----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:28:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 5.366867061689879 0.000000000000000 0.000000000000000 b 0.000000000000000 8.146073530000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): *1 Be 0.57093689276635 0.04468612286780 0.31733441529858 9.012 2 Be 0.42906310723365 0.54468612286780 0.18266558470142 9.012 3 Be 0.42906310723365 0.95531387713220 0.68266558470142 9.012 4 Be 0.57093689276635 0.45531387713220 0.81733441529858 9.012 *5 F 0.78781636504595 0.91313843477283 0.82195293349152 18.998 6 F 0.21218363495405 0.41313843477283 0.67804706650848 18.998 7 F 0.21218363495405 0.08686156522717 0.17804706650848 18.998 8 F 0.78781636504595 0.58686156522717 0.32195293349152 18.998 *9 F 0.58885827742219 0.62500606508755 0.90408140651616 18.998 10 F 0.41114172257781 0.12500606508755 0.59591859348384 18.998 11 F 0.41114172257781 0.37499393491245 0.09591859348384 18.998 12 F 0.58885827742219 0.87499393491245 0.40408140651616 18.998 *13 F 0.23697386379622 0.81808714849369 0.52883862741631 18.998 14 F 0.76302613620378 0.31808714849369 0.97116137258369 18.998 15 F 0.76302613620378 0.18191285150632 0.47116137258369 18.998 16 F 0.23697386379622 0.68191285150631 0.02883862741631 18.998 *17 F 0.29342623695781 0.96098960641738 0.80058788825241 18.998 18 F 0.70657376304219 0.46098960641738 0.69941211174759 18.998 19 F 0.70657376304219 0.03901039358262 0.19941211174759 18.998 20 F 0.29342623695781 0.53901039358262 0.30058788825241 18.998 *21 Sr 0.97648320882630 0.69324127074597 0.67111216036186 87.620 22 Sr 0.02351679117370 0.19324127074597 0.82888783963814 87.620 23 Sr 0.02351679117370 0.30675872925403 0.32888783963814 87.620 24 Sr 0.97648320882630 0.80675872925403 0.17111216036186 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.366867061689879 0.000000000000000 0.000000000000000 b 0.000000000000000 8.146073530000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): *1 Be 0.57093689276635 0.04468612286780 0.31733441529858 9.012 > 1 2 Be 0.42906310723365 0.54468612286780 0.18266558470142 9.012 > 2 3 Be 0.42906310723365 0.95531387713220 0.68266558470142 9.012 > 3 4 Be 0.57093689276635 0.45531387713220 0.81733441529858 9.012 > 4 *5 F 0.78781636504595 0.91313843477283 0.82195293349152 18.998 > 5 6 F 0.21218363495405 0.41313843477283 0.67804706650848 18.998 > 6 7 F 0.21218363495405 0.08686156522717 0.17804706650848 18.998 > 7 8 F 0.78781636504595 0.58686156522717 0.32195293349152 18.998 > 8 *9 F 0.58885827742219 0.62500606508755 0.90408140651616 18.998 > 9 10 F 0.41114172257781 0.12500606508755 0.59591859348384 18.998 > 10 11 F 0.41114172257781 0.37499393491245 0.09591859348384 18.998 > 11 12 F 0.58885827742219 0.87499393491245 0.40408140651616 18.998 > 12 *13 F 0.23697386379622 0.81808714849369 0.52883862741631 18.998 > 13 14 F 0.76302613620378 0.31808714849369 0.97116137258369 18.998 > 14 15 F 0.76302613620378 0.18191285150632 0.47116137258369 18.998 > 15 16 F 0.23697386379622 0.68191285150631 0.02883862741631 18.998 > 16 *17 F 0.29342623695781 0.96098960641738 0.80058788825241 18.998 > 17 18 F 0.70657376304219 0.46098960641738 0.69941211174759 18.998 > 18 19 F 0.70657376304219 0.03901039358262 0.19941211174759 18.998 > 19 20 F 0.29342623695781 0.53901039358262 0.30058788825241 18.998 > 20 *21 Sr 0.97648320882630 0.69324127074597 0.67111216036186 87.620 > 21 22 Sr 0.02351679117370 0.19324127074597 0.82888783963814 87.620 > 22 23 Sr 0.02351679117370 0.30675872925403 0.32888783963814 87.620 > 23 24 Sr 0.97648320882630 0.80675872925403 0.17111216036186 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.733734123379758 0.000000000000000 0.000000000000000 b 0.000000000000000 16.292147060000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): *1 Be 0.28546844638317 0.02234306143390 0.31733441529858 9.012 > 1 2 Be 0.78546844638317 0.02234306143390 0.31733441529858 9.012 > 1 3 Be 0.28546844638317 0.52234306143390 0.31733441529858 9.012 > 1 4 Be 0.78546844638317 0.52234306143390 0.31733441529858 9.012 > 1 5 Be 0.21453155361683 0.27234306143390 0.18266558470142 9.012 > 2 6 Be 0.71453155361683 0.27234306143390 0.18266558470142 9.012 > 2 7 Be 0.21453155361683 0.77234306143390 0.18266558470142 9.012 > 2 8 Be 0.71453155361683 0.77234306143390 0.18266558470142 9.012 > 2 9 Be 0.21453155361683 0.47765693856610 0.68266558470142 9.012 > 3 10 Be 0.71453155361683 0.47765693856610 0.68266558470142 9.012 > 3 11 Be 0.21453155361683 0.97765693856610 0.68266558470142 9.012 > 3 12 Be 0.71453155361683 0.97765693856610 0.68266558470142 9.012 > 3 13 Be 0.28546844638317 0.22765693856610 0.81733441529858 9.012 > 4 14 Be 0.78546844638317 0.22765693856610 0.81733441529858 9.012 > 4 15 Be 0.28546844638317 0.72765693856610 0.81733441529858 9.012 > 4 16 Be 0.78546844638317 0.72765693856610 0.81733441529858 9.012 > 4 *17 F 0.39390818252297 0.45656921738641 0.82195293349152 18.998 > 5 18 F 0.89390818252297 0.45656921738641 0.82195293349152 18.998 > 5 19 F 0.39390818252297 0.95656921738641 0.82195293349152 18.998 > 5 20 F 0.89390818252297 0.95656921738641 0.82195293349152 18.998 > 5 21 F 0.10609181747703 0.20656921738641 0.67804706650848 18.998 > 6 22 F 0.60609181747703 0.20656921738641 0.67804706650848 18.998 > 6 23 F 0.10609181747703 0.70656921738641 0.67804706650848 18.998 > 6 24 F 0.60609181747703 0.70656921738641 0.67804706650848 18.998 > 6 25 F 0.10609181747703 0.04343078261359 0.17804706650848 18.998 > 7 26 F 0.60609181747703 0.04343078261359 0.17804706650848 18.998 > 7 27 F 0.10609181747703 0.54343078261359 0.17804706650848 18.998 > 7 28 F 0.60609181747703 0.54343078261359 0.17804706650848 18.998 > 7 29 F 0.39390818252297 0.29343078261359 0.32195293349152 18.998 > 8 30 F 0.89390818252297 0.29343078261359 0.32195293349152 18.998 > 8 31 F 0.39390818252297 0.79343078261359 0.32195293349152 18.998 > 8 32 F 0.89390818252297 0.79343078261359 0.32195293349152 18.998 > 8 *33 F 0.29442913871110 0.31250303254378 0.90408140651616 18.998 > 9 34 F 0.79442913871110 0.31250303254378 0.90408140651616 18.998 > 9 35 F 0.29442913871110 0.81250303254378 0.90408140651616 18.998 > 9 36 F 0.79442913871110 0.81250303254378 0.90408140651616 18.998 > 9 37 F 0.20557086128890 0.06250303254378 0.59591859348384 18.998 > 10 38 F 0.70557086128890 0.06250303254378 0.59591859348384 18.998 > 10 39 F 0.20557086128890 0.56250303254378 0.59591859348384 18.998 > 10 40 F 0.70557086128890 0.56250303254378 0.59591859348384 18.998 > 10 41 F 0.20557086128890 0.18749696745622 0.09591859348384 18.998 > 11 42 F 0.70557086128890 0.18749696745622 0.09591859348384 18.998 > 11 43 F 0.20557086128890 0.68749696745622 0.09591859348384 18.998 > 11 44 F 0.70557086128890 0.68749696745622 0.09591859348384 18.998 > 11 45 F 0.29442913871110 0.43749696745622 0.40408140651616 18.998 > 12 46 F 0.79442913871110 0.43749696745622 0.40408140651616 18.998 > 12 47 F 0.29442913871110 0.93749696745622 0.40408140651616 18.998 > 12 48 F 0.79442913871110 0.93749696745622 0.40408140651616 18.998 > 12 *49 F 0.11848693189811 0.40904357424684 0.52883862741631 18.998 > 13 50 F 0.61848693189811 0.40904357424684 0.52883862741631 18.998 > 13 51 F 0.11848693189811 0.90904357424684 0.52883862741631 18.998 > 13 52 F 0.61848693189811 0.90904357424684 0.52883862741631 18.998 > 13 53 F 0.38151306810189 0.15904357424684 0.97116137258369 18.998 > 14 54 F 0.88151306810189 0.15904357424684 0.97116137258369 18.998 > 14 55 F 0.38151306810189 0.65904357424684 0.97116137258369 18.998 > 14 56 F 0.88151306810189 0.65904357424684 0.97116137258369 18.998 > 14 57 F 0.38151306810189 0.09095642575316 0.47116137258369 18.998 > 15 58 F 0.88151306810189 0.09095642575316 0.47116137258369 18.998 > 15 59 F 0.38151306810189 0.59095642575316 0.47116137258369 18.998 > 15 60 F 0.88151306810189 0.59095642575316 0.47116137258369 18.998 > 15 61 F 0.11848693189811 0.34095642575316 0.02883862741631 18.998 > 16 62 F 0.61848693189811 0.34095642575316 0.02883862741631 18.998 > 16 63 F 0.11848693189811 0.84095642575316 0.02883862741631 18.998 > 16 64 F 0.61848693189811 0.84095642575316 0.02883862741631 18.998 > 16 *65 F 0.14671311847890 0.48049480320869 0.80058788825241 18.998 > 17 66 F 0.64671311847890 0.48049480320869 0.80058788825241 18.998 > 17 67 F 0.14671311847890 0.98049480320869 0.80058788825241 18.998 > 17 68 F 0.64671311847890 0.98049480320869 0.80058788825241 18.998 > 17 69 F 0.35328688152110 0.23049480320869 0.69941211174759 18.998 > 18 70 F 0.85328688152110 0.23049480320869 0.69941211174759 18.998 > 18 71 F 0.35328688152110 0.73049480320869 0.69941211174759 18.998 > 18 72 F 0.85328688152110 0.73049480320869 0.69941211174759 18.998 > 18 73 F 0.35328688152110 0.01950519679131 0.19941211174759 18.998 > 19 74 F 0.85328688152110 0.01950519679131 0.19941211174759 18.998 > 19 75 F 0.35328688152110 0.51950519679131 0.19941211174759 18.998 > 19 76 F 0.85328688152110 0.51950519679131 0.19941211174759 18.998 > 19 77 F 0.14671311847890 0.26950519679131 0.30058788825241 18.998 > 20 78 F 0.64671311847890 0.26950519679131 0.30058788825241 18.998 > 20 79 F 0.14671311847890 0.76950519679131 0.30058788825241 18.998 > 20 80 F 0.64671311847890 0.76950519679131 0.30058788825241 18.998 > 20 *81 Sr 0.48824160441315 0.34662063537299 0.67111216036186 87.620 > 21 82 Sr 0.98824160441315 0.34662063537299 0.67111216036186 87.620 > 21 83 Sr 0.48824160441315 0.84662063537299 0.67111216036186 87.620 > 21 84 Sr 0.98824160441315 0.84662063537299 0.67111216036186 87.620 > 21 85 Sr 0.01175839558685 0.09662063537299 0.82888783963814 87.620 > 22 86 Sr 0.51175839558685 0.09662063537299 0.82888783963814 87.620 > 22 87 Sr 0.01175839558685 0.59662063537299 0.82888783963814 87.620 > 22 88 Sr 0.51175839558685 0.59662063537299 0.82888783963814 87.620 > 22 89 Sr 0.01175839558685 0.15337936462701 0.32888783963814 87.620 > 23 90 Sr 0.51175839558685 0.15337936462701 0.32888783963814 87.620 > 23 91 Sr 0.01175839558685 0.65337936462701 0.32888783963814 87.620 > 23 92 Sr 0.51175839558685 0.65337936462701 0.32888783963814 87.620 > 23 93 Sr 0.48824160441315 0.40337936462701 0.17111216036186 87.620 > 24 94 Sr 0.98824160441315 0.40337936462701 0.17111216036186 87.620 > 24 95 Sr 0.48824160441315 0.90337936462701 0.17111216036186 87.620 > 24 96 Sr 0.98824160441315 0.90337936462701 0.17111216036186 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1777361 0.0000000 -0.0050292 0.0000000 2.2059830 0.0000000 -0.0050302 0.0000000 2.1939203 -------------------------- Born effective charges -------------------------- 1 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 2 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 3 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 4 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 5 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 6 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 7 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 8 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 9 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 10 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 11 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 12 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 13 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 14 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 15 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 16 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 17 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 18 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 19 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 20 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 21 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 22 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 23 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 24 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 ---------------------------------------------------------------------------- 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) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 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) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 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, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.715 Solver_block: 200 / 720 - Time: 0.650 Solver_block: 300 / 720 - Time: 0.641 Solver_block: 400 / 720 - Time: 0.648 Solver_block: 500 / 720 - Time: 0.638 Solver_block: 600 / 720 - Time: 0.649 Solver_block: 700 / 720 - Time: 0.641 Solver_block: 720 / 720 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.908 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 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) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 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, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), 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 2026-01-07 23:29:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:29:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.366867061689879 0.000000000000000 0.000000000000000 b 0.000000000000000 8.146073530000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): 1 Be 0.57093689276635 0.04468612286780 0.31733441529858 9.012 2 Be 0.42906310723365 0.54468612286780 0.18266558470142 9.012 3 Be 0.42906310723365 0.95531387713220 0.68266558470142 9.012 4 Be 0.57093689276635 0.45531387713220 0.81733441529858 9.012 5 F 0.78781636504595 0.91313843477283 0.82195293349152 18.998 6 F 0.21218363495405 0.41313843477283 0.67804706650848 18.998 7 F 0.21218363495405 0.08686156522717 0.17804706650848 18.998 8 F 0.78781636504595 0.58686156522717 0.32195293349152 18.998 9 F 0.58885827742219 0.62500606508755 0.90408140651616 18.998 10 F 0.41114172257781 0.12500606508755 0.59591859348384 18.998 11 F 0.41114172257781 0.37499393491245 0.09591859348384 18.998 12 F 0.58885827742219 0.87499393491245 0.40408140651616 18.998 13 F 0.23697386379622 0.81808714849369 0.52883862741631 18.998 14 F 0.76302613620378 0.31808714849369 0.97116137258369 18.998 15 F 0.76302613620378 0.18191285150632 0.47116137258369 18.998 16 F 0.23697386379622 0.68191285150631 0.02883862741631 18.998 17 F 0.29342623695781 0.96098960641738 0.80058788825241 18.998 18 F 0.70657376304219 0.46098960641738 0.69941211174759 18.998 19 F 0.70657376304219 0.03901039358262 0.19941211174759 18.998 20 F 0.29342623695781 0.53901039358262 0.30058788825241 18.998 21 Sr 0.97648320882630 0.69324127074597 0.67111216036186 87.620 22 Sr 0.02351679117370 0.19324127074597 0.82888783963814 87.620 23 Sr 0.02351679117370 0.30675872925403 0.32888783963814 87.620 24 Sr 0.97648320882630 0.80675872925403 0.17111216036186 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.733734123379758 0.000000000000000 0.000000000000000 b 0.000000000000000 16.292147060000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): 1 Be 0.28546844638317 0.02234306143390 0.31733441529858 9.012 > 1 2 Be 0.78546844638317 0.02234306143390 0.31733441529858 9.012 > 1 3 Be 0.28546844638317 0.52234306143390 0.31733441529858 9.012 > 1 4 Be 0.78546844638317 0.52234306143390 0.31733441529858 9.012 > 1 5 Be 0.21453155361683 0.27234306143390 0.18266558470142 9.012 > 5 6 Be 0.71453155361683 0.27234306143390 0.18266558470142 9.012 > 5 7 Be 0.21453155361683 0.77234306143390 0.18266558470142 9.012 > 5 8 Be 0.71453155361683 0.77234306143390 0.18266558470142 9.012 > 5 9 Be 0.21453155361683 0.47765693856610 0.68266558470142 9.012 > 9 10 Be 0.71453155361683 0.47765693856610 0.68266558470142 9.012 > 9 11 Be 0.21453155361683 0.97765693856610 0.68266558470142 9.012 > 9 12 Be 0.71453155361683 0.97765693856610 0.68266558470142 9.012 > 9 13 Be 0.28546844638317 0.22765693856610 0.81733441529858 9.012 > 13 14 Be 0.78546844638317 0.22765693856610 0.81733441529858 9.012 > 13 15 Be 0.28546844638317 0.72765693856610 0.81733441529858 9.012 > 13 16 Be 0.78546844638317 0.72765693856610 0.81733441529858 9.012 > 13 17 F 0.39390818252297 0.45656921738641 0.82195293349152 18.998 > 17 18 F 0.89390818252297 0.45656921738641 0.82195293349152 18.998 > 17 19 F 0.39390818252297 0.95656921738641 0.82195293349152 18.998 > 17 20 F 0.89390818252297 0.95656921738641 0.82195293349152 18.998 > 17 21 F 0.10609181747703 0.20656921738641 0.67804706650848 18.998 > 21 22 F 0.60609181747703 0.20656921738641 0.67804706650848 18.998 > 21 23 F 0.10609181747703 0.70656921738641 0.67804706650848 18.998 > 21 24 F 0.60609181747703 0.70656921738641 0.67804706650848 18.998 > 21 25 F 0.10609181747703 0.04343078261359 0.17804706650848 18.998 > 25 26 F 0.60609181747703 0.04343078261359 0.17804706650848 18.998 > 25 27 F 0.10609181747703 0.54343078261359 0.17804706650848 18.998 > 25 28 F 0.60609181747703 0.54343078261359 0.17804706650848 18.998 > 25 29 F 0.39390818252297 0.29343078261359 0.32195293349152 18.998 > 29 30 F 0.89390818252297 0.29343078261359 0.32195293349152 18.998 > 29 31 F 0.39390818252297 0.79343078261359 0.32195293349152 18.998 > 29 32 F 0.89390818252297 0.79343078261359 0.32195293349152 18.998 > 29 33 F 0.29442913871110 0.31250303254378 0.90408140651616 18.998 > 33 34 F 0.79442913871110 0.31250303254378 0.90408140651616 18.998 > 33 35 F 0.29442913871110 0.81250303254378 0.90408140651616 18.998 > 33 36 F 0.79442913871110 0.81250303254378 0.90408140651616 18.998 > 33 37 F 0.20557086128890 0.06250303254378 0.59591859348384 18.998 > 37 38 F 0.70557086128890 0.06250303254378 0.59591859348384 18.998 > 37 39 F 0.20557086128890 0.56250303254378 0.59591859348384 18.998 > 37 40 F 0.70557086128890 0.56250303254378 0.59591859348384 18.998 > 37 41 F 0.20557086128890 0.18749696745622 0.09591859348384 18.998 > 41 42 F 0.70557086128890 0.18749696745622 0.09591859348384 18.998 > 41 43 F 0.20557086128890 0.68749696745622 0.09591859348384 18.998 > 41 44 F 0.70557086128890 0.68749696745622 0.09591859348384 18.998 > 41 45 F 0.29442913871110 0.43749696745622 0.40408140651616 18.998 > 45 46 F 0.79442913871110 0.43749696745622 0.40408140651616 18.998 > 45 47 F 0.29442913871110 0.93749696745622 0.40408140651616 18.998 > 45 48 F 0.79442913871110 0.93749696745622 0.40408140651616 18.998 > 45 49 F 0.11848693189811 0.40904357424684 0.52883862741631 18.998 > 49 50 F 0.61848693189811 0.40904357424684 0.52883862741631 18.998 > 49 51 F 0.11848693189811 0.90904357424684 0.52883862741631 18.998 > 49 52 F 0.61848693189811 0.90904357424684 0.52883862741631 18.998 > 49 53 F 0.38151306810189 0.15904357424684 0.97116137258369 18.998 > 53 54 F 0.88151306810189 0.15904357424684 0.97116137258369 18.998 > 53 55 F 0.38151306810189 0.65904357424684 0.97116137258369 18.998 > 53 56 F 0.88151306810189 0.65904357424684 0.97116137258369 18.998 > 53 57 F 0.38151306810189 0.09095642575316 0.47116137258369 18.998 > 57 58 F 0.88151306810189 0.09095642575316 0.47116137258369 18.998 > 57 59 F 0.38151306810189 0.59095642575316 0.47116137258369 18.998 > 57 60 F 0.88151306810189 0.59095642575316 0.47116137258369 18.998 > 57 61 F 0.11848693189811 0.34095642575316 0.02883862741631 18.998 > 61 62 F 0.61848693189811 0.34095642575316 0.02883862741631 18.998 > 61 63 F 0.11848693189811 0.84095642575316 0.02883862741631 18.998 > 61 64 F 0.61848693189811 0.84095642575316 0.02883862741631 18.998 > 61 65 F 0.14671311847890 0.48049480320869 0.80058788825241 18.998 > 65 66 F 0.64671311847890 0.48049480320869 0.80058788825241 18.998 > 65 67 F 0.14671311847890 0.98049480320869 0.80058788825241 18.998 > 65 68 F 0.64671311847890 0.98049480320869 0.80058788825241 18.998 > 65 69 F 0.35328688152110 0.23049480320869 0.69941211174759 18.998 > 69 70 F 0.85328688152110 0.23049480320869 0.69941211174759 18.998 > 69 71 F 0.35328688152110 0.73049480320869 0.69941211174759 18.998 > 69 72 F 0.85328688152110 0.73049480320869 0.69941211174759 18.998 > 69 73 F 0.35328688152110 0.01950519679131 0.19941211174759 18.998 > 73 74 F 0.85328688152110 0.01950519679131 0.19941211174759 18.998 > 73 75 F 0.35328688152110 0.51950519679131 0.19941211174759 18.998 > 73 76 F 0.85328688152110 0.51950519679131 0.19941211174759 18.998 > 73 77 F 0.14671311847890 0.26950519679131 0.30058788825241 18.998 > 77 78 F 0.64671311847890 0.26950519679131 0.30058788825241 18.998 > 77 79 F 0.14671311847890 0.76950519679131 0.30058788825241 18.998 > 77 80 F 0.64671311847890 0.76950519679131 0.30058788825241 18.998 > 77 81 Sr 0.48824160441315 0.34662063537299 0.67111216036186 87.620 > 81 82 Sr 0.98824160441315 0.34662063537299 0.67111216036186 87.620 > 81 83 Sr 0.48824160441315 0.84662063537299 0.67111216036186 87.620 > 81 84 Sr 0.98824160441315 0.84662063537299 0.67111216036186 87.620 > 81 85 Sr 0.01175839558685 0.09662063537299 0.82888783963814 87.620 > 85 86 Sr 0.51175839558685 0.09662063537299 0.82888783963814 87.620 > 85 87 Sr 0.01175839558685 0.59662063537299 0.82888783963814 87.620 > 85 88 Sr 0.51175839558685 0.59662063537299 0.82888783963814 87.620 > 85 89 Sr 0.01175839558685 0.15337936462701 0.32888783963814 87.620 > 89 90 Sr 0.51175839558685 0.15337936462701 0.32888783963814 87.620 > 89 91 Sr 0.01175839558685 0.65337936462701 0.32888783963814 87.620 > 89 92 Sr 0.51175839558685 0.65337936462701 0.32888783963814 87.620 > 89 93 Sr 0.48824160441315 0.40337936462701 0.17111216036186 87.620 > 93 94 Sr 0.98824160441315 0.40337936462701 0.17111216036186 87.620 > 93 95 Sr 0.48824160441315 0.90337936462701 0.17111216036186 87.620 > 93 96 Sr 0.98824160441315 0.90337936462701 0.17111216036186 87.620 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1777361 0.0000000 -0.0050292 0.0000000 2.2059830 0.0000000 -0.0050302 0.0000000 2.1939203 -------------------------- Born effective charges -------------------------- 1 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 2 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 3 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 4 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 5 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 6 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 7 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 8 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 9 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 10 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 11 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 12 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 13 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 14 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 15 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 16 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 17 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 18 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 19 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 20 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 21 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 22 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 23 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 24 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 ---------------------------------------------------------------------------- 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-07 23:29:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:29:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.366867061689879 0.000000000000000 0.000000000000000 b 0.000000000000000 8.146073530000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): 1 Be 0.57093689276635 0.04468612286780 0.31733441529858 9.012 2 Be 0.42906310723365 0.54468612286780 0.18266558470142 9.012 3 Be 0.42906310723365 0.95531387713220 0.68266558470142 9.012 4 Be 0.57093689276635 0.45531387713220 0.81733441529858 9.012 5 F 0.78781636504595 0.91313843477283 0.82195293349152 18.998 6 F 0.21218363495405 0.41313843477283 0.67804706650848 18.998 7 F 0.21218363495405 0.08686156522717 0.17804706650848 18.998 8 F 0.78781636504595 0.58686156522717 0.32195293349152 18.998 9 F 0.58885827742219 0.62500606508755 0.90408140651616 18.998 10 F 0.41114172257781 0.12500606508755 0.59591859348384 18.998 11 F 0.41114172257781 0.37499393491245 0.09591859348384 18.998 12 F 0.58885827742219 0.87499393491245 0.40408140651616 18.998 13 F 0.23697386379622 0.81808714849369 0.52883862741631 18.998 14 F 0.76302613620378 0.31808714849369 0.97116137258369 18.998 15 F 0.76302613620378 0.18191285150632 0.47116137258369 18.998 16 F 0.23697386379622 0.68191285150631 0.02883862741631 18.998 17 F 0.29342623695781 0.96098960641738 0.80058788825241 18.998 18 F 0.70657376304219 0.46098960641738 0.69941211174759 18.998 19 F 0.70657376304219 0.03901039358262 0.19941211174759 18.998 20 F 0.29342623695781 0.53901039358262 0.30058788825241 18.998 21 Sr 0.97648320882630 0.69324127074597 0.67111216036186 87.620 22 Sr 0.02351679117370 0.19324127074597 0.82888783963814 87.620 23 Sr 0.02351679117370 0.30675872925403 0.32888783963814 87.620 24 Sr 0.97648320882630 0.80675872925403 0.17111216036186 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.733734123379758 0.000000000000000 0.000000000000000 b 0.000000000000000 16.292147060000001 0.000000000000000 c -5.195958109242540 0.000000000000000 6.785397071048010 Atomic positions (fractional): 1 Be 0.28546844638317 0.02234306143390 0.31733441529858 9.012 > 1 2 Be 0.78546844638317 0.02234306143390 0.31733441529858 9.012 > 1 3 Be 0.28546844638317 0.52234306143390 0.31733441529858 9.012 > 1 4 Be 0.78546844638317 0.52234306143390 0.31733441529858 9.012 > 1 5 Be 0.21453155361683 0.27234306143390 0.18266558470142 9.012 > 5 6 Be 0.71453155361683 0.27234306143390 0.18266558470142 9.012 > 5 7 Be 0.21453155361683 0.77234306143390 0.18266558470142 9.012 > 5 8 Be 0.71453155361683 0.77234306143390 0.18266558470142 9.012 > 5 9 Be 0.21453155361683 0.47765693856610 0.68266558470142 9.012 > 9 10 Be 0.71453155361683 0.47765693856610 0.68266558470142 9.012 > 9 11 Be 0.21453155361683 0.97765693856610 0.68266558470142 9.012 > 9 12 Be 0.71453155361683 0.97765693856610 0.68266558470142 9.012 > 9 13 Be 0.28546844638317 0.22765693856610 0.81733441529858 9.012 > 13 14 Be 0.78546844638317 0.22765693856610 0.81733441529858 9.012 > 13 15 Be 0.28546844638317 0.72765693856610 0.81733441529858 9.012 > 13 16 Be 0.78546844638317 0.72765693856610 0.81733441529858 9.012 > 13 17 F 0.39390818252297 0.45656921738641 0.82195293349152 18.998 > 17 18 F 0.89390818252297 0.45656921738641 0.82195293349152 18.998 > 17 19 F 0.39390818252297 0.95656921738641 0.82195293349152 18.998 > 17 20 F 0.89390818252297 0.95656921738641 0.82195293349152 18.998 > 17 21 F 0.10609181747703 0.20656921738641 0.67804706650848 18.998 > 21 22 F 0.60609181747703 0.20656921738641 0.67804706650848 18.998 > 21 23 F 0.10609181747703 0.70656921738641 0.67804706650848 18.998 > 21 24 F 0.60609181747703 0.70656921738641 0.67804706650848 18.998 > 21 25 F 0.10609181747703 0.04343078261359 0.17804706650848 18.998 > 25 26 F 0.60609181747703 0.04343078261359 0.17804706650848 18.998 > 25 27 F 0.10609181747703 0.54343078261359 0.17804706650848 18.998 > 25 28 F 0.60609181747703 0.54343078261359 0.17804706650848 18.998 > 25 29 F 0.39390818252297 0.29343078261359 0.32195293349152 18.998 > 29 30 F 0.89390818252297 0.29343078261359 0.32195293349152 18.998 > 29 31 F 0.39390818252297 0.79343078261359 0.32195293349152 18.998 > 29 32 F 0.89390818252297 0.79343078261359 0.32195293349152 18.998 > 29 33 F 0.29442913871110 0.31250303254378 0.90408140651616 18.998 > 33 34 F 0.79442913871110 0.31250303254378 0.90408140651616 18.998 > 33 35 F 0.29442913871110 0.81250303254378 0.90408140651616 18.998 > 33 36 F 0.79442913871110 0.81250303254378 0.90408140651616 18.998 > 33 37 F 0.20557086128890 0.06250303254378 0.59591859348384 18.998 > 37 38 F 0.70557086128890 0.06250303254378 0.59591859348384 18.998 > 37 39 F 0.20557086128890 0.56250303254378 0.59591859348384 18.998 > 37 40 F 0.70557086128890 0.56250303254378 0.59591859348384 18.998 > 37 41 F 0.20557086128890 0.18749696745622 0.09591859348384 18.998 > 41 42 F 0.70557086128890 0.18749696745622 0.09591859348384 18.998 > 41 43 F 0.20557086128890 0.68749696745622 0.09591859348384 18.998 > 41 44 F 0.70557086128890 0.68749696745622 0.09591859348384 18.998 > 41 45 F 0.29442913871110 0.43749696745622 0.40408140651616 18.998 > 45 46 F 0.79442913871110 0.43749696745622 0.40408140651616 18.998 > 45 47 F 0.29442913871110 0.93749696745622 0.40408140651616 18.998 > 45 48 F 0.79442913871110 0.93749696745622 0.40408140651616 18.998 > 45 49 F 0.11848693189811 0.40904357424684 0.52883862741631 18.998 > 49 50 F 0.61848693189811 0.40904357424684 0.52883862741631 18.998 > 49 51 F 0.11848693189811 0.90904357424684 0.52883862741631 18.998 > 49 52 F 0.61848693189811 0.90904357424684 0.52883862741631 18.998 > 49 53 F 0.38151306810189 0.15904357424684 0.97116137258369 18.998 > 53 54 F 0.88151306810189 0.15904357424684 0.97116137258369 18.998 > 53 55 F 0.38151306810189 0.65904357424684 0.97116137258369 18.998 > 53 56 F 0.88151306810189 0.65904357424684 0.97116137258369 18.998 > 53 57 F 0.38151306810189 0.09095642575316 0.47116137258369 18.998 > 57 58 F 0.88151306810189 0.09095642575316 0.47116137258369 18.998 > 57 59 F 0.38151306810189 0.59095642575316 0.47116137258369 18.998 > 57 60 F 0.88151306810189 0.59095642575316 0.47116137258369 18.998 > 57 61 F 0.11848693189811 0.34095642575316 0.02883862741631 18.998 > 61 62 F 0.61848693189811 0.34095642575316 0.02883862741631 18.998 > 61 63 F 0.11848693189811 0.84095642575316 0.02883862741631 18.998 > 61 64 F 0.61848693189811 0.84095642575316 0.02883862741631 18.998 > 61 65 F 0.14671311847890 0.48049480320869 0.80058788825241 18.998 > 65 66 F 0.64671311847890 0.48049480320869 0.80058788825241 18.998 > 65 67 F 0.14671311847890 0.98049480320869 0.80058788825241 18.998 > 65 68 F 0.64671311847890 0.98049480320869 0.80058788825241 18.998 > 65 69 F 0.35328688152110 0.23049480320869 0.69941211174759 18.998 > 69 70 F 0.85328688152110 0.23049480320869 0.69941211174759 18.998 > 69 71 F 0.35328688152110 0.73049480320869 0.69941211174759 18.998 > 69 72 F 0.85328688152110 0.73049480320869 0.69941211174759 18.998 > 69 73 F 0.35328688152110 0.01950519679131 0.19941211174759 18.998 > 73 74 F 0.85328688152110 0.01950519679131 0.19941211174759 18.998 > 73 75 F 0.35328688152110 0.51950519679131 0.19941211174759 18.998 > 73 76 F 0.85328688152110 0.51950519679131 0.19941211174759 18.998 > 73 77 F 0.14671311847890 0.26950519679131 0.30058788825241 18.998 > 77 78 F 0.64671311847890 0.26950519679131 0.30058788825241 18.998 > 77 79 F 0.14671311847890 0.76950519679131 0.30058788825241 18.998 > 77 80 F 0.64671311847890 0.76950519679131 0.30058788825241 18.998 > 77 81 Sr 0.48824160441315 0.34662063537299 0.67111216036186 87.620 > 81 82 Sr 0.98824160441315 0.34662063537299 0.67111216036186 87.620 > 81 83 Sr 0.48824160441315 0.84662063537299 0.67111216036186 87.620 > 81 84 Sr 0.98824160441315 0.84662063537299 0.67111216036186 87.620 > 81 85 Sr 0.01175839558685 0.09662063537299 0.82888783963814 87.620 > 85 86 Sr 0.51175839558685 0.09662063537299 0.82888783963814 87.620 > 85 87 Sr 0.01175839558685 0.59662063537299 0.82888783963814 87.620 > 85 88 Sr 0.51175839558685 0.59662063537299 0.82888783963814 87.620 > 85 89 Sr 0.01175839558685 0.15337936462701 0.32888783963814 87.620 > 89 90 Sr 0.51175839558685 0.15337936462701 0.32888783963814 87.620 > 89 91 Sr 0.01175839558685 0.65337936462701 0.32888783963814 87.620 > 89 92 Sr 0.51175839558685 0.65337936462701 0.32888783963814 87.620 > 89 93 Sr 0.48824160441315 0.40337936462701 0.17111216036186 87.620 > 93 94 Sr 0.98824160441315 0.40337936462701 0.17111216036186 87.620 > 93 95 Sr 0.48824160441315 0.90337936462701 0.17111216036186 87.620 > 93 96 Sr 0.98824160441315 0.90337936462701 0.17111216036186 87.620 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1777361 0.0000000 -0.0050292 0.0000000 2.2059830 0.0000000 -0.0050302 0.0000000 2.1939203 -------------------------- Born effective charges -------------------------- 1 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 2 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 3 Be 1.8497186 0.0893304 0.0171560 0.0891812 1.7876696 -0.0050235 0.0443104 -0.0104481 1.6853506 4 Be 1.8497186 -0.0893304 0.0171560 -0.0891812 1.7876696 0.0050235 0.0443104 0.0104481 1.6853506 5 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 6 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 7 F -1.1194127 0.0265480 -0.1104788 0.0146800 -1.0143914 0.0828651 -0.1181543 0.0888390 -1.0667058 8 F -1.1194127 -0.0265480 -0.1104788 -0.0146800 -1.0143914 -0.0828651 -0.1181543 -0.0888390 -1.0667058 9 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 10 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 11 F -0.9146599 0.0672068 -0.1159875 0.0660331 -1.2255148 -0.2551363 -0.1166052 -0.2537304 -1.0408060 12 F -0.9146599 -0.0672068 -0.1159875 -0.0660331 -1.2255148 0.2551363 -0.1166052 0.2537304 -1.0408060 13 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 14 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 15 F -0.9483091 -0.1353812 0.0945004 -0.1389428 -0.9773605 -0.1944800 0.0819406 -0.1801108 -1.2469136 16 F -0.9483091 0.1353812 0.0945004 0.1389428 -0.9773605 0.1944800 0.0819406 0.1801108 -1.2469136 17 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 18 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 19 F -1.2422581 0.0981928 0.1532863 0.0866790 -1.0792524 -0.0833211 0.1554775 -0.0856615 -0.8680848 20 F -1.2422581 -0.0981928 0.1532863 -0.0866790 -1.0792524 0.0833211 0.1554775 0.0856615 -0.8680848 21 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 22 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 23 Sr 2.3749211 0.0276012 -0.0384764 0.0419048 2.5088496 -0.0937557 -0.0469689 -0.1249791 2.5371596 24 Sr 2.3749211 -0.0276012 -0.0384764 -0.0419048 2.5088496 0.0937557 -0.0469689 0.1249791 2.5371596 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 12 6 7 ] 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: 0.62, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 12.628 ( 0.000 0.000 0.000) 0.000 13.244 ( 0.000 0.000 0.000) 0.000 16.609 ( 0.000 0.000 0.000) 0.000 16.824 ( 0.000 0.000 0.000) 0.000 16.887 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 22.805 ( 0.000 0.000 0.000) 0.000 23.122 ( 0.000 0.000 0.000) 0.000 23.156 ( 0.000 0.000 0.000) 0.000 23.371 ( 0.000 0.000 0.000) 0.000 23.377 ( 0.000 0.000 0.000) 0.000 23.479 ( 0.000 0.000 0.000) 0.000 23.658 ( 0.000 0.000 0.000) 0.000 25.020 ( 0.000 0.000 0.000) 0.000 25.272 ( 0.000 0.000 0.000) 0.000 25.569 ( 0.000 0.000 0.000) 0.000 25.973 ( 0.000 0.000 0.000) 0.000 27.424 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 29.578 0.000 6.465) 30.276 0.601 ( 22.504 0.000 18.930) 29.406 0.792 ( 24.384 0.000 33.723) 41.616 1.883 ( 10.788 0.000 -2.363) 11.043 2.114 ( 3.288 0.000 4.276) 5.394 2.330 ( 4.056 0.000 -0.648) 4.108 2.559 ( 9.572 0.000 7.544) 12.187 2.688 ( 3.027 0.000 -2.096) 3.682 2.862 ( 0.663 0.000 -0.097) 0.670 2.972 ( 5.166 0.000 0.962) 5.255 3.232 ( 5.744 0.000 -6.389) 8.591 3.331 ( 1.610 0.000 6.196) 6.402 3.426 ( 6.293 0.000 -9.263) 11.199 3.668 ( -1.405 0.000 -0.695) 1.567 3.772 ( 2.851 0.000 -3.964) 4.883 3.945 ( 3.628 0.000 5.385) 6.494 4.064 ( 4.304 0.000 -1.737) 4.642 4.122 ( -6.966 0.000 -5.176) 8.679 4.296 ( -4.621 0.000 -4.824) 6.680 4.354 ( -1.426 0.000 -1.007) 1.746 4.447 ( -0.023 0.000 -0.549) 0.549 4.484 ( 0.739 0.000 1.640) 1.798 4.634 ( 4.538 0.000 2.930) 5.402 5.069 ( 2.382 0.000 -4.258) 4.879 5.367 ( 2.845 0.000 -4.664) 5.464 5.503 ( 4.586 0.000 -6.569) 8.011 5.573 ( -6.854 0.000 8.772) 11.132 5.600 ( -5.020 0.000 -2.877) 5.786 5.773 ( 2.811 0.000 3.562) 4.538 5.954 ( 1.205 0.000 -10.296) 10.366 6.055 ( 1.912 0.000 -5.905) 6.206 6.215 ( 0.999 0.000 -2.215) 2.430 6.224 ( -2.963 0.000 11.826) 12.192 6.339 ( -1.054 0.000 6.994) 7.073 6.747 ( 8.051 0.000 -12.119) 14.549 7.421 ( -16.202 0.000 9.160) 18.613 7.515 ( -0.185 0.000 -9.202) 9.204 7.563 ( -5.010 0.000 -3.056) 5.869 7.763 ( -2.542 0.000 10.959) 11.250 8.102 ( 1.412 0.000 -0.472) 1.488 8.917 ( -2.249 0.000 -0.716) 2.360 8.955 ( 9.112 0.000 -1.163) 9.186 9.417 ( -6.629 0.000 7.171) 9.766 9.943 ( 3.527 0.000 3.160) 4.736 10.336 ( 0.307 0.000 4.324) 4.335 10.457 ( -2.265 0.000 -2.406) 3.305 10.602 ( -0.181 0.000 2.035) 2.043 10.843 ( -8.732 0.000 -11.279) 14.265 11.019 ( -0.046 0.000 1.044) 1.045 11.204 ( -3.904 0.000 5.501) 6.745 11.223 ( -0.986 0.000 0.165) 1.000 11.388 ( 4.204 0.000 1.324) 4.407 12.612 ( -0.549 0.000 -1.552) 1.646 12.618 ( 3.651 0.000 -3.339) 4.947 12.646 ( 0.158 0.000 2.765) 2.769 13.228 ( -1.999 0.000 -0.199) 2.009 16.620 ( 0.395 0.000 1.354) 1.411 16.824 ( -0.918 0.000 1.135) 1.460 16.869 ( -2.254 0.000 -0.675) 2.353 16.941 ( -1.198 0.000 -0.890) 1.493 22.882 ( 6.969 0.000 3.337) 7.727 23.108 ( -0.036 0.000 -2.116) 2.117 23.226 ( 6.155 0.000 -10.766) 12.401 23.250 ( -7.145 0.000 -3.413) 7.919 23.614 ( 9.637 0.000 0.995) 9.688 23.668 ( -0.447 0.000 2.403) 2.444 24.998 ( -5.608 0.000 3.575) 6.651 25.270 ( -0.272 0.000 -0.000) 0.272 25.560 ( 0.181 0.000 -1.578) 1.589 25.856 ( -8.215 0.000 10.691) 13.483 26.017 ( 3.921 0.000 2.223) 4.507 27.742 ( 5.635 0.000 -17.561) 18.443 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 23.116 0.000 8.887) 24.766 1.130 ( 19.750 0.000 14.632) 24.580 1.537 ( 22.918 0.000 28.355) 36.459 2.112 ( 17.241 0.000 2.828) 17.471 2.232 ( 4.011 0.000 5.384) 6.714 2.409 ( 8.676 0.000 -2.911) 9.151 2.690 ( -0.875 0.000 0.160) 0.889 2.711 ( 4.762 0.000 -3.624) 5.984 2.971 ( 10.037 0.000 -0.243) 10.040 3.075 ( 4.989 0.000 0.751) 5.045 3.252 ( 6.102 0.000 -0.596) 6.131 3.442 ( 3.996 0.000 -1.354) 4.219 3.478 ( 7.707 0.000 3.728) 8.562 3.616 ( -2.672 0.000 -1.382) 3.008 3.798 ( 3.114 0.000 -3.946) 5.027 3.930 ( 0.123 0.000 -7.126) 7.127 4.067 ( -7.421 0.000 11.526) 13.709 4.127 ( 6.915 0.000 -3.470) 7.737 4.216 ( 4.512 0.000 -4.976) 6.717 4.311 ( -3.278 0.000 0.020) 3.278 4.448 ( 2.465 0.000 -1.306) 2.789 4.502 ( 0.416 0.000 0.234) 0.477 4.675 ( -0.498 0.000 -0.031) 0.499 5.043 ( 0.307 0.000 -3.739) 3.752 5.359 ( 3.814 0.000 -7.563) 8.470 5.506 ( -0.205 0.000 -0.854) 0.878 5.507 ( -1.156 0.000 -3.797) 3.969 5.579 ( 0.555 0.000 4.788) 4.820 5.758 ( -2.481 0.000 -4.033) 4.735 5.885 ( 2.716 0.000 -6.814) 7.336 6.143 ( 9.102 0.000 3.945) 9.920 6.213 ( 0.130 0.000 1.024) 1.032 6.262 ( -6.825 0.000 7.014) 9.786 6.381 ( -2.026 0.000 3.596) 4.127 6.706 ( 2.469 0.000 -8.721) 9.064 7.253 ( -8.806 0.000 -2.747) 9.224 7.406 ( -6.515 0.000 -1.182) 6.621 7.431 ( -6.042 0.000 -3.293) 6.881 7.837 ( -2.042 0.000 7.586) 7.856 8.108 ( 0.286 0.000 -1.217) 1.250 8.860 ( -3.478 0.000 -1.119) 3.653 9.098 ( 12.686 0.000 -5.696) 13.906 9.405 ( -6.093 0.000 8.671) 10.598 10.041 ( 2.247 0.000 2.488) 3.353 10.397 ( -0.386 0.000 -1.426) 1.478 10.414 ( 1.872 0.000 5.689) 5.989 10.576 ( -8.603 0.000 -9.822) 13.057 10.635 ( 0.503 0.000 3.097) 3.138 11.020 ( -1.230 0.000 0.320) 1.271 11.140 ( -8.782 0.000 2.200) 9.053 11.214 ( -0.702 0.000 0.749) 1.027 11.469 ( 3.662 0.000 0.232) 3.669 12.577 ( -0.657 0.000 -2.287) 2.379 12.643 ( 1.994 0.000 0.042) 1.995 12.695 ( 0.597 0.000 4.293) 4.334 13.179 ( -3.609 0.000 -0.543) 3.650 16.652 ( 0.806 0.000 2.280) 2.419 16.811 ( -3.798 0.000 -0.891) 3.901 16.823 ( -1.615 0.000 2.072) 2.627 16.898 ( -2.411 0.000 -1.597) 2.892 23.076 ( 0.422 0.000 -3.801) 3.824 23.080 ( 10.553 0.000 2.975) 10.965 23.113 ( -5.399 0.000 0.037) 5.399 23.173 ( 1.264 0.000 -7.800) 7.902 23.704 ( 0.388 0.000 3.702) 3.722 23.743 ( 8.303 0.000 -4.247) 9.326 24.934 ( -9.506 0.000 6.081) 11.285 25.263 ( -0.865 0.000 0.169) 0.882 25.549 ( 0.835 0.000 -1.146) 1.418 25.851 ( -4.006 0.000 4.309) 5.883 26.144 ( 7.351 0.000 4.140) 8.437 27.581 ( -2.039 0.000 -13.184) 13.341 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 14.032 0.000 10.397) 17.465 1.564 ( 16.701 0.000 10.822) 19.900 2.117 ( 16.288 0.000 14.961) 22.116 2.363 ( 4.591 0.000 5.335) 7.039 2.413 ( 11.527 0.000 5.210) 12.650 2.509 ( 8.950 0.000 -5.517) 10.514 2.644 ( -0.753 0.000 -1.586) 1.755 2.811 ( 12.115 0.000 2.934) 12.465 2.956 ( 0.785 0.000 -13.490) 13.513 3.116 ( 1.325 0.000 -1.432) 1.952 3.446 ( -3.344 0.000 -0.817) 3.442 3.467 ( 10.185 0.000 8.927) 13.543 3.591 ( 3.415 0.000 -1.762) 3.843 3.605 ( 1.251 0.000 0.753) 1.460 3.697 ( -3.288 0.000 -4.543) 5.608 4.032 ( 12.560 0.000 0.897) 12.592 4.045 ( -3.537 0.000 3.547) 5.009 4.148 ( 3.124 0.000 -7.348) 7.985 4.284 ( -1.546 0.000 2.903) 3.289 4.290 ( -1.340 0.000 7.354) 7.475 4.530 ( 3.989 0.000 0.076) 3.990 4.534 ( 11.377 0.000 -1.139) 11.434 4.674 ( 3.699 0.000 -1.468) 3.980 4.977 ( -2.788 0.000 -4.434) 5.238 5.320 ( 3.261 0.000 -4.248) 5.356 5.352 ( -5.031 0.000 -10.985) 12.082 5.603 ( 10.409 0.000 0.358) 10.416 5.654 ( -4.869 0.000 8.097) 9.448 5.716 ( 6.261 0.000 -5.242) 8.165 5.874 ( 4.207 0.000 -3.977) 5.789 6.185 ( -9.657 0.000 2.507) 9.977 6.208 ( -1.991 0.000 1.660) 2.592 6.328 ( -2.189 0.000 4.737) 5.218 6.408 ( 8.858 0.000 2.461) 9.194 6.622 ( -0.334 0.000 -7.604) 7.611 7.082 ( -8.326 0.000 -4.951) 9.687 7.296 ( -7.135 0.000 1.587) 7.309 7.329 ( -3.680 0.000 -0.166) 3.684 7.881 ( -1.453 0.000 4.593) 4.817 8.071 ( -2.780 0.000 -2.107) 3.488 8.793 ( -3.134 0.000 -1.048) 3.305 9.158 ( 5.314 0.000 -8.118) 9.703 9.470 ( 0.655 0.000 9.227) 9.251 9.996 ( -5.692 0.000 -4.715) 7.391 10.345 ( -7.042 0.000 -5.161) 8.731 10.494 ( 7.518 0.000 4.216) 8.619 10.512 ( 0.247 0.000 6.857) 6.861 10.698 ( 2.019 0.000 4.735) 5.147 10.988 ( -1.610 0.000 -1.476) 2.184 11.013 ( -8.676 0.000 0.340) 8.683 11.217 ( -0.268 0.000 0.636) 0.690 11.492 ( 0.690 0.000 -2.123) 2.232 12.549 ( 0.357 0.000 -1.536) 1.577 12.680 ( 1.416 0.000 1.622) 2.154 12.759 ( 0.777 0.000 4.367) 4.435 13.105 ( -4.622 0.000 -1.010) 4.731 16.696 ( 1.111 0.000 2.454) 2.693 16.737 ( -4.037 0.000 -0.872) 4.130 16.823 ( -1.941 0.000 2.585) 3.233 16.832 ( -3.214 0.000 -2.002) 3.787 22.995 ( -4.447 0.000 -2.415) 5.060 23.029 ( 0.316 0.000 -5.434) 5.443 23.093 ( -0.840 0.000 -5.225) 5.292 23.341 ( 10.940 0.000 7.011) 12.994 23.740 ( 2.454 0.000 -10.645) 10.924 23.764 ( 1.498 0.000 3.688) 3.980 24.876 ( -7.240 0.000 7.473) 10.405 25.245 ( -2.049 0.000 0.440) 2.096 25.557 ( 0.376 0.000 0.389) 0.541 25.832 ( -2.627 0.000 1.209) 2.892 26.335 ( 9.488 0.000 5.516) 10.975 27.390 ( -3.454 0.000 -10.714) 11.257 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 6.377 0.000 10.587) 12.359 1.904 ( 12.597 0.000 7.792) 14.813 2.400 ( 14.054 0.000 -3.837) 14.569 2.454 ( 2.510 0.000 -3.734) 4.499 2.467 ( -1.331 0.000 -4.286) 4.488 2.589 ( 3.810 0.000 8.303) 9.135 2.681 ( -6.151 0.000 1.113) 6.251 2.795 ( 5.598 0.000 -9.118) 10.699 3.076 ( 2.106 0.000 -2.063) 2.948 3.161 ( 14.106 0.000 7.237) 15.854 3.362 ( -7.800 0.000 3.000) 8.357 3.561 ( 3.135 0.000 -7.388) 8.025 3.600 ( -0.497 0.000 -2.987) 3.028 3.638 ( -3.797 0.000 5.760) 6.899 3.701 ( 7.300 0.000 2.099) 7.596 4.030 ( -2.244 0.000 -1.061) 2.482 4.082 ( -0.398 0.000 -5.948) 5.961 4.223 ( 5.489 0.000 4.398) 7.034 4.309 ( 1.513 0.000 1.123) 1.884 4.392 ( 2.982 0.000 11.913) 12.280 4.617 ( 4.780 0.000 0.641) 4.822 4.666 ( 8.769 0.000 -6.618) 10.986 4.835 ( 13.277 0.000 4.529) 14.029 4.877 ( -0.867 0.000 -5.909) 5.972 5.179 ( 2.392 0.000 -10.210) 10.487 5.391 ( 7.256 0.000 2.166) 7.572 5.647 ( -5.051 0.000 5.534) 7.493 5.741 ( 2.247 0.000 -5.152) 5.621 5.784 ( 10.927 0.000 0.636) 10.946 5.921 ( 5.143 0.000 -1.035) 5.246 6.054 ( -8.292 0.000 0.965) 8.348 6.165 ( -3.470 0.000 -1.278) 3.698 6.283 ( -5.834 0.000 2.099) 6.201 6.521 ( -2.315 0.000 -5.948) 6.382 6.637 ( 11.449 0.000 5.689) 12.785 6.855 ( -12.764 0.000 -5.638) 13.954 7.237 ( -2.921 0.000 1.310) 3.201 7.318 ( -0.651 0.000 3.600) 3.659 7.903 ( -1.018 0.000 2.379) 2.588 7.963 ( -6.972 0.000 -3.659) 7.874 8.747 ( -1.530 0.000 -0.426) 1.588 9.107 ( -0.573 0.000 -5.027) 5.060 9.601 ( 4.270 0.000 4.905) 6.503 9.814 ( -7.327 0.000 -6.715) 9.939 10.205 ( -5.023 0.000 -2.508) 5.615 10.566 ( -2.690 0.000 5.557) 6.174 10.676 ( 5.249 0.000 5.149) 7.353 10.815 ( 2.876 0.000 7.995) 8.496 10.920 ( -1.761 0.000 0.844) 1.953 10.947 ( 0.250 0.000 -3.276) 3.286 11.211 ( -0.504 0.000 -0.915) 1.044 11.442 ( -2.457 0.000 -3.608) 4.365 12.560 ( 2.092 0.000 0.171) 2.099 12.723 ( 1.146 0.000 2.128) 2.417 12.815 ( 0.460 0.000 3.146) 3.180 13.016 ( -4.790 0.000 -1.356) 4.978 16.672 ( -3.126 0.000 -0.569) 3.178 16.740 ( 1.096 0.000 1.821) 2.125 16.757 ( -3.193 0.000 -1.950) 3.742 16.824 ( -1.777 0.000 2.499) 3.066 22.915 ( -2.901 0.000 -1.401) 3.221 22.953 ( -1.337 0.000 -5.161) 5.331 23.039 ( 0.116 0.000 -3.120) 3.122 23.490 ( -1.564 0.000 -5.938) 6.141 23.657 ( 5.653 0.000 -1.159) 5.771 23.831 ( 1.875 0.000 2.867) 3.426 24.902 ( -0.883 0.000 7.167) 7.221 25.209 ( -3.229 0.000 0.498) 3.267 25.555 ( -1.519 0.000 0.296) 1.548 25.803 ( -1.408 0.000 -0.582) 1.524 26.552 ( 9.175 0.000 5.747) 10.827 27.236 ( -2.382 0.000 -7.314) 7.692 ======================= Grid point 5 (6/172) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 3.101 0.000 9.863) 10.339 2.131 ( 7.233 0.000 4.322) 8.426 2.382 ( -1.538 0.000 -4.994) 5.226 2.387 ( 0.441 0.000 -8.582) 8.593 2.493 ( -7.172 0.000 -5.180) 8.847 2.536 ( 11.642 0.000 -5.778) 12.997 2.771 ( 0.173 0.000 12.040) 12.041 2.866 ( 2.845 0.000 1.913) 3.429 3.011 ( -1.532 0.000 -3.969) 4.255 3.303 ( -5.795 0.000 5.331) 7.874 3.402 ( 5.788 0.000 -2.055) 6.142 3.535 ( 2.804 0.000 -5.261) 5.962 3.565 ( 1.470 0.000 0.359) 1.513 3.642 ( -3.323 0.000 5.421) 6.358 3.807 ( 6.183 0.000 -2.189) 6.559 3.945 ( -5.116 0.000 -1.638) 5.371 4.014 ( -1.024 0.000 -2.946) 3.119 4.342 ( 0.124 0.000 8.680) 8.680 4.360 ( 3.178 0.000 0.433) 3.208 4.506 ( 1.624 0.000 -4.550) 4.832 4.668 ( -0.450 0.000 4.253) 4.277 4.777 ( 10.822 0.000 3.995) 11.536 4.819 ( 3.803 0.000 -9.366) 10.109 5.034 ( 3.959 0.000 3.805) 5.491 5.248 ( 13.702 0.000 -2.328) 13.898 5.565 ( 7.451 0.000 4.596) 8.755 5.619 ( -1.872 0.000 -4.440) 4.818 5.668 ( -4.533 0.000 0.332) 4.545 5.897 ( -1.593 0.000 3.235) 3.606 5.984 ( 6.401 0.000 1.002) 6.479 6.038 ( 4.506 0.000 0.183) 4.510 6.089 ( -2.924 0.000 -2.675) 3.963 6.215 ( -4.980 0.000 1.445) 5.186 6.408 ( -4.510 0.000 -4.203) 6.164 6.575 ( -12.756 0.000 -6.031) 14.110 6.874 ( 9.422 0.000 5.427) 10.874 7.223 ( -0.558 0.000 0.463) 0.725 7.382 ( 2.063 0.000 5.123) 5.522 7.771 ( -9.915 0.000 -5.689) 11.431 7.910 ( -0.534 0.000 0.972) 1.109 8.735 ( -0.079 0.000 0.267) 0.278 9.043 ( -1.497 0.000 -2.363) 2.798 9.647 ( -4.708 0.000 -4.528) 6.532 9.701 ( 3.022 0.000 1.896) 3.568 10.121 ( -3.064 0.000 -1.125) 3.264 10.574 ( -2.617 0.000 3.257) 4.178 10.724 ( -1.472 0.000 1.458) 2.072 10.910 ( -1.837 0.000 1.903) 2.645 10.967 ( 5.212 0.000 3.473) 6.263 11.012 ( 7.073 0.000 3.139) 7.739 11.176 ( -1.013 0.000 -3.071) 3.234 11.343 ( -4.442 0.000 -3.221) 5.487 12.609 ( 2.675 0.000 1.129) 2.903 12.761 ( 0.798 0.000 1.566) 1.758 12.845 ( 0.014 0.000 1.407) 1.407 12.932 ( -3.658 0.000 -1.232) 3.860 16.631 ( -1.550 0.000 -0.160) 1.559 16.694 ( -2.111 0.000 -1.308) 2.484 16.769 ( 0.615 0.000 0.798) 1.007 16.827 ( -1.014 0.000 1.652) 1.938 22.874 ( -1.017 0.000 -0.337) 1.072 22.884 ( -1.198 0.000 -2.738) 2.989 23.014 ( 0.337 0.000 -1.807) 1.838 23.298 ( -5.521 0.000 -8.645) 10.258 23.786 ( 4.771 0.000 2.922) 5.595 23.884 ( 1.299 0.000 1.568) 2.037 24.994 ( 2.298 0.000 4.867) 5.383 25.164 ( -2.690 0.000 0.258) 2.703 25.518 ( -2.494 0.000 -0.668) 2.582 25.780 ( -0.386 0.000 -0.813) 0.900 26.731 ( 5.679 0.000 3.800) 6.833 27.145 ( -1.001 0.000 -3.578) 3.715 ======================= Grid point 6 (7/172) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 -0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 -0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.524 ( -0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 -0.000) 0.000 3.855 ( -0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 -0.000) 0.000 3.989 ( -0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.422 ( -0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 -0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 4.748 ( -0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 -0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.644 ( -0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.080 ( -0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 -0.000) 0.000 6.183 ( 0.000 0.000 -0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.590 ( -0.000 0.000 -0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.581 ( -0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 -0.000) 0.000 11.112 ( -0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 12.643 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.853 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 16.778 ( -0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 22.867 ( -0.000 0.000 0.000) 0.000 23.006 ( 0.000 0.000 0.000) 0.000 23.193 ( 0.000 0.000 0.000) 0.000 23.842 ( 0.000 0.000 0.000) 0.000 23.904 ( 0.000 0.000 0.000) 0.000 25.049 ( 0.000 0.000 0.000) 0.000 25.143 ( 0.000 0.000 0.000) 0.000 25.487 ( 0.000 0.000 0.000) 0.000 25.772 ( 0.000 0.000 0.000) 0.000 26.800 ( 0.000 0.000 0.000) 0.000 27.116 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 24.916 0.000) 24.916 0.650 ( 0.000 31.005 0.000) 31.005 1.032 ( 0.000 48.835 0.000) 48.835 1.914 ( 0.000 8.479 0.000) 8.479 2.006 ( 0.000 -5.077 0.000) 5.077 2.384 ( 0.000 2.858 0.000) 2.858 2.483 ( 0.000 3.735 0.000) 3.735 2.561 ( 0.000 -6.008 0.000) 6.008 2.889 ( 0.000 -3.123 0.000) 3.123 3.093 ( 0.000 -0.622 0.000) 0.622 3.213 ( 0.000 0.248 0.000) 0.248 3.267 ( 0.000 -1.837 0.000) 1.837 3.353 ( 0.000 -4.230 0.000) 4.230 3.687 ( 0.000 1.503 0.000) 1.503 3.848 ( 0.000 -0.599 0.000) 0.599 3.888 ( 0.000 4.080 0.000) 4.080 4.063 ( 0.000 1.788 0.000) 1.788 4.147 ( 0.000 -6.322 0.000) 6.322 4.325 ( 0.000 -9.449 0.000) 9.449 4.328 ( 0.000 -4.352 0.000) 4.352 4.449 ( 0.000 -2.005 0.000) 2.005 4.458 ( 0.000 -1.052 0.000) 1.052 4.705 ( 0.000 -3.465 0.000) 3.465 4.884 ( 0.000 1.887 0.000) 1.887 4.981 ( 0.000 -9.939 0.000) 9.939 5.327 ( 0.000 -13.341 0.000) 13.341 5.399 ( 0.000 0.531 0.000) 0.531 5.643 ( 0.000 5.693 0.000) 5.693 5.663 ( 0.000 -3.132 0.000) 3.132 5.854 ( 0.000 11.104 0.000) 11.104 6.034 ( 0.000 0.297 0.000) 0.297 6.096 ( 0.000 -0.269 0.000) 0.269 6.242 ( 0.000 -3.765 0.000) 3.765 6.311 ( 0.000 9.416 0.000) 9.416 6.802 ( 0.000 3.871 0.000) 3.871 7.585 ( 0.000 -0.418 0.000) 0.418 7.612 ( 0.000 -4.947 0.000) 4.947 7.764 ( 0.000 8.201 0.000) 8.201 7.788 ( 0.000 -4.099 0.000) 4.099 8.386 ( 0.000 -3.064 0.000) 3.064 8.878 ( 0.000 -0.638 0.000) 0.638 8.903 ( 0.000 -2.736 0.000) 2.736 9.475 ( 0.000 7.771 0.000) 7.771 9.916 ( 0.000 0.841 0.000) 0.841 10.257 ( 0.000 2.533 0.000) 2.533 10.502 ( 0.000 -4.871 0.000) 4.871 10.566 ( 0.000 -2.015 0.000) 2.015 10.949 ( 0.000 -6.466 0.000) 6.466 11.102 ( 0.000 2.482 0.000) 2.482 11.135 ( 0.000 2.883 0.000) 2.883 11.276 ( 0.000 2.654 0.000) 2.654 11.341 ( 0.000 -0.967 0.000) 0.967 12.578 ( 0.000 1.747 0.000) 1.747 12.678 ( 0.000 4.556 0.000) 4.556 12.811 ( 0.000 -1.110 0.000) 1.110 13.215 ( 0.000 -2.904 0.000) 2.904 16.615 ( 0.000 0.284 0.000) 0.284 16.778 ( 0.000 -3.222 0.000) 3.222 16.921 ( 0.000 2.087 0.000) 2.087 16.960 ( 0.000 0.391 0.000) 0.391 23.117 ( 0.000 0.163 0.000) 0.163 23.142 ( 0.000 1.809 0.000) 1.809 23.153 ( 0.000 -0.331 0.000) 0.331 23.346 ( 0.000 -1.640 0.000) 1.640 23.392 ( 0.000 0.801 0.000) 0.801 23.533 ( 0.000 -3.627 0.000) 3.627 23.801 ( 0.000 9.861 0.000) 9.861 24.922 ( 0.000 -9.181 0.000) 9.181 25.318 ( 0.000 4.406 0.000) 4.406 25.924 ( 0.000 -4.587 0.000) 4.587 27.468 ( 0.000 3.978 0.000) 3.978 27.822 ( 0.000 -1.779 0.000) 1.779 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 7.280 20.094 9.184) 23.262 0.761 ( 17.256 16.969 10.467) 26.368 1.365 ( 18.164 34.408 14.139) 41.398 1.910 ( 3.790 1.264 -0.667) 4.050 2.124 ( 8.205 1.915 3.881) 9.277 2.420 ( 4.961 4.843 -0.428) 6.946 2.550 ( 3.760 -6.363 -1.551) 7.552 2.591 ( 5.541 1.658 6.045) 8.366 2.925 ( 4.297 -1.553 -0.883) 4.653 3.018 ( -1.703 4.605 -0.748) 4.966 3.226 ( 3.395 -1.118 -6.204) 7.160 3.294 ( 2.547 -2.728 5.051) 6.280 3.370 ( 4.498 -4.173 -3.877) 7.258 3.670 ( 0.355 1.729 -2.455) 3.024 3.811 ( 1.652 0.583 -5.040) 5.335 3.965 ( 2.569 1.876 6.053) 6.838 4.065 ( -0.068 -1.036 -1.670) 1.966 4.114 ( 2.077 -2.356 -5.622) 6.440 4.227 ( -6.533 -5.484 -4.423) 9.608 4.337 ( -2.864 -0.594 -1.381) 3.235 4.378 ( 4.143 -5.663 -0.234) 7.021 4.583 ( -0.183 3.041 2.556) 3.977 4.658 ( 2.340 5.816 1.481) 6.441 4.977 ( 7.504 -9.789 -4.710) 13.203 5.238 ( 6.906 -13.331 2.145) 15.166 5.385 ( 2.722 -3.562 -0.722) 4.541 5.453 ( 5.890 -14.014 11.499) 19.060 5.612 ( -2.013 -1.124 -0.739) 2.421 5.780 ( 3.260 0.994 6.244) 7.113 5.873 ( 5.433 3.826 -1.473) 6.806 6.011 ( 0.679 2.967 -9.050) 9.548 6.067 ( 1.375 -1.858 1.136) 2.576 6.242 ( -0.538 -3.530 1.414) 3.841 6.351 ( -5.113 6.126 11.541) 14.031 6.778 ( 0.466 2.694 -4.740) 5.472 7.484 ( -7.688 0.247 -3.216) 8.337 7.548 ( -13.626 -1.121 1.162) 13.721 7.659 ( -10.141 1.791 -3.557) 10.895 7.778 ( 5.010 3.311 -4.297) 7.384 8.157 ( -6.724 1.265 -6.360) 9.341 8.915 ( 2.262 -0.157 -2.474) 3.356 8.955 ( 7.817 -0.409 0.008) 7.828 9.488 ( -4.047 6.494 4.992) 9.136 9.953 ( 2.738 0.469 2.456) 3.708 10.300 ( 1.039 -0.410 2.855) 3.066 10.462 ( -0.452 -2.188 -2.642) 3.460 10.575 ( -0.779 -1.939 1.482) 2.562 10.854 ( -6.854 -0.669 -7.552) 10.220 11.023 ( -1.974 0.302 1.525) 2.513 11.194 ( -1.705 1.270 -0.049) 2.127 11.214 ( -4.797 -0.691 3.266) 5.845 11.394 ( 3.312 0.223 1.596) 3.684 12.599 ( 2.066 0.998 -0.046) 2.295 12.690 ( -0.901 3.163 1.140) 3.481 12.706 ( -2.510 3.939 -4.010) 6.156 13.223 ( -3.123 -1.713 2.883) 4.582 16.626 ( 0.335 0.425 1.428) 1.527 16.778 ( -0.783 -3.043 0.997) 3.296 16.901 ( -2.241 1.914 -0.413) 2.976 16.945 ( -1.306 0.295 -0.928) 1.629 22.972 ( 3.413 6.009 0.035) 6.910 23.129 ( -0.057 1.859 -1.897) 2.656 23.211 ( 3.433 -1.195 -9.022) 9.727 23.254 ( -3.733 0.197 -3.439) 5.079 23.584 ( 8.610 -1.435 2.140) 8.987 23.749 ( 0.662 5.361 4.692) 7.156 24.269 ( 28.954 -35.494 26.647) 52.993 24.899 ( -5.063 -9.227 2.812) 10.894 25.347 ( 2.845 4.276 1.030) 5.238 25.934 ( 2.993 -4.256 -2.088) 5.607 27.005 ( -29.780 30.245 -11.723) 44.034 27.733 ( 0.564 -1.319 -12.667) 12.748 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 19.623 2.241 15.151) 24.893 1.191 ( 16.588 9.118 15.225) 24.292 1.802 ( 18.670 17.102 11.445) 27.786 2.025 ( 5.713 -4.374 5.356) 8.970 2.313 ( 9.236 4.828 4.142) 11.215 2.512 ( 10.066 8.272 -5.703) 14.222 2.568 ( 0.518 -10.716 2.218) 10.955 2.750 ( 5.971 3.277 -0.219) 6.815 2.983 ( 4.820 -1.865 -5.115) 7.271 3.039 ( 3.285 -0.144 -0.610) 3.345 3.238 ( 6.488 -1.232 -0.035) 6.604 3.395 ( 4.838 -3.627 2.945) 6.726 3.460 ( 8.963 -2.363 0.465) 9.281 3.625 ( -3.068 1.901 -1.433) 3.883 3.819 ( 5.800 -1.980 -3.784) 7.203 3.938 ( -2.833 0.937 -8.104) 8.636 4.074 ( -4.891 -0.813 6.701) 8.336 4.144 ( 2.086 0.636 -0.041) 2.181 4.156 ( 6.770 -1.489 0.148) 6.933 4.288 ( -2.054 -0.857 0.587) 2.301 4.452 ( 6.344 0.115 -0.826) 6.398 4.589 ( 0.344 5.076 0.734) 5.140 4.695 ( -0.037 4.492 -1.046) 4.612 5.016 ( 2.353 -2.497 -2.392) 4.183 5.285 ( 6.254 -4.592 -5.288) 9.390 5.481 ( 7.773 -3.800 -0.756) 8.685 5.537 ( -4.193 -0.593 0.024) 4.235 5.586 ( -0.488 0.322 4.292) 4.332 5.817 ( -1.371 4.108 -2.111) 4.818 5.892 ( 1.844 0.918 -9.546) 9.766 6.020 ( 10.201 -7.824 2.089) 13.025 6.137 ( 2.244 -2.847 3.497) 5.036 6.270 ( -0.619 -2.560 3.714) 4.553 6.389 ( -7.495 2.930 9.921) 12.775 6.700 ( -1.166 -0.967 -6.992) 7.154 7.239 ( -16.601 -1.326 -4.054) 17.140 7.349 ( -7.441 -2.401 -2.486) 8.205 7.482 ( -6.757 1.012 -3.977) 7.905 7.822 ( 1.899 -0.432 1.455) 2.431 8.077 ( -0.686 -3.342 -2.062) 3.986 8.898 ( -0.865 3.180 -1.407) 3.583 9.099 ( 12.318 -0.269 -4.196) 13.016 9.466 ( -6.643 5.682 6.470) 10.876 10.022 ( 0.766 -2.122 1.321) 2.615 10.320 ( 0.097 -2.886 1.781) 3.393 10.489 ( 3.299 0.867 1.093) 3.582 10.537 ( -3.032 -0.262 -3.682) 4.777 10.689 ( -4.591 3.676 0.253) 5.887 11.029 ( -1.096 -0.194 1.572) 1.927 11.147 ( -7.766 1.560 1.620) 8.085 11.158 ( -2.163 -4.225 0.772) 4.809 11.456 ( 2.664 -1.260 -0.011) 2.947 12.601 ( -1.181 1.573 -3.083) 3.658 12.642 ( 1.869 -0.131 -0.843) 2.055 12.740 ( -0.431 4.521 5.374) 7.037 13.183 ( -4.768 -0.410 1.083) 4.907 16.657 ( 0.738 0.497 2.375) 2.536 16.773 ( -1.877 -2.200 1.163) 3.117 16.851 ( -3.250 1.394 0.006) 3.536 16.899 ( -2.591 0.030 -1.626) 3.060 23.067 ( 2.693 0.116 -2.365) 3.586 23.100 ( -1.505 -0.019 -4.520) 4.764 23.158 ( 4.645 4.611 4.119) 7.733 23.188 ( 0.710 1.515 -6.719) 6.924 23.713 ( 6.585 0.740 -0.276) 6.632 23.806 ( 2.089 6.406 1.541) 6.912 24.800 ( 8.052 -30.257 12.718) 33.794 24.844 ( -4.672 -10.388 5.090) 12.476 25.423 ( 4.640 3.276 1.229) 5.811 25.975 ( 5.632 -2.958 -2.231) 6.741 26.556 ( -15.778 27.881 -4.132) 32.301 27.556 ( -4.228 -2.616 -11.479) 12.509 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 14.232 2.184 11.967) 18.723 1.609 ( 14.663 4.538 13.478) 20.427 2.168 ( 4.164 -3.892 7.990) 9.814 2.225 ( 15.470 0.728 10.332) 18.617 2.486 ( 8.018 3.119 1.936) 8.818 2.538 ( 4.644 -3.421 -4.694) 7.437 2.625 ( 3.127 1.380 -2.477) 4.221 2.823 ( 5.620 -4.284 -6.722) 9.753 2.943 ( 2.420 3.376 -0.955) 4.262 3.046 ( 2.742 -3.024 -5.263) 6.661 3.379 ( 5.869 -4.224 1.826) 7.458 3.514 ( -2.613 -2.249 2.302) 4.145 3.576 ( 4.989 6.371 5.246) 9.644 3.619 ( 8.262 -1.305 -3.479) 9.059 3.777 ( -1.806 5.849 -5.551) 8.263 3.914 ( 7.420 -11.742 -2.058) 14.042 4.086 ( -2.963 3.148 7.350) 8.527 4.161 ( 3.228 1.443 -6.264) 7.194 4.296 ( 2.030 0.413 2.975) 3.625 4.315 ( 2.810 3.803 8.002) 9.295 4.565 ( 9.761 3.490 -0.653) 10.387 4.639 ( 5.420 -1.561 -1.051) 5.738 4.653 ( 0.306 9.477 -1.145) 9.551 4.988 ( -2.981 1.032 -2.312) 3.911 5.278 ( 2.321 0.458 -6.077) 6.521 5.470 ( 0.389 4.629 -9.144) 10.257 5.601 ( 5.261 -4.089 3.751) 7.647 5.636 ( 3.596 1.357 2.974) 4.860 5.765 ( 2.352 5.347 -4.052) 7.110 5.873 ( 3.668 0.088 -3.029) 4.758 6.100 ( 0.355 -5.613 -0.532) 5.649 6.250 ( -6.291 0.140 2.666) 6.834 6.271 ( -2.392 -2.852 6.793) 7.746 6.384 ( 5.104 -2.094 1.894) 5.833 6.602 ( -1.868 -2.541 -5.217) 6.096 6.943 ( -14.648 -11.967 -4.309) 19.399 7.251 ( -3.639 -1.172 0.347) 3.838 7.362 ( -4.834 0.553 -0.516) 4.892 7.860 ( 0.542 -1.532 1.569) 2.259 8.033 ( -2.393 -3.665 -2.246) 4.920 8.864 ( -1.605 5.934 -0.782) 6.197 9.189 ( 7.737 2.181 -8.552) 11.737 9.473 ( -3.174 0.899 8.934) 9.524 9.954 ( -6.132 -4.012 -4.377) 8.536 10.350 ( -4.771 0.504 -3.125) 5.725 10.433 ( 3.935 -2.162 4.364) 6.262 10.618 ( 2.668 6.186 4.868) 8.311 10.704 ( 2.326 0.728 4.446) 5.070 11.003 ( -4.786 -0.299 0.351) 4.808 11.027 ( -5.753 2.871 -0.978) 6.504 11.160 ( -0.047 -4.892 1.452) 5.103 11.465 ( 0.068 -2.590 -2.160) 3.373 12.556 ( 0.028 0.705 -2.009) 2.129 12.674 ( 1.728 -0.773 0.945) 2.115 12.798 ( -0.475 3.777 5.087) 6.353 13.108 ( -5.388 -0.085 -0.122) 5.391 16.700 ( 0.876 0.374 2.290) 2.480 16.735 ( -3.410 -0.268 -0.380) 3.442 16.821 ( -2.178 -0.155 1.951) 2.928 16.830 ( -3.375 -0.196 -1.749) 3.806 23.001 ( -3.582 0.514 -2.409) 4.347 23.047 ( 0.998 1.025 -4.889) 5.094 23.106 ( -1.478 1.814 -5.502) 5.979 23.346 ( 8.294 0.369 4.434) 9.412 23.750 ( 2.868 1.878 -8.487) 9.153 23.866 ( 2.743 8.980 4.862) 10.574 24.786 ( -7.241 -9.721 7.366) 14.184 25.018 ( 3.960 -17.770 5.444) 19.003 25.499 ( 3.861 2.502 -0.248) 4.607 26.035 ( 2.462 4.173 -0.078) 4.846 26.392 ( -2.853 10.299 0.398) 10.695 27.355 ( -4.874 -3.597 -9.200) 11.015 ======================= Grid point 17 (12/172) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 5.599 2.819 11.623) 13.206 1.952 ( 13.234 3.936 7.499) 15.712 2.285 ( 2.385 -7.684 2.140) 8.326 2.456 ( 1.812 -1.627 2.190) 3.275 2.541 ( 9.494 6.241 -8.637) 14.272 2.627 ( 0.808 -0.463 4.534) 4.629 2.692 ( 2.009 3.490 4.336) 5.918 2.719 ( 3.514 -6.354 -8.786) 11.398 3.004 ( 1.954 -5.692 -3.387) 6.906 3.123 ( 9.045 -1.333 4.961) 10.402 3.433 ( -3.390 5.595 0.652) 6.574 3.447 ( -4.104 -7.943 2.180) 9.203 3.612 ( 5.705 3.918 -7.439) 10.160 3.747 ( 5.946 3.679 0.174) 6.994 3.779 ( 3.489 6.350 1.503) 7.399 3.982 ( 1.746 -7.831 -2.872) 8.522 4.091 ( -1.863 0.812 -4.999) 5.397 4.160 ( 1.082 0.429 7.981) 8.066 4.357 ( 2.746 0.899 1.695) 3.350 4.449 ( 2.917 3.891 7.723) 9.126 4.647 ( 3.623 0.845 -4.588) 5.907 4.702 ( 6.327 6.049 -1.182) 8.833 4.803 ( 10.566 -0.954 2.376) 10.872 4.902 ( -2.198 2.328 -0.556) 3.250 5.208 ( 2.419 3.143 -9.918) 10.682 5.455 ( 7.673 4.379 -0.796) 8.871 5.654 ( -3.889 -0.107 5.328) 6.597 5.736 ( 3.160 0.248 -5.886) 6.685 5.818 ( 11.114 3.128 -0.405) 11.553 5.917 ( 3.621 -0.215 -0.127) 3.629 6.072 ( -4.172 -1.038 1.105) 4.439 6.116 ( -5.854 -1.358 -2.012) 6.337 6.248 ( -5.660 -3.212 1.399) 6.656 6.497 ( -2.962 -2.758 -5.736) 7.020 6.590 ( 9.199 -5.106 6.290) 12.258 6.691 ( -11.684 -13.526 -2.514) 18.050 7.229 ( -1.383 -0.046 1.688) 2.183 7.330 ( -1.277 0.505 3.296) 3.570 7.872 ( -0.650 -2.501 -0.211) 2.592 7.939 ( -5.410 -2.414 -2.839) 6.570 8.837 ( -0.818 7.826 -0.274) 7.873 9.152 ( 0.193 4.106 -6.012) 7.283 9.564 ( 2.433 -3.424 5.446) 6.878 9.777 ( -7.658 -3.588 -5.751) 10.227 10.240 ( -4.150 3.262 -2.000) 5.645 10.559 ( -0.081 -0.926 6.787) 6.851 10.685 ( 2.167 1.059 2.618) 3.560 10.840 ( 2.160 1.841 6.033) 6.667 10.920 ( -0.556 0.167 1.200) 1.333 10.976 ( -0.689 2.643 -1.880) 3.316 11.172 ( 0.359 -3.296 -0.135) 3.318 11.411 ( -2.657 -2.978 -3.118) 5.064 12.561 ( 2.088 0.302 0.028) 2.110 12.714 ( 1.412 -1.161 1.617) 2.441 12.837 ( -1.134 2.305 3.141) 4.057 13.020 ( -5.017 0.133 -0.628) 5.058 16.670 ( -3.091 -0.106 -0.805) 3.196 16.730 ( -1.004 -0.844 -0.287) 1.343 16.767 ( -1.362 0.830 0.264) 1.617 16.821 ( -1.595 -0.265 2.505) 2.981 22.928 ( -2.569 1.154 -1.887) 3.390 22.993 ( -0.239 3.330 -5.091) 6.088 23.035 ( -0.893 -0.054 -2.622) 2.771 23.432 ( -0.626 -4.569 -4.311) 6.313 23.672 ( 1.501 3.067 -4.178) 5.396 23.995 ( 4.963 13.214 5.439) 15.127 24.783 ( -3.601 -12.327 5.416) 13.938 25.114 ( 2.310 -7.135 3.937) 8.470 25.530 ( 1.587 2.330 -1.605) 3.244 26.026 ( -3.473 13.826 0.783) 14.277 26.446 ( 5.966 -7.852 1.554) 9.984 27.205 ( -2.945 -3.509 -5.370) 7.058 ======================= Grid point 18 (13/172) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 2.094 1.699 9.479) 9.855 2.190 ( 7.555 4.657 5.009) 10.191 2.301 ( 2.000 -4.599 -2.910) 5.798 2.399 ( -1.114 -0.544 -6.338) 6.458 2.528 ( -4.349 3.348 -7.299) 9.132 2.637 ( 8.015 8.600 -2.032) 11.930 2.790 ( 3.454 -1.305 10.079) 10.734 2.831 ( 2.768 -1.728 4.604) 5.643 2.966 ( -0.187 -1.759 -4.786) 5.103 3.266 ( 2.489 -8.020 -1.493) 8.529 3.326 ( -9.194 2.496 2.844) 9.942 3.496 ( 4.538 -5.343 3.922) 8.033 3.630 ( 6.039 5.000 -5.655) 9.667 3.775 ( -1.465 6.229 -1.273) 6.524 3.846 ( 5.387 3.053 -2.624) 6.725 3.911 ( -2.669 0.056 -2.312) 3.532 4.033 ( -3.560 2.600 1.283) 4.591 4.288 ( 0.860 -3.378 8.126) 8.842 4.399 ( 1.770 -0.447 0.591) 1.919 4.517 ( -1.251 2.784 -8.234) 8.781 4.668 ( 6.799 -6.884 3.659) 10.344 4.775 ( 2.867 6.369 3.481) 7.804 4.856 ( 2.850 3.747 -4.081) 6.230 5.001 ( 4.614 -2.353 3.569) 6.290 5.234 ( 9.853 -0.882 -2.985) 10.333 5.562 ( 0.846 -1.142 -4.005) 4.250 5.650 ( -3.453 0.261 3.527) 4.943 5.682 ( 4.719 4.212 -2.986) 6.994 5.933 ( -1.491 -3.272 1.047) 3.745 5.974 ( 7.053 3.898 -0.315) 8.064 6.010 ( -5.133 -2.415 0.676) 5.713 6.090 ( 4.959 0.394 -1.258) 5.131 6.175 ( -3.442 -2.707 1.085) 4.511 6.366 ( -6.345 -5.468 -3.589) 9.113 6.487 ( -8.922 -5.974 -2.286) 10.978 6.820 ( 8.394 -5.078 5.141) 11.076 7.235 ( -0.177 1.177 1.053) 1.589 7.393 ( 2.300 0.782 5.611) 6.114 7.750 ( -8.261 -1.728 -5.969) 10.337 7.888 ( -0.653 -2.165 0.248) 2.275 8.834 ( 0.260 8.812 0.240) 8.819 9.085 ( -1.426 3.949 -2.833) 5.065 9.608 ( -4.374 -3.816 -3.872) 6.977 9.656 ( 1.602 -4.217 2.246) 5.039 10.170 ( -2.682 4.612 -0.932) 5.416 10.591 ( -2.111 1.470 3.487) 4.333 10.718 ( -1.200 -0.185 1.000) 1.573 10.888 ( 2.384 -5.918 1.745) 6.614 10.949 ( -1.678 3.203 1.752) 4.018 11.054 ( 7.429 2.420 2.895) 8.333 11.166 ( 0.646 -0.857 -1.986) 2.257 11.321 ( -4.530 -2.199 -2.213) 5.500 12.614 ( 3.235 0.455 1.305) 3.518 12.752 ( 1.135 -1.361 1.297) 2.196 12.827 ( -2.716 -0.217 0.192) 2.732 12.953 ( -2.741 0.976 -0.031) 2.910 16.625 ( -1.661 -0.460 -0.381) 1.765 16.681 ( -1.985 -1.178 -1.317) 2.658 16.782 ( 0.398 1.047 0.925) 1.452 16.828 ( -0.858 0.010 1.658) 1.867 22.875 ( -1.360 0.955 -1.668) 2.354 22.946 ( -0.096 4.704 -1.693) 5.000 23.005 ( -0.190 -0.798 -1.450) 1.666 23.283 ( -4.921 -1.544 -7.394) 9.015 23.699 ( 2.074 -1.550 0.604) 2.659 24.120 ( 3.507 16.171 3.472) 16.907 24.787 ( -1.830 -16.167 2.185) 16.416 25.201 ( 2.985 0.368 3.604) 4.694 25.512 ( -0.791 2.067 -2.087) 3.042 25.978 ( -2.794 15.378 0.205) 15.631 26.551 ( 4.505 -15.095 0.916) 15.780 27.136 ( -0.815 -2.456 -1.745) 3.121 ======================= Grid point 19 (14/172) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.000 -0.257 0.000) 0.257 2.293 ( 0.000 -2.334 -0.000) 2.334 2.308 ( -0.000 6.718 0.000) 6.718 2.339 ( 0.000 1.214 0.000) 1.214 2.422 ( 0.000 3.416 -0.000) 3.416 2.703 ( -0.000 7.852 0.000) 7.852 2.873 ( 0.000 -2.266 0.000) 2.266 2.894 ( 0.000 -0.245 0.000) 0.245 2.950 ( 0.000 3.245 0.000) 3.245 3.225 ( 0.000 -10.556 0.000) 10.556 3.269 ( 0.000 0.872 0.000) 0.872 3.580 ( 0.000 -2.332 0.000) 2.332 3.657 ( 0.000 4.261 0.000) 4.261 3.726 ( 0.000 -0.128 0.000) 0.128 3.873 ( 0.000 5.775 0.000) 5.775 3.885 ( 0.000 2.639 0.000) 2.639 4.009 ( -0.000 3.788 0.000) 3.788 4.347 ( 0.000 -7.140 0.000) 7.140 4.412 ( 0.000 -1.169 -0.000) 1.169 4.438 ( -0.000 3.024 0.000) 3.024 4.741 ( 0.000 -4.067 0.000) 4.067 4.818 ( -0.000 5.836 0.000) 5.836 4.901 ( 0.000 1.326 0.000) 1.326 5.057 ( 0.000 -2.246 0.000) 2.246 5.326 ( 0.000 -2.983 -0.000) 2.983 5.465 ( 0.000 -5.855 0.000) 5.855 5.640 ( -0.000 0.746 0.000) 0.746 5.747 ( 0.000 6.318 0.000) 6.318 5.922 ( 0.000 -6.947 0.000) 6.947 5.978 ( -0.000 -9.192 0.000) 9.192 6.011 ( 0.000 7.127 -0.000) 7.127 6.161 ( -0.000 4.765 0.000) 4.765 6.175 ( 0.000 -2.073 -0.000) 2.073 6.260 ( 0.000 -3.679 0.000) 3.679 6.385 ( 0.000 -2.774 0.000) 2.774 6.928 ( 0.000 -6.240 0.000) 6.240 7.241 ( 0.000 1.693 -0.000) 1.693 7.521 ( 0.000 3.396 0.000) 3.396 7.562 ( -0.000 -2.584 -0.000) 2.584 7.884 ( 0.000 -2.571 0.000) 2.571 8.840 ( 0.000 9.160 0.000) 9.160 9.055 ( 0.000 3.735 0.000) 3.735 9.543 ( -0.000 -3.588 0.000) 3.588 9.687 ( 0.000 -4.758 0.000) 4.758 10.141 ( 0.000 4.996 0.000) 4.996 10.595 ( 0.000 2.193 0.000) 2.193 10.710 ( 0.000 -0.457 0.000) 0.457 10.914 ( 0.000 -5.182 0.000) 5.182 10.960 ( 0.000 -0.430 0.000) 0.430 11.137 ( 0.000 1.179 -0.000) 1.179 11.177 ( -0.000 2.758 0.000) 2.758 11.243 ( 0.000 -2.254 0.000) 2.254 12.660 ( 0.000 1.354 0.000) 1.354 12.781 ( -0.000 0.523 -0.000) 0.523 12.781 ( 0.000 -4.124 0.000) 4.124 12.933 ( 0.000 1.389 0.000) 1.389 16.610 ( 0.000 -0.682 0.000) 0.682 16.656 ( 0.000 -1.136 0.000) 1.136 16.790 ( -0.000 1.027 0.000) 1.027 16.831 ( 0.000 0.121 0.000) 0.121 22.853 ( 0.000 0.822 0.000) 0.822 22.941 ( 0.000 5.380 -0.000) 5.380 22.994 ( 0.000 -1.123 0.000) 1.123 23.189 ( 0.000 -0.464 0.000) 0.464 23.720 ( 0.000 -2.966 0.000) 2.966 24.170 ( 0.000 17.091 0.000) 17.091 24.784 ( 0.000 -17.497 0.000) 17.497 25.258 ( 0.000 3.035 0.000) 3.035 25.483 ( 0.000 1.673 0.000) 1.673 25.956 ( 0.000 15.300 0.000) 15.300 26.592 ( 0.000 -17.124 0.000) 17.124 27.123 ( 0.000 -1.884 0.000) 1.884 ======================= Grid point 26 (15/172) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 23.691 0.000) 23.691 1.252 ( 0.000 27.395 0.000) 27.395 1.790 ( 0.000 -5.052 0.000) 5.052 1.964 ( 0.000 24.510 0.000) 24.510 2.132 ( 0.000 11.518 0.000) 11.518 2.180 ( 0.000 -13.312 0.000) 13.312 2.579 ( 0.000 6.570 0.000) 6.570 2.725 ( 0.000 15.116 0.000) 15.116 2.811 ( 0.000 -4.035 0.000) 4.035 3.033 ( 0.000 -3.573 0.000) 3.573 3.199 ( 0.000 -2.916 0.000) 2.916 3.244 ( 0.000 -5.424 0.000) 5.424 3.260 ( 0.000 1.467 0.000) 1.467 3.746 ( 0.000 3.959 0.000) 3.959 3.782 ( 0.000 -9.396 0.000) 9.396 3.931 ( 0.000 -0.505 0.000) 0.505 3.975 ( 0.000 -9.960 0.000) 9.960 4.074 ( 0.000 -12.332 0.000) 12.332 4.102 ( 0.000 2.474 0.000) 2.474 4.285 ( 0.000 1.540 0.000) 1.540 4.398 ( 0.000 -2.959 0.000) 2.959 4.466 ( 0.000 -16.263 0.000) 16.263 4.482 ( 0.000 3.809 0.000) 3.809 4.787 ( 0.000 -8.025 0.000) 8.025 4.953 ( 0.000 4.466 0.000) 4.466 5.143 ( 0.000 -5.429 0.000) 5.429 5.419 ( 0.000 2.099 0.000) 2.099 5.580 ( 0.000 -4.712 0.000) 4.712 5.816 ( 0.000 9.369 0.000) 9.369 6.047 ( 0.000 0.135 0.000) 0.135 6.076 ( 0.000 5.877 0.000) 5.877 6.099 ( 0.000 4.860 0.000) 4.860 6.149 ( 0.000 -4.859 0.000) 4.859 6.394 ( 0.000 -1.461 0.000) 1.461 6.948 ( 0.000 10.378 0.000) 10.378 7.445 ( 0.000 -11.001 0.000) 11.001 7.601 ( 0.000 1.693 0.000) 1.693 7.707 ( 0.000 -3.490 0.000) 3.490 7.953 ( 0.000 9.794 0.000) 9.794 8.294 ( 0.000 -5.912 0.000) 5.912 8.857 ( 0.000 -1.437 0.000) 1.437 8.861 ( 0.000 -0.930 0.000) 0.930 9.663 ( 0.000 9.755 0.000) 9.755 9.921 ( 0.000 -1.066 0.000) 1.066 10.312 ( 0.000 1.973 0.000) 1.973 10.392 ( 0.000 -4.917 0.000) 4.917 10.543 ( 0.000 0.980 0.000) 0.980 10.790 ( 0.000 -8.368 0.000) 8.368 11.168 ( 0.000 3.351 0.000) 3.351 11.200 ( 0.000 2.886 0.000) 2.886 11.310 ( 0.000 0.529 0.000) 0.529 11.315 ( 0.000 -1.373 0.000) 1.373 12.626 ( 0.000 2.887 0.000) 2.887 12.742 ( 0.000 -1.179 0.000) 1.179 12.838 ( 0.000 6.210 0.000) 6.210 13.127 ( 0.000 -5.626 0.000) 5.626 16.627 ( 0.000 1.018 0.000) 1.018 16.712 ( 0.000 -3.035 0.000) 3.035 16.956 ( 0.000 1.215 0.000) 1.215 16.969 ( 0.000 0.340 0.000) 0.340 23.123 ( 0.000 0.382 0.000) 0.382 23.144 ( 0.000 -0.528 0.000) 0.528 23.191 ( 0.000 2.802 0.000) 2.802 23.305 ( 0.000 -2.367 0.000) 2.367 23.410 ( 0.000 0.981 0.000) 0.981 23.473 ( 0.000 -2.322 0.000) 2.322 24.044 ( 0.000 13.730 0.000) 13.730 24.670 ( 0.000 -14.682 0.000) 14.682 25.445 ( 0.000 7.688 0.000) 7.688 25.794 ( 0.000 -7.822 0.000) 7.822 27.570 ( 0.000 5.533 0.000) 5.533 27.768 ( 0.000 -3.524 0.000) 3.524 ======================= Grid point 27 (16/172) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 5.207 21.596 3.726) 22.525 1.209 ( 1.412 26.638 2.840) 26.826 1.787 ( -0.019 -6.197 1.770) 6.445 2.020 ( 6.306 15.280 -1.304) 16.581 2.184 ( 7.315 -9.770 -2.861) 12.536 2.270 ( 3.475 3.845 7.847) 9.404 2.661 ( 6.209 7.264 0.323) 9.561 2.720 ( 7.377 12.204 -4.505) 14.955 2.895 ( 4.804 0.364 4.963) 6.917 3.027 ( -0.075 -1.698 -0.099) 1.703 3.196 ( -3.000 -2.074 1.029) 3.789 3.247 ( 5.207 -1.482 -2.327) 5.893 3.286 ( 3.852 -3.448 -1.414) 5.359 3.703 ( -2.838 -11.825 -6.820) 13.942 3.748 ( 2.122 3.875 -3.002) 5.342 3.972 ( 2.689 -6.932 -4.015) 8.450 3.990 ( 2.836 -1.099 2.489) 3.931 4.010 ( -1.802 -4.660 3.797) 6.276 4.187 ( 1.576 2.423 0.552) 2.943 4.296 ( 2.310 -1.098 3.738) 4.529 4.327 ( -0.654 -0.907 -2.652) 2.878 4.561 ( 7.648 -7.174 1.772) 10.634 4.703 ( 11.694 -3.427 8.952) 15.121 4.854 ( 5.676 3.435 -2.730) 7.174 5.015 ( 1.954 -6.976 10.586) 12.827 5.203 ( 6.331 -8.850 3.082) 11.309 5.388 ( 0.432 2.555 -3.510) 4.363 5.570 ( 0.909 -3.751 -3.178) 5.000 5.866 ( 2.161 6.128 2.955) 7.139 6.007 ( 0.638 4.449 -6.157) 7.623 6.051 ( -0.776 1.577 -4.587) 4.912 6.089 ( 0.429 1.982 -0.408) 2.068 6.166 ( -2.285 -1.360 5.880) 6.453 6.397 ( -4.276 -2.326 6.147) 7.841 6.901 ( -3.416 9.572 -3.864) 10.874 7.381 ( -6.830 -10.341 -1.677) 12.506 7.547 ( -9.520 2.245 0.381) 9.789 7.651 ( -6.942 -1.663 -2.249) 7.484 7.877 ( -1.206 5.999 -6.193) 8.706 8.117 ( -8.272 -4.285 -8.528) 12.629 8.914 ( 6.093 0.181 -1.670) 6.321 8.940 ( 8.135 -0.895 0.188) 8.186 9.655 ( -2.928 9.156 2.211) 9.864 9.939 ( 0.780 -2.463 1.290) 2.888 10.307 ( -1.511 0.508 -0.141) 1.600 10.393 ( 2.332 -3.552 -0.572) 4.287 10.563 ( 0.666 1.717 1.682) 2.494 10.779 ( -0.922 -5.957 -0.786) 6.079 11.056 ( -6.923 2.886 -0.715) 7.535 11.179 ( -6.995 -2.274 -0.284) 7.361 11.265 ( -0.456 4.222 0.689) 4.302 11.387 ( 2.206 -1.145 1.405) 2.856 12.631 ( 1.477 1.861 -1.507) 2.814 12.702 ( -1.274 -0.947 -4.365) 4.644 12.838 ( -2.146 7.965 4.160) 9.238 13.146 ( -2.861 -5.591 5.177) 8.139 16.639 ( 0.302 0.983 1.563) 1.871 16.717 ( -0.350 -2.783 1.293) 3.089 16.933 ( -2.298 1.196 -0.655) 2.672 16.951 ( -1.606 0.198 -0.968) 1.885 23.071 ( 2.808 3.627 -2.987) 5.474 23.162 ( 1.224 -0.222 -5.783) 5.916 23.197 ( 2.089 1.197 -2.280) 3.316 23.254 ( -0.981 -0.287 -1.588) 1.888 23.568 ( 8.550 0.041 4.987) 9.898 23.716 ( 12.514 -7.924 17.903) 23.236 24.070 ( 3.105 9.091 1.846) 9.783 24.648 ( -3.941 -14.512 1.649) 15.128 25.471 ( 2.884 7.548 0.534) 8.098 25.811 ( 3.115 -7.489 -1.240) 8.205 27.379 ( -16.090 11.605 -7.078) 21.063 27.678 ( -4.911 -4.123 -7.562) 9.915 ======================= Grid point 28 (17/172) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 8.530 17.237 10.367) 21.848 1.444 ( 9.604 14.832 12.524) 21.658 1.864 ( 3.892 -7.877 6.047) 10.666 2.110 ( 8.358 3.636 -2.220) 9.380 2.268 ( 3.719 -12.244 2.006) 12.952 2.403 ( 4.875 -0.427 2.953) 5.715 2.681 ( 7.158 8.844 -8.783) 14.373 2.878 ( 9.173 10.102 -1.746) 13.757 2.983 ( 4.775 -0.364 -4.197) 6.368 3.020 ( -1.118 1.336 -0.346) 1.776 3.235 ( 6.497 0.942 -1.620) 6.762 3.308 ( 4.438 -4.338 6.523) 9.004 3.387 ( 9.096 -4.202 0.805) 10.052 3.590 ( 1.210 -15.369 -7.712) 17.238 3.730 ( -1.018 5.262 -0.659) 5.400 3.955 ( 0.998 -1.074 -5.261) 5.461 4.056 ( 4.182 0.823 4.606) 6.275 4.145 ( 2.878 -0.562 10.007) 10.428 4.203 ( 1.566 3.033 0.528) 3.454 4.284 ( -0.002 -0.308 -1.241) 1.279 4.454 ( 9.248 2.112 3.209) 10.014 4.653 ( 2.996 0.578 -1.356) 3.339 4.883 ( 3.640 11.755 -0.174) 12.306 4.961 ( 7.177 -1.295 3.457) 8.071 5.176 ( 8.798 -7.481 3.871) 12.180 5.381 ( 5.935 -3.158 -3.102) 7.404 5.436 ( 8.559 -11.426 7.981) 16.356 5.520 ( 0.389 -2.559 -6.115) 6.641 5.891 ( 0.295 4.806 -1.421) 5.021 5.942 ( 0.718 3.546 -6.558) 7.490 6.012 ( 2.069 3.303 -1.828) 4.305 6.093 ( 0.446 -2.856 0.460) 2.927 6.221 ( -0.918 -0.393 7.431) 7.497 6.407 ( -7.111 -3.113 10.109) 12.745 6.733 ( -8.846 6.220 -8.939) 14.030 7.141 ( -20.108 -8.561 -6.125) 22.696 7.351 ( -7.778 2.526 -3.306) 8.821 7.469 ( -8.418 -1.791 -3.869) 9.435 7.836 ( 2.391 1.740 -3.441) 4.537 7.983 ( -0.816 -5.089 -3.680) 6.333 8.969 ( 3.769 3.495 -1.785) 5.442 9.079 ( 10.634 -1.660 -2.359) 11.018 9.615 ( -6.255 8.349 2.956) 10.843 9.941 ( -2.696 -5.897 -0.307) 6.491 10.298 ( 1.049 0.771 1.626) 2.083 10.424 ( 1.111 -4.263 -1.792) 4.756 10.610 ( 3.354 4.834 2.721) 6.482 10.747 ( -2.802 1.085 1.264) 3.260 10.994 ( -2.957 -1.802 3.358) 4.824 11.074 ( -6.627 -3.778 0.817) 7.672 11.226 ( -4.217 5.329 -0.754) 6.838 11.414 ( 0.518 -2.947 -0.558) 3.044 12.624 ( -0.842 0.714 -3.437) 3.610 12.638 ( 1.073 -0.190 -2.023) 2.298 12.869 ( -2.387 7.440 6.241) 10.000 13.138 ( -5.198 -4.100 3.981) 7.725 16.671 ( 0.554 0.864 2.529) 2.730 16.729 ( -0.774 -1.990 1.975) 2.909 16.876 ( -3.622 0.982 -0.866) 3.851 16.898 ( -3.046 -0.139 -1.632) 3.459 23.073 ( 0.237 0.382 -3.173) 3.205 23.095 ( -0.541 -0.452 -4.515) 4.570 23.229 ( 3.140 2.506 -5.794) 7.051 23.251 ( 4.212 3.157 1.746) 5.546 23.756 ( 8.838 4.178 2.773) 10.162 23.982 ( 1.768 8.851 6.600) 11.182 24.283 ( 12.530 -17.356 10.566) 23.872 24.604 ( -4.924 -13.731 4.311) 15.211 25.539 ( 4.730 7.310 0.450) 8.718 25.864 ( 6.055 -7.078 -1.751) 9.478 27.015 ( -17.082 17.321 -7.452) 25.443 27.467 ( -8.542 -6.212 -8.911) 13.819 ======================= Grid point 29 (18/172) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 12.441 9.178 13.248) 20.359 1.736 ( 7.786 7.342 13.812) 17.473 2.024 ( 3.799 -7.003 9.104) 12.098 2.225 ( 4.440 -9.281 3.014) 10.721 2.371 ( 6.464 -4.492 4.739) 9.188 2.498 ( 5.662 -4.657 -0.416) 7.343 2.705 ( 7.279 8.155 -5.947) 12.444 2.864 ( 4.373 9.190 -11.256) 15.175 2.955 ( -2.283 -3.589 -3.254) 5.355 3.067 ( 5.860 4.099 -2.492) 7.573 3.259 ( 1.861 -6.377 -1.654) 6.846 3.524 ( 8.349 0.610 3.716) 9.159 3.536 ( 8.679 -8.664 -1.530) 12.358 3.642 ( 11.633 -8.041 1.898) 14.268 3.733 ( 2.167 7.313 0.766) 7.666 3.879 ( -0.402 2.659 -7.272) 7.754 4.144 ( -4.252 2.650 9.295) 10.559 4.211 ( 2.683 3.347 -5.537) 7.004 4.286 ( -0.019 -1.502 8.409) 8.542 4.356 ( 7.647 -1.585 1.012) 7.875 4.621 ( 7.421 3.652 1.174) 8.354 4.668 ( 4.333 2.552 -2.325) 5.540 4.912 ( 2.468 13.631 -1.994) 13.996 5.042 ( -3.232 5.678 4.351) 7.850 5.331 ( 7.198 4.235 -5.662) 10.090 5.446 ( 6.678 -9.748 5.827) 13.174 5.480 ( 5.242 -3.273 -9.288) 11.156 5.633 ( 8.813 -5.242 1.769) 10.406 5.891 ( 1.382 2.518 -1.299) 3.152 5.910 ( 1.807 7.004 -1.209) 7.334 6.019 ( 2.271 -0.354 -4.414) 4.977 6.137 ( 1.654 -5.706 3.835) 7.071 6.311 ( 0.893 -1.918 8.042) 8.316 6.355 ( -13.689 3.143 1.160) 14.093 6.499 ( -4.509 -6.562 -2.373) 8.308 6.704 ( -20.439 -9.789 -10.710) 25.066 7.254 ( -2.951 1.308 0.099) 3.229 7.347 ( -4.441 -1.799 0.037) 4.791 7.839 ( 1.528 -0.200 -1.963) 2.496 7.940 ( -0.952 -4.764 -2.835) 5.625 8.998 ( 2.303 6.604 -1.096) 7.079 9.198 ( 10.347 -1.877 -5.634) 11.930 9.539 ( -8.645 5.723 4.553) 11.323 9.840 ( -7.107 -6.919 -2.996) 10.362 10.365 ( -0.276 0.892 0.624) 1.123 10.404 ( 2.596 -1.022 2.192) 3.548 10.731 ( -2.926 3.130 3.190) 5.342 10.742 ( 6.781 4.226 4.598) 9.218 10.973 ( -6.397 -2.276 1.375) 6.927 11.033 ( 0.883 -4.961 2.250) 5.519 11.139 ( -4.496 5.795 -1.210) 7.433 11.389 ( -1.540 -4.819 -2.191) 5.513 12.578 ( -0.013 1.403 -2.116) 2.539 12.648 ( 1.381 -1.630 -0.174) 2.143 12.899 ( -2.778 5.620 5.290) 8.203 13.085 ( -5.958 -2.391 2.024) 6.731 16.709 ( 0.304 0.472 1.961) 2.040 16.727 ( -1.999 -0.408 0.640) 2.139 16.819 ( -2.798 -0.033 0.746) 2.896 16.825 ( -3.588 -0.269 -1.334) 3.838 23.014 ( -2.050 0.766 -2.591) 3.391 23.049 ( 0.378 -0.580 -3.960) 4.020 23.176 ( -0.322 4.593 -5.549) 7.211 23.338 ( 4.184 -1.732 -0.938) 4.624 23.848 ( 2.416 8.313 -3.499) 9.337 24.105 ( 5.592 13.709 7.952) 16.806 24.462 ( -2.324 -19.093 4.497) 19.753 24.706 ( 7.267 -13.753 10.216) 18.610 25.612 ( 4.611 7.476 -1.083) 8.850 25.955 ( 7.583 -7.863 -1.054) 10.974 26.710 ( -12.685 16.722 -4.621) 21.492 27.235 ( -8.122 -8.256 -6.923) 13.492 ======================= Grid point 30 (19/172) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 3.804 6.900 11.619) 14.039 2.035 ( 13.494 3.651 7.808) 16.012 2.155 ( 0.078 -4.899 6.268) 7.956 2.315 ( 2.653 -9.915 4.115) 11.058 2.565 ( 6.489 -3.005 7.539) 10.391 2.577 ( 5.578 -4.002 -0.945) 6.930 2.750 ( 2.042 6.350 -0.678) 6.705 2.821 ( 5.964 9.020 -9.455) 14.364 2.922 ( 4.135 -1.170 -0.906) 4.392 3.089 ( 0.932 -2.175 0.010) 2.366 3.279 ( 1.565 -5.481 -0.169) 5.703 3.582 ( -2.669 1.334 -1.520) 3.349 3.663 ( 12.358 -2.847 -5.142) 13.685 3.751 ( 1.177 -0.141 -5.794) 5.914 3.843 ( 6.772 2.724 5.840) 9.348 3.883 ( 7.646 1.701 -0.362) 7.841 4.122 ( -2.961 2.551 -4.590) 6.029 4.205 ( 2.259 1.728 2.047) 3.504 4.340 ( -4.494 -1.482 5.644) 7.365 4.456 ( 2.511 -3.657 2.910) 5.305 4.688 ( 3.422 2.701 -4.974) 6.615 4.753 ( 8.076 -0.626 -0.787) 8.138 4.941 ( 2.452 11.826 0.705) 12.098 4.999 ( -5.353 6.740 4.191) 9.573 5.305 ( -0.237 6.089 -9.890) 11.617 5.519 ( 10.608 2.411 -1.859) 11.036 5.597 ( 4.590 -5.501 0.823) 7.211 5.769 ( 3.844 1.286 -0.788) 4.129 5.869 ( 2.248 -1.131 -4.546) 5.196 5.946 ( 1.669 3.728 0.537) 4.119 5.987 ( 2.131 -0.895 -2.408) 3.338 6.142 ( -7.910 -3.712 -4.473) 9.816 6.194 ( -1.195 0.636 1.096) 1.742 6.290 ( -11.687 -14.222 -2.854) 18.628 6.449 ( -3.082 -5.119 4.343) 7.386 6.510 ( 4.318 -5.572 5.572) 8.985 7.245 ( -0.743 1.663 2.544) 3.129 7.327 ( -1.171 -0.944 3.822) 4.108 7.824 ( -0.415 -1.610 -2.912) 3.353 7.875 ( -2.509 -3.376 -2.991) 5.161 9.020 ( 2.067 9.268 -0.595) 9.514 9.242 ( 5.147 2.894 -7.936) 9.892 9.489 ( -5.178 -2.225 6.348) 8.488 9.674 ( -8.420 -6.158 -3.397) 10.970 10.330 ( -1.868 5.272 -0.287) 5.600 10.521 ( 2.669 -2.853 6.124) 7.264 10.721 ( -1.780 2.275 1.421) 3.219 10.839 ( -4.054 -2.390 0.841) 4.781 10.952 ( 5.878 3.037 3.090) 7.303 11.051 ( -0.654 3.465 -1.790) 3.954 11.107 ( 0.523 -1.470 2.484) 2.933 11.324 ( -3.204 -5.406 -1.887) 6.561 12.579 ( 1.866 1.559 -0.083) 2.433 12.675 ( 1.508 -2.447 0.801) 2.984 12.901 ( -3.522 3.544 2.898) 5.776 13.011 ( -5.357 -1.215 0.818) 5.554 16.672 ( -3.055 0.381 -1.260) 3.326 16.709 ( -2.270 -1.183 -1.332) 2.886 16.786 ( -0.656 0.911 1.582) 1.940 16.814 ( -1.165 -0.468 2.447) 2.750 22.955 ( -1.646 1.431 -2.517) 3.330 23.009 ( 0.383 -0.972 -3.708) 3.852 23.103 ( -1.560 5.594 -3.481) 6.771 23.332 ( -0.867 -5.115 -4.445) 6.832 23.804 ( -0.868 9.986 -3.202) 10.523 24.313 ( 7.151 16.964 8.226) 20.164 24.445 ( -3.305 -18.542 1.758) 18.916 24.943 ( 7.262 -10.573 9.071) 15.711 25.644 ( 2.632 7.888 -3.337) 8.960 26.063 ( 6.482 -10.209 0.281) 12.097 26.506 ( -8.051 14.428 -3.144) 16.819 27.073 ( -4.820 -9.571 -3.067) 11.146 ======================= Grid point 31 (20/172) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.002 3.713 7.008) 7.931 2.199 ( 0.632 -4.469 1.781) 4.852 2.292 ( 9.443 3.522 3.508) 10.672 2.383 ( 2.794 -0.823 0.857) 3.036 2.606 ( 0.931 3.580 -4.810) 6.068 2.718 ( 1.320 -1.151 5.244) 5.529 2.783 ( 4.175 0.635 3.803) 5.683 2.844 ( 2.617 0.555 1.663) 3.150 2.998 ( 8.069 6.827 -5.712) 12.015 3.143 ( -1.456 -2.708 5.179) 6.023 3.299 ( 0.499 -4.676 2.759) 5.452 3.483 ( -3.490 2.914 -2.891) 5.388 3.682 ( -0.170 -1.602 -5.971) 6.185 3.735 ( 3.640 -2.451 -5.982) 7.419 3.928 ( 2.381 3.019 -2.879) 4.803 4.021 ( 5.112 5.487 5.143) 9.093 4.092 ( 5.131 1.257 -1.226) 5.423 4.245 ( -10.227 1.923 10.594) 14.850 4.320 ( 5.154 -5.714 -5.698) 9.575 4.502 ( -2.019 -7.131 2.630) 7.864 4.645 ( 2.066 7.307 -5.076) 9.133 4.857 ( 5.072 -1.102 0.000) 5.190 4.963 ( -1.503 6.207 0.094) 6.387 5.013 ( 1.032 4.797 3.271) 5.897 5.223 ( 3.690 0.363 -4.590) 5.900 5.509 ( -6.632 -5.108 -9.715) 12.824 5.666 ( 4.614 1.310 -0.853) 4.872 5.761 ( 5.139 3.409 -1.377) 6.318 5.868 ( -4.183 -2.084 2.254) 5.188 5.890 ( -7.736 -7.411 -5.220) 11.917 6.016 ( 7.867 -4.727 -2.401) 9.487 6.065 ( 4.585 1.722 1.811) 5.222 6.199 ( -3.490 -4.419 2.255) 6.065 6.239 ( 2.499 3.637 1.128) 4.555 6.408 ( -6.352 -1.616 2.288) 6.942 6.678 ( 5.915 -8.465 4.728) 11.358 7.275 ( 0.295 2.824 2.374) 3.701 7.395 ( 2.016 -1.032 6.061) 6.470 7.725 ( -4.723 -0.055 -5.705) 7.406 7.827 ( -0.728 -3.554 -1.369) 3.877 9.050 ( 2.142 11.235 -0.147) 11.438 9.195 ( -0.280 6.395 -4.274) 7.697 9.493 ( -3.144 -7.062 -0.472) 7.745 9.541 ( -3.448 -6.612 1.479) 7.602 10.301 ( -1.665 7.954 -0.040) 8.127 10.607 ( -0.005 -1.672 5.045) 5.314 10.721 ( 0.128 0.101 0.399) 0.431 10.761 ( -3.289 -4.774 -1.767) 6.061 11.023 ( -0.814 3.788 -0.299) 3.886 11.098 ( 7.038 1.563 1.637) 7.393 11.148 ( 1.852 -0.547 0.127) 1.935 11.257 ( -4.276 -3.832 0.683) 5.782 12.629 ( 3.261 1.043 1.210) 3.631 12.707 ( 1.133 -2.533 0.673) 2.855 12.856 ( -4.177 2.501 0.153) 4.871 12.952 ( -3.058 -1.085 0.594) 3.299 16.619 ( -1.869 0.015 -0.822) 2.042 16.653 ( -1.979 -1.425 -1.320) 2.773 16.804 ( 0.153 1.005 1.206) 1.578 16.827 ( -0.503 -0.145 1.626) 1.708 22.905 ( -1.068 1.749 -2.074) 2.916 22.976 ( 0.362 -1.471 -2.604) 3.013 23.060 ( -0.758 5.461 -0.537) 5.539 23.235 ( -3.122 -3.053 -4.634) 6.367 23.770 ( -0.280 8.564 -1.002) 8.627 24.411 ( -2.534 -19.110 1.104) 19.309 24.491 ( 4.951 19.080 4.344) 20.185 25.133 ( 4.930 -7.760 6.277) 11.132 25.619 ( 0.227 8.147 -3.845) 9.011 26.153 ( 3.748 -14.107 1.177) 14.644 26.377 ( -4.192 14.692 -2.635) 15.504 27.007 ( -1.587 -10.290 -0.377) 10.418 ======================= Grid point 32 (21/172) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 1.862 0.000) 1.862 2.217 ( 0.000 -4.873 -0.000) 4.873 2.382 ( 0.000 2.756 -0.000) 2.756 2.429 ( 0.000 3.614 0.000) 3.614 2.560 ( 0.000 9.228 -0.000) 9.228 2.780 ( 0.000 -2.271 0.000) 2.271 2.807 ( 0.000 0.092 0.000) 0.092 2.928 ( 0.000 -0.426 0.000) 0.426 3.064 ( 0.000 0.182 0.000) 0.182 3.091 ( -0.000 6.660 0.000) 6.660 3.330 ( 0.000 2.686 0.000) 2.686 3.461 ( 0.000 -8.756 -0.000) 8.756 3.629 ( 0.000 -1.949 0.000) 1.949 3.708 ( 0.000 -0.360 0.000) 0.360 3.936 ( 0.000 2.928 0.000) 2.928 4.095 ( 0.000 10.940 0.000) 10.940 4.150 ( -0.000 7.916 0.000) 7.916 4.180 ( 0.000 -7.748 -0.000) 7.748 4.365 ( 0.000 -3.409 -0.000) 3.409 4.460 ( -0.000 -4.717 0.000) 4.717 4.658 ( 0.000 2.396 0.000) 2.396 4.898 ( -0.000 -0.906 0.000) 0.906 4.967 ( 0.000 2.882 0.000) 2.882 5.038 ( -0.000 1.944 -0.000) 1.944 5.284 ( 0.000 -1.567 0.000) 1.567 5.301 ( -0.000 -8.786 -0.000) 8.786 5.696 ( 0.000 3.774 0.000) 3.774 5.791 ( 0.000 -6.815 -0.000) 6.815 5.813 ( -0.000 -2.345 0.000) 2.345 5.846 ( 0.000 2.581 -0.000) 2.581 6.094 ( -0.000 -5.290 0.000) 5.290 6.108 ( 0.000 -2.518 -0.000) 2.518 6.165 ( 0.000 0.831 0.000) 0.831 6.321 ( -0.001 9.647 -0.000) 9.647 6.322 ( 0.001 -3.398 0.000) 3.398 6.758 ( 0.000 -9.906 0.000) 9.906 7.295 ( 0.000 3.660 -0.000) 3.660 7.489 ( 0.000 -4.454 0.000) 4.454 7.610 ( 0.000 4.929 -0.000) 4.929 7.812 ( 0.000 -4.364 0.000) 4.364 9.070 ( 0.000 12.198 0.000) 12.198 9.164 ( 0.000 6.833 0.000) 6.833 9.439 ( -0.000 -6.360 0.000) 6.360 9.546 ( 0.000 -8.750 0.000) 8.750 10.285 ( 0.000 8.831 0.000) 8.831 10.652 ( 0.000 3.020 0.000) 3.020 10.692 ( -0.000 -4.916 -0.000) 4.916 10.741 ( 0.000 -5.707 0.000) 5.707 11.016 ( -0.000 3.345 0.000) 3.345 11.162 ( 0.000 -0.154 -0.000) 0.154 11.184 ( -0.000 -2.039 0.000) 2.039 11.210 ( 0.000 0.463 -0.000) 0.463 12.681 ( 0.000 0.445 0.000) 0.445 12.713 ( 0.000 -2.342 0.000) 2.342 12.813 ( 0.000 2.687 0.000) 2.687 12.931 ( 0.000 -1.514 0.000) 1.514 16.599 ( 0.000 -0.214 0.000) 0.214 16.628 ( 0.000 -1.410 0.000) 1.410 16.813 ( 0.000 1.011 0.000) 1.011 16.833 ( 0.000 -0.025 0.000) 0.025 22.883 ( 0.000 1.834 0.000) 1.834 22.963 ( 0.000 -1.811 0.000) 1.811 23.057 ( 0.000 5.171 0.000) 5.171 23.173 ( 0.000 -1.181 0.000) 1.181 23.764 ( 0.000 7.490 0.000) 7.490 24.396 ( 0.000 -19.647 0.000) 19.647 24.558 ( 0.000 20.202 0.000) 20.202 25.217 ( 0.000 -7.401 0.000) 7.401 25.589 ( 0.000 8.646 0.000) 8.646 26.195 ( 0.000 -19.958 -0.000) 19.958 26.323 ( 0.000 19.343 0.000) 19.343 26.996 ( 0.000 -10.571 0.000) 10.571 ======================= Grid point 39 (22/172) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 -20.158 0.000) 20.158 1.468 ( 0.000 20.158 0.000) 20.158 1.758 ( 0.000 -21.818 0.000) 21.818 1.758 ( 0.000 21.818 0.000) 21.818 2.300 ( 0.000 -1.555 0.000) 1.555 2.300 ( 0.000 1.555 0.000) 1.555 2.739 ( 0.000 -3.935 0.000) 3.935 2.739 ( 0.000 3.935 0.000) 3.935 3.048 ( 0.000 -10.756 0.000) 10.756 3.048 ( 0.000 10.756 0.000) 10.756 3.112 ( 0.000 -12.421 0.000) 12.421 3.112 ( 0.000 12.421 0.000) 12.421 3.390 ( 0.000 -16.815 0.000) 16.815 3.390 ( 0.000 16.815 0.000) 16.815 3.836 ( 0.000 -4.783 0.000) 4.783 3.836 ( 0.000 4.783 0.000) 4.783 3.932 ( 0.000 -2.396 0.000) 2.396 3.932 ( 0.000 2.396 0.000) 2.396 4.204 ( 0.000 -8.296 0.000) 8.296 4.204 ( 0.000 8.296 0.000) 8.296 4.342 ( 0.000 -3.015 0.000) 3.015 4.342 ( 0.000 3.015 0.000) 3.015 4.614 ( 0.000 -8.405 0.000) 8.405 4.614 ( 0.000 8.405 0.000) 8.405 5.049 ( 0.000 -4.550 0.000) 4.550 5.049 ( 0.000 4.550 0.000) 4.550 5.485 ( 0.000 -4.185 0.000) 4.185 5.485 ( 0.000 4.185 0.000) 4.185 5.986 ( 0.000 -6.632 0.000) 6.632 5.986 ( 0.000 6.632 0.000) 6.632 6.088 ( 0.000 -0.617 0.000) 0.617 6.088 ( 0.000 0.617 0.000) 0.617 6.287 ( 0.000 -8.061 0.000) 8.061 6.287 ( 0.000 8.061 0.000) 8.061 7.194 ( 0.000 -12.829 0.000) 12.829 7.194 ( 0.000 12.829 0.000) 12.829 7.646 ( 0.000 -2.560 0.000) 2.560 7.646 ( 0.000 2.560 0.000) 2.560 8.145 ( 0.000 -8.573 0.000) 8.573 8.145 ( 0.000 8.573 0.000) 8.573 8.847 ( 0.000 -0.277 0.000) 0.277 8.847 ( 0.000 0.277 0.000) 0.277 9.842 ( 0.000 -6.889 0.000) 6.889 9.842 ( 0.000 6.889 0.000) 6.889 10.332 ( 0.000 -0.996 0.000) 0.996 10.332 ( 0.000 0.996 0.000) 0.996 10.629 ( 0.000 -6.784 0.000) 6.784 10.629 ( 0.000 6.784 0.000) 6.784 11.221 ( 0.000 -1.295 0.000) 1.295 11.221 ( 0.000 1.295 0.000) 1.295 11.304 ( 0.000 -0.525 0.000) 0.525 11.304 ( 0.000 0.525 0.000) 0.525 12.689 ( 0.000 -3.101 0.000) 3.101 12.689 ( 0.000 3.101 0.000) 3.101 12.990 ( 0.000 -7.521 0.000) 7.521 12.990 ( 0.000 7.521 0.000) 7.521 16.659 ( 0.000 -2.105 0.000) 2.105 16.659 ( 0.000 2.105 0.000) 2.105 16.971 ( 0.000 -0.258 0.000) 0.258 16.971 ( 0.000 0.258 0.000) 0.258 23.133 ( 0.000 -0.530 0.000) 0.530 23.133 ( 0.000 0.530 0.000) 0.530 23.251 ( 0.000 -2.888 0.000) 2.888 23.251 ( 0.000 2.888 0.000) 2.888 23.435 ( 0.000 -1.505 0.000) 1.505 23.435 ( 0.000 1.505 0.000) 1.505 24.351 ( 0.000 -15.844 0.000) 15.844 24.351 ( 0.000 15.844 0.000) 15.844 25.619 ( 0.000 -8.945 0.000) 8.945 25.619 ( 0.000 8.945 0.000) 8.945 27.680 ( 0.000 -5.001 0.000) 5.001 27.680 ( 0.000 5.001 0.000) 5.001 ======================= Grid point 41 (23/172) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.427 -17.463 3.996) 18.078 1.517 ( 2.427 17.463 3.996) 18.078 1.740 ( -0.110 -23.791 -0.340) 23.794 1.740 ( -0.110 23.791 -0.340) 23.794 2.298 ( 4.033 -5.833 -5.086) 8.727 2.298 ( 4.033 5.833 -5.086) 8.727 2.791 ( 6.505 -5.137 -1.201) 8.376 2.791 ( 6.505 5.137 -1.201) 8.376 3.079 ( 0.465 -8.881 3.815) 9.677 3.079 ( 0.465 8.881 3.815) 9.677 3.141 ( 2.815 -11.563 2.136) 12.091 3.141 ( 2.815 11.563 2.136) 12.091 3.357 ( 0.433 -13.345 -6.753) 14.962 3.357 ( 0.433 13.345 -6.753) 14.962 3.848 ( 1.901 -5.382 -1.228) 5.838 3.848 ( 1.901 5.382 -1.228) 5.838 3.964 ( 3.184 -1.249 3.904) 5.191 3.964 ( 3.184 1.249 3.904) 5.191 4.279 ( -2.505 -3.954 1.229) 4.839 4.279 ( -2.505 3.954 1.229) 4.839 4.350 ( 10.764 -6.920 2.077) 12.964 4.350 ( 10.764 6.920 2.077) 12.964 4.778 ( 9.721 -7.143 9.077) 15.096 4.778 ( 9.721 7.143 9.077) 15.096 5.053 ( 0.889 -6.463 0.524) 6.545 5.053 ( 0.889 6.463 0.524) 6.545 5.473 ( 1.664 -5.073 -4.258) 6.829 5.473 ( 1.664 5.073 -4.258) 6.829 5.995 ( 0.461 -5.621 0.467) 5.659 5.995 ( 0.461 5.621 0.467) 5.659 6.064 ( 0.019 -0.190 -3.768) 3.773 6.064 ( 0.019 0.190 -3.768) 3.773 6.284 ( -3.441 -7.666 4.345) 9.460 6.284 ( -3.441 7.666 4.345) 9.460 7.137 ( -5.478 -12.554 -2.683) 13.958 7.137 ( -5.478 12.554 -2.683) 13.958 7.603 ( -7.043 -2.819 -0.430) 7.598 7.603 ( -7.043 2.819 -0.430) 7.598 8.006 ( -6.400 -6.170 -7.862) 11.868 8.006 ( -6.400 6.170 -7.862) 11.868 8.923 ( 7.855 -0.662 -0.451) 7.896 8.923 ( 7.855 0.662 -0.451) 7.896 9.834 ( -1.854 -7.608 0.800) 7.871 9.834 ( -1.854 7.608 0.800) 7.871 10.332 ( 0.481 -2.237 -0.437) 2.330 10.332 ( 0.481 2.237 -0.437) 2.330 10.649 ( 1.289 -6.015 1.695) 6.381 10.649 ( 1.289 6.015 1.695) 6.381 11.122 ( -7.829 -3.189 -0.964) 8.508 11.122 ( -7.829 3.189 -0.964) 8.508 11.343 ( 0.984 -3.099 0.836) 3.358 11.343 ( 0.984 3.099 0.836) 3.358 12.670 ( 0.161 -1.893 -3.055) 3.598 12.670 ( 0.161 1.893 -3.055) 3.598 13.005 ( -2.532 -7.901 5.260) 9.823 13.005 ( -2.532 7.901 5.260) 9.823 16.668 ( 0.058 -1.930 1.519) 2.457 16.668 ( 0.058 1.930 1.519) 2.457 16.949 ( -2.017 -0.395 -0.874) 2.234 16.949 ( -2.017 0.395 -0.874) 2.234 23.129 ( 2.441 -2.261 -5.601) 6.514 23.129 ( 2.441 2.261 -5.601) 6.514 23.236 ( 1.182 -1.584 -0.109) 1.979 23.236 ( 1.182 1.584 -0.109) 1.979 23.598 ( 9.584 -3.327 10.552) 14.638 23.598 ( 9.584 3.327 10.552) 14.638 24.337 ( -2.184 -15.098 0.711) 15.271 24.337 ( -2.184 15.098 0.711) 15.271 25.641 ( 3.051 -8.694 -0.279) 9.218 25.641 ( 3.051 8.694 -0.279) 9.218 27.564 ( -9.314 -7.049 -6.010) 13.136 27.564 ( -9.314 7.049 -6.010) 13.136 ======================= Grid point 43 (24/172) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 3.157 -15.106 7.205) 17.032 1.620 ( 3.157 15.106 7.205) 17.032 1.803 ( 3.089 -19.482 6.892) 20.895 1.803 ( 3.089 19.482 6.892) 20.895 2.321 ( 7.674 -6.175 -5.850) 11.456 2.321 ( 7.674 6.175 -5.850) 11.456 2.852 ( 3.667 -7.689 -3.160) 9.086 2.852 ( 3.667 7.689 -3.160) 9.086 3.138 ( 4.361 -1.358 -1.350) 4.763 3.138 ( 4.361 1.358 -1.350) 4.763 3.230 ( 1.633 -12.381 -5.969) 13.841 3.230 ( 1.633 12.381 -5.968) 13.841 3.311 ( 8.095 -2.475 3.380) 9.115 3.311 ( 8.095 2.475 3.380) 9.115 3.869 ( 2.171 -6.682 -1.333) 7.151 3.869 ( 2.171 6.682 -1.333) 7.151 4.100 ( 3.106 -2.930 8.605) 9.606 4.100 ( 3.106 2.930 8.605) 9.606 4.259 ( 1.107 -2.144 -1.040) 2.627 4.259 ( 1.107 2.144 -1.040) 2.627 4.571 ( 10.360 -7.359 2.202) 12.897 4.571 ( 10.360 7.359 2.202) 12.897 5.011 ( 6.105 -6.670 6.234) 10.983 5.011 ( 6.105 6.670 6.234) 10.983 5.151 ( 9.055 -13.294 4.927) 16.823 5.151 ( 9.055 13.294 4.927) 16.823 5.438 ( 3.362 -4.456 -7.585) 9.417 5.438 ( 3.362 4.456 -7.585) 9.417 5.995 ( 0.335 -4.713 -2.709) 5.446 5.995 ( 0.335 4.713 -2.709) 5.446 6.026 ( 0.536 -2.907 -1.080) 3.147 6.026 ( 0.536 2.907 -1.080) 3.147 6.292 ( -4.517 -6.292 7.398) 10.711 6.292 ( -4.517 6.292 7.398) 10.711 6.928 ( -15.059 -11.200 -7.438) 20.187 6.928 ( -15.059 11.200 -7.438) 20.187 7.416 ( -9.570 -3.243 -3.636) 10.739 7.416 ( -9.570 3.243 -3.636) 10.739 7.891 ( 0.411 -3.661 -4.401) 5.739 7.891 ( 0.411 3.661 -4.401) 5.739 9.034 ( 7.750 -2.721 -1.832) 8.415 9.034 ( 7.750 2.721 -1.832) 8.415 9.790 ( -5.074 -8.362 0.421) 9.791 9.790 ( -5.074 8.362 0.421) 9.791 10.343 ( 1.480 -3.340 0.179) 3.657 10.343 ( 1.480 3.340 0.179) 3.657 10.709 ( 2.668 -4.241 3.093) 5.888 10.709 ( 2.668 4.241 3.093) 5.888 11.005 ( -7.136 -2.624 1.608) 7.771 11.005 ( -7.136 2.624 1.608) 7.771 11.334 ( -1.851 -4.809 -1.015) 5.251 11.334 ( -1.851 4.809 -1.015) 5.251 12.634 ( 0.054 -0.283 -2.929) 2.943 12.634 ( 0.054 0.283 -2.929) 2.943 13.021 ( -4.161 -6.995 5.809) 9.999 13.021 ( -4.161 6.995 5.809) 9.999 16.694 ( 0.065 -1.427 2.435) 2.823 16.694 ( 0.065 1.427 2.435) 2.823 16.891 ( -3.484 -0.545 -1.413) 3.799 16.891 ( -3.484 0.545 -1.413) 3.799 23.083 ( -0.338 -0.609 -3.924) 3.985 23.083 ( -0.338 0.609 -3.924) 3.985 23.271 ( 4.098 -1.058 -2.890) 5.125 23.271 ( 4.098 1.058 -2.890) 5.125 23.906 ( 11.552 -10.307 10.290) 18.589 23.906 ( 11.552 10.307 10.290) 18.589 24.314 ( -2.281 -13.455 2.686) 13.909 24.314 ( -2.281 13.455 2.686) 13.909 25.703 ( 5.404 -8.299 -0.710) 9.929 25.703 ( 5.404 8.299 -0.710) 9.929 27.296 ( -13.021 -10.691 -7.760) 18.549 27.296 ( -13.021 10.691 -7.760) 18.549 ======================= Grid point 45 (25/172) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 6.685 -8.397 11.203) 15.515 1.811 ( 6.685 8.397 11.203) 15.515 1.958 ( 2.896 -8.871 9.912) 13.614 1.958 ( 2.896 8.871 9.912) 13.614 2.399 ( 8.220 -4.002 -1.713) 9.302 2.399 ( 8.220 4.002 -1.713) 9.302 2.850 ( 0.810 -6.002 -1.762) 6.307 2.850 ( 0.810 6.002 -1.762) 6.307 3.091 ( 1.265 -7.415 -10.537) 12.946 3.091 ( 1.265 7.415 -10.537) 12.946 3.242 ( 7.859 -11.662 -3.069) 14.394 3.242 ( 7.859 11.662 -3.069) 14.394 3.573 ( 13.215 -2.056 6.658) 14.940 3.573 ( 13.215 2.056 6.658) 14.940 3.863 ( 0.967 -4.155 -3.820) 5.726 3.863 ( 0.967 4.155 -3.820) 5.726 4.209 ( -2.452 -3.647 6.754) 8.058 4.209 ( -2.452 3.647 6.754) 8.058 4.300 ( 4.656 -3.201 0.245) 5.655 4.300 ( 4.656 3.201 0.245) 5.655 4.682 ( 5.286 -1.398 -2.346) 5.950 4.682 ( 5.286 1.398 -2.346) 5.950 5.132 ( -1.827 -6.661 4.756) 8.386 5.132 ( -1.827 6.661 4.756) 8.386 5.345 ( 12.537 -6.674 -2.266) 14.382 5.345 ( 12.537 6.674 -2.266) 14.382 5.460 ( 8.525 -7.675 -0.912) 11.508 5.460 ( 8.525 7.675 -0.912) 11.508 5.966 ( -0.017 -3.102 -2.096) 3.744 5.966 ( -0.017 3.102 -2.096) 3.744 6.057 ( 4.181 -3.199 -0.232) 5.270 6.057 ( 4.181 3.199 -0.232) 5.270 6.307 ( -7.093 -4.459 7.631) 11.332 6.307 ( -7.093 4.459 7.631) 11.332 6.533 ( -16.817 -7.381 -10.822) 21.317 6.533 ( -16.817 7.381 -10.822) 21.317 7.298 ( -3.662 -2.665 0.409) 4.547 7.298 ( -3.662 2.665 0.409) 4.547 7.861 ( 0.616 -2.543 -3.184) 4.121 7.861 ( 0.616 2.543 -3.184) 4.121 9.121 ( 6.873 -5.217 -2.402) 8.957 9.121 ( 6.873 5.217 -2.402) 8.957 9.685 ( -8.334 -7.849 -0.279) 11.452 9.685 ( -8.334 7.849 -0.279) 11.452 10.384 ( 2.012 -0.968 1.865) 2.909 10.384 ( 2.012 0.968 1.865) 2.909 10.784 ( 0.680 -1.329 3.132) 3.469 10.784 ( 0.680 1.329 3.132) 3.469 10.954 ( -1.790 -1.873 2.695) 3.738 10.954 ( -1.790 1.873 2.695) 3.738 11.272 ( -3.418 -6.442 -2.005) 7.563 11.272 ( -3.418 6.442 -2.005) 7.563 12.612 ( 0.591 -1.808 -1.335) 2.324 12.612 ( 0.591 1.808 -1.335) 2.324 13.010 ( -4.953 -4.816 4.150) 8.059 13.010 ( -4.953 4.816 4.150) 8.059 16.719 ( -0.627 -0.447 1.482) 1.670 16.719 ( -0.627 0.447 1.482) 1.670 16.820 ( -3.408 -0.167 -0.498) 3.448 16.820 ( -3.408 0.167 -0.498) 3.448 23.032 ( -0.729 -0.953 -3.200) 3.417 23.032 ( -0.729 0.953 -3.200) 3.417 23.273 ( 1.542 -4.351 -4.385) 6.367 23.273 ( 1.542 4.351 -4.385) 6.367 24.094 ( 1.594 -15.369 1.676) 15.542 24.094 ( 1.594 15.369 1.676) 15.542 24.410 ( 6.629 -14.980 9.792) 19.085 24.410 ( 6.629 14.980 9.792) 19.085 25.781 ( 6.037 -8.664 -1.737) 10.702 25.781 ( 6.037 8.664 -1.737) 10.702 27.017 ( -11.494 -12.972 -5.748) 18.260 27.017 ( -11.494 12.972 -5.748) 18.260 ======================= Grid point 47 (26/172) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.553 -6.929 8.111) 10.969 2.022 ( 2.553 6.929 8.111) 10.969 2.139 ( 7.540 -5.303 8.953) 12.850 2.139 ( 7.540 5.303 8.953) 12.850 2.532 ( 7.300 -0.245 3.194) 7.972 2.532 ( 7.300 0.245 3.194) 7.972 2.838 ( -0.115 -3.092 -2.204) 3.799 2.838 ( -0.115 3.092 -2.204) 3.799 3.031 ( 2.484 -4.372 -2.121) 5.457 3.031 ( 2.484 4.372 -2.121) 5.457 3.337 ( 8.330 -12.238 -3.193) 15.144 3.337 ( 8.330 12.238 -3.193) 15.144 3.745 ( 2.722 -3.259 -5.159) 6.682 3.745 ( 2.722 3.259 -5.159) 6.682 3.895 ( 6.758 -1.275 4.514) 8.226 3.895 ( 6.758 1.275 4.514) 8.226 4.190 ( 0.972 -3.174 -6.245) 7.073 4.190 ( 0.972 3.174 -6.245) 7.073 4.359 ( -3.689 -4.072 7.271) 9.113 4.359 ( -3.689 4.072 7.271) 9.113 4.731 ( 5.909 -1.526 -3.031) 6.814 4.731 ( 5.909 1.526 -3.031) 6.814 5.093 ( -4.057 -0.465 1.145) 4.241 5.093 ( -4.057 0.465 1.145) 4.241 5.453 ( 4.051 -7.843 -5.210) 10.250 5.453 ( 4.051 7.843 -5.210) 10.250 5.638 ( 11.489 -10.195 1.136) 15.402 5.638 ( 11.489 10.195 1.136) 15.402 5.915 ( -4.465 -4.935 -4.409) 7.983 5.915 ( -4.465 4.935 -4.409) 7.983 6.048 ( -8.258 -2.412 -2.538) 8.970 6.048 ( -8.258 2.412 -2.538) 8.970 6.180 ( 3.848 -5.500 -3.039) 7.369 6.180 ( 3.848 5.500 -3.039) 7.369 6.418 ( -2.259 -3.030 7.798) 8.665 6.418 ( -2.259 3.030 7.798) 8.665 7.291 ( -0.856 -2.399 3.704) 4.495 7.291 ( -0.856 2.399 3.704) 4.495 7.821 ( -0.748 -1.428 -3.585) 3.930 7.821 ( -0.748 1.428 -3.585) 3.930 9.192 ( 6.555 -6.864 -3.102) 9.985 9.192 ( 6.555 6.864 -3.102) 9.985 9.541 ( -9.761 -6.120 0.509) 11.532 9.541 ( -9.761 6.120 0.509) 11.532 10.440 ( 1.203 -5.010 2.820) 5.874 10.440 ( 1.203 5.010 2.820) 5.874 10.776 ( -3.928 -3.117 1.150) 5.145 10.776 ( -3.928 3.117 1.150) 5.145 11.020 ( 5.434 -3.267 1.229) 6.458 11.020 ( 5.434 3.267 1.229) 6.458 11.198 ( -3.766 -6.549 -0.092) 7.555 11.198 ( -3.766 6.549 -0.092) 7.555 12.622 ( 1.599 -2.505 0.192) 2.978 12.622 ( 1.599 2.505 0.192) 2.978 12.969 ( -5.009 -2.847 2.124) 6.140 12.969 ( -5.009 2.847 2.124) 6.140 16.686 ( -2.844 -0.958 -1.522) 3.365 16.686 ( -2.844 0.958 -1.522) 3.365 16.802 ( -0.750 -0.691 2.183) 2.409 16.802 ( -0.750 0.691 2.183) 2.409 22.984 ( -0.636 -1.356 -3.078) 3.423 22.984 ( -0.636 1.356 -3.078) 3.423 23.221 ( -1.092 -5.679 -4.113) 7.096 23.221 ( -1.092 5.679 -4.113) 7.096 24.077 ( -2.278 -16.304 -0.760) 16.480 24.077 ( -2.278 16.304 -0.760) 16.480 24.664 ( 8.564 -16.244 9.927) 20.875 24.664 ( 8.564 16.244 9.927) 20.875 25.835 ( 4.359 -10.594 -3.231) 11.902 25.835 ( 4.359 10.594 -3.231) 11.902 26.821 ( -7.314 -14.629 -2.427) 16.535 26.821 ( -7.314 14.629 -2.427) 16.535 ======================= Grid point 49 (27/172) ======================= q-point: ( 0.42 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.514 -5.077 3.614) 6.253 2.097 ( -0.514 5.077 3.614) 6.253 2.353 ( 7.257 -2.309 4.452) 8.821 2.353 ( 7.257 2.309 4.452) 8.821 2.682 ( 6.416 -4.018 2.978) 8.135 2.682 ( 6.416 4.018 2.978) 8.135 2.800 ( -0.582 -3.159 -1.560) 3.571 2.800 ( -0.582 3.159 -1.560) 3.571 3.108 ( 2.501 -3.085 5.801) 7.031 3.108 ( 2.501 3.085 5.801) 7.031 3.375 ( 1.321 -11.160 -5.219) 12.391 3.375 ( 1.321 11.160 -5.219) 12.391 3.697 ( 1.178 -3.517 -4.776) 6.047 3.697 ( 1.178 3.517 -4.776) 6.047 3.991 ( -0.412 -3.883 2.787) 4.797 3.991 ( -0.412 3.883 2.787) 4.797 4.196 ( 10.065 -6.172 -5.450) 13.004 4.196 ( 10.065 6.172 -5.450) 13.004 4.355 ( -7.783 -6.906 7.196) 12.651 4.355 ( -7.783 6.906 7.196) 12.651 4.784 ( 4.589 -5.344 -2.640) 7.522 4.784 ( 4.589 5.344 -2.640) 7.522 5.063 ( -2.762 -2.247 0.940) 3.682 5.063 ( -2.762 2.247 0.940) 3.682 5.326 ( -4.947 -10.280 -9.159) 14.630 5.326 ( -4.947 10.280 -9.159) 14.630 5.735 ( 2.164 -5.913 -3.933) 7.424 5.735 ( 2.164 5.913 -3.933) 7.424 5.833 ( 1.865 -2.089 0.412) 2.831 5.833 ( 1.865 2.089 0.412) 2.831 6.003 ( -0.139 -4.011 1.740) 4.374 6.003 ( -0.139 4.011 1.740) 4.374 6.226 ( 2.270 -4.607 -0.119) 5.137 6.226 ( 2.270 4.607 -0.119) 5.137 6.496 ( 1.049 -8.541 5.115) 10.010 6.496 ( 1.049 8.541 5.115) 10.010 7.345 ( 0.917 -3.526 4.391) 5.706 7.345 ( 0.917 3.526 4.391) 5.706 7.757 ( -1.678 -2.879 -3.541) 4.863 7.757 ( -1.678 2.879 -3.541) 4.863 9.251 ( 6.519 -6.145 -4.141) 9.869 9.251 ( 6.519 6.145 -4.141) 9.870 9.410 ( -8.989 -3.944 2.597) 10.154 9.410 ( -8.989 3.944 2.597) 10.154 10.479 ( -0.034 -8.833 2.055) 9.069 10.479 ( -0.035 8.833 2.055) 9.069 10.726 ( -2.479 -0.692 -0.239) 2.585 10.726 ( -2.479 0.692 -0.239) 2.585 11.089 ( 3.813 -2.258 -3.227) 5.482 11.089 ( 3.813 2.258 -3.227) 5.482 11.178 ( -1.666 -3.375 4.335) 5.741 11.178 ( -1.666 3.375 4.335) 5.741 12.660 ( 2.074 -1.988 0.798) 2.982 12.660 ( 2.074 1.988 0.798) 2.982 12.912 ( -3.914 -2.647 0.503) 4.752 12.912 ( -3.914 2.647 0.503) 4.752 16.628 ( -1.992 -0.885 -1.177) 2.477 16.628 ( -1.992 0.885 -1.177) 2.477 16.820 ( -0.130 -0.540 1.474) 1.575 16.820 ( -0.130 0.540 1.474) 1.575 22.942 ( -0.467 -1.793 -2.315) 2.965 22.942 ( -0.467 1.793 -2.315) 2.965 23.160 ( -1.386 -4.227 -2.194) 4.959 23.160 ( -1.386 4.227 -2.194) 4.959 24.034 ( -1.652 -16.524 -0.683) 16.620 24.034 ( -1.652 16.524 -0.683) 16.620 24.874 ( 5.273 -16.893 6.309) 18.787 24.874 ( 5.273 16.893 6.309) 18.787 25.840 ( 1.696 -13.436 -3.171) 13.909 25.840 ( 1.696 13.436 -3.171) 13.909 26.728 ( -3.023 -16.405 -0.285) 16.683 26.728 ( -3.023 16.405 -0.285) 16.683 ======================= Grid point 51 (28/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 -4.778 0.000) 4.778 2.112 ( 0.000 4.778 0.000) 4.778 2.436 ( 0.000 -1.993 -0.000) 1.993 2.436 ( 0.000 1.993 -0.000) 1.993 2.750 ( 0.000 -7.087 0.000) 7.087 2.750 ( 0.000 7.087 0.000) 7.087 2.804 ( -0.000 -4.803 0.000) 4.803 2.804 ( -0.000 4.803 0.000) 4.803 3.187 ( 0.000 -1.869 0.000) 1.869 3.187 ( 0.000 1.869 0.000) 1.869 3.308 ( 0.000 -1.633 -0.000) 1.633 3.308 ( 0.000 1.633 -0.000) 1.633 3.673 ( 0.000 -3.757 0.000) 3.757 3.673 ( 0.000 3.757 0.000) 3.757 4.023 ( 0.000 -5.820 0.000) 5.820 4.023 ( 0.000 5.820 0.000) 5.820 4.275 ( 0.000 -4.670 -0.000) 4.670 4.275 ( 0.000 4.670 -0.000) 4.670 4.310 ( -0.000 -6.910 0.000) 6.910 4.310 ( -0.000 6.910 0.000) 6.910 4.800 ( 0.000 -7.770 0.000) 7.770 4.800 ( 0.000 7.770 0.000) 7.770 5.021 ( 0.000 -3.462 0.000) 3.462 5.021 ( 0.000 3.462 0.000) 3.462 5.237 ( 0.000 -2.470 0.000) 2.470 5.237 ( 0.000 2.470 0.000) 2.470 5.722 ( 0.000 -0.396 -0.000) 0.396 5.722 ( 0.000 0.396 -0.000) 0.396 5.856 ( 0.000 -2.911 0.000) 2.911 5.856 ( 0.000 2.911 0.000) 2.911 6.021 ( 0.000 -0.958 0.000) 0.958 6.021 ( 0.000 0.958 0.000) 0.958 6.243 ( 0.000 -4.238 0.000) 4.238 6.243 ( 0.000 4.238 0.000) 4.238 6.539 ( 0.000 -11.088 0.000) 11.088 6.539 ( 0.000 11.088 0.000) 11.088 7.388 ( 0.000 -5.134 0.000) 5.134 7.388 ( 0.000 5.134 0.000) 5.134 7.714 ( 0.000 -5.056 0.000) 5.056 7.714 ( 0.000 5.056 0.000) 5.056 9.289 ( 0.000 -8.466 -0.000) 8.466 9.289 ( 0.000 8.466 -0.000) 8.466 9.342 ( -0.000 -10.545 0.000) 10.545 9.342 ( -0.000 10.545 0.000) 10.545 10.490 ( 0.000 -10.760 0.000) 10.760 10.490 ( 0.000 10.760 0.000) 10.760 10.704 ( 0.000 -1.796 0.000) 1.796 10.704 ( 0.000 1.796 0.000) 1.796 11.091 ( 0.000 -4.038 0.000) 4.038 11.091 ( 0.000 4.038 0.000) 4.038 11.202 ( 0.000 -1.088 0.000) 1.088 11.202 ( 0.000 1.088 -0.000) 1.088 12.686 ( 0.000 -0.454 0.000) 0.454 12.686 ( 0.000 0.454 0.000) 0.454 12.879 ( 0.000 -3.299 0.000) 3.299 12.879 ( 0.000 3.299 0.000) 3.299 16.605 ( 0.000 -0.771 0.000) 0.771 16.605 ( 0.000 0.771 0.000) 0.771 16.828 ( 0.000 -0.488 0.000) 0.488 16.828 ( 0.000 0.488 0.000) 0.488 22.923 ( 0.000 -2.017 0.000) 2.017 22.923 ( 0.000 2.017 0.000) 2.017 23.136 ( 0.000 -2.612 0.000) 2.612 23.136 ( 0.000 2.612 0.000) 2.612 24.017 ( 0.000 -16.439 0.000) 16.439 24.017 ( 0.000 16.439 0.000) 16.439 24.956 ( 0.000 -17.375 0.000) 17.375 24.956 ( 0.000 17.375 0.000) 17.375 25.831 ( 0.000 -14.935 0.000) 14.935 25.831 ( 0.000 14.935 0.000) 14.935 26.705 ( 0.000 -17.201 0.000) 17.201 26.705 ( 0.000 17.201 0.000) 17.201 ======================= Grid point 91 (29/172) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -14.829 0.000 20.580) 25.366 0.597 ( 5.290 0.000 27.001) 27.514 1.046 ( -0.578 0.000 47.623) 47.626 1.727 ( 2.691 0.000 -6.889) 7.396 2.152 ( -0.460 0.000 7.654) 7.667 2.228 ( 5.466 0.000 -5.320) 7.628 2.476 ( 6.949 0.000 3.343) 7.712 2.683 ( -1.494 0.000 0.959) 1.776 2.894 ( -3.768 0.000 1.685) 4.127 2.962 ( -1.390 0.000 2.282) 2.672 3.120 ( 1.572 0.000 -4.561) 4.824 3.356 ( 2.036 0.000 2.877) 3.525 3.553 ( -23.171 0.000 -2.389) 23.294 3.682 ( -4.028 0.000 -0.110) 4.029 3.686 ( 2.055 0.000 -5.683) 6.044 3.890 ( 2.621 0.000 -0.062) 2.622 4.064 ( -3.555 0.000 2.160) 4.160 4.178 ( -4.460 0.000 -5.707) 7.243 4.363 ( 0.466 0.000 -1.055) 1.153 4.367 ( -5.827 0.000 -0.440) 5.843 4.528 ( -4.031 0.000 7.226) 8.274 4.530 ( -1.912 0.000 7.071) 7.324 4.552 ( 5.205 0.000 0.696) 5.252 4.878 ( 17.545 0.000 -2.244) 17.688 5.289 ( -2.616 0.000 -8.809) 9.189 5.368 ( 3.899 0.000 -7.841) 8.757 5.639 ( 0.425 0.000 -0.654) 0.780 5.735 ( -4.393 0.000 3.885) 5.865 5.802 ( 1.929 0.000 9.349) 9.546 5.820 ( 5.437 0.000 -10.840) 12.127 5.975 ( -0.717 0.000 -6.153) 6.194 6.047 ( 20.585 0.000 -0.867) 20.603 6.174 ( 1.673 0.000 -1.428) 2.199 6.385 ( 1.644 0.000 3.783) 4.125 6.410 ( 6.755 0.000 10.588) 12.559 7.334 ( 1.846 0.000 -6.449) 6.708 7.567 ( -0.313 0.000 -5.230) 5.239 7.602 ( -8.787 0.000 -5.269) 10.246 8.087 ( -0.119 0.000 -0.275) 0.300 8.244 ( -13.242 0.000 1.677) 13.348 8.830 ( 2.931 0.000 -4.210) 5.130 8.927 ( -0.063 0.000 -1.251) 1.253 9.589 ( -3.695 0.000 4.546) 5.858 9.944 ( 0.729 0.000 4.498) 4.557 10.294 ( 5.343 0.000 1.698) 5.606 10.436 ( 0.589 0.000 -4.975) 5.010 10.667 ( -2.930 0.000 -3.029) 4.214 10.873 ( -7.682 0.000 -9.851) 12.492 11.081 ( -0.951 0.000 5.603) 5.683 11.238 ( -0.986 0.000 0.778) 1.256 11.264 ( 4.186 0.000 5.934) 7.262 11.373 ( -1.205 0.000 1.997) 2.332 12.527 ( 0.740 0.000 -1.707) 1.860 12.616 ( -1.518 0.000 -0.907) 1.768 12.706 ( -1.524 0.000 5.556) 5.761 13.226 ( 1.055 0.000 -1.753) 2.046 16.630 ( 0.333 0.000 1.945) 1.974 16.833 ( 0.849 0.000 0.863) 1.211 16.881 ( -0.221 0.000 -0.643) 0.679 16.952 ( -0.934 0.000 -0.386) 1.011 22.826 ( 3.031 0.000 1.946) 3.602 23.103 ( -1.115 0.000 -1.407) 1.795 23.183 ( -5.961 0.000 1.189) 6.078 23.340 ( -6.666 0.000 -2.504) 7.121 23.522 ( 3.694 0.000 3.024) 4.774 23.660 ( 2.686 0.000 0.141) 2.690 25.080 ( 0.463 0.000 5.509) 5.529 25.277 ( 2.001 0.000 0.539) 2.072 25.548 ( -0.866 0.000 -1.910) 2.097 26.003 ( -0.940 0.000 -3.929) 4.040 26.032 ( -1.328 0.000 5.597) 5.752 27.351 ( 9.960 0.000 -8.512) 13.102 ======================= Grid point 92 (30/172) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 21.028 0.000 13.371) 24.919 1.035 ( 12.488 0.000 19.708) 23.331 1.625 ( 7.319 0.000 35.817) 36.558 1.843 ( 17.702 0.000 -0.525) 17.710 2.247 ( 5.254 0.000 1.115) 5.371 2.271 ( 1.838 0.000 4.331) 4.705 2.653 ( 7.361 0.000 -0.758) 7.400 2.670 ( -0.657 0.000 0.212) 0.691 2.867 ( 2.192 0.000 0.145) 2.197 3.022 ( 4.053 0.000 2.461) 4.742 3.106 ( 4.805 0.000 -4.252) 6.417 3.405 ( -1.374 0.000 2.408) 2.772 3.451 ( 3.453 0.000 4.575) 5.731 3.651 ( -2.400 0.000 -0.497) 2.451 3.693 ( 5.371 0.000 -2.464) 5.910 3.869 ( -1.072 0.000 -7.963) 8.035 4.053 ( -0.095 0.000 0.817) 0.823 4.108 ( 3.325 0.000 -0.997) 3.472 4.277 ( -7.828 0.000 4.595) 9.077 4.360 ( -0.763 0.000 0.748) 1.069 4.496 ( -6.061 0.000 4.585) 7.600 4.552 ( -3.890 0.000 4.564) 5.997 4.646 ( 3.555 0.000 -1.682) 3.933 4.972 ( 4.115 0.000 -4.673) 6.227 5.198 ( 5.217 0.000 -9.466) 10.808 5.364 ( 7.369 0.000 -6.802) 10.028 5.554 ( -6.097 0.000 -1.476) 6.273 5.626 ( -5.232 0.000 -8.530) 10.007 5.784 ( 2.930 0.000 -5.696) 6.406 5.883 ( -6.366 0.000 8.078) 10.285 6.032 ( 8.512 0.000 5.610) 10.194 6.208 ( 2.063 0.000 2.080) 2.929 6.266 ( 12.277 0.000 -6.606) 13.941 6.429 ( -0.491 0.000 2.068) 2.125 6.554 ( 3.140 0.000 -1.192) 3.359 7.268 ( -0.969 0.000 -9.544) 9.593 7.393 ( -4.919 0.000 -4.787) 6.864 7.464 ( -3.369 0.000 -5.569) 6.509 8.091 ( 0.769 0.000 -0.472) 0.902 8.122 ( -11.918 0.000 9.461) 15.217 8.874 ( 8.682 0.000 -5.073) 10.056 8.890 ( -2.074 0.000 -1.805) 2.749 9.578 ( -5.808 0.000 8.012) 9.896 10.034 ( 2.432 0.000 4.345) 4.980 10.372 ( -0.054 0.000 -4.681) 4.681 10.399 ( 5.071 0.000 3.175) 5.983 10.628 ( -8.848 0.000 -8.519) 12.282 10.629 ( 0.831 0.000 -1.420) 1.645 11.115 ( -4.437 0.000 7.157) 8.421 11.229 ( -1.059 0.000 0.588) 1.211 11.292 ( -6.923 0.000 2.642) 7.410 11.412 ( 3.694 0.000 0.633) 3.748 12.573 ( 5.095 0.000 -0.798) 5.157 12.574 ( -1.473 0.000 -1.999) 2.483 12.756 ( -1.328 0.000 6.303) 6.442 13.203 ( -0.993 0.000 -2.135) 2.355 16.666 ( 0.487 0.000 2.830) 2.872 16.850 ( -2.285 0.000 -1.156) 2.560 16.855 ( -0.144 0.000 1.742) 1.748 16.919 ( -2.046 0.000 -1.237) 2.391 22.958 ( 8.672 0.000 3.622) 9.398 23.058 ( -1.442 0.000 -2.733) 3.091 23.139 ( -2.421 0.000 -0.186) 2.428 23.207 ( -6.597 0.000 -0.517) 6.617 23.616 ( 4.908 0.000 -0.713) 4.960 23.710 ( 2.243 0.000 1.548) 2.726 25.113 ( -6.005 0.000 6.513) 8.860 25.296 ( -1.444 0.000 1.838) 2.338 25.524 ( 1.039 0.000 -1.173) 1.567 25.903 ( -2.407 0.000 -3.729) 4.438 26.119 ( 2.467 0.000 7.413) 7.812 27.372 ( 8.804 0.000 -16.574) 18.767 ======================= Grid point 93 (31/172) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 23.991 0.000 11.422) 26.571 1.436 ( 14.003 0.000 13.487) 19.441 2.009 ( 9.008 0.000 4.649) 10.137 2.192 ( 21.469 0.000 3.404) 21.738 2.365 ( 2.855 0.000 5.979) 6.625 2.424 ( 5.529 0.000 13.596) 14.677 2.619 ( -1.346 0.000 -6.673) 6.808 2.700 ( 4.893 0.000 2.905) 5.691 2.872 ( -1.236 0.000 -5.753) 5.884 3.081 ( 1.686 0.000 -1.199) 2.069 3.280 ( 17.730 0.000 1.436) 17.788 3.449 ( 0.862 0.000 0.706) 1.114 3.523 ( 2.316 0.000 -2.951) 3.752 3.624 ( -0.891 0.000 2.558) 2.709 3.716 ( -2.142 0.000 -1.020) 2.372 3.851 ( 10.737 0.000 0.065) 10.737 4.065 ( 1.390 0.000 -1.430) 1.994 4.104 ( -1.764 0.000 -2.526) 3.081 4.346 ( 5.248 0.000 9.220) 10.609 4.353 ( -2.714 0.000 2.718) 3.840 4.474 ( -3.982 0.000 5.504) 6.793 4.540 ( -2.846 0.000 3.634) 4.616 4.617 ( -0.056 0.000 -5.531) 5.531 4.957 ( 0.975 0.000 -4.946) 5.041 5.193 ( 6.328 0.000 -6.832) 9.312 5.323 ( -4.313 0.000 -11.480) 12.263 5.497 ( 1.843 0.000 -0.051) 1.844 5.521 ( 8.751 0.000 -6.439) 10.864 5.782 ( 3.463 0.000 -2.417) 4.223 5.853 ( -7.490 0.000 5.967) 9.576 6.230 ( 0.155 0.000 1.005) 1.017 6.286 ( 9.424 0.000 7.258) 11.895 6.298 ( -0.627 0.000 -2.912) 2.978 6.430 ( -3.339 0.000 4.080) 5.272 6.518 ( 1.504 0.000 -7.983) 8.124 7.086 ( -4.536 0.000 -9.884) 10.875 7.337 ( -0.274 0.000 -2.771) 2.784 7.368 ( -2.333 0.000 -1.798) 2.946 8.063 ( -9.328 0.000 7.914) 12.233 8.087 ( -0.811 0.000 -0.777) 1.123 8.827 ( -2.870 0.000 -1.905) 3.445 8.947 ( 9.252 0.000 -7.074) 11.646 9.606 ( -4.288 0.000 9.776) 10.675 10.035 ( -4.088 0.000 -3.891) 5.644 10.398 ( 1.616 0.000 0.169) 1.625 10.423 ( -2.304 0.000 -2.405) 3.330 10.533 ( 4.768 0.000 5.893) 7.581 10.638 ( 4.109 0.000 -3.532) 5.418 11.103 ( -7.629 0.000 6.837) 10.245 11.168 ( -10.218 0.000 0.149) 10.219 11.227 ( -0.359 0.000 0.673) 0.763 11.454 ( 1.949 0.000 -1.437) 2.422 12.534 ( -0.386 0.000 -1.723) 1.766 12.645 ( 4.204 0.000 0.516) 4.236 12.809 ( -1.165 0.000 5.724) 5.841 13.146 ( -2.656 0.000 -2.657) 3.757 16.709 ( 0.486 0.000 2.949) 2.989 16.788 ( -3.548 0.000 -1.282) 3.773 16.861 ( -2.911 0.000 -1.885) 3.468 16.869 ( -1.047 0.000 2.221) 2.455 22.995 ( -1.334 0.000 -4.149) 4.359 23.046 ( -2.898 0.000 -1.128) 3.110 23.098 ( -2.794 0.000 0.511) 2.841 23.240 ( 8.826 0.000 6.551) 10.992 23.631 ( 1.591 0.000 -5.801) 6.015 23.764 ( 2.084 0.000 1.833) 2.776 25.055 ( -8.511 0.000 4.506) 9.630 25.282 ( -2.471 0.000 1.194) 2.744 25.558 ( 1.376 0.000 2.482) 2.838 25.841 ( -0.005 0.000 -4.308) 4.308 26.281 ( 5.731 0.000 8.790) 10.493 27.262 ( 3.542 0.000 -16.024) 16.411 ======================= Grid point 94 (32/172) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 14.249 0.000 11.873) 18.547 1.786 ( 12.885 0.000 9.727) 16.144 2.117 ( 11.095 0.000 -8.295) 13.853 2.419 ( 3.395 0.000 -6.198) 7.067 2.476 ( -0.821 0.000 6.137) 6.191 2.579 ( 9.182 0.000 -8.229) 12.329 2.593 ( 5.655 0.000 5.977) 8.228 2.760 ( -3.691 0.000 0.036) 3.691 2.960 ( 11.289 0.000 8.143) 13.919 3.071 ( 2.678 0.000 -0.715) 2.772 3.423 ( -1.577 0.000 -1.545) 2.208 3.439 ( 2.597 0.000 -9.272) 9.629 3.562 ( 11.034 0.000 0.488) 11.045 3.647 ( -3.103 0.000 3.169) 4.435 3.724 ( 0.154 0.000 3.660) 3.663 4.029 ( 4.163 0.000 -1.620) 4.467 4.054 ( -0.501 0.000 -1.486) 1.568 4.124 ( 8.399 0.000 5.406) 9.988 4.341 ( -2.792 0.000 2.719) 3.897 4.457 ( 5.134 0.000 -6.236) 8.077 4.525 ( -1.090 0.000 6.441) 6.532 4.568 ( 1.340 0.000 2.601) 2.926 4.667 ( 10.639 0.000 7.014) 12.743 4.873 ( -2.813 0.000 -5.427) 6.113 5.107 ( -3.761 0.000 -9.239) 9.975 5.268 ( 9.288 0.000 -0.357) 9.295 5.597 ( 7.658 0.000 -5.940) 9.692 5.605 ( 10.438 0.000 0.347) 10.444 5.800 ( -6.259 0.000 3.314) 7.082 5.839 ( 4.732 0.000 0.953) 4.827 6.153 ( -2.126 0.000 -7.660) 7.949 6.198 ( -7.943 0.000 -0.705) 7.974 6.401 ( -4.494 0.000 2.182) 4.995 6.452 ( 2.745 0.000 -8.659) 9.083 6.572 ( 7.407 0.000 14.350) 16.149 6.897 ( -5.022 0.000 -10.553) 11.687 7.288 ( -2.554 0.000 -1.259) 2.847 7.360 ( -0.326 0.000 3.397) 3.413 8.018 ( -6.971 0.000 5.784) 9.058 8.033 ( -4.803 0.000 -1.671) 5.086 8.768 ( -1.996 0.000 -1.162) 2.309 8.981 ( 6.481 0.000 -7.693) 10.059 9.670 ( -2.566 0.000 9.457) 9.799 9.869 ( -7.332 0.000 -6.705) 9.936 10.267 ( -5.678 0.000 -2.344) 6.143 10.597 ( 9.325 0.000 4.579) 10.389 10.614 ( 0.748 0.000 -0.357) 0.829 10.725 ( 8.662 0.000 1.203) 8.745 11.010 ( -8.414 0.000 -0.613) 8.436 11.060 ( -8.019 0.000 7.163) 10.752 11.219 ( -1.156 0.000 -0.378) 1.217 11.438 ( -0.722 0.000 -2.629) 2.726 12.531 ( 1.586 0.000 -0.217) 1.601 12.713 ( 2.815 0.000 1.499) 3.189 12.850 ( -1.160 0.000 3.883) 4.053 13.062 ( -3.562 0.000 -3.095) 4.719 16.718 ( -3.524 0.000 -1.045) 3.675 16.747 ( 0.342 0.000 2.228) 2.254 16.788 ( -3.255 0.000 -2.120) 3.884 16.874 ( -1.694 0.000 2.179) 2.760 22.923 ( -1.151 0.000 -4.466) 4.612 22.971 ( -4.673 0.000 0.203) 4.677 23.071 ( -3.200 0.000 2.888) 4.310 23.445 ( 3.898 0.000 -0.639) 3.950 23.558 ( 3.449 0.000 -3.163) 4.680 23.817 ( 2.395 0.000 1.072) 2.624 25.001 ( -4.452 0.000 4.447) 6.293 25.247 ( -2.545 0.000 -0.751) 2.653 25.593 ( -1.635 0.000 2.779) 3.224 25.793 ( 0.312 0.000 -3.970) 3.982 26.495 ( 7.160 0.000 9.559) 11.943 27.136 ( 2.983 0.000 -12.855) 13.196 ======================= Grid point 95 (33/172) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 5.233 0.000 11.927) 13.025 2.052 ( 9.034 0.000 5.924) 10.803 2.191 ( 11.962 0.000 -9.394) 15.210 2.336 ( 0.574 0.000 -7.935) 7.956 2.466 ( -4.744 0.000 3.065) 5.648 2.476 ( -1.601 0.000 -11.596) 11.706 2.823 ( 9.179 0.000 8.831) 12.737 2.841 ( 3.570 0.000 4.087) 5.426 2.967 ( -1.307 0.000 -4.584) 4.766 3.245 ( 7.154 0.000 -3.182) 7.829 3.378 ( 4.653 0.000 -9.336) 10.431 3.427 ( 1.038 0.000 4.750) 4.862 3.607 ( -4.814 0.000 3.446) 5.920 3.681 ( 7.134 0.000 -3.071) 7.767 3.777 ( -2.552 0.000 7.629) 8.044 4.007 ( -3.306 0.000 -1.004) 3.455 4.021 ( -1.855 0.000 -0.394) 1.897 4.259 ( 9.249 0.000 -9.975) 13.603 4.345 ( -0.421 0.000 2.268) 2.306 4.499 ( 1.699 0.000 3.006) 3.453 4.621 ( 4.128 0.000 -1.585) 4.421 4.672 ( 8.891 0.000 10.361) 13.653 4.785 ( -2.276 0.000 -0.786) 2.408 4.963 ( 12.681 0.000 6.970) 14.471 5.049 ( 5.733 0.000 -1.688) 5.977 5.446 ( 10.650 0.000 1.791) 10.800 5.589 ( 0.443 0.000 -5.672) 5.689 5.740 ( -3.448 0.000 -0.862) 3.554 5.785 ( 11.077 0.000 -0.207) 11.079 5.940 ( 4.729 0.000 3.203) 5.711 6.022 ( -1.490 0.000 -8.729) 8.855 6.083 ( -6.151 0.000 1.631) 6.363 6.330 ( -5.171 0.000 -0.571) 5.203 6.388 ( 0.872 0.000 -7.052) 7.106 6.667 ( -8.316 0.000 -10.266) 13.211 6.847 ( 5.393 0.000 13.911) 14.920 7.242 ( -1.802 0.000 -0.438) 1.854 7.418 ( 0.163 0.000 5.994) 5.997 7.885 ( -9.935 0.000 -3.980) 10.703 7.984 ( -5.117 0.000 4.253) 6.654 8.745 ( -0.521 0.000 0.534) 0.746 8.974 ( 3.911 0.000 -6.561) 7.638 9.687 ( -6.009 0.000 -5.069) 7.862 9.739 ( -1.820 0.000 7.454) 7.673 10.170 ( -4.393 0.000 -1.115) 4.533 10.599 ( 0.817 0.000 -3.730) 3.818 10.731 ( 2.327 0.000 -0.264) 2.342 10.849 ( 4.476 0.000 0.603) 4.517 10.956 ( 2.011 0.000 2.427) 3.152 11.049 ( -4.268 0.000 7.801) 8.892 11.182 ( -1.939 0.000 -1.225) 2.293 11.378 ( -2.981 0.000 -2.162) 3.682 12.574 ( 3.000 0.000 1.071) 3.185 12.765 ( 1.376 0.000 1.758) 2.233 12.862 ( -1.215 0.000 1.379) 1.838 12.968 ( -3.411 0.000 -3.156) 4.647 16.660 ( -2.507 0.000 -0.514) 2.559 16.716 ( -2.663 0.000 -1.852) 3.244 16.769 ( 0.110 0.000 0.903) 0.910 16.868 ( -1.966 0.000 1.628) 2.553 22.863 ( -0.472 0.000 -3.131) 3.166 22.918 ( -3.500 0.000 1.759) 3.917 23.068 ( -3.669 0.000 5.549) 6.652 23.309 ( -5.478 0.000 -7.319) 9.142 23.709 ( 8.020 0.000 2.194) 8.315 23.860 ( 2.455 0.000 -0.285) 2.471 25.026 ( -0.179 0.000 4.993) 4.996 25.186 ( -2.133 0.000 -3.018) 3.696 25.566 ( -4.052 0.000 0.433) 4.075 25.762 ( 0.794 0.000 -2.529) 2.651 26.703 ( 4.998 0.000 8.388) 9.764 27.061 ( 4.159 0.000 -9.010) 9.924 ======================= Grid point 96 (34/172) ======================= q-point: ( 0.42 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -5.562 0.000 2.006) 5.913 2.207 ( 4.045 0.000 2.677) 4.850 2.287 ( 4.011 0.000 -5.224) 6.586 2.319 ( 12.893 0.000 0.956) 12.928 2.352 ( 0.116 0.000 -5.669) 5.670 2.466 ( 1.126 0.000 2.638) 2.869 2.885 ( -3.892 0.000 -2.855) 4.827 2.895 ( 0.725 0.000 -0.542) 0.905 2.974 ( 2.176 0.000 -0.687) 2.282 3.263 ( 1.481 0.000 -0.695) 1.636 3.365 ( 7.424 0.000 -8.574) 11.342 3.467 ( -2.849 0.000 6.134) 6.763 3.622 ( -0.766 0.000 2.791) 2.894 3.729 ( 2.680 0.000 -2.170) 3.449 3.828 ( -2.290 0.000 7.483) 7.825 3.943 ( -3.714 0.000 1.609) 4.048 4.002 ( -0.876 0.000 1.173) 1.464 4.244 ( 8.481 0.000 -13.619) 16.044 4.375 ( 1.961 0.000 0.677) 2.074 4.566 ( -2.904 0.000 8.855) 9.319 4.621 ( 2.396 0.000 -6.943) 7.344 4.839 ( 1.645 0.000 9.853) 9.990 4.880 ( 5.468 0.000 0.267) 5.475 5.097 ( 0.640 0.000 3.819) 3.872 5.279 ( 13.362 0.000 3.634) 13.848 5.542 ( 0.036 0.000 1.938) 1.939 5.575 ( 6.068 0.000 -3.276) 6.896 5.671 ( -1.296 0.000 -4.337) 4.527 5.881 ( 3.246 0.000 -4.263) 5.358 5.910 ( 0.742 0.000 -8.316) 8.349 6.051 ( 1.428 0.000 3.024) 3.344 6.093 ( 4.371 0.000 5.469) 7.001 6.252 ( -3.083 0.000 -0.956) 3.228 6.299 ( -2.019 0.000 -7.307) 7.581 6.451 ( -5.250 0.000 -3.363) 6.234 7.032 ( 0.251 0.000 7.860) 7.864 7.222 ( -0.363 0.000 -0.446) 0.575 7.511 ( 1.135 0.000 7.792) 7.874 7.648 ( -10.686 0.000 -6.323) 12.416 7.960 ( -3.819 0.000 3.372) 5.094 8.751 ( -0.728 0.000 1.321) 1.508 8.960 ( 3.476 0.000 -4.803) 5.928 9.588 ( -1.487 0.000 -0.926) 1.752 9.783 ( -2.514 0.000 5.351) 5.912 10.106 ( -2.351 0.000 -0.306) 2.371 10.554 ( 0.294 0.000 -5.043) 5.052 10.713 ( -0.402 0.000 -2.434) 2.467 10.879 ( 0.578 0.000 -0.968) 1.128 11.058 ( -1.198 0.000 -2.048) 2.372 11.065 ( 5.578 0.000 1.893) 5.891 11.175 ( -1.623 0.000 6.172) 6.382 11.304 ( -3.795 0.000 -0.683) 3.856 12.630 ( 2.006 0.000 0.710) 2.128 12.792 ( -0.495 0.000 1.320) 1.410 12.848 ( -0.600 0.000 -1.057) 1.216 12.892 ( -1.470 0.000 -2.483) 2.885 16.629 ( -1.265 0.000 -0.032) 1.265 16.670 ( -0.818 0.000 -0.948) 1.252 16.772 ( 0.037 0.000 -0.489) 0.491 16.851 ( -1.951 0.000 0.591) 2.039 22.841 ( 0.800 0.000 -0.767) 1.109 22.902 ( -2.583 0.000 2.922) 3.900 23.087 ( -4.382 0.000 7.962) 9.088 23.199 ( -1.025 0.000 -0.308) 1.070 23.807 ( 3.694 0.000 -1.086) 3.850 23.882 ( 1.759 0.000 -1.715) 2.457 25.075 ( -1.260 0.000 2.936) 3.195 25.122 ( -0.006 0.000 -4.392) 4.392 25.501 ( -2.552 0.000 -0.989) 2.737 25.758 ( 1.203 0.000 -1.040) 1.590 26.824 ( -0.197 0.000 4.950) 4.954 27.049 ( 5.277 0.000 -5.396) 7.547 ======================= Grid point 97 (35/172) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -8.350 0.000 -2.874) 8.831 2.194 ( -4.456 0.000 -2.963) 5.351 2.359 ( 10.555 0.000 -2.202) 10.782 2.385 ( 3.552 0.000 4.202) 5.502 2.509 ( -3.472 0.000 11.298) 11.820 2.556 ( 12.661 0.000 -4.736) 13.518 2.765 ( -6.593 0.000 -2.073) 6.911 2.872 ( -0.046 0.000 -2.491) 2.492 2.978 ( 2.825 0.000 -0.194) 2.832 3.221 ( -3.292 0.000 -3.077) 4.506 3.402 ( 9.106 0.000 -7.142) 11.573 3.491 ( -4.017 0.000 -1.424) 4.262 3.631 ( -2.669 0.000 7.827) 8.269 3.704 ( -3.420 0.000 -0.120) 3.423 3.887 ( 2.440 0.000 1.976) 3.139 3.939 ( -4.883 0.000 6.816) 8.384 4.031 ( 0.974 0.000 4.016) 4.133 4.209 ( 5.352 0.000 -10.685) 11.950 4.410 ( -0.985 0.000 2.000) 2.229 4.585 ( 3.565 0.000 -4.393) 5.657 4.588 ( -4.324 0.000 2.575) 5.032 4.854 ( -2.601 0.000 -4.383) 5.097 4.978 ( -2.221 0.000 10.903) 11.127 5.071 ( -4.990 0.000 -0.374) 5.004 5.421 ( -1.739 0.000 3.298) 3.729 5.570 ( 0.299 0.000 -5.976) 5.984 5.598 ( -1.498 0.000 -4.345) 4.596 5.662 ( 3.269 0.000 9.832) 10.361 5.808 ( 0.354 0.000 -7.697) 7.705 5.903 ( 10.473 0.000 -5.816) 11.980 6.053 ( -2.534 0.000 -0.345) 2.557 6.133 ( -5.200 0.000 -1.014) 5.298 6.217 ( -0.290 0.000 -0.691) 0.750 6.321 ( 10.200 0.000 2.748) 10.563 6.458 ( 5.010 0.000 2.178) 5.463 7.006 ( -9.333 0.000 -0.223) 9.336 7.212 ( 0.080 0.000 -1.019) 1.022 7.400 ( -6.932 0.000 -5.824) 9.054 7.701 ( 6.694 0.000 8.172) 10.564 7.945 ( -3.108 0.000 3.100) 4.390 8.746 ( -1.362 0.000 0.659) 1.513 8.978 ( 5.117 0.000 -3.178) 6.024 9.624 ( 3.408 0.000 3.918) 5.192 9.781 ( -5.018 0.000 3.857) 6.329 10.099 ( 0.964 0.000 1.029) 1.410 10.497 ( 1.322 0.000 -6.220) 6.359 10.682 ( 0.914 0.000 -3.199) 3.327 10.846 ( -0.324 0.000 -5.641) 5.650 11.011 ( -0.811 0.000 -1.070) 1.343 11.080 ( -4.330 0.000 -2.806) 5.160 11.227 ( -2.131 0.000 5.883) 6.257 11.309 ( 3.488 0.000 3.495) 4.937 12.633 ( -1.449 0.000 -0.833) 1.672 12.776 ( -2.290 0.000 -0.231) 2.301 12.826 ( 0.301 0.000 -2.366) 2.385 12.882 ( 2.834 0.000 -0.914) 2.978 16.618 ( 0.079 0.000 0.027) 0.084 16.674 ( 1.546 0.000 0.574) 1.649 16.762 ( 0.166 0.000 -1.498) 1.507 16.822 ( -1.698 0.000 -0.804) 1.878 22.872 ( 2.287 0.000 2.053) 3.073 22.898 ( -2.164 0.000 2.874) 3.598 23.117 ( -5.141 0.000 9.430) 10.741 23.291 ( 5.625 0.000 8.711) 10.370 23.800 ( -0.821 0.000 -3.530) 3.625 23.871 ( 0.292 0.000 -2.792) 2.807 25.018 ( -5.707 0.000 -3.190) 6.539 25.094 ( 3.458 0.000 -4.506) 5.680 25.493 ( 1.579 0.000 0.616) 1.694 25.768 ( 1.172 0.000 -0.629) 1.330 26.809 ( -6.079 0.000 0.910) 6.147 27.094 ( 6.236 0.000 -2.021) 6.556 ======================= Grid point 98 (36/172) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -9.328 0.000 -2.524) 9.664 2.029 ( -10.709 0.000 -4.870) 11.764 2.471 ( 2.688 0.000 2.775) 3.863 2.500 ( -3.695 0.000 -12.820) 13.342 2.517 ( -5.520 0.000 1.596) 5.746 2.542 ( 10.329 0.000 -0.623) 10.348 2.759 ( -8.457 0.000 15.335) 17.512 2.886 ( 2.285 0.000 4.671) 5.200 3.085 ( 5.034 0.000 2.905) 5.812 3.150 ( 6.360 0.000 -8.576) 10.677 3.305 ( -10.560 0.000 -5.946) 12.119 3.461 ( 9.230 0.000 -8.094) 12.276 3.654 ( -2.498 0.000 1.098) 2.729 3.686 ( -4.100 0.000 7.395) 8.455 3.834 ( -11.103 0.000 0.607) 11.120 4.003 ( 3.732 0.000 2.763) 4.644 4.119 ( 2.110 0.000 5.674) 6.054 4.152 ( 3.202 0.000 -8.587) 9.165 4.378 ( -5.549 0.000 2.866) 6.245 4.462 ( -10.711 0.000 -2.759) 11.061 4.631 ( 3.359 0.000 0.014) 3.359 4.784 ( -1.758 0.000 -2.849) 3.348 4.953 ( -8.421 0.000 -1.739) 8.599 4.999 ( -7.533 0.000 7.057) 10.322 5.381 ( -9.766 0.000 9.638) 13.721 5.452 ( -4.682 0.000 -4.055) 6.194 5.537 ( 1.958 0.000 -5.208) 5.564 5.806 ( 0.973 0.000 7.263) 7.328 5.806 ( 5.598 0.000 -4.287) 7.051 5.994 ( -4.149 0.000 0.775) 4.221 6.032 ( 10.219 0.000 -2.827) 10.603 6.037 ( -4.980 0.000 -0.388) 4.996 6.221 ( 2.344 0.000 -1.585) 2.830 6.507 ( 6.180 0.000 5.436) 8.230 6.614 ( 15.337 0.000 -3.674) 15.770 6.791 ( -13.113 0.000 -3.784) 13.648 7.201 ( 0.574 0.000 -1.448) 1.557 7.282 ( -0.858 0.000 -4.350) 4.434 7.898 ( 6.666 0.000 6.380) 9.227 7.935 ( -3.151 0.000 3.379) 4.620 8.737 ( -0.136 0.000 0.380) 0.404 9.043 ( 7.170 0.000 -2.141) 7.483 9.711 ( -8.990 0.000 2.347) 9.292 9.769 ( 6.420 0.000 6.639) 9.235 10.159 ( 3.879 0.000 2.728) 4.742 10.455 ( 3.281 0.000 -6.964) 7.698 10.656 ( 0.632 0.000 -4.883) 4.924 10.745 ( -0.803 0.000 -8.533) 8.571 10.947 ( -5.655 0.000 -2.479) 6.175 11.013 ( -0.575 0.000 2.390) 2.458 11.241 ( -2.785 0.000 3.033) 4.118 11.426 ( 4.159 0.000 4.049) 5.805 12.591 ( -2.168 0.000 -0.421) 2.208 12.729 ( -2.134 0.000 -1.457) 2.584 12.793 ( -0.360 0.000 -3.315) 3.334 12.942 ( 5.232 0.000 -0.313) 5.241 16.636 ( 1.914 0.000 0.371) 1.950 16.724 ( 3.020 0.000 1.555) 3.397 16.740 ( -0.553 0.000 -1.864) 1.945 16.785 ( -0.274 0.000 -2.244) 2.261 22.915 ( -0.233 0.000 3.391) 3.399 22.958 ( 3.324 0.000 4.865) 5.892 23.148 ( -5.420 0.000 9.464) 10.906 23.505 ( 4.175 0.000 6.618) 7.825 23.736 ( -2.125 0.000 2.376) 3.188 23.826 ( -1.305 0.000 -3.376) 3.620 24.858 ( -4.785 0.000 -8.440) 9.702 25.121 ( 5.934 0.000 -3.565) 6.923 25.535 ( 1.681 0.000 1.130) 2.025 25.773 ( 1.288 0.000 -1.881) 2.280 26.671 ( -10.409 0.000 -1.682) 10.544 27.196 ( 7.496 0.000 1.190) 7.590 ======================= Grid point 99 (37/172) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -13.213 0.000 -3.610) 13.698 1.747 ( -16.838 0.000 -6.406) 18.016 2.212 ( -12.548 0.000 -14.265) 18.999 2.410 ( -6.449 0.000 -2.876) 7.062 2.483 ( -3.122 0.000 -2.692) 4.123 2.614 ( 3.058 0.000 -1.359) 3.346 2.743 ( -11.694 0.000 5.478) 12.913 2.987 ( -11.206 0.000 0.471) 11.216 3.068 ( 4.649 0.000 12.468) 13.307 3.164 ( -2.694 0.000 3.711) 4.586 3.324 ( 12.242 0.000 -0.288) 12.245 3.458 ( 3.052 0.000 -12.849) 13.207 3.613 ( -7.004 0.000 -2.465) 7.425 3.667 ( -5.393 0.000 2.225) 5.834 3.704 ( 0.989 0.000 4.875) 4.974 3.987 ( -2.011 0.000 -6.658) 6.955 4.203 ( 6.953 0.000 1.504) 7.113 4.214 ( 2.268 0.000 4.115) 4.698 4.229 ( -14.018 0.000 -2.179) 14.187 4.326 ( -6.682 0.000 4.784) 8.218 4.630 ( -4.810 0.000 1.895) 5.169 4.683 ( -6.240 0.000 -3.556) 7.182 4.791 ( -9.975 0.000 0.372) 9.982 4.995 ( -0.853 0.000 4.968) 5.041 5.380 ( -1.752 0.000 3.427) 3.849 5.385 ( -2.060 0.000 1.805) 2.739 5.563 ( 2.773 0.000 3.498) 4.464 5.744 ( -7.479 0.000 -3.124) 8.105 5.850 ( -4.056 0.000 4.722) 6.225 5.962 ( -2.594 0.000 2.133) 3.358 6.031 ( 5.195 0.000 -2.072) 5.593 6.129 ( 5.928 0.000 -1.687) 6.163 6.237 ( 3.619 0.000 -4.572) 5.831 6.545 ( -11.859 0.000 -4.377) 12.641 6.638 ( 4.380 0.000 2.748) 5.171 6.823 ( 18.811 0.000 -6.468) 19.892 7.208 ( 2.406 0.000 -0.505) 2.459 7.266 ( 3.357 0.000 -1.434) 3.650 7.927 ( -3.857 0.000 4.475) 5.908 8.044 ( 4.038 0.000 4.014) 5.694 8.757 ( 2.069 0.000 0.498) 2.128 9.140 ( 8.096 0.000 -2.093) 8.362 9.559 ( -12.527 0.000 0.627) 12.543 9.950 ( 6.272 0.000 5.711) 8.482 10.287 ( 6.458 0.000 5.224) 8.306 10.422 ( 2.799 0.000 -7.306) 7.824 10.546 ( -4.847 0.000 -6.185) 7.858 10.645 ( 0.088 0.000 -6.542) 6.543 10.917 ( 3.056 0.000 0.489) 3.095 11.038 ( -1.130 0.000 3.920) 4.080 11.218 ( -2.065 0.000 -0.153) 2.071 11.509 ( 1.240 0.000 2.297) 2.610 12.572 ( -0.825 0.000 1.384) 1.611 12.681 ( -1.507 0.000 -1.751) 2.311 12.740 ( -0.938 0.000 -3.550) 3.672 13.025 ( 5.811 0.000 -0.470) 5.830 16.685 ( 3.458 0.000 0.746) 3.538 16.698 ( -1.665 0.000 -2.013) 2.612 16.768 ( 1.755 0.000 -2.751) 3.263 16.797 ( 3.495 0.000 1.888) 3.972 22.971 ( 1.971 0.000 3.519) 4.033 23.078 ( 2.256 0.000 6.834) 7.196 23.179 ( -3.843 0.000 8.610) 9.429 23.430 ( -7.942 0.000 -6.326) 10.153 23.755 ( -2.205 0.000 -3.741) 4.343 23.887 ( -0.200 0.000 15.459) 15.461 24.709 ( 2.397 0.000 -11.358) 11.608 25.183 ( 5.618 0.000 -1.419) 5.795 25.562 ( 0.159 0.000 1.126) 1.137 25.759 ( 2.135 0.000 -5.006) 5.442 26.469 ( -12.063 0.000 -2.079) 12.241 27.354 ( 9.085 0.000 3.580) 9.765 ======================= Grid point 100 (38/172) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -19.454 0.000 -10.069) 21.906 1.358 ( -22.191 0.000 -7.962) 23.577 1.778 ( -24.009 0.000 -9.147) 25.693 2.278 ( -6.248 0.000 -2.238) 6.637 2.315 ( -12.145 0.000 -2.941) 12.496 2.540 ( -9.956 0.000 -6.008) 11.629 2.653 ( 2.890 0.000 -0.869) 3.018 2.895 ( -10.542 0.000 8.680) 13.656 3.166 ( -14.420 0.000 -1.633) 14.512 3.171 ( -4.852 0.000 4.999) 6.966 3.258 ( 1.737 0.000 -2.183) 2.790 3.466 ( 4.545 0.000 1.001) 4.654 3.577 ( -1.946 0.000 -1.996) 2.788 3.619 ( -1.837 0.000 2.698) 3.264 3.803 ( 1.563 0.000 -3.765) 4.077 3.862 ( 4.704 0.000 -4.186) 6.297 4.045 ( -7.448 0.000 1.603) 7.618 4.223 ( -2.796 0.000 -1.812) 3.332 4.329 ( 0.475 0.000 8.459) 8.473 4.346 ( -2.624 0.000 10.452) 10.777 4.544 ( -6.788 0.000 -0.564) 6.811 4.569 ( -6.092 0.000 2.907) 6.750 4.684 ( -4.363 0.000 0.274) 4.371 5.061 ( 1.764 0.000 3.357) 3.793 5.391 ( 4.053 0.000 -4.303) 5.911 5.427 ( 1.285 0.000 5.768) 5.909 5.574 ( -8.017 0.000 -3.190) 8.628 5.638 ( -1.814 0.000 3.932) 4.330 5.838 ( -4.091 0.000 6.050) 7.303 5.971 ( -0.958 0.000 4.013) 4.125 6.060 ( 6.616 0.000 -10.075) 12.053 6.181 ( 2.530 0.000 -2.289) 3.411 6.199 ( -0.754 0.000 -3.787) 3.862 6.348 ( -5.276 0.000 -4.953) 7.237 6.687 ( 5.580 0.000 -9.394) 10.926 7.036 ( 13.579 0.000 -0.173) 13.580 7.280 ( 6.306 0.000 1.952) 6.601 7.347 ( 6.842 0.000 1.020) 6.917 7.929 ( -4.634 0.000 7.567) 8.873 8.119 ( 0.918 0.000 2.249) 2.429 8.809 ( 3.670 0.000 0.491) 3.702 9.229 ( 7.715 0.000 -5.339) 9.382 9.353 ( -14.474 0.000 1.957) 14.606 10.052 ( 0.105 0.000 0.890) 0.896 10.362 ( 0.676 0.000 -6.946) 6.979 10.383 ( 0.827 0.000 -2.462) 2.597 10.542 ( 7.019 0.000 9.200) 11.572 10.598 ( 0.920 0.000 -2.927) 3.069 11.003 ( 6.661 0.000 -0.333) 6.670 11.064 ( -2.619 0.000 4.619) 5.310 11.186 ( 0.608 0.000 -2.400) 2.476 11.514 ( -2.200 0.000 -0.223) 2.211 12.593 ( 0.186 0.000 2.570) 2.577 12.641 ( -0.846 0.000 -1.845) 2.029 12.692 ( -0.927 0.000 -1.614) 1.861 13.106 ( 5.451 0.000 -0.881) 5.521 16.650 ( -1.367 0.000 -1.752) 2.222 16.755 ( 4.127 0.000 0.860) 4.216 16.771 ( 2.392 0.000 -2.266) 3.295 16.871 ( 3.040 0.000 1.692) 3.479 23.047 ( 3.193 0.000 0.388) 3.217 23.143 ( -2.705 0.000 4.988) 5.675 23.219 ( -9.993 0.000 -2.208) 10.234 23.272 ( 0.792 0.000 10.191) 10.222 23.674 ( -1.650 0.000 -4.499) 4.792 23.945 ( -10.629 0.000 7.378) 12.938 24.709 ( 11.626 0.000 -7.036) 13.589 25.253 ( 2.656 0.000 2.034) 3.345 25.573 ( -0.685 0.000 1.627) 1.766 25.719 ( 3.765 0.000 -9.364) 10.092 26.266 ( -11.221 0.000 -0.934) 11.260 27.551 ( 10.169 0.000 3.528) 10.764 ======================= Grid point 101 (39/172) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -24.263 0.000 -12.756) 27.412 0.883 ( -26.661 0.000 -6.714) 27.494 1.297 ( -35.617 0.000 7.090) 36.316 2.085 ( -13.897 0.000 -0.738) 13.916 2.166 ( -5.998 0.000 -0.309) 6.006 2.350 ( -3.832 0.000 -7.481) 8.405 2.624 ( -5.475 0.000 -4.931) 7.368 2.813 ( -8.903 0.000 2.886) 9.359 2.909 ( -6.699 0.000 -2.266) 7.072 3.108 ( -9.348 0.000 3.844) 10.108 3.277 ( 0.151 0.000 -2.299) 2.304 3.415 ( -10.331 0.000 -1.807) 10.488 3.556 ( 4.201 0.000 6.055) 7.369 3.674 ( 0.256 0.000 7.153) 7.158 3.777 ( 5.279 0.000 -8.053) 9.630 3.896 ( -1.332 0.000 -0.957) 1.640 4.085 ( 4.997 0.000 6.763) 8.409 4.160 ( -3.718 0.000 0.855) 3.815 4.393 ( -5.836 0.000 9.051) 10.769 4.413 ( -4.614 0.000 8.516) 9.686 4.479 ( -2.705 0.000 1.533) 3.110 4.514 ( -3.493 0.000 1.177) 3.686 4.647 ( -0.656 0.000 -1.773) 1.891 5.100 ( -0.553 0.000 -0.762) 0.941 5.403 ( 5.215 0.000 -6.151) 8.064 5.424 ( -3.762 0.000 -4.232) 5.663 5.556 ( 4.839 0.000 4.009) 6.284 5.619 ( -3.714 0.000 4.081) 5.518 5.825 ( -5.037 0.000 1.147) 5.166 5.985 ( 5.272 0.000 -16.626) 17.442 6.038 ( 2.021 0.000 5.075) 5.462 6.132 ( -2.396 0.000 2.957) 3.806 6.229 ( 0.779 0.000 -0.809) 1.123 6.239 ( 1.902 0.000 -7.200) 7.447 6.526 ( 1.113 0.000 -28.995) 29.016 7.233 ( 6.663 0.000 5.860) 8.873 7.461 ( 9.318 0.000 7.672) 12.070 7.478 ( 7.689 0.000 0.744) 7.725 7.987 ( -3.001 0.000 14.119) 14.434 8.132 ( -1.419 0.000 0.824) 1.641 8.873 ( 3.735 0.000 0.175) 3.739 9.096 ( -9.395 0.000 -6.414) 11.375 9.328 ( 1.859 0.000 3.059) 3.579 9.991 ( -5.014 0.000 -1.166) 5.147 10.289 ( -0.415 0.000 -5.356) 5.372 10.412 ( 4.325 0.000 -0.801) 4.399 10.600 ( 1.222 0.000 0.760) 1.439 10.806 ( 9.324 0.000 11.161) 14.543 11.053 ( -3.115 0.000 1.586) 3.496 11.088 ( 5.488 0.000 -2.490) 6.027 11.197 ( 2.162 0.000 0.126) 2.165 11.445 ( -4.434 0.000 -1.740) 4.763 12.617 ( -0.019 0.000 -0.694) 0.694 12.626 ( -0.053 0.000 2.208) 2.209 12.677 ( -0.541 0.000 0.938) 1.083 13.171 ( 4.496 0.000 -1.262) 4.670 16.618 ( -0.666 0.000 -0.781) 1.026 16.786 ( 2.321 0.000 -1.329) 2.675 16.826 ( 3.641 0.000 0.565) 3.684 16.927 ( 1.916 0.000 1.157) 2.239 22.956 ( -6.534 0.000 -5.571) 8.586 23.145 ( -2.183 0.000 2.169) 3.077 23.214 ( 2.297 0.000 6.396) 6.796 23.397 ( -1.662 0.000 10.078) 10.214 23.609 ( 1.675 0.000 -5.478) 5.729 23.785 ( -12.882 0.000 -0.673) 12.900 24.846 ( 10.678 0.000 -1.362) 10.764 25.305 ( -1.349 0.000 4.136) 4.350 25.581 ( -0.792 0.000 1.479) 1.677 25.665 ( 5.225 0.000 -10.075) 11.349 26.110 ( -8.654 0.000 1.041) 8.716 27.721 ( 9.338 0.000 -2.791) 9.747 ======================= Grid point 102 (40/172) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -15.051 0.000 23.820) 28.177 0.462 ( -23.408 0.000 10.481) 25.647 0.872 ( -39.605 0.000 24.832) 46.746 1.869 ( -9.349 0.000 -4.929) 10.569 2.106 ( -3.720 0.000 4.214) 5.621 2.242 ( 1.521 0.000 -7.607) 7.758 2.450 ( -5.702 0.000 -1.621) 5.928 2.714 ( -4.887 0.000 0.219) 4.892 2.895 ( -0.770 0.000 3.599) 3.681 3.008 ( -7.673 0.000 2.826) 8.177 3.186 ( -1.834 0.000 -6.833) 7.074 3.331 ( -1.876 0.000 1.460) 2.378 3.647 ( 3.385 0.000 -2.394) 4.146 3.740 ( 1.952 0.000 -7.266) 7.524 3.868 ( -1.426 0.000 1.256) 1.901 3.941 ( 12.274 0.000 16.959) 20.934 4.140 ( -2.867 0.000 6.066) 6.710 4.232 ( 2.625 0.000 2.743) 3.797 4.390 ( -4.085 0.000 -0.922) 4.188 4.414 ( 1.982 0.000 3.229) 3.789 4.455 ( -1.979 0.000 -1.970) 2.792 4.507 ( -3.247 0.000 3.005) 4.424 4.585 ( -7.155 0.000 3.003) 7.760 4.823 ( -16.830 0.000 -31.780) 35.961 5.372 ( 1.227 0.000 0.266) 1.256 5.399 ( 4.459 0.000 -7.409) 8.648 5.610 ( 0.958 0.000 -7.613) 7.673 5.670 ( 0.191 0.000 8.783) 8.785 5.753 ( -5.379 0.000 3.008) 6.163 5.826 ( -2.307 0.000 -6.933) 7.306 6.068 ( -8.167 0.000 -18.858) 20.551 6.095 ( -1.762 0.000 -7.822) 8.018 6.171 ( 1.718 0.000 -2.135) 2.740 6.191 ( 2.308 0.000 10.760) 11.005 6.301 ( 2.403 0.000 4.054) 4.713 7.348 ( 2.985 0.000 -0.094) 2.986 7.575 ( 4.935 0.000 -2.043) 5.341 7.666 ( 2.337 0.000 4.931) 5.457 8.107 ( -1.867 0.000 -0.086) 1.869 8.244 ( 11.461 0.000 12.274) 16.793 8.904 ( -5.165 0.000 -5.274) 7.382 8.920 ( 2.228 0.000 -0.485) 2.281 9.444 ( 5.598 0.000 11.116) 12.446 9.925 ( -3.030 0.000 1.610) 3.431 10.232 ( -0.656 0.000 -1.013) 1.207 10.454 ( 3.128 0.000 -2.773) 4.181 10.671 ( 4.858 0.000 2.669) 5.543 11.030 ( -0.965 0.000 1.452) 1.743 11.044 ( 2.971 0.000 -0.763) 3.067 11.091 ( 3.109 0.000 2.857) 4.222 11.233 ( 0.472 0.000 1.606) 1.674 11.377 ( -2.227 0.000 0.581) 2.302 12.612 ( -0.462 0.000 -2.809) 2.847 12.637 ( -0.909 0.000 0.769) 1.191 12.685 ( -1.258 0.000 1.620) 2.051 13.213 ( 3.014 0.000 -1.511) 3.372 16.612 ( -0.041 0.000 0.600) 0.601 16.809 ( 1.744 0.000 -0.220) 1.758 16.874 ( 1.929 0.000 -0.205) 1.939 16.956 ( 0.461 0.000 0.444) 0.640 22.828 ( -3.432 0.000 -1.587) 3.781 23.130 ( -1.128 0.000 -0.328) 1.175 23.338 ( 4.312 0.000 4.398) 6.160 23.375 ( -6.841 0.000 -6.655) 9.544 23.576 ( -10.455 0.000 -2.187) 10.681 23.623 ( 3.728 0.000 -1.102) 3.888 24.982 ( 5.941 0.000 2.249) 6.353 25.275 ( -2.097 0.000 -3.012) 3.670 25.577 ( -1.023 0.000 -0.082) 1.027 25.762 ( 11.215 0.000 12.865) 17.067 26.029 ( -5.126 0.000 3.393) 6.147 27.632 ( -7.374 0.000 -24.156) 25.256 ======================= Grid point 103 (41/172) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 1.996 16.086 18.995) 24.971 0.769 ( -11.119 22.856 12.040) 28.125 1.419 ( 0.134 27.298 24.541) 36.708 1.844 ( 1.147 11.180 -2.221) 11.456 2.110 ( 0.917 -4.123 8.804) 9.765 2.285 ( 5.956 4.338 -7.197) 10.300 2.481 ( 3.555 -2.391 -0.281) 4.293 2.619 ( -0.735 -1.953 4.814) 5.247 2.929 ( -2.747 -1.130 2.035) 3.601 2.973 ( 1.747 2.560 -3.959) 5.027 3.118 ( 1.959 -0.475 -4.576) 5.000 3.323 ( 1.389 -2.650 2.748) 4.063 3.439 ( -10.896 -7.216 1.514) 13.156 3.663 ( -4.190 0.587 -1.981) 4.671 3.758 ( 1.137 2.809 -3.645) 4.740 3.920 ( 1.194 1.297 -1.461) 2.289 4.073 ( -3.500 0.460 1.434) 3.810 4.124 ( -2.655 -4.837 -1.575) 5.738 4.280 ( -3.077 -1.694 -2.866) 4.533 4.378 ( -1.669 -1.380 0.282) 2.184 4.388 ( -2.962 -9.733 6.563) 12.107 4.544 ( 6.986 -0.773 1.956) 7.295 4.691 ( -4.171 7.230 1.292) 8.446 4.785 ( 10.861 -7.442 -0.457) 13.174 5.217 ( -2.467 -3.896 -3.745) 5.941 5.283 ( 4.116 -9.963 -3.004) 11.191 5.467 ( 4.920 -12.762 10.251) 17.093 5.674 ( -0.816 -4.953 4.414) 6.685 5.784 ( 2.897 3.139 -3.328) 5.415 5.809 ( -1.123 2.832 2.360) 3.854 5.907 ( 1.569 5.514 -6.826) 8.914 6.078 ( -1.971 2.132 1.726) 3.377 6.217 ( 3.130 -1.076 -2.338) 4.052 6.496 ( 0.421 5.754 9.765) 11.342 6.640 ( 6.599 10.438 -7.261) 14.325 7.445 ( 4.535 4.563 -10.145) 12.013 7.586 ( -2.120 3.634 -8.536) 9.517 7.646 ( -4.325 2.150 -3.504) 5.967 7.914 ( -3.748 -10.717 5.432) 12.585 8.217 ( -5.742 -3.220 -7.439) 9.934 8.825 ( 2.654 -0.445 -3.680) 4.560 8.903 ( -0.108 -1.953 -0.734) 2.089 9.593 ( -1.477 3.206 6.777) 7.641 9.957 ( 0.335 0.716 3.736) 3.818 10.293 ( 2.212 1.100 2.257) 3.346 10.419 ( 0.977 -2.482 -4.918) 5.595 10.599 ( -0.694 -3.854 -0.533) 3.952 10.873 ( -4.108 -1.976 -6.255) 7.740 11.089 ( -1.788 1.292 3.183) 3.873 11.221 ( -1.301 0.558 1.525) 2.081 11.285 ( 1.259 0.735 3.515) 3.806 11.380 ( 0.297 0.010 2.405) 2.423 12.538 ( 2.756 1.607 -2.062) 3.798 12.683 ( -2.280 1.879 -5.249) 6.024 12.758 ( -1.189 5.300 5.532) 7.753 13.266 ( 0.751 0.734 0.764) 1.298 16.635 ( 0.466 0.412 1.915) 2.014 16.788 ( 0.666 -3.022 0.912) 3.226 16.915 ( -0.158 2.004 -0.590) 2.095 16.956 ( -0.947 0.320 -0.460) 1.101 22.909 ( 2.292 5.749 -2.876) 6.824 23.122 ( -0.783 1.629 -1.378) 2.273 23.171 ( -5.605 -1.013 0.530) 5.720 23.328 ( -5.368 -1.106 -1.965) 5.822 23.511 ( 3.623 -0.148 4.280) 5.610 23.755 ( 2.209 7.719 0.890) 8.079 24.311 ( 3.778 -39.010 36.318) 53.432 24.973 ( 0.016 -10.504 4.497) 11.426 25.330 ( 0.666 4.581 1.281) 4.804 25.914 ( -2.547 -4.348 -1.078) 5.153 27.190 ( -10.464 30.370 -30.898) 44.570 27.408 ( 14.623 5.740 -10.649) 18.978 ======================= Grid point 104 (42/172) ======================= q-point: ( 0.08 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 12.037 14.560 13.041) 22.955 1.111 ( 11.827 8.705 19.936) 24.761 1.707 ( 10.796 6.920 11.688) 17.351 1.978 ( 7.007 9.288 8.575) 14.453 2.248 ( 4.675 0.931 4.903) 6.838 2.328 ( 6.302 4.373 -1.718) 7.860 2.554 ( 4.065 -8.205 1.991) 9.371 2.694 ( 2.441 2.595 1.227) 3.769 2.914 ( 0.420 0.169 -1.020) 1.116 2.981 ( 4.603 -0.148 -1.983) 5.014 3.111 ( 3.921 0.125 -2.436) 4.618 3.358 ( -0.345 -3.824 0.820) 3.926 3.418 ( 2.982 -2.702 6.281) 7.459 3.633 ( 0.828 0.782 -0.873) 1.435 3.727 ( 0.893 -0.683 -2.727) 2.950 3.869 ( -0.177 -0.241 -8.911) 8.916 4.057 ( -0.234 -0.963 -0.013) 0.991 4.149 ( 3.319 1.787 2.510) 4.529 4.211 ( -4.405 -1.302 3.828) 5.979 4.375 ( -2.478 0.989 4.941) 5.615 4.417 ( -1.257 -6.262 3.588) 7.325 4.604 ( 0.401 1.389 -1.498) 2.082 4.679 ( -0.694 5.395 0.921) 5.517 4.923 ( 7.406 -4.581 -1.137) 8.782 5.141 ( 3.121 -2.972 -6.629) 7.907 5.324 ( 8.243 -3.501 -4.906) 10.211 5.582 ( -3.026 -1.883 -1.232) 3.771 5.647 ( -1.732 -4.986 -5.708) 7.775 5.799 ( 3.180 1.224 -0.592) 3.458 5.833 ( 3.013 -3.826 2.396) 5.428 5.909 ( 0.912 1.780 2.318) 3.062 6.119 ( 3.293 -1.287 3.810) 5.197 6.269 ( 3.539 -1.420 2.125) 4.365 6.563 ( -3.628 6.372 4.981) 8.865 6.626 ( 0.775 3.730 -6.248) 7.318 7.320 ( -4.511 3.897 -15.924) 17.003 7.395 ( -5.155 0.205 -4.434) 6.803 7.494 ( -4.428 2.244 -6.700) 8.338 7.935 ( -4.091 -10.485 6.965) 13.236 8.086 ( -3.410 -4.785 -1.276) 6.013 8.860 ( 4.998 -0.096 -2.875) 5.766 8.914 ( 4.224 0.684 -2.971) 5.209 9.619 ( -4.713 3.952 6.932) 9.267 10.024 ( 1.395 -1.121 3.225) 3.688 10.318 ( 0.175 -2.465 -1.608) 2.949 10.429 ( 4.842 -0.199 0.609) 4.884 10.553 ( -2.734 -1.160 -3.123) 4.309 10.732 ( -3.583 4.259 -4.031) 6.872 11.112 ( -2.943 -0.881 5.911) 6.662 11.192 ( -2.719 -1.946 1.058) 3.507 11.293 ( -6.337 0.018 2.574) 6.840 11.419 ( 2.115 0.289 0.740) 2.259 12.577 ( 4.028 0.420 -0.922) 4.153 12.598 ( -1.747 1.277 -3.591) 4.192 12.814 ( -1.384 5.624 6.732) 8.880 13.244 ( -2.646 2.277 -1.003) 3.632 16.672 ( 0.533 0.565 2.846) 2.950 16.804 ( -0.594 -2.479 1.148) 2.796 16.891 ( -1.845 1.520 -0.421) 2.428 16.921 ( -2.113 0.171 -1.323) 2.498 22.983 ( 6.557 2.018 1.597) 7.044 23.084 ( -0.930 2.162 -2.311) 3.298 23.124 ( -1.889 -0.915 -0.902) 2.284 23.228 ( -4.722 1.403 0.028) 4.926 23.618 ( 4.620 1.117 1.152) 4.891 23.798 ( 2.073 7.797 1.094) 8.141 24.767 ( 9.291 -35.370 17.009) 40.332 24.999 ( -4.773 -12.684 6.137) 14.877 25.380 ( 2.572 4.370 2.221) 5.536 25.886 ( 2.606 -3.482 -2.500) 5.017 26.723 ( -13.645 29.582 -11.514) 34.553 27.406 ( 6.106 2.482 -15.761) 17.084 ======================= Grid point 105 (43/172) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 19.089 6.552 13.241) 24.138 1.507 ( 14.008 7.310 12.445) 20.113 2.072 ( 17.176 1.199 9.293) 19.565 2.143 ( 6.153 1.281 1.505) 6.463 2.362 ( 7.328 -0.475 1.710) 7.540 2.440 ( 3.354 -0.618 4.859) 5.937 2.627 ( -0.638 -2.173 0.104) 2.267 2.683 ( 3.954 -0.486 -4.546) 6.044 2.900 ( 1.734 0.196 -1.132) 2.080 3.018 ( -1.493 -1.100 0.597) 1.948 3.256 ( 13.364 -2.024 1.170) 13.567 3.395 ( 6.186 -3.502 -4.287) 8.301 3.546 ( 3.289 -0.605 6.354) 7.180 3.630 ( -1.433 1.879 1.624) 2.867 3.739 ( -1.482 2.902 -6.183) 6.989 3.779 ( 7.198 -8.477 -2.328) 11.362 4.051 ( 1.406 0.492 -3.095) 3.434 4.190 ( -1.693 5.337 5.066) 7.551 4.272 ( 3.375 -3.193 1.297) 4.823 4.435 ( -1.840 0.116 12.029) 12.169 4.459 ( 2.306 5.390 2.029) 6.204 4.566 ( 1.897 -1.916 -5.117) 5.784 4.661 ( -1.614 7.700 0.900) 7.919 4.984 ( 2.458 2.225 -1.471) 3.627 5.161 ( 6.198 -1.596 -4.959) 8.096 5.361 ( 2.353 0.536 -9.031) 9.348 5.513 ( 1.678 0.584 -1.939) 2.630 5.560 ( 4.859 2.118 -6.893) 8.695 5.801 ( -0.230 3.353 -1.003) 3.507 5.853 ( -4.831 -0.082 5.560) 7.366 6.029 ( 7.250 -10.347 -0.069) 12.634 6.247 ( 5.220 -3.964 4.640) 8.031 6.364 ( 1.713 -0.814 7.314) 7.556 6.444 ( -9.858 3.079 -4.177) 11.140 6.567 ( -0.435 2.988 -5.199) 6.013 7.034 ( -8.589 -5.106 -11.697) 15.384 7.305 ( -2.840 -1.586 -1.233) 3.479 7.392 ( -1.534 0.990 -2.903) 3.429 7.942 ( -4.455 -8.172 5.458) 10.790 8.045 ( -1.331 -4.918 -1.070) 5.206 8.869 ( -0.084 3.117 -1.288) 3.374 8.968 ( 9.148 1.602 -6.959) 11.605 9.630 ( -5.225 2.406 8.431) 10.206 10.002 ( -4.526 -3.068 -3.580) 6.535 10.368 ( 4.286 -1.750 2.699) 5.359 10.408 ( -2.696 -1.228 -3.356) 4.476 10.589 ( 6.252 4.071 4.845) 8.896 10.679 ( 0.753 3.763 -2.952) 4.841 11.112 ( -6.552 0.161 5.679) 8.672 11.174 ( -6.849 -1.607 0.123) 7.036 11.180 ( -3.853 -1.359 1.905) 4.508 11.441 ( 0.786 -1.250 -1.158) 1.876 12.541 ( -0.648 0.674 -2.207) 2.397 12.636 ( 3.736 -0.822 0.263) 3.834 12.867 ( -1.737 5.292 6.076) 8.242 13.173 ( -4.009 1.919 -1.973) 4.863 16.714 ( 0.363 0.514 2.817) 2.887 16.781 ( -2.893 -0.688 -0.567) 3.027 16.860 ( -2.941 -0.029 -1.517) 3.310 16.869 ( -1.607 -0.018 1.275) 2.052 23.017 ( -0.996 1.718 -2.930) 3.539 23.044 ( -3.090 -0.136 -0.997) 3.250 23.097 ( -1.377 0.341 -0.533) 1.515 23.263 ( 6.706 1.439 4.261) 8.074 23.655 ( 1.725 3.199 -3.902) 5.332 23.854 ( 3.085 8.187 2.164) 9.013 24.952 ( -4.222 -9.258 4.432) 11.099 25.014 ( 0.793 -25.653 7.093) 26.627 25.443 ( 3.122 3.094 0.601) 4.437 25.954 ( 7.172 -1.884 0.312) 7.422 26.482 ( -8.166 18.128 -1.961) 19.979 27.275 ( 1.227 0.460 -13.873) 13.934 ======================= Grid point 106 (44/172) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 13.329 3.959 12.919) 18.980 1.834 ( 11.758 4.722 8.531) 15.275 2.200 ( 7.258 5.688 -6.189) 11.106 2.362 ( 7.062 -0.173 0.111) 7.065 2.484 ( -0.451 -3.365 3.482) 4.863 2.523 ( 8.285 -4.109 -5.854) 10.945 2.623 ( 4.605 0.994 1.519) 4.950 2.707 ( 2.209 -2.632 4.439) 5.614 2.949 ( 1.579 -5.190 -3.036) 6.217 3.054 ( 4.871 2.802 7.984) 9.763 3.347 ( 4.940 -6.395 -5.947) 10.033 3.478 ( 5.275 2.380 -4.608) 7.398 3.587 ( -3.882 1.056 1.020) 4.150 3.665 ( 4.667 2.655 2.201) 5.803 3.712 ( 3.170 0.349 -0.158) 3.193 3.903 ( 6.870 -11.123 0.970) 13.109 4.022 ( 2.397 0.231 -4.639) 5.226 4.225 ( -0.601 1.440 0.326) 1.594 4.302 ( 2.931 2.300 1.215) 3.919 4.514 ( 2.686 2.388 2.156) 4.191 4.579 ( 7.214 0.753 -1.344) 7.376 4.607 ( -0.402 2.825 8.007) 8.500 4.693 ( 4.452 7.902 3.604) 9.760 4.952 ( -2.617 6.491 -0.496) 7.016 5.146 ( -4.109 3.969 -6.645) 8.763 5.296 ( 9.188 1.549 -3.876) 10.092 5.590 ( 8.254 -1.069 -4.439) 9.432 5.627 ( 9.628 1.606 -2.132) 9.991 5.778 ( -3.987 0.265 2.686) 4.814 5.872 ( 2.187 1.955 1.676) 3.378 6.068 ( 0.766 -7.213 -3.780) 8.180 6.209 ( -7.204 -0.055 -4.344) 8.413 6.350 ( -3.791 -4.680 2.630) 6.572 6.441 ( 0.080 -0.419 -7.509) 7.522 6.563 ( 5.027 -1.264 10.970) 12.133 6.792 ( -7.908 -9.651 -7.674) 14.648 7.271 ( -2.012 -0.614 0.912) 2.293 7.373 ( -0.468 0.669 2.529) 2.658 7.926 ( -4.088 -6.215 2.626) 7.889 7.994 ( -3.711 -4.530 -1.070) 5.953 8.846 ( -0.741 6.210 -0.854) 6.312 9.008 ( 7.175 2.311 -7.871) 10.899 9.660 ( -4.130 -0.706 8.588) 9.555 9.845 ( -7.415 -2.307 -5.374) 9.444 10.290 ( -4.385 2.268 -1.779) 5.248 10.555 ( 7.876 -2.722 5.584) 10.031 10.652 ( 1.159 2.793 -3.923) 4.953 10.760 ( 8.109 2.760 3.086) 9.105 11.009 ( -8.376 -0.373 -0.877) 8.430 11.082 ( -7.394 2.043 6.347) 9.957 11.181 ( -0.987 -3.128 0.619) 3.338 11.418 ( -1.211 -1.963 -1.949) 3.019 12.531 ( 1.458 0.297 -0.456) 1.556 12.696 ( 2.756 -1.581 1.132) 3.373 12.897 ( -2.451 4.133 3.952) 6.221 13.080 ( -4.334 1.388 -2.480) 5.183 16.712 ( -3.328 -0.321 -0.969) 3.481 16.745 ( -0.833 -0.344 0.576) 1.069 16.796 ( -2.452 0.759 -0.620) 2.640 16.869 ( -1.615 -0.454 2.192) 2.760 22.952 ( -1.637 2.290 -3.937) 4.840 22.981 ( -3.608 1.043 0.173) 3.760 23.071 ( -2.905 0.205 2.299) 3.711 23.391 ( 2.687 -4.137 -1.189) 5.075 23.609 ( 1.458 5.277 -3.535) 6.517 23.950 ( 5.422 11.501 2.548) 12.968 24.905 ( -6.274 -12.411 3.625) 14.372 25.095 ( 2.852 -11.347 1.807) 11.838 25.487 ( 2.514 0.947 -0.813) 2.807 26.053 ( 1.811 9.292 1.270) 9.551 26.416 ( -0.167 -1.804 2.369) 2.982 27.149 ( 1.100 -0.058 -9.480) 9.543 ======================= Grid point 107 (45/172) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.488 3.287 12.636) 13.292 2.091 ( 10.933 2.903 5.157) 12.432 2.218 ( 5.871 2.167 -6.388) 8.943 2.343 ( 1.339 0.977 -6.269) 6.485 2.471 ( -1.490 0.840 -6.516) 6.737 2.535 ( 3.373 5.965 -0.764) 6.894 2.783 ( 7.294 -3.282 5.248) 9.566 2.843 ( 3.180 -0.741 4.890) 5.879 2.929 ( -0.108 -3.302 0.351) 3.322 3.205 ( 4.540 -2.665 -1.718) 5.538 3.386 ( 8.911 -2.488 -6.695) 11.420 3.441 ( -0.519 2.175 0.012) 2.236 3.566 ( -3.360 -1.633 4.138) 5.575 3.712 ( 4.293 2.164 -4.219) 6.397 3.765 ( 1.446 -0.084 0.892) 1.701 3.926 ( -1.232 -4.733 -2.431) 5.461 4.077 ( 3.187 2.825 3.762) 5.682 4.202 ( 6.653 -3.185 -10.042) 12.460 4.408 ( 4.422 2.557 2.173) 5.551 4.553 ( -7.377 3.615 2.554) 8.604 4.616 ( 4.099 -3.184 4.907) 7.143 4.703 ( 4.682 6.317 2.187) 8.162 4.827 ( 5.488 2.759 1.534) 6.331 4.993 ( -0.114 4.181 5.650) 7.030 5.066 ( 7.623 2.082 -0.676) 7.931 5.451 ( 10.637 0.409 -0.961) 10.688 5.573 ( 0.979 -2.498 -8.493) 8.906 5.726 ( -1.827 0.396 0.861) 2.058 5.813 ( 9.943 1.853 -0.257) 10.118 5.955 ( 5.264 0.928 1.585) 5.576 5.983 ( -2.191 -2.636 -4.961) 6.030 6.108 ( -4.648 0.337 1.082) 4.785 6.240 ( -4.657 -6.107 -4.526) 8.914 6.380 ( -0.298 -2.738 -4.219) 5.039 6.589 ( -8.073 -5.802 -5.887) 11.554 6.797 ( 4.662 -4.600 12.506) 14.117 7.252 ( -1.287 1.150 0.331) 1.757 7.428 ( 0.392 0.801 6.218) 6.281 7.832 ( -7.920 -4.353 -3.874) 9.833 7.939 ( -3.625 -4.087 2.315) 5.933 8.837 ( 0.017 7.804 0.486) 7.819 9.007 ( 4.321 3.082 -6.686) 8.536 9.654 ( -5.633 -2.920 -2.633) 6.870 9.721 ( -3.916 -1.927 5.783) 7.245 10.214 ( -3.787 4.232 -0.664) 5.718 10.612 ( 0.609 1.400 -4.402) 4.660 10.710 ( 3.902 -1.760 2.025) 4.735 10.852 ( 1.571 -1.171 -1.368) 2.390 10.949 ( 1.470 0.335 1.177) 1.913 11.068 ( -3.261 1.210 5.846) 6.803 11.167 ( -1.283 -0.857 0.878) 1.776 11.366 ( -2.958 -1.244 -1.021) 3.368 12.573 ( 3.283 0.103 0.998) 3.433 12.745 ( 1.635 -2.007 1.150) 2.833 12.878 ( -3.575 1.847 0.614) 4.070 12.992 ( -3.276 1.582 -1.892) 4.101 16.654 ( -2.597 -0.530 -0.701) 2.741 16.700 ( -2.349 -1.265 -1.795) 3.216 16.788 ( -0.350 1.461 0.946) 1.776 16.866 ( -1.812 -0.221 1.667) 2.472 22.887 ( -1.522 1.913 -2.202) 3.291 22.944 ( -1.978 2.318 1.037) 3.219 23.065 ( -3.561 0.026 5.141) 6.254 23.298 ( -4.910 -1.336 -5.787) 7.706 23.653 ( 4.104 -0.291 0.065) 4.115 24.064 ( 5.905 15.005 0.707) 16.141 24.851 ( -4.244 -16.294 0.981) 16.866 25.168 ( 4.165 -1.488 1.461) 4.658 25.497 ( 0.599 0.030 -1.633) 1.740 26.029 ( -3.876 17.416 -0.351) 17.846 26.502 ( 4.469 -15.767 3.513) 16.760 27.091 ( 2.248 0.124 -4.860) 5.356 ======================= Grid point 108 (46/172) ======================= q-point: ( 0.42 0.17 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -4.636 -1.215 -0.139) 4.794 2.273 ( 6.335 4.205 2.578) 8.028 2.313 ( 4.119 2.363 1.012) 4.855 2.343 ( 4.031 4.914 -1.091) 6.449 2.350 ( -1.203 0.027 -1.490) 1.915 2.611 ( 6.690 11.667 -0.694) 13.467 2.856 ( 0.717 -3.104 -0.462) 3.219 2.866 ( 0.075 -4.081 -3.895) 5.642 2.980 ( -0.667 3.685 0.796) 3.829 3.200 ( 0.839 -5.447 0.652) 5.550 3.364 ( -2.870 -3.287 0.019) 4.364 3.500 ( 6.453 4.547 -3.724) 8.728 3.613 ( 1.787 -1.371 3.311) 4.005 3.729 ( 5.398 -0.545 -6.058) 8.133 3.774 ( -1.249 -3.457 2.101) 4.234 3.896 ( -0.359 0.053 0.706) 0.794 4.097 ( -1.929 3.531 0.206) 4.029 4.240 ( 7.909 1.800 -6.126) 10.165 4.435 ( -2.441 4.030 0.298) 4.721 4.510 ( -2.884 -3.942 8.300) 9.630 4.675 ( 3.046 1.654 -4.538) 5.710 4.815 ( 3.095 -0.902 3.282) 4.601 4.928 ( 0.936 4.506 4.934) 6.747 5.066 ( 1.097 -2.583 4.656) 5.437 5.249 ( 8.959 -1.099 1.504) 9.151 5.481 ( -0.688 -5.702 1.004) 5.830 5.571 ( 9.589 -0.579 -6.619) 11.666 5.699 ( -1.352 2.356 -0.652) 2.794 5.907 ( 1.887 -1.010 -4.132) 4.654 5.913 ( 2.343 1.593 -5.359) 6.062 6.054 ( -1.782 -0.703 2.169) 2.894 6.086 ( 4.468 -1.874 4.991) 6.956 6.179 ( 1.291 -0.628 -2.828) 3.171 6.306 ( -3.521 -1.900 -2.925) 4.956 6.418 ( -5.325 -2.425 -3.037) 6.592 6.960 ( 0.006 -6.688 6.778) 9.523 7.239 ( -0.331 1.658 -0.604) 1.795 7.532 ( 2.473 1.487 8.050) 8.551 7.620 ( -10.006 -2.094 -6.688) 12.216 7.921 ( -2.734 -3.558 2.668) 5.221 8.850 ( -0.339 8.722 1.355) 8.833 8.998 ( 3.630 3.523 -4.677) 6.889 9.557 ( -2.227 -2.933 -0.850) 3.779 9.742 ( -3.379 -3.999 5.222) 7.394 10.160 ( -2.297 5.086 0.054) 5.581 10.568 ( 1.004 1.486 -5.224) 5.523 10.710 ( -1.033 -0.079 -2.140) 2.378 10.889 ( 2.587 -2.388 0.892) 3.632 10.950 ( -1.167 -3.245 -2.751) 4.411 11.115 ( 4.303 0.580 -0.399) 4.360 11.190 ( -1.584 1.403 6.411) 6.751 11.302 ( -4.426 -0.209 -0.069) 4.431 12.640 ( 2.899 0.784 1.006) 3.167 12.768 ( 0.479 -2.871 -0.312) 2.927 12.815 ( -3.356 -0.035 -0.655) 3.420 12.935 ( -1.353 1.753 -1.692) 2.787 16.619 ( -1.235 -0.768 -0.153) 1.463 16.657 ( -0.714 -1.127 -0.873) 1.595 16.787 ( -0.241 1.276 -0.377) 1.352 16.852 ( -1.830 -0.018 0.564) 1.915 22.861 ( -0.312 1.731 0.423) 1.809 22.944 ( -0.994 3.415 2.160) 4.162 23.077 ( -4.417 -0.453 7.107) 8.380 23.199 ( -1.416 -0.090 0.152) 1.427 23.699 ( 2.210 -2.667 -0.799) 3.555 24.128 ( 3.533 16.086 -2.755) 16.698 24.798 ( -2.205 -17.571 -1.205) 17.749 25.237 ( 2.351 2.333 -0.389) 3.335 25.479 ( 0.117 1.067 -0.816) 1.348 25.967 ( -2.301 16.406 -1.019) 16.598 26.594 ( 1.888 -17.752 2.932) 18.092 27.087 ( 2.446 -0.405 -2.764) 3.713 ======================= Grid point 109 (47/172) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -6.742 0.425 -3.743) 7.723 2.236 ( -3.535 0.964 -3.621) 5.151 2.333 ( 1.139 1.191 -0.999) 1.928 2.413 ( 6.394 3.700 1.283) 7.498 2.504 ( 1.169 -0.782 9.662) 9.764 2.682 ( 4.589 7.913 -4.831) 10.345 2.769 ( -4.175 -0.637 -2.738) 5.033 2.847 ( -1.750 -0.924 -1.744) 2.638 2.960 ( 3.388 0.563 0.075) 3.436 3.226 ( -0.451 3.656 -0.298) 3.696 3.343 ( -3.794 -11.195 3.489) 12.324 3.518 ( -0.047 -3.881 -3.895) 5.499 3.616 ( 4.441 11.008 -7.242) 13.905 3.758 ( 1.787 -0.227 0.914) 2.020 3.832 ( 4.886 -4.364 3.741) 7.544 3.927 ( 0.015 1.424 3.808) 4.065 4.068 ( -2.684 0.413 0.438) 2.751 4.227 ( -1.327 2.765 -2.410) 3.901 4.440 ( -1.219 2.225 0.453) 2.577 4.571 ( 0.210 0.649 5.573) 5.615 4.691 ( 3.036 2.224 -0.039) 3.764 4.770 ( -5.080 -2.606 -5.996) 8.279 4.972 ( -3.190 -0.433 5.180) 6.099 5.058 ( -4.905 -1.087 0.779) 5.084 5.349 ( 1.055 -3.821 3.219) 5.106 5.588 ( 1.858 -1.719 0.584) 2.598 5.603 ( 0.792 -1.115 3.472) 3.732 5.687 ( 2.957 5.441 -3.063) 6.908 5.876 ( 2.497 1.750 -4.597) 5.516 5.891 ( 5.634 -0.449 -2.848) 6.329 6.049 ( -2.595 1.401 0.700) 3.031 6.124 ( -2.930 0.633 -2.978) 4.226 6.203 ( -1.453 -1.920 0.231) 2.418 6.268 ( 6.727 -5.269 1.545) 8.683 6.402 ( 3.535 -4.364 1.096) 5.722 6.932 ( -8.175 -6.788 -0.448) 10.635 7.223 ( -0.127 1.018 -1.654) 1.947 7.403 ( -6.231 0.074 -6.526) 9.023 7.700 ( 5.792 0.125 8.205) 10.044 7.915 ( -2.226 -2.687 2.805) 4.477 8.848 ( -1.411 9.187 0.735) 9.324 9.021 ( 5.319 4.096 -2.777) 7.265 9.580 ( 3.172 -4.001 3.343) 6.102 9.727 ( -5.299 -5.103 3.426) 8.116 10.154 ( 0.534 5.012 1.205) 5.183 10.517 ( 1.402 1.854 -6.273) 6.690 10.679 ( 1.067 -0.156 -2.692) 2.900 10.859 ( -1.385 -0.789 -7.240) 7.413 10.939 ( 1.170 -3.077 1.773) 3.739 11.126 ( -3.179 2.424 -3.031) 5.017 11.227 ( -3.069 0.011 4.659) 5.579 11.285 ( 2.431 -2.217 3.493) 4.798 12.646 ( -2.120 1.038 -1.161) 2.631 12.764 ( -0.919 -2.409 -1.080) 2.796 12.787 ( 1.300 -0.553 -0.129) 1.419 12.911 ( 1.312 1.109 -1.929) 2.583 16.611 ( 0.326 -0.535 0.184) 0.653 16.662 ( 1.495 -1.079 0.635) 1.950 16.773 ( -0.055 1.021 -1.515) 1.828 16.822 ( -1.643 0.061 -0.865) 1.857 22.888 ( 0.594 1.652 3.437) 3.859 22.950 ( -0.680 4.383 1.735) 4.763 23.102 ( -4.657 -1.245 8.852) 10.079 23.279 ( 4.529 -1.261 7.847) 9.148 23.706 ( 0.273 -1.974 -0.919) 2.194 24.104 ( 0.041 15.360 -5.814) 16.424 24.755 ( -0.416 -16.726 -2.887) 16.978 25.195 ( -2.047 1.023 -5.927) 6.354 25.511 ( 2.035 3.806 2.525) 5.001 25.941 ( 0.751 14.319 -1.454) 14.412 26.621 ( -3.030 -15.254 2.689) 15.783 27.098 ( 3.309 -2.041 -2.366) 4.551 ======================= Grid point 110 (48/172) ======================= q-point: (-0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -8.196 0.956 -4.763) 9.528 2.092 ( -11.162 4.399 -3.864) 12.605 2.287 ( -2.872 -8.415 -5.862) 10.650 2.468 ( 1.773 -2.973 -2.430) 4.229 2.563 ( -0.257 -0.717 -2.507) 2.620 2.657 ( -1.837 3.986 -2.809) 5.211 2.761 ( 0.682 -0.876 8.438) 8.510 2.836 ( -3.947 1.473 8.385) 9.383 3.045 ( 2.093 -4.075 1.956) 4.981 3.169 ( -2.242 -1.319 -6.036) 6.573 3.309 ( 1.601 5.638 -0.041) 5.861 3.469 ( -2.875 -7.307 0.705) 7.884 3.614 ( 7.579 7.525 -10.007) 14.636 3.779 ( -0.116 3.046 0.810) 3.154 3.891 ( -10.192 5.630 3.221) 12.081 3.997 ( 5.244 -1.836 5.869) 8.082 4.048 ( 0.293 -4.128 -1.595) 4.435 4.194 ( -0.993 0.819 1.773) 2.191 4.364 ( -5.078 0.319 -1.861) 5.417 4.533 ( -9.574 4.259 -1.383) 10.570 4.721 ( -0.498 -1.950 0.854) 2.186 4.732 ( 3.757 7.248 0.357) 8.172 4.929 ( -6.804 -2.077 -1.033) 7.189 4.960 ( -8.048 -2.518 3.765) 9.235 5.386 ( -5.908 0.546 10.471) 12.035 5.536 ( -4.721 5.949 -2.969) 8.154 5.565 ( 1.362 2.816 -3.822) 4.939 5.784 ( 3.593 0.082 3.673) 5.138 5.898 ( 2.712 5.004 -2.134) 6.079 5.978 ( -2.492 -0.021 1.330) 2.824 6.004 ( 3.803 -1.656 -0.719) 4.210 6.045 ( -1.779 0.161 -1.850) 2.572 6.185 ( 1.786 -3.350 -1.238) 3.993 6.446 ( 12.249 -10.750 1.594) 16.375 6.488 ( 5.744 -6.104 -0.098) 8.382 6.736 ( -11.927 -5.311 -3.945) 13.639 7.201 ( 0.379 0.174 -1.858) 1.904 7.286 ( -0.509 0.140 -4.572) 4.602 7.878 ( 4.946 -1.734 6.181) 8.105 7.917 ( -1.588 -1.632 2.964) 3.737 8.835 ( -0.595 8.733 0.267) 8.757 9.096 ( 7.476 5.001 -1.569) 9.130 9.652 ( -8.392 -5.389 1.872) 10.147 9.718 ( 6.592 -4.762 5.826) 10.003 10.203 ( 3.031 4.014 2.433) 5.588 10.468 ( 2.305 1.073 -6.894) 7.348 10.658 ( 0.272 0.203 -5.100) 5.111 10.764 ( 1.237 1.145 -6.404) 6.622 10.950 ( -3.574 0.608 -0.765) 3.706 11.022 ( -1.979 1.054 -0.235) 2.255 11.217 ( -4.083 -2.021 2.735) 5.314 11.392 ( 3.987 -3.298 3.900) 6.479 12.594 ( -2.333 0.369 -0.436) 2.402 12.722 ( -1.762 -0.962 -1.484) 2.497 12.797 ( 0.785 0.828 -2.518) 2.764 12.941 ( 4.722 -0.284 -1.051) 4.846 16.635 ( 2.080 0.018 0.666) 2.184 16.711 ( 2.574 -1.097 1.495) 3.173 16.750 ( -0.132 0.768 -1.943) 2.093 16.785 ( -0.386 -0.001 -2.224) 2.257 22.937 ( -0.384 1.977 4.007) 4.484 23.001 ( 2.983 3.920 4.457) 6.643 23.135 ( -5.039 -1.131 9.109) 10.471 23.451 ( 2.819 -4.260 5.567) 7.556 23.720 ( 1.028 1.232 5.352) 5.588 24.000 ( -3.028 13.144 -7.153) 15.267 24.702 ( -0.035 -13.279 -6.026) 14.583 25.084 ( -0.681 -4.286 -7.540) 8.700 25.565 ( -0.119 4.811 2.904) 5.621 25.953 ( 3.539 13.659 -2.186) 14.278 26.557 ( -8.032 -9.655 1.398) 12.637 27.155 ( 6.421 -4.485 -0.083) 7.833 ======================= Grid point 111 (49/172) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -11.406 0.614 -4.836) 12.404 1.763 ( -19.494 1.508 -10.852) 22.362 2.154 ( -3.208 -6.809 -6.655) 10.046 2.366 ( -11.166 1.185 -4.740) 12.189 2.534 ( 2.474 -7.158 -1.931) 7.815 2.557 ( -4.816 1.346 -3.962) 6.379 2.833 ( -9.494 8.225 9.104) 15.514 2.928 ( -0.899 -9.292 5.658) 10.916 2.993 ( -1.887 -1.761 1.379) 2.926 3.152 ( -1.911 2.105 6.525) 7.118 3.407 ( 8.775 4.731 -0.083) 9.969 3.420 ( -1.934 -3.166 -3.803) 5.313 3.575 ( -1.860 -0.360 -6.545) 6.813 3.762 ( -3.373 5.945 -1.447) 6.987 3.798 ( -2.943 7.905 4.232) 9.437 3.951 ( -1.414 -2.729 -7.348) 7.965 4.061 ( -6.844 -11.248 2.688) 13.438 4.232 ( 0.140 0.818 -0.162) 0.846 4.328 ( -0.072 4.541 5.951) 7.486 4.374 ( -8.240 5.708 -0.588) 10.042 4.674 ( -3.973 0.814 -0.719) 4.119 4.719 ( -5.710 6.796 0.505) 8.891 4.776 ( -10.229 -0.161 0.502) 10.243 4.973 ( 1.938 -1.611 4.400) 5.070 5.384 ( -5.622 2.990 5.798) 8.612 5.497 ( -0.008 5.769 -3.562) 6.780 5.574 ( 1.651 0.929 4.837) 5.194 5.767 ( -8.086 1.272 -1.879) 8.399 5.862 ( -4.117 2.093 3.076) 5.549 5.958 ( -2.431 -0.513 2.926) 3.838 6.030 ( 5.417 0.369 -3.420) 6.417 6.111 ( 6.151 -1.574 -0.570) 6.375 6.193 ( 2.534 -4.163 -5.241) 7.157 6.494 ( -10.802 -4.871 -4.171) 12.562 6.573 ( 7.129 -7.455 -2.778) 10.683 6.692 ( 14.948 -9.018 2.695) 17.664 7.204 ( 2.190 -0.220 -0.469) 2.250 7.278 ( 4.346 0.383 -1.752) 4.702 7.912 ( -2.995 -1.262 3.832) 5.025 8.013 ( 3.482 -2.870 3.705) 5.839 8.843 ( 1.255 7.531 0.210) 7.638 9.205 ( 8.478 6.067 -1.494) 10.532 9.511 ( -11.451 -4.455 0.628) 12.303 9.896 ( 6.882 -5.067 5.147) 9.976 10.306 ( 4.687 1.739 3.696) 6.217 10.411 ( 0.602 -0.517 -5.875) 5.928 10.580 ( -0.007 2.329 -5.868) 6.313 10.692 ( -2.386 4.146 -6.506) 8.076 10.914 ( 2.742 -0.404 0.201) 2.779 11.048 ( 0.559 1.156 3.349) 3.587 11.169 ( -3.765 -4.096 -0.108) 5.565 11.477 ( 1.541 -3.129 2.555) 4.323 12.578 ( -0.532 0.618 1.743) 1.925 12.682 ( -1.151 -0.315 -1.354) 1.805 12.758 ( -0.415 2.047 -3.945) 4.464 13.015 ( 5.873 -1.128 -1.105) 6.082 16.687 ( 3.079 0.155 0.725) 3.167 16.701 ( -1.562 0.228 -2.068) 2.602 16.766 ( 1.997 -0.125 -2.458) 3.170 16.793 ( 3.498 -0.412 1.781) 3.946 22.989 ( 1.386 1.634 3.723) 4.296 23.118 ( 1.727 3.676 6.705) 7.839 23.165 ( -3.302 -1.123 8.272) 8.977 23.424 ( -5.817 -0.471 -2.951) 6.540 23.856 ( -2.396 8.429 -5.353) 10.268 23.883 ( -1.109 0.791 12.133) 12.209 24.620 ( 3.246 -8.842 -10.133) 13.834 25.001 ( -0.195 -13.986 -6.403) 15.384 25.563 ( -3.472 4.266 1.363) 5.666 26.002 ( 5.464 14.058 -1.148) 15.126 26.430 ( -7.967 -1.854 -0.184) 8.182 27.296 ( 9.386 -5.629 2.809) 11.299 ======================= Grid point 112 (50/172) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -23.148 -2.827 -11.981) 26.217 1.332 ( -16.255 6.247 -6.815) 18.700 2.005 ( -10.760 10.644 -4.443) 15.774 2.114 ( -12.914 -3.778 -0.859) 13.483 2.409 ( -7.322 3.061 -3.975) 8.876 2.557 ( 0.125 -9.766 -0.266) 9.771 2.686 ( -9.901 9.894 -3.811) 14.507 2.877 ( -7.337 0.723 4.181) 8.476 3.085 ( -1.397 -4.368 4.931) 6.734 3.174 ( -8.783 -0.662 5.567) 10.420 3.290 ( -4.849 1.498 -3.892) 6.396 3.453 ( -4.455 -4.649 -1.052) 6.524 3.543 ( 5.925 3.972 0.247) 7.138 3.637 ( -9.249 -2.077 -0.985) 9.530 3.827 ( 6.592 1.608 -8.101) 10.567 3.922 ( 4.040 4.689 1.474) 6.362 3.978 ( -3.838 -7.357 1.475) 8.428 4.214 ( -5.549 -0.926 2.348) 6.096 4.278 ( -2.389 0.443 2.374) 3.397 4.375 ( -7.585 -0.196 8.782) 11.606 4.583 ( -7.083 2.041 1.067) 7.448 4.642 ( -6.976 3.616 1.043) 7.926 4.690 ( -0.124 5.271 0.257) 5.279 5.051 ( 1.120 -1.011 3.424) 3.741 5.371 ( -2.543 -0.785 -1.939) 3.293 5.470 ( 1.511 0.777 2.152) 2.742 5.569 ( -5.512 0.397 -2.952) 6.265 5.652 ( -6.288 -0.849 1.178) 6.453 5.840 ( -1.700 1.412 1.813) 2.859 5.987 ( -0.027 0.675 5.182) 5.226 6.063 ( 5.288 0.543 -7.151) 8.911 6.111 ( -3.588 -6.130 -3.381) 7.867 6.180 ( 4.450 -0.232 -2.734) 5.228 6.292 ( -6.300 -4.413 -6.621) 10.149 6.655 ( 8.165 -2.397 -4.854) 9.797 6.975 ( 15.479 -4.300 4.521) 16.689 7.270 ( 5.504 -0.564 2.030) 5.893 7.371 ( 8.183 0.772 0.406) 8.229 7.915 ( -3.553 -1.043 5.557) 6.678 8.084 ( 1.269 -3.430 2.441) 4.397 8.877 ( 2.489 5.833 0.397) 6.354 9.291 ( 1.939 2.849 -8.224) 8.917 9.341 ( -7.207 1.642 5.690) 9.328 10.016 ( 1.951 -3.712 1.742) 4.541 10.291 ( -0.347 -1.979 -4.830) 5.231 10.493 ( 2.201 4.025 -0.764) 4.651 10.527 ( 2.020 0.229 2.300) 3.070 10.616 ( 2.370 1.735 -1.274) 3.202 10.988 ( 5.455 -1.576 -0.816) 5.736 11.090 ( -2.743 0.855 2.732) 3.965 11.125 ( 2.035 -3.235 -0.536) 3.860 11.493 ( -1.624 -2.033 0.279) 2.617 12.612 ( 0.709 1.533 2.529) 3.041 12.654 ( -0.498 0.801 -0.668) 1.156 12.707 ( -0.434 2.062 -2.533) 3.295 13.087 ( 5.583 -1.942 -1.875) 6.201 16.653 ( -1.263 0.267 -1.916) 2.310 16.729 ( 2.329 -1.611 -1.132) 3.050 16.795 ( 3.803 1.384 -0.142) 4.049 16.869 ( 3.227 -0.228 1.734) 3.670 23.067 ( 3.396 1.254 2.597) 4.455 23.152 ( -3.627 1.057 3.508) 5.155 23.230 ( -4.958 1.695 0.884) 5.314 23.309 ( -3.552 2.856 7.988) 9.197 23.735 ( -2.079 5.892 -6.164) 8.777 23.932 ( -9.574 -0.935 5.990) 11.332 24.620 ( 10.354 -8.843 -7.207) 15.406 24.887 ( -6.421 -24.378 -5.753) 25.857 25.493 ( -5.490 3.894 -0.885) 6.789 26.071 ( -0.597 5.133 3.303) 6.133 26.372 ( 5.513 17.009 -1.918) 17.983 27.495 ( 10.931 -5.237 3.139) 12.521 ======================= Grid point 113 (51/172) ======================= q-point: (-0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -18.350 11.201 -1.014) 21.522 0.990 ( -20.392 10.918 -3.084) 23.335 1.682 ( -25.242 27.454 0.940) 37.307 1.988 ( -6.095 -6.277 1.972) 8.969 2.238 ( -9.189 4.100 -3.155) 10.545 2.448 ( -4.815 3.563 -7.050) 9.252 2.603 ( -2.088 -1.448 1.879) 3.160 2.723 ( -14.155 0.147 -2.978) 14.465 3.000 ( -2.672 3.747 -2.799) 5.387 3.075 ( -9.439 -2.946 3.559) 10.509 3.245 ( -1.359 -3.191 -1.918) 3.963 3.394 ( -7.222 -2.191 -0.130) 7.548 3.467 ( -2.376 -5.453 2.306) 6.380 3.679 ( 4.100 1.843 2.979) 5.393 3.830 ( 5.142 3.048 -7.993) 9.981 3.927 ( -4.620 -0.175 3.467) 5.778 4.089 ( 5.816 -2.549 7.168) 9.576 4.151 ( -0.409 0.128 0.230) 0.486 4.309 ( -7.150 -7.618 8.289) 13.337 4.366 ( -1.971 -1.859 7.058) 7.561 4.477 ( -7.976 -1.787 1.580) 8.325 4.577 ( -3.089 4.872 -1.166) 5.885 4.680 ( -1.014 4.610 -0.553) 4.752 5.065 ( -2.935 -3.257 -1.198) 4.545 5.289 ( -1.990 -10.784 -4.995) 12.050 5.396 ( -3.629 -5.401 -8.114) 10.401 5.500 ( -8.312 -7.680 -1.561) 11.424 5.620 ( 2.073 1.469 6.172) 6.675 5.785 ( -4.125 1.198 -5.287) 6.812 5.958 ( -4.253 -0.431 -4.384) 6.123 6.049 ( 0.793 -2.678 -3.993) 4.873 6.066 ( -1.029 1.493 0.967) 2.055 6.193 ( 2.367 -3.251 -1.481) 4.285 6.224 ( 3.065 5.498 1.298) 6.427 6.679 ( 7.449 6.461 -11.644) 15.258 7.260 ( 13.429 1.468 3.654) 13.994 7.426 ( 8.385 -2.338 5.754) 10.435 7.518 ( 9.256 1.500 0.312) 9.382 7.934 ( -3.487 -2.825 6.318) 7.750 8.136 ( 2.604 -1.573 3.234) 4.440 8.923 ( 2.283 3.629 0.477) 4.313 9.093 ( -10.224 -0.431 -4.605) 11.222 9.408 ( 3.441 7.283 1.791) 8.252 9.993 ( -3.918 -0.276 -0.461) 3.954 10.270 ( 1.592 -0.856 -2.588) 3.157 10.447 ( 0.851 2.086 -2.730) 3.540 10.564 ( 0.464 -2.993 0.289) 3.043 10.803 ( 8.958 -0.461 8.863) 12.610 11.011 ( -0.445 -3.512 -0.758) 3.620 11.099 ( 4.795 -0.495 -2.331) 5.355 11.187 ( 1.731 1.586 3.472) 4.191 11.440 ( -3.861 -0.626 -1.407) 4.157 12.596 ( -0.859 1.466 -2.885) 3.348 12.694 ( -0.317 2.672 2.081) 3.402 12.701 ( 2.384 2.042 2.639) 4.101 13.141 ( 4.499 -2.884 -2.006) 5.708 16.621 ( -0.547 0.261 -0.935) 1.114 16.746 ( 2.001 -2.646 -1.111) 3.498 16.858 ( 3.547 1.957 0.469) 4.078 16.928 ( 2.095 0.081 1.182) 2.407 23.031 ( -5.412 6.242 -4.751) 9.530 23.149 ( -0.249 0.393 2.041) 2.093 23.214 ( 0.604 0.146 5.893) 5.925 23.405 ( -3.130 0.590 11.062) 11.512 23.652 ( 0.072 3.551 -4.965) 6.105 23.771 ( -11.090 -0.998 -3.263) 11.603 24.554 ( -19.435 -33.933 -6.750) 39.682 24.784 ( 5.821 -10.412 0.437) 11.937 25.395 ( -4.613 4.703 -1.312) 6.717 26.039 ( -6.939 -4.289 3.620) 8.925 26.606 ( 25.066 34.305 -0.392) 42.488 27.676 ( 9.883 -4.105 -2.076) 10.901 ======================= Grid point 114 (52/172) ======================= q-point: (-0.08 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -16.339 18.315 5.524) 25.158 0.767 ( -4.998 25.013 17.310) 30.826 1.335 ( -24.495 35.273 12.856) 44.827 1.939 ( -4.357 4.109 -0.646) 6.024 2.070 ( -6.861 -1.868 0.890) 7.166 2.327 ( 0.750 4.928 -8.063) 9.480 2.493 ( -4.933 3.036 -2.798) 6.433 2.607 ( -3.813 -5.020 4.047) 7.491 2.971 ( -4.243 -0.781 0.727) 4.375 2.983 ( -0.988 1.132 -0.080) 1.505 3.167 ( -0.604 -1.666 -6.300) 6.544 3.312 ( -2.425 -1.207 0.748) 2.810 3.512 ( -0.851 -11.389 3.727) 12.014 3.743 ( -2.529 0.649 4.398) 5.115 3.788 ( 2.613 2.053 -7.605) 8.300 3.916 ( -2.693 0.412 4.176) 4.986 4.122 ( -3.619 0.535 2.344) 4.345 4.269 ( -3.776 -6.006 6.850) 9.862 4.319 ( -0.075 -6.629 0.641) 6.660 4.380 ( -5.192 -8.905 -1.001) 10.356 4.405 ( 0.272 -1.343 2.274) 2.655 4.486 ( -4.151 0.038 -4.966) 6.472 4.653 ( 0.095 4.388 0.640) 4.435 4.830 ( -6.962 -0.689 -15.318) 16.840 5.212 ( -2.782 -19.770 5.706) 20.764 5.293 ( -5.344 -8.579 0.371) 10.114 5.403 ( -1.111 1.229 -0.593) 1.760 5.659 ( -2.490 -1.842 -1.420) 3.407 5.721 ( -0.418 1.636 7.017) 7.217 5.855 ( -2.903 6.117 -2.741) 7.304 5.980 ( 2.031 2.321 -8.568) 9.106 6.090 ( -1.271 0.008 2.342) 2.664 6.211 ( 2.521 -2.500 -2.877) 4.569 6.344 ( 3.357 8.548 8.813) 12.728 6.642 ( 7.830 12.601 -12.640) 19.490 7.431 ( 8.800 4.127 -4.151) 10.569 7.605 ( 5.813 -0.185 0.562) 5.843 7.642 ( 4.300 -0.986 2.355) 5.001 7.933 ( -4.164 -6.653 3.308) 8.517 8.264 ( 8.612 -1.954 -0.940) 8.881 8.895 ( -4.559 -0.417 -4.998) 6.778 8.944 ( -2.446 -0.096 -0.918) 2.614 9.495 ( 2.203 6.121 6.504) 9.199 9.942 ( -2.581 1.014 1.561) 3.182 10.258 ( 0.064 2.376 -0.096) 2.378 10.447 ( 2.615 -1.657 -3.770) 4.878 10.588 ( 0.811 -4.933 1.738) 5.293 10.941 ( 0.724 -6.779 -0.588) 6.842 11.087 ( 5.056 2.229 5.445) 7.758 11.117 ( 1.741 2.357 -1.079) 3.122 11.255 ( 1.943 2.099 2.435) 3.756 11.370 ( -2.750 -0.613 0.151) 2.821 12.550 ( -0.235 1.154 -2.857) 3.090 12.715 ( -1.020 3.589 3.739) 5.282 12.757 ( 2.148 1.916 -2.770) 3.995 13.199 ( 3.953 -2.183 1.760) 4.846 16.615 ( 0.114 0.289 0.501) 0.589 16.766 ( 1.478 -3.046 -0.114) 3.388 16.905 ( 1.940 2.039 -0.030) 2.814 16.959 ( 0.570 0.300 0.418) 0.768 22.936 ( -0.127 7.436 -3.309) 8.140 23.145 ( -0.660 1.350 -0.570) 1.607 23.312 ( 1.950 -1.771 1.521) 3.041 23.395 ( -6.136 1.284 -4.928) 7.974 23.521 ( -10.955 -4.285 -0.280) 11.766 23.681 ( 1.848 1.701 4.327) 5.004 24.130 ( -31.362 -30.441 19.536) 47.874 24.895 ( 4.519 -9.278 2.500) 10.618 25.334 ( -2.019 4.708 -0.176) 5.126 25.974 ( -5.331 -4.884 1.627) 7.411 27.068 ( 35.776 29.410 -7.369) 46.896 27.663 ( -0.045 1.516 -18.584) 18.646 ======================= Grid point 115 (53/172) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.376 21.447 11.058) 24.169 1.281 ( -7.450 24.743 3.011) 26.015 1.881 ( -7.066 5.578 3.498) 9.658 1.932 ( 3.460 0.610 -1.380) 3.774 2.071 ( 2.113 -7.247 -0.848) 7.596 2.280 ( 3.111 3.240 3.652) 5.790 2.588 ( -0.190 15.067 -3.650) 15.504 2.655 ( 1.208 4.333 5.844) 7.374 2.920 ( -1.799 1.269 3.041) 3.754 2.980 ( 4.294 -0.134 -1.872) 4.686 3.115 ( 2.519 0.831 -5.450) 6.062 3.267 ( -0.437 -2.719 0.998) 2.929 3.313 ( -4.284 -5.021 3.889) 7.661 3.689 ( -2.209 -5.243 -5.991) 8.262 3.737 ( -4.454 -1.864 -1.821) 5.161 3.879 ( 1.566 -4.340 -4.912) 6.739 4.013 ( -2.978 -2.309 3.699) 5.280 4.116 ( -3.843 0.278 3.185) 4.999 4.169 ( 1.197 -7.204 6.305) 9.648 4.284 ( 0.629 0.464 -0.003) 0.782 4.357 ( -1.267 -0.324 -0.172) 1.319 4.514 ( 2.211 -5.918 4.907) 7.999 4.613 ( 8.763 -3.832 7.179) 11.959 4.772 ( 3.285 -0.748 0.284) 3.382 5.072 ( 3.481 -4.597 3.918) 6.972 5.141 ( -1.940 -3.733 0.375) 4.224 5.383 ( -2.275 -0.011 -1.642) 2.806 5.534 ( 0.672 -6.778 -2.804) 7.366 5.856 ( 1.331 5.267 -0.900) 5.506 5.938 ( 1.157 5.696 -3.621) 6.848 5.995 ( 2.551 2.615 -3.055) 4.762 6.088 ( -0.363 -3.125 -1.458) 3.467 6.241 ( -1.661 5.292 5.237) 7.629 6.507 ( -1.262 -3.918 6.784) 7.935 6.874 ( 1.425 13.016 -4.941) 13.995 7.412 ( -0.381 -8.715 -5.360) 10.239 7.621 ( 0.572 -1.833 0.834) 2.093 7.645 ( 1.529 0.642 -6.074) 6.296 7.865 ( -4.002 5.458 -6.584) 9.442 8.125 ( -3.866 -5.377 -12.036) 13.738 8.819 ( 2.416 0.045 -2.410) 3.413 8.862 ( 0.958 -1.867 -0.667) 2.202 9.717 ( -1.063 7.826 4.186) 8.938 9.955 ( -0.417 -1.522 2.782) 3.198 10.320 ( -0.672 0.473 -0.244) 0.857 10.354 ( 1.244 -2.858 -2.043) 3.727 10.561 ( 1.237 0.964 1.014) 1.868 10.779 ( 0.041 -6.453 -0.636) 6.485 11.139 ( -3.602 3.295 -0.550) 4.913 11.253 ( -4.491 0.226 -2.096) 4.961 11.286 ( 2.275 1.025 4.686) 5.309 11.371 ( 1.992 -0.999 2.763) 3.550 12.583 ( 1.567 2.603 -2.716) 4.075 12.681 ( -1.403 -1.477 -4.409) 4.857 12.905 ( -0.166 8.420 5.991) 10.335 13.218 ( 0.575 -5.017 5.297) 7.319 16.648 ( 0.608 0.995 1.957) 2.278 16.727 ( 0.688 -2.785 1.377) 3.182 16.948 ( -0.367 1.169 -0.748) 1.436 16.962 ( -0.892 0.263 -0.620) 1.118 23.011 ( 0.477 4.041 -3.863) 5.610 23.127 ( -2.782 -1.781 -1.215) 3.520 23.182 ( -1.902 2.563 -0.905) 3.318 23.294 ( -2.904 -2.218 -1.261) 3.866 23.532 ( 3.029 2.237 7.507) 8.399 23.766 ( 3.592 -9.919 20.462) 23.021 24.054 ( 0.919 10.758 1.583) 10.912 24.694 ( 0.094 -15.916 2.003) 16.042 25.456 ( 0.145 7.519 1.201) 7.615 25.792 ( -1.613 -7.403 -0.339) 7.584 27.462 ( -4.909 5.961 -10.505) 13.038 27.547 ( 6.760 3.915 -16.371) 18.140 ======================= Grid point 116 (54/172) ======================= q-point: ( 0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.668 19.531 9.737) 21.888 1.394 ( 10.669 17.945 13.496) 24.859 1.881 ( 4.217 7.552 3.186) 9.218 1.981 ( 3.701 -6.360 0.427) 7.371 2.174 ( 7.585 -13.580 3.298) 15.900 2.344 ( 5.855 -6.011 -4.371) 9.462 2.574 ( -1.161 13.405 1.041) 13.496 2.768 ( 4.246 4.882 2.999) 7.131 2.885 ( 0.712 0.954 -8.136) 8.222 3.056 ( 1.983 4.459 3.606) 6.068 3.116 ( 4.788 1.243 -1.249) 5.102 3.274 ( 0.261 -3.602 0.556) 3.654 3.360 ( 1.900 -3.059 7.404) 8.233 3.561 ( -3.769 -14.846 -5.342) 16.222 3.702 ( 2.418 5.285 -1.850) 6.099 3.859 ( 2.584 -1.064 -5.214) 5.916 4.018 ( 0.377 -0.338 2.469) 2.521 4.178 ( 2.868 -0.474 5.784) 6.473 4.236 ( -0.619 -0.063 1.805) 1.909 4.289 ( 0.709 -2.779 1.144) 3.088 4.418 ( 3.287 2.830 8.477) 9.522 4.608 ( 2.352 -1.332 1.788) 3.241 4.817 ( 4.444 5.648 -0.417) 7.199 4.857 ( 9.390 1.358 4.342) 10.435 5.095 ( 1.415 -2.087 -2.640) 3.651 5.216 ( 11.210 -7.182 -2.934) 13.633 5.407 ( 2.676 -7.797 4.599) 9.439 5.496 ( -0.896 -8.153 -3.345) 8.858 5.857 ( 1.232 4.316 -1.347) 4.686 5.901 ( -0.923 6.260 -1.929) 6.615 6.001 ( -1.010 3.015 -0.891) 3.302 6.082 ( 1.284 -3.008 0.722) 3.350 6.286 ( -0.293 3.822 5.552) 6.747 6.548 ( -1.947 -5.641 4.391) 7.409 6.785 ( -6.191 11.101 -5.282) 13.765 7.283 ( -6.952 -8.621 -10.932) 15.562 7.444 ( -9.839 4.000 -8.921) 13.871 7.529 ( -6.463 0.691 -7.886) 10.219 7.793 ( 0.643 -1.723 0.233) 1.853 7.959 ( -1.295 -6.798 -5.036) 8.558 8.870 ( 6.165 0.947 -2.216) 6.619 8.912 ( 6.628 -0.676 -2.366) 7.070 9.729 ( -3.874 6.481 4.297) 8.688 9.976 ( -1.303 -3.874 1.338) 4.300 10.290 ( 0.326 -0.061 -0.842) 0.905 10.381 ( 2.363 -3.388 -1.005) 4.252 10.595 ( 1.570 4.350 2.066) 5.065 10.771 ( -0.395 -1.014 -0.062) 1.090 11.085 ( -3.677 -0.338 1.946) 4.174 11.163 ( -4.957 -1.813 -0.093) 5.279 11.313 ( -4.459 2.278 2.801) 5.738 11.411 ( 0.093 -1.218 1.151) 1.679 12.589 ( 2.414 0.655 -1.739) 3.047 12.609 ( -1.238 -0.026 -3.725) 3.925 12.966 ( -2.009 8.521 6.827) 11.102 13.242 ( -3.524 -2.885 2.791) 5.342 16.688 ( 0.570 1.004 2.895) 3.117 16.755 ( -0.007 -2.236 2.060) 3.040 16.914 ( -2.338 0.818 -1.070) 2.699 16.925 ( -2.267 0.157 -1.474) 2.708 23.025 ( 3.079 1.892 -0.348) 3.631 23.088 ( -1.651 -1.267 -0.919) 2.275 23.154 ( 0.809 3.106 -2.455) 4.041 23.243 ( -1.313 -0.278 -0.554) 1.452 23.683 ( 5.180 5.596 5.762) 9.558 24.000 ( 2.351 9.278 4.312) 10.498 24.212 ( 9.851 -16.621 14.011) 23.866 24.697 ( -2.763 -16.583 2.346) 16.975 25.496 ( 2.185 6.715 2.035) 7.349 25.784 ( 2.281 -6.194 -1.279) 6.724 27.153 ( -12.054 14.172 -12.538) 22.435 27.431 ( -0.242 -0.811 -13.564) 13.590 ======================= Grid point 117 (55/172) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 11.129 11.859 12.761) 20.672 1.727 ( 11.068 13.378 11.078) 20.596 2.055 ( 3.566 -5.912 9.753) 11.949 2.111 ( 13.618 -0.813 3.314) 14.039 2.319 ( 6.037 -10.156 1.779) 11.948 2.415 ( 6.038 -9.435 1.435) 11.293 2.550 ( 0.820 11.763 -3.771) 12.380 2.750 ( 0.184 5.064 -7.803) 9.304 2.865 ( 5.017 -2.227 -4.290) 6.966 3.082 ( -3.083 4.659 4.513) 7.182 3.176 ( 3.122 -7.585 -4.888) 9.549 3.346 ( 10.280 -0.982 -0.875) 10.364 3.507 ( 3.856 -3.106 7.935) 9.353 3.529 ( 4.726 -11.336 1.687) 12.397 3.716 ( 0.927 5.195 -0.849) 5.345 3.808 ( 0.458 2.447 -7.381) 7.790 4.093 ( 4.213 3.309 -1.699) 5.620 4.235 ( 3.468 -0.913 -1.942) 4.078 4.270 ( -0.819 2.352 5.416) 5.961 4.352 ( 3.833 -5.949 3.496) 7.893 4.582 ( 2.535 5.073 5.731) 8.062 4.617 ( 0.282 4.093 0.806) 4.181 4.860 ( 3.586 11.930 0.161) 12.459 5.040 ( 8.403 3.246 1.117) 9.077 5.148 ( 9.116 0.343 -3.089) 9.631 5.331 ( 5.615 -2.390 -5.177) 8.003 5.433 ( 1.145 -9.659 1.839) 9.899 5.526 ( 4.483 -4.879 0.719) 6.665 5.866 ( 0.543 2.355 0.416) 2.453 5.898 ( 0.635 3.024 1.621) 3.489 5.952 ( -0.641 3.502 -3.530) 5.014 6.130 ( 1.949 -6.308 2.317) 6.997 6.362 ( 0.033 1.281 5.538) 5.685 6.498 ( -6.384 1.106 -9.067) 11.144 6.599 ( -8.285 1.405 3.837) 9.238 6.887 ( -17.499 -8.729 -16.073) 25.313 7.300 ( -3.267 1.394 -0.646) 3.610 7.393 ( -2.559 -1.082 -2.293) 3.603 7.815 ( 0.601 -3.209 0.691) 3.337 7.919 ( 0.355 -6.447 -2.763) 7.024 8.931 ( 4.486 2.774 -1.719) 5.548 8.991 ( 8.982 0.337 -5.289) 10.429 9.702 ( -6.496 4.493 4.983) 9.339 9.917 ( -5.575 -5.026 -2.035) 7.777 10.348 ( 4.636 -0.227 2.885) 5.465 10.380 ( 0.555 -1.381 -1.585) 2.175 10.681 ( 4.836 4.827 3.415) 7.639 10.761 ( -0.260 3.249 -0.883) 3.377 11.077 ( -1.794 -4.118 2.945) 5.371 11.087 ( -6.054 -2.746 1.245) 6.764 11.239 ( -7.471 4.222 1.889) 8.787 11.401 ( -1.833 -2.732 -0.329) 3.307 12.560 ( -0.305 1.129 -2.256) 2.541 12.614 ( 2.501 -1.284 -0.486) 2.853 13.000 ( -3.402 6.950 5.765) 9.649 13.189 ( -5.471 -0.970 0.609) 5.590 16.728 ( 0.021 0.747 2.489) 2.599 16.763 ( -1.667 -0.942 0.770) 2.064 16.861 ( -3.092 0.110 -1.281) 3.349 16.868 ( -2.430 -0.145 0.046) 2.435 23.038 ( -1.450 0.235 -0.185) 1.481 23.044 ( -2.609 0.076 -0.626) 2.684 23.135 ( 0.400 3.331 -3.019) 4.513 23.266 ( 3.982 -1.414 -0.166) 4.229 23.791 ( 2.594 10.372 0.545) 10.705 24.077 ( 4.737 13.154 3.427) 14.395 24.497 ( 4.727 -23.179 7.594) 24.845 24.703 ( 1.663 -14.490 4.726) 15.332 25.554 ( 2.480 6.589 0.835) 7.090 25.842 ( 6.255 -6.994 0.007) 9.383 26.846 ( -11.642 15.768 -7.451) 20.969 27.246 ( -3.737 -3.839 -10.696) 11.963 ======================= Grid point 118 (56/172) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 12.512 6.499 10.950) 17.852 1.970 ( 5.367 7.648 8.871) 12.883 2.211 ( 2.508 -3.210 6.494) 7.666 2.340 ( 1.292 -7.217 4.195) 8.447 2.432 ( 9.932 -2.385 -1.246) 10.290 2.515 ( 5.187 -4.648 4.125) 8.095 2.577 ( 10.735 10.646 -4.981) 15.918 2.736 ( 3.453 3.160 1.486) 4.911 2.856 ( 0.876 -3.234 -3.816) 5.078 3.120 ( -0.297 2.435 5.965) 6.450 3.156 ( 7.944 -10.094 -8.509) 15.408 3.487 ( 6.145 -6.079 1.737) 8.817 3.615 ( -0.006 0.002 -2.422) 2.422 3.654 ( 4.841 -1.383 -2.056) 5.438 3.761 ( 5.789 3.311 -0.523) 6.690 3.771 ( 7.295 1.779 3.683) 8.364 4.051 ( 0.741 2.402 -7.924) 8.313 4.180 ( -1.860 -2.884 -6.494) 7.345 4.389 ( 5.449 3.292 4.147) 7.598 4.482 ( 4.636 -3.375 5.567) 7.992 4.621 ( 4.764 3.338 -2.211) 6.223 4.655 ( -1.972 0.638 2.138) 2.978 4.950 ( 2.191 14.339 5.619) 15.556 5.088 ( -0.397 5.831 -0.863) 5.908 5.263 ( -4.746 5.090 -4.982) 8.559 5.301 ( 12.784 1.079 -1.689) 12.940 5.518 ( 5.015 -5.898 -0.252) 7.746 5.644 ( 10.664 -1.659 0.075) 10.792 5.845 ( -3.243 4.199 -2.382) 5.816 5.912 ( 2.313 -2.078 -5.081) 5.956 5.939 ( 1.058 3.018 2.745) 4.214 6.165 ( 0.296 -4.793 -4.389) 6.506 6.235 ( -5.715 -5.401 0.184) 7.865 6.407 ( -12.597 -6.609 -14.243) 20.130 6.516 ( 2.196 -1.720 8.572) 9.015 6.595 ( -7.077 -5.882 4.446) 10.220 7.285 ( -1.266 1.980 2.520) 3.446 7.376 ( -0.641 -0.601 3.169) 3.289 7.817 ( -0.844 -3.693 -0.581) 3.833 7.879 ( -1.213 -5.747 -2.811) 6.512 8.971 ( 3.190 5.311 -1.341) 6.339 9.055 ( 8.381 1.582 -6.994) 11.030 9.656 ( -7.494 0.751 5.865) 9.545 9.779 ( -8.022 -3.881 -2.251) 9.192 10.354 ( -1.071 3.746 -0.050) 3.896 10.498 ( 6.599 -2.896 4.660) 8.582 10.718 ( 0.385 3.468 -4.459) 5.662 10.812 ( 4.946 1.469 1.202) 5.298 10.989 ( -6.056 -0.871 0.196) 6.122 11.086 ( -2.605 -3.187 2.698) 4.922 11.171 ( -4.565 3.801 3.833) 7.070 11.359 ( -2.601 -3.756 -0.299) 4.578 12.551 ( 1.364 1.713 -0.534) 2.254 12.652 ( 2.253 -2.558 0.525) 3.449 12.993 ( -4.600 4.719 3.326) 7.381 13.099 ( -5.649 0.035 -0.706) 5.693 16.710 ( -3.238 0.117 -1.222) 3.463 16.732 ( -2.177 -0.766 -0.940) 2.491 16.816 ( -1.557 1.098 1.073) 2.187 16.856 ( -1.429 -0.794 2.146) 2.698 22.984 ( -3.403 0.939 -0.901) 3.644 23.006 ( -2.048 0.432 -0.463) 2.144 23.106 ( -1.199 3.751 -0.246) 3.946 23.300 ( 1.031 -4.645 -2.126) 5.211 23.784 ( -0.363 11.966 -2.669) 12.266 24.240 ( 8.913 15.990 4.236) 18.790 24.515 ( -3.734 -21.401 0.522) 21.731 24.884 ( 8.999 -11.803 6.213) 16.090 25.584 ( 1.945 7.116 -1.563) 7.541 25.967 ( 7.268 -10.846 2.255) 13.249 26.614 ( -9.789 15.201 -4.020) 18.522 27.091 ( -2.988 -6.038 -5.982) 9.009 ======================= Grid point 119 (57/172) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.150 3.063 7.484) 8.367 2.144 ( 9.354 2.015 5.200) 10.890 2.265 ( 0.672 2.554 5.438) 6.046 2.358 ( 1.643 -0.223 0.332) 1.691 2.504 ( 5.087 2.654 -5.356) 7.849 2.685 ( 7.611 -0.848 1.410) 7.787 2.747 ( 12.064 6.026 0.867) 13.513 2.810 ( -0.549 0.540 5.739) 5.791 2.844 ( 2.887 -4.124 -1.186) 5.172 3.196 ( 1.016 2.553 -0.403) 2.777 3.233 ( 9.626 -9.842 -0.529) 13.777 3.492 ( -1.687 -0.654 -5.288) 5.589 3.604 ( 1.909 3.089 -4.210) 5.559 3.638 ( 2.472 -5.357 -0.181) 5.903 3.833 ( 2.871 6.058 -5.291) 8.540 3.930 ( 5.081 3.585 1.156) 6.325 4.075 ( 8.545 -2.335 4.522) 9.945 4.109 ( 4.651 -6.245 -8.619) 11.615 4.487 ( -0.371 4.284 3.953) 5.841 4.559 ( -0.628 -2.041 4.224) 4.733 4.593 ( -4.854 1.499 -1.999) 5.459 4.734 ( 10.385 -2.705 -0.279) 10.735 5.001 ( -3.505 12.689 3.073) 13.518 5.102 ( -4.869 4.184 -3.168) 7.159 5.134 ( 2.726 4.120 5.533) 7.417 5.462 ( 10.060 -2.792 -7.797) 13.031 5.493 ( 0.343 -0.528 -6.404) 6.435 5.766 ( -1.610 1.943 -0.694) 2.617 5.838 ( 11.071 -1.627 0.987) 11.234 5.900 ( 2.538 -3.421 -4.121) 5.926 5.960 ( -5.968 -4.917 -3.280) 8.400 6.039 ( -1.782 1.481 2.065) 3.104 6.195 ( 2.137 -0.486 -1.885) 2.890 6.254 ( -1.414 -8.347 0.468) 8.479 6.519 ( -5.725 -0.458 0.001) 5.744 6.676 ( 2.166 -6.540 9.412) 11.664 7.297 ( -0.785 3.375 1.818) 3.913 7.436 ( 0.371 -0.739 6.405) 6.459 7.750 ( -4.294 -2.612 -4.192) 6.544 7.838 ( -1.242 -5.192 -0.317) 5.348 9.007 ( 3.008 7.498 -0.460) 8.092 9.083 ( 5.936 3.602 -6.618) 9.592 9.589 ( -7.582 -2.571 0.679) 8.035 9.659 ( -7.074 -3.936 4.257) 9.147 10.335 ( -2.098 7.312 0.586) 7.630 10.639 ( 2.111 -3.897 4.274) 6.157 10.665 ( 3.054 1.665 -5.328) 6.363 10.795 ( -2.904 -3.386 -4.600) 6.407 10.979 ( 2.200 2.085 -0.061) 3.032 11.067 ( -1.130 -1.446 0.741) 1.979 11.184 ( -1.657 2.712 5.520) 6.370 11.325 ( -2.833 -2.819 1.545) 4.285 12.588 ( 3.040 1.472 0.766) 3.463 12.692 ( 1.692 -2.928 0.730) 3.460 12.932 ( -5.532 3.050 -0.080) 6.318 13.010 ( -4.369 -0.023 -0.755) 4.434 16.646 ( -2.709 -0.119 -1.157) 2.948 16.673 ( -2.448 -1.280 -1.785) 3.289 16.819 ( -0.675 1.407 1.267) 2.010 16.859 ( -1.433 -0.533 1.692) 2.280 22.926 ( -2.604 1.757 -0.448) 3.173 22.977 ( -1.479 0.061 0.512) 1.567 23.097 ( -2.216 3.373 3.168) 5.131 23.250 ( -3.003 -3.153 -2.512) 5.027 23.753 ( 0.493 9.953 -2.197) 10.204 24.387 ( 4.866 4.953 -2.506) 7.382 24.482 ( 0.272 -7.017 2.618) 7.494 25.076 ( 7.907 -8.737 3.203) 12.211 25.582 ( 0.936 7.713 -2.059) 8.038 26.101 ( 5.391 -15.969 3.158) 17.147 26.443 ( -7.198 16.539 -2.403) 18.197 27.013 ( -1.062 -7.947 -2.352) 8.356 ======================= Grid point 120 (58/172) ======================= q-point: ( 0.42 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -3.950 1.801 -0.617) 4.385 2.252 ( -1.351 -4.589 4.157) 6.337 2.396 ( 1.577 4.376 4.378) 6.388 2.412 ( 3.481 4.644 1.374) 5.964 2.505 ( 3.832 9.338 -2.162) 10.322 2.760 ( 2.037 -2.998 -0.054) 3.625 2.818 ( 2.761 -1.404 -5.854) 6.623 2.881 ( 2.840 10.706 2.624) 11.383 2.996 ( 6.609 -5.289 7.606) 11.380 3.114 ( -3.679 2.946 -6.757) 8.238 3.333 ( 2.675 -3.229 -2.407) 4.835 3.434 ( 1.667 -7.855 -3.435) 8.734 3.596 ( 3.433 -0.160 -0.789) 3.527 3.688 ( 2.588 -1.216 1.924) 3.446 3.821 ( 5.283 5.818 -7.871) 11.122 3.980 ( 2.325 5.602 1.021) 6.151 4.065 ( 3.568 -3.310 -10.163) 11.268 4.297 ( 7.909 -1.628 6.580) 10.417 4.441 ( -10.653 -0.117 6.150) 12.301 4.504 ( -2.547 0.298 -1.244) 2.850 4.637 ( 2.817 0.822 1.900) 3.495 4.857 ( 4.442 -1.184 -0.338) 4.609 4.973 ( -0.060 2.900 1.132) 3.114 5.082 ( -2.991 3.564 4.465) 6.449 5.250 ( 3.939 0.297 1.829) 4.353 5.319 ( -1.687 -8.843 -2.197) 9.267 5.585 ( 9.174 2.040 -4.232) 10.307 5.743 ( 0.960 0.225 -3.456) 3.594 5.831 ( -4.052 -3.726 1.753) 5.777 5.913 ( 1.044 -1.660 -0.694) 2.081 5.987 ( 6.312 -1.155 0.307) 6.424 6.116 ( 2.445 2.456 3.347) 4.818 6.212 ( -2.650 -5.037 -0.939) 5.769 6.240 ( 3.743 0.930 -1.095) 4.009 6.406 ( -6.677 3.361 -2.335) 7.832 6.780 ( -0.433 -10.241 4.375) 11.145 7.295 ( -0.649 3.928 -0.718) 4.046 7.503 ( -1.311 -4.405 1.082) 4.722 7.634 ( -2.773 3.544 -0.069) 4.500 7.829 ( -0.959 -5.111 1.648) 5.455 9.052 ( 2.406 9.280 0.517) 9.600 9.095 ( 4.578 5.688 -4.386) 8.518 9.483 ( -5.016 -3.452 0.275) 6.095 9.625 ( -5.688 -7.085 4.934) 10.339 10.304 ( -2.096 8.682 0.262) 8.935 10.617 ( 1.590 3.156 -4.836) 5.990 10.694 ( -2.139 -4.241 -3.937) 6.169 10.738 ( 1.781 -6.522 2.298) 7.141 10.978 ( 1.036 2.677 -2.998) 4.151 11.095 ( 4.368 -2.230 -1.096) 5.026 11.227 ( -2.174 1.966 5.517) 6.247 11.292 ( -4.419 -0.857 1.640) 4.790 12.654 ( 3.503 0.621 1.100) 3.724 12.712 ( 0.048 -2.296 -0.358) 2.324 12.843 ( -4.023 2.460 -1.110) 4.844 12.943 ( -2.434 -0.992 -1.512) 3.032 16.606 ( -1.118 -0.326 -0.365) 1.220 16.631 ( -0.762 -1.316 -0.726) 1.685 16.816 ( -0.669 1.322 -0.115) 1.486 16.849 ( -1.516 -0.287 0.443) 1.606 22.903 ( -1.182 2.224 1.865) 3.134 22.981 ( -0.490 -0.585 2.868) 2.967 23.105 ( -3.319 3.160 4.540) 6.450 23.191 ( -1.826 -0.825 1.071) 2.272 23.746 ( 1.331 7.643 -1.446) 7.892 24.363 ( 1.292 -13.255 -4.979) 14.218 24.541 ( 1.980 12.822 -0.369) 12.979 25.177 ( 3.556 -8.349 -2.658) 9.456 25.588 ( 1.138 9.142 1.483) 9.331 26.194 ( 1.550 -19.361 2.310) 19.560 26.344 ( -2.832 18.850 -0.091) 19.062 26.985 ( 0.050 -9.496 -1.668) 9.642 ======================= Grid point 121 (59/172) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -4.134 3.498 -2.530) 5.978 2.213 ( -4.279 -3.299 -1.812) 5.699 2.402 ( -2.227 3.095 -3.982) 5.514 2.422 ( -4.182 -0.244 3.568) 5.502 2.587 ( 3.510 7.035 -0.139) 7.863 2.703 ( -1.705 -0.554 -5.650) 5.927 2.818 ( -2.585 0.657 -2.648) 3.758 2.860 ( -1.130 0.936 1.678) 2.229 3.033 ( 2.022 2.879 -7.140) 7.959 3.134 ( 0.685 -5.764 4.880) 7.583 3.291 ( -1.331 0.747 -0.650) 1.659 3.455 ( 2.865 0.484 0.668) 2.981 3.698 ( 4.647 -2.411 4.516) 6.914 3.780 ( 3.631 -0.970 4.335) 5.738 3.817 ( 10.192 4.571 -11.682) 16.163 3.985 ( -0.469 1.044 -3.442) 3.628 4.043 ( 3.172 1.788 -1.608) 3.981 4.301 ( -10.531 3.957 3.623) 11.819 4.432 ( -2.908 -4.574 -1.535) 5.634 4.490 ( -0.290 -8.555 5.753) 10.313 4.695 ( 1.630 6.780 4.618) 8.364 4.885 ( 0.863 4.567 -0.367) 4.662 4.948 ( -1.893 -0.703 -2.009) 2.848 5.062 ( -4.183 1.799 0.839) 4.631 5.295 ( 1.379 -1.311 5.564) 5.880 5.485 ( 7.420 -6.750 10.038) 14.191 5.651 ( 2.877 3.542 -1.084) 4.690 5.743 ( 5.594 -0.798 -3.141) 6.465 5.849 ( 2.127 -0.551 3.257) 3.929 5.893 ( -3.756 1.053 0.606) 3.948 6.049 ( 3.406 -3.948 -2.564) 5.810 6.134 ( -5.116 -5.933 -0.108) 7.834 6.157 ( -0.663 0.044 -0.175) 0.687 6.262 ( -2.057 10.512 -4.141) 11.484 6.309 ( 2.378 -4.530 -0.822) 5.182 6.748 ( -6.050 -10.762 -1.300) 12.414 7.259 ( -0.817 2.683 -2.963) 4.080 7.387 ( -4.212 -1.914 -6.561) 8.028 7.717 ( 3.424 1.677 6.881) 7.866 7.846 ( -0.519 -3.845 2.912) 4.851 9.074 ( -0.678 11.665 0.393) 11.691 9.136 ( 6.110 6.828 -2.129) 9.407 9.473 ( 1.712 -6.058 2.787) 6.884 9.582 ( -6.099 -8.720 3.010) 11.058 10.290 ( -0.059 8.042 0.433) 8.054 10.555 ( -0.215 0.641 -6.370) 6.406 10.671 ( 2.863 -0.835 -2.293) 3.761 10.751 ( -0.539 -6.166 -1.208) 6.307 10.975 ( 2.762 4.171 -1.793) 5.314 11.147 ( 2.302 -1.270 -2.432) 3.581 11.224 ( -5.099 -0.395 1.942) 5.470 11.238 ( -3.094 -1.359 3.844) 5.118 12.664 ( -2.723 0.649 -1.320) 3.095 12.710 ( 0.623 -2.112 -0.359) 2.231 12.808 ( 1.035 2.137 -0.501) 2.427 12.909 ( 0.908 -1.373 -2.051) 2.630 16.604 ( 0.777 -0.055 0.495) 0.923 16.636 ( 1.375 -1.378 0.735) 2.081 16.796 ( -0.530 1.082 -1.471) 1.902 16.822 ( -1.441 -0.153 -1.044) 1.786 22.933 ( -0.293 2.549 4.787) 5.431 23.019 ( -0.423 0.234 4.192) 4.220 23.102 ( -3.385 2.885 5.242) 6.874 23.240 ( 2.053 -2.439 5.833) 6.647 23.759 ( 1.714 7.434 -0.087) 7.629 24.334 ( 2.986 -11.018 -5.825) 12.816 24.510 ( -2.156 10.924 -4.258) 11.921 25.115 ( -1.832 -8.581 -8.960) 12.541 25.655 ( 1.258 9.701 5.464) 11.205 26.189 ( -2.045 -5.904 -0.723) 6.290 26.366 ( 1.214 6.501 4.023) 7.741 26.971 ( 1.546 -10.367 -2.382) 10.748 ======================= Grid point 122 (60/172) ======================= q-point: (-0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -6.805 6.257 -5.762) 10.892 2.119 ( -3.095 -3.107 -3.822) 5.818 2.199 ( -14.543 0.409 -8.591) 16.896 2.356 ( -5.841 -8.107 -1.361) 10.084 2.526 ( 1.898 -0.095 -8.586) 8.793 2.636 ( -4.986 -3.795 -5.509) 8.343 2.780 ( 1.338 2.529 5.431) 6.139 2.919 ( -1.838 -6.136 -3.108) 7.120 2.970 ( 1.392 6.760 6.377) 9.397 3.171 ( -3.722 -0.775 6.588) 7.607 3.294 ( -0.918 0.116 1.700) 1.936 3.532 ( 4.310 7.139 0.889) 8.386 3.749 ( 2.161 5.200 -11.478) 12.785 3.806 ( 6.082 -0.616 -0.659) 6.149 3.882 ( -3.710 -7.010 4.876) 9.310 3.967 ( -0.330 -3.733 -1.148) 3.920 4.051 ( -4.308 8.744 0.796) 9.780 4.220 ( -1.565 2.597 3.777) 4.844 4.361 ( -4.339 -1.928 0.439) 4.768 4.495 ( -3.352 -6.615 2.422) 7.801 4.777 ( -1.135 4.793 3.954) 6.316 4.875 ( -6.110 -1.575 1.738) 6.545 4.902 ( 2.760 6.465 -2.315) 7.401 4.992 ( -3.470 6.316 -0.678) 7.238 5.407 ( -0.535 2.181 10.684) 10.917 5.599 ( -1.429 0.721 0.298) 1.628 5.659 ( -2.075 4.428 -1.617) 5.150 5.813 ( 1.710 2.271 2.339) 3.681 5.885 ( 3.074 -2.703 1.912) 4.518 5.972 ( 5.601 -1.943 2.178) 6.316 6.004 ( -3.606 -5.428 -2.946) 7.152 6.089 ( 1.474 -5.900 1.862) 6.360 6.133 ( 0.646 8.026 -3.727) 8.873 6.184 ( 0.283 -4.189 -2.405) 4.838 6.376 ( 4.938 -6.560 1.564) 8.359 6.583 ( -9.552 -9.346 -4.698) 14.166 7.215 ( 0.090 1.252 -2.886) 3.147 7.279 ( -0.341 -0.896 -4.822) 4.916 7.844 ( 2.558 -1.190 5.334) 6.034 7.876 ( 0.076 -2.171 3.027) 3.726 9.051 ( -1.864 11.480 -0.137) 11.631 9.234 ( 8.420 7.928 -0.811) 11.593 9.503 ( -7.704 -8.817 1.941) 11.868 9.589 ( 6.830 -7.472 4.123) 10.930 10.310 ( 1.369 6.007 0.943) 6.233 10.481 ( -0.043 -0.463 -6.117) 6.134 10.665 ( 0.901 0.559 -4.864) 4.978 10.747 ( 4.238 -2.901 -2.509) 5.716 11.004 ( -0.413 4.850 -1.061) 4.981 11.057 ( -3.270 2.177 -2.477) 4.645 11.174 ( -6.157 -1.942 2.302) 6.854 11.297 ( 3.311 -5.779 3.633) 7.587 12.610 ( -2.190 1.249 -0.420) 2.556 12.688 ( -1.373 -2.114 -1.021) 2.720 12.831 ( 2.442 2.299 -2.106) 3.960 12.923 ( 4.071 -1.500 -1.968) 4.764 16.640 ( 2.406 0.524 1.222) 2.748 16.684 ( 2.623 -1.409 1.650) 3.404 16.767 ( -0.286 0.740 -2.265) 2.400 16.784 ( -0.550 -0.141 -2.271) 2.341 22.987 ( -1.123 2.709 5.343) 6.095 23.075 ( -0.042 0.381 6.108) 6.120 23.134 ( -1.632 3.569 6.534) 7.622 23.354 ( 2.189 -5.059 5.680) 7.915 23.809 ( 2.512 7.742 3.559) 8.883 24.283 ( 0.123 6.684 -9.613) 11.709 24.411 ( -1.982 -6.892 -4.031) 8.227 24.937 ( -4.355 -10.253 -11.948) 16.336 25.721 ( -1.967 9.707 5.421) 11.290 26.144 ( -3.114 -3.031 0.145) 4.348 26.442 ( 2.902 6.802 3.315) 8.104 26.998 ( 5.622 -10.854 -1.276) 12.289 ======================= Grid point 123 (61/172) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -9.725 7.043 -7.605) 14.213 1.805 ( -16.401 2.328 -12.568) 20.793 2.017 ( -4.087 -5.332 -4.364) 8.011 2.258 ( -4.172 -14.255 -0.804) 14.874 2.436 ( -4.629 0.784 -3.827) 6.057 2.537 ( -0.934 -3.176 -3.060) 4.508 2.816 ( -2.259 -0.423 1.389) 2.685 2.920 ( 2.238 -3.031 3.964) 5.469 3.074 ( -5.033 11.714 11.047) 16.869 3.203 ( -2.616 0.963 7.240) 7.758 3.290 ( -2.269 -3.791 2.332) 4.996 3.552 ( -2.630 4.670 -3.481) 6.391 3.620 ( 1.798 2.647 -11.499) 11.936 3.809 ( -10.590 -9.979 5.407) 15.523 3.843 ( -10.521 0.759 -1.064) 10.602 3.908 ( 7.888 -0.743 -7.892) 11.182 3.971 ( -4.533 7.708 2.213) 9.212 4.218 ( -1.060 -2.687 -3.981) 4.919 4.349 ( -5.468 1.093 7.762) 9.557 4.472 ( -4.546 -1.020 2.380) 5.231 4.731 ( -3.964 4.625 -1.108) 6.191 4.788 ( -9.530 2.802 3.393) 10.496 4.924 ( 2.818 7.377 -3.128) 8.494 4.985 ( 0.503 6.882 3.393) 7.690 5.464 ( -4.694 1.824 4.309) 6.628 5.515 ( -7.405 0.185 -3.317) 8.116 5.616 ( -2.255 0.220 4.052) 4.642 5.753 ( -8.692 -3.974 -2.604) 9.906 5.914 ( -1.180 0.527 0.139) 1.300 5.974 ( -1.715 2.678 3.393) 4.651 6.040 ( 3.383 -0.816 -10.583) 11.140 6.069 ( 3.008 -0.599 2.734) 4.109 6.126 ( 5.649 0.178 -3.898) 6.866 6.351 ( -0.170 -7.330 1.348) 7.454 6.390 ( 5.315 -7.019 -2.709) 9.212 6.540 ( 10.347 -7.027 8.520) 15.134 7.208 ( 2.319 0.751 -0.985) 2.629 7.269 ( 4.053 -1.249 -1.881) 4.639 7.888 ( -1.392 -0.743 3.227) 3.592 7.944 ( 1.911 -3.380 3.162) 5.008 9.025 ( -1.064 9.575 -0.173) 9.636 9.359 ( 8.192 4.754 -4.627) 10.541 9.397 ( -8.003 -2.786 5.076) 9.878 9.756 ( 7.645 -8.309 3.907) 11.948 10.350 ( 1.056 2.282 0.443) 2.553 10.405 ( -0.728 -0.266 -3.120) 3.215 10.630 ( 3.355 2.860 -5.461) 7.018 10.760 ( 0.350 0.476 -5.754) 5.784 10.909 ( -1.781 1.141 -0.874) 2.289 11.058 ( -1.596 -3.214 -2.132) 4.174 11.129 ( -1.163 3.816 4.584) 6.077 11.385 ( 2.285 -5.686 3.138) 6.885 12.598 ( -0.249 1.291 1.763) 2.200 12.662 ( -0.704 -1.443 -0.310) 1.635 12.822 ( 1.486 3.906 -4.205) 5.929 12.975 ( 5.382 -2.762 -2.458) 6.529 16.692 ( 2.042 0.352 0.218) 2.084 16.704 ( -1.039 -0.017 -1.770) 2.053 16.765 ( 2.565 0.102 -1.471) 2.959 16.782 ( 3.373 -0.578 1.211) 3.630 23.031 ( -0.243 2.416 4.420) 5.043 23.133 ( -3.345 -2.014 7.402) 8.368 23.218 ( 1.751 5.639 6.859) 9.051 23.404 ( -2.195 -1.953 2.254) 3.703 23.914 ( 0.871 4.533 7.402) 8.723 24.106 ( -5.469 14.014 -10.631) 18.421 24.367 ( 2.831 -14.484 -5.668) 15.809 24.711 ( -5.871 -14.178 -12.231) 19.623 25.710 ( -5.566 9.136 2.752) 11.046 26.087 ( -6.549 -5.768 2.342) 9.036 26.558 ( 9.367 14.132 1.449) 17.016 27.128 ( 10.494 -10.705 1.770) 15.095 ======================= Grid point 124 (62/172) ======================= q-point: (-0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -13.626 12.487 -7.034) 19.776 1.501 ( -10.525 9.514 -6.029) 15.416 1.903 ( -5.434 -8.008 -1.496) 9.792 2.205 ( -2.837 -15.725 0.544) 15.989 2.332 ( -6.336 5.690 0.602) 8.537 2.474 ( -4.886 0.857 -0.735) 5.015 2.807 ( -0.943 2.562 0.372) 2.755 2.968 ( -3.449 3.468 3.075) 5.777 3.096 ( -3.189 7.010 4.337) 8.839 3.155 ( -11.007 1.024 3.984) 11.751 3.326 ( -1.033 -2.882 5.582) 6.367 3.339 ( -10.542 0.919 -9.233) 14.044 3.548 ( -11.037 -5.691 -2.294) 12.628 3.678 ( 3.486 -0.869 -1.235) 3.799 3.733 ( -6.618 -3.734 4.838) 9.008 3.901 ( 7.948 2.028 -11.122) 13.820 3.973 ( -0.711 -0.105 0.287) 0.774 4.176 ( -2.557 -4.539 1.615) 5.454 4.309 ( -6.749 1.565 2.415) 7.337 4.378 ( -10.044 0.273 2.690) 10.401 4.624 ( -11.618 5.029 2.377) 12.881 4.715 ( -3.189 3.690 1.876) 5.225 4.893 ( -0.547 10.524 -5.526) 11.899 5.032 ( -1.456 0.419 4.121) 4.391 5.276 ( -11.104 -9.113 -7.992) 16.438 5.475 ( -6.179 -2.451 -2.526) 7.111 5.520 ( -6.638 -5.239 -2.155) 8.726 5.611 ( -5.781 0.470 2.512) 6.321 5.904 ( -0.052 4.001 1.222) 4.184 5.991 ( 1.453 0.924 1.273) 2.142 6.036 ( 2.780 -1.179 -3.084) 4.316 6.093 ( -0.722 1.155 2.766) 3.083 6.156 ( -1.430 -2.761 -5.676) 6.472 6.223 ( 3.602 -1.586 -4.059) 5.654 6.635 ( 12.965 1.740 3.330) 13.499 6.877 ( 18.161 -5.692 7.716) 20.537 7.270 ( 5.524 0.761 1.244) 5.713 7.356 ( 8.049 -2.078 0.396) 8.322 7.902 ( -1.635 0.026 3.215) 3.607 7.997 ( 1.137 -4.421 2.442) 5.177 9.012 ( -0.790 6.803 0.159) 6.851 9.244 ( -8.700 -4.230 -1.717) 9.825 9.498 ( 6.529 9.935 0.991) 11.929 9.895 ( 4.844 -7.915 2.339) 9.570 10.293 ( -1.467 1.944 -3.415) 4.194 10.445 ( 0.812 -4.179 2.712) 5.048 10.632 ( -1.185 5.444 -5.320) 7.703 10.666 ( 3.105 2.891 -1.015) 4.362 10.942 ( 3.935 -2.649 -1.346) 4.931 10.988 ( -0.845 -5.690 -1.751) 6.013 11.202 ( 2.104 5.994 3.993) 7.503 11.430 ( -0.130 -4.084 1.413) 4.324 12.640 ( 1.152 0.991 3.247) 3.585 12.660 ( -0.054 -0.113 1.084) 1.091 12.789 ( 1.351 5.509 -4.477) 7.227 13.022 ( 5.103 -4.454 -3.559) 7.652 16.661 ( -0.915 0.483 -2.183) 2.416 16.697 ( 0.948 -1.367 -1.889) 2.517 16.822 ( 4.198 1.260 0.890) 4.472 16.861 ( 3.669 -0.564 1.741) 4.100 23.090 ( 1.382 1.324 4.014) 4.447 23.157 ( -2.662 -0.986 4.694) 5.486 23.303 ( -2.229 4.678 3.321) 6.155 23.368 ( -5.373 2.390 6.167) 8.522 23.885 ( -9.193 6.001 -4.800) 11.982 23.946 ( -2.696 5.008 -3.761) 6.818 24.345 ( -1.506 -15.315 -5.708) 16.414 24.501 ( -1.203 -14.185 -7.130) 15.922 25.630 ( -6.667 8.561 0.471) 10.861 25.999 ( -8.310 -7.480 2.788) 11.523 26.784 ( 17.128 18.811 1.814) 25.506 27.345 ( 13.123 -9.345 2.696) 16.334 ======================= Grid point 125 (63/172) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -4.126 23.967 6.684) 25.221 1.274 ( -11.674 16.236 -2.666) 20.174 1.831 ( -4.191 -9.462 2.576) 10.664 2.160 ( -6.630 0.094 2.215) 6.991 2.231 ( -5.506 2.271 -1.960) 6.271 2.368 ( -8.788 3.393 1.084) 9.482 2.753 ( -5.271 10.172 -2.740) 11.780 2.872 ( -10.222 12.528 -1.130) 16.209 2.997 ( -6.947 -3.043 -0.462) 7.599 3.039 ( -7.875 0.022 -3.598) 8.658 3.162 ( -0.957 -4.302 -0.312) 4.418 3.350 ( -2.671 -0.775 2.821) 3.961 3.369 ( -6.747 -4.677 -1.053) 8.277 3.734 ( 1.850 1.691 2.779) 3.743 3.793 ( 1.125 -11.796 5.644) 13.125 3.883 ( 4.991 1.460 -7.320) 8.979 4.006 ( 2.890 -4.422 3.104) 6.127 4.114 ( -8.135 -3.935 3.826) 9.813 4.229 ( -3.808 0.976 -0.656) 3.985 4.292 ( -5.053 -3.700 1.643) 6.474 4.468 ( -11.673 1.440 3.357) 12.231 4.653 ( -5.979 2.833 -2.644) 7.125 4.799 ( -5.593 2.055 -3.210) 6.768 4.976 ( -9.509 -10.836 -14.693) 20.584 5.007 ( -9.127 -3.513 4.617) 10.815 5.241 ( -3.849 -7.411 -6.133) 10.361 5.462 ( -5.333 2.508 2.316) 6.332 5.621 ( -1.569 -2.215 3.411) 4.360 5.879 ( -2.788 6.030 -2.491) 7.095 6.017 ( 3.427 0.541 -4.375) 5.583 6.032 ( 2.580 1.717 -5.719) 6.504 6.078 ( -1.227 0.187 1.988) 2.344 6.134 ( 0.349 -0.096 3.496) 3.515 6.304 ( 5.114 0.286 3.141) 6.009 6.817 ( 9.135 8.677 -2.139) 12.780 7.226 ( 15.515 -6.313 4.372) 17.311 7.400 ( 8.109 1.073 1.899) 8.397 7.510 ( 10.626 -2.127 -0.462) 10.847 7.916 ( -0.553 1.263 2.358) 2.731 8.066 ( 4.610 -4.517 2.856) 7.058 8.991 ( -2.551 2.856 -0.469) 3.857 9.075 ( -9.519 -1.354 -2.599) 9.960 9.594 ( 4.181 10.182 1.287) 11.082 9.949 ( -0.210 -4.716 1.018) 4.829 10.275 ( 2.122 1.701 -0.651) 2.796 10.433 ( -2.756 -4.055 -0.884) 4.982 10.554 ( -0.775 3.327 -2.564) 4.271 10.762 ( 3.004 -4.072 1.892) 5.402 10.966 ( 5.231 0.065 1.424) 5.422 11.059 ( 7.600 -2.708 -0.150) 8.069 11.267 ( 0.658 4.815 2.735) 5.577 11.414 ( -2.399 -1.946 -0.542) 3.137 12.646 ( -0.674 2.590 -1.529) 3.082 12.716 ( 1.574 -0.475 3.310) 3.696 12.780 ( 2.012 5.975 -0.510) 6.325 13.054 ( 4.275 -5.594 -2.581) 7.499 16.631 ( -0.260 0.724 -1.164) 1.396 16.694 ( 1.136 -2.355 -1.235) 2.891 16.894 ( 3.455 1.484 0.799) 3.844 16.928 ( 2.566 -0.198 1.174) 2.829 23.146 ( -2.871 2.672 1.504) 4.201 23.167 ( 2.983 1.667 -0.723) 3.492 23.237 ( -5.239 3.596 4.066) 7.544 23.409 ( -5.939 -0.730 11.475) 12.941 23.684 ( -10.503 -0.826 -3.790) 11.197 23.759 ( -8.553 -2.135 -12.508) 15.302 24.150 ( -10.160 -3.865 -1.834) 11.024 24.550 ( 6.906 -12.994 -0.173) 14.716 25.534 ( -5.398 8.392 -0.215) 9.980 25.907 ( -7.060 -8.161 2.206) 11.014 27.111 ( 21.673 17.428 0.760) 27.822 27.563 ( 12.141 -6.910 -0.829) 13.994 ======================= Grid point 126 (64/172) ======================= q-point: (-0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -9.073 21.164 3.564) 23.301 1.304 ( -1.596 25.728 8.949) 27.287 1.843 ( -1.039 -11.639 6.262) 13.258 2.028 ( -9.614 25.155 -0.098) 26.929 2.130 ( -3.908 -4.750 -4.295) 7.503 2.253 ( -6.166 1.866 2.386) 6.870 2.632 ( -5.171 7.796 0.843) 9.393 2.694 ( -5.150 13.151 -5.802) 15.269 2.920 ( -5.762 -1.405 5.544) 8.118 2.974 ( 1.834 -2.268 -4.335) 5.225 3.135 ( 1.155 -1.535 -3.768) 4.229 3.291 ( -3.091 -1.501 0.233) 3.444 3.337 ( -2.673 -5.140 1.729) 6.045 3.767 ( -1.205 -4.378 -2.164) 5.030 3.805 ( -0.945 -0.390 0.085) 1.026 3.900 ( -0.520 -2.151 1.189) 2.512 4.072 ( -3.594 -7.302 5.540) 9.845 4.081 ( -2.865 -9.299 2.708) 10.100 4.200 ( -6.490 -4.623 0.664) 7.996 4.231 ( 3.090 0.518 0.215) 3.140 4.397 ( 0.059 -0.544 3.203) 3.249 4.497 ( -6.774 2.605 -7.295) 10.290 4.560 ( -9.838 -11.964 -0.194) 15.491 4.778 ( -1.922 -6.249 -4.319) 7.836 4.993 ( -1.260 1.218 5.756) 6.017 5.177 ( -3.703 -4.172 1.435) 5.760 5.431 ( -1.454 1.913 0.150) 2.407 5.585 ( -2.575 -4.896 -3.095) 6.338 5.835 ( -0.853 8.040 1.571) 8.237 5.975 ( 2.714 3.576 -7.924) 9.107 6.010 ( 2.897 0.628 -5.465) 6.217 6.101 ( 0.454 -2.469 -0.188) 2.518 6.193 ( -0.504 4.360 5.967) 7.407 6.422 ( 1.681 -1.270 6.888) 7.203 6.881 ( 5.440 12.720 -5.261) 14.801 7.416 ( 5.415 -9.275 -0.183) 10.742 7.537 ( 6.421 0.382 1.371) 6.577 7.630 ( 7.142 -2.030 -3.365) 8.152 7.937 ( 0.944 5.293 -1.062) 5.481 8.187 ( 8.084 -5.046 -3.195) 10.051 8.890 ( -5.870 0.024 -3.971) 7.087 8.923 ( -6.165 -1.366 -1.357) 6.459 9.666 ( 1.677 9.552 3.299) 10.244 9.943 ( -1.630 -1.650 1.751) 2.906 10.307 ( 1.231 1.634 0.356) 2.077 10.386 ( -0.778 -3.483 -2.003) 4.092 10.537 ( 0.618 0.815 -0.211) 1.044 10.782 ( 0.436 -8.218 -0.589) 8.251 11.134 ( 7.479 2.242 5.588) 9.602 11.164 ( 4.388 1.631 -0.688) 4.731 11.294 ( 0.505 1.642 2.157) 2.757 11.353 ( -3.602 -1.034 -1.201) 3.935 12.607 ( -0.048 3.561 -3.169) 4.767 12.738 ( -0.339 -2.026 -1.786) 2.722 12.834 ( 1.917 6.814 3.413) 7.859 13.119 ( 3.640 -5.442 3.670) 7.505 16.627 ( 0.310 0.900 0.410) 1.037 16.704 ( 1.071 -2.834 0.084) 3.031 16.941 ( 1.773 1.381 0.073) 2.249 16.964 ( 0.895 0.126 0.321) 0.959 23.074 ( -2.336 5.964 -3.144) 7.135 23.177 ( 0.345 1.505 -1.472) 2.133 23.278 ( -0.083 -1.436 0.674) 1.588 23.370 ( -14.897 -5.964 -2.515) 16.243 23.454 ( -3.288 1.107 5.863) 6.812 23.595 ( -7.314 -5.592 9.368) 13.135 24.054 ( -2.378 10.471 0.350) 10.743 24.644 ( 3.816 -14.554 1.327) 15.104 25.468 ( -2.770 8.133 0.204) 8.594 25.836 ( -4.607 -8.233 1.103) 9.499 27.411 ( 17.264 10.126 -4.307) 20.473 27.654 ( 6.285 -2.438 -9.841) 11.928 ======================= Grid point 127 (65/172) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -0.097 -18.731 7.610) 20.218 1.553 ( -0.097 18.731 7.610) 20.218 1.755 ( -2.739 -18.603 0.065) 18.804 1.755 ( -2.739 18.603 0.066) 18.804 2.204 ( -0.652 -10.897 -7.726) 13.374 2.204 ( -0.652 10.897 -7.726) 13.374 2.748 ( -0.202 -4.196 1.241) 4.380 2.748 ( -0.202 4.196 1.241) 4.380 3.031 ( 3.042 -1.549 -0.774) 3.501 3.031 ( 3.042 1.549 -0.774) 3.501 3.209 ( -0.804 -5.416 7.327) 9.147 3.209 ( -0.804 5.416 7.327) 9.147 3.319 ( -3.002 -16.988 -6.127) 18.306 3.319 ( -3.002 16.988 -6.127) 18.306 3.808 ( -0.458 -3.877 -2.603) 4.692 3.808 ( -0.458 3.877 -2.603) 4.692 4.013 ( -3.639 -2.964 6.205) 7.780 4.013 ( -3.639 2.964 6.205) 7.780 4.233 ( 5.455 -5.775 2.297) 8.269 4.233 ( 5.455 5.775 2.297) 8.269 4.372 ( -3.469 -2.643 4.855) 6.526 4.372 ( -3.469 2.643 4.855) 6.526 4.683 ( 9.633 -6.231 4.501) 12.324 4.683 ( 9.633 6.231 4.501) 12.324 5.075 ( -1.860 -2.651 1.159) 3.439 5.075 ( -1.860 2.651 1.159) 3.439 5.422 ( -1.042 -3.828 -4.672) 6.129 5.422 ( -1.042 3.828 -4.672) 6.129 5.978 ( 1.528 -5.696 -3.978) 7.114 5.978 ( 1.528 5.696 -3.978) 7.114 6.013 ( 1.580 -1.585 -0.528) 2.299 6.013 ( 1.580 1.585 -0.528) 2.299 6.384 ( -2.643 -7.347 6.035) 9.869 6.384 ( -2.643 7.347 6.035) 9.869 7.156 ( -0.463 -14.079 -3.869) 14.608 7.156 ( -0.463 14.079 -3.869) 14.608 7.631 ( 1.801 -1.415 -1.930) 2.995 7.631 ( 1.801 1.415 -1.930) 2.995 8.001 ( -3.784 -6.718 -11.689) 14.003 8.001 ( -3.784 6.718 -11.689) 14.003 8.831 ( 1.922 -1.100 -1.309) 2.572 8.831 ( 1.922 1.100 -1.309) 2.572 9.873 ( -1.090 -6.471 2.446) 7.003 9.873 ( -1.090 6.471 2.446) 7.003 10.320 ( -0.048 -0.686 -0.983) 1.200 10.320 ( -0.048 0.686 -0.983) 1.200 10.642 ( 1.526 -6.175 1.465) 6.527 10.642 ( 1.526 6.175 1.465) 6.527 11.209 ( -4.293 -3.213 -1.420) 5.547 11.209 ( -4.293 3.213 -1.420) 5.547 11.336 ( 2.231 -2.414 2.962) 4.425 11.336 ( 2.231 2.414 2.962) 4.425 12.637 ( -0.050 -2.544 -3.480) 4.311 12.637 ( -0.050 2.544 -3.480) 4.311 13.080 ( 0.346 -8.104 6.490) 10.388 13.080 ( 0.346 8.104 6.490) 10.388 16.678 ( 0.685 -1.945 1.779) 2.723 16.678 ( 0.685 1.945 1.779) 2.723 16.963 ( -0.663 -0.296 -0.750) 1.044 16.963 ( -0.663 0.296 -0.750) 1.044 23.079 ( -1.551 -2.797 -2.577) 4.107 23.079 ( -1.551 2.797 -2.577) 4.107 23.241 ( -1.453 -2.906 -0.994) 3.398 23.241 ( -1.453 2.906 -0.994) 3.398 23.607 ( 2.914 -5.362 12.986) 14.348 23.607 ( 2.914 5.362 12.986) 14.348 24.354 ( 0.386 -16.545 0.157) 16.551 24.354 ( 0.386 16.545 0.157) 16.551 25.624 ( -0.670 -8.569 0.554) 8.613 25.624 ( -0.670 8.569 0.554) 8.613 27.551 ( 0.658 -2.644 -11.078) 11.409 27.551 ( 0.658 2.644 -11.078) 11.409 ======================= Grid point 129 (66/172) ======================= q-point: ( 0.08 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.270 -14.975 7.351) 16.730 1.655 ( 1.270 14.975 7.351) 16.730 1.811 ( 5.516 -17.421 7.324) 19.687 1.811 ( 5.516 17.421 7.324) 19.687 2.146 ( 5.383 -11.467 -6.750) 14.354 2.146 ( 5.383 11.467 -6.750) 14.354 2.770 ( 2.275 -5.212 -1.720) 5.942 2.770 ( 2.275 5.212 -1.720) 5.942 3.052 ( 0.777 -8.846 -4.374) 9.899 3.052 ( 0.777 8.846 -4.374) 9.899 3.210 ( -0.710 -10.332 -3.417) 10.905 3.210 ( -0.710 10.332 -3.417) 10.905 3.297 ( 0.495 -3.063 8.302) 8.863 3.297 ( 0.495 3.063 8.302) 8.863 3.809 ( 3.236 -4.102 -2.358) 5.732 3.809 ( 3.236 4.102 -2.358) 5.732 4.072 ( 3.913 -5.566 3.992) 7.888 4.072 ( 3.913 5.566 3.992) 7.888 4.263 ( -0.225 -1.542 -0.636) 1.683 4.263 ( -0.225 1.542 -0.636) 1.683 4.518 ( 4.738 -6.179 11.188) 13.631 4.518 ( 4.738 6.179 11.188) 13.631 4.906 ( 11.394 -2.607 2.688) 11.993 4.906 ( 11.394 2.607 2.688) 11.993 5.081 ( 3.758 -3.739 -1.160) 5.426 5.081 ( 3.758 3.739 -1.160) 5.426 5.365 ( -0.319 -3.343 -1.832) 3.825 5.365 ( -0.319 3.343 -1.832) 3.825 5.956 ( 0.656 -4.373 -2.751) 5.208 5.956 ( 0.656 4.373 -2.751) 5.208 6.023 ( -0.278 -3.151 -0.107) 3.165 6.023 ( -0.278 3.151 -0.107) 3.165 6.407 ( -2.655 -7.213 5.654) 9.542 6.407 ( -2.655 7.213 5.654) 9.542 7.042 ( -7.485 -13.263 -7.323) 16.899 7.042 ( -7.485 13.263 -7.323) 16.899 7.512 ( -8.770 -2.311 -8.198) 12.225 7.512 ( -8.770 2.311 -8.198) 12.225 7.836 ( 0.319 -4.695 -5.603) 7.317 7.836 ( 0.319 4.695 -5.603) 7.317 8.892 ( 7.090 -1.121 -2.069) 7.471 8.892 ( 7.090 1.121 -2.069) 7.471 9.867 ( -3.270 -6.469 1.777) 7.463 9.867 ( -3.270 6.469 1.777) 7.463 10.317 ( 1.347 -2.492 -0.640) 2.905 10.317 ( 1.347 2.492 -0.640) 2.905 10.699 ( 2.150 -5.140 3.021) 6.338 10.699 ( 2.150 5.140 3.021) 6.338 11.114 ( -5.465 -2.542 -0.499) 6.048 11.114 ( -5.465 2.542 -0.499) 6.048 11.370 ( -1.931 -2.705 1.880) 3.818 11.370 ( -1.931 2.705 1.880) 3.818 12.602 ( 0.421 -0.585 -2.826) 2.917 12.602 ( 0.421 0.585 -2.826) 2.917 13.134 ( -2.944 -7.259 5.755) 9.720 13.134 ( -2.944 7.259 5.755) 9.720 16.715 ( 0.399 -1.639 2.673) 3.161 16.715 ( 0.399 1.639 2.673) 3.161 16.925 ( -2.421 -0.203 -1.427) 2.818 16.925 ( -2.421 0.203 -1.427) 2.818 23.060 ( 0.376 -1.509 -0.897) 1.796 23.060 ( 0.376 1.509 -0.897) 1.796 23.214 ( 0.500 -2.408 -1.807) 3.052 23.214 ( 0.500 2.408 -1.807) 3.052 23.853 ( 7.871 -11.070 12.259) 18.297 23.853 ( 7.871 11.070 12.259) 18.297 24.351 ( -0.640 -16.303 0.345) 16.319 24.351 ( -0.640 16.303 0.345) 16.319 25.643 ( 2.147 -7.336 0.519) 7.661 25.643 ( 2.147 7.336 0.519) 7.661 27.358 ( -6.453 -6.498 -12.006) 15.100 27.358 ( -6.453 6.498 -12.006) 15.100 ======================= Grid point 131 (67/172) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 5.893 -14.343 8.129) 17.508 1.803 ( 5.893 14.343 8.129) 17.508 2.027 ( 5.539 -14.677 11.577) 19.496 2.027 ( 5.539 14.677 11.577) 19.496 2.226 ( 9.640 -7.181 0.115) 12.021 2.226 ( 9.640 7.181 0.115) 12.021 2.778 ( 4.337 -5.783 -4.569) 8.551 2.778 ( 4.337 5.783 -4.569) 8.551 2.943 ( 0.014 -13.075 -10.808) 16.964 2.943 ( 0.014 13.075 -10.808) 16.964 3.214 ( -0.512 -8.656 3.237) 9.256 3.214 ( -0.512 8.656 3.237) 9.256 3.460 ( 8.386 -2.325 6.889) 11.099 3.460 ( 8.386 2.325 6.889) 11.099 3.807 ( 1.256 -2.646 -4.242) 5.155 3.807 ( 1.256 2.646 -4.242) 5.155 4.178 ( 4.092 -4.644 -2.571) 6.702 4.178 ( 4.092 4.644 -2.571) 6.702 4.289 ( 3.775 -0.295 3.694) 5.290 4.289 ( 3.775 0.295 3.694) 5.290 4.648 ( -0.005 -1.166 3.914) 4.084 4.648 ( -0.005 1.166 3.914) 4.084 5.107 ( 12.330 -3.620 -2.737) 13.139 5.107 ( 12.330 3.620 -2.737) 13.139 5.152 ( 7.183 -10.816 0.480) 12.993 5.152 ( 7.183 10.816 0.480) 12.993 5.393 ( 0.735 -6.245 5.602) 8.422 5.393 ( 0.735 6.245 5.602) 8.422 5.931 ( 0.124 -2.307 -2.339) 3.287 5.931 ( 0.124 2.307 -2.339) 3.287 6.018 ( 0.962 -4.513 -0.207) 4.619 6.018 ( 0.962 4.513 -0.207) 4.619 6.436 ( -2.517 -5.277 4.061) 7.119 6.436 ( -2.517 5.277 4.061) 7.119 6.707 ( -17.475 -8.096 -12.135) 22.764 6.707 ( -17.475 8.096 -12.135) 22.764 7.350 ( -3.319 -2.808 -1.222) 4.516 7.350 ( -3.319 2.808 -1.222) 4.516 7.816 ( 1.563 -2.964 -2.829) 4.385 7.816 ( 1.563 2.964 -2.829) 4.385 8.977 ( 7.621 -1.605 -3.211) 8.424 8.977 ( 7.621 1.605 -3.211) 8.424 9.807 ( -6.518 -5.490 1.047) 8.586 9.807 ( -6.518 5.490 1.047) 8.586 10.356 ( 3.259 -0.886 1.053) 3.538 10.356 ( 3.259 0.886 1.053) 3.538 10.769 ( 2.417 -2.838 1.888) 4.179 10.769 ( 2.417 2.838 1.888) 4.179 11.040 ( -4.486 -1.076 1.305) 4.795 11.040 ( -4.486 1.076 1.305) 4.795 11.329 ( -4.732 -4.201 0.814) 6.379 11.329 ( -4.732 4.201 0.814) 6.379 12.586 ( 0.948 -1.385 -1.485) 2.241 12.586 ( 0.948 1.385 -1.485) 2.241 13.127 ( -5.078 -4.949 3.779) 8.035 13.127 ( -5.078 4.949 3.779) 8.035 16.744 ( -0.630 -0.886 1.855) 2.151 16.744 ( -0.630 0.886 1.855) 2.151 16.864 ( -2.971 -0.183 -0.838) 3.092 16.864 ( -2.971 0.183 -0.838) 3.092 23.042 ( -2.033 -0.216 -0.118) 2.047 23.042 ( -2.033 0.216 -0.118) 2.047 23.211 ( 2.014 -3.627 -2.579) 4.885 23.211 ( 2.014 3.627 -2.579) 4.885 24.074 ( 4.300 -16.928 4.992) 18.164 24.074 ( 4.300 16.928 4.992) 18.164 24.387 ( 4.499 -15.502 3.990) 16.627 24.387 ( 4.499 15.502 3.990) 16.627 25.696 ( 3.848 -7.136 0.142) 8.108 25.696 ( 3.848 7.136 0.142) 8.108 27.108 ( -8.626 -9.761 -8.869) 15.759 27.108 ( -8.626 9.761 -8.869) 15.759 ======================= Grid point 133 (68/172) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 7.902 -6.516 6.706) 12.242 2.006 ( 7.902 6.516 6.706) 12.242 2.209 ( -1.165 -6.348 12.109) 13.721 2.209 ( -1.165 6.348 12.109) 13.721 2.412 ( 10.883 -2.389 2.605) 11.443 2.412 ( 10.883 2.389 2.605) 11.443 2.794 ( 1.446 -3.317 -3.984) 5.382 2.794 ( 1.446 3.317 -3.984) 5.382 2.882 ( 9.968 -14.254 -7.267) 18.851 2.882 ( 9.968 14.254 -7.267) 18.851 3.268 ( 1.388 -10.280 4.714) 11.394 3.268 ( 1.388 10.280 4.714) 11.394 3.646 ( 5.825 -1.653 -1.573) 6.256 3.646 ( 5.825 1.653 -1.573) 6.256 3.803 ( 6.498 -0.177 0.408) 6.514 3.803 ( 6.498 0.177 0.408) 6.514 4.115 ( -1.200 -3.479 -8.998) 9.722 4.115 ( -1.200 3.479 -8.998) 9.722 4.435 ( 5.181 -1.618 5.589) 7.791 4.435 ( 5.181 1.618 5.589) 7.791 4.656 ( -0.542 -0.443 -0.440) 0.826 4.656 ( -0.542 0.443 -0.440) 0.826 5.154 ( 1.078 -2.693 -0.741) 2.994 5.154 ( 1.078 2.693 -0.741) 2.994 5.305 ( 7.987 -6.995 -3.630) 11.221 5.305 ( 7.987 6.995 -3.630) 11.221 5.517 ( 5.764 -8.526 6.485) 12.164 5.517 ( 5.764 8.526 6.485) 12.164 5.897 ( -0.210 -0.960 -4.652) 4.754 5.897 ( -0.210 0.960 -4.652) 4.754 6.067 ( 4.702 -4.091 0.779) 6.281 6.067 ( 4.702 4.091 0.779) 6.281 6.211 ( -14.714 -6.784 -10.341) 19.221 6.211 ( -14.714 6.784 -10.341) 19.221 6.533 ( -3.437 -1.888 6.361) 7.472 6.533 ( -3.437 1.888 6.361) 7.472 7.340 ( -0.955 -2.771 3.633) 4.668 7.340 ( -0.955 2.771 3.633) 4.668 7.796 ( 0.150 -1.777 -3.022) 3.509 7.796 ( 0.150 1.777 -3.022) 3.509 9.050 ( 7.195 -2.193 -3.919) 8.482 9.050 ( 7.195 2.193 -3.919) 8.482 9.700 ( -8.863 -3.383 1.707) 9.640 9.700 ( -8.863 3.383 1.707) 9.640 10.432 ( 3.278 -3.604 2.505) 5.478 10.432 ( 3.278 3.604 2.505) 5.478 10.789 ( 0.458 -3.134 -3.080) 4.418 10.789 ( 0.458 3.134 -3.080) 4.418 11.015 ( -1.896 -3.101 2.796) 4.586 11.015 ( -1.896 3.101 2.796) 4.586 11.268 ( -4.229 -4.943 1.778) 6.744 11.268 ( -4.229 4.943 1.778) 6.744 12.597 ( 1.665 -2.644 -0.101) 3.126 12.597 ( 1.665 2.644 -0.101) 3.126 13.072 ( -5.902 -2.696 1.581) 6.678 13.072 ( -5.902 2.696 1.581) 6.678 16.718 ( -2.920 -0.606 -1.351) 3.274 16.718 ( -2.920 0.606 -1.351) 3.274 16.838 ( -1.319 -1.021 1.851) 2.492 16.838 ( -1.319 1.021 1.851) 2.492 23.000 ( -2.880 -0.695 -0.122) 2.965 23.000 ( -2.880 0.695 -0.122) 2.965 23.201 ( 0.102 -4.993 -1.882) 5.337 23.201 ( 0.102 4.993 -1.882) 5.337 24.096 ( -1.606 -18.240 -1.423) 18.365 24.096 ( -1.606 18.240 -1.423) 18.365 24.587 ( 10.616 -16.524 6.192) 20.594 24.587 ( 10.616 16.524 6.192) 20.594 25.754 ( 3.660 -9.379 -0.581) 10.085 25.754 ( 3.660 9.379 -0.581) 10.085 26.902 ( -7.244 -12.123 -4.514) 14.826 26.902 ( -7.244 12.123 -4.514) 14.826 ======================= Grid point 135 (69/172) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.188 -1.350 4.283) 4.494 2.151 ( 0.188 1.350 4.283) 4.494 2.324 ( 2.811 -2.805 8.489) 9.372 2.324 ( 2.811 2.805 8.489) 9.372 2.590 ( 8.168 -5.467 1.275) 9.911 2.590 ( 8.168 5.467 1.275) 9.911 2.775 ( 2.238 -1.802 -1.623) 3.300 2.775 ( 2.238 1.802 -1.623) 3.300 3.021 ( 11.361 -11.231 -1.203) 16.021 3.021 ( 11.361 11.231 -1.203) 16.021 3.327 ( 0.502 -9.980 -0.758) 10.021 3.327 ( 0.502 9.980 -0.758) 10.021 3.635 ( 1.506 -1.375 -2.925) 3.566 3.635 ( 1.506 1.375 -2.925) 3.566 3.968 ( 3.858 -6.911 -6.448) 10.209 3.968 ( 3.858 6.911 -6.448) 10.209 4.012 ( 6.785 -3.748 1.266) 7.854 4.012 ( 6.785 3.748 1.266) 7.854 4.527 ( -4.389 -0.990 6.007) 7.505 4.527 ( -4.389 0.990 6.007) 7.505 4.663 ( 6.395 -4.092 -3.147) 8.219 4.663 ( 6.395 4.092 -3.147) 8.219 5.143 ( -4.150 -1.540 2.611) 5.139 5.143 ( -4.150 1.540 2.611) 5.139 5.295 ( -0.225 -11.145 -8.095) 13.776 5.295 ( -0.225 11.145 -8.095) 13.776 5.619 ( 4.490 -10.289 -4.058) 11.937 5.619 ( 4.490 10.289 -4.058) 11.937 5.836 ( 0.120 -2.423 0.027) 2.426 5.836 ( 0.120 2.423 0.027) 2.426 6.035 ( -2.198 -6.937 1.088) 7.357 6.035 ( -2.198 6.937 1.088) 7.357 6.154 ( 5.051 -2.473 -0.254) 5.630 6.154 ( 5.051 2.473 -0.254) 5.630 6.561 ( -2.392 -4.213 4.957) 6.931 6.561 ( -2.392 4.213 4.957) 6.931 7.381 ( -0.495 -4.179 4.253) 5.984 7.381 ( -0.495 4.179 4.253) 5.984 7.751 ( -1.141 -2.664 -2.587) 3.885 7.751 ( -1.141 2.664 -2.587) 3.885 9.109 ( 6.607 -1.961 -3.977) 7.957 9.109 ( 6.607 1.961 -3.977) 7.957 9.584 ( -9.457 -2.363 3.092) 10.226 9.584 ( -9.457 2.363 3.092) 10.226 10.498 ( 0.723 -8.119 2.552) 8.541 10.498 ( 0.723 8.119 2.552) 8.541 10.728 ( -0.565 -3.276 -5.266) 6.227 10.728 ( -0.565 3.276 -5.266) 6.227 11.025 ( 0.756 -2.331 -0.207) 2.459 11.025 ( 0.756 2.331 -0.207) 2.459 11.255 ( -2.415 -3.742 4.290) 6.184 11.255 ( -2.415 3.742 4.290) 6.184 12.632 ( 2.239 -2.719 0.668) 3.585 12.632 ( 2.239 2.719 0.668) 3.585 12.988 ( -5.600 -2.104 -0.353) 5.992 12.988 ( -5.600 2.104 -0.353) 5.992 16.652 ( -2.659 -0.706 -1.580) 3.173 16.652 ( -2.659 0.706 -1.580) 3.173 16.844 ( -1.011 -0.977 1.564) 2.103 16.844 ( -1.011 0.977 1.564) 2.103 22.959 ( -2.389 -1.415 0.486) 2.819 22.959 ( -2.389 1.415 0.486) 2.819 23.177 ( -1.750 -3.914 0.288) 4.298 23.177 ( -1.750 3.914 0.288) 4.298 24.042 ( -1.407 -17.628 -2.668) 17.884 24.042 ( -1.407 17.628 -2.668) 17.884 24.803 ( 9.163 -17.114 2.675) 19.596 24.803 ( 9.163 17.114 2.675) 19.596 25.794 ( 2.269 -12.832 -0.120) 13.031 25.794 ( 2.269 12.832 -0.120) 13.031 26.777 ( -4.509 -14.627 -1.540) 15.384 26.777 ( -4.509 14.627 -1.540) 15.384 ======================= Grid point 137 (70/172) ======================= q-point: ( 0.42 -0.50 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -3.467 -4.991 1.566) 6.275 2.147 ( -3.467 4.991 1.566) 6.275 2.455 ( 1.390 -0.941 4.566) 4.865 2.455 ( 1.390 0.941 4.566) 4.865 2.687 ( 4.901 -6.867 -1.168) 8.517 2.687 ( 4.901 6.867 -1.168) 8.517 2.822 ( 1.426 -4.517 2.026) 5.152 2.822 ( 1.426 4.517 2.026) 5.152 3.148 ( 3.648 -8.240 -3.280) 9.590 3.148 ( 3.648 8.240 -3.280) 9.590 3.266 ( 2.477 -5.720 -4.013) 7.414 3.266 ( 2.477 5.720 -4.013) 7.414 3.650 ( 2.459 -3.492 0.534) 4.304 3.650 ( 2.459 3.492 0.534) 4.304 3.933 ( 4.365 -5.168 -7.401) 10.027 3.933 ( 4.365 5.168 -7.401) 10.027 4.169 ( 5.983 -8.212 1.742) 10.309 4.169 ( 5.983 8.212 1.742) 10.309 4.469 ( -7.531 -1.899 2.836) 8.269 4.469 ( -7.531 1.899 2.836) 8.269 4.755 ( 5.717 -7.105 0.411) 9.129 4.755 ( 5.717 7.105 0.411) 9.129 5.072 ( -5.261 -5.337 0.968) 7.556 5.072 ( -5.261 5.337 0.968) 7.556 5.233 ( 0.980 -1.617 0.461) 1.946 5.233 ( 0.980 1.617 0.461) 1.946 5.654 ( 5.325 -4.887 -2.785) 7.746 5.654 ( 5.325 4.887 -2.785) 7.746 5.862 ( 0.621 -3.026 1.790) 3.570 5.862 ( 0.621 3.026 1.790) 3.570 6.048 ( -1.154 -6.419 2.008) 6.824 6.048 ( -1.154 6.419 2.008) 6.824 6.204 ( 3.047 -3.321 -1.847) 4.871 6.204 ( 3.047 3.321 -1.847) 4.871 6.565 ( -2.277 -10.208 1.370) 10.549 6.565 ( -2.277 10.208 1.370) 10.549 7.396 ( -1.421 -5.551 -0.554) 5.757 7.396 ( -1.421 5.551 -0.554) 5.757 7.724 ( -0.435 -4.926 1.243) 5.099 7.724 ( -0.435 4.926 1.243) 5.099 9.167 ( 6.553 -1.394 -3.065) 7.368 9.167 ( 6.553 1.394 -3.065) 7.368 9.484 ( -8.647 -4.897 3.814) 10.644 9.484 ( -8.647 4.897 3.814) 10.644 10.503 ( -1.661 -10.375 -0.194) 10.509 10.503 ( -1.661 10.375 -0.194) 10.509 10.682 ( 1.267 -2.696 -3.139) 4.327 10.682 ( 1.267 2.696 -3.139) 4.327 11.037 ( 2.826 -3.058 -1.961) 4.602 11.037 ( 2.826 3.058 -1.961) 4.602 11.265 ( -3.325 -1.694 3.694) 5.251 11.265 ( -3.325 1.694 3.694) 5.251 12.674 ( 1.717 -1.404 0.479) 2.269 12.674 ( 1.717 1.404 0.479) 2.269 12.901 ( -3.568 -2.814 -1.462) 4.774 12.901 ( -3.568 2.814 -1.462) 4.774 16.609 ( -0.942 -0.655 -0.558) 1.275 16.609 ( -0.942 0.655 -0.558) 1.275 16.838 ( -1.102 -0.819 0.195) 1.387 16.838 ( -1.102 0.819 0.195) 1.387 22.948 ( -1.231 -2.110 2.816) 3.728 22.948 ( -1.231 2.110 2.816) 3.728 23.162 ( -2.032 -2.067 2.524) 3.843 23.162 ( -2.032 2.067 2.524) 3.843 24.002 ( 0.411 -16.529 -2.404) 16.708 24.002 ( 0.411 16.529 -2.404) 16.708 24.907 ( 4.274 -17.223 -3.401) 18.068 24.907 ( 4.274 17.223 -3.401) 18.068 25.835 ( 1.257 -14.957 2.892) 15.285 25.835 ( 1.257 14.957 2.892) 15.285 26.714 ( -1.966 -16.374 -0.990) 16.521 26.714 ( -1.966 16.374 -0.990) 16.521 ======================= Grid point 139 (71/172) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -3.511 -6.312 -0.322) 7.230 2.100 ( -3.511 6.312 -0.322) 7.230 2.436 ( -6.059 -0.580 -2.159) 6.458 2.436 ( -6.059 0.580 -2.159) 6.458 2.708 ( -1.128 -2.994 -4.908) 5.859 2.708 ( -1.128 2.994 -4.908) 5.859 2.809 ( -1.436 -3.017 -0.000) 3.341 2.809 ( -1.436 3.017 -0.000) 3.341 3.065 ( 0.226 -4.288 -5.210) 6.752 3.065 ( 0.226 4.288 -5.210) 6.752 3.393 ( 6.192 -7.291 4.708) 10.662 3.393 ( 6.192 7.291 4.708) 10.662 3.734 ( 2.617 -4.065 4.820) 6.827 3.734 ( 2.617 4.065 4.820) 6.827 3.887 ( 4.395 -4.635 -9.177) 11.181 3.887 ( 4.395 4.635 -9.177) 11.181 4.232 ( 2.638 -11.115 -1.071) 11.474 4.232 ( 2.638 11.115 -1.071) 11.474 4.387 ( -8.222 -3.905 3.810) 9.867 4.387 ( -8.222 3.905 3.810) 9.867 4.833 ( 1.575 -5.457 2.260) 6.113 4.833 ( 1.575 5.457 2.260) 6.113 5.042 ( -0.661 -5.017 -0.234) 5.066 5.042 ( -0.661 5.017 -0.234) 5.066 5.337 ( 4.564 -6.037 9.710) 12.311 5.337 ( 4.564 6.037 9.710) 12.311 5.707 ( 4.482 -1.870 -0.892) 4.938 5.707 ( 4.482 1.870 -0.892) 4.938 5.891 ( -0.814 -2.147 2.102) 3.114 5.891 ( -0.814 2.147 2.102) 3.114 6.016 ( -3.524 -3.411 -0.341) 4.916 6.016 ( -3.524 3.411 -0.341) 4.916 6.212 ( 1.748 -4.260 -2.495) 5.237 6.212 ( 1.748 4.260 -2.495) 5.237 6.508 ( -4.342 -12.297 -2.684) 13.315 6.508 ( -4.342 12.297 -2.684) 13.315 7.327 ( -2.189 -3.575 -4.783) 6.360 7.327 ( -2.189 3.575 -4.783) 6.360 7.769 ( 1.214 -3.361 4.359) 5.637 7.769 ( 1.214 3.361 4.359) 5.637 9.245 ( 7.170 -1.898 -2.166) 7.727 9.245 ( 7.170 1.898 -2.166) 7.727 9.408 ( -6.816 -4.911 4.084) 9.341 9.408 ( -6.816 4.911 4.084) 9.341 10.465 ( -0.795 -8.290 -2.232) 8.622 10.465 ( -0.795 8.290 -2.232) 8.622 10.679 ( 1.990 -1.887 -2.143) 3.480 10.679 ( 1.990 1.887 -2.143) 3.480 11.072 ( 4.269 -4.886 -1.530) 6.666 11.072 ( 4.269 4.886 -1.530) 6.666 11.226 ( -5.997 -0.417 1.943) 6.317 11.226 ( -5.997 0.417 1.943) 6.317 12.679 ( -1.103 -1.011 -0.635) 1.625 12.679 ( -1.103 1.011 -0.635) 1.625 12.863 ( 1.071 -2.832 -1.471) 3.366 12.863 ( 1.071 2.832 -1.471) 3.366 16.612 ( 1.151 -0.838 0.713) 1.592 16.612 ( 1.151 0.838 0.713) 1.592 16.814 ( -1.045 -0.632 -1.288) 1.775 16.814 ( -1.045 0.632 -1.288) 1.775 22.986 ( -0.866 -2.432 5.739) 6.293 22.986 ( -0.866 2.432 5.739) 6.293 23.179 ( -0.564 -3.550 3.999) 5.377 23.179 ( -0.564 3.550 3.999) 5.377 24.001 ( 2.302 -15.472 -1.350) 15.701 24.001 ( 2.302 15.472 -1.350) 15.701 24.853 ( -1.237 -16.393 -9.191) 18.834 24.853 ( -1.237 16.393 -9.191) 18.834 25.900 ( -0.272 -14.102 5.885) 15.283 25.900 ( -0.272 14.102 5.885) 15.283 26.689 ( 0.938 -16.454 -1.531) 16.552 26.689 ( 0.938 16.454 -1.531) 16.552 ======================= Grid point 141 (72/172) ======================= q-point: (-0.42 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -5.055 -7.356 -3.787) 9.695 2.017 ( -5.055 7.356 -3.787) 9.695 2.225 ( -11.732 -3.004 -7.666) 14.333 2.225 ( -11.732 3.004 -7.666) 14.333 2.562 ( -2.651 -3.037 -8.284) 9.213 2.562 ( -2.651 3.037 -8.284) 9.213 2.829 ( 1.196 -2.894 0.639) 3.196 2.829 ( 1.196 2.894 0.639) 3.196 3.080 ( 0.519 -5.203 6.033) 7.983 3.080 ( 0.519 5.203 6.033) 7.983 3.471 ( -2.646 -11.357 2.998) 12.040 3.471 ( -2.646 11.357 2.998) 12.040 3.794 ( 2.590 -3.219 -0.466) 4.158 3.794 ( 2.590 3.219 -0.466) 4.158 3.881 ( 1.044 -5.121 -3.420) 6.246 3.881 ( 1.044 5.121 -3.420) 6.246 4.217 ( -3.387 -6.154 -2.474) 7.447 4.217 ( -3.387 6.154 -2.474) 7.447 4.357 ( -2.041 -5.078 7.470) 9.260 4.357 ( -2.041 5.078 7.470) 9.260 4.833 ( -3.797 -1.896 1.309) 4.441 4.833 ( -3.797 1.896 1.309) 4.441 5.043 ( 1.988 -3.673 -0.576) 4.216 5.043 ( 1.988 3.673 -0.576) 4.216 5.521 ( 1.476 -8.008 7.320) 10.949 5.521 ( 1.476 8.008 7.320) 10.949 5.769 ( -0.668 -8.037 -2.298) 8.386 5.769 ( -0.668 8.037 -2.298) 8.386 5.853 ( -0.008 -1.660 2.414) 2.929 5.853 ( -0.008 1.660 2.414) 2.929 5.998 ( 1.463 -2.974 1.326) 3.570 5.998 ( 1.463 2.974 1.326) 3.570 6.227 ( 2.394 -6.839 0.887) 7.300 6.227 ( 2.394 6.839 0.887) 7.300 6.371 ( -5.986 -10.951 -5.871) 13.792 6.371 ( -5.986 10.951 -5.871) 13.792 7.249 ( -0.215 -1.872 -4.167) 4.573 7.249 ( -0.215 1.872 -4.167) 4.573 7.841 ( 1.079 -0.943 4.028) 4.276 7.841 ( 1.079 0.943 4.028) 4.276 9.279 ( -1.326 -9.899 -1.614) 10.117 9.279 ( -1.326 9.899 -1.614) 10.117 9.426 ( 4.218 -7.555 3.922) 9.500 9.426 ( 4.218 7.555 3.922) 9.500 10.427 ( -0.537 -4.773 -2.494) 5.412 10.427 ( -0.537 4.773 -2.494) 5.412 10.688 ( 3.501 -2.041 -3.404) 5.293 10.688 ( 3.501 2.041 -3.404) 5.293 11.088 ( -2.349 -1.011 -3.398) 4.253 11.088 ( -2.349 1.011 -3.398) 4.253 11.176 ( -0.863 -4.470 4.193) 6.189 11.176 ( -0.863 4.470 4.193) 6.189 12.644 ( -1.659 -2.041 -0.563) 2.690 12.644 ( -1.659 2.041 -0.563) 2.690 12.882 ( 3.486 -2.428 -2.215) 4.791 12.882 ( 3.486 2.428 -2.215) 4.791 16.658 ( 2.620 -1.136 1.598) 3.273 16.658 ( 2.620 1.136 1.598) 3.273 16.779 ( -0.511 -0.427 -2.347) 2.440 16.779 ( -0.511 0.427 -2.347) 2.440 23.041 ( -1.966 -2.442 6.734) 7.428 23.041 ( -1.966 2.442 6.734) 7.428 23.244 ( 1.477 -5.718 5.325) 7.952 23.244 ( 1.477 5.718 5.325) 7.952 24.037 ( 3.209 -14.088 -0.133) 14.449 24.037 ( 3.209 14.088 -0.133) 14.449 24.668 ( -5.278 -15.479 -12.538) 20.608 24.668 ( -5.278 15.479 -12.538) 20.608 25.943 ( -3.872 -11.611 5.854) 13.567 25.943 ( -3.872 11.611 5.854) 13.567 26.724 ( 5.904 -15.309 -0.766) 16.426 26.724 ( 5.904 15.309 -0.766) 16.426 ======================= Grid point 143 (73/172) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -8.126 -4.110 -10.142) 13.630 1.819 ( -8.126 4.110 -10.142) 13.630 1.993 ( -8.921 -6.835 -3.164) 11.675 1.993 ( -8.921 6.835 -3.164) 11.675 2.470 ( -1.037 -2.586 -2.716) 3.891 2.470 ( -1.037 2.586 -2.716) 3.891 2.854 ( 0.779 -3.146 1.575) 3.604 2.854 ( 0.779 3.146 1.575) 3.604 3.190 ( -0.365 -1.378 10.195) 10.294 3.190 ( -0.365 1.378 10.195) 10.294 3.419 ( -6.821 -13.173 2.672) 15.073 3.419 ( -6.821 13.173 2.672) 15.073 3.696 ( -8.562 -4.532 -8.235) 12.715 3.696 ( -8.562 4.532 -8.235) 12.715 3.881 ( 1.690 -2.665 -0.395) 3.181 3.881 ( 1.690 2.665 -0.395) 3.181 4.117 ( -3.754 -6.536 -3.360) 8.253 4.117 ( -3.754 6.536 -3.360) 8.253 4.405 ( -4.470 -3.848 5.456) 8.035 4.405 ( -4.470 3.848 5.456) 8.035 4.792 ( -3.778 -2.063 2.589) 5.024 4.792 ( -3.778 2.063 2.589) 5.024 5.073 ( 1.782 -4.712 -1.442) 5.240 5.073 ( 1.782 4.712 -1.442) 5.240 5.501 ( -8.119 -7.220 -3.338) 11.366 5.501 ( -8.119 7.220 -3.338) 11.366 5.622 ( -8.937 -5.702 2.388) 10.866 5.622 ( -8.937 5.702 2.388) 10.866 5.940 ( 3.808 -2.422 -0.921) 4.606 5.940 ( 3.808 2.422 -0.921) 4.606 6.085 ( 5.191 -2.998 -0.710) 6.036 6.085 ( 5.191 2.998 -0.710) 6.036 6.189 ( -5.170 -8.338 -3.642) 10.465 6.189 ( -5.170 8.338 -3.642) 10.465 6.397 ( 11.789 -6.136 7.719) 15.369 6.397 ( 11.789 6.136 7.719) 15.369 7.235 ( 2.988 -1.743 -1.656) 3.835 7.235 ( 2.988 1.743 -1.656) 3.835 7.893 ( 0.202 -1.382 3.016) 3.324 7.893 ( 0.202 1.382 3.016) 3.324 9.217 ( -4.100 -8.945 -0.616) 9.860 9.217 ( -4.100 8.945 -0.616) 9.860 9.569 ( 7.734 -9.692 2.669) 12.683 9.569 ( 7.734 9.692 2.669) 12.683 10.389 ( -1.063 -1.388 -1.709) 2.445 10.389 ( -1.063 1.388 -1.709) 2.445 10.704 ( 4.482 -4.181 -4.583) 7.653 10.704 ( 4.482 4.181 -4.583) 7.653 10.975 ( -5.540 -4.208 -2.320) 7.334 10.975 ( -5.540 4.208 -2.320) 7.334 11.253 ( 2.643 -6.896 3.865) 8.336 11.253 ( 2.643 6.896 3.865) 8.336 12.629 ( -0.354 -1.686 0.915) 1.951 12.629 ( -0.354 1.686 0.915) 1.951 12.905 ( 3.784 -3.948 -3.656) 6.578 12.905 ( 3.784 3.948 -3.656) 6.578 16.700 ( 0.415 -0.342 -0.844) 1.000 16.700 ( 0.415 0.342 -0.844) 1.000 16.771 ( 3.036 -0.466 -0.014) 3.072 16.771 ( 3.036 0.466 -0.014) 3.072 23.084 ( -2.000 -2.605 5.882) 6.737 23.084 ( -2.000 2.605 5.882) 6.737 23.332 ( 0.338 -4.946 6.029) 7.806 23.332 ( 0.338 4.946 6.029) 7.806 24.084 ( 1.897 -11.814 0.164) 11.966 24.084 ( 1.897 11.814 0.164) 11.966 24.411 ( -6.979 -15.091 -13.323) 21.306 24.411 ( -6.979 15.091 -13.323) 21.306 25.910 ( -7.252 -9.903 3.575) 12.785 25.910 ( -7.252 9.903 3.575) 12.785 26.867 ( 11.812 -14.531 1.560) 18.791 26.867 ( 11.812 14.531 1.560) 18.791 ======================= Grid point 145 (74/172) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -4.514 -6.353 -4.171) 8.839 1.625 ( -4.514 6.353 -4.171) 8.839 1.840 ( -7.480 -11.555 -0.983) 13.800 1.840 ( -7.480 11.555 -0.983) 13.800 2.443 ( -2.659 -3.654 1.867) 4.889 2.443 ( -2.659 3.654 1.867) 4.889 2.896 ( 0.989 -6.253 2.999) 7.005 2.896 ( 0.989 6.253 2.999) 7.005 3.214 ( -6.829 -2.647 -1.097) 7.406 3.214 ( -6.829 2.647 -1.097) 7.406 3.394 ( -4.315 -12.967 8.120) 15.897 3.394 ( -4.315 12.967 8.120) 15.897 3.432 ( -12.365 -5.092 -3.425) 13.804 3.432 ( -12.365 5.092 -3.425) 13.804 3.872 ( 1.884 -5.823 -5.259) 8.070 3.872 ( 1.884 5.823 -5.259) 8.070 4.034 ( -1.950 -7.225 -2.851) 8.008 4.034 ( -1.950 7.225 -2.851) 8.008 4.351 ( -7.197 -2.420 2.329) 7.942 4.351 ( -7.197 2.420 2.329) 7.942 4.745 ( -8.700 -2.679 3.324) 9.691 4.745 ( -8.700 2.679 3.324) 9.691 5.020 ( -3.597 -6.175 -5.490) 9.011 5.020 ( -3.597 6.175 -5.490) 9.011 5.253 ( -10.627 -11.256 -8.369) 17.597 5.253 ( -10.627 11.255 -8.369) 17.597 5.577 ( -6.029 -3.658 5.972) 9.241 5.577 ( -6.029 3.658 5.972) 9.241 5.975 ( 3.355 -3.221 -2.365) 5.218 5.975 ( 3.355 3.221 -2.365) 5.218 6.065 ( -2.179 -4.451 0.297) 4.964 6.065 ( -2.179 4.451 0.297) 4.964 6.168 ( 3.575 -3.872 -1.903) 5.603 6.168 ( 3.575 3.872 -1.903) 5.603 6.739 ( 17.166 -7.204 7.488) 20.066 6.739 ( 17.166 7.204 7.488) 20.066 7.304 ( 6.886 -2.469 0.478) 7.331 7.304 ( 6.886 2.469 0.478) 7.331 7.925 ( 0.101 -2.354 2.481) 3.422 7.925 ( 0.101 2.354 2.481) 3.422 9.142 ( -4.997 -5.706 -0.485) 7.600 9.142 ( -4.997 5.706 -0.485) 7.600 9.707 ( 6.271 -10.078 1.736) 11.996 9.707 ( 6.271 10.078 1.736) 11.996 10.358 ( -1.041 -4.034 -0.762) 4.235 10.358 ( -1.041 4.034 -0.762) 4.235 10.703 ( 0.787 -0.580 -3.556) 3.688 10.703 ( 0.787 0.580 -3.556) 3.688 10.911 ( 1.533 -0.927 -1.117) 2.112 10.911 ( 1.533 0.927 -1.117) 2.112 11.328 ( 1.500 -5.834 2.781) 6.635 11.328 ( 1.500 5.834 2.781) 6.635 12.654 ( 0.663 -0.480 2.525) 2.655 12.654 ( 0.663 0.480 2.525) 2.655 12.912 ( 3.552 -6.045 -4.600) 8.386 12.912 ( 3.552 6.045 -4.600) 8.386 16.674 ( -0.180 -0.886 -2.219) 2.396 16.674 ( -0.180 0.886 -2.219) 2.396 16.845 ( 4.080 -0.971 1.501) 4.455 16.845 ( 4.080 0.971 1.501) 4.455 23.124 ( -0.721 -1.858 4.600) 5.013 23.124 ( -0.721 1.858 4.600) 5.013 23.378 ( -3.803 -1.854 5.804) 7.182 23.378 ( -3.803 1.854 5.804) 7.182 23.995 ( -10.066 -6.089 -8.831) 14.710 23.995 ( -10.066 6.089 -8.831) 14.710 24.244 ( 2.114 -9.427 -3.800) 10.382 24.244 ( 2.114 9.427 -3.800) 10.382 25.819 ( -7.919 -9.510 1.746) 12.498 25.819 ( -7.919 9.510 1.746) 12.498 27.113 ( 15.895 -13.515 2.590) 21.024 27.113 ( 15.895 13.515 2.590) 21.024 ======================= Grid point 147 (75/172) ======================= q-point: (-0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -4.128 -10.668 1.228) 11.505 1.556 ( -4.128 10.668 1.228) 11.505 1.768 ( -2.770 -20.712 3.512) 21.189 1.768 ( -2.770 20.712 3.512) 21.189 2.407 ( -5.537 -2.486 1.932) 6.369 2.407 ( -5.537 2.486 1.932) 6.369 2.930 ( -4.834 -5.133 3.300) 7.785 2.930 ( -4.834 5.133 3.300) 7.785 3.022 ( -4.126 -5.228 -8.240) 10.594 3.022 ( -4.126 5.228 -8.240) 10.594 3.240 ( -8.179 -9.961 0.571) 12.901 3.240 ( -8.179 9.961 0.571) 12.901 3.448 ( -3.558 -13.354 5.630) 14.923 3.448 ( -3.558 13.354 5.630) 14.923 3.847 ( 2.348 -5.128 -3.418) 6.595 3.847 ( 2.348 5.128 -3.418) 6.595 3.996 ( -1.833 -4.208 1.215) 4.748 3.996 ( -1.833 4.208 1.215) 4.748 4.268 ( -4.212 -1.171 -0.345) 4.385 4.268 ( -4.212 1.171 -0.345) 4.385 4.571 ( -16.139 -8.891 1.385) 18.478 4.571 ( -16.139 8.891 1.384) 18.478 4.816 ( -7.922 -5.015 -11.135) 14.557 4.816 ( -7.922 5.015 -11.135) 14.557 5.097 ( -3.574 -6.956 0.922) 7.875 5.097 ( -3.574 6.956 0.922) 7.875 5.543 ( -4.146 -4.668 1.594) 6.444 5.543 ( -4.146 4.668 1.594) 6.444 5.985 ( 1.862 -3.598 -2.189) 4.605 5.985 ( 1.862 3.598 -2.189) 4.605 6.049 ( 0.777 -1.922 -3.104) 3.733 6.049 ( 0.777 1.922 -3.104) 3.733 6.234 ( 2.809 -6.053 4.567) 8.086 6.234 ( 2.809 6.053 4.567) 8.086 7.032 ( 11.496 -11.236 2.637) 16.290 7.032 ( 11.496 11.236 2.637) 16.290 7.451 ( 10.587 -3.139 -0.206) 11.044 7.451 ( 10.587 3.139 -0.206) 11.044 7.975 ( 3.341 -4.010 2.358) 5.727 7.975 ( 3.341 4.010 2.358) 5.727 9.040 ( -6.884 -2.025 -1.522) 7.335 9.040 ( -6.884 2.025 -1.522) 7.335 9.799 ( 3.189 -9.332 1.550) 9.983 9.799 ( 3.189 9.332 1.550) 9.983 10.340 ( -0.490 -4.295 -0.292) 4.333 10.340 ( -0.490 4.295 -0.292) 4.333 10.654 ( -1.625 -5.709 -2.095) 6.294 10.654 ( -1.625 5.709 -2.095) 6.294 11.001 ( 8.478 -2.715 1.702) 9.064 11.001 ( 8.478 2.715 1.702) 9.064 11.357 ( -0.739 -3.713 0.897) 3.891 11.357 ( -0.739 3.713 0.897) 3.891 12.691 ( 0.226 -1.788 1.423) 2.296 12.691 ( 0.226 1.788 1.423) 2.296 12.920 ( 3.595 -7.136 -2.194) 8.286 12.920 ( 3.595 7.136 -2.194) 8.286 16.653 ( 0.314 -1.546 -1.277) 2.030 16.653 ( 0.314 1.546 -1.277) 2.030 16.918 ( 3.088 -0.822 1.055) 3.365 16.918 ( 3.088 0.822 1.055) 3.365 23.172 ( 1.292 -0.758 2.441) 2.864 23.172 ( 1.292 0.758 2.441) 2.864 23.349 ( -8.572 -5.210 5.593) 11.485 23.349 ( -8.572 5.210 5.593) 11.485 23.687 ( -12.225 -2.286 -8.936) 15.315 23.687 ( -12.225 2.286 -8.936) 15.315 24.282 ( 3.682 -12.071 -0.192) 12.622 24.282 ( 3.682 12.071 -0.192) 12.622 25.722 ( -6.370 -9.564 0.938) 11.529 25.722 ( -6.370 9.564 0.938) 11.529 27.388 ( 16.010 -10.522 0.202) 19.159 27.388 ( 16.010 10.522 0.202) 19.159 ======================= Grid point 149 (76/172) ======================= q-point: (-0.08 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -3.890 -18.458 3.900) 19.263 1.515 ( -3.890 18.458 3.900) 19.263 1.792 ( -2.445 -20.423 3.482) 20.862 1.792 ( -2.445 20.423 3.482) 20.862 2.315 ( -4.745 -4.958 -3.141) 7.548 2.315 ( -4.745 4.958 -3.141) 7.548 2.795 ( -6.460 -5.582 -1.419) 8.654 2.795 ( -6.460 5.582 -1.419) 8.654 3.000 ( 2.340 -2.438 -1.095) 3.552 3.000 ( 2.340 2.438 -1.095) 3.552 3.171 ( -3.395 -9.875 3.225) 10.928 3.171 ( -3.395 9.875 3.225) 10.928 3.416 ( -3.203 -15.889 -1.606) 16.288 3.416 ( -3.203 15.889 -1.606) 16.288 3.854 ( -0.801 -3.173 -0.101) 3.274 3.854 ( -0.801 3.173 -0.101) 3.274 3.991 ( -3.293 -1.127 5.517) 6.523 3.991 ( -3.293 1.127 5.517) 6.523 4.208 ( -2.198 -3.669 -2.861) 5.146 4.208 ( -2.198 3.669 -2.861) 5.146 4.396 ( -6.058 -2.126 3.648) 7.384 4.396 ( -6.058 2.126 3.648) 7.384 4.616 ( -3.459 -7.974 -4.206) 9.656 4.616 ( -3.459 7.974 -4.206) 9.656 5.085 ( -2.389 -5.194 2.911) 6.415 5.085 ( -2.389 5.194 2.911) 6.415 5.490 ( -2.258 -3.909 -2.163) 5.006 5.490 ( -2.258 3.909 -2.163) 5.006 5.989 ( 0.492 -5.441 -0.177) 5.466 5.989 ( 0.492 5.441 -0.177) 5.466 6.016 ( 2.981 -1.603 -6.488) 7.318 6.016 ( 2.981 1.603 -6.488) 7.318 6.330 ( 0.001 -6.753 6.689) 9.505 6.330 ( 0.001 6.753 6.689) 9.505 7.159 ( 4.311 -13.908 -1.140) 14.605 7.159 ( 4.311 13.908 -1.140) 14.605 7.579 ( 6.939 -2.615 -1.744) 7.618 7.579 ( 6.939 2.615 -1.744) 7.618 8.068 ( 6.094 -6.504 -2.671) 9.304 8.068 ( 6.094 6.504 -2.671) 9.304 8.899 ( -6.796 -0.868 -2.600) 7.328 8.899 ( -6.796 0.868 -2.600) 7.328 9.849 ( 0.561 -7.476 2.173) 7.805 9.849 ( 0.561 7.476 2.173) 7.805 10.332 ( -0.268 -1.683 -0.343) 1.738 10.332 ( -0.268 1.683 -0.343) 1.738 10.624 ( 0.111 -6.783 -0.699) 6.820 10.624 ( 0.111 6.783 -0.699) 6.820 11.170 ( 7.718 -1.007 3.216) 8.422 11.170 ( 7.718 1.007 3.216) 8.422 11.327 ( -2.865 -1.541 -0.579) 3.304 11.327 ( -2.865 1.541 -0.579) 3.304 12.680 ( -0.454 -3.385 -2.491) 4.227 12.680 ( -0.454 3.385 -2.491) 4.227 12.985 ( 3.015 -7.377 3.896) 8.871 12.985 ( 3.015 7.377 3.896) 8.871 16.655 ( 0.650 -1.918 0.267) 2.043 16.655 ( 0.650 1.918 0.267) 2.043 16.961 ( 1.359 -0.541 0.196) 1.476 16.961 ( 1.359 0.541 0.196) 1.476 23.175 ( -2.985 -3.023 -3.834) 5.722 23.175 ( -2.985 3.023 -3.834) 5.722 23.270 ( -4.984 -1.889 3.115) 6.174 23.270 ( -4.984 1.889 3.115) 6.174 23.507 ( -5.442 -3.394 4.557) 7.867 23.507 ( -5.442 3.394 4.557) 7.867 24.331 ( 2.327 -15.274 0.209) 15.451 24.331 ( 2.327 15.274 0.209) 15.451 25.652 ( -3.705 -9.395 0.637) 10.119 25.652 ( -3.705 9.395 0.637) 10.119 27.569 ( 10.172 -5.840 -5.619) 13.006 27.569 ( 10.172 5.840 -5.619) 13.006 ======================= Grid point 175 (77/172) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -13.881 0.000 16.367) 21.461 1.093 ( 3.208 0.000 18.137) 18.418 1.611 ( 8.069 0.000 -2.148) 8.350 1.878 ( -3.583 0.000 20.312) 20.625 2.149 ( 7.015 0.000 7.420) 10.211 2.373 ( -2.290 0.000 12.495) 12.703 2.478 ( 9.152 0.000 -3.420) 9.770 2.723 ( -3.460 0.000 3.139) 4.672 2.885 ( -3.315 0.000 -2.286) 4.027 3.005 ( 0.061 0.000 2.213) 2.214 3.073 ( -2.212 0.000 -0.382) 2.244 3.405 ( 5.745 0.000 0.736) 5.792 3.521 ( -8.324 0.000 -0.151) 8.326 3.581 ( 5.101 0.000 -4.772) 6.985 3.667 ( -1.324 0.000 -1.175) 1.770 3.840 ( -1.998 0.000 -3.495) 4.026 4.110 ( -4.180 0.000 1.251) 4.363 4.128 ( -5.285 0.000 3.485) 6.330 4.331 ( 2.453 0.000 -2.047) 3.195 4.414 ( -4.167 0.000 3.815) 5.650 4.497 ( 6.791 0.000 -5.356) 8.649 4.687 ( -5.403 0.000 5.008) 7.367 4.712 ( -8.567 0.000 9.311) 12.653 4.833 ( 8.706 0.000 -0.286) 8.711 5.070 ( -0.186 0.000 -9.233) 9.235 5.198 ( 4.503 0.000 -8.426) 9.554 5.597 ( 2.506 0.000 -8.682) 9.037 5.599 ( -3.300 0.000 -12.223) 12.661 5.682 ( 2.551 0.000 2.176) 3.353 5.873 ( 5.560 0.000 0.182) 5.563 6.011 ( 6.240 0.000 -2.137) 6.596 6.134 ( -3.309 0.000 8.622) 9.235 6.202 ( 1.481 0.000 6.165) 6.340 6.441 ( 1.955 0.000 4.610) 5.008 6.544 ( 1.962 0.000 1.810) 2.669 7.200 ( 0.213 0.000 -6.084) 6.088 7.436 ( -0.281 0.000 -6.305) 6.311 7.458 ( -9.131 0.000 -7.590) 11.874 8.081 ( -0.061 0.000 -0.247) 0.254 8.230 ( -0.062 0.000 -3.443) 3.443 8.765 ( 2.084 0.000 -0.965) 2.296 8.890 ( -0.218 0.000 -2.154) 2.165 9.711 ( -2.244 0.000 6.677) 7.044 10.049 ( 0.499 0.000 3.769) 3.802 10.316 ( 1.420 0.000 -4.721) 4.930 10.344 ( 4.634 0.000 2.854) 5.443 10.595 ( 0.293 0.000 -3.772) 3.783 10.692 ( -8.517 0.000 -7.249) 11.185 11.196 ( 1.565 0.000 4.275) 4.552 11.280 ( -2.392 0.000 3.706) 4.411 11.332 ( 3.444 0.000 0.900) 3.560 11.421 ( -2.541 0.000 1.783) 3.105 12.507 ( 2.330 0.000 -0.137) 2.334 12.589 ( -2.679 0.000 -1.654) 3.148 12.836 ( -1.189 0.000 6.576) 6.683 13.172 ( 1.611 0.000 -3.297) 3.669 16.685 ( 0.618 0.000 3.132) 3.192 16.858 ( 1.551 0.000 1.411) 2.096 16.859 ( -0.473 0.000 -1.511) 1.584 16.940 ( -1.670 0.000 -0.799) 1.851 22.882 ( 5.157 0.000 3.208) 6.073 23.069 ( -2.586 0.000 -1.934) 3.229 23.208 ( -4.465 0.000 1.077) 4.593 23.291 ( -5.111 0.000 -2.037) 5.502 23.584 ( 0.260 0.000 2.666) 2.679 23.662 ( 4.694 0.000 -0.031) 4.694 25.237 ( -0.584 0.000 8.924) 8.943 25.297 ( 3.913 0.000 1.412) 4.160 25.496 ( -0.180 0.000 -2.732) 2.738 25.883 ( -2.462 0.000 -7.405) 7.803 26.204 ( -2.596 0.000 10.513) 10.829 27.106 ( 5.748 0.000 -14.115) 15.240 ======================= Grid point 176 (78/172) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 14.780 0.000 12.683) 19.476 1.359 ( 10.971 0.000 9.772) 14.692 1.879 ( 20.127 0.000 4.219) 20.565 1.927 ( 1.681 0.000 -3.623) 3.994 2.329 ( 4.372 0.000 1.717) 4.697 2.534 ( 4.471 0.000 -8.728) 9.807 2.584 ( -0.066 0.000 24.199) 24.199 2.717 ( -1.526 0.000 5.376) 5.589 2.850 ( 0.418 0.000 -1.488) 1.545 3.053 ( 1.032 0.000 0.910) 1.376 3.081 ( 6.393 0.000 0.970) 6.466 3.434 ( 3.434 0.000 -7.452) 8.205 3.475 ( -1.928 0.000 3.540) 4.031 3.659 ( -0.218 0.000 1.800) 1.813 3.677 ( 8.531 0.000 1.491) 8.660 3.752 ( -1.550 0.000 -4.231) 4.506 4.089 ( -3.864 0.000 2.202) 4.447 4.104 ( -1.017 0.000 2.084) 2.319 4.369 ( 3.245 0.000 0.081) 3.246 4.409 ( -3.360 0.000 6.413) 7.240 4.482 ( 2.773 0.000 -8.281) 8.733 4.656 ( -5.015 0.000 4.235) 6.564 4.692 ( -7.632 0.000 8.232) 11.225 4.869 ( 2.219 0.000 -4.545) 5.057 5.043 ( 4.941 0.000 -4.207) 6.490 5.225 ( 8.006 0.000 -5.442) 9.680 5.388 ( -3.650 0.000 -11.466) 12.033 5.520 ( -2.819 0.000 -2.408) 3.707 5.718 ( 3.030 0.000 -0.408) 3.057 5.919 ( 1.738 0.000 -2.202) 2.805 6.117 ( 11.081 0.000 -5.378) 12.317 6.199 ( 1.291 0.000 -4.643) 4.819 6.294 ( 2.357 0.000 12.838) 13.053 6.505 ( -3.627 0.000 -4.465) 5.752 6.540 ( -2.272 0.000 11.541) 11.763 7.078 ( -5.022 0.000 -9.452) 10.703 7.318 ( -0.919 0.000 -2.021) 2.220 7.367 ( -0.302 0.000 -2.870) 2.886 8.084 ( 0.387 0.000 -0.098) 0.399 8.184 ( -1.639 0.000 -1.886) 2.499 8.804 ( 3.675 0.000 -0.923) 3.789 8.844 ( -1.863 0.000 -2.490) 3.110 9.753 ( -3.475 0.000 8.523) 9.204 10.045 ( -1.982 0.000 -4.304) 4.739 10.341 ( 4.423 0.000 2.730) 5.198 10.466 ( 6.853 0.000 1.628) 7.044 10.490 ( -7.654 0.000 -4.635) 8.948 10.569 ( 1.671 0.000 -2.252) 2.804 11.243 ( -0.403 0.000 2.141) 2.179 11.279 ( -5.459 0.000 6.213) 8.271 11.304 ( -6.812 0.000 -1.555) 6.988 11.415 ( 1.232 0.000 -0.210) 1.249 12.532 ( -1.535 0.000 -1.867) 2.417 12.574 ( 5.010 0.000 0.734) 5.064 12.890 ( -1.868 0.000 6.170) 6.446 13.138 ( -0.375 0.000 -4.006) 4.023 16.732 ( 0.320 0.000 3.259) 3.275 16.817 ( -2.015 0.000 -2.035) 2.864 16.891 ( -2.835 0.000 -1.382) 3.154 16.893 ( 0.410 0.000 1.814) 1.860 22.991 ( -2.788 0.000 -3.529) 4.497 23.023 ( 5.901 0.000 2.402) 6.371 23.169 ( -3.404 0.000 2.607) 4.288 23.226 ( -1.014 0.000 1.978) 2.223 23.592 ( -0.897 0.000 -1.289) 1.570 23.728 ( 3.647 0.000 0.022) 3.647 25.221 ( -8.770 0.000 2.697) 9.176 25.341 ( -1.934 0.000 2.361) 3.051 25.549 ( 4.256 0.000 4.329) 6.071 25.764 ( 1.036 0.000 -8.710) 8.771 26.323 ( 0.869 0.000 11.773) 11.805 27.024 ( 6.587 0.000 -16.591) 17.851 ======================= Grid point 177 (79/172) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 23.157 0.000 7.576) 24.364 1.666 ( 14.172 0.000 7.560) 16.062 1.922 ( 6.849 0.000 -5.898) 9.039 2.191 ( 15.396 0.000 -4.564) 16.058 2.420 ( 8.787 0.000 -0.766) 8.821 2.452 ( 0.539 0.000 -7.451) 7.471 2.670 ( -6.462 0.000 7.447) 9.860 2.806 ( -2.549 0.000 -0.498) 2.597 2.954 ( 5.878 0.000 16.022) 17.066 3.043 ( -0.827 0.000 -0.708) 1.089 3.288 ( 12.294 0.000 -1.747) 12.418 3.377 ( 6.164 0.000 -7.680) 9.848 3.445 ( -3.471 0.000 -1.077) 3.634 3.684 ( 3.470 0.000 -6.208) 7.111 3.720 ( -0.487 0.000 6.098) 6.117 3.889 ( 11.816 0.000 2.654) 12.111 4.061 ( -1.711 0.000 0.304) 1.737 4.088 ( -2.172 0.000 -1.042) 2.409 4.409 ( -0.755 0.000 2.772) 2.872 4.421 ( -0.895 0.000 -2.018) 2.207 4.457 ( 4.243 0.000 0.791) 4.316 4.636 ( -4.111 0.000 4.035) 5.760 4.740 ( -0.968 0.000 12.732) 12.769 4.819 ( 0.897 0.000 -7.350) 7.404 5.118 ( -6.883 0.000 -6.609) 9.542 5.121 ( 8.478 0.000 0.407) 8.487 5.392 ( 11.271 0.000 -5.567) 12.571 5.505 ( 3.392 0.000 0.894) 3.508 5.792 ( 4.176 0.000 2.951) 5.113 5.883 ( -3.176 0.000 -2.406) 3.984 6.109 ( -1.198 0.000 -7.600) 7.694 6.194 ( 6.462 0.000 -5.205) 8.298 6.367 ( -4.419 0.000 -6.486) 7.848 6.448 ( -0.185 0.000 2.537) 2.544 6.678 ( 0.054 0.000 18.662) 18.662 6.875 ( -4.943 0.000 -10.744) 11.826 7.300 ( -0.733 0.000 -0.803) 1.087 7.382 ( 1.703 0.000 3.461) 3.857 8.076 ( -1.880 0.000 -0.237) 1.895 8.137 ( -2.970 0.000 0.149) 2.973 8.784 ( -1.911 0.000 -2.036) 2.793 8.843 ( 3.731 0.000 -2.501) 4.492 9.808 ( -3.344 0.000 9.324) 9.906 9.910 ( -5.697 0.000 -6.831) 8.895 10.333 ( -5.534 0.000 -2.674) 6.146 10.502 ( 7.590 0.000 4.683) 8.919 10.510 ( 4.730 0.000 -7.787) 9.111 10.665 ( 5.672 0.000 6.441) 8.582 11.142 ( -9.622 0.000 -2.389) 9.914 11.237 ( -2.505 0.000 1.426) 2.882 11.257 ( -6.820 0.000 5.457) 8.735 11.419 ( 0.475 0.000 -1.757) 1.820 12.508 ( 0.703 0.000 -0.631) 0.945 12.663 ( 4.702 0.000 1.042) 4.816 12.921 ( -2.616 0.000 4.708) 5.386 13.068 ( -1.851 0.000 -4.595) 4.954 16.754 ( -2.748 0.000 -2.032) 3.418 16.768 ( -0.191 0.000 2.572) 2.579 16.822 ( -3.493 0.000 -1.700) 3.885 16.912 ( -0.747 0.000 1.763) 1.914 22.909 ( -1.903 0.000 -3.750) 4.205 23.044 ( -3.252 0.000 0.722) 3.331 23.164 ( -3.146 0.000 5.123) 6.012 23.352 ( 8.763 0.000 3.433) 9.412 23.523 ( -2.986 0.000 -3.667) 4.729 23.775 ( 3.099 0.000 -0.900) 3.227 25.114 ( -6.566 0.000 1.482) 6.731 25.294 ( -4.817 0.000 -0.718) 4.870 25.650 ( -0.329 0.000 5.645) 5.654 25.713 ( 3.668 0.000 -6.626) 7.574 26.509 ( 4.046 0.000 12.715) 13.343 26.927 ( 6.275 0.000 -15.513) 16.735 ======================= Grid point 178 (80/172) ======================= q-point: ( 0.25 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 16.810 0.000 -6.489) 18.019 1.947 ( 11.970 0.000 4.780) 12.889 2.064 ( 9.766 0.000 5.961) 11.442 2.190 ( 4.103 0.000 -14.655) 15.219 2.398 ( 0.179 0.000 -5.883) 5.885 2.598 ( 7.416 0.000 2.580) 7.852 2.655 ( 0.549 0.000 4.306) 4.340 2.824 ( 2.491 0.000 2.178) 3.309 3.014 ( -3.108 0.000 3.601) 4.756 3.146 ( 3.058 0.000 0.121) 3.061 3.253 ( 1.134 0.000 -7.395) 7.481 3.423 ( 2.133 0.000 2.494) 3.282 3.523 ( 9.458 0.000 -3.290) 10.014 3.733 ( -5.754 0.000 5.150) 7.722 3.739 ( 16.464 0.000 -10.479) 19.516 3.970 ( -2.598 0.000 -1.188) 2.856 4.039 ( -0.846 0.000 -1.072) 1.366 4.077 ( 3.450 0.000 -3.359) 4.815 4.413 ( -3.491 0.000 3.264) 4.780 4.492 ( 4.419 0.000 9.510) 10.487 4.590 ( 11.024 0.000 2.374) 11.277 4.616 ( -3.545 0.000 2.421) 4.293 4.767 ( 2.962 0.000 -3.880) 4.881 4.920 ( 3.182 0.000 11.341) 11.779 5.006 ( -0.126 0.000 -0.033) 0.130 5.296 ( 10.289 0.000 2.480) 10.584 5.477 ( 7.239 0.000 -4.941) 8.765 5.633 ( 9.016 0.000 2.219) 9.285 5.753 ( -4.601 0.000 -8.189) 9.393 5.906 ( 4.394 0.000 4.716) 6.446 6.021 ( -3.017 0.000 -1.664) 3.446 6.176 ( -3.840 0.000 -1.050) 3.981 6.262 ( 3.337 0.000 -8.944) 9.547 6.376 ( -5.010 0.000 -4.257) 6.574 6.667 ( -4.916 0.000 -11.304) 12.327 6.932 ( 2.805 0.000 16.581) 16.817 7.269 ( -2.156 0.000 -0.237) 2.169 7.475 ( 0.947 0.000 7.534) 7.594 7.995 ( -7.536 0.000 -2.022) 7.803 8.097 ( -3.945 0.000 2.086) 4.463 8.755 ( -0.109 0.000 0.231) 0.255 8.859 ( 3.180 0.000 -3.770) 4.932 9.735 ( -6.318 0.000 -5.799) 8.576 9.863 ( -3.698 0.000 8.803) 9.548 10.232 ( -4.768 0.000 -1.242) 4.927 10.483 ( 4.828 0.000 -8.788) 10.027 10.655 ( 6.317 0.000 0.500) 6.337 10.821 ( 4.069 0.000 5.519) 6.857 10.998 ( -5.106 0.000 -0.121) 5.107 11.185 ( -5.868 0.000 -0.633) 5.902 11.224 ( -3.660 0.000 5.238) 6.390 11.392 ( -1.056 0.000 -1.706) 2.006 12.539 ( 2.694 0.000 0.947) 2.856 12.738 ( 3.431 0.000 0.779) 3.518 12.919 ( -3.350 0.000 2.747) 4.332 12.978 ( -2.438 0.000 -4.754) 5.343 16.691 ( -2.382 0.000 -1.491) 2.811 16.747 ( -3.464 0.000 -1.644) 3.834 16.784 ( -0.736 0.000 1.251) 1.451 16.911 ( -1.683 0.000 1.296) 2.125 22.849 ( -0.932 0.000 -2.356) 2.533 23.000 ( -3.975 0.000 2.344) 4.615 23.194 ( -3.349 0.000 8.204) 8.862 23.339 ( -5.582 0.000 -4.763) 7.338 23.589 ( 9.090 0.000 1.785) 9.263 23.805 ( 3.139 0.000 -2.176) 3.820 25.080 ( -1.576 0.000 3.515) 3.852 25.190 ( -3.710 0.000 -5.051) 6.267 25.653 ( -5.366 0.000 2.350) 5.858 25.706 ( 2.908 0.000 -3.510) 4.558 26.729 ( 3.996 0.000 12.478) 13.102 26.866 ( 7.554 0.000 -12.512) 14.615 ======================= Grid point 179 (81/172) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 19.259 0.000 -8.973) 21.247 2.081 ( 7.073 0.000 -15.802) 17.313 2.153 ( 8.303 0.000 3.786) 9.125 2.213 ( -1.817 0.000 5.668) 5.953 2.334 ( -1.164 0.000 -2.069) 2.374 2.608 ( -5.723 0.000 9.548) 11.132 2.824 ( 7.608 0.000 -1.607) 7.776 2.856 ( 2.038 0.000 -3.896) 4.397 2.968 ( -3.786 0.000 -2.867) 4.749 3.209 ( 3.075 0.000 -5.401) 6.215 3.231 ( 6.398 0.000 6.603) 9.195 3.498 ( 2.120 0.000 0.364) 2.151 3.603 ( 7.674 0.000 -3.807) 8.567 3.713 ( -4.740 0.000 6.614) 8.137 3.858 ( 17.116 0.000 -16.286) 23.626 3.952 ( -3.214 0.000 6.167) 6.954 4.018 ( -0.044 0.000 -0.146) 0.153 4.049 ( -1.873 0.000 0.823) 2.046 4.376 ( -2.639 0.000 -0.281) 2.654 4.585 ( -2.494 0.000 0.308) 2.513 4.657 ( 2.294 0.000 6.128) 6.543 4.792 ( 6.765 0.000 1.503) 6.930 4.850 ( 6.441 0.000 4.867) 8.073 5.090 ( 10.976 0.000 2.633) 11.287 5.131 ( 4.223 0.000 10.854) 11.646 5.447 ( 6.920 0.000 -1.177) 7.019 5.495 ( 4.361 0.000 -8.866) 9.880 5.611 ( -1.402 0.000 -2.537) 2.899 5.781 ( 6.116 0.000 0.265) 6.122 5.958 ( -6.067 0.000 2.375) 6.515 6.035 ( 4.943 0.000 4.397) 6.616 6.116 ( -2.748 0.000 1.374) 3.072 6.204 ( 2.985 0.000 -10.661) 11.071 6.245 ( -2.055 0.000 -6.922) 7.221 6.481 ( -3.613 0.000 -6.525) 7.459 7.110 ( 0.014 0.000 8.516) 8.516 7.235 ( -1.894 0.000 -0.055) 1.895 7.584 ( 0.248 0.000 9.485) 9.489 7.786 ( -13.280 0.000 -5.196) 14.261 8.064 ( -4.424 0.000 3.341) 5.544 8.778 ( -0.044 0.000 2.679) 2.680 8.858 ( 3.108 0.000 -4.150) 5.185 9.606 ( -2.778 0.000 -2.576) 3.788 9.897 ( -4.280 0.000 7.330) 8.488 10.152 ( -3.878 0.000 -0.568) 3.920 10.453 ( 4.258 0.000 -8.403) 9.420 10.683 ( 0.797 0.000 -3.456) 3.547 10.895 ( -0.997 0.000 2.491) 2.683 11.010 ( 3.455 0.000 2.448) 4.234 11.069 ( -4.373 0.000 -4.452) 6.241 11.260 ( -1.313 0.000 6.863) 6.988 11.347 ( -2.561 0.000 -1.264) 2.856 12.600 ( 2.870 0.000 1.219) 3.118 12.785 ( 2.071 0.000 -0.284) 2.091 12.884 ( -3.906 0.000 1.103) 4.058 12.888 ( -1.856 0.000 -4.350) 4.730 16.650 ( -1.346 0.000 -0.453) 1.421 16.682 ( -2.400 0.000 -1.330) 2.744 16.776 ( -1.018 0.000 -0.275) 1.055 16.891 ( -2.304 0.000 0.499) 2.358 22.829 ( 0.286 0.000 0.037) 0.288 22.988 ( -3.203 0.000 4.803) 5.773 23.225 ( -3.090 0.000 -0.357) 3.111 23.250 ( -4.315 0.000 10.947) 11.766 23.715 ( 6.353 0.000 -1.551) 6.540 23.822 ( 3.029 0.000 -2.932) 4.215 25.072 ( -1.231 0.000 -7.849) 7.945 25.126 ( -0.278 0.000 4.666) 4.675 25.557 ( -6.390 0.000 -1.626) 6.594 25.717 ( 2.354 0.000 -1.605) 2.850 26.866 ( 9.070 0.000 -9.222) 12.935 26.896 ( -0.356 0.000 9.675) 9.681 ======================= Grid point 180 (82/172) ======================= q-point: ( 0.42 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 11.930 0.000 -10.959) 16.200 2.102 ( -4.670 0.000 0.566) 4.704 2.248 ( 14.759 0.000 -4.815) 15.525 2.281 ( 0.667 0.000 2.748) 2.828 2.351 ( 4.919 0.000 3.286) 5.916 2.673 ( -3.036 0.000 10.187) 10.630 2.772 ( -2.795 0.000 -6.984) 7.523 2.813 ( 2.175 0.000 -6.926) 7.260 2.978 ( 1.132 0.000 6.132) 6.236 3.218 ( 5.854 0.000 -5.185) 7.820 3.311 ( -6.197 0.000 1.738) 6.437 3.503 ( -0.145 0.000 -2.840) 2.844 3.662 ( 4.666 0.000 -3.675) 5.940 3.763 ( -2.074 0.000 11.153) 11.344 3.879 ( 3.676 0.000 -5.181) 6.353 3.967 ( 6.901 0.000 -7.446) 10.152 4.051 ( 1.675 0.000 3.153) 3.570 4.109 ( -2.577 0.000 10.892) 11.192 4.371 ( 4.532 0.000 -1.357) 4.731 4.549 ( -2.100 0.000 0.016) 2.100 4.679 ( -3.857 0.000 0.369) 3.874 4.811 ( -0.325 0.000 -4.752) 4.763 5.039 ( 6.271 0.000 7.749) 9.968 5.166 ( -3.271 0.000 2.678) 4.228 5.370 ( 6.190 0.000 -1.331) 6.331 5.470 ( 12.470 0.000 -2.512) 12.721 5.487 ( 3.306 0.000 -3.649) 4.924 5.697 ( 3.786 0.000 8.934) 9.703 5.767 ( -3.544 0.000 -5.944) 6.921 5.887 ( -7.478 0.000 4.022) 8.491 6.067 ( -1.124 0.000 -2.802) 3.019 6.135 ( 1.470 0.000 -4.156) 4.408 6.166 ( 2.053 0.000 -6.458) 6.777 6.202 ( 8.020 0.000 3.137) 8.612 6.430 ( 1.290 0.000 -0.177) 1.302 7.122 ( -5.326 0.000 0.153) 5.328 7.208 ( -1.013 0.000 -0.886) 1.345 7.484 ( -11.653 0.000 -8.889) 14.657 7.730 ( 1.050 0.000 11.501) 11.549 8.040 ( -4.209 0.000 3.943) 5.768 8.790 ( -2.486 0.000 2.268) 3.365 8.865 ( 4.226 0.000 -3.878) 5.736 9.606 ( 2.802 0.000 2.448) 3.721 9.904 ( -4.933 0.000 5.768) 7.590 10.111 ( -1.307 0.000 0.861) 1.565 10.410 ( 2.291 0.000 -7.398) 7.745 10.642 ( 0.063 0.000 -3.657) 3.658 10.837 ( -4.638 0.000 -4.399) 6.392 10.992 ( 0.412 0.000 -2.326) 2.362 11.086 ( 1.360 0.000 -0.215) 1.377 11.305 ( -0.089 0.000 0.674) 0.680 11.320 ( -1.913 0.000 6.354) 6.636 12.637 ( 0.449 0.000 -0.000) 0.449 12.793 ( 0.941 0.000 -2.523) 2.693 12.830 ( -4.169 0.000 0.736) 4.234 12.832 ( 1.102 0.000 -3.090) 3.281 16.629 ( -1.392 0.000 0.112) 1.396 16.657 ( 0.859 0.000 -0.167) 0.875 16.750 ( -0.754 0.000 -1.537) 1.712 16.852 ( -2.691 0.000 -0.528) 2.742 22.862 ( 1.828 0.000 2.726) 3.282 22.989 ( -4.552 0.000 5.115) 6.847 23.282 ( 4.953 0.000 7.405) 8.908 23.309 ( -5.761 0.000 11.711) 13.051 23.751 ( 2.690 0.000 -3.505) 4.418 23.829 ( 1.779 0.000 -2.126) 2.773 24.981 ( 2.824 0.000 -8.859) 9.298 25.108 ( -7.515 0.000 -0.273) 7.520 25.479 ( 0.056 0.000 -0.824) 0.826 25.734 ( 1.866 0.000 -1.400) 2.333 26.926 ( 10.221 0.000 -6.097) 11.901 26.934 ( -6.264 0.000 5.408) 8.276 ======================= Grid point 181 (83/172) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -12.408 0.000 5.056) 13.398 2.104 ( -0.157 0.000 -4.031) 4.035 2.355 ( 8.864 0.000 1.648) 9.016 2.382 ( 7.119 0.000 -8.994) 11.470 2.464 ( 2.790 0.000 1.787) 3.313 2.620 ( -6.501 0.000 -1.483) 6.668 2.816 ( 10.506 0.000 2.478) 10.795 2.823 ( 7.321 0.000 -0.840) 7.369 3.079 ( -3.667 0.000 11.020) 11.614 3.158 ( -8.450 0.000 -3.263) 9.059 3.243 ( 7.158 0.000 -8.923) 11.439 3.404 ( -7.287 0.000 -1.760) 7.497 3.654 ( 0.859 0.000 -3.411) 3.518 3.838 ( -5.544 0.000 8.533) 10.176 3.908 ( 5.014 0.000 -2.731) 5.710 3.983 ( 6.206 0.000 -5.536) 8.316 4.107 ( -11.830 0.000 5.014) 12.848 4.131 ( 2.266 0.000 4.894) 5.394 4.464 ( 3.986 0.000 1.790) 4.369 4.541 ( 2.476 0.000 0.228) 2.487 4.612 ( -7.416 0.000 2.592) 7.856 4.706 ( 0.933 0.000 -10.110) 10.153 5.073 ( -6.835 0.000 -2.082) 7.145 5.154 ( -2.777 0.000 4.635) 5.403 5.447 ( 4.692 0.000 2.667) 5.397 5.485 ( -2.333 0.000 -0.304) 2.353 5.601 ( -3.049 0.000 4.585) 5.506 5.661 ( 4.789 0.000 -5.385) 7.206 5.869 ( 1.147 0.000 3.442) 3.628 5.870 ( 5.149 0.000 6.609) 8.378 6.013 ( -0.528 0.000 -3.636) 3.674 6.098 ( -2.817 0.000 -1.508) 3.196 6.142 ( 3.504 0.000 -5.542) 6.557 6.367 ( 9.763 0.000 -0.936) 9.807 6.482 ( 4.333 0.000 1.919) 4.739 6.947 ( -11.867 0.000 -5.530) 13.092 7.182 ( -0.150 0.000 -1.685) 1.691 7.269 ( -3.674 0.000 -6.020) 7.052 7.888 ( 3.338 0.000 8.700) 9.318 8.027 ( -3.609 0.000 4.014) 5.398 8.765 ( -2.714 0.000 1.191) 2.963 8.903 ( 6.397 0.000 -3.513) 7.298 9.731 ( 6.050 0.000 5.827) 8.400 9.871 ( -7.299 0.000 3.881) 8.267 10.138 ( 2.039 0.000 2.833) 3.491 10.356 ( 1.604 0.000 -6.067) 6.275 10.603 ( 0.412 0.000 -4.070) 4.090 10.699 ( -2.806 0.000 -7.607) 8.108 11.000 ( 2.148 0.000 -0.570) 2.223 11.013 ( -5.540 0.000 -2.979) 6.291 11.339 ( -4.198 0.000 4.581) 6.214 11.387 ( 5.234 0.000 3.310) 6.193 12.618 ( -1.735 0.000 -0.361) 1.772 12.751 ( -1.218 0.000 -3.208) 3.432 12.781 ( -2.704 0.000 -0.453) 2.742 12.854 ( 4.767 0.000 -1.718) 5.067 16.622 ( 0.269 0.000 0.391) 0.474 16.693 ( 2.627 0.000 1.175) 2.878 16.720 ( -0.048 0.000 -2.261) 2.262 16.797 ( -2.747 0.000 -1.513) 3.136 22.950 ( 3.475 0.000 5.086) 6.160 22.984 ( -3.509 0.000 4.989) 6.099 23.341 ( -6.567 0.000 9.448) 11.506 23.478 ( 5.833 0.000 4.565) 7.407 23.761 ( 2.452 0.000 3.694) 4.433 23.823 ( -1.188 0.000 0.001) 1.188 24.906 ( -10.819 0.000 -7.402) 13.109 24.960 ( 7.637 0.000 -8.017) 11.073 25.517 ( 2.457 0.000 1.796) 3.043 25.734 ( 1.010 0.000 -2.779) 2.957 26.840 ( -10.993 0.000 2.093) 11.190 27.037 ( 11.238 0.000 -3.238) 11.696 ======================= Grid point 182 (84/172) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -16.403 0.000 5.284) 17.233 1.956 ( -13.789 0.000 -1.460) 13.866 2.249 ( -6.736 0.000 -10.115) 12.153 2.474 ( 0.823 0.000 -3.272) 3.374 2.496 ( -6.661 0.000 -2.187) 7.011 2.527 ( 7.788 0.000 1.165) 7.875 2.901 ( -9.940 0.000 -8.778) 13.261 3.025 ( 11.696 0.000 7.314) 13.795 3.070 ( 14.387 0.000 2.832) 14.663 3.199 ( -4.563 0.000 12.439) 13.250 3.215 ( 7.770 0.000 -14.336) 16.306 3.291 ( -7.406 0.000 4.368) 8.598 3.635 ( 1.075 0.000 -3.930) 4.075 3.795 ( -7.717 0.000 2.780) 8.203 3.875 ( -8.726 0.000 1.357) 8.831 3.932 ( -4.877 0.000 -5.675) 7.483 4.090 ( 8.813 0.000 1.927) 9.021 4.225 ( 1.591 0.000 5.233) 5.469 4.423 ( -12.725 0.000 -4.485) 13.492 4.490 ( -5.682 0.000 7.115) 9.105 4.622 ( 6.363 0.000 -1.990) 6.667 4.665 ( 0.785 0.000 -3.897) 3.975 4.951 ( -8.118 0.000 1.750) 8.305 5.101 ( -6.385 0.000 2.289) 6.783 5.444 ( -3.381 0.000 3.744) 5.045 5.465 ( -5.426 0.000 -1.076) 5.531 5.623 ( -1.646 0.000 10.320) 10.450 5.730 ( 4.296 0.000 -3.327) 5.434 5.933 ( -0.933 0.000 4.793) 4.883 5.970 ( 0.955 0.000 -3.959) 4.073 6.011 ( 7.294 0.000 0.604) 7.319 6.020 ( -4.058 0.000 -1.354) 4.278 6.131 ( 3.649 0.000 -5.709) 6.776 6.436 ( 9.889 0.000 -10.968) 14.768 6.651 ( 8.477 0.000 8.438) 11.960 6.681 ( -11.926 0.000 -6.749) 13.703 7.173 ( 1.440 0.000 -0.979) 1.741 7.207 ( 1.702 0.000 -2.550) 3.066 8.022 ( -2.917 0.000 3.705) 4.715 8.028 ( 3.512 0.000 5.431) 6.468 8.749 ( -0.601 0.000 0.720) 0.938 8.977 ( 8.221 0.000 -3.624) 8.985 9.759 ( -10.913 0.000 1.264) 10.986 9.905 ( 6.523 0.000 5.876) 8.780 10.241 ( 5.212 0.000 4.605) 6.955 10.321 ( 2.054 0.000 -5.197) 5.588 10.539 ( -1.718 0.000 -5.165) 5.444 10.592 ( -0.328 0.000 -5.465) 5.475 10.922 ( -2.473 0.000 0.072) 2.474 11.037 ( 2.934 0.000 0.123) 2.937 11.300 ( -6.030 0.000 2.359) 6.475 11.492 ( 3.523 0.000 1.812) 3.961 12.599 ( -1.033 0.000 1.325) 1.680 12.697 ( -1.568 0.000 -1.961) 2.511 12.728 ( -2.119 0.000 -1.902) 2.847 12.922 ( 6.105 0.000 -1.441) 6.273 16.648 ( 2.114 0.000 0.867) 2.285 16.696 ( 0.127 0.000 -2.153) 2.157 16.737 ( -1.606 0.000 -2.227) 2.746 16.760 ( 3.484 0.000 1.763) 3.904 23.001 ( -1.344 0.000 3.989) 4.210 23.085 ( 4.643 0.000 6.616) 8.083 23.331 ( -5.898 0.000 5.452) 8.032 23.466 ( -3.452 0.000 -5.114) 6.170 23.786 ( -4.400 0.000 0.873) 4.486 23.989 ( 7.264 0.000 16.271) 17.819 24.633 ( -8.233 0.000 -12.420) 14.901 25.028 ( 10.712 0.000 -4.620) 11.666 25.570 ( 0.951 0.000 2.222) 2.417 25.694 ( 0.001 0.000 -5.395) 5.395 26.664 ( -13.430 0.000 0.981) 13.466 27.194 ( 12.253 0.000 -1.361) 12.329 ======================= Grid point 183 (85/172) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -23.493 0.000 -2.826) 23.662 1.657 ( -21.697 0.000 -1.868) 21.777 2.021 ( -12.798 0.000 -0.373) 12.803 2.378 ( -7.023 0.000 0.537) 7.044 2.418 ( -3.741 0.000 -2.997) 4.793 2.602 ( 2.413 0.000 -0.054) 2.414 2.622 ( -10.548 0.000 -10.132) 14.626 3.152 ( 3.849 0.000 -10.738) 11.407 3.152 ( -11.499 0.000 6.902) 13.411 3.289 ( 2.658 0.000 5.059) 5.715 3.293 ( 7.698 0.000 5.730) 9.597 3.345 ( 4.807 0.000 4.152) 6.352 3.505 ( -4.237 0.000 -9.002) 9.949 3.711 ( -5.559 0.000 3.368) 6.500 3.789 ( -4.796 0.000 -10.538) 11.578 3.834 ( -1.198 0.000 6.316) 6.428 4.151 ( -5.442 0.000 -2.899) 6.166 4.273 ( -3.287 0.000 3.340) 4.686 4.322 ( 6.613 0.000 5.665) 8.707 4.499 ( -4.586 0.000 9.744) 10.770 4.597 ( -3.052 0.000 -3.589) 4.711 4.662 ( -0.091 0.000 0.460) 0.469 4.848 ( -11.180 0.000 4.782) 12.160 5.066 ( -0.454 0.000 1.132) 1.220 5.370 ( -3.836 0.000 -0.751) 3.909 5.471 ( -1.016 0.000 5.510) 5.603 5.636 ( -6.251 0.000 -8.007) 10.158 5.699 ( -1.135 0.000 3.949) 4.109 5.928 ( 0.531 0.000 -7.106) 7.126 5.950 ( -3.537 0.000 4.597) 5.801 5.969 ( 1.282 0.000 -2.358) 2.684 6.101 ( 3.990 0.000 -1.786) 4.372 6.131 ( 4.134 0.000 -2.509) 4.836 6.431 ( -10.136 0.000 -6.119) 11.840 6.443 ( 8.118 0.000 -12.632) 15.016 6.920 ( 10.702 0.000 11.075) 15.400 7.217 ( 4.370 0.000 1.690) 4.685 7.251 ( 5.633 0.000 -0.273) 5.639 8.028 ( -1.547 0.000 3.374) 3.712 8.120 ( 1.973 0.000 2.808) 3.432 8.767 ( 1.958 0.000 0.422) 2.003 9.058 ( 7.970 0.000 -4.704) 9.255 9.579 ( -12.644 0.000 0.411) 12.651 10.047 ( 3.441 0.000 3.634) 5.005 10.284 ( 1.432 0.000 -5.560) 5.742 10.332 ( 1.566 0.000 -3.788) 4.099 10.526 ( 4.514 0.000 6.912) 8.256 10.562 ( 1.201 0.000 -1.297) 1.768 10.937 ( 2.497 0.000 1.173) 2.759 11.095 ( 3.509 0.000 1.276) 3.734 11.215 ( -6.571 0.000 0.336) 6.579 11.527 ( 0.093 0.000 -0.678) 0.684 12.617 ( -0.066 0.000 2.841) 2.842 12.655 ( -2.056 0.000 -0.694) 2.170 12.685 ( -0.453 0.000 -1.163) 1.248 13.001 ( 6.257 0.000 -1.678) 6.478 16.661 ( -1.700 0.000 -1.413) 2.210 16.705 ( 3.419 0.000 1.107) 3.594 16.714 ( 1.940 0.000 -2.237) 2.961 16.836 ( 3.452 0.000 1.743) 3.868 23.022 ( 0.192 0.000 -0.262) 0.325 23.229 ( 0.710 0.000 6.962) 6.998 23.306 ( 0.111 0.000 1.380) 1.384 23.339 ( -6.760 0.000 -0.480) 6.777 23.705 ( -5.867 0.000 -0.968) 5.946 24.201 ( -11.375 0.000 10.678) 15.602 24.450 ( 11.488 0.000 -9.863) 15.141 25.175 ( 10.326 0.000 1.432) 10.425 25.600 ( -0.438 0.000 2.256) 2.298 25.604 ( -0.632 0.000 -8.791) 8.814 26.466 ( -13.638 0.000 1.772) 13.753 27.373 ( 12.709 0.000 -1.960) 12.859 ======================= Grid point 184 (86/172) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -25.706 0.000 0.717) 25.716 1.264 ( -25.909 0.000 -0.186) 25.909 1.834 ( -20.976 0.000 11.774) 24.055 2.277 ( -10.916 0.000 -1.746) 11.055 2.291 ( -7.563 0.000 3.794) 8.461 2.357 ( -7.762 0.000 -9.404) 12.193 2.631 ( 0.726 0.000 -0.314) 0.790 3.011 ( -13.610 0.000 2.629) 13.861 3.011 ( -8.611 0.000 -4.654) 9.789 3.262 ( -3.134 0.000 -6.203) 6.949 3.293 ( -8.596 0.000 4.602) 9.750 3.454 ( 8.230 0.000 -3.281) 8.860 3.495 ( -1.251 0.000 -5.558) 5.697 3.588 ( 3.526 0.000 -7.709) 8.477 3.751 ( 0.584 0.000 9.412) 9.431 3.897 ( 1.573 0.000 1.385) 2.096 4.111 ( 0.150 0.000 4.055) 4.058 4.229 ( -4.805 0.000 2.524) 5.428 4.440 ( 0.310 0.000 -4.309) 4.320 4.569 ( -2.253 0.000 8.545) 8.837 4.589 ( 3.119 0.000 8.475) 9.031 4.626 ( -7.577 0.000 3.878) 8.512 4.708 ( -11.910 0.000 2.318) 12.134 5.080 ( 0.254 0.000 -3.799) 3.807 5.327 ( -0.671 0.000 -1.694) 1.823 5.367 ( -2.710 0.000 -16.069) 16.296 5.560 ( -0.452 0.000 5.082) 5.102 5.699 ( -2.322 0.000 3.170) 3.929 5.847 ( -0.626 0.000 -4.802) 4.843 5.925 ( -4.953 0.000 1.953) 5.325 5.986 ( 5.414 0.000 -3.840) 6.637 6.109 ( 1.607 0.000 -4.736) 5.002 6.189 ( 4.298 0.000 0.105) 4.300 6.241 ( -6.743 0.000 -1.865) 6.996 6.347 ( -0.575 0.000 -13.253) 13.265 7.184 ( 7.153 0.000 6.155) 9.437 7.356 ( 7.679 0.000 -0.387) 7.689 7.393 ( 10.172 0.000 10.458) 14.589 8.062 ( 1.522 0.000 2.669) 3.072 8.154 ( -0.310 0.000 0.828) 0.884 8.814 ( 3.583 0.000 0.008) 3.583 9.074 ( 1.668 0.000 -7.735) 7.912 9.428 ( -7.659 0.000 4.047) 8.663 10.068 ( -4.180 0.000 1.455) 4.426 10.243 ( 0.945 0.000 -3.915) 4.028 10.315 ( 4.716 0.000 -4.057) 6.221 10.582 ( 1.522 0.000 0.644) 1.653 10.761 ( 9.109 0.000 10.681) 14.038 11.001 ( 4.166 0.000 -0.100) 4.167 11.108 ( -3.075 0.000 -3.258) 4.480 11.182 ( 1.159 0.000 5.090) 5.220 11.484 ( -2.817 0.000 -2.415) 3.711 12.623 ( -1.182 0.000 -0.176) 1.195 12.652 ( -0.280 0.000 2.842) 2.856 12.686 ( 0.242 0.000 1.355) 1.377 13.073 ( 5.818 0.000 -2.073) 6.176 16.626 ( -1.037 0.000 -0.471) 1.139 16.732 ( 2.921 0.000 -1.334) 3.211 16.774 ( 3.747 0.000 0.891) 3.852 16.903 ( 2.678 0.000 1.296) 2.975 22.968 ( -2.404 0.000 -5.444) 5.951 23.212 ( -4.444 0.000 0.739) 4.505 23.295 ( -3.601 0.000 6.912) 7.794 23.420 ( 6.992 0.000 2.435) 7.404 23.583 ( -5.862 0.000 -4.064) 7.133 23.977 ( -13.796 0.000 -5.085) 14.703 24.663 ( 12.934 0.000 3.801) 13.481 25.359 ( 2.468 0.000 7.090) 7.507 25.490 ( 4.736 0.000 -9.752) 10.841 25.611 ( -1.180 0.000 1.711) 2.078 26.296 ( -12.094 0.000 3.726) 12.655 27.512 ( 10.717 0.000 -7.026) 12.814 ======================= Grid point 185 (87/172) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -16.358 0.000 21.756) 27.220 0.916 ( -23.119 0.000 9.688) 25.067 1.643 ( -29.313 0.000 23.231) 37.402 2.027 ( -16.088 0.000 -4.920) 16.824 2.162 ( -2.479 0.000 -8.370) 8.729 2.253 ( -7.135 0.000 8.271) 10.923 2.544 ( -8.297 0.000 -2.589) 8.692 2.827 ( -10.118 0.000 -0.031) 10.118 2.939 ( 0.059 0.000 4.575) 4.575 3.146 ( -1.026 0.000 -7.166) 7.239 3.178 ( -10.406 0.000 2.113) 10.618 3.345 ( -2.918 0.000 -5.995) 6.667 3.521 ( 7.564 0.000 -5.575) 9.396 3.625 ( 5.247 0.000 -5.736) 7.774 3.906 ( -1.455 0.000 0.865) 1.693 3.928 ( 5.719 0.000 9.566) 11.145 4.213 ( -1.861 0.000 3.344) 3.827 4.219 ( 5.067 0.000 5.070) 7.168 4.348 ( -1.587 0.000 -7.109) 7.284 4.509 ( -9.366 0.000 0.421) 9.376 4.556 ( -8.153 0.000 -0.315) 8.159 4.617 ( -6.232 0.000 4.874) 7.911 4.724 ( -1.912 0.000 9.011) 9.211 4.799 ( -10.830 0.000 -18.110) 21.101 5.295 ( 0.824 0.000 -3.994) 4.078 5.322 ( 5.626 0.000 -0.065) 5.627 5.542 ( -1.795 0.000 -7.348) 7.564 5.736 ( -0.746 0.000 5.899) 5.946 5.792 ( -0.491 0.000 -5.573) 5.594 5.867 ( -4.515 0.000 1.842) 4.876 6.018 ( -0.207 0.000 -7.451) 7.453 6.019 ( 1.162 0.000 -2.864) 3.091 6.185 ( -2.726 0.000 1.235) 2.993 6.228 ( 1.197 0.000 2.067) 2.389 6.272 ( 4.476 0.000 2.019) 4.910 7.292 ( 3.334 0.000 -0.727) 3.412 7.456 ( 6.877 0.000 -2.713) 7.393 7.666 ( 5.363 0.000 7.765) 9.437 8.137 ( -1.965 0.000 -0.365) 1.999 8.153 ( 7.764 0.000 0.578) 7.786 8.868 ( 3.491 0.000 -0.673) 3.555 8.930 ( -5.424 0.000 -8.067) 9.721 9.471 ( 2.380 0.000 8.537) 8.863 10.012 ( -5.114 0.000 3.162) 6.012 10.227 ( 0.619 0.000 -0.492) 0.791 10.349 ( 5.427 0.000 -4.999) 7.378 10.621 ( 2.622 0.000 0.076) 2.623 10.994 ( 3.904 0.000 2.117) 4.441 11.047 ( -0.578 0.000 -0.709) 0.914 11.055 ( 5.204 0.000 3.117) 6.066 11.253 ( 0.252 0.000 3.954) 3.962 11.412 ( -2.274 0.000 -1.077) 2.516 12.600 ( -1.018 0.000 -2.136) 2.366 12.666 ( -1.433 0.000 1.537) 2.101 12.721 ( -0.022 0.000 3.950) 3.950 13.131 ( 4.975 0.000 -2.396) 5.522 16.620 ( -0.077 0.000 0.902) 0.905 16.769 ( 2.986 0.000 -0.312) 3.002 16.834 ( 2.960 0.000 0.204) 2.967 16.946 ( 1.398 0.000 0.629) 1.533 22.863 ( -3.309 0.000 -3.137) 4.559 23.149 ( -2.413 0.000 -1.833) 3.030 23.355 ( -0.100 0.000 6.278) 6.279 23.433 ( -6.240 0.000 -4.978) 7.983 23.534 ( 5.641 0.000 -0.383) 5.654 23.719 ( -11.032 0.000 -4.793) 12.029 24.892 ( 9.412 0.000 5.454) 10.878 25.281 ( -3.676 0.000 -5.504) 6.619 25.600 ( -1.889 0.000 0.246) 1.905 25.681 ( 11.708 0.000 8.519) 14.479 26.187 ( -9.316 0.000 6.197) 11.189 27.486 ( 2.058 0.000 -15.913) 16.046 ======================= Grid point 186 (88/172) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -8.073 0.000 22.009) 23.443 0.948 ( -19.041 0.000 20.113) 27.696 1.607 ( -17.596 0.000 38.997) 42.783 1.716 ( -10.956 0.000 -7.889) 13.501 2.082 ( 3.605 0.000 -6.402) 7.347 2.280 ( -4.408 0.000 11.444) 12.264 2.433 ( -1.045 0.000 -1.557) 1.876 2.737 ( -3.503 0.000 2.206) 4.140 2.965 ( -2.663 0.000 -0.967) 2.833 3.048 ( -7.403 0.000 0.806) 7.447 3.101 ( -1.321 0.000 1.332) 1.875 3.301 ( 4.868 0.000 -1.999) 5.262 3.570 ( 5.743 0.000 -4.092) 7.052 3.604 ( 2.378 0.000 -6.690) 7.100 3.886 ( -1.670 0.000 -0.161) 1.678 3.903 ( -16.278 0.000 -9.225) 18.710 4.169 ( -5.354 0.000 1.623) 5.595 4.214 ( -6.610 0.000 -2.769) 7.167 4.350 ( -2.614 0.000 -0.869) 2.755 4.365 ( 8.489 0.000 -0.576) 8.508 4.474 ( -2.229 0.000 0.142) 2.233 4.611 ( 8.653 0.000 6.723) 10.958 4.697 ( -3.329 0.000 4.891) 5.916 4.743 ( -8.048 0.000 8.510) 11.713 5.251 ( 1.642 0.000 -6.834) 7.028 5.269 ( -5.960 0.000 -12.289) 13.658 5.522 ( 10.126 0.000 -0.307) 10.130 5.697 ( -0.560 0.000 -6.863) 6.885 5.758 ( 1.847 0.000 -9.060) 9.247 5.804 ( -2.472 0.000 2.394) 3.441 5.993 ( -2.607 0.000 2.202) 3.413 6.048 ( -0.483 0.000 11.983) 11.993 6.153 ( -1.440 0.000 -0.496) 1.523 6.362 ( 3.976 0.000 1.736) 4.338 6.399 ( 7.499 0.000 7.965) 10.940 7.275 ( -0.240 0.000 -5.416) 5.421 7.488 ( 3.400 0.000 -5.579) 6.534 7.672 ( -5.815 0.000 -4.553) 7.385 8.099 ( -1.697 0.000 -0.518) 1.774 8.248 ( 4.748 0.000 -3.803) 6.083 8.789 ( -1.911 0.000 -4.339) 4.741 8.898 ( 1.921 0.000 -1.482) 2.426 9.631 ( 3.286 0.000 6.944) 7.682 10.002 ( -2.385 0.000 5.141) 5.668 10.259 ( 2.178 0.000 2.312) 3.177 10.351 ( 3.408 0.000 -6.284) 7.149 10.635 ( 1.055 0.000 -3.433) 3.591 10.901 ( -6.077 0.000 -7.370) 9.553 11.096 ( 3.859 0.000 3.813) 5.425 11.226 ( 5.860 0.000 4.609) 7.455 11.276 ( -1.777 0.000 2.520) 3.083 11.410 ( 0.197 0.000 2.107) 2.117 12.530 ( -2.590 0.000 -2.971) 3.941 12.643 ( -2.506 0.000 -0.244) 2.518 12.775 ( -0.572 0.000 5.814) 5.842 13.167 ( 3.553 0.000 -2.745) 4.490 16.643 ( 0.522 0.000 2.250) 2.310 16.814 ( 2.469 0.000 0.650) 2.553 16.865 ( 1.312 0.000 -0.686) 1.481 16.959 ( -0.152 0.000 -0.101) 0.183 22.818 ( -0.026 0.000 0.624) 0.625 23.108 ( -0.709 0.000 -1.138) 1.340 23.292 ( -6.818 0.000 -0.807) 6.866 23.387 ( -2.342 0.000 -0.960) 2.531 23.565 ( -4.614 0.000 2.213) 5.118 23.596 ( 4.625 0.000 -1.346) 4.817 25.087 ( 5.912 0.000 7.363) 9.443 25.229 ( 2.667 0.000 -1.132) 2.897 25.556 ( -2.533 0.000 -1.727) 3.065 25.913 ( 7.294 0.000 0.348) 7.302 26.156 ( -6.003 0.000 8.572) 10.465 27.248 ( -3.760 0.000 -14.893) 15.360 ======================= Grid point 187 (89/172) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -10.812 14.614 11.881) 21.717 1.194 ( 1.436 9.342 18.528) 20.799 1.611 ( 4.818 2.908 -0.524) 5.652 2.013 ( -0.105 7.396 4.637) 8.730 2.160 ( 4.948 0.140 2.331) 5.471 2.403 ( -1.983 4.619 17.467) 18.176 2.508 ( 3.807 -1.010 3.155) 5.047 2.686 ( -1.245 0.381 1.476) 1.969 2.893 ( 0.777 -4.500 -4.670) 6.531 2.915 ( -0.712 -0.520 -2.135) 2.309 3.121 ( -2.508 1.919 4.993) 5.908 3.381 ( 2.642 -2.650 0.253) 3.751 3.435 ( -0.764 -3.663 1.067) 3.891 3.620 ( -2.063 0.391 -2.297) 3.112 3.695 ( 1.545 1.935 -2.718) 3.677 3.832 ( -4.044 -1.394 -4.627) 6.302 4.099 ( -2.716 1.401 0.925) 3.193 4.164 ( -3.072 -2.220 4.649) 5.998 4.273 ( 0.170 -0.349 1.021) 1.092 4.379 ( 2.875 -2.052 0.835) 3.630 4.524 ( 4.029 0.700 -3.604) 5.450 4.532 ( -3.670 -9.490 4.440) 11.101 4.763 ( -4.603 2.179 4.082) 6.527 4.827 ( 3.563 -1.248 5.516) 6.685 5.077 ( -0.504 0.904 -7.534) 7.605 5.166 ( 2.331 -3.739 -6.198) 7.605 5.524 ( 3.262 -3.357 -11.859) 12.750 5.592 ( 0.278 -7.991 -3.516) 8.735 5.765 ( 2.077 5.213 4.241) 7.034 5.830 ( 1.162 0.977 1.933) 2.458 5.929 ( 1.371 1.833 1.250) 2.607 6.130 ( 0.674 -1.944 2.401) 3.162 6.270 ( 0.580 2.114 10.087) 10.323 6.541 ( 3.260 5.920 -1.375) 6.897 6.616 ( 0.959 6.676 -1.534) 6.917 7.206 ( 0.780 0.496 -10.526) 10.566 7.436 ( -3.190 0.897 -5.999) 6.854 7.496 ( -6.380 2.581 -8.933) 11.277 7.982 ( 0.463 -9.212 1.345) 9.321 8.114 ( -1.094 -8.893 -3.819) 9.740 8.767 ( 2.570 0.243 -1.090) 2.802 8.874 ( -0.026 -1.430 -1.880) 2.363 9.730 ( -1.442 2.294 6.455) 7.001 10.040 ( 0.062 -0.870 2.674) 2.812 10.290 ( 0.568 -1.190 -3.048) 3.321 10.369 ( 3.598 0.592 1.524) 3.952 10.557 ( -0.871 -1.125 -2.356) 2.752 10.749 ( -4.549 3.212 -5.240) 7.646 11.162 ( 1.332 -2.727 2.863) 4.172 11.264 ( -3.026 -1.146 2.596) 4.148 11.346 ( 2.237 0.981 2.075) 3.205 11.430 ( -1.444 0.578 1.947) 2.492 12.513 ( 2.735 0.815 -0.335) 2.874 12.604 ( -2.711 0.656 -2.815) 3.963 12.894 ( -0.707 5.567 6.881) 8.879 13.238 ( 1.014 4.471 -2.898) 5.424 16.690 ( 0.771 0.444 3.126) 3.250 16.811 ( 0.936 -2.362 0.997) 2.729 16.898 ( -0.005 1.638 -0.908) 1.873 16.941 ( -1.645 0.114 -0.937) 1.896 22.917 ( 4.132 3.035 2.265) 5.605 23.089 ( -2.053 1.848 -1.856) 3.328 23.183 ( -4.449 -2.037 0.756) 4.951 23.287 ( -3.685 -0.644 -1.989) 4.237 23.603 ( 0.845 2.574 4.239) 5.031 23.756 ( 3.202 8.403 -0.505) 9.007 24.834 ( 2.262 -34.864 15.499) 38.221 25.077 ( 0.892 -14.386 4.224) 15.019 25.389 ( 1.040 4.574 4.883) 6.771 25.865 ( -4.568 -3.047 -4.170) 6.895 26.741 ( -1.793 28.601 -10.954) 30.679 27.162 ( 5.562 4.740 -13.149) 15.043 ======================= Grid point 188 (90/172) ======================= q-point: ( 0.08 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 12.861 11.694 10.773) 20.451 1.430 ( 9.362 6.856 8.434) 14.345 1.844 ( 17.118 -0.441 4.879) 17.806 2.030 ( 4.468 6.320 -5.241) 9.347 2.295 ( 5.981 -2.899 4.948) 8.286 2.548 ( -4.196 -3.382 12.558) 13.665 2.576 ( 3.226 2.687 -8.212) 9.223 2.661 ( -1.264 -3.882 5.874) 7.153 2.877 ( 1.114 -4.862 -1.013) 5.090 2.997 ( 9.702 5.023 3.365) 11.431 3.137 ( -2.118 1.745 3.429) 4.392 3.338 ( -0.842 -4.792 -3.982) 6.287 3.535 ( 3.589 1.690 3.456) 5.262 3.623 ( 4.028 -1.312 -0.760) 4.304 3.678 ( 0.503 -4.182 -1.404) 4.440 3.746 ( -1.852 1.325 -0.591) 2.353 4.054 ( -3.495 0.515 -1.215) 3.736 4.201 ( 1.275 1.525 3.481) 4.008 4.303 ( -0.696 -1.250 2.305) 2.713 4.443 ( 3.022 -2.239 0.150) 3.764 4.490 ( -0.156 1.922 -5.791) 6.104 4.544 ( -0.567 -2.821 6.393) 7.011 4.728 ( -4.330 2.264 3.095) 5.784 4.913 ( 2.808 1.848 0.424) 3.389 5.032 ( 4.695 -0.602 -3.463) 5.865 5.223 ( 8.603 -0.890 -2.839) 9.103 5.415 ( 0.845 0.801 -9.936) 10.004 5.517 ( -1.352 -0.348 -5.047) 5.237 5.786 ( -0.308 6.536 -1.067) 6.630 5.934 ( 1.486 0.492 0.912) 1.812 5.949 ( 2.679 -5.764 3.952) 7.485 6.212 ( 3.599 -1.804 2.633) 4.810 6.409 ( 2.298 1.000 8.194) 8.569 6.510 ( -5.456 2.641 -6.647) 8.996 6.549 ( -1.779 3.256 0.622) 3.762 7.044 ( -5.808 -3.305 -10.733) 12.643 7.321 ( -2.051 0.398 -2.083) 2.950 7.377 ( -0.356 0.851 -3.405) 3.528 8.003 ( 0.174 -7.836 0.881) 7.887 8.062 ( -1.295 -9.371 -1.781) 9.627 8.811 ( 4.273 0.693 -1.287) 4.516 8.854 ( 0.652 0.587 -2.477) 2.628 9.772 ( -3.387 1.856 7.515) 8.449 10.023 ( -2.412 -2.044 -3.824) 4.962 10.317 ( 4.246 -1.416 2.696) 5.225 10.405 ( 0.098 -3.361 -3.332) 4.734 10.553 ( 1.936 4.616 2.917) 5.793 10.648 ( -0.759 5.506 -3.764) 6.713 11.202 ( -0.445 -3.671 2.263) 4.336 11.243 ( -3.951 -3.051 1.946) 5.357 11.325 ( -6.936 1.778 1.967) 7.425 11.430 ( -0.206 0.987 0.324) 1.059 12.538 ( -1.598 0.487 -2.240) 2.795 12.573 ( 4.397 -0.164 0.482) 4.426 12.955 ( -1.878 5.939 6.456) 8.971 13.191 ( -1.637 4.109 -3.831) 5.851 16.737 ( 0.310 0.503 3.121) 3.177 16.808 ( -1.540 -0.764 -1.038) 2.008 16.890 ( -2.314 0.007 -1.135) 2.578 16.895 ( -0.622 0.123 0.727) 0.965 23.011 ( -0.923 1.756 -1.623) 2.564 23.038 ( 2.945 1.551 0.429) 3.356 23.147 ( -2.914 -1.553 2.662) 4.241 23.238 ( -0.046 0.350 0.745) 0.825 23.633 ( -1.069 4.505 0.352) 4.644 23.807 ( 4.045 7.405 -0.236) 8.441 24.992 ( 0.829 -20.270 5.769) 21.091 25.117 ( -1.998 -23.147 3.660) 23.519 25.443 ( -2.155 5.782 3.388) 7.040 25.831 ( 7.326 -1.681 -2.223) 7.838 26.591 ( -7.413 19.121 -0.860) 20.526 27.088 ( 5.392 4.936 -14.024) 15.815 ======================= Grid point 189 (91/172) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 21.096 7.653 7.974) 23.816 1.700 ( 13.781 4.014 6.021) 15.565 2.023 ( 8.009 8.785 -5.927) 13.284 2.166 ( 15.661 -1.160 -1.945) 15.824 2.397 ( 0.786 -4.426 -3.861) 5.926 2.506 ( 5.259 6.196 -4.192) 9.144 2.611 ( -3.113 -5.401 8.651) 10.663 2.721 ( 0.587 -5.294 4.068) 6.702 2.943 ( 1.135 -4.504 5.810) 7.439 3.101 ( -1.048 5.802 5.316) 7.938 3.233 ( 2.893 -9.168 -7.147) 11.980 3.297 ( 12.221 1.406 -0.856) 12.332 3.540 ( 0.189 3.965 -5.357) 6.667 3.666 ( 2.179 -0.944 -2.958) 3.793 3.720 ( 1.006 -1.230 6.076) 6.281 3.810 ( 6.141 -6.330 3.699) 9.564 3.972 ( -2.621 -1.135 -3.061) 4.187 4.207 ( -1.846 0.731 -4.901) 5.288 4.311 ( -1.071 -1.126 1.691) 2.296 4.424 ( 5.084 0.878 -2.498) 5.732 4.519 ( 3.439 -0.688 2.904) 4.554 4.677 ( 4.378 6.355 6.330) 9.981 4.714 ( -2.775 1.454 3.659) 4.817 4.940 ( 1.654 6.094 -0.922) 6.382 5.121 ( 9.025 -0.319 -0.671) 9.055 5.213 ( -7.087 7.813 -1.283) 10.627 5.402 ( 9.903 0.885 -6.502) 11.880 5.497 ( 4.735 -0.555 -0.997) 4.871 5.796 ( 2.384 1.614 0.413) 2.909 5.899 ( -3.347 0.552 -1.486) 3.704 6.027 ( 0.753 -4.862 0.362) 4.933 6.213 ( 0.384 -1.087 -6.725) 6.824 6.363 ( -2.508 -0.280 -5.577) 6.121 6.445 ( -3.882 -0.228 -2.305) 4.520 6.632 ( 1.063 -3.790 15.482) 15.974 6.830 ( -6.061 -4.302 -7.550) 10.595 7.299 ( -0.951 0.268 0.366) 1.053 7.389 ( 1.736 0.573 3.206) 3.691 7.997 ( -2.232 -7.187 0.177) 7.528 8.029 ( -1.418 -8.491 -0.366) 8.616 8.829 ( 1.822 3.207 -3.784) 5.284 8.863 ( 3.313 1.768 -1.228) 3.951 9.805 ( -4.375 -0.108 7.452) 8.642 9.900 ( -5.409 -1.000 -4.774) 7.283 10.332 ( -2.843 0.245 -2.324) 3.680 10.464 ( 7.779 -2.270 2.913) 8.610 10.566 ( 2.246 4.076 -5.329) 7.075 10.707 ( 4.891 3.405 5.163) 7.885 11.127 ( -8.007 -1.901 -2.709) 8.664 11.215 ( -2.287 -2.205 1.451) 3.493 11.259 ( -7.070 0.807 5.566) 9.034 11.417 ( -0.782 -0.206 -1.078) 1.348 12.509 ( 0.506 0.319 -0.892) 1.074 12.650 ( 4.153 -1.221 0.961) 4.434 12.982 ( -3.342 5.310 4.608) 7.784 13.106 ( -2.870 3.125 -4.191) 5.964 16.750 ( -2.764 -0.259 -1.470) 3.141 16.766 ( -1.029 -0.280 0.779) 1.320 16.831 ( -2.739 0.774 -0.530) 2.895 16.907 ( -0.761 -0.486 1.789) 2.004 22.943 ( -1.758 3.049 -3.421) 4.909 23.046 ( -3.069 0.259 0.922) 3.215 23.151 ( -2.621 -0.932 4.778) 5.529 23.324 ( 5.885 -2.578 1.383) 6.572 23.585 ( -2.289 6.235 -2.329) 7.038 23.877 ( 5.273 9.248 -0.260) 10.648 25.015 ( -3.249 -10.445 1.427) 11.032 25.091 ( -2.476 -21.687 0.151) 21.828 25.445 ( 1.428 2.878 -0.463) 3.246 25.988 ( 8.799 2.890 2.920) 9.711 26.491 ( -6.333 5.518 2.248) 8.695 27.016 ( 4.108 5.296 -9.377) 11.526 ======================= Grid point 190 (92/172) ======================= q-point: ( 0.25 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 15.303 6.971 -3.845) 17.249 1.980 ( 13.649 4.325 4.440) 14.990 2.130 ( 6.321 5.920 3.883) 9.492 2.231 ( 4.101 3.756 -11.145) 12.455 2.371 ( 3.910 -2.539 -4.301) 6.342 2.597 ( 3.529 -0.329 3.703) 5.125 2.654 ( 3.199 -0.155 3.399) 4.670 2.817 ( 3.874 -0.787 2.400) 4.625 2.989 ( -2.590 -2.571 6.271) 7.256 3.130 ( -0.361 -2.785 -2.970) 4.088 3.208 ( 6.991 -3.883 -5.277) 9.581 3.416 ( 2.406 1.255 -1.237) 2.982 3.536 ( 5.754 -0.253 -3.341) 6.659 3.707 ( 11.637 -2.425 -6.452) 13.525 3.756 ( -5.101 1.781 5.421) 7.653 3.886 ( -0.251 -6.867 -2.371) 7.269 3.950 ( 3.188 -3.058 -2.292) 4.977 4.130 ( -0.755 1.027 -0.249) 1.299 4.345 ( 4.415 1.074 1.646) 4.833 4.536 ( 8.169 -0.588 0.943) 8.244 4.642 ( 5.985 -0.282 5.037) 7.828 4.705 ( -2.297 -0.465 1.465) 2.764 4.769 ( 1.214 10.716 0.651) 10.804 5.000 ( 3.567 4.637 5.452) 7.997 5.089 ( -4.386 8.949 2.166) 10.199 5.289 ( 8.355 -0.181 1.537) 8.497 5.454 ( 5.610 -2.420 -6.070) 8.612 5.626 ( 10.079 -0.356 0.711) 10.110 5.774 ( -3.672 1.624 -5.397) 6.727 5.870 ( 4.229 -3.243 -0.928) 5.410 6.020 ( -1.460 0.116 2.712) 3.082 6.158 ( -1.071 -2.803 -2.135) 3.682 6.229 ( -3.278 -1.972 -8.184) 9.034 6.362 ( -3.273 -1.603 -1.893) 4.106 6.624 ( -4.763 -3.554 -8.086) 10.035 6.882 ( 1.792 -4.610 14.956) 15.752 7.280 ( -1.965 1.268 0.322) 2.361 7.483 ( 1.095 0.704 7.617) 7.728 7.918 ( -6.612 -6.549 -2.569) 9.655 8.009 ( -2.219 -7.364 1.597) 7.855 8.826 ( 2.091 5.634 -1.116) 6.112 8.890 ( 3.057 2.727 -2.658) 4.883 9.721 ( -6.589 -1.027 -4.194) 7.877 9.854 ( -4.575 -1.081 7.665) 8.992 10.267 ( -3.446 3.388 -0.646) 4.875 10.501 ( 4.003 1.785 -8.540) 9.599 10.642 ( 6.657 -1.235 1.470) 6.928 10.823 ( 2.610 -0.444 2.560) 3.683 10.991 ( -5.019 -0.400 -0.180) 5.038 11.165 ( -4.993 -1.847 -1.017) 5.420 11.235 ( -3.904 1.166 5.978) 7.234 11.390 ( -1.167 -0.355 -0.845) 1.484 12.534 ( 2.705 -0.071 0.615) 2.775 12.718 ( 2.966 -1.880 0.795) 3.600 12.950 ( -4.739 2.880 0.222) 5.551 13.019 ( -2.939 3.164 -2.246) 4.867 16.686 ( -2.612 -0.431 -1.492) 3.039 16.724 ( -2.885 -1.484 -1.615) 3.624 16.811 ( -1.273 1.806 1.109) 2.472 16.908 ( -1.608 -0.341 1.384) 2.149 22.887 ( -1.109 3.308 -1.904) 3.974 23.009 ( -3.439 0.764 2.201) 4.154 23.181 ( -3.042 -0.842 7.596) 8.226 23.329 ( -3.843 -1.559 -2.819) 5.015 23.583 ( 4.117 2.308 -0.399) 4.736 23.960 ( 6.547 12.574 -1.746) 14.283 24.926 ( -5.750 -18.276 -2.037) 19.268 25.110 ( 3.852 -4.377 0.267) 5.837 25.463 ( 1.800 -0.916 -1.499) 2.515 26.083 ( -1.546 16.835 1.794) 17.001 26.475 ( 1.929 -13.771 1.768) 14.017 27.004 ( 3.389 4.859 -2.799) 6.552 ======================= Grid point 191 (93/172) ======================= q-point: ( 0.33 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 10.724 2.478 -10.995) 15.557 2.171 ( 9.127 8.237 -9.812) 15.730 2.218 ( 5.059 4.660 2.795) 7.425 2.251 ( 5.377 5.001 7.060) 10.186 2.366 ( -1.364 2.106 -1.028) 2.711 2.628 ( -3.146 1.605 6.665) 7.543 2.798 ( 6.256 -2.527 0.176) 6.750 2.849 ( 0.744 0.014 -2.696) 2.797 2.986 ( -3.014 1.760 -3.323) 4.819 3.182 ( 8.136 -5.125 4.710) 10.707 3.219 ( 4.591 -0.281 -5.361) 7.064 3.465 ( 2.758 -2.789 -1.116) 4.078 3.568 ( 5.144 -3.330 -2.913) 6.785 3.720 ( -5.923 0.977 3.925) 7.172 3.825 ( 12.541 -1.772 -7.668) 14.806 3.828 ( -1.750 -6.976 -1.941) 7.450 3.967 ( 2.809 -1.153 -0.704) 3.117 4.179 ( 2.268 7.264 4.887) 9.044 4.440 ( 2.671 1.308 1.717) 3.434 4.616 ( 0.962 2.458 -0.502) 2.686 4.637 ( -5.031 -1.107 1.418) 5.343 4.787 ( 3.564 0.073 1.772) 3.981 4.889 ( 11.131 1.965 4.165) 12.046 5.127 ( 4.092 1.616 1.431) 4.627 5.142 ( 1.073 3.823 10.251) 10.993 5.357 ( 5.553 -4.245 -7.465) 10.227 5.488 ( 4.585 -2.474 1.464) 5.412 5.661 ( 0.482 2.890 -4.915) 5.722 5.798 ( 7.489 1.306 0.063) 7.602 5.907 ( -0.023 -3.020 1.225) 3.259 6.072 ( -1.836 -6.822 -5.734) 9.099 6.075 ( 1.962 1.572 3.074) 3.971 6.148 ( -1.029 1.888 0.384) 2.184 6.290 ( -0.802 0.581 -5.390) 5.481 6.461 ( -4.435 -1.337 -5.736) 7.373 7.039 ( -0.666 -6.749 8.443) 10.829 7.250 ( -1.867 1.549 -0.326) 2.448 7.590 ( 0.182 0.260 8.135) 8.141 7.730 ( -10.760 -4.335 -4.886) 12.587 7.996 ( -2.838 -5.859 2.901) 7.127 8.863 ( 1.589 6.952 1.501) 7.288 8.899 ( 2.609 3.822 -2.761) 5.389 9.592 ( -3.950 -1.143 -2.225) 4.675 9.867 ( -5.149 -2.988 6.719) 8.977 10.207 ( -3.463 5.112 0.039) 6.175 10.465 ( 4.004 1.454 -7.950) 9.020 10.685 ( 1.006 -0.173 -3.900) 4.032 10.876 ( 1.653 -3.643 2.894) 4.938 10.958 ( -2.398 -1.981 -0.975) 3.260 11.075 ( -1.182 -0.354 -2.263) 2.578 11.275 ( -1.308 1.322 6.602) 6.859 11.354 ( -2.574 0.525 -0.637) 2.703 12.597 ( 3.667 -0.088 1.181) 3.854 12.752 ( 0.999 -2.305 -0.752) 2.622 12.867 ( -3.835 0.618 -1.204) 4.067 12.950 ( -3.162 2.795 -1.921) 4.637 16.641 ( -1.635 -0.783 -0.460) 1.870 16.665 ( -1.905 -1.288 -1.405) 2.695 16.797 ( -1.342 1.701 -0.149) 2.171 16.889 ( -2.232 -0.181 0.509) 2.297 22.869 ( -0.147 3.352 0.665) 3.421 23.007 ( -2.117 1.485 4.625) 5.299 23.217 ( -4.554 -0.332 4.446) 6.373 23.252 ( -3.264 0.095 5.941) 6.780 23.642 ( 3.851 -1.756 -1.011) 4.352 24.020 ( 5.630 13.867 -4.653) 15.673 24.817 ( -3.194 -17.993 -4.235) 18.758 25.183 ( 4.041 -0.631 -0.256) 4.098 25.462 ( 0.838 -0.087 -1.385) 1.621 26.019 ( -5.596 19.450 -0.475) 20.244 26.563 ( 5.625 -18.193 1.278) 19.086 27.032 ( 1.455 2.460 0.056) 2.859 ======================= Grid point 192 (94/172) ======================= q-point: ( 0.42 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 3.534 -1.775 -7.692) 8.649 2.207 ( -2.416 3.666 -2.021) 4.834 2.265 ( 11.568 5.985 -5.877) 14.289 2.332 ( -1.366 4.001 2.220) 4.775 2.485 ( 10.582 8.226 4.825) 14.245 2.652 ( -2.191 -2.951 3.890) 5.351 2.788 ( -3.124 2.474 -3.170) 5.092 2.816 ( 0.583 1.119 -7.255) 7.364 2.951 ( 0.471 -1.337 6.618) 6.768 3.237 ( 4.219 1.826 -4.659) 6.546 3.348 ( 4.591 -3.219 1.583) 5.827 3.418 ( -2.661 -4.849 -3.585) 6.592 3.618 ( -0.734 -2.078 -3.043) 3.758 3.704 ( 1.840 -2.757 3.789) 5.034 3.801 ( 3.399 -5.700 -2.589) 7.124 3.937 ( 5.974 -0.039 2.601) 6.516 4.021 ( 2.566 -1.344 1.532) 3.277 4.287 ( 1.019 10.040 5.290) 11.394 4.430 ( -0.852 3.132 -1.307) 3.499 4.605 ( -0.485 4.784 -0.669) 4.855 4.646 ( 2.139 -3.925 1.583) 4.742 4.798 ( -3.297 0.190 -1.734) 3.731 5.023 ( 1.698 -2.230 2.240) 3.587 5.145 ( -3.656 -1.980 0.321) 4.170 5.286 ( 8.819 -2.661 3.311) 9.789 5.464 ( 11.278 0.175 1.715) 11.409 5.600 ( 5.656 3.861 -2.515) 7.295 5.631 ( -0.310 -1.855 2.363) 3.020 5.841 ( -0.603 3.633 -0.014) 3.683 5.885 ( -5.176 0.185 2.514) 5.757 6.030 ( 5.736 -5.764 -5.624) 9.887 6.099 ( -1.923 3.155 -1.604) 4.028 6.198 ( 4.466 -0.522 2.248) 5.027 6.213 ( -0.420 1.078 -4.421) 4.570 6.387 ( -0.152 -3.770 -0.387) 3.793 7.043 ( -5.839 -7.423 0.547) 9.460 7.215 ( -1.190 0.829 -1.503) 2.089 7.458 ( -9.390 -2.193 -8.624) 12.937 7.732 ( 1.096 0.354 10.229) 10.294 7.990 ( -2.960 -4.380 3.562) 6.374 8.887 ( -1.122 8.263 1.572) 8.486 8.913 ( 3.468 4.665 -2.530) 6.340 9.569 ( 1.528 -3.277 1.811) 4.043 9.852 ( -5.564 -4.673 4.861) 8.742 10.175 ( -1.567 5.381 1.366) 5.769 10.429 ( 2.459 2.093 -6.801) 7.529 10.641 ( 0.213 -0.474 -3.678) 3.714 10.839 ( -4.504 -0.700 -6.382) 7.842 10.930 ( 1.468 -3.792 1.288) 4.265 11.098 ( 2.817 0.043 -1.118) 3.031 11.302 ( -2.149 0.008 0.409) 2.187 11.327 ( -2.110 0.441 5.479) 5.888 12.652 ( 0.935 1.258 0.047) 1.568 12.733 ( 0.769 -3.210 -2.346) 4.050 12.820 ( -2.931 -0.431 0.756) 3.057 12.881 ( -0.923 1.799 -3.415) 3.968 16.618 ( -1.044 -0.848 0.125) 1.351 16.647 ( 0.846 -0.932 -0.029) 1.259 16.767 ( -1.126 1.452 -1.465) 2.350 16.851 ( -2.625 -0.124 -0.601) 2.696 22.902 ( 1.401 3.452 3.411) 5.051 23.023 ( -4.008 3.059 5.011) 7.109 23.243 ( 0.220 -2.358 7.331) 7.704 23.319 ( -1.982 0.022 10.678) 10.861 23.679 ( 2.175 -1.911 -0.099) 2.897 24.019 ( 3.119 12.923 -6.849) 14.955 24.731 ( -0.713 -16.638 -5.228) 17.455 25.165 ( -1.780 -1.768 -6.786) 7.235 25.495 ( 3.010 4.906 2.557) 6.298 25.938 ( -2.711 15.850 -1.837) 16.185 26.660 ( 3.290 -15.888 2.826) 16.469 27.033 ( 0.145 0.200 -1.950) 1.965 ======================= Grid point 193 (95/172) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -7.321 -2.309 -1.286) 7.783 2.180 ( 0.531 -1.362 -1.371) 2.004 2.292 ( -5.329 2.656 -5.836) 8.337 2.338 ( 6.029 -1.045 -1.609) 6.327 2.618 ( -3.825 0.598 -1.206) 4.055 2.638 ( -0.566 4.815 -1.745) 5.153 2.759 ( 4.778 -3.244 2.220) 6.187 2.821 ( 10.318 0.553 -0.092) 10.333 3.072 ( -0.801 -1.273 10.508) 10.615 3.183 ( -4.246 2.709 -3.137) 5.933 3.331 ( 3.342 4.014 -9.262) 10.633 3.378 ( -0.629 0.805 -2.856) 3.033 3.549 ( -3.912 -7.747 1.992) 8.905 3.740 ( 3.811 -3.227 -5.457) 7.396 3.931 ( 8.540 -0.488 5.120) 9.969 4.038 ( 1.195 1.488 1.617) 2.502 4.063 ( -3.808 0.527 6.769) 7.784 4.251 ( -6.431 5.685 2.233) 8.869 4.443 ( -2.390 -1.652 -1.150) 3.124 4.628 ( 5.788 8.266 0.516) 10.104 4.675 ( -3.346 -2.717 -3.517) 5.563 4.691 ( -1.599 6.197 0.539) 6.423 5.021 ( -4.129 -4.029 -0.609) 5.802 5.096 ( -3.890 -4.596 2.009) 6.348 5.467 ( 4.562 1.439 7.414) 8.823 5.542 ( -1.961 4.273 -2.225) 5.202 5.605 ( -0.609 0.539 1.924) 2.089 5.685 ( 6.414 2.171 -3.551) 7.646 5.867 ( 0.383 -0.073 2.868) 2.894 5.912 ( 4.030 3.167 5.906) 7.820 6.012 ( -0.411 0.004 -5.238) 5.254 6.061 ( 0.461 -1.916 -1.608) 2.544 6.149 ( -0.965 -0.353 -4.405) 4.523 6.296 ( 5.280 -6.162 -0.943) 8.169 6.436 ( 4.607 -4.167 3.110) 6.947 6.877 ( -11.046 -6.640 -5.047) 13.841 7.180 ( -0.282 0.009 -2.086) 2.105 7.266 ( -3.258 -0.340 -6.091) 6.916 7.876 ( 2.996 -1.056 7.814) 8.435 7.988 ( -2.715 -3.275 3.563) 5.549 8.867 ( -2.822 8.990 0.965) 9.472 8.959 ( 6.498 5.137 -2.787) 8.740 9.670 ( 5.568 -5.387 4.798) 9.113 9.804 ( -7.077 -5.963 3.147) 9.774 10.194 ( 1.110 4.611 2.629) 5.423 10.383 ( 1.272 2.401 -5.442) 6.082 10.607 ( 0.430 0.264 -4.078) 4.109 10.704 ( -1.393 0.142 -6.799) 6.942 10.968 ( 1.628 -1.641 0.738) 2.426 11.044 ( -4.183 1.986 -3.982) 6.107 11.321 ( -3.629 -1.666 3.985) 5.641 11.362 ( 3.290 -2.246 3.198) 5.108 12.623 ( -2.092 0.523 -0.643) 2.250 12.731 ( -0.054 -1.648 -2.198) 2.748 12.781 ( -1.751 0.140 -0.232) 1.772 12.861 ( 3.239 0.267 -2.602) 4.163 16.620 ( 0.687 -0.135 0.662) 0.964 16.683 ( 2.564 -0.927 1.279) 3.011 16.732 ( -0.451 0.980 -2.322) 2.561 16.796 ( -2.657 -0.126 -1.636) 3.123 22.992 ( 2.989 3.656 5.793) 7.474 23.017 ( -3.478 3.259 4.598) 6.622 23.311 ( -4.689 -2.148 8.755) 10.161 23.454 ( 2.688 -2.533 6.519) 7.492 23.739 ( 3.171 0.035 6.328) 7.078 23.961 ( -0.224 10.685 -6.397) 12.456 24.663 ( -0.692 -15.068 -5.541) 16.069 25.010 ( -1.944 -2.706 -11.525) 11.997 25.584 ( 2.002 7.463 4.316) 8.851 25.891 ( 0.653 12.932 -3.347) 13.374 26.700 ( -5.316 -11.269 4.685) 13.312 27.027 ( 5.807 -2.770 -4.253) 7.712 ======================= Grid point 194 (96/172) ======================= q-point: (-0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -11.994 -3.020 2.152) 12.554 1.993 ( -19.875 -0.061 -8.102) 21.463 2.155 ( -2.149 -4.904 -1.375) 5.528 2.450 ( 6.788 -5.823 0.022) 8.943 2.481 ( -7.475 0.726 -2.234) 7.835 2.568 ( -1.646 1.433 -4.929) 5.390 2.939 ( 3.781 2.154 5.389) 6.926 2.960 ( 2.655 -8.507 -3.337) 9.516 3.034 ( -1.462 0.881 4.224) 4.556 3.223 ( 0.131 3.773 2.025) 4.284 3.274 ( 5.479 3.808 -3.471) 7.521 3.346 ( 1.226 7.374 -1.225) 7.575 3.550 ( -0.320 -8.351 1.622) 8.513 3.714 ( 2.617 -2.186 -7.687) 8.410 3.978 ( -5.688 3.943 -2.224) 7.270 3.992 ( -12.262 5.423 6.250) 14.793 4.136 ( 4.094 -0.164 4.532) 6.109 4.225 ( -2.215 0.680 0.111) 2.320 4.361 ( -1.838 0.369 0.898) 2.079 4.544 ( -9.641 2.372 2.871) 10.335 4.689 ( 0.057 2.164 -1.566) 2.672 4.732 ( 4.770 9.308 -1.504) 10.567 4.930 ( -7.373 -1.752 1.371) 7.701 5.038 ( -5.238 -5.170 2.670) 7.829 5.476 ( -1.639 3.782 -2.262) 4.702 5.536 ( -6.557 4.728 2.082) 8.348 5.623 ( -0.719 0.291 8.785) 8.819 5.764 ( 5.199 2.280 -2.486) 6.197 5.929 ( -0.781 0.081 1.262) 1.486 5.949 ( 1.746 -2.432 -3.948) 4.955 6.008 ( -0.883 0.531 0.553) 1.170 6.034 ( 1.581 0.983 1.357) 2.304 6.099 ( 2.560 -2.881 -5.769) 6.938 6.347 ( 8.476 -7.460 -6.483) 13.020 6.603 ( 5.908 -4.500 6.664) 9.978 6.628 ( -9.336 -5.192 -5.032) 11.808 7.168 ( 1.438 -0.356 -1.095) 1.842 7.206 ( 2.028 -0.138 -2.728) 3.402 7.989 ( -2.313 -2.722 3.238) 4.821 7.999 ( 3.035 -2.478 4.667) 6.093 8.841 ( -1.076 8.155 0.218) 8.229 9.043 ( 8.401 6.105 -2.851) 10.769 9.693 ( -9.746 -5.878 1.076) 11.432 9.836 ( 6.869 -6.218 5.043) 10.549 10.275 ( 3.752 2.990 3.771) 6.102 10.340 ( 1.203 1.642 -4.559) 4.993 10.540 ( -1.004 0.516 -4.256) 4.403 10.645 ( 0.831 3.471 -5.438) 6.505 10.927 ( -3.451 0.734 -0.554) 3.572 11.027 ( 3.247 -0.628 0.224) 3.315 11.273 ( -6.626 -2.273 2.338) 7.385 11.459 ( 3.570 -3.126 2.092) 5.186 12.603 ( -0.813 0.445 1.453) 1.723 12.689 ( -1.152 -0.766 -1.748) 2.229 12.741 ( -1.697 1.318 -2.041) 2.963 12.911 ( 5.670 -1.126 -1.736) 6.035 16.653 ( 2.076 0.476 0.992) 2.349 16.702 ( -0.023 0.497 -2.119) 2.177 16.731 ( -0.814 -0.623 -1.637) 1.932 16.756 ( 2.858 -0.366 1.134) 3.097 23.028 ( -1.705 2.607 4.141) 5.182 23.126 ( 4.379 3.823 6.349) 8.608 23.318 ( -5.781 -0.869 6.355) 8.635 23.472 ( -2.935 -0.338 -1.052) 3.136 23.853 ( -3.310 6.517 -3.571) 8.135 23.972 ( 6.308 -1.026 13.782) 15.192 24.532 ( -4.914 -9.169 -9.763) 14.266 24.898 ( 4.186 -10.550 -9.089) 14.541 25.630 ( -2.525 7.196 3.003) 8.196 25.890 ( 5.226 14.426 -3.432) 15.723 26.601 ( -11.669 -5.553 2.515) 13.165 27.132 ( 11.645 -5.969 -1.994) 13.237 ======================= Grid point 195 (97/172) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -23.391 -4.626 -7.318) 24.942 1.584 ( -17.679 2.330 2.945) 18.073 2.100 ( -5.418 -1.338 1.640) 5.816 2.322 ( -11.016 4.024 1.339) 11.804 2.457 ( -3.437 -1.105 -4.182) 5.525 2.558 ( 0.997 -3.744 2.579) 4.655 2.766 ( -7.895 8.610 -8.240) 14.295 3.011 ( -4.830 -5.889 2.080) 7.895 3.113 ( 0.952 -3.705 -1.447) 4.090 3.245 ( 7.392 -2.104 1.873) 7.911 3.344 ( -1.808 3.040 1.600) 3.882 3.444 ( 5.888 6.878 3.881) 9.851 3.508 ( -4.620 -2.208 -3.214) 6.045 3.645 ( 2.064 -2.493 -7.310) 7.995 3.778 ( -11.128 -1.048 -5.387) 12.408 3.939 ( -3.212 7.199 5.369) 9.538 4.083 ( -8.038 -7.168 0.570) 10.786 4.263 ( 3.618 -1.371 3.186) 5.012 4.363 ( -5.112 5.837 1.013) 7.825 4.524 ( -1.957 1.952 8.645) 9.076 4.657 ( -2.818 3.523 0.207) 4.516 4.711 ( -2.772 4.939 -2.265) 6.100 4.829 ( -10.170 -1.310 4.186) 11.075 5.048 ( 1.858 -1.264 2.170) 3.124 5.390 ( -4.377 1.450 -3.209) 5.618 5.515 ( -1.458 3.645 4.204) 5.752 5.603 ( -5.997 -1.961 -6.250) 8.881 5.744 ( -3.791 0.321 -0.039) 3.805 5.872 ( -1.690 -0.689 -2.244) 2.892 5.960 ( 0.559 -0.863 -0.081) 1.031 6.005 ( 1.567 3.297 0.118) 3.652 6.065 ( 2.219 -4.229 -4.883) 6.830 6.116 ( 3.709 -0.207 0.424) 3.739 6.360 ( -4.917 -4.606 -7.434) 10.033 6.437 ( 5.133 -1.809 -5.741) 7.910 6.868 ( 10.530 -4.664 10.919) 15.870 7.210 ( 4.239 -0.517 1.524) 4.534 7.255 ( 6.335 0.061 -0.530) 6.357 7.992 ( -1.556 -2.798 2.496) 4.060 8.080 ( 1.981 -3.659 2.268) 4.739 8.844 ( 1.381 6.859 -0.144) 6.998 9.134 ( 7.670 6.601 -4.185) 10.951 9.537 ( -10.719 -3.577 0.863) 11.333 9.986 ( 5.146 -5.691 3.414) 8.398 10.256 ( -1.228 -0.013 -4.808) 4.963 10.420 ( 5.000 5.118 -0.988) 7.223 10.523 ( 1.973 -0.582 3.957) 4.460 10.587 ( 0.159 2.409 -2.491) 3.469 10.924 ( 2.066 -1.129 0.721) 2.462 11.083 ( 2.852 -1.647 -0.156) 3.297 11.191 ( -6.073 -0.955 2.475) 6.627 11.504 ( 0.510 -2.265 -0.076) 2.323 12.626 ( -0.046 0.913 1.834) 2.050 12.662 ( -0.628 0.372 -0.200) 0.757 12.698 ( -0.686 1.422 -0.689) 1.723 12.979 ( 5.856 -2.092 -2.032) 6.542 16.660 ( -1.439 -0.076 -1.633) 2.178 16.687 ( 1.268 -0.923 -1.149) 1.944 16.736 ( 3.604 1.382 0.186) 3.864 16.832 ( 3.582 -0.424 1.800) 4.031 23.053 ( 0.366 2.659 0.935) 2.842 23.237 ( -1.216 1.790 3.481) 4.099 23.296 ( -2.223 -0.160 2.528) 3.370 23.418 ( -3.047 5.123 4.114) 7.243 23.735 ( -5.101 3.509 -4.284) 7.529 24.162 ( -10.464 -3.431 9.238) 14.374 24.380 ( 10.365 -6.454 -9.545) 15.499 24.888 ( 1.720 -19.674 -2.560) 19.914 25.574 ( -5.781 5.764 -0.746) 8.197 25.986 ( 9.857 19.085 -0.242) 21.482 26.436 ( -11.277 -1.689 0.943) 11.441 27.309 ( 13.055 -6.069 -1.763) 14.504 ======================= Grid point 196 (98/172) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -20.854 4.892 4.212) 21.830 1.333 ( -21.637 7.004 5.347) 23.362 2.007 ( -11.855 7.940 4.306) 14.904 2.180 ( -12.636 1.641 6.682) 14.387 2.335 ( -6.735 1.590 -2.424) 7.333 2.487 ( -8.718 4.025 -7.382) 12.112 2.642 ( -0.526 3.032 2.083) 3.716 2.923 ( -10.517 -2.709 1.376) 10.947 3.030 ( -5.064 -0.724 -5.123) 7.240 3.232 ( -8.742 -1.540 -1.752) 9.048 3.290 ( -5.518 -2.620 -1.324) 6.250 3.449 ( -0.691 -2.347 -0.955) 2.626 3.487 ( -1.158 1.312 -5.795) 6.054 3.565 ( 4.879 -0.805 -6.148) 7.890 3.719 ( 4.404 -0.099 3.264) 5.482 3.983 ( 1.150 1.223 1.758) 2.431 4.074 ( 2.191 -4.281 6.697) 8.245 4.227 ( -7.047 1.938 0.431) 7.321 4.391 ( 1.248 -3.096 3.834) 5.084 4.532 ( -7.907 -3.251 4.116) 9.488 4.619 ( -5.280 2.658 3.946) 7.108 4.678 ( 0.578 3.260 0.222) 3.318 4.701 ( -10.930 0.288 3.517) 11.486 5.078 ( -2.202 -0.400 -3.622) 4.258 5.292 ( -3.575 -2.887 -3.410) 5.722 5.337 ( -3.635 -4.130 -13.228) 14.327 5.575 ( -2.150 -0.017 1.716) 2.751 5.698 ( -3.560 -2.110 6.194) 7.449 5.803 ( -2.939 1.910 -3.761) 5.141 5.944 ( -0.923 0.174 -2.199) 2.391 5.996 ( -1.142 -2.180 -6.445) 6.899 6.072 ( 4.057 1.405 0.076) 4.294 6.156 ( 0.853 -1.081 -0.149) 1.385 6.242 ( -1.968 0.875 2.260) 3.122 6.451 ( 6.701 6.072 -10.082) 13.543 7.147 ( 9.399 -3.271 6.867) 12.091 7.348 ( 7.916 -1.103 3.532) 8.738 7.385 ( 9.336 -0.941 3.993) 10.198 7.997 ( -0.713 -4.393 0.888) 4.538 8.120 ( 1.561 -3.713 0.378) 4.045 8.876 ( 2.941 5.238 -0.650) 6.042 9.127 ( -1.279 3.781 -7.446) 8.448 9.443 ( -3.524 2.216 4.543) 6.162 10.051 ( -1.620 -2.420 2.007) 3.536 10.210 ( 2.205 -0.705 -2.638) 3.510 10.397 ( 0.884 5.677 -4.971) 7.597 10.559 ( 0.390 -2.418 0.356) 2.475 10.747 ( 8.913 -1.176 9.427) 13.026 10.977 ( 3.375 -2.211 -0.326) 4.048 11.058 ( -1.405 -4.141 -2.262) 4.923 11.210 ( 0.573 2.821 5.259) 5.995 11.476 ( -2.385 -0.926 -1.791) 3.123 12.599 ( -2.094 0.301 -1.422) 2.549 12.685 ( 1.642 1.272 0.927) 2.275 12.721 ( 0.318 2.543 3.790) 4.575 13.045 ( 5.676 -2.738 -1.760) 6.543 16.625 ( -0.893 -0.049 -0.640) 1.100 16.701 ( 2.350 -2.030 -1.133) 3.306 16.805 ( 3.914 2.023 0.783) 4.475 16.901 ( 2.839 -0.163 1.327) 3.138 23.028 ( -1.155 5.025 -4.832) 7.066 23.200 ( -3.785 -0.682 1.263) 4.048 23.297 ( -2.726 1.085 4.526) 5.394 23.506 ( 3.047 6.486 6.786) 9.870 23.598 ( -4.588 1.800 -6.079) 7.826 23.939 ( -13.298 -3.569 -5.646) 14.881 24.548 ( 9.361 -11.579 1.240) 14.941 24.863 ( -6.224 -24.969 4.709) 26.160 25.461 ( -5.666 5.852 -2.006) 8.389 26.163 ( 4.728 9.518 4.896) 11.701 26.313 ( 1.791 15.064 -3.089) 15.481 27.464 ( 11.589 -4.576 -5.970) 13.816 ======================= Grid point 197 (99/172) ======================= q-point: (-0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -13.922 12.869 14.392) 23.802 1.104 ( -17.118 14.816 16.142) 27.805 1.836 ( -20.579 14.896 11.156) 27.747 2.076 ( -11.926 5.226 4.151) 13.666 2.218 ( -8.072 -2.090 4.911) 9.677 2.267 ( -5.099 6.783 -8.840) 12.254 2.590 ( -8.966 4.492 -2.543) 10.346 2.750 ( -10.450 -3.839 4.863) 12.149 2.953 ( 0.549 -0.449 -0.546) 0.895 3.124 ( -2.505 -2.144 -2.350) 4.049 3.140 ( -8.298 -2.930 -2.355) 9.110 3.326 ( -2.950 -1.495 -6.039) 6.886 3.483 ( 3.824 -5.127 -2.202) 6.765 3.630 ( 7.286 1.755 -6.310) 9.798 3.801 ( 1.073 -1.471 2.994) 3.504 4.012 ( -2.182 1.679 3.092) 4.140 4.164 ( -1.888 -1.652 1.772) 3.071 4.228 ( 8.032 -3.056 1.962) 8.815 4.378 ( -4.914 -6.489 -1.378) 8.256 4.456 ( -6.625 0.061 0.675) 6.660 4.543 ( -9.146 -0.911 0.091) 9.192 4.569 ( -8.209 -3.891 6.130) 10.960 4.724 ( -7.366 2.841 -1.215) 7.987 4.795 ( -3.014 -2.565 -9.557) 10.344 5.213 ( -3.706 -5.887 -1.870) 7.204 5.319 ( 5.333 -1.772 2.132) 6.011 5.494 ( -6.547 -3.766 -1.911) 7.791 5.694 ( -3.207 -3.157 -0.919) 4.593 5.762 ( -0.905 -1.543 1.373) 2.255 5.878 ( -0.023 0.915 -8.044) 8.095 5.908 ( -3.329 -0.033 1.613) 3.699 6.119 ( 3.596 0.115 -4.054) 5.421 6.167 ( -2.705 1.922 4.883) 5.904 6.325 ( 6.772 9.327 4.297) 12.301 6.442 ( 6.134 9.698 -6.228) 13.056 7.295 ( 6.011 0.019 -1.617) 6.224 7.469 ( 7.780 0.782 -3.049) 8.392 7.626 ( 6.495 -4.560 8.766) 11.824 7.982 ( -1.003 -7.708 -1.055) 7.844 8.151 ( 4.126 -3.481 -2.437) 5.923 8.890 ( 0.034 1.730 -3.829) 4.201 8.971 ( -4.823 2.614 -5.267) 7.605 9.518 ( 2.700 4.793 7.057) 8.948 10.020 ( -4.386 0.287 2.977) 5.309 10.241 ( 2.664 1.206 0.093) 2.925 10.365 ( 2.373 1.495 -4.900) 5.646 10.577 ( 1.084 -3.633 0.371) 3.810 10.920 ( 1.444 -6.194 0.130) 6.361 11.050 ( 6.515 0.101 5.888) 8.782 11.065 ( 3.216 0.657 -0.797) 3.377 11.274 ( -0.038 2.082 3.988) 4.499 11.411 ( -2.587 -0.300 -1.044) 2.806 12.549 ( -1.976 -0.605 -1.592) 2.609 12.719 ( 1.067 1.893 -0.472) 2.223 12.763 ( -0.520 3.009 3.864) 4.925 13.126 ( 6.160 -0.997 0.186) 6.243 16.620 ( 0.087 0.042 0.807) 0.813 16.732 ( 2.598 -2.576 -0.166) 3.662 16.866 ( 3.018 2.132 0.189) 3.700 16.947 ( 1.542 0.061 0.593) 1.654 22.938 ( -2.521 6.381 -3.758) 7.822 23.153 ( -1.747 0.345 -1.858) 2.573 23.330 ( -1.140 -1.242 4.077) 4.412 23.456 ( -5.092 1.995 -4.145) 6.862 23.602 ( 0.574 4.205 -0.885) 4.335 23.704 ( -7.133 -0.165 -0.846) 7.185 24.604 ( -8.778 -30.508 8.720) 32.922 24.877 ( 0.017 -13.992 7.440) 15.847 25.374 ( -3.343 5.196 -0.517) 6.200 26.116 ( -9.758 -5.863 3.313) 11.856 26.533 ( 24.105 33.569 -5.564) 41.700 27.483 ( 4.639 -0.722 -13.692) 14.475 ======================= Grid point 198 (100/172) ======================= q-point: (-0.08 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -9.774 11.856 20.006) 25.225 1.122 ( -15.777 15.096 15.191) 26.600 1.686 ( -12.585 8.275 5.178) 15.927 1.937 ( -9.768 16.517 11.665) 22.456 2.142 ( 1.756 4.559 -7.730) 9.145 2.249 ( -4.311 -2.508 14.930) 15.740 2.465 ( -2.620 2.525 0.202) 3.645 2.689 ( -3.946 -2.625 3.007) 5.612 2.952 ( -0.830 -1.520 -1.991) 2.638 2.998 ( -5.734 -3.229 -3.178) 7.308 3.109 ( -1.751 -0.062 3.711) 4.104 3.284 ( 4.245 -1.456 -1.159) 4.635 3.490 ( 1.093 -6.708 -4.125) 7.950 3.653 ( 5.970 2.716 -5.746) 8.720 3.784 ( -6.939 -2.638 -1.611) 7.597 3.954 ( -6.976 0.129 -1.141) 7.070 4.148 ( -3.650 -1.085 -0.232) 3.814 4.210 ( -9.857 -2.114 -0.360) 10.088 4.297 ( -2.853 -1.231 -0.771) 3.202 4.335 ( 5.928 -2.599 -3.475) 7.347 4.459 ( 1.362 -1.583 -0.495) 2.146 4.560 ( -7.051 -10.135 7.922) 14.669 4.677 ( 4.511 2.288 4.333) 6.660 4.795 ( -4.141 2.882 4.684) 6.885 5.141 ( -0.096 -6.180 -4.869) 7.868 5.319 ( -7.126 0.998 -6.572) 9.745 5.472 ( 4.778 -6.366 5.750) 9.820 5.650 ( 1.789 -9.607 -6.686) 11.840 5.737 ( -0.519 1.784 -0.695) 1.984 5.806 ( 1.258 2.850 -3.885) 4.980 5.906 ( -2.566 1.925 4.297) 5.362 6.123 ( 2.411 -2.086 -2.810) 4.250 6.181 ( -3.129 6.586 7.122) 10.193 6.490 ( 5.381 7.168 -1.855) 9.153 6.513 ( 8.021 9.323 4.758) 13.186 7.299 ( 2.494 1.586 -8.276) 8.787 7.507 ( 3.651 1.601 -6.093) 7.281 7.683 ( -4.021 0.401 -3.362) 5.257 7.965 ( -0.384 -10.783 0.924) 10.829 8.167 ( 2.738 -6.020 -5.461) 8.577 8.787 ( -1.997 0.209 -4.182) 4.639 8.907 ( -1.154 -0.217 -1.992) 2.312 9.648 ( 2.119 2.853 6.772) 7.648 10.010 ( -2.289 0.387 4.212) 4.809 10.287 ( 1.300 2.499 2.288) 3.629 10.342 ( 2.685 -1.078 -5.580) 6.285 10.586 ( 0.473 -3.464 -1.495) 3.802 10.877 ( -2.932 -3.211 -4.541) 6.287 11.102 ( 2.441 0.976 1.345) 2.953 11.232 ( 5.987 0.781 5.014) 7.848 11.288 ( -2.133 0.986 1.356) 2.713 11.406 ( 0.487 -0.658 2.409) 2.544 12.507 ( -0.594 0.231 -1.382) 1.522 12.681 ( -2.256 1.112 -3.024) 3.933 12.821 ( 0.028 4.401 5.989) 7.432 13.217 ( 4.824 2.610 -0.855) 5.551 16.645 ( 0.708 0.223 2.225) 2.345 16.774 ( 2.140 -2.715 0.775) 3.543 16.898 ( 1.432 2.047 -0.646) 2.580 16.961 ( -0.062 0.161 -0.210) 0.272 22.881 ( -0.471 5.310 -1.069) 5.437 23.119 ( -0.183 0.935 -1.235) 1.560 23.274 ( -6.438 -1.440 -1.135) 6.694 23.375 ( -3.692 -1.297 -1.792) 4.304 23.544 ( -1.342 0.506 3.246) 3.549 23.716 ( 2.153 8.981 0.496) 9.249 24.632 ( -6.629 -37.456 19.876) 42.918 24.987 ( 3.113 -11.467 5.280) 13.003 25.347 ( -0.919 4.357 1.701) 4.767 25.997 ( -8.364 -4.994 0.202) 9.743 26.782 ( 19.326 32.103 -14.132) 40.047 27.300 ( -3.111 4.313 -14.430) 15.379 ======================= Grid point 199 (101/172) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.227 18.548 4.917) 20.173 1.446 ( 0.055 14.604 16.161) 21.781 1.754 ( 3.185 9.427 -6.870) 12.091 1.990 ( -0.910 -8.401 -0.847) 8.493 2.142 ( 4.113 -5.474 3.240) 7.575 2.288 ( -3.487 -10.883 6.005) 12.910 2.664 ( -4.064 12.114 6.438) 14.307 2.756 ( 1.880 0.063 1.578) 2.455 2.817 ( -3.234 3.644 -10.077) 11.193 2.989 ( 5.535 7.711 1.743) 9.651 3.136 ( -1.407 -0.353 7.175) 7.320 3.313 ( -0.439 -3.345 1.083) 3.543 3.380 ( 3.498 -2.816 3.855) 5.919 3.560 ( -2.410 -9.153 -4.614) 10.530 3.698 ( -4.641 0.905 -1.663) 5.012 3.800 ( 0.803 -1.109 -2.581) 2.922 4.088 ( -4.337 -1.483 3.598) 5.827 4.168 ( 0.960 3.937 -0.145) 4.055 4.242 ( -0.579 -6.610 -0.410) 6.648 4.320 ( -1.627 -6.063 1.899) 6.558 4.427 ( 3.976 6.212 7.155) 10.276 4.601 ( 3.815 4.753 1.898) 6.383 4.773 ( 1.845 -4.427 8.401) 9.674 4.790 ( 2.415 0.463 0.746) 2.570 5.024 ( 6.892 -4.238 -4.888) 9.453 5.102 ( -5.612 -3.492 -4.308) 7.890 5.419 ( 0.111 -4.709 -1.096) 4.836 5.460 ( 0.879 -3.760 0.438) 3.886 5.858 ( 1.756 2.387 4.018) 4.993 5.902 ( 0.807 5.632 0.754) 5.739 5.994 ( 1.144 1.738 -0.395) 2.118 6.066 ( 1.725 -2.980 0.758) 3.525 6.362 ( -2.769 6.263 6.433) 9.395 6.576 ( -0.302 -1.946 -0.397) 2.009 6.783 ( 1.727 9.441 -5.212) 10.922 7.181 ( 2.129 -4.560 -15.455) 16.253 7.475 ( -3.453 2.564 -7.214) 8.398 7.537 ( -5.485 0.743 -9.496) 10.992 7.795 ( 0.506 -5.729 0.486) 5.771 7.934 ( -1.720 -8.272 -5.494) 10.079 8.778 ( 2.766 0.882 -1.066) 3.093 8.839 ( 0.963 -1.856 -1.394) 2.513 9.809 ( -1.142 5.112 4.251) 6.746 10.005 ( -0.917 -2.895 0.941) 3.179 10.277 ( -0.255 0.123 -1.649) 1.673 10.348 ( 0.656 -2.233 -0.216) 2.337 10.590 ( 1.919 4.079 2.317) 5.068 10.773 ( -0.176 -1.538 -0.257) 1.569 11.124 ( -0.990 -0.050 -0.771) 1.256 11.227 ( -3.429 -2.698 -1.091) 4.497 11.373 ( 1.071 1.765 3.771) 4.299 11.432 ( -0.175 -0.497 2.720) 2.771 12.540 ( 1.713 1.676 -1.254) 2.705 12.601 ( -1.783 -0.834 -3.008) 3.595 13.045 ( 0.041 8.378 6.677) 10.714 13.283 ( 0.501 -0.868 0.725) 1.237 16.703 ( 1.030 0.895 3.069) 3.359 16.765 ( 1.151 -2.083 1.995) 3.105 16.925 ( -0.597 0.995 -1.404) 1.822 16.943 ( -1.490 0.006 -1.250) 1.945 22.989 ( 1.836 3.686 1.123) 4.268 23.117 ( -1.161 -1.354 0.115) 1.787 23.155 ( -3.471 1.445 -1.371) 4.002 23.259 ( -2.085 -1.991 -2.037) 3.530 23.700 ( 1.331 6.921 7.875) 10.568 23.985 ( 2.075 12.840 0.357) 13.012 24.257 ( 2.331 -20.348 16.081) 26.040 24.731 ( -0.091 -18.787 0.764) 18.803 25.504 ( 0.596 6.438 3.501) 7.352 25.774 ( -2.759 -5.648 -1.610) 6.489 27.150 ( -2.372 12.037 -14.092) 18.684 27.259 ( 4.590 3.814 -12.260) 13.636 ======================= Grid point 200 (102/172) ======================= q-point: ( 0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 8.768 15.456 7.288) 19.207 1.632 ( 8.016 12.432 4.426) 15.440 1.882 ( 14.886 3.168 1.552) 15.299 2.033 ( 6.547 -7.134 0.124) 9.684 2.279 ( 7.892 -0.796 3.570) 8.699 2.359 ( -0.989 -12.185 11.612) 16.861 2.612 ( -4.546 3.017 -4.027) 6.781 2.675 ( -2.362 2.636 -3.972) 5.320 2.804 ( 2.328 0.558 0.598) 2.467 3.083 ( 5.481 -0.786 -3.345) 6.469 3.181 ( -3.487 2.362 5.265) 6.742 3.270 ( -2.055 -0.328 0.643) 2.178 3.491 ( 2.325 -7.687 2.010) 8.279 3.532 ( 1.777 -3.564 4.153) 5.754 3.675 ( 2.538 3.275 -0.470) 4.170 3.769 ( -1.717 0.787 -2.452) 3.095 4.076 ( -2.221 0.675 0.681) 2.419 4.172 ( 2.015 -0.715 -1.701) 2.732 4.266 ( 5.201 -5.999 -4.143) 8.956 4.320 ( -0.330 -4.141 3.199) 5.243 4.586 ( 2.566 6.817 -1.651) 7.468 4.635 ( 2.537 5.992 7.892) 10.229 4.802 ( 2.924 6.076 -0.888) 6.801 4.919 ( 4.574 -0.294 2.148) 5.061 5.008 ( 4.572 -2.630 -5.098) 7.336 5.169 ( 10.766 -4.957 0.381) 11.858 5.411 ( 1.868 -0.262 -0.629) 1.988 5.497 ( 1.945 -1.229 -0.328) 2.324 5.901 ( -2.091 3.101 3.052) 4.828 5.930 ( -1.491 3.095 5.346) 6.355 5.969 ( -2.394 1.882 -1.443) 3.370 6.131 ( 1.324 -5.352 3.522) 6.542 6.412 ( -0.789 2.153 4.124) 4.718 6.508 ( -3.843 -0.639 -3.573) 5.286 6.682 ( -3.720 5.775 -7.983) 10.532 6.944 ( -8.451 -6.422 -14.897) 18.291 7.340 ( -3.426 1.590 -1.965) 4.258 7.391 ( -1.017 0.171 -3.631) 3.775 7.821 ( 0.470 -7.095 1.403) 7.248 7.883 ( 0.611 -7.831 -2.827) 8.347 8.829 ( 5.158 0.983 -1.621) 5.495 8.859 ( 3.920 -0.190 -2.322) 4.560 9.825 ( -3.509 3.201 4.726) 6.700 9.968 ( -3.240 -3.212 -2.066) 5.008 10.301 ( 3.543 -0.064 1.915) 4.028 10.348 ( 1.200 -2.208 -1.819) 3.103 10.661 ( 2.083 5.607 3.543) 6.952 10.750 ( -0.421 3.639 -2.140) 4.242 11.117 ( -0.990 -3.771 1.545) 4.194 11.165 ( -3.074 -4.241 -0.607) 5.273 11.371 ( -5.792 2.460 2.686) 6.842 11.439 ( -1.995 -0.306 1.283) 2.391 12.548 ( -0.869 0.523 -2.113) 2.344 12.568 ( 2.791 -0.354 -0.257) 2.825 13.101 ( -2.483 7.369 5.689) 9.635 13.255 ( -3.179 1.202 -1.349) 3.657 16.751 ( 0.213 0.781 2.741) 2.858 16.789 ( -0.733 -1.028 0.672) 1.431 16.892 ( -2.245 0.115 -1.298) 2.596 16.896 ( -1.487 -0.019 -0.390) 1.538 23.047 ( 1.155 1.570 1.680) 2.573 23.084 ( -2.060 1.997 -1.678) 3.324 23.122 ( -0.616 -0.142 1.540) 1.665 23.223 ( 0.713 -1.830 -1.146) 2.274 23.790 ( 0.053 10.841 3.840) 11.501 24.019 ( 4.306 13.101 -0.614) 13.804 24.495 ( 5.074 -23.459 10.744) 26.296 24.717 ( -0.449 -18.855 -0.866) 18.880 25.557 ( -0.373 5.373 3.204) 6.267 25.758 ( 4.082 -4.381 -0.913) 6.058 26.932 ( -8.145 13.221 -7.155) 17.098 27.164 ( 1.171 1.422 -10.780) 10.936 ======================= Grid point 201 (103/172) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 13.484 8.022 6.806) 17.103 1.863 ( 15.951 11.058 3.863) 19.790 2.128 ( 13.619 -3.856 -0.201) 14.155 2.181 ( 12.356 1.830 -0.333) 12.495 2.369 ( 0.934 6.800 -7.713) 10.325 2.483 ( 2.535 -6.232 10.730) 12.665 2.567 ( -5.468 -5.436 3.760) 8.578 2.659 ( 7.572 3.946 2.828) 8.995 2.840 ( 1.081 -4.890 1.046) 5.117 3.022 ( -1.575 -11.267 -6.982) 13.348 3.187 ( -1.798 3.771 3.962) 5.758 3.373 ( 10.365 4.355 1.486) 11.340 3.521 ( 2.633 -5.867 -3.826) 7.483 3.630 ( 2.543 -3.142 0.171) 4.045 3.706 ( 2.401 1.131 0.059) 2.655 3.735 ( -0.053 0.312 4.157) 4.169 4.003 ( -2.642 2.942 -4.900) 6.296 4.144 ( -1.636 -4.085 -6.485) 7.837 4.313 ( 7.317 0.483 0.660) 7.363 4.414 ( 5.408 -2.798 3.480) 7.013 4.583 ( 0.336 6.746 -0.896) 6.814 4.721 ( -1.899 0.377 2.609) 3.249 4.882 ( 8.699 10.526 -1.532) 13.741 5.007 ( 6.667 0.829 0.315) 6.726 5.096 ( 9.931 -2.234 -2.564) 10.497 5.305 ( 4.606 -3.646 0.054) 5.875 5.448 ( 2.227 6.169 -0.994) 6.634 5.530 ( 3.736 3.984 1.001) 5.553 5.857 ( -2.311 2.736 -4.602) 5.831 5.901 ( -5.102 0.602 0.043) 5.137 5.977 ( -1.086 0.623 5.426) 5.568 6.131 ( -1.155 -5.978 -3.577) 7.062 6.325 ( -5.081 -3.061 0.358) 5.943 6.439 ( -8.841 -2.343 -13.737) 16.504 6.566 ( 0.140 -0.698 7.530) 7.564 6.723 ( -5.584 -5.297 0.110) 7.697 7.324 ( -0.755 2.286 2.180) 3.248 7.399 ( 1.520 0.146 3.481) 3.801 7.835 ( -0.849 -6.809 0.970) 6.930 7.858 ( 0.322 -7.469 -2.997) 8.054 8.883 ( 6.225 2.029 -4.440) 7.911 8.901 ( 4.168 1.468 -1.036) 4.539 9.810 ( -5.954 0.714 4.271) 7.362 9.871 ( -5.565 -1.709 -1.196) 5.943 10.350 ( 1.348 1.367 -0.830) 2.091 10.420 ( 7.085 -1.959 2.819) 7.873 10.663 ( -0.326 5.091 -4.835) 7.029 10.773 ( 2.360 2.151 1.705) 3.620 11.070 ( -4.516 -2.511 -1.140) 5.291 11.150 ( -2.012 -3.979 2.716) 5.221 11.299 ( -6.562 2.838 3.137) 7.807 11.404 ( -3.233 -1.326 0.338) 3.511 12.529 ( 0.675 1.605 -0.786) 1.910 12.616 ( 2.963 -2.060 0.574) 3.654 13.099 ( -4.852 5.254 3.371) 7.906 13.167 ( -4.751 2.142 -2.363) 5.722 16.747 ( -2.895 -0.024 -1.350) 3.194 16.758 ( -2.073 -0.450 -0.816) 2.273 16.851 ( -1.696 1.084 0.887) 2.199 16.893 ( -0.836 -0.858 1.793) 2.157 23.015 ( -2.234 3.301 -2.320) 4.612 23.053 ( -2.858 0.350 1.200) 3.119 23.142 ( -1.115 0.413 3.613) 3.804 23.258 ( 3.115 -3.614 -0.120) 4.773 23.780 ( -2.083 12.849 -1.560) 13.110 24.126 ( 8.490 14.514 0.762) 16.832 24.564 ( -2.890 -24.126 -1.012) 24.319 24.792 ( 7.982 -14.721 3.194) 17.048 25.561 ( -0.254 6.859 -0.495) 6.882 25.875 ( 7.813 -8.652 3.076) 12.057 26.734 ( -9.830 13.617 -2.828) 17.031 27.065 ( -0.845 -1.115 -5.470) 5.646 ======================= Grid point 202 (104/172) ======================= q-point: ( 0.25 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 12.043 5.025 3.371) 13.478 2.150 ( 11.507 7.885 5.683) 15.063 2.259 ( 2.949 3.986 -6.878) 8.479 2.306 ( 4.482 4.101 2.977) 6.765 2.359 ( 9.289 4.764 -4.209) 11.256 2.570 ( 4.728 -3.147 1.850) 5.973 2.632 ( 4.233 -2.167 5.249) 7.083 2.792 ( 2.433 -2.539 -0.197) 3.522 2.904 ( 1.450 -5.096 7.823) 9.448 2.986 ( 7.504 -7.363 -3.550) 11.096 3.197 ( 0.429 2.425 -2.725) 3.673 3.452 ( 0.008 -2.828 -6.006) 6.638 3.530 ( 4.340 2.704 -3.628) 6.270 3.617 ( 4.281 -4.004 -1.185) 5.980 3.792 ( 1.417 1.183 0.592) 1.939 3.819 ( 6.020 0.485 -1.190) 6.156 3.942 ( 0.403 1.090 0.043) 1.163 4.083 ( 1.576 -4.331 1.948) 5.003 4.434 ( 4.428 5.121 -0.045) 6.770 4.548 ( 10.262 -0.205 -1.977) 10.453 4.589 ( 1.860 -0.500 3.476) 3.974 4.682 ( -4.244 -1.841 -0.407) 4.644 4.963 ( 6.833 7.647 -6.616) 12.204 5.128 ( 1.199 5.737 6.809) 8.984 5.205 ( 6.127 0.803 -0.315) 6.188 5.313 ( -1.924 -3.160 -0.217) 3.706 5.408 ( 1.345 3.954 -6.897) 8.063 5.664 ( 10.184 3.907 1.136) 10.967 5.778 ( -3.951 -1.472 -4.760) 6.358 5.813 ( 2.546 -1.307 -4.193) 5.077 6.026 ( -1.364 -1.244 2.603) 3.191 6.075 ( -0.208 -1.934 -2.047) 2.824 6.193 ( -6.134 -2.139 -1.506) 6.668 6.293 ( -3.831 -5.531 2.609) 7.217 6.575 ( -2.919 0.122 -2.131) 3.616 6.762 ( -0.540 -6.534 10.112) 12.051 7.331 ( -1.506 3.896 1.527) 4.447 7.492 ( 0.862 -0.545 7.347) 7.417 7.780 ( -3.751 -5.526 -3.445) 7.515 7.849 ( -0.177 -7.170 0.680) 7.205 8.930 ( 6.327 3.812 -3.690) 8.257 8.953 ( 3.745 2.864 -0.703) 4.767 9.711 ( -7.823 0.533 -0.964) 7.901 9.813 ( -6.362 -2.897 5.496) 8.892 10.363 ( -0.063 5.697 0.792) 5.752 10.543 ( 5.500 0.724 -4.285) 7.009 10.614 ( 3.042 -0.175 -1.275) 3.304 10.776 ( -1.146 -4.182 -3.531) 5.592 11.003 ( -3.348 1.814 0.984) 3.933 11.118 ( -4.367 -2.699 0.023) 5.134 11.271 ( -2.903 2.343 4.971) 6.215 11.371 ( -1.720 -1.575 1.051) 2.558 12.551 ( 2.369 1.853 0.413) 3.036 12.667 ( 2.391 -2.921 0.836) 3.866 13.020 ( -6.245 3.490 -1.533) 7.316 13.073 ( -4.900 1.621 -0.812) 5.224 16.678 ( -2.967 -0.223 -1.654) 3.404 16.697 ( -2.891 -1.109 -1.945) 3.656 16.847 ( -1.295 1.655 1.397) 2.524 16.897 ( -1.441 -0.748 1.541) 2.238 22.960 ( -2.136 3.263 -0.686) 3.960 23.022 ( -2.699 0.216 1.593) 3.141 23.177 ( -1.883 0.785 6.291) 6.614 23.276 ( -1.225 -3.100 0.424) 3.360 23.725 ( -0.560 11.394 -3.100) 11.821 24.256 ( 8.099 13.630 -3.121) 16.158 24.495 ( -1.454 -19.169 -2.199) 19.350 24.955 ( 9.311 -11.668 0.258) 14.930 25.555 ( 0.844 8.193 -0.882) 8.283 26.038 ( 7.139 -14.374 3.931) 16.524 26.559 ( -9.804 15.666 -0.864) 18.501 27.012 ( -1.346 -4.041 -1.015) 4.379 ======================= Grid point 203 (105/172) ======================= q-point: ( 0.33 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 1.716 5.753 -6.280) 8.688 2.288 ( 2.758 0.769 3.205) 4.298 2.367 ( 5.068 6.684 -0.801) 8.426 2.382 ( 7.222 6.852 5.384) 11.317 2.431 ( 2.704 7.256 0.711) 7.776 2.632 ( 3.817 -1.122 -6.536) 7.652 2.734 ( 5.175 -4.029 3.007) 7.215 2.891 ( 6.251 2.788 2.186) 7.185 2.996 ( 0.441 -4.507 5.780) 7.343 3.071 ( 1.606 0.923 -6.452) 6.713 3.165 ( 7.769 -4.704 -2.699) 9.475 3.370 ( 0.490 -7.485 -7.277) 10.451 3.529 ( 3.546 1.404 -1.514) 4.103 3.703 ( 1.346 -3.487 3.819) 5.344 3.768 ( -3.281 2.998 -1.297) 4.629 3.845 ( 10.153 0.655 -11.938) 15.685 3.985 ( 0.627 3.419 4.488) 5.677 4.235 ( 7.373 -3.486 6.203) 10.246 4.463 ( 4.027 3.425 -2.433) 5.820 4.592 ( -5.620 -2.366 -1.009) 6.181 4.641 ( 0.978 0.042 3.767) 3.892 4.750 ( 9.600 -4.242 1.149) 10.558 4.975 ( 2.612 6.575 0.137) 7.076 5.158 ( 1.871 1.836 -5.193) 5.817 5.229 ( -5.259 2.075 1.516) 5.853 5.296 ( 2.410 -3.357 3.386) 5.342 5.453 ( 6.424 1.168 2.079) 6.852 5.678 ( 2.119 -3.674 -4.513) 6.194 5.816 ( 6.630 2.076 -1.676) 7.147 5.872 ( 7.074 0.793 -0.232) 7.122 5.952 ( -6.114 -2.406 1.432) 6.725 6.136 ( 4.141 1.724 1.264) 4.660 6.162 ( -1.160 -0.171 2.410) 2.680 6.253 ( -2.919 -4.066 -0.697) 5.054 6.473 ( -5.197 3.802 -3.815) 7.485 6.851 ( -1.992 -10.953 6.474) 12.878 7.308 ( -2.093 4.311 -0.812) 4.861 7.548 ( -3.337 -5.117 0.351) 6.119 7.685 ( -2.798 1.103 1.500) 3.361 7.861 ( -0.597 -6.581 2.428) 7.041 8.980 ( 4.865 4.607 -2.966) 7.328 9.014 ( 3.765 5.291 1.461) 6.656 9.582 ( -7.166 0.939 -0.412) 7.239 9.776 ( -6.962 -5.722 5.375) 10.493 10.347 ( -2.846 8.222 0.252) 8.705 10.518 ( 3.888 3.621 -6.752) 8.592 10.662 ( 1.008 -2.344 -5.679) 6.226 10.735 ( 1.125 -8.544 2.526) 8.980 10.966 ( -2.253 1.611 -1.412) 3.108 11.051 ( -0.797 -1.806 -1.784) 2.661 11.308 ( -1.421 1.696 5.370) 5.807 11.358 ( -2.383 -0.312 1.082) 2.636 12.607 ( 3.546 1.237 0.931) 3.870 12.703 ( 1.018 -2.597 0.256) 2.801 12.902 ( -5.190 2.530 -2.380) 6.245 12.981 ( -4.698 0.062 -2.156) 5.169 16.626 ( -1.891 -0.547 -0.684) 2.084 16.639 ( -1.622 -1.114 -1.306) 2.362 16.834 ( -1.636 1.723 0.106) 2.379 16.882 ( -2.056 -0.585 0.483) 2.191 22.941 ( -1.132 3.322 2.097) 4.088 23.024 ( -0.827 -0.220 3.833) 3.927 23.225 ( -4.105 0.971 7.716) 8.794 23.252 ( -2.979 -0.207 3.748) 4.792 23.700 ( 1.854 8.046 -2.773) 8.710 24.266 ( 3.268 -1.088 -8.224) 8.916 24.492 ( 2.758 -1.852 -2.134) 3.949 25.061 ( 6.813 -10.887 -4.927) 13.756 25.580 ( 2.054 10.067 2.068) 10.480 26.178 ( 4.607 -18.390 3.519) 19.282 26.418 ( -7.199 18.765 0.225) 20.100 26.984 ( -1.844 -6.957 -0.171) 7.199 ======================= Grid point 204 (106/172) ======================= q-point: ( 0.42 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.141 4.912 -4.951) 6.976 2.298 ( -7.184 -0.447 -1.906) 7.446 2.345 ( 1.890 4.949 -3.381) 6.285 2.456 ( 2.859 6.943 -0.324) 7.516 2.574 ( -1.312 -0.094 -1.430) 1.943 2.621 ( 8.224 3.370 1.903) 9.089 2.825 ( -0.455 -2.042 0.171) 2.099 2.877 ( -0.997 5.415 -8.009) 9.719 2.960 ( -1.424 -0.364 -1.785) 2.312 3.114 ( 7.257 -9.621 -0.868) 12.083 3.292 ( 3.611 -0.176 3.593) 5.097 3.343 ( 5.503 -4.000 -2.662) 7.305 3.633 ( 4.860 3.340 1.883) 6.191 3.697 ( 0.906 0.958 1.233) 1.805 3.727 ( 1.717 -1.057 -5.051) 5.438 3.900 ( 6.723 -4.037 -0.684) 7.871 4.052 ( 0.869 4.798 4.718) 6.785 4.376 ( 2.979 -4.167 0.971) 5.214 4.467 ( -3.239 1.168 -1.458) 3.739 4.544 ( 0.624 -3.133 2.971) 4.363 4.689 ( 1.754 3.765 3.102) 5.184 4.855 ( 3.939 1.259 0.765) 4.205 4.962 ( -2.732 0.340 -2.805) 3.930 5.127 ( -4.916 -0.156 -2.657) 5.590 5.265 ( 10.611 0.265 5.459) 11.936 5.457 ( 5.785 -2.974 9.255) 11.312 5.585 ( 5.637 0.940 3.364) 6.631 5.676 ( 1.147 0.885 -2.042) 2.504 5.867 ( 1.761 0.064 -0.652) 1.879 5.902 ( -2.748 0.727 2.654) 3.889 5.957 ( 5.352 0.441 -3.106) 6.203 6.168 ( -0.661 -1.943 -3.045) 3.673 6.176 ( 0.278 -0.894 -1.082) 1.431 6.219 ( 0.377 -0.205 1.558) 1.616 6.343 ( -5.238 4.327 -2.658) 7.295 6.834 ( -5.645 -12.433 0.349) 13.659 7.251 ( -1.962 2.850 -2.948) 4.546 7.402 ( -5.880 -3.259 -7.349) 9.960 7.749 ( 0.992 1.455 7.429) 7.635 7.887 ( -0.733 -5.088 3.473) 6.204 9.024 ( 4.969 6.274 -2.005) 8.250 9.081 ( 1.242 7.945 1.896) 8.262 9.502 ( -2.817 -1.933 1.271) 3.645 9.721 ( -7.106 -7.861 3.870) 11.282 10.307 ( -1.571 7.244 -0.236) 7.416 10.494 ( 1.140 3.443 -5.394) 6.500 10.610 ( 1.539 -2.419 -3.566) 4.576 10.750 ( -1.536 -6.330 -2.186) 6.871 10.928 ( 1.266 2.589 -1.023) 3.058 11.069 ( 4.180 -2.800 -1.285) 5.193 11.310 ( -4.238 0.736 0.355) 4.316 11.332 ( -3.210 -0.007 3.928) 5.073 12.672 ( 3.016 0.300 0.529) 3.076 12.691 ( -1.507 -0.733 -1.424) 2.199 12.820 ( -2.758 0.875 -0.814) 3.006 12.890 ( -1.966 -0.829 -3.410) 4.022 16.604 ( -0.405 -0.376 0.239) 0.602 16.624 ( 0.614 -1.131 0.186) 1.300 16.800 ( -1.670 1.593 -1.301) 2.649 16.845 ( -2.432 -0.512 -0.800) 2.611 22.980 ( 0.627 3.785 5.107) 6.387 23.077 ( -0.989 0.791 5.813) 5.949 23.223 ( -3.549 1.070 6.231) 7.250 23.305 ( -2.648 -1.355 9.399) 9.859 23.717 ( 3.138 6.222 -0.789) 7.013 24.213 ( 3.756 -4.402 -8.878) 10.598 24.478 ( 0.623 2.728 -5.147) 5.859 25.029 ( 1.256 -10.727 -10.755) 15.242 25.673 ( 3.366 11.411 5.840) 13.253 26.217 ( -2.635 -2.265 -0.413) 3.499 26.393 ( 1.066 3.318 4.533) 5.718 26.941 ( -1.720 -8.866 -2.318) 9.324 ======================= Grid point 205 (107/172) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -5.700 5.499 -3.447) 8.638 2.137 ( -4.345 -0.695 -6.445) 7.804 2.321 ( -2.395 -0.905 -3.463) 4.306 2.388 ( -5.959 4.294 -5.862) 9.398 2.495 ( -6.230 -7.676 0.699) 9.911 2.632 ( -4.785 -6.046 -9.932) 12.573 2.792 ( 4.772 0.868 4.639) 6.712 2.833 ( 3.822 1.945 -6.397) 7.702 3.022 ( 2.818 -1.565 8.397) 8.994 3.224 ( 5.388 -3.278 1.577) 6.501 3.333 ( -0.651 2.393 1.448) 2.872 3.422 ( 5.912 4.478 -3.813) 8.339 3.602 ( -1.185 9.006 -3.365) 9.687 3.696 ( 4.414 -1.251 -5.880) 7.458 3.887 ( 7.447 -3.934 5.705) 10.173 3.991 ( 0.560 -4.020 4.500) 6.060 4.143 ( 1.364 4.986 8.204) 9.697 4.321 ( -7.172 1.607 0.542) 7.370 4.421 ( -2.976 -0.826 0.590) 3.145 4.579 ( -2.325 -5.352 3.308) 6.708 4.796 ( 4.892 6.028 3.290) 8.431 4.848 ( -1.659 7.069 -3.754) 8.174 4.945 ( 0.887 -2.496 1.812) 3.209 5.023 ( -3.532 -1.440 -3.924) 5.472 5.489 ( 3.982 1.253 10.659) 11.447 5.609 ( 2.180 1.100 2.688) 3.632 5.636 ( 0.093 2.949 -1.869) 3.493 5.734 ( 7.702 0.515 -0.286) 7.725 5.859 ( -0.155 -0.836 -0.435) 0.955 5.932 ( 1.243 -1.046 1.260) 2.056 5.979 ( 2.480 -0.558 -1.119) 2.777 6.092 ( -1.643 -2.082 -3.651) 4.512 6.135 ( -2.553 1.924 -1.824) 3.681 6.214 ( -3.347 2.475 -0.401) 4.182 6.326 ( 3.739 -5.542 2.883) 7.281 6.689 ( -9.209 -11.238 -4.382) 15.176 7.191 ( -0.773 1.124 -3.087) 3.375 7.252 ( -2.461 -1.063 -5.788) 6.379 7.856 ( 2.041 -0.560 5.901) 6.269 7.916 ( -0.885 -3.369 3.292) 4.792 9.083 ( -2.265 10.745 0.282) 10.985 9.095 ( 6.940 7.568 -1.489) 10.375 9.540 ( 3.789 -6.491 3.349) 8.228 9.646 ( -7.375 -8.982 2.329) 11.853 10.304 ( 0.744 5.814 0.885) 5.928 10.434 ( -0.687 1.708 -4.382) 4.753 10.607 ( 1.520 -0.170 -3.779) 4.077 10.679 ( 0.238 -2.841 -4.504) 5.330 10.969 ( 3.318 2.369 0.661) 4.130 11.079 ( -1.674 0.735 -3.295) 3.768 11.276 ( -1.764 -2.209 2.631) 3.862 11.310 ( -3.121 -2.518 2.585) 4.771 12.638 ( -2.234 0.955 -0.852) 2.575 12.696 ( -0.395 -1.684 -1.048) 2.023 12.793 ( 0.339 1.108 -0.812) 1.415 12.853 ( 1.986 -1.031 -2.883) 3.649 16.621 ( 1.437 0.350 1.164) 1.882 16.659 ( 2.390 -1.277 1.463) 3.079 16.755 ( -1.207 1.183 -2.352) 2.896 16.790 ( -2.391 -0.444 -1.925) 3.101 23.075 ( 0.176 4.106 8.021) 9.013 23.107 ( -1.296 4.611 4.350) 6.470 23.273 ( -3.490 -1.313 9.065) 9.802 23.380 ( -0.066 -4.421 6.405) 7.783 23.790 ( 4.359 5.512 4.028) 8.100 24.167 ( 3.189 2.369 -9.129) 9.956 24.399 ( -1.692 -3.525 -5.660) 6.879 24.865 ( -2.207 -10.576 -14.274) 17.902 25.793 ( 0.866 11.907 7.195) 13.939 26.156 ( -1.276 8.020 -2.573) 8.518 26.481 ( -0.345 -5.351 6.578) 8.487 26.896 ( 2.631 -9.917 -4.679) 11.277 ======================= Grid point 206 (108/172) ======================= q-point: (-0.42 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -10.224 4.367 -2.195) 11.332 1.944 ( -12.641 -2.838 -11.002) 16.997 2.105 ( -10.245 -0.872 0.978) 10.329 2.337 ( -2.718 -5.758 0.843) 6.423 2.432 ( -1.025 -6.157 -0.811) 6.294 2.500 ( -0.493 -5.412 -4.752) 7.219 2.813 ( 1.546 -1.642 -2.862) 3.644 2.937 ( 3.050 -2.548 7.314) 8.324 3.166 ( 2.904 6.789 2.869) 7.922 3.277 ( -1.788 3.853 4.772) 6.389 3.357 ( 7.940 -5.375 -5.319) 10.964 3.403 ( -1.093 5.762 -4.817) 7.589 3.552 ( -1.036 8.741 -1.714) 8.967 3.712 ( 5.174 1.700 -5.884) 8.018 3.944 ( -4.664 -7.946 -0.365) 9.220 3.994 ( -5.028 -4.417 1.748) 6.917 4.177 ( -11.533 6.669 9.127) 16.149 4.254 ( -5.432 1.434 0.499) 5.640 4.457 ( 4.386 4.591 6.945) 9.409 4.555 ( -5.823 -1.228 3.157) 6.737 4.748 ( -1.895 3.605 -2.932) 5.018 4.892 ( -1.860 -2.589 -1.417) 3.488 4.943 ( -1.956 6.001 -0.937) 6.381 4.961 ( 1.991 3.447 1.609) 4.294 5.540 ( -4.424 1.495 -3.357) 5.752 5.620 ( -0.478 -1.321 1.309) 1.920 5.630 ( -4.283 4.182 3.153) 6.766 5.813 ( 1.779 2.536 -1.962) 3.667 5.861 ( 3.198 -5.997 -4.478) 8.139 5.931 ( 1.456 -0.601 0.960) 1.845 6.005 ( 0.212 -1.247 -0.633) 1.414 6.046 ( 0.931 -1.406 -2.618) 3.114 6.101 ( -3.567 6.041 0.533) 7.036 6.224 ( 7.418 -1.609 2.857) 8.110 6.472 ( -8.115 -8.612 -4.303) 12.591 6.481 ( 5.918 -8.140 6.135) 11.787 7.166 ( 1.393 0.320 -1.509) 2.079 7.198 ( 2.003 -0.675 -2.727) 3.450 7.934 ( -0.907 -2.168 2.702) 3.581 7.944 ( 1.676 -2.493 3.214) 4.399 9.041 ( -2.006 10.583 -0.772) 10.799 9.197 ( 8.172 7.663 -1.943) 11.371 9.548 ( -7.315 -7.295 1.376) 10.421 9.677 ( 7.027 -8.780 3.896) 11.901 10.346 ( 0.723 3.457 1.563) 3.862 10.377 ( 0.501 1.725 -2.437) 3.027 10.555 ( 0.246 1.098 -4.224) 4.371 10.671 ( 3.409 -1.712 -4.589) 5.968 10.967 ( -5.487 3.262 -1.960) 6.677 11.034 ( 2.483 1.335 0.128) 2.822 11.228 ( -5.733 -1.305 2.562) 6.413 11.370 ( 3.324 -5.365 2.813) 6.910 12.618 ( -0.523 0.941 1.258) 1.656 12.668 ( -0.706 -1.258 -0.834) 1.666 12.779 ( 0.011 2.235 -2.414) 3.290 12.877 ( 4.351 -2.102 -2.263) 5.336 16.668 ( 1.815 0.899 1.068) 2.290 16.710 ( -0.840 -0.527 -0.559) 1.138 16.718 ( 1.383 0.223 -1.735) 2.230 16.746 ( 1.695 -0.600 -0.175) 1.806 23.102 ( -3.127 4.360 4.831) 7.220 23.222 ( 3.532 4.232 7.037) 8.939 23.296 ( -5.915 -0.853 7.076) 9.262 23.442 ( 0.603 -2.481 3.309) 4.179 23.943 ( 4.299 2.040 7.546) 8.921 24.069 ( -0.949 10.241 -8.731) 13.491 24.309 ( -2.512 -10.569 -4.961) 11.943 24.654 ( -2.183 -12.961 -13.805) 19.062 25.831 ( -5.542 11.387 4.488) 13.436 26.146 ( 1.881 6.100 -0.115) 6.384 26.508 ( -2.299 0.583 2.711) 3.602 26.955 ( 10.743 -11.114 -2.630) 15.679 ======================= Grid point 207 (109/172) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -15.398 6.345 -2.968) 16.916 1.670 ( -12.509 4.738 1.992) 13.524 2.016 ( -7.455 -3.946 4.425) 9.525 2.288 ( -5.970 -14.319 3.445) 15.892 2.399 ( -2.030 1.239 -0.115) 2.381 2.513 ( 1.366 -2.194 1.675) 3.080 2.801 ( -0.657 1.127 -0.654) 1.458 3.033 ( -0.340 -2.823 1.732) 3.330 3.132 ( -1.292 9.141 -4.031) 10.074 3.262 ( -0.928 3.563 -7.815) 8.639 3.375 ( -0.510 1.137 -1.795) 2.186 3.405 ( -0.395 -4.292 4.862) 6.497 3.568 ( 4.043 3.843 3.105) 6.384 3.672 ( -0.763 2.219 -9.058) 9.357 3.756 ( -11.156 -0.790 -5.259) 12.359 3.914 ( -8.259 -7.436 3.696) 11.712 4.048 ( -8.940 3.647 -0.003) 9.656 4.235 ( -1.685 -2.400 5.574) 6.298 4.458 ( -8.877 1.957 1.053) 9.151 4.547 ( -5.841 -0.860 5.126) 7.818 4.728 ( -0.796 4.316 1.400) 4.606 4.823 ( 1.105 5.878 -6.530) 8.855 4.862 ( -9.241 4.204 2.990) 10.583 5.045 ( 4.146 2.113 1.697) 4.953 5.383 ( -9.434 -3.589 -3.678) 10.743 5.473 ( -6.378 -8.688 -15.171) 18.610 5.622 ( -3.958 5.111 6.811) 9.390 5.739 ( -7.542 1.267 0.024) 7.648 5.905 ( 3.817 -1.908 -0.315) 4.279 5.931 ( -1.576 -0.377 1.178) 2.003 5.981 ( 2.077 -0.188 -6.341) 6.675 6.084 ( 2.898 2.518 2.848) 4.780 6.126 ( 2.754 1.226 1.431) 3.336 6.261 ( -7.109 -5.234 -3.860) 9.635 6.420 ( 12.611 2.390 0.156) 12.836 6.740 ( 11.823 -7.781 9.676) 17.145 7.204 ( 4.093 0.063 0.930) 4.198 7.243 ( 5.933 -1.187 -0.632) 6.084 7.942 ( -0.935 -1.662 1.219) 2.263 7.994 ( 1.302 -4.038 1.303) 4.438 9.012 ( -0.346 8.843 -1.104) 8.918 9.259 ( 2.432 2.350 -4.393) 5.544 9.486 ( -2.012 1.422 2.933) 3.831 9.830 ( 6.714 -9.110 3.154) 11.749 10.290 ( -2.133 3.001 -3.145) 4.843 10.453 ( 2.158 -2.989 3.651) 5.189 10.545 ( 3.792 3.968 -2.086) 5.872 10.642 ( 0.410 1.862 -3.944) 4.381 10.901 ( -0.533 -0.426 -0.012) 0.683 11.019 ( -3.348 -4.123 -1.584) 5.542 11.225 ( 0.071 4.048 4.325) 5.924 11.435 ( 1.426 -4.414 1.388) 4.842 12.648 ( 0.883 0.924 2.118) 2.473 12.665 ( 0.503 -0.060 0.690) 0.856 12.748 ( 0.088 3.447 -1.819) 3.898 12.918 ( 4.528 -3.796 -2.624) 6.465 16.658 ( -1.036 -0.005 -1.987) 2.241 16.671 ( -0.110 -0.657 -1.878) 1.992 16.766 ( 4.094 1.512 1.211) 4.529 16.818 ( 3.868 -0.888 1.861) 4.383 23.115 ( -0.805 3.353 2.502) 4.260 23.254 ( -5.409 -2.054 2.374) 6.254 23.345 ( 1.740 6.063 3.876) 7.403 23.497 ( -1.765 1.914 8.935) 9.307 23.866 ( -3.902 8.677 -10.954) 14.508 24.088 ( -9.908 -2.882 3.288) 10.830 24.218 ( 7.689 -7.868 -5.719) 12.399 24.508 ( -2.973 -16.807 -3.634) 17.451 25.749 ( -7.852 10.429 0.619) 13.069 26.149 ( -5.702 -4.579 3.208) 7.985 26.559 ( 9.919 14.802 -1.262) 17.863 27.135 ( 14.114 -10.738 -1.241) 17.778 ======================= Grid point 208 (110/172) ======================= q-point: (-0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -8.631 17.309 8.265) 21.033 1.519 ( -15.181 10.111 7.922) 19.886 1.964 ( -7.825 -6.030 6.814) 12.000 2.244 ( -4.665 -13.599 2.783) 14.643 2.357 ( -6.004 7.205 1.758) 9.542 2.508 ( -6.834 3.422 2.764) 8.128 2.775 ( -1.186 7.283 -0.943) 7.439 2.976 ( -3.520 5.211 -2.224) 6.670 3.017 ( -2.922 0.394 -8.387) 8.890 3.169 ( -6.583 -5.693 -5.280) 10.180 3.271 ( -11.483 3.559 3.054) 12.404 3.405 ( -3.714 0.500 -0.598) 3.795 3.452 ( -7.459 -3.399 -6.038) 10.181 3.638 ( 4.808 5.285 -5.019) 8.731 3.731 ( 8.557 0.189 1.333) 8.662 3.857 ( -2.972 -10.531 1.933) 11.112 4.003 ( 0.826 -1.629 4.471) 4.830 4.256 ( -4.333 -8.076 3.717) 9.890 4.316 ( -9.292 3.004 -0.998) 9.816 4.458 ( -9.553 -4.272 3.858) 11.153 4.680 ( -8.532 3.470 0.106) 9.211 4.734 ( -9.667 4.176 0.421) 10.539 4.778 ( 2.227 5.083 -3.980) 6.829 5.058 ( -12.195 -2.865 -7.536) 14.619 5.166 ( -2.546 -9.047 -0.918) 9.443 5.225 ( -6.540 -3.524 -3.431) 8.183 5.586 ( -7.714 2.439 1.408) 8.212 5.681 ( -2.567 -0.745 2.797) 3.869 5.894 ( -2.112 3.144 -4.576) 5.940 5.921 ( 2.540 -3.342 -6.064) 7.376 5.939 ( 0.723 1.593 -2.681) 3.201 6.107 ( -1.437 -0.652 -0.537) 1.667 6.165 ( 0.932 2.470 4.236) 4.991 6.274 ( 5.141 0.722 5.898) 7.857 6.597 ( 12.825 9.692 -5.162) 16.884 7.045 ( 13.750 -7.361 6.163) 16.770 7.319 ( 6.597 -1.194 4.185) 7.903 7.352 ( 8.341 -2.054 -0.547) 8.608 7.933 ( -0.591 -1.337 -0.646) 1.598 8.024 ( 2.243 -4.850 -0.468) 5.364 8.995 ( -0.146 5.852 -1.967) 6.176 9.161 ( -5.896 -1.024 -5.265) 7.971 9.554 ( 3.883 8.551 3.650) 10.076 9.945 ( 3.388 -7.682 2.390) 8.729 10.245 ( 0.193 3.774 -0.948) 3.896 10.460 ( -2.037 -4.231 -1.215) 4.850 10.538 ( -0.237 5.101 -2.938) 5.891 10.720 ( 5.878 -1.792 4.460) 7.593 10.925 ( 1.880 -2.141 0.169) 2.854 10.974 ( 2.272 -3.656 0.590) 4.345 11.288 ( 0.764 4.451 3.929) 5.986 11.442 ( -1.297 -2.425 -0.304) 2.767 12.639 ( -1.115 2.923 -2.270) 3.865 12.707 ( 2.045 0.420 1.304) 2.461 12.770 ( 1.288 2.909 3.097) 4.440 12.965 ( 5.075 -4.837 -0.887) 7.067 16.626 ( -0.456 0.214 -0.962) 1.086 16.662 ( 1.314 -1.622 -1.235) 2.425 16.844 ( 3.917 1.781 1.089) 4.439 16.894 ( 3.229 -0.594 1.360) 3.553 23.124 ( 0.784 3.427 -2.147) 4.119 23.194 ( -3.022 -0.261 -0.280) 3.046 23.367 ( -4.496 6.391 4.572) 9.053 23.594 ( -4.433 1.433 11.323) 12.244 23.691 ( 0.083 5.784 -9.372) 11.014 23.841 ( -12.524 -5.436 -8.260) 15.957 24.271 ( -2.431 -10.190 -0.526) 10.489 24.496 ( 0.189 -13.814 6.577) 15.301 25.628 ( -7.031 9.925 -0.748) 12.186 26.060 ( -9.145 -9.231 2.760) 13.283 26.773 ( 19.140 20.049 -2.869) 27.867 27.329 ( 13.964 -8.561 -4.110) 16.887 ======================= Grid point 209 (111/172) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -13.067 16.759 9.222) 23.166 1.474 ( -6.521 19.918 15.297) 25.947 1.939 ( -5.615 -6.917 6.254) 10.885 2.190 ( -5.682 -8.433 0.517) 10.182 2.231 ( -12.532 9.471 2.070) 15.844 2.372 ( -8.967 7.488 -1.823) 11.824 2.726 ( -5.215 7.342 -0.470) 9.018 2.831 ( -13.963 11.589 1.810) 18.236 2.920 ( 0.887 -1.188 -3.604) 3.897 3.041 ( -4.268 -4.391 1.988) 6.438 3.121 ( -4.318 1.298 -3.700) 5.832 3.304 ( -2.576 0.215 -6.142) 6.664 3.364 ( -1.034 -5.428 -1.044) 5.623 3.674 ( 5.332 0.072 -7.909) 9.539 3.787 ( 2.768 -1.236 0.577) 3.085 3.955 ( 3.203 -8.644 4.695) 10.345 4.112 ( 0.572 -4.265 4.254) 6.051 4.174 ( -3.490 -6.732 -2.241) 7.907 4.207 ( -3.001 0.953 4.891) 5.817 4.360 ( -10.107 -5.804 3.542) 12.182 4.527 ( -11.945 -0.877 0.713) 11.998 4.569 ( -9.016 3.818 -2.332) 10.065 4.671 ( -7.140 -7.591 -8.266) 13.302 4.812 ( -4.636 0.556 2.762) 5.425 5.098 ( -7.757 -2.768 2.839) 8.712 5.240 ( 1.399 -4.133 4.669) 6.391 5.488 ( -6.275 1.944 0.559) 6.593 5.606 ( -4.955 -4.474 -5.101) 8.401 5.810 ( 1.610 4.497 -6.552) 8.109 5.892 ( 3.527 -0.176 -6.519) 7.414 5.926 ( -0.728 1.891 1.543) 2.546 6.088 ( -0.072 -2.739 -1.442) 3.096 6.258 ( 0.595 5.917 7.445) 9.528 6.429 ( 5.255 0.183 5.218) 7.408 6.697 ( 10.112 15.224 -6.951) 19.553 7.257 ( 10.387 -5.931 -3.763) 12.539 7.469 ( 8.631 -1.094 -2.469) 9.043 7.490 ( 5.584 -5.787 6.800) 10.532 7.911 ( 0.239 0.433 -2.907) 2.949 8.055 ( 4.530 -5.102 -3.812) 7.816 8.931 ( -4.016 2.148 -4.701) 6.545 8.996 ( -6.445 -0.204 -4.091) 7.636 9.663 ( 3.564 8.824 4.425) 10.495 9.989 ( -0.870 -4.148 2.366) 4.854 10.274 ( 2.908 2.299 0.716) 3.776 10.394 ( -2.862 -0.215 -2.259) 3.653 10.524 ( 0.660 0.606 -0.203) 0.919 10.772 ( -0.032 -7.762 -0.719) 7.795 11.055 ( 8.798 0.469 5.800) 10.548 11.072 ( 6.675 0.026 1.053) 6.757 11.325 ( -1.034 2.516 2.522) 3.709 11.397 ( -2.927 -0.996 -0.849) 3.207 12.587 ( -1.155 3.533 -2.808) 4.658 12.722 ( -0.163 -1.670 -2.100) 2.688 12.843 ( 2.183 5.262 5.042) 7.607 13.074 ( 6.384 -4.148 3.656) 8.446 16.625 ( 0.523 0.496 0.595) 0.935 16.681 ( 1.920 -2.267 0.053) 2.972 16.906 ( 2.811 1.699 0.288) 3.297 16.946 ( 1.922 -0.275 0.503) 2.006 23.075 ( -1.358 5.864 -4.481) 7.505 23.159 ( -0.387 0.188 -2.200) 2.241 23.333 ( -5.114 2.039 2.366) 5.992 23.505 ( -7.868 1.524 -5.605) 9.780 23.588 ( -7.585 -2.535 -0.308) 8.003 23.755 ( -0.093 -0.252 10.922) 10.926 24.181 ( -9.689 -5.995 4.584) 12.281 24.605 ( 3.105 -14.316 5.075) 15.503 25.528 ( -4.672 9.349 -0.323) 10.457 25.951 ( -8.129 -9.667 1.808) 12.759 27.037 ( 21.076 17.412 -7.218) 28.275 27.436 ( 9.563 -4.162 -9.930) 14.401 ======================= Grid point 210 (112/172) ======================= q-point: (-0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -8.574 17.624 14.926) 24.635 1.481 ( -11.631 18.404 7.092) 22.897 1.879 ( -5.176 5.538 -5.385) 9.298 2.066 ( -8.272 -4.326 1.296) 9.425 2.109 ( -5.751 -7.057 3.045) 9.599 2.281 ( -2.303 2.559 2.291) 4.135 2.655 ( -4.654 14.025 3.979) 15.303 2.720 ( -4.871 6.841 5.167) 9.860 2.910 ( 1.994 0.026 -1.955) 2.792 2.978 ( -4.866 2.362 -2.311) 5.882 3.094 ( -0.961 -1.110 3.242) 3.559 3.252 ( 2.891 -1.228 -0.964) 3.285 3.350 ( 1.050 -5.973 -1.398) 6.224 3.642 ( 2.122 -6.336 -6.716) 9.474 3.792 ( -1.986 1.936 -3.346) 4.346 3.885 ( -8.432 -5.964 -1.446) 10.429 4.120 ( -2.198 -0.879 3.102) 3.902 4.164 ( -5.677 -0.709 1.948) 6.043 4.232 ( 4.249 -2.903 0.359) 5.158 4.329 ( -8.172 -9.077 6.368) 13.774 4.417 ( -6.653 5.211 0.987) 8.508 4.445 ( 7.889 1.961 1.959) 8.362 4.639 ( 0.066 -6.481 6.794) 9.390 4.790 ( -4.081 -5.178 4.308) 7.876 5.031 ( -1.436 -0.982 -2.226) 2.826 5.254 ( -7.396 -6.924 1.216) 10.204 5.412 ( -1.759 1.080 0.099) 2.066 5.494 ( -0.909 -4.750 -4.283) 6.460 5.794 ( 3.557 3.803 -2.306) 5.695 5.885 ( 4.063 2.537 -4.541) 6.600 5.955 ( 0.513 2.503 3.061) 3.987 6.067 ( 0.389 -3.023 -2.202) 3.761 6.331 ( -2.416 7.360 6.845) 10.337 6.541 ( 2.854 -1.312 2.597) 4.075 6.763 ( 7.326 14.036 -4.813) 16.549 7.281 ( 5.457 -5.333 -11.408) 13.724 7.537 ( 5.088 0.921 -5.148) 7.297 7.613 ( 1.599 -6.291 2.873) 7.099 7.849 ( -1.445 1.344 -6.259) 6.562 8.039 ( 1.502 -6.070 -8.275) 10.372 8.802 ( -3.241 1.282 -3.484) 4.928 8.881 ( -3.855 -1.994 -2.113) 4.828 9.756 ( 1.394 7.035 4.394) 8.411 9.997 ( -1.364 -2.266 2.551) 3.675 10.314 ( 1.094 -0.803 -2.229) 2.610 10.336 ( -1.452 1.084 0.627) 1.917 10.546 ( 1.534 0.762 0.801) 1.891 10.769 ( 0.604 -6.749 -0.294) 6.782 11.144 ( 1.592 2.883 -1.319) 3.548 11.245 ( 6.746 -0.392 3.027) 7.404 11.309 ( -3.258 1.386 0.898) 3.653 11.383 ( 0.677 -1.495 3.150) 3.552 12.547 ( 0.015 3.098 -2.166) 3.780 12.669 ( -1.755 -1.907 -3.390) 4.267 12.948 ( 1.990 7.571 6.464) 10.152 13.214 ( 4.895 -3.063 3.503) 6.754 16.654 ( 1.084 0.744 2.127) 2.501 16.720 ( 1.869 -2.426 1.315) 3.333 16.935 ( 1.114 1.438 -0.721) 1.957 16.963 ( 0.220 -0.058 -0.452) 0.506 22.998 ( -1.846 5.548 -2.587) 6.394 23.133 ( 0.215 -0.170 -1.787) 1.808 23.251 ( -6.223 -0.291 -1.401) 6.385 23.332 ( -4.985 -2.739 -2.250) 6.117 23.595 ( -0.720 4.435 7.636) 8.860 23.894 ( 1.404 1.617 10.059) 10.284 24.129 ( -6.214 -6.408 9.352) 12.928 24.694 ( 1.984 -16.603 2.910) 16.973 25.482 ( -1.752 8.234 1.274) 8.514 25.853 ( -6.107 -8.445 0.347) 10.427 27.211 ( 15.832 12.345 -13.296) 24.080 27.378 ( 1.518 2.256 -13.402) 13.675 ======================= Grid point 211 (113/172) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.143 -9.032 3.248) 9.835 1.707 ( -2.143 9.032 3.248) 9.835 1.784 ( 1.970 -9.272 2.534) 9.811 1.784 ( 1.970 9.272 2.534) 9.811 2.094 ( -2.505 -8.339 1.612) 8.855 2.094 ( -2.505 8.339 1.612) 8.855 2.749 ( -0.643 -0.976 -2.029) 2.342 2.749 ( -0.643 0.976 -2.029) 2.342 3.032 ( -0.617 -9.881 -1.471) 10.009 3.032 ( -0.617 9.881 -1.471) 10.009 3.208 ( -1.471 -8.712 -0.893) 8.880 3.208 ( -1.471 8.712 -0.893) 8.880 3.363 ( 1.284 -4.866 6.722) 8.397 3.363 ( 1.284 4.866 6.722) 8.397 3.755 ( -0.241 -3.345 -2.177) 3.999 3.755 ( -0.241 3.345 -2.177) 3.999 4.111 ( -4.894 -3.897 2.688) 6.809 4.111 ( -4.894 3.897 2.688) 6.809 4.242 ( 1.975 -3.250 -1.668) 4.153 4.242 ( 1.975 3.250 -1.668) 4.153 4.581 ( 1.314 -7.685 11.441) 13.845 4.581 ( 1.314 7.685 11.441) 13.845 4.758 ( 9.368 -3.771 2.567) 10.420 4.758 ( 9.368 3.771 2.567) 10.420 5.013 ( -0.524 -3.334 -5.841) 6.746 5.013 ( -0.524 3.334 -5.841) 6.746 5.397 ( -2.225 -1.705 2.837) 3.988 5.397 ( -2.225 1.705 2.837) 3.988 5.922 ( 2.738 -3.420 0.469) 4.407 5.922 ( 2.738 3.420 0.469) 4.407 6.025 ( 0.454 -2.401 0.731) 2.551 6.025 ( 0.454 2.401 0.731) 2.551 6.490 ( -2.808 -5.763 3.576) 7.340 6.490 ( -2.808 5.763 3.576) 7.340 7.005 ( 1.683 -11.294 -11.325) 16.082 7.005 ( 1.683 11.294 -11.325) 16.082 7.522 ( -2.913 -1.724 -8.211) 8.882 7.522 ( -2.913 1.724 -8.211) 8.882 7.796 ( -1.550 -4.531 -5.155) 7.036 7.796 ( -1.550 4.531 -5.155) 7.036 8.803 ( 2.125 -1.537 -1.091) 2.840 8.803 ( 2.125 1.537 -1.091) 2.840 9.919 ( -1.355 -5.216 1.579) 5.615 9.919 ( -1.355 5.216 1.579) 5.615 10.300 ( -0.248 -2.040 -0.658) 2.158 10.300 ( -0.248 2.040 -0.658) 2.158 10.694 ( 2.363 -5.320 3.273) 6.678 10.694 ( 2.363 5.320 3.273) 6.678 11.162 ( -2.979 -3.173 -2.793) 5.172 11.162 ( -2.979 3.173 -2.793) 5.172 11.410 ( 0.482 -1.599 3.555) 3.928 11.410 ( 0.482 1.599 3.555) 3.928 12.575 ( -0.131 -1.621 -2.271) 2.794 12.575 ( -0.131 1.621 -2.271) 2.794 13.204 ( 0.353 -6.418 4.705) 7.965 13.204 ( 0.353 6.418 4.705) 7.965 16.728 ( 1.179 -1.506 2.727) 3.331 16.728 ( 1.179 1.506 2.727) 3.331 16.939 ( -1.127 -0.408 -1.485) 1.909 16.939 ( -1.127 0.408 -1.485) 1.909 23.061 ( -0.474 -3.271 0.729) 3.385 23.061 ( -0.474 3.271 0.729) 3.385 23.209 ( -1.788 -2.813 -1.997) 3.885 23.209 ( -1.788 2.813 -1.997) 3.885 23.892 ( 2.344 -12.142 13.033) 17.967 23.892 ( 2.344 12.142 13.033) 17.967 24.346 ( 0.298 -17.970 -1.363) 18.024 24.346 ( 0.298 17.970 -1.363) 18.024 25.643 ( -0.905 -6.883 1.157) 7.038 25.643 ( -0.905 6.883 1.157) 7.038 27.284 ( 0.830 -2.032 -12.551) 12.741 27.284 ( 0.830 2.032 -12.551) 12.741 ======================= Grid point 213 (114/172) ======================= q-point: ( 0.08 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 5.804 -12.734 2.103) 14.151 1.759 ( 5.804 12.734 2.103) 14.151 1.900 ( 11.380 -9.137 -0.710) 14.612 1.900 ( 11.380 9.137 -0.710) 14.612 2.208 ( 3.955 -2.477 13.153) 13.956 2.208 ( 3.955 2.477 13.153) 13.956 2.688 ( -0.173 -1.754 -6.321) 6.562 2.688 ( -0.173 1.754 -6.321) 6.562 2.935 ( -5.532 -10.586 -3.889) 12.561 2.935 ( -5.532 10.586 -3.889) 12.561 3.243 ( 1.060 -4.006 4.189) 5.892 3.243 ( 1.060 4.006 4.189) 5.892 3.448 ( 1.137 -3.980 5.247) 6.684 3.448 ( 1.137 3.980 5.247) 6.684 3.751 ( 1.724 -2.945 -2.737) 4.374 3.751 ( 1.724 2.945 -2.737) 4.374 4.109 ( 1.631 -3.556 -0.500) 3.944 4.109 ( 1.631 3.556 -0.500) 3.944 4.247 ( 2.784 -3.040 -1.187) 4.290 4.247 ( 2.784 3.040 -1.187) 4.290 4.684 ( 1.191 -1.598 2.140) 2.924 4.684 ( 1.191 1.598 2.140) 2.924 4.935 ( 7.531 -1.563 0.092) 7.692 4.935 ( 7.531 1.563 0.092) 7.692 5.001 ( 7.488 -9.773 -1.601) 12.416 5.001 ( 7.488 9.773 -1.601) 12.416 5.450 ( 1.797 -3.284 6.055) 7.119 5.450 ( 1.797 3.284 6.055) 7.119 5.949 ( -1.404 -2.539 1.945) 3.494 5.949 ( -1.404 2.539 1.945) 3.494 6.028 ( -2.417 -5.046 1.997) 5.941 6.028 ( -2.417 5.046 1.997) 5.941 6.480 ( -1.511 -2.815 -0.215) 3.202 6.480 ( -1.511 2.815 -0.215) 3.202 6.800 ( -8.455 -6.710 -13.431) 17.231 6.800 ( -8.455 6.710 -13.431) 17.231 7.377 ( -2.623 -1.513 -2.609) 3.997 7.377 ( -2.623 1.513 -2.609) 3.997 7.770 ( 1.278 -2.178 -1.676) 3.031 7.770 ( 1.278 2.178 -1.676) 3.031 8.848 ( 5.320 -0.780 -1.967) 5.725 8.848 ( 5.320 0.780 -1.967) 5.725 9.897 ( -3.638 -3.624 1.098) 5.251 9.897 ( -3.638 3.624 1.098) 5.251 10.313 ( 2.491 -1.190 0.265) 2.774 10.313 ( 2.491 1.190 0.265) 2.774 10.759 ( 1.261 -2.989 2.011) 3.817 10.759 ( 1.261 2.989 2.011) 3.817 11.093 ( -2.422 -1.881 -0.985) 3.221 11.093 ( -2.422 1.881 -0.985) 3.221 11.417 ( -3.868 -1.819 2.155) 4.787 11.417 ( -3.868 1.819 2.155) 4.787 12.559 ( 0.804 -0.483 -1.263) 1.573 12.559 ( 0.804 0.483 -1.263) 1.573 13.224 ( -3.279 -4.122 2.724) 5.930 13.224 ( -3.279 4.122 2.724) 5.930 16.769 ( -0.115 -0.965 1.984) 2.209 16.769 ( -0.115 0.965 1.984) 2.209 16.895 ( -2.032 -0.138 -1.107) 2.318 16.895 ( -2.032 0.138 -1.107) 2.318 23.077 ( -0.874 -1.339 1.929) 2.505 23.077 ( -0.874 1.339 1.929) 2.505 23.170 ( 0.422 -3.153 -2.019) 3.767 23.170 ( 0.422 3.153 -2.019) 3.767 24.074 ( 2.796 -16.840 8.005) 18.854 24.074 ( 2.796 16.840 8.005) 18.854 24.341 ( 2.983 -17.175 -1.370) 17.486 24.341 ( 2.983 17.175 -1.370) 17.486 25.663 ( 1.439 -4.953 1.198) 5.295 25.663 ( 1.439 4.953 1.198) 5.295 27.124 ( -4.119 -5.563 -8.890) 11.267 27.124 ( -4.119 5.563 -8.890) 11.267 ======================= Grid point 215 (115/172) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 9.849 -8.381 2.968) 13.269 1.914 ( 9.849 8.381 2.968) 13.269 2.140 ( 17.209 -7.469 2.093) 18.876 2.140 ( 17.209 7.469 2.093) 18.876 2.409 ( 0.210 -2.405 9.585) 9.885 2.409 ( 0.210 2.405 9.585) 9.885 2.637 ( 5.188 -9.575 -7.104) 13.002 2.637 ( 5.188 9.575 -7.104) 13.002 2.825 ( -3.634 -6.068 0.543) 7.094 2.825 ( -3.634 6.068 0.543) 7.094 3.303 ( 0.411 -7.459 3.406) 8.210 3.303 ( 0.411 7.459 3.406) 8.210 3.540 ( 6.061 -5.268 -0.600) 8.053 3.540 ( 6.061 5.268 -0.600) 8.053 3.738 ( 1.227 -0.844 -0.429) 1.550 3.738 ( 1.227 0.844 -0.429) 1.550 4.068 ( -1.634 -3.325 -5.904) 6.970 4.068 ( -1.634 3.325 -5.904) 6.970 4.350 ( 8.106 -3.016 2.477) 8.996 4.350 ( 8.106 3.016 2.477) 8.996 4.696 ( -2.176 -3.380 0.458) 4.046 4.696 ( -2.176 3.380 0.458) 4.046 5.016 ( 9.943 -1.282 -2.341) 10.295 5.016 ( 9.943 1.282 -2.341) 10.295 5.138 ( 8.960 -9.569 -4.513) 13.864 5.138 ( 8.960 9.569 -4.513) 13.864 5.565 ( 2.355 -2.481 6.731) 7.551 5.565 ( 2.355 2.481 6.731) 7.551 5.900 ( -6.182 -1.202 -1.623) 6.504 5.900 ( -6.182 1.202 -1.623) 6.504 6.024 ( 0.846 -3.305 0.391) 3.434 6.024 ( 0.846 3.305 0.391) 3.434 6.331 ( -10.859 -4.852 -7.085) 13.844 6.331 ( -10.859 4.852 -7.085) 13.844 6.624 ( -2.751 -4.512 2.193) 5.722 6.624 ( -2.751 4.512 2.193) 5.722 7.379 ( 0.381 -2.334 3.600) 4.307 7.379 ( 0.381 2.334 3.600) 4.307 7.765 ( 0.578 -0.666 -1.918) 2.111 7.765 ( 0.578 0.666 -1.918) 2.111 8.911 ( 6.320 -0.551 -2.824) 6.945 8.911 ( 6.320 0.551 -2.824) 6.945 9.835 ( -6.238 -1.637 1.647) 6.656 9.835 ( -6.238 1.637 1.647) 6.656 10.382 ( 4.929 -1.737 1.251) 5.374 10.382 ( 4.929 1.737 1.251) 5.374 10.759 ( -0.807 -3.554 -3.028) 4.738 10.759 ( -0.807 3.554 -3.028) 4.738 11.072 ( -1.663 -2.798 2.151) 3.901 11.072 ( -1.663 2.798 2.151) 3.901 11.360 ( -5.269 -2.822 1.595) 6.186 11.360 ( -5.269 2.822 1.595) 6.186 12.570 ( 1.639 -2.277 -0.112) 2.808 12.570 ( 1.639 2.277 -0.112) 2.808 13.174 ( -5.602 -1.699 0.659) 5.891 13.174 ( -5.602 1.699 0.659) 5.891 16.750 ( -2.706 -0.293 -1.331) 3.030 16.750 ( -2.706 0.293 -1.331) 3.030 16.873 ( -1.091 -1.068 1.579) 2.196 16.873 ( -1.091 1.068 1.579) 2.196 23.054 ( -3.242 -0.603 0.411) 3.323 23.054 ( -3.242 0.603 0.411) 3.323 23.183 ( 1.533 -3.401 0.675) 3.791 23.183 ( 1.533 3.401 0.675) 3.791 24.109 ( -2.139 -19.121 -1.407) 19.292 24.109 ( -2.139 19.121 -1.407) 19.292 24.460 ( 10.311 -16.795 2.247) 19.835 24.460 ( 10.311 16.795 2.247) 19.835 25.708 ( 2.617 -7.580 0.922) 8.072 25.708 ( 2.617 7.580 0.922) 8.072 26.966 ( -6.057 -8.417 -3.812) 11.048 26.966 ( -6.057 8.417 -3.812) 11.048 ======================= Grid point 217 (116/172) ======================= q-point: ( 0.25 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 9.090 -5.602 4.573) 11.616 2.118 ( 9.090 5.602 4.573) 11.616 2.411 ( 7.280 -2.031 2.018) 7.823 2.411 ( 7.280 2.031 2.018) 7.823 2.435 ( 2.976 -8.770 1.787) 9.432 2.435 ( 2.976 8.770 1.787) 9.432 2.655 ( 7.430 -6.815 -5.421) 11.447 2.655 ( 7.430 6.815 -5.421) 11.447 2.892 ( 4.673 -2.645 6.315) 8.289 2.892 ( 4.673 2.645 6.315) 8.289 3.304 ( -0.315 -7.786 -4.864) 9.186 3.304 ( -0.315 7.786 -4.864) 9.186 3.591 ( 3.320 -1.044 -1.726) 3.885 3.591 ( 3.320 1.044 -1.726) 3.885 3.817 ( 6.186 -0.992 -1.171) 6.373 3.817 ( 6.186 0.992 -1.171) 6.373 3.991 ( -0.277 -3.938 0.824) 4.033 3.991 ( -0.277 3.938 0.824) 4.033 4.508 ( 8.270 -2.463 1.570) 8.770 4.508 ( 8.270 2.463 1.570) 8.770 4.635 ( -3.456 -2.752 -1.712) 4.738 4.635 ( -3.456 2.752 -1.712) 4.738 5.139 ( 4.499 -9.696 -6.964) 12.757 5.139 ( 4.499 9.696 -6.964) 12.757 5.191 ( 8.144 -1.530 0.778) 8.323 5.191 ( 8.144 1.530 0.778) 8.323 5.594 ( -5.541 -9.488 -3.072) 11.409 5.594 ( -5.541 9.488 -3.072) 11.409 5.798 ( 3.195 -0.656 -2.192) 3.930 5.798 ( 3.195 0.656 -2.192) 3.930 6.044 ( 1.575 -4.557 -1.189) 4.966 6.044 ( 1.575 4.557 -1.189) 4.966 6.181 ( -7.013 -3.192 5.968) 9.746 6.181 ( -7.013 3.192 5.968) 9.746 6.636 ( -1.928 -5.224 3.446) 6.549 6.636 ( -1.928 5.224 3.446) 6.549 7.431 ( -0.673 -5.045 3.952) 6.444 7.431 ( -0.673 5.045 3.951) 6.444 7.745 ( -0.443 -2.344 -1.079) 2.618 7.745 ( -0.443 2.344 -1.079) 2.618 8.978 ( 6.384 -0.700 -2.441) 6.871 8.978 ( 6.384 0.700 -2.441) 6.871 9.749 ( -8.006 -2.894 2.609) 8.904 9.749 ( -8.006 2.894 2.609) 8.904 10.481 ( 4.757 -5.255 1.890) 7.336 10.481 ( 4.757 5.255 1.890) 7.336 10.677 ( -1.539 -4.787 -6.545) 8.254 10.677 ( -1.539 4.787 -6.545) 8.254 11.057 ( -3.329 -3.131 0.905) 4.659 11.057 ( -3.329 3.131 0.905) 4.659 11.326 ( -2.272 -2.706 3.075) 4.684 11.326 ( -2.272 2.706 3.075) 4.684 12.604 ( 2.166 -3.078 0.650) 3.820 12.604 ( 2.166 3.078 0.650) 3.820 13.075 ( -6.377 -1.492 -1.278) 6.673 13.075 ( -6.377 1.492 -1.278) 6.673 16.680 ( -3.038 -0.454 -1.915) 3.620 16.680 ( -3.038 0.454 -1.915) 3.620 16.877 ( -1.311 -1.228 1.575) 2.389 16.877 ( -1.311 1.228 1.575) 2.389 23.009 ( -2.869 -1.514 0.797) 3.340 23.009 ( -2.869 1.514 0.797) 3.340 23.215 ( -0.674 -2.682 3.366) 4.356 23.215 ( -0.674 2.682 3.366) 4.356 24.034 ( -1.993 -18.288 -4.372) 18.909 24.034 ( -1.993 18.288 -4.372) 18.909 24.649 ( 11.358 -17.090 -0.583) 20.528 24.649 ( 11.358 17.090 -0.583) 20.528 25.763 ( 2.744 -11.912 1.470) 12.312 25.763 ( 2.744 11.912 1.470) 12.312 26.848 ( -6.087 -11.590 -0.318) 13.095 26.848 ( -6.087 11.590 -0.318) 13.095 ======================= Grid point 219 (117/172) ======================= q-point: ( 0.33 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -1.414 -6.170 0.944) 6.400 2.217 ( -1.414 6.170 0.944) 6.400 2.455 ( 2.594 -2.710 3.046) 4.832 2.455 ( 2.594 2.710 3.046) 4.832 2.582 ( 8.640 -6.963 -0.946) 11.137 2.582 ( 8.640 6.963 -0.946) 11.137 2.753 ( 8.121 -9.486 -1.508) 12.579 2.753 ( 8.121 9.486 -1.508) 12.579 3.054 ( 5.647 -5.529 4.997) 9.351 3.054 ( 5.647 5.529 4.997) 9.351 3.189 ( -0.969 -8.506 -9.607) 12.867 3.189 ( -0.969 8.506 -9.607) 12.867 3.616 ( 2.749 -5.351 -0.529) 6.039 3.616 ( 2.749 5.351 -0.529) 6.039 3.826 ( 1.555 -2.085 -4.501) 5.199 3.826 ( 1.555 2.085 -4.501) 5.199 4.105 ( 5.961 -7.290 4.213) 10.316 4.105 ( 5.961 7.290 4.213) 10.316 4.539 ( -1.022 -3.022 -3.339) 4.618 4.539 ( -1.022 3.022 -3.339) 4.618 4.669 ( 5.534 -2.940 2.738) 6.838 4.669 ( 5.534 2.940 2.738) 6.838 5.116 ( 2.167 -6.733 -3.365) 7.833 5.116 ( 2.167 6.733 -3.365) 7.833 5.245 ( -2.735 -1.850 1.909) 3.814 5.245 ( -2.735 1.850 1.909) 3.814 5.546 ( 5.594 -6.790 -0.719) 8.827 5.546 ( 5.594 6.790 -0.719) 8.827 5.859 ( 2.536 -2.257 0.860) 3.502 5.859 ( 2.536 2.257 0.860) 3.502 6.053 ( 1.491 -8.603 -1.082) 8.798 6.053 ( 1.491 8.603 -1.082) 8.798 6.182 ( -2.008 -1.635 3.612) 4.445 6.182 ( -2.008 1.635 3.612) 4.445 6.625 ( -3.494 -10.192 1.547) 10.884 6.625 ( -3.494 10.192 1.547) 10.884 7.422 ( -2.878 -6.419 -1.366) 7.166 7.422 ( -2.878 6.419 -1.366) 7.166 7.747 ( -0.189 -4.439 2.696) 5.197 7.747 ( -0.189 4.439 2.696) 5.197 9.051 ( 5.861 -1.575 -1.152) 6.177 9.051 ( 5.861 1.575 -1.152) 6.177 9.652 ( -8.609 -5.583 2.962) 10.680 9.652 ( -8.609 5.583 2.962) 10.680 10.527 ( -1.761 -8.493 -1.716) 8.841 10.527 ( -1.761 8.493 -1.716) 8.841 10.610 ( 3.328 -3.418 -3.218) 5.754 10.610 ( 3.328 3.418 -3.218) 5.754 11.007 ( -1.389 -2.283 -1.679) 3.156 11.007 ( -1.389 2.283 -1.679) 3.156 11.340 ( -1.871 -1.364 3.311) 4.040 11.340 ( -1.871 1.364 3.311) 4.040 12.648 ( 2.189 -2.584 0.783) 3.476 12.648 ( 2.189 2.584 0.783) 3.476 12.956 ( -5.587 -2.264 -2.595) 6.563 12.956 ( -5.587 2.264 -2.595) 6.563 16.623 ( -1.777 -0.362 -1.021) 2.081 16.623 ( -1.777 0.362 -1.021) 2.081 16.864 ( -1.848 -1.194 0.345) 2.228 16.864 ( -1.848 1.194 0.345) 2.228 22.998 ( -1.275 -2.160 3.177) 4.048 22.998 ( -1.275 2.160 3.177) 4.048 23.243 ( -2.868 -0.640 5.967) 6.651 23.243 ( -2.868 0.640 5.967) 6.651 23.963 ( 0.231 -16.636 -4.834) 17.326 23.963 ( 0.231 16.636 -4.834) 17.326 24.767 ( 8.033 -16.787 -5.835) 19.503 24.767 ( 8.033 16.787 -5.835) 19.503 25.837 ( 2.881 -14.738 3.808) 15.492 25.837 ( 2.881 14.738 3.808) 15.492 26.762 ( -5.191 -14.321 0.190) 15.234 26.762 ( -5.191 14.321 0.190) 15.234 ======================= Grid point 221 (118/172) ======================= q-point: ( 0.42 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -3.420 -8.287 -0.928) 9.012 2.170 ( -3.420 8.287 -0.928) 9.012 2.473 ( -2.123 -4.201 -1.758) 5.024 2.473 ( -2.123 4.201 -1.758) 5.024 2.666 ( 1.561 -2.537 -4.056) 5.033 2.666 ( 1.561 2.537 -4.056) 5.033 2.802 ( 1.304 -6.037 -3.986) 7.351 2.802 ( 1.304 6.037 -3.986) 7.351 3.008 ( 1.446 -5.987 -4.697) 7.746 3.008 ( 1.446 5.987 -4.697) 7.746 3.293 ( 9.236 -1.702 5.426) 10.846 3.293 ( 9.236 1.702 5.426) 10.846 3.697 ( 4.828 -2.039 1.118) 5.359 3.697 ( 4.828 2.039 1.118) 5.359 3.783 ( 1.520 -6.598 -2.688) 7.284 3.783 ( 1.520 6.598 -2.688) 7.284 4.204 ( 2.586 -9.348 1.517) 9.817 4.204 ( 2.586 9.348 1.517) 9.817 4.500 ( -2.793 -2.047 1.259) 3.684 4.500 ( -2.793 2.047 1.259) 3.684 4.781 ( 6.043 -4.958 1.433) 7.946 4.781 ( 6.043 4.958 1.433) 7.946 5.069 ( -3.230 -5.705 -2.897) 7.168 5.069 ( -3.230 5.705 -2.897) 7.168 5.340 ( 6.689 -6.511 8.641) 12.720 5.340 ( 6.689 6.511 8.641) 12.720 5.640 ( 3.782 -3.396 1.385) 5.268 5.640 ( 3.782 3.396 1.385) 5.268 5.894 ( 0.841 -1.650 0.995) 2.102 5.894 ( 0.841 1.650 0.995) 2.102 6.050 ( 0.330 -7.227 -1.948) 7.492 6.050 ( 0.330 7.227 -1.948) 7.492 6.179 ( -1.157 -1.472 -0.234) 1.886 6.179 ( -1.157 1.472 -0.234) 1.886 6.562 ( -4.896 -13.378 -1.259) 14.301 6.562 ( -4.896 13.378 -1.259) 14.301 7.326 ( -3.492 -4.034 -5.095) 7.378 7.326 ( -3.492 4.034 -5.095) 7.378 7.798 ( 0.593 -3.404 4.753) 5.877 7.798 ( 0.593 3.404 4.753) 5.877 9.133 ( 5.651 -3.029 -0.247) 6.417 9.133 ( 5.651 3.029 -0.247) 6.417 9.556 ( -7.880 -7.055 2.669) 10.908 9.556 ( -7.880 7.055 2.669) 10.908 10.457 ( -1.231 -6.692 -3.674) 7.733 10.457 ( -1.231 6.692 -3.674) 7.733 10.634 ( 1.415 -4.752 -1.321) 5.131 10.634 ( 1.415 4.752 -1.321) 5.131 10.998 ( 2.995 -3.797 -1.711) 5.130 10.998 ( 2.995 3.797 -1.711) 5.130 11.326 ( -4.187 -0.618 1.915) 4.646 11.326 ( -4.187 0.618 1.915) 4.646 12.679 ( 0.665 -0.640 0.054) 0.924 12.679 ( 0.665 0.640 0.054) 0.924 12.856 ( -2.564 -2.164 -2.657) 4.280 12.856 ( -2.564 2.164 -2.657) 4.280 16.606 ( 0.180 -0.547 0.295) 0.647 16.606 ( 0.180 0.547 0.295) 0.647 16.828 ( -2.112 -1.116 -1.061) 2.614 16.828 ( -2.112 1.116 -1.061) 2.614 23.049 ( 0.451 -2.791 6.272) 6.879 23.049 ( 0.451 2.791 6.272) 6.879 23.267 ( -4.183 -2.321 7.190) 8.636 23.267 ( -4.183 2.321 7.190) 8.636 23.937 ( 3.074 -14.501 -3.540) 15.240 23.937 ( 3.074 14.501 -3.540) 15.240 24.750 ( 2.574 -15.727 -10.759) 19.228 24.750 ( 2.574 15.727 -10.759) 19.228 25.943 ( 2.535 -14.692 6.469) 16.252 25.943 ( 2.535 14.692 6.469) 16.252 26.688 ( -3.268 -15.260 -1.433) 15.671 26.688 ( -3.268 15.260 -1.433) 15.671 ======================= Grid point 223 (119/172) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -5.286 -6.335 -3.571) 8.990 2.085 ( -5.286 6.335 -3.571) 8.990 2.340 ( -9.870 -4.845 -4.597) 11.917 2.340 ( -9.870 4.845 -4.597) 11.917 2.501 ( -3.572 -6.016 -9.947) 12.161 2.501 ( -3.572 6.016 -9.947) 12.161 2.811 ( 2.979 -2.561 -0.617) 3.977 2.811 ( 2.979 2.561 -0.617) 3.977 3.092 ( 5.614 -6.602 4.692) 9.855 3.092 ( 5.614 6.602 4.692) 9.855 3.448 ( 4.754 -3.298 -0.291) 5.793 3.448 ( 4.754 3.298 -0.291) 5.793 3.699 ( 2.087 -1.794 -3.055) 4.111 3.699 ( 2.087 1.794 -3.055) 4.111 3.879 ( 2.425 -5.627 3.753) 7.185 3.879 ( 2.425 5.627 3.753) 7.185 4.261 ( 0.952 -6.090 4.822) 7.826 4.261 ( 0.952 6.090 4.822) 7.826 4.472 ( -4.645 -5.053 4.584) 8.253 4.472 ( -4.645 5.053 4.584) 8.253 4.866 ( 0.881 -2.237 0.217) 2.414 4.866 ( 0.881 2.237 0.217) 2.414 4.996 ( 1.284 -3.370 -3.605) 5.099 4.996 ( 1.284 3.370 -3.605) 5.099 5.563 ( 4.731 -5.471 9.536) 11.969 5.563 ( 4.731 5.471 9.536) 11.969 5.685 ( 2.846 -1.944 -1.595) 3.798 5.685 ( 2.846 1.944 -1.595) 3.798 5.888 ( -0.484 -2.816 -2.641) 3.892 5.888 ( -0.484 2.816 -2.641) 3.892 6.029 ( -3.041 -3.177 1.404) 4.617 6.029 ( -3.041 3.177 1.404) 4.617 6.175 ( 3.112 -4.411 0.237) 5.404 6.175 ( 3.112 4.411 0.237) 5.404 6.441 ( -7.032 -12.282 -3.467) 14.571 6.441 ( -7.032 12.282 -3.467) 14.571 7.223 ( -1.616 -1.733 -4.580) 5.157 7.223 ( -1.616 1.733 -4.580) 5.157 7.864 ( 0.768 -1.496 4.121) 4.450 7.864 ( 0.768 1.496 4.121) 4.450 9.214 ( 4.945 -1.233 -0.756) 5.152 9.214 ( 4.945 1.233 -0.756) 5.152 9.484 ( -4.663 -4.096 2.681) 6.760 9.484 ( -4.663 4.096 2.681) 6.760 10.413 ( -0.202 -3.989 -2.043) 4.487 10.413 ( -0.202 3.989 -2.043) 4.487 10.620 ( 1.008 -1.947 -3.440) 4.080 10.620 ( 1.008 1.947 -3.440) 4.080 11.045 ( 3.630 -3.828 -0.738) 5.327 11.045 ( 3.630 3.828 -0.738) 5.327 11.266 ( -5.103 -1.361 1.635) 5.528 11.266 ( -5.103 1.361 1.635) 5.528 12.663 ( -1.527 -1.445 -0.759) 2.236 12.663 ( -1.527 1.445 -0.759) 2.236 12.823 ( 1.437 -1.707 -2.031) 3.018 12.823 ( 1.437 1.707 -2.031) 3.018 16.635 ( 2.039 -0.986 1.473) 2.702 16.635 ( 2.039 0.986 1.473) 2.702 16.777 ( -1.903 -0.887 -2.209) 3.048 16.777 ( -1.903 0.887 -2.209) 3.048 23.144 ( -0.612 -1.807 8.507) 8.718 23.144 ( -0.612 1.807 8.507) 8.718 23.290 ( -2.157 -3.560 5.933) 7.248 23.290 ( -2.157 3.560 5.933) 7.248 23.974 ( 4.576 -11.938 -0.632) 12.801 23.974 ( 4.576 11.938 -0.632) 12.801 24.604 ( -2.101 -14.197 -13.676) 19.824 24.604 ( -2.101 14.197 -13.676) 19.824 26.046 ( -0.840 -12.152 7.300) 14.201 26.046 ( -0.840 12.152 7.300) 14.201 26.642 ( 1.529 -13.895 -2.914) 14.279 26.642 ( 1.529 13.895 -2.914) 14.279 ======================= Grid point 225 (120/172) ======================= q-point: (-0.42 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -9.859 -4.256 -7.496) 13.096 1.885 ( -9.859 4.256 -7.496) 13.096 2.155 ( -11.366 -7.636 2.464) 13.913 2.155 ( -11.366 7.636 2.464) 13.913 2.408 ( 2.395 -3.185 -4.822) 6.255 2.408 ( 2.395 3.185 -4.822) 6.255 2.857 ( 2.050 -4.316 1.521) 5.015 2.857 ( 2.050 4.316 1.521) 5.015 3.245 ( 5.948 -3.929 4.933) 8.669 3.245 ( 5.948 3.929 4.933) 8.669 3.431 ( -0.559 -5.415 -6.376) 8.384 3.431 ( -0.559 5.415 -6.376) 8.384 3.701 ( -1.459 -7.212 -0.241) 7.362 3.701 ( -1.459 7.212 -0.241) 7.362 3.879 ( -2.196 -6.021 -1.854) 6.672 3.879 ( -2.196 6.021 -1.854) 6.672 4.267 ( -10.106 -1.439 5.690) 11.687 4.267 ( -10.106 1.439 5.690) 11.687 4.513 ( -1.089 -2.217 7.093) 7.510 4.513 ( -1.089 2.217 7.093) 7.510 4.817 ( -0.750 -3.473 -2.830) 4.543 4.817 ( -0.750 3.473 -2.830) 4.543 5.029 ( 3.772 -2.805 -1.465) 4.924 5.029 ( 3.772 2.805 -1.465) 4.924 5.571 ( -7.047 -2.712 -4.505) 8.793 5.571 ( -7.047 2.712 -4.505) 8.793 5.718 ( -0.017 -5.131 1.779) 5.431 5.718 ( -0.017 5.131 1.779) 5.431 5.891 ( 1.956 -3.168 0.167) 3.727 5.891 ( 1.956 3.168 0.167) 3.727 6.007 ( 1.777 -1.830 -0.304) 2.568 6.007 ( 1.777 1.830 -0.304) 2.568 6.264 ( -3.925 -7.511 -2.288) 8.779 6.264 ( -3.925 7.511 -2.288) 8.779 6.319 ( 4.304 -5.542 5.076) 8.660 6.319 ( 4.304 5.542 5.076) 8.660 7.181 ( 1.548 -0.943 -2.198) 2.849 7.181 ( 1.548 0.943 -2.198) 2.849 7.913 ( 0.373 -0.267 2.540) 2.581 7.913 ( 0.373 0.267 2.540) 2.581 9.235 ( -0.236 -6.463 -2.128) 6.809 9.235 ( -0.236 6.463 -2.128) 6.809 9.509 ( 3.394 -5.857 3.245) 7.507 9.509 ( 3.394 5.857 3.245) 7.507 10.393 ( -0.784 -0.725 -0.567) 1.209 10.393 ( -0.784 0.725 -0.567) 1.209 10.602 ( 3.034 -3.634 -4.109) 6.269 10.602 ( 3.034 3.634 -4.109) 6.269 11.033 ( -3.637 -2.246 -1.923) 4.687 11.033 ( -3.637 2.246 -1.923) 4.687 11.260 ( 0.785 -4.485 3.498) 5.742 11.260 ( 0.785 4.485 3.498) 5.742 12.641 ( -0.486 -1.297 0.363) 1.432 12.641 ( -0.486 1.297 0.363) 1.432 12.829 ( 2.308 -2.521 -2.535) 4.256 12.829 ( 2.308 2.521 -2.535) 4.256 16.689 ( 1.079 -1.117 0.686) 1.698 16.689 ( 1.079 1.117 0.686) 1.698 16.732 ( 0.935 -0.730 -1.331) 1.783 16.732 ( 0.935 0.730 -1.331) 1.783 23.195 ( -4.437 -4.381 6.706) 9.157 23.195 ( -4.437 4.381 6.706) 9.157 23.365 ( 2.441 -5.001 5.793) 8.032 23.365 ( 2.441 5.001 5.793) 8.032 24.048 ( 3.409 -8.055 1.443) 8.865 24.048 ( 3.409 8.055 1.443) 8.865 24.379 ( -4.922 -13.278 -13.754) 19.741 24.379 ( -4.922 13.278 -13.754) 19.741 26.061 ( -6.714 -10.157 4.858) 13.109 26.061 ( -6.714 10.157 4.858) 13.109 26.696 ( 9.384 -13.412 -1.788) 16.467 26.696 ( 9.384 13.412 -1.788) 16.467 ======================= Grid point 227 (121/172) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -7.210 -4.904 0.612) 8.741 1.700 ( -7.210 4.904 0.612) 8.741 2.018 ( -12.267 -7.444 5.345) 15.312 2.018 ( -12.267 7.444 5.345) 15.312 2.439 ( 3.730 -3.409 0.510) 5.079 2.439 ( 3.730 3.409 0.510) 5.079 2.905 ( 1.216 -7.309 2.110) 7.704 2.905 ( 1.216 7.309 2.110) 7.704 3.276 ( -3.017 -2.577 -10.310) 11.047 3.276 ( -3.017 2.577 -10.310) 11.047 3.399 ( 3.763 -2.013 2.382) 4.887 3.399 ( 3.763 2.013 2.382) 4.887 3.621 ( -8.862 -4.846 2.195) 10.336 3.621 ( -8.862 4.846 2.195) 10.336 3.806 ( -2.536 -4.579 -4.047) 6.616 3.806 ( -2.536 4.579 -4.047) 6.616 4.142 ( -9.981 -5.700 2.406) 11.743 4.142 ( -9.981 5.700 2.406) 11.743 4.494 ( -7.788 -2.666 2.405) 8.576 4.494 ( -7.788 2.666 2.405) 8.576 4.826 ( 1.090 -4.181 0.649) 4.369 4.826 ( 1.090 4.181 0.649) 4.369 5.031 ( -0.916 -8.381 -2.862) 8.904 5.031 ( -0.916 8.381 -2.862) 8.904 5.332 ( -11.361 -4.228 -8.373) 14.733 5.332 ( -11.361 4.228 -8.373) 14.733 5.721 ( -5.322 -3.692 4.348) 7.802 5.721 ( -5.322 3.692 4.348) 7.802 5.888 ( 1.937 -1.745 -3.402) 4.287 5.888 ( 1.937 1.745 -3.402) 4.287 6.062 ( 2.659 -4.313 0.093) 5.068 6.062 ( 2.659 4.313 0.093) 5.068 6.165 ( -2.207 -3.080 0.272) 3.799 6.165 ( -2.207 3.080 0.272) 3.799 6.558 ( 13.554 -9.337 6.267) 17.611 6.558 ( 13.554 9.337 6.267) 17.611 7.217 ( 4.599 -1.135 -0.015) 4.737 7.217 ( 4.599 1.135 -0.015) 4.737 7.937 ( 0.199 -1.313 0.818) 1.560 7.937 ( 0.199 1.313 0.818) 1.560 9.183 ( -2.453 -7.326 -2.394) 8.088 9.183 ( -2.453 7.326 -2.394) 8.088 9.630 ( 6.407 -9.911 2.871) 12.146 9.630 ( 6.407 9.911 2.871) 12.146 10.369 ( -1.335 -4.438 -0.566) 4.669 10.369 ( -1.335 4.438 -0.566) 4.669 10.626 ( 4.412 -3.147 -1.990) 5.774 10.626 ( 4.412 3.147 -1.990) 5.774 10.935 ( -4.660 -3.539 -1.378) 6.012 10.935 ( -4.660 3.539 -1.378) 6.012 11.330 ( 1.968 -5.598 3.151) 6.719 11.330 ( 1.968 5.598 3.151) 6.719 12.660 ( 1.014 -0.370 1.855) 2.147 12.660 ( 1.014 0.370 1.855) 2.147 12.832 ( 2.338 -4.428 -2.768) 5.722 12.832 ( 2.338 4.428 -2.768) 5.722 16.661 ( -0.743 -0.291 -2.117) 2.262 16.661 ( -0.743 0.291 -2.117) 2.262 16.795 ( 4.100 -1.317 1.720) 4.637 16.795 ( 4.100 1.317 1.720) 4.637 23.189 ( -3.124 -3.739 2.868) 5.654 23.189 ( -3.124 3.739 2.868) 5.654 23.470 ( 0.411 -4.665 7.149) 8.546 23.470 ( 0.411 4.665 7.149) 8.546 24.019 ( -4.636 -5.388 -10.689) 12.837 24.019 ( -4.636 5.388 -10.689) 12.837 24.217 ( -1.085 -10.249 0.496) 10.319 24.217 ( -1.085 10.249 0.496) 10.319 25.972 ( -9.141 -10.717 1.977) 14.224 25.972 ( -9.141 10.717 1.977) 14.224 26.875 ( 14.885 -14.489 -0.829) 20.789 26.875 ( 14.885 14.489 -0.829) 20.789 ======================= Grid point 229 (122/172) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -5.117 -1.904 7.653) 9.401 1.668 ( -5.117 1.904 7.653) 9.401 1.918 ( -9.837 -10.166 7.966) 16.235 1.918 ( -9.837 10.166 7.966) 16.235 2.488 ( -1.763 -4.998 2.734) 5.964 2.488 ( -1.763 4.998 2.734) 5.964 2.938 ( 1.144 -7.846 -0.553) 7.948 2.938 ( 1.144 7.846 -0.553) 7.948 3.069 ( -6.280 -3.159 -9.245) 11.614 3.069 ( -6.280 3.159 -9.245) 11.614 3.370 ( -7.293 -4.343 -1.778) 8.672 3.370 ( -7.293 4.343 -1.778) 8.672 3.569 ( -6.190 -13.344 4.556) 15.399 3.569 ( -6.190 13.344 4.556) 15.399 3.731 ( 3.727 -3.050 -5.417) 7.249 3.731 ( 3.727 3.050 -5.417) 7.249 4.063 ( -3.979 -7.797 3.244) 9.335 4.063 ( -3.979 7.797 3.244) 9.335 4.381 ( -8.226 -3.224 0.717) 8.864 4.381 ( -8.226 3.224 0.717) 8.864 4.773 ( -7.258 -3.482 -4.605) 9.274 4.773 ( -7.258 3.482 -4.605) 9.274 4.889 ( -12.220 -8.402 -2.733) 15.079 4.889 ( -12.220 8.402 -2.733) 15.079 5.149 ( -2.973 -3.518 0.036) 4.606 5.149 ( -2.973 3.518 0.036) 4.606 5.645 ( -7.464 -2.613 0.897) 7.959 5.645 ( -7.464 2.613 0.897) 7.959 5.889 ( 3.570 -0.258 -4.726) 5.928 5.889 ( 3.570 0.258 -4.726) 5.928 6.042 ( -1.670 -5.154 -2.308) 5.889 6.042 ( -1.670 5.154 -2.308) 5.889 6.238 ( 4.140 -3.617 6.034) 8.163 6.238 ( 4.140 3.617 6.034) 8.163 6.837 ( 14.831 -12.258 1.535) 19.302 6.837 ( 14.831 12.258 1.535) 19.302 7.317 ( 7.041 -1.025 1.280) 7.229 7.317 ( 7.041 1.025 1.280) 7.229 7.946 ( 1.318 -2.451 -0.825) 2.903 7.946 ( 1.318 2.451 -0.825) 2.903 9.101 ( -4.092 -4.337 -3.237) 6.785 9.101 ( -4.092 4.337 -3.237) 6.785 9.756 ( 5.221 -10.280 2.703) 11.842 9.756 ( 5.221 10.280 2.703) 11.842 10.346 ( -0.798 -5.740 -0.123) 5.797 10.346 ( -0.798 5.740 -0.123) 5.797 10.652 ( 0.164 -4.912 -1.587) 5.164 10.652 ( 0.164 4.912 -1.587) 5.164 10.918 ( 3.673 -1.541 1.910) 4.418 10.918 ( 3.673 1.541 1.910) 4.418 11.377 ( 0.025 -3.904 1.740) 4.274 11.377 ( 0.025 3.904 1.740) 4.274 12.691 ( 0.398 -1.858 -0.075) 1.902 12.691 ( 0.398 1.858 -0.075) 1.902 12.858 ( 3.653 -5.293 0.707) 6.470 12.858 ( 3.653 5.293 0.707) 6.470 16.637 ( 0.303 -0.864 -1.194) 1.505 16.637 ( 0.303 0.864 -1.194) 1.505 16.876 ( 3.646 -1.226 1.301) 4.060 16.876 ( 3.646 1.226 1.301) 4.060 23.173 ( -0.662 -1.740 -0.592) 1.954 23.173 ( -0.662 1.740 -0.592) 1.954 23.532 ( -5.304 -7.779 8.474) 12.667 23.532 ( -5.304 7.779 8.474) 12.667 23.761 ( -7.745 -2.506 -11.405) 14.012 23.761 ( -7.745 2.506 -11.405) 14.012 24.259 ( 0.274 -8.010 4.424) 9.155 24.259 ( 0.274 8.010 4.424) 9.155 25.847 ( -8.452 -11.051 0.731) 13.932 25.847 ( -8.452 11.051 0.731) 13.932 27.109 ( 17.060 -13.252 -2.956) 21.804 27.109 ( 17.060 13.252 -2.956) 21.804 ======================= Grid point 231 (123/172) ======================= q-point: (-0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -7.908 -12.776 8.873) 17.450 1.665 ( -7.908 12.776 8.873) 17.450 1.905 ( -5.900 -15.811 7.689) 18.545 1.905 ( -5.900 15.811 7.689) 18.545 2.401 ( -9.185 -5.273 -2.640) 10.915 2.401 ( -9.185 5.273 -2.640) 10.915 2.858 ( -4.259 -4.284 -5.017) 7.852 2.858 ( -4.259 4.284 -5.017) 7.852 2.985 ( -0.118 -1.220 0.829) 1.479 2.985 ( -0.118 1.220 0.829) 1.479 3.255 ( -4.407 -6.309 0.161) 7.697 3.255 ( -4.407 6.309 0.161) 7.697 3.454 ( -6.034 -17.122 -4.056) 18.602 3.454 ( -6.034 17.122 -4.056) 18.602 3.810 ( 6.254 -3.631 0.380) 7.242 3.810 ( 6.254 3.631 0.380) 7.242 4.074 ( -1.207 -1.783 3.541) 4.145 4.074 ( -1.207 1.783 3.541) 4.145 4.281 ( -6.935 -3.607 3.151) 8.428 4.281 ( -6.935 3.607 3.151) 8.428 4.540 ( -9.488 -3.152 -3.900) 10.731 4.540 ( -9.488 3.152 -3.900) 10.731 4.703 ( -11.209 -7.887 1.440) 13.781 4.703 ( -11.209 7.887 1.440) 13.781 5.149 ( -1.843 -4.903 2.591) 5.844 5.149 ( -1.843 4.903 2.591) 5.844 5.534 ( -5.962 -2.588 -1.416) 6.652 5.534 ( -5.962 2.588 -1.416) 6.652 5.873 ( 4.266 -1.605 -7.489) 8.767 5.873 ( 4.266 1.605 -7.489) 8.767 6.006 ( -0.713 -4.998 -0.066) 5.050 6.006 ( -0.713 4.998 -0.066) 5.050 6.374 ( 2.841 -4.792 6.539) 8.590 6.374 ( 2.841 4.792 6.539) 8.590 7.019 ( 10.383 -15.217 -4.522) 18.969 7.019 ( 10.383 15.217 -4.522) 18.969 7.449 ( 7.503 -0.780 0.881) 7.595 7.449 ( 7.503 0.780 0.881) 7.595 7.961 ( 3.513 -3.838 -3.636) 6.348 7.961 ( 3.513 3.838 -3.636) 6.348 8.973 ( -6.349 -1.791 -4.275) 7.861 8.973 ( -6.349 1.791 -4.275) 7.861 9.850 ( 2.717 -8.736 2.688) 9.535 9.850 ( 2.717 8.736 2.688) 9.535 10.339 ( -0.839 -3.719 0.622) 3.863 10.339 ( -0.839 3.719 0.622) 3.863 10.618 ( -0.634 -6.923 -1.310) 7.074 10.618 ( -0.634 6.923 -1.310) 7.074 11.067 ( 8.936 -0.512 3.760) 9.708 11.067 ( 8.936 0.512 3.760) 9.708 11.369 ( -2.368 -1.752 0.381) 2.970 11.369 ( -2.368 1.752 0.381) 2.970 12.665 ( -0.882 -3.617 -2.835) 4.680 12.665 ( -0.882 3.617 -2.835) 4.680 12.965 ( 4.911 -6.106 5.130) 9.365 12.965 ( 4.911 6.106 5.130) 9.365 16.643 ( 1.172 -1.375 0.327) 1.837 16.643 ( 1.172 1.375 0.327) 1.837 16.934 ( 2.395 -0.966 0.399) 2.613 16.934 ( 2.395 0.966 0.399) 2.613 23.149 ( 0.286 -1.579 -3.447) 3.802 23.149 ( 0.286 1.579 -3.447) 3.802 23.425 ( -11.078 -6.282 -2.212) 12.926 23.425 ( -11.078 6.282 -2.212) 12.926 23.648 ( -4.032 -6.293 7.618) 10.672 23.648 ( -4.032 6.293 7.618) 10.672 24.311 ( 0.594 -13.211 2.934) 13.546 24.311 ( 0.594 13.211 2.934) 13.546 25.738 ( -6.360 -10.765 0.518) 12.514 25.738 ( -6.360 10.765 0.518) 12.514 27.302 ( 14.893 -9.273 -7.698) 19.158 27.302 ( 14.893 9.273 -7.698) 19.158 ======================= Grid point 233 (124/172) ======================= q-point: (-0.08 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.136 -16.049 9.484) 19.336 1.666 ( -5.136 16.049 9.484) 19.336 1.846 ( -8.307 -13.926 1.193) 16.260 1.846 ( -8.307 13.926 1.193) 16.260 2.210 ( -7.745 -8.622 -4.852) 12.564 2.210 ( -7.745 8.622 -4.852) 12.564 2.774 ( -1.769 -3.125 -0.963) 3.718 2.774 ( -1.769 3.125 -0.963) 3.718 3.008 ( 0.648 -4.584 2.251) 5.148 3.008 ( 0.648 4.584 2.251) 5.148 3.251 ( 1.464 -4.138 1.250) 4.564 3.251 ( 1.464 4.138 1.250) 4.564 3.324 ( -4.052 -19.809 -3.256) 20.480 3.324 ( -4.052 19.809 -3.256) 20.480 3.822 ( -2.943 -1.034 -2.580) 4.048 3.822 ( -2.943 1.034 -2.580) 4.048 4.143 ( 1.210 -3.041 6.419) 7.205 4.143 ( 1.210 3.041 6.419) 7.205 4.207 ( -5.201 -2.284 1.948) 6.005 4.207 ( -5.201 2.284 1.948) 6.005 4.488 ( -2.470 -5.653 5.777) 8.452 4.488 ( -2.470 5.653 5.777) 8.452 4.618 ( -0.227 -10.005 3.983) 10.771 4.618 ( -0.227 10.005 3.983) 10.771 5.109 ( -3.314 -6.561 -2.779) 7.858 5.109 ( -3.314 6.561 -2.779) 7.858 5.439 ( -4.416 -1.486 -0.524) 4.688 5.439 ( -4.416 1.486 -0.524) 4.688 5.874 ( 5.553 -3.133 -4.555) 7.836 5.874 ( 5.553 3.133 -4.555) 7.836 6.009 ( 0.207 -2.630 0.838) 2.768 6.009 ( 0.207 2.630 0.838) 2.768 6.465 ( -0.544 -5.533 5.483) 7.808 6.465 ( -0.544 5.533 5.483) 7.808 7.061 ( 5.756 -14.248 -8.598) 17.608 7.061 ( 5.756 14.248 -8.598) 17.608 7.548 ( 5.028 -0.837 -1.401) 5.286 7.548 ( 5.028 0.837 -1.401) 5.286 7.926 ( 0.222 -4.959 -9.043) 10.315 7.926 ( 0.222 4.959 -9.043) 10.315 8.837 ( -4.228 -2.058 -2.635) 5.390 8.837 ( -4.228 2.058 -2.635) 5.390 9.904 ( 0.398 -6.574 2.316) 6.981 9.904 ( 0.398 6.574 2.316) 6.981 10.323 ( -1.460 -1.411 -0.289) 2.051 10.323 ( -1.460 1.411 -0.289) 2.051 10.628 ( 1.891 -6.323 1.393) 6.746 10.628 ( 1.891 6.323 1.393) 6.746 11.207 ( 3.267 -2.883 -0.694) 4.412 11.207 ( 3.267 2.883 -0.694) 4.412 11.347 ( -0.333 -2.005 2.870) 3.517 11.347 ( -0.333 2.005 2.870) 3.517 12.614 ( -0.853 -3.207 -2.914) 4.417 12.614 ( -0.853 3.207 -2.914) 4.417 13.105 ( 3.759 -7.095 6.013) 10.031 13.105 ( 3.759 7.095 6.013) 10.031 16.678 ( 1.503 -1.605 1.827) 2.858 16.678 ( 1.503 1.605 1.827) 2.858 16.956 ( 0.651 -0.677 -0.654) 1.144 16.956 ( 0.651 0.677 -0.654) 1.144 23.094 ( -1.937 -3.543 -2.723) 4.870 23.094 ( -1.937 3.543 -2.723) 4.870 23.275 ( -4.867 -2.421 -1.466) 5.630 23.275 ( -4.867 2.421 -1.466) 5.630 23.729 ( -1.913 -8.831 13.124) 15.934 23.729 ( -1.913 8.831 13.124) 15.934 24.343 ( 0.590 -16.684 0.746) 16.711 24.343 ( 0.590 16.684 0.746) 16.711 25.667 ( -3.695 -9.420 0.790) 10.150 25.667 ( -3.695 9.420 0.790) 10.150 27.366 ( 8.320 -3.728 -12.083) 15.137 27.366 ( 8.320 3.728 -12.083) 15.137 ======================= Grid point 259 (125/172) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -11.007 0.000 9.433) 14.496 1.247 ( 6.034 0.000 -2.152) 6.406 1.730 ( 7.925 0.000 10.987) 13.547 1.903 ( -3.928 0.000 -4.747) 6.161 2.307 ( -0.560 0.000 1.282) 1.399 2.367 ( 5.619 0.000 -5.395) 7.790 2.792 ( -1.657 0.000 7.010) 7.204 2.815 ( -2.722 0.000 16.657) 16.878 2.840 ( -0.668 0.000 -1.766) 1.888 3.054 ( -1.190 0.000 -3.446) 3.646 3.098 ( -2.758 0.000 7.102) 7.619 3.281 ( 5.407 0.000 -9.900) 11.280 3.561 ( -3.817 0.000 3.762) 5.359 3.573 ( 6.584 0.000 2.176) 6.934 3.650 ( 1.646 0.000 0.390) 1.691 3.748 ( -3.953 0.000 -6.107) 7.275 4.187 ( -4.537 0.000 4.548) 6.424 4.198 ( -5.429 0.000 3.579) 6.503 4.277 ( 4.986 0.000 -3.038) 5.839 4.332 ( 4.955 0.000 -8.292) 9.660 4.530 ( -3.912 0.000 6.230) 7.356 4.658 ( 3.312 0.000 -5.110) 6.089 4.888 ( -1.249 0.000 2.181) 2.513 4.895 ( -8.603 0.000 5.786) 10.368 4.998 ( -2.824 0.000 2.332) 3.663 5.038 ( 8.834 0.000 -4.835) 10.070 5.380 ( -5.955 0.000 -6.650) 8.926 5.404 ( 9.461 0.000 -7.989) 12.383 5.751 ( -4.883 0.000 3.289) 5.888 5.823 ( 4.861 0.000 -3.630) 6.067 6.011 ( 2.025 0.000 3.397) 3.954 6.130 ( 1.012 0.000 -5.850) 5.936 6.362 ( 1.712 0.000 7.735) 7.922 6.503 ( -1.748 0.000 -4.982) 5.280 6.705 ( -0.670 0.000 16.985) 16.999 7.026 ( -0.058 0.000 -11.967) 11.967 7.335 ( -3.950 0.000 -2.997) 4.958 7.335 ( 0.625 0.000 -2.718) 2.789 8.085 ( -0.450 0.000 0.966) 1.066 8.137 ( 1.630 0.000 -4.067) 4.382 8.786 ( 0.976 0.000 2.242) 2.446 8.839 ( -0.513 0.000 -2.584) 2.634 9.861 ( -0.833 0.000 7.454) 7.501 10.013 ( -0.052 0.000 -6.296) 6.297 10.327 ( 1.456 0.000 4.676) 4.898 10.394 ( 3.194 0.000 0.506) 3.234 10.521 ( 2.250 0.000 -1.895) 2.942 10.565 ( -7.332 0.000 -4.775) 8.750 11.265 ( 0.931 0.000 2.895) 3.041 11.319 ( 1.228 0.000 -1.874) 2.241 11.372 ( -0.539 0.000 4.000) 4.036 11.428 ( -1.602 0.000 -1.194) 1.998 12.519 ( 3.046 0.000 1.134) 3.251 12.551 ( -3.196 0.000 -1.801) 3.669 12.972 ( -1.288 0.000 6.102) 6.237 13.087 ( 1.573 0.000 -4.772) 5.024 16.754 ( 0.750 0.000 3.244) 3.330 16.816 ( -0.679 0.000 -2.527) 2.616 16.889 ( 1.976 0.000 1.490) 2.474 16.918 ( -2.032 0.000 -1.210) 2.365 22.954 ( 5.678 0.000 3.413) 6.624 23.020 ( -4.502 0.000 -2.753) 5.277 23.229 ( -2.107 0.000 1.054) 2.355 23.255 ( -1.539 0.000 -1.405) 2.084 23.630 ( -3.302 0.000 1.687) 3.708 23.655 ( 5.089 0.000 -0.690) 5.136 25.338 ( 5.857 0.000 2.379) 6.322 25.380 ( -9.228 0.000 0.361) 9.235 25.499 ( 8.076 0.000 7.077) 10.739 25.699 ( -4.393 0.000 -9.750) 10.694 26.466 ( -3.661 0.000 14.143) 14.609 26.785 ( 4.516 0.000 -15.736) 16.371 ======================= Grid point 260 (126/172) ======================= q-point: ( 0.08 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 12.899 0.000 6.671) 14.522 1.435 ( 19.036 0.000 -1.793) 19.121 1.784 ( 1.457 0.000 -9.389) 9.501 1.974 ( 10.055 0.000 2.356) 10.328 2.316 ( 2.561 0.000 0.114) 2.563 2.369 ( 2.473 0.000 -5.417) 5.955 2.808 ( -2.524 0.000 4.394) 5.067 2.825 ( -0.454 0.000 -0.900) 1.009 3.013 ( 2.560 0.000 10.959) 11.254 3.043 ( 11.010 0.000 -8.325) 13.803 3.116 ( -4.501 0.000 7.119) 8.423 3.236 ( 3.524 0.000 -9.460) 10.095 3.503 ( -4.896 0.000 -1.326) 5.072 3.594 ( -3.449 0.000 -9.217) 9.841 3.728 ( 10.898 0.000 1.930) 11.068 3.755 ( 3.543 0.000 6.409) 7.324 4.143 ( -6.681 0.000 3.146) 7.384 4.167 ( -5.482 0.000 2.144) 5.887 4.316 ( 5.288 0.000 -3.199) 6.180 4.362 ( 7.828 0.000 -0.840) 7.873 4.543 ( -4.176 0.000 5.802) 7.148 4.630 ( 1.667 0.000 -6.183) 6.403 4.850 ( -2.388 0.000 5.100) 5.632 4.868 ( -7.835 0.000 3.564) 8.608 5.023 ( 6.312 0.000 1.775) 6.556 5.157 ( 5.508 0.000 -9.563) 11.036 5.217 ( -3.595 0.000 4.765) 5.969 5.456 ( 4.392 0.000 -1.913) 4.791 5.758 ( 2.113 0.000 3.603) 4.177 5.854 ( 2.447 0.000 -4.406) 5.039 6.052 ( 0.211 0.000 -6.174) 6.177 6.090 ( 2.373 0.000 2.384) 3.364 6.383 ( -3.826 0.000 -6.361) 7.423 6.476 ( 0.737 0.000 4.620) 4.679 6.832 ( -3.337 0.000 -14.336) 14.719 6.868 ( -2.800 0.000 16.214) 16.454 7.308 ( -0.390 0.000 1.161) 1.224 7.370 ( 3.935 0.000 3.557) 5.304 8.095 ( -0.503 0.000 1.505) 1.587 8.122 ( 1.633 0.000 -2.634) 3.099 8.790 ( -1.518 0.000 -2.513) 2.936 8.820 ( 0.078 0.000 1.748) 1.749 9.913 ( -2.671 0.000 -6.999) 7.491 9.931 ( -1.962 0.000 8.221) 8.452 10.372 ( -2.143 0.000 -2.150) 3.035 10.385 ( 2.185 0.000 -6.766) 7.110 10.475 ( 0.707 0.000 3.912) 3.975 10.626 ( 6.462 0.000 5.446) 8.451 11.243 ( -6.324 0.000 -3.600) 7.277 11.276 ( -2.092 0.000 1.119) 2.373 11.393 ( -3.482 0.000 3.916) 5.240 11.396 ( 0.154 0.000 -1.820) 1.827 12.500 ( -0.748 0.000 -1.001) 1.250 12.598 ( 4.696 0.000 1.397) 4.900 13.008 ( -2.672 0.000 4.979) 5.650 13.036 ( -0.092 0.000 -5.608) 5.609 16.765 ( -1.613 0.000 -2.877) 3.298 16.796 ( -0.086 0.000 2.685) 2.687 16.862 ( -3.166 0.000 -1.375) 3.452 16.928 ( 0.641 0.000 1.401) 1.541 22.915 ( -3.349 0.000 -3.457) 4.813 23.062 ( 2.386 0.000 1.448) 2.791 23.238 ( -0.728 0.000 3.797) 3.866 23.270 ( 4.422 0.000 1.717) 4.743 23.571 ( -5.155 0.000 -0.557) 5.185 23.707 ( 3.739 0.000 -2.118) 4.297 25.233 ( -8.193 0.000 -0.671) 8.221 25.381 ( -5.969 0.000 0.374) 5.981 25.570 ( 5.317 0.000 -8.260) 9.823 25.690 ( 3.503 0.000 7.904) 8.646 26.606 ( -0.310 0.000 14.788) 14.792 26.683 ( 6.257 0.000 -15.511) 16.726 ======================= Grid point 261 (127/172) ======================= q-point: ( 0.17 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 13.872 0.000 -8.135) 16.081 1.706 ( 18.895 0.000 -5.880) 19.789 1.858 ( 18.411 0.000 0.376) 18.415 2.031 ( 2.158 0.000 -6.683) 7.022 2.342 ( 1.873 0.000 -4.574) 4.943 2.416 ( 8.946 0.000 1.976) 9.162 2.804 ( 0.256 0.000 -1.949) 1.966 2.816 ( -4.812 0.000 6.317) 7.942 3.099 ( -1.115 0.000 5.200) 5.318 3.155 ( 15.165 0.000 -13.658) 20.409 3.157 ( -3.161 0.000 3.563) 4.763 3.213 ( 11.432 0.000 -8.926) 14.503 3.425 ( -1.133 0.000 -0.128) 1.140 3.449 ( -0.752 0.000 -7.601) 7.638 3.851 ( -1.021 0.000 5.276) 5.374 3.943 ( 11.306 0.000 2.409) 11.560 4.066 ( -5.437 0.000 0.947) 5.519 4.094 ( -6.153 0.000 3.816) 7.240 4.431 ( 9.269 0.000 1.332) 9.364 4.472 ( 1.478 0.000 2.808) 3.174 4.547 ( -1.414 0.000 4.218) 4.449 4.578 ( 6.496 0.000 -8.252) 10.502 4.785 ( -7.575 0.000 3.381) 8.295 4.955 ( 4.129 0.000 8.822) 9.741 5.037 ( -1.955 0.000 -3.422) 3.941 5.186 ( 8.285 0.000 4.466) 9.412 5.335 ( 5.495 0.000 1.741) 5.764 5.540 ( 6.260 0.000 2.965) 6.927 5.745 ( -4.205 0.000 -8.716) 9.677 5.866 ( 5.483 0.000 2.883) 6.195 6.038 ( 0.900 0.000 0.523) 1.041 6.124 ( 1.257 0.000 -1.684) 2.102 6.258 ( -4.439 0.000 -3.235) 5.492 6.431 ( -6.743 0.000 -3.555) 7.623 6.610 ( -2.720 0.000 -14.290) 14.547 7.041 ( 1.334 0.000 13.635) 13.700 7.310 ( -2.188 0.000 1.975) 2.948 7.516 ( 3.784 0.000 8.866) 9.640 8.081 ( -4.380 0.000 0.809) 4.454 8.123 ( 0.864 0.000 -0.624) 1.066 8.754 ( 0.003 0.000 -0.374) 0.374 8.828 ( -0.688 0.000 0.514) 0.859 9.770 ( -5.142 0.000 -6.404) 8.213 9.995 ( -2.646 0.000 8.294) 8.706 10.287 ( -3.874 0.000 -1.977) 4.349 10.335 ( 3.217 0.000 -8.277) 8.880 10.577 ( 4.621 0.000 2.185) 5.112 10.800 ( 5.832 0.000 6.259) 8.555 11.088 ( -7.364 0.000 -2.224) 7.693 11.234 ( -3.508 0.000 -1.280) 3.734 11.357 ( -5.750 0.000 3.260) 6.610 11.379 ( 0.497 0.000 -2.124) 2.182 12.510 ( 2.005 0.000 0.836) 2.172 12.683 ( 4.251 0.000 0.698) 4.308 12.957 ( -1.143 0.000 -5.871) 5.982 13.007 ( -3.993 0.000 3.542) 5.338 16.704 ( -1.746 0.000 -2.547) 3.088 16.792 ( -3.734 0.000 -1.207) 3.925 16.812 ( -1.087 0.000 1.529) 1.876 16.941 ( -0.736 0.000 0.961) 1.211 22.846 ( -1.240 0.000 -2.102) 2.440 23.067 ( -2.146 0.000 1.325) 2.522 23.295 ( -0.235 0.000 6.802) 6.806 23.366 ( 1.334 0.000 -1.035) 1.688 23.504 ( 0.722 0.000 1.029) 1.257 23.727 ( 3.419 0.000 -3.482) 4.880 25.141 ( -3.520 0.000 1.511) 3.830 25.221 ( -7.064 0.000 -6.506) 9.604 25.612 ( 5.402 0.000 -2.401) 5.911 25.761 ( -4.136 0.000 4.164) 5.869 26.619 ( 8.154 0.000 -13.557) 15.820 26.807 ( 2.505 0.000 15.306) 15.510 ======================= Grid point 262 (128/172) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 17.980 0.000 -11.792) 21.502 1.774 ( 10.633 0.000 -20.112) 22.750 2.061 ( 7.001 0.000 3.190) 7.693 2.174 ( 13.301 0.000 3.106) 13.658 2.312 ( 1.720 0.000 -4.454) 4.775 2.624 ( 11.984 0.000 1.919) 12.137 2.758 ( 2.457 0.000 -9.570) 9.880 2.815 ( -5.104 0.000 8.449) 9.871 3.045 ( -7.727 0.000 -0.737) 7.762 3.191 ( -2.104 0.000 1.631) 2.663 3.201 ( 4.458 0.000 6.150) 7.595 3.329 ( 25.435 0.000 -18.674) 31.554 3.451 ( 8.220 0.000 -3.327) 8.867 3.460 ( 2.028 0.000 0.854) 2.201 3.859 ( -5.173 0.000 6.127) 8.019 4.017 ( -1.920 0.000 -1.130) 2.228 4.020 ( -1.624 0.000 0.487) 1.695 4.121 ( -0.932 0.000 8.011) 8.065 4.419 ( -3.566 0.000 -2.398) 4.298 4.613 ( 5.026 0.000 0.115) 5.027 4.648 ( 14.560 0.000 4.439) 15.221 4.700 ( -5.141 0.000 4.845) 7.065 4.719 ( 9.569 0.000 -1.166) 9.640 5.015 ( 2.827 0.000 -2.087) 3.514 5.179 ( 4.936 0.000 14.267) 15.097 5.345 ( 6.694 0.000 1.199) 6.801 5.359 ( 0.143 0.000 -7.459) 7.460 5.630 ( -0.960 0.000 1.017) 1.399 5.701 ( 7.240 0.000 4.784) 8.678 5.978 ( 6.479 0.000 -0.146) 6.480 6.057 ( -1.523 0.000 3.258) 3.597 6.081 ( -0.553 0.000 -6.348) 6.372 6.176 ( -3.872 0.000 0.186) 3.876 6.238 ( -7.463 0.000 -8.196) 11.084 6.435 ( -0.210 0.000 -9.783) 9.785 7.179 ( -0.026 0.000 6.431) 6.431 7.286 ( -3.705 0.000 1.758) 4.101 7.659 ( 0.642 0.000 7.631) 7.658 7.951 ( -11.414 0.000 -1.202) 11.478 8.128 ( -0.799 0.000 1.261) 1.492 8.794 ( 1.878 0.000 3.845) 4.279 8.815 ( -0.592 0.000 -0.758) 0.962 9.624 ( -3.806 0.000 -4.861) 6.174 10.037 ( -4.379 0.000 7.614) 8.784 10.208 ( -3.926 0.000 -0.993) 4.050 10.298 ( 4.861 0.000 -8.092) 9.440 10.632 ( 2.060 0.000 -1.841) 2.763 10.924 ( 1.547 0.000 4.019) 4.306 11.010 ( -1.180 0.000 1.113) 1.623 11.115 ( -6.866 0.000 -5.148) 8.581 11.338 ( -1.869 0.000 4.591) 4.957 11.355 ( -0.562 0.000 -2.165) 2.237 12.568 ( 2.837 0.000 1.737) 3.327 12.739 ( 2.871 0.000 -0.769) 2.972 12.868 ( -1.365 0.000 -5.486) 5.654 12.972 ( -4.935 0.000 2.441) 5.506 16.657 ( -0.951 0.000 -1.605) 1.865 16.722 ( -3.620 0.000 -0.753) 3.697 16.798 ( -1.891 0.000 0.101) 1.894 16.928 ( -1.886 0.000 0.274) 1.906 22.828 ( 0.262 0.000 0.479) 0.546 23.066 ( -1.192 0.000 3.949) 4.125 23.297 ( -5.542 0.000 1.016) 5.635 23.384 ( -0.492 0.000 8.407) 8.421 23.595 ( 6.900 0.000 -1.171) 6.998 23.742 ( 3.752 0.000 -2.557) 4.540 25.034 ( -4.624 0.000 -9.316) 10.400 25.162 ( 0.941 0.000 4.512) 4.609 25.658 ( 3.390 0.000 -1.208) 3.599 25.666 ( -9.195 0.000 -1.648) 9.341 26.618 ( 10.394 0.000 -10.815) 15.000 27.009 ( -0.142 0.000 13.774) 13.775 ======================= Grid point 263 (129/172) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 14.794 0.000 -14.948) 21.031 1.795 ( 22.882 0.000 -7.747) 24.157 2.243 ( 8.188 0.000 4.954) 9.570 2.285 ( -2.055 0.000 2.291) 3.078 2.306 ( 3.340 0.000 -2.208) 4.004 2.679 ( 4.193 0.000 -11.274) 12.029 2.695 ( 0.906 0.000 -3.194) 3.320 2.873 ( -7.563 0.000 7.240) 10.470 3.021 ( 3.563 0.000 8.245) 8.981 3.164 ( -1.910 0.000 0.396) 1.951 3.377 ( 4.121 0.000 5.552) 6.914 3.459 ( 0.188 0.000 -1.872) 1.881 3.525 ( 14.359 0.000 -5.937) 15.538 3.544 ( 13.726 0.000 -9.062) 16.448 3.878 ( -1.157 0.000 7.107) 7.200 3.942 ( -2.385 0.000 -3.949) 4.613 4.033 ( 1.153 0.000 2.602) 2.846 4.233 ( 0.961 0.000 10.957) 10.999 4.350 ( -2.522 0.000 -1.331) 2.852 4.616 ( -5.729 0.000 1.026) 5.820 4.653 ( 2.028 0.000 -4.200) 4.664 4.842 ( -1.263 0.000 1.816) 2.212 4.931 ( 12.498 0.000 2.354) 12.717 5.085 ( 11.017 0.000 -4.072) 11.745 5.243 ( 3.582 0.000 -6.024) 7.008 5.415 ( 3.463 0.000 -1.662) 3.841 5.419 ( 2.144 0.000 13.867) 14.032 5.716 ( 3.139 0.000 7.200) 7.855 5.793 ( -2.710 0.000 -1.316) 3.012 5.992 ( 4.299 0.000 -5.679) 7.123 6.042 ( -5.779 0.000 -4.000) 7.028 6.078 ( -0.294 0.000 0.639) 0.703 6.088 ( 4.288 0.000 0.792) 4.360 6.139 ( 0.036 0.000 0.492) 0.493 6.383 ( 2.916 0.000 -3.528) 4.577 7.186 ( -3.560 0.000 -0.305) 3.573 7.240 ( -3.698 0.000 0.432) 3.723 7.574 ( -10.926 0.000 -10.014) 14.820 7.861 ( -4.111 0.000 10.248) 11.042 8.125 ( -2.426 0.000 2.287) 3.334 8.799 ( 0.657 0.000 -1.691) 1.814 8.857 ( -1.714 0.000 4.563) 4.874 9.575 ( 2.444 0.000 -0.543) 2.504 10.040 ( -5.531 0.000 5.993) 8.156 10.151 ( -2.740 0.000 0.680) 2.823 10.289 ( 4.711 0.000 -6.387) 7.937 10.614 ( -0.174 0.000 -2.773) 2.779 10.898 ( -8.232 0.000 -5.121) 9.695 10.971 ( -0.387 0.000 -1.871) 1.911 11.056 ( 2.813 0.000 1.988) 3.445 11.308 ( -1.083 0.000 -2.535) 2.757 11.391 ( -0.140 0.000 5.329) 5.331 12.622 ( 1.776 0.000 0.922) 2.001 12.751 ( 1.273 0.000 -2.648) 2.938 12.792 ( -0.329 0.000 -4.568) 4.579 12.917 ( -5.298 0.000 1.928) 5.638 16.642 ( 0.511 0.000 -0.329) 0.608 16.666 ( -2.804 0.000 -0.111) 2.806 16.760 ( -2.078 0.000 -1.160) 2.380 16.890 ( -2.738 0.000 -0.571) 2.797 22.864 ( 1.453 0.000 3.179) 3.495 23.112 ( -3.055 0.000 6.543) 7.221 23.285 ( 1.081 0.000 5.097) 5.210 23.454 ( -1.229 0.000 4.779) 4.935 23.661 ( 5.024 0.000 -2.709) 5.708 23.800 ( 2.566 0.000 4.376) 5.073 24.865 ( -0.832 0.000 -11.566) 11.596 25.223 ( -3.767 0.000 4.278) 5.701 25.489 ( -5.209 0.000 -4.605) 6.953 25.688 ( 2.323 0.000 -1.466) 2.747 26.683 ( 12.178 0.000 -7.970) 14.554 27.100 ( -6.206 0.000 9.400) 11.264 ======================= Grid point 264 (130/172) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 18.336 0.000 -4.348) 18.845 2.068 ( 19.015 0.000 -4.455) 19.530 2.236 ( -7.491 0.000 4.721) 8.855 2.307 ( 2.725 0.000 -1.931) 3.340 2.436 ( 4.099 0.000 3.899) 5.657 2.650 ( -0.990 0.000 -4.312) 4.424 2.664 ( 9.166 0.000 -4.699) 10.300 2.810 ( -6.644 0.000 4.131) 7.824 3.129 ( -1.264 0.000 -3.329) 3.561 3.205 ( 1.818 0.000 12.590) 12.721 3.283 ( -10.148 0.000 -3.918) 10.878 3.507 ( -3.166 0.000 5.299) 6.173 3.578 ( 4.054 0.000 -4.393) 5.978 3.669 ( 13.728 0.000 -10.757) 17.440 3.894 ( 2.505 0.000 -2.663) 3.656 3.984 ( -1.254 0.000 7.776) 7.877 4.119 ( 5.911 0.000 3.313) 6.776 4.313 ( 3.333 0.000 -4.185) 5.350 4.347 ( -6.574 0.000 9.588) 11.625 4.579 ( 0.755 0.000 -8.294) 8.328 4.580 ( -0.834 0.000 2.048) 2.211 4.749 ( -6.418 0.000 -1.753) 6.653 5.072 ( 1.194 0.000 -5.720) 5.843 5.124 ( 8.586 0.000 -0.125) 8.587 5.428 ( 7.711 0.000 8.937) 11.804 5.458 ( 4.851 0.000 0.499) 4.876 5.582 ( 4.241 0.000 5.666) 7.077 5.658 ( -6.930 0.000 -2.713) 7.442 5.833 ( 2.063 0.000 2.740) 3.430 5.952 ( 1.637 0.000 -2.756) 3.205 5.994 ( -0.970 0.000 -1.748) 1.999 6.092 ( -3.665 0.000 5.101) 6.281 6.096 ( 0.325 0.000 -1.563) 1.596 6.232 ( 6.974 0.000 -1.847) 7.215 6.426 ( 5.275 0.000 1.280) 5.428 7.054 ( -9.173 0.000 -6.464) 11.222 7.187 ( -2.471 0.000 -0.909) 2.633 7.288 ( -7.252 0.000 -8.462) 11.144 7.946 ( -0.248 0.000 8.097) 8.101 8.108 ( -2.972 0.000 1.994) 3.579 8.802 ( 2.903 0.000 -2.184) 3.633 8.843 ( -4.854 0.000 2.726) 5.567 9.677 ( 6.997 0.000 3.748) 7.938 10.007 ( -6.191 0.000 3.189) 6.964 10.150 ( -0.086 0.000 2.907) 2.908 10.285 ( 2.272 0.000 -3.503) 4.175 10.574 ( -0.674 0.000 -2.745) 2.826 10.694 ( -5.850 0.000 -8.312) 10.164 10.963 ( 1.050 0.000 -1.031) 1.471 11.060 ( -3.382 0.000 -1.720) 3.794 11.325 ( 5.135 0.000 0.979) 5.227 11.433 ( -2.310 0.000 4.258) 4.845 12.636 ( -0.717 0.000 0.160) 0.735 12.721 ( 0.105 0.000 -3.759) 3.761 12.769 ( 3.324 0.000 -2.773) 4.329 12.855 ( -5.261 0.000 1.410) 5.447 16.635 ( -1.346 0.000 0.545) 1.452 16.666 ( 2.048 0.000 0.935) 2.252 16.712 ( -1.489 0.000 -1.937) 2.443 16.831 ( -3.243 0.000 -1.372) 3.521 22.946 ( 2.829 0.000 4.875) 5.637 23.108 ( -5.813 0.000 5.771) 8.191 23.412 ( 5.956 0.000 1.381) 6.113 23.459 ( -1.540 0.000 0.181) 1.550 23.730 ( 5.666 0.000 3.684) 6.758 23.903 ( -2.852 0.000 11.146) 11.505 24.753 ( 5.969 0.000 -12.611) 13.952 25.050 ( -14.477 0.000 -4.767) 15.242 25.489 ( 3.589 0.000 2.224) 4.222 25.691 ( 1.179 0.000 -2.691) 2.938 26.803 ( 13.354 0.000 -5.287) 14.362 27.047 ( -11.180 0.000 5.081) 12.280 ======================= Grid point 265 (131/172) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 1.971 0.000 2.317) 3.042 2.139 ( -11.271 0.000 5.648) 12.607 2.221 ( 1.426 0.000 -2.966) 3.291 2.351 ( 8.458 0.000 -5.158) 9.906 2.472 ( 0.808 0.000 2.110) 2.260 2.550 ( -3.922 0.000 -4.250) 5.782 2.839 ( 4.601 0.000 1.710) 4.908 2.861 ( 13.443 0.000 2.445) 13.664 3.043 ( 0.346 0.000 -7.200) 7.208 3.051 ( -9.872 0.000 -4.860) 11.003 3.360 ( -0.960 0.000 11.913) 11.951 3.490 ( -8.945 0.000 9.002) 12.690 3.560 ( 2.048 0.000 -6.664) 6.972 3.712 ( 9.000 0.000 -11.156) 14.333 3.949 ( -8.764 0.000 2.159) 9.026 3.967 ( 8.108 0.000 -0.126) 8.109 4.229 ( -16.840 0.000 7.286) 18.348 4.254 ( 2.423 0.000 7.580) 7.958 4.397 ( 14.217 0.000 -6.978) 15.838 4.461 ( -2.834 0.000 -11.369) 11.717 4.618 ( -1.005 0.000 5.067) 5.165 4.683 ( -2.612 0.000 0.532) 2.666 5.049 ( -2.018 0.000 2.825) 3.472 5.153 ( -0.187 0.000 -4.150) 4.154 5.540 ( -3.935 0.000 3.662) 5.375 5.573 ( -6.063 0.000 6.726) 9.056 5.591 ( 9.324 0.000 -1.227) 9.404 5.684 ( 3.334 0.000 0.423) 3.361 5.886 ( 5.782 0.000 0.282) 5.789 5.932 ( -2.582 0.000 -3.513) 4.360 6.008 ( 2.805 0.000 2.534) 3.780 6.058 ( -2.407 0.000 -2.434) 3.423 6.082 ( -3.810 0.000 4.415) 5.832 6.245 ( 4.708 0.000 -8.564) 9.773 6.597 ( 8.539 0.000 8.004) 11.704 6.786 ( -10.980 0.000 -9.138) 14.285 7.154 ( -0.271 0.000 -0.606) 0.664 7.173 ( -0.567 0.000 -2.720) 2.779 8.036 ( 1.727 0.000 4.820) 5.120 8.081 ( -2.319 0.000 0.495) 2.371 8.796 ( -4.071 0.000 1.710) 4.416 8.839 ( 5.447 0.000 -2.521) 6.002 9.847 ( 7.593 0.000 4.687) 8.923 9.910 ( -8.227 0.000 -0.743) 8.260 10.215 ( 2.905 0.000 3.906) 4.867 10.273 ( -0.121 0.000 -2.087) 2.090 10.526 ( -1.341 0.000 -2.386) 2.737 10.553 ( -0.986 0.000 -5.186) 5.279 10.974 ( -4.146 0.000 -0.539) 4.181 10.982 ( 3.006 0.000 -0.940) 3.149 11.414 ( -5.235 0.000 2.357) 5.741 11.432 ( 5.674 0.000 0.710) 5.718 12.627 ( -0.958 0.000 1.406) 1.702 12.677 ( 0.030 0.000 -3.231) 3.232 12.787 ( -5.076 0.000 0.866) 5.149 12.816 ( 5.554 0.000 -1.726) 5.816 16.638 ( 0.387 0.000 1.207) 1.267 16.673 ( -0.305 0.000 -2.061) 2.083 16.723 ( 3.176 0.000 1.667) 3.586 16.761 ( -3.219 0.000 -1.827) 3.701 23.062 ( 4.627 0.000 4.468) 6.433 23.081 ( -4.549 0.000 3.029) 5.465 23.423 ( -2.615 0.000 -0.494) 2.661 23.443 ( 1.200 0.000 -3.519) 3.718 23.929 ( -8.871 0.000 7.571) 11.662 23.946 ( 11.304 0.000 7.652) 13.650 24.747 ( -15.653 0.000 -5.265) 16.515 24.781 ( 13.410 0.000 -7.522) 15.376 25.572 ( 2.061 0.000 3.412) 3.986 25.656 ( -0.545 0.000 -4.236) 4.271 26.896 ( -13.788 0.000 3.058) 14.123 26.965 ( 13.918 0.000 -3.464) 14.343 ======================= Grid point 266 (132/172) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -21.907 0.000 -1.759) 21.977 1.977 ( -17.556 0.000 3.239) 17.852 2.189 ( -6.274 0.000 5.833) 8.567 2.370 ( 4.114 0.000 -6.393) 7.602 2.472 ( -3.210 0.000 -0.129) 3.212 2.574 ( 3.690 0.000 3.070) 4.800 2.706 ( -11.802 0.000 -7.651) 14.065 2.937 ( 8.268 0.000 -9.707) 12.750 3.091 ( 10.473 0.000 0.566) 10.489 3.174 ( 11.690 0.000 6.082) 13.178 3.439 ( -8.662 0.000 8.736) 12.302 3.463 ( -5.717 0.000 9.830) 11.372 3.465 ( -1.165 0.000 -11.307) 11.367 3.689 ( 4.309 0.000 -10.472) 11.324 3.837 ( -7.039 0.000 2.262) 7.393 4.031 ( -8.560 0.000 3.874) 9.396 4.142 ( -0.281 0.000 2.893) 2.906 4.286 ( -1.351 0.000 -5.144) 5.318 4.367 ( -1.411 0.000 7.923) 8.048 4.531 ( 11.819 0.000 -5.567) 13.064 4.623 ( -3.428 0.000 -1.881) 3.911 4.649 ( -2.966 0.000 7.160) 7.750 5.046 ( -6.958 0.000 6.001) 9.189 5.083 ( -1.679 0.000 -3.504) 3.886 5.457 ( -6.971 0.000 0.218) 6.974 5.572 ( -5.917 0.000 4.240) 7.279 5.632 ( 0.005 0.000 -5.319) 5.319 5.701 ( 2.542 0.000 -3.493) 4.321 5.846 ( 0.039 0.000 -4.709) 4.709 5.972 ( -4.046 0.000 -3.055) 5.070 5.979 ( 3.758 0.000 0.368) 3.776 6.064 ( 1.808 0.000 0.959) 2.046 6.110 ( -2.410 0.000 7.350) 7.735 6.241 ( 7.037 0.000 -7.458) 10.254 6.526 ( -9.676 0.000 -7.168) 12.042 6.859 ( 10.470 0.000 10.791) 15.035 7.177 ( 2.781 0.000 2.052) 3.456 7.178 ( 3.089 0.000 -0.282) 3.102 8.050 ( -0.713 0.000 -1.637) 1.785 8.109 ( 2.340 0.000 2.007) 3.083 8.768 ( -1.514 0.000 1.172) 1.915 8.905 ( 6.882 0.000 -3.153) 7.570 9.745 ( -9.900 0.000 -2.364) 10.178 10.004 ( 6.227 0.000 3.146) 6.976 10.228 ( -0.175 0.000 -4.150) 4.154 10.282 ( 1.260 0.000 -1.538) 1.989 10.530 ( 2.388 0.000 5.587) 6.076 10.536 ( 1.426 0.000 0.189) 1.438 10.939 ( -1.031 0.000 1.221) 1.598 11.036 ( 4.301 0.000 0.298) 4.311 11.332 ( -7.045 0.000 0.581) 7.069 11.495 ( 2.809 0.000 -1.510) 3.189 12.647 ( -0.157 0.000 3.082) 3.086 12.653 ( 0.480 0.000 -1.570) 1.641 12.725 ( -4.138 0.000 1.181) 4.304 12.888 ( 6.113 0.000 -1.688) 6.342 16.656 ( 0.807 0.000 -1.491) 1.696 16.674 ( 1.979 0.000 1.569) 2.526 16.695 ( -2.227 0.000 -1.761) 2.839 16.797 ( 3.533 0.000 1.770) 3.951 23.032 ( -2.689 0.000 -1.962) 3.329 23.185 ( 6.781 0.000 0.619) 6.810 23.371 ( -4.702 0.000 1.596) 4.966 23.414 ( -2.299 0.000 1.183) 2.585 23.819 ( -9.139 0.000 -0.987) 9.193 24.174 ( 12.665 0.000 -7.754) 14.850 24.492 ( -14.342 0.000 7.713) 16.285 24.973 ( 15.558 0.000 0.701) 15.574 25.572 ( -2.795 0.000 -5.393) 6.075 25.627 ( 0.050 0.000 3.115) 3.115 26.711 ( -14.450 0.000 3.396) 14.843 27.140 ( 13.528 0.000 -3.642) 14.010 ======================= Grid point 267 (133/172) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -23.512 0.000 4.106) 23.867 1.674 ( -24.610 0.000 3.434) 24.849 2.161 ( -9.273 0.000 9.571) 13.327 2.346 ( -0.381 0.000 -3.635) 3.655 2.396 ( -7.443 0.000 -6.560) 9.922 2.474 ( -9.035 0.000 4.910) 10.283 2.627 ( 0.599 0.000 2.425) 2.498 2.989 ( 7.298 0.000 -4.424) 8.535 3.198 ( 1.827 0.000 -1.664) 2.472 3.251 ( -6.626 0.000 -13.135) 14.711 3.364 ( -9.478 0.000 5.324) 10.871 3.392 ( 7.880 0.000 2.820) 8.369 3.460 ( -6.542 0.000 4.128) 7.735 3.563 ( -5.150 0.000 -9.943) 11.198 3.827 ( -0.876 0.000 6.495) 6.554 3.927 ( -5.298 0.000 1.511) 5.509 4.113 ( 0.649 0.000 -2.084) 2.182 4.352 ( -7.046 0.000 1.754) 7.261 4.355 ( 5.667 0.000 -1.972) 6.000 4.591 ( 1.675 0.000 2.705) 3.182 4.606 ( 3.405 0.000 -0.850) 3.509 4.749 ( 0.362 0.000 9.560) 9.567 4.938 ( -12.846 0.000 2.263) 13.044 5.037 ( 0.062 0.000 -2.667) 2.668 5.340 ( -11.382 0.000 -11.630) 16.273 5.378 ( -4.585 0.000 1.538) 4.836 5.610 ( -1.369 0.000 -1.311) 1.895 5.724 ( 2.676 0.000 1.474) 3.055 5.859 ( 4.229 0.000 -1.512) 4.491 5.869 ( -3.990 0.000 -1.024) 4.120 5.987 ( -2.317 0.000 -0.794) 2.449 6.104 ( -0.540 0.000 -0.942) 1.086 6.127 ( -0.221 0.000 1.991) 2.003 6.234 ( 3.437 0.000 -8.499) 9.167 6.339 ( -6.904 0.000 -0.845) 6.956 7.125 ( 7.592 0.000 5.966) 9.656 7.247 ( 5.596 0.000 -0.180) 5.598 7.335 ( 9.738 0.000 10.471) 14.299 8.023 ( 1.826 0.000 -4.200) 4.580 8.151 ( 1.398 0.000 0.013) 1.398 8.777 ( 1.136 0.000 0.625) 1.296 8.958 ( 5.067 0.000 -4.838) 7.005 9.576 ( -8.482 0.000 -0.372) 8.490 10.107 ( 3.391 0.000 1.187) 3.593 10.191 ( 1.405 0.000 -3.186) 3.482 10.236 ( -1.404 0.000 -2.847) 3.174 10.570 ( 1.178 0.000 1.432) 1.854 10.721 ( 8.144 0.000 9.840) 12.773 10.958 ( 1.589 0.000 0.706) 1.739 11.092 ( 1.162 0.000 -1.243) 1.702 11.248 ( -3.608 0.000 2.678) 4.493 11.483 ( -0.369 0.000 -3.365) 3.385 12.640 ( -0.999 0.000 -0.768) 1.261 12.685 ( -0.271 0.000 3.383) 3.394 12.708 ( -0.836 0.000 3.021) 3.135 12.960 ( 6.016 0.000 -2.091) 6.369 16.641 ( -1.354 0.000 -0.407) 1.413 16.677 ( 2.401 0.000 -1.183) 2.677 16.732 ( 2.928 0.000 1.405) 3.248 16.869 ( 3.161 0.000 1.349) 3.437 22.953 ( -1.992 0.000 -4.787) 5.184 23.245 ( 2.324 0.000 -5.571) 6.037 23.340 ( -0.292 0.000 2.084) 2.105 23.412 ( -3.128 0.000 5.417) 6.255 23.661 ( -7.004 0.000 -3.020) 7.627 24.042 ( -4.466 0.000 -15.140) 15.786 24.595 ( 3.819 0.000 13.686) 14.209 25.248 ( 14.997 0.000 3.548) 15.411 25.449 ( -4.827 0.000 -3.921) 6.219 25.649 ( -1.330 0.000 2.213) 2.582 26.541 ( -13.691 0.000 5.284) 14.675 27.276 ( 11.145 0.000 -6.902) 13.109 ======================= Grid point 268 (134/172) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -16.184 0.000 18.635) 24.682 1.360 ( -23.173 0.000 8.749) 24.770 2.132 ( -11.181 0.000 12.710) 16.928 2.171 ( -8.075 0.000 -6.763) 10.533 2.226 ( -11.710 0.000 -2.563) 11.987 2.478 ( -7.240 0.000 13.391) 15.223 2.640 ( -4.604 0.000 0.424) 4.624 2.987 ( -5.173 0.000 -2.889) 5.925 3.058 ( 5.225 0.000 -6.448) 8.299 3.069 ( -18.110 0.000 4.837) 18.745 3.309 ( -0.502 0.000 -5.345) 5.368 3.339 ( -5.525 0.000 -7.940) 9.673 3.392 ( -3.725 0.000 1.569) 4.041 3.502 ( 4.242 0.000 -2.719) 5.038 3.917 ( 0.724 0.000 0.336) 0.799 3.934 ( 3.200 0.000 6.657) 7.386 4.115 ( 5.029 0.000 -5.832) 7.701 4.262 ( -2.874 0.000 -2.246) 3.647 4.363 ( -0.452 0.000 0.924) 1.029 4.602 ( -2.835 0.000 -0.432) 2.868 4.693 ( -3.134 0.000 1.850) 3.640 4.763 ( -3.259 0.000 0.289) 3.272 4.776 ( -11.920 0.000 -3.609) 12.454 4.885 ( -9.510 0.000 2.344) 9.795 5.227 ( 5.613 0.000 1.464) 5.800 5.328 ( -5.058 0.000 1.733) 5.346 5.506 ( -3.050 0.000 -11.184) 11.592 5.743 ( -1.930 0.000 -7.990) 8.220 5.792 ( -1.047 0.000 2.110) 2.356 5.910 ( -3.250 0.000 -1.680) 3.658 6.002 ( 3.782 0.000 8.382) 9.196 6.020 ( -3.219 0.000 0.467) 3.252 6.184 ( 3.003 0.000 -4.395) 5.323 6.187 ( 3.940 0.000 -0.533) 3.976 6.287 ( -3.660 0.000 4.577) 5.861 7.237 ( 3.352 0.000 0.008) 3.352 7.330 ( 6.144 0.000 -1.978) 6.455 7.637 ( 8.446 0.000 9.205) 12.493 8.019 ( 6.364 0.000 -5.579) 8.463 8.152 ( -0.466 0.000 -0.848) 0.968 8.812 ( 2.715 0.000 -0.168) 2.720 8.914 ( -1.573 0.000 -7.116) 7.288 9.523 ( -0.858 0.000 4.807) 4.883 10.125 ( -3.552 0.000 2.757) 4.496 10.199 ( 2.407 0.000 -0.487) 2.455 10.216 ( 3.909 0.000 -3.923) 5.539 10.601 ( 0.670 0.000 1.075) 1.266 10.964 ( 5.531 0.000 6.637) 8.639 10.990 ( 4.609 0.000 0.312) 4.620 11.044 ( -1.331 0.000 -2.303) 2.660 11.288 ( 0.517 0.000 4.321) 4.352 11.421 ( -1.409 0.000 -3.433) 3.711 12.605 ( -1.745 0.000 -1.550) 2.334 12.707 ( -1.500 0.000 2.215) 2.675 12.756 ( 0.572 0.000 4.798) 4.832 13.024 ( 5.652 0.000 -2.490) 6.176 16.630 ( -0.213 0.000 0.821) 0.849 16.716 ( 3.375 0.000 -0.216) 3.382 16.791 ( 2.944 0.000 0.671) 3.019 16.924 ( 2.251 0.000 0.644) 2.342 22.871 ( -1.842 0.000 -3.479) 3.937 23.163 ( -2.615 0.000 -4.608) 5.298 23.371 ( 5.030 0.000 -5.136) 7.189 23.433 ( -2.328 0.000 4.419) 4.995 23.557 ( -5.306 0.000 1.638) 5.553 23.802 ( -6.967 0.000 -8.587) 11.058 24.824 ( 7.171 0.000 9.890) 12.216 25.279 ( -2.863 0.000 -6.908) 7.478 25.568 ( 11.673 0.000 7.667) 13.966 25.639 ( -2.369 0.000 0.954) 2.554 26.419 ( -11.825 0.000 7.851) 14.194 27.293 ( 5.321 0.000 -12.715) 13.783 ======================= Grid point 269 (135/172) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -14.215 0.000 15.926) 21.347 1.391 ( -13.968 0.000 21.410) 25.564 1.917 ( -20.595 0.000 -4.630) 21.109 2.019 ( -2.010 0.000 -4.119) 4.584 2.136 ( -10.997 0.000 18.032) 21.121 2.485 ( -8.356 0.000 -3.424) 9.030 2.546 ( -9.920 0.000 19.716) 22.071 2.863 ( -12.983 0.000 4.883) 13.871 2.938 ( 1.967 0.000 -5.135) 5.499 3.139 ( 3.776 0.000 4.391) 5.791 3.183 ( -8.351 0.000 -1.375) 8.464 3.209 ( 0.462 0.000 -5.344) 5.364 3.419 ( 6.485 0.000 -2.526) 6.960 3.492 ( 2.253 0.000 -6.590) 6.964 3.913 ( -1.423 0.000 -0.764) 1.615 4.001 ( -4.133 0.000 -1.593) 4.429 4.139 ( 8.087 0.000 -6.315) 10.261 4.195 ( -0.230 0.000 -4.868) 4.874 4.399 ( -3.282 0.000 7.470) 8.159 4.461 ( -12.072 0.000 -2.513) 12.331 4.528 ( -7.986 0.000 -1.827) 8.192 4.561 ( -0.276 0.000 1.185) 1.216 4.834 ( 3.630 0.000 0.404) 3.653 4.875 ( -6.736 0.000 9.679) 11.793 5.233 ( -5.205 0.000 -14.322) 15.238 5.246 ( -6.239 0.000 -1.205) 6.354 5.388 ( 5.876 0.000 -1.018) 5.963 5.657 ( 0.498 0.000 -2.582) 2.630 5.673 ( -3.406 0.000 -9.379) 9.979 5.874 ( -4.277 0.000 2.042) 4.739 6.053 ( -2.444 0.000 0.693) 2.541 6.080 ( 3.453 0.000 4.211) 5.446 6.218 ( 0.206 0.000 2.349) 2.358 6.322 ( 9.945 0.000 5.890) 11.559 6.341 ( 1.095 0.000 7.698) 7.776 7.231 ( -0.147 0.000 -5.216) 5.218 7.378 ( 4.525 0.000 -4.078) 6.091 7.694 ( -2.776 0.000 -5.402) 6.073 8.111 ( 8.527 0.000 -2.241) 8.817 8.124 ( -1.807 0.000 -0.587) 1.900 8.791 ( -3.117 0.000 -4.347) 5.349 8.848 ( 2.654 0.000 -1.122) 2.881 9.634 ( 4.295 0.000 6.800) 8.043 10.097 ( -3.457 0.000 2.228) 4.113 10.237 ( 3.712 0.000 -2.882) 4.699 10.246 ( 2.450 0.000 1.752) 3.012 10.606 ( -0.449 0.000 -1.034) 1.127 10.922 ( -3.946 0.000 -5.226) 6.549 11.054 ( 3.969 0.000 1.112) 4.122 11.174 ( 6.256 0.000 4.586) 7.757 11.327 ( -1.121 0.000 2.910) 3.118 11.397 ( 2.133 0.000 -0.826) 2.287 12.545 ( -2.612 0.000 -2.427) 3.566 12.687 ( -3.017 0.000 0.396) 3.043 12.830 ( 0.485 0.000 5.929) 5.949 13.074 ( 4.836 0.000 -2.939) 5.659 16.653 ( 0.794 0.000 2.144) 2.286 16.772 ( 3.491 0.000 0.588) 3.541 16.833 ( 2.055 0.000 -0.456) 2.105 16.952 ( 0.972 0.000 -0.105) 0.978 22.826 ( -0.608 0.000 -0.343) 0.699 23.100 ( -0.017 0.000 -2.004) 2.004 23.364 ( -1.498 0.000 -1.332) 2.004 23.413 ( -2.444 0.000 -2.552) 3.534 23.524 ( 0.664 0.000 -0.660) 0.936 23.659 ( -4.995 0.000 1.152) 5.126 25.049 ( 7.590 0.000 8.723) 11.563 25.188 ( 0.104 0.000 -3.167) 3.169 25.597 ( -3.694 0.000 -0.248) 3.702 25.796 ( 9.001 0.000 1.522) 9.129 26.365 ( -9.188 0.000 10.445) 13.911 27.142 ( -1.323 0.000 -16.290) 16.343 ======================= Grid point 270 (136/172) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -6.205 0.000 10.513) 12.208 1.292 ( -22.673 0.000 11.996) 25.651 1.614 ( -9.068 0.000 1.421) 9.179 1.983 ( -1.748 0.000 -0.901) 1.966 2.238 ( -1.462 0.000 12.984) 13.066 2.371 ( -0.328 0.000 -3.910) 3.924 2.640 ( -11.025 0.000 24.612) 26.969 2.799 ( -2.953 0.000 2.920) 4.153 2.890 ( -0.713 0.000 -4.011) 4.073 3.077 ( -5.476 0.000 3.839) 6.687 3.115 ( -2.649 0.000 -1.581) 3.085 3.290 ( 6.821 0.000 -4.268) 8.046 3.469 ( 4.213 0.000 -1.782) 4.574 3.507 ( 6.634 0.000 -0.958) 6.703 3.772 ( -13.122 0.000 -3.370) 13.548 3.855 ( -3.178 0.000 -2.775) 4.219 4.192 ( 1.972 0.000 -0.276) 1.991 4.199 ( 2.559 0.000 -0.622) 2.634 4.323 ( -5.512 0.000 -1.486) 5.709 4.350 ( -3.277 0.000 -0.627) 3.337 4.507 ( -0.684 0.000 4.034) 4.092 4.631 ( 6.487 0.000 -2.177) 6.842 4.878 ( 0.011 0.000 3.613) 3.613 4.902 ( -5.134 0.000 8.744) 10.140 5.013 ( -2.040 0.000 -7.225) 7.507 5.110 ( -4.797 0.000 -6.164) 7.811 5.402 ( 5.239 0.000 -9.777) 11.092 5.525 ( -1.763 0.000 -8.775) 8.950 5.720 ( 1.506 0.000 6.636) 6.805 5.829 ( -1.107 0.000 -1.826) 2.136 6.005 ( -3.057 0.000 -0.327) 3.074 6.140 ( 2.080 0.000 -0.523) 2.144 6.274 ( 1.056 0.000 4.203) 4.334 6.500 ( 1.562 0.000 14.816) 14.898 6.504 ( 5.202 0.000 1.882) 5.532 7.134 ( -0.094 0.000 -8.751) 8.751 7.372 ( 1.582 0.000 -4.754) 5.010 7.513 ( -7.244 0.000 -8.934) 11.502 8.093 ( -1.560 0.000 0.235) 1.578 8.157 ( 2.846 0.000 -4.228) 5.097 8.751 ( 0.394 0.000 0.620) 0.734 8.861 ( 1.286 0.000 -1.989) 2.369 9.770 ( 2.255 0.000 6.570) 6.946 10.068 ( -0.537 0.000 -2.380) 2.439 10.267 ( 1.350 0.000 1.703) 2.173 10.314 ( 2.906 0.000 2.806) 4.039 10.562 ( -1.039 0.000 -3.720) 3.862 10.754 ( -7.500 0.000 -6.572) 9.972 11.170 ( 5.870 0.000 3.307) 6.738 11.280 ( 3.805 0.000 0.927) 3.916 11.340 ( -1.241 0.000 3.243) 3.473 11.436 ( 2.006 0.000 -0.179) 2.014 12.494 ( -0.688 0.000 -0.560) 0.887 12.627 ( -3.864 0.000 -1.166) 4.036 12.907 ( -0.156 0.000 6.440) 6.442 13.099 ( 3.386 0.000 -3.739) 5.044 16.701 ( 1.124 0.000 3.048) 3.249 16.834 ( 2.985 0.000 1.193) 3.215 16.841 ( 0.674 0.000 -1.634) 1.767 16.950 ( -0.542 0.000 -0.754) 0.929 22.852 ( 2.386 0.000 2.460) 3.427 23.087 ( -0.886 0.000 -0.993) 1.331 23.289 ( -5.740 0.000 -0.157) 5.742 23.323 ( -2.688 0.000 -4.050) 4.861 23.573 ( 5.873 0.000 -0.713) 5.916 23.641 ( -2.899 0.000 3.904) 4.863 25.220 ( 5.805 0.000 0.201) 5.808 25.270 ( 7.210 0.000 9.213) 11.699 25.515 ( -5.501 0.000 -1.636) 5.739 25.843 ( 0.185 0.000 -5.995) 5.998 26.383 ( -6.322 0.000 12.725) 14.209 26.930 ( 0.143 0.000 -15.543) 15.544 ======================= Grid point 271 (137/172) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -8.474 9.205 7.514) 14.595 1.334 ( 4.278 8.125 -2.926) 9.637 1.748 ( 4.272 1.848 11.307) 12.228 1.936 ( -0.047 2.120 -6.374) 6.718 2.277 ( 2.255 -1.604 6.458) 7.026 2.453 ( 1.101 6.198 -8.284) 10.404 2.718 ( -3.619 -3.749 6.880) 8.630 2.772 ( -3.684 -1.464 4.020) 5.646 2.838 ( 0.300 -10.976 2.673) 11.301 2.932 ( 2.216 1.159 1.637) 2.990 3.232 ( -3.037 5.204 3.485) 6.961 3.285 ( 2.609 1.115 -4.904) 5.665 3.518 ( 3.742 -1.491 4.462) 6.012 3.581 ( -2.343 -1.273 -1.322) 2.976 3.672 ( 4.023 1.337 1.674) 4.558 3.758 ( -4.249 0.342 -3.875) 5.760 4.118 ( -4.088 -2.030 1.688) 4.866 4.206 ( 4.145 -3.913 -4.663) 7.365 4.292 ( -4.940 1.337 3.874) 6.418 4.371 ( 7.393 0.977 -3.178) 8.107 4.504 ( -1.506 0.220 3.728) 4.027 4.568 ( -0.433 -4.864 -0.929) 4.971 4.830 ( -4.863 -3.172 2.730) 6.415 4.924 ( 3.393 -3.207 -6.314) 7.853 4.979 ( -5.992 2.431 6.941) 9.487 5.084 ( 5.705 1.662 -2.286) 6.367 5.342 ( 0.290 0.001 -2.211) 2.230 5.445 ( 0.982 0.807 -8.695) 8.787 5.820 ( -1.832 6.244 1.984) 6.803 5.875 ( 3.181 4.418 -2.581) 6.025 5.992 ( -0.034 0.361 9.593) 9.600 6.166 ( 2.607 0.249 -2.776) 3.817 6.410 ( 2.126 3.710 0.862) 4.362 6.488 ( -1.262 -0.130 -5.994) 6.127 6.678 ( -1.912 -2.428 14.517) 14.842 6.986 ( 0.221 -3.872 -12.434) 13.025 7.342 ( -1.162 0.843 -2.601) 2.971 7.347 ( -2.445 0.966 -3.734) 4.567 8.000 ( 0.581 -7.765 0.909) 7.840 8.039 ( 0.185 -8.330 -2.951) 8.839 8.780 ( 1.399 -0.348 1.892) 2.378 8.828 ( -0.545 -0.947 -2.380) 2.619 9.868 ( -0.444 0.787 6.684) 6.745 10.003 ( -0.372 -0.985 -5.513) 5.612 10.299 ( 1.657 -1.484 3.513) 4.159 10.372 ( -0.283 -2.316 -2.313) 3.285 10.554 ( 2.559 4.283 2.798) 5.721 10.644 ( -4.185 5.273 -4.919) 8.338 11.220 ( 1.679 -3.889 2.905) 5.136 11.274 ( -1.165 -3.567 -1.700) 4.120 11.403 ( 0.444 2.094 3.028) 3.708 11.445 ( -1.158 1.316 -0.680) 1.880 12.521 ( 2.912 0.285 1.035) 3.104 12.554 ( -2.972 0.119 -2.011) 3.591 13.036 ( -0.716 5.741 6.350) 8.590 13.155 ( 0.938 5.538 -4.893) 7.449 16.758 ( 0.827 0.342 3.108) 3.234 16.810 ( -0.221 -0.540 -1.482) 1.592 16.892 ( 1.322 0.256 0.695) 1.516 16.917 ( -1.896 -0.148 -1.302) 2.305 22.978 ( 4.760 2.188 3.174) 6.125 23.041 ( -3.830 1.979 -2.707) 5.091 23.207 ( -2.127 -1.886 1.525) 3.226 23.245 ( -0.875 -1.093 -1.961) 2.410 23.682 ( -1.573 5.268 3.145) 6.334 23.733 ( 2.966 7.288 -1.723) 8.055 25.050 ( -0.341 -24.697 6.119) 25.446 25.117 ( 1.803 -18.014 -0.577) 18.114 25.537 ( 2.726 2.969 8.686) 9.576 25.727 ( -4.584 0.354 -8.548) 9.706 26.691 ( -2.190 16.069 4.822) 16.920 26.884 ( 3.683 7.945 -12.267) 15.072 ======================= Grid point 272 (138/172) ======================= q-point: ( 0.08 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 12.845 9.224 6.074) 16.940 1.487 ( 16.773 5.040 -1.475) 17.576 1.856 ( 4.116 6.108 -8.968) 11.605 1.957 ( 9.320 -1.001 2.420) 9.681 2.341 ( 0.018 -2.130 -8.829) 9.083 2.415 ( 4.440 7.588 4.717) 9.978 2.724 ( -2.357 -6.601 3.233) 7.719 2.771 ( -1.900 -3.608 3.854) 5.610 2.952 ( 5.419 -6.587 5.167) 9.972 2.999 ( 10.864 -2.732 -6.364) 12.884 3.192 ( -4.488 3.869 1.122) 6.031 3.256 ( -2.180 2.849 -0.727) 3.660 3.512 ( -1.793 0.365 -4.137) 4.523 3.614 ( -3.036 0.701 -6.678) 7.369 3.665 ( 7.387 -2.779 2.927) 8.418 3.797 ( 4.100 1.396 4.787) 6.455 4.061 ( -6.525 -2.821 3.499) 7.923 4.218 ( -1.592 -2.284 -3.168) 4.218 4.276 ( 2.732 -2.686 1.148) 4.000 4.421 ( 5.280 3.592 -2.421) 6.830 4.451 ( -5.337 -2.108 -0.992) 5.823 4.630 ( 5.856 -0.207 1.380) 6.020 4.793 ( -3.297 -1.814 3.027) 4.830 4.956 ( -1.531 1.513 3.131) 3.799 4.995 ( 6.730 -0.669 1.599) 6.950 5.181 ( 9.444 1.595 -7.672) 12.272 5.318 ( -3.238 7.447 4.427) 9.248 5.415 ( 3.666 -2.404 -2.237) 4.922 5.784 ( -1.764 3.527 0.787) 4.021 5.898 ( 0.908 3.460 -2.760) 4.518 6.063 ( -1.944 0.394 0.279) 2.003 6.120 ( 1.616 1.950 -4.448) 5.118 6.378 ( -4.090 0.004 -3.411) 5.326 6.465 ( 0.476 -0.829 2.115) 2.321 6.774 ( -5.074 -4.841 -2.844) 7.568 6.846 ( -1.280 -2.670 6.022) 6.711 7.316 ( -0.389 0.847 1.486) 1.754 7.377 ( 3.866 0.699 3.744) 5.427 8.006 ( -0.161 -7.943 -1.091) 8.020 8.029 ( 0.713 -8.008 0.305) 8.046 8.780 ( -0.390 -0.127 -2.160) 2.198 8.835 ( 1.780 0.573 0.879) 2.066 9.902 ( -3.351 -0.503 -3.984) 5.230 9.937 ( -1.493 0.148 5.199) 5.411 10.324 ( -0.134 -1.736 -3.744) 4.129 10.387 ( 4.151 -1.694 1.642) 4.775 10.533 ( -2.265 5.203 -2.582) 6.235 10.676 ( 5.127 3.972 4.785) 8.059 11.197 ( -4.553 -3.772 -2.784) 6.535 11.263 ( -1.142 -2.285 1.549) 2.988 11.377 ( -4.000 0.492 0.747) 4.099 11.433 ( -1.637 1.748 0.445) 2.436 12.502 ( -0.920 0.355 -1.149) 1.514 12.594 ( 4.179 -0.496 1.443) 4.449 13.073 ( -2.856 5.480 2.292) 6.591 13.094 ( -0.998 5.109 -2.863) 5.941 16.765 ( -1.738 0.081 -2.728) 3.236 16.791 ( -0.694 -0.385 1.567) 1.757 16.868 ( -2.435 0.542 -0.494) 2.543 16.924 ( 0.562 -0.376 1.462) 1.611 22.947 ( -2.879 2.916 -3.162) 5.176 23.071 ( 1.612 0.869 1.551) 2.400 23.220 ( -0.675 -1.468 3.967) 4.284 23.253 ( 3.869 -1.701 0.590) 4.268 23.634 ( -5.052 6.187 -0.331) 7.995 23.786 ( 4.997 7.467 -1.800) 9.163 25.052 ( -2.246 -14.819 -0.026) 14.988 25.123 ( -0.769 -25.972 -2.638) 26.117 25.470 ( -6.386 5.593 -1.595) 8.638 25.845 ( 13.090 0.186 4.245) 13.762 26.636 ( -9.044 9.029 1.603) 12.880 26.874 ( 6.008 10.471 -2.859) 12.406 ======================= Grid point 273 (139/172) ======================= q-point: ( 0.17 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 14.192 10.097 -6.545) 18.606 1.745 ( 17.916 3.961 -3.467) 18.673 1.930 ( 18.019 6.303 -1.968) 19.191 2.071 ( 4.997 3.688 -4.502) 7.671 2.279 ( 3.897 -4.163 -3.816) 6.862 2.503 ( 3.453 6.203 1.843) 7.335 2.760 ( 0.311 -3.296 2.258) 4.008 2.795 ( -1.312 -2.301 3.914) 4.726 3.038 ( 7.723 -10.369 -4.306) 13.628 3.102 ( -0.947 -1.008 4.209) 4.430 3.168 ( 1.046 -0.282 -1.933) 2.216 3.234 ( 9.791 4.210 -8.079) 13.373 3.424 ( -1.419 0.804 -5.514) 5.751 3.492 ( 0.127 1.683 -6.650) 6.861 3.815 ( 4.895 -4.155 2.389) 6.850 3.915 ( 1.327 -0.452 6.210) 6.366 4.015 ( -6.549 -2.929 6.462) 9.655 4.152 ( -2.802 0.585 0.724) 2.952 4.322 ( 0.378 -3.504 -0.151) 3.527 4.401 ( 6.450 -1.461 -0.323) 6.622 4.532 ( 10.675 0.251 -1.736) 10.818 4.716 ( 4.055 3.186 -1.274) 5.312 4.769 ( -3.524 -1.578 1.021) 3.994 5.032 ( 1.554 5.191 3.738) 6.583 5.094 ( 2.550 3.485 1.979) 4.750 5.200 ( 7.771 2.179 -1.498) 8.209 5.385 ( 0.189 5.566 4.774) 7.335 5.489 ( 7.412 -4.965 0.866) 8.963 5.781 ( -4.913 2.778 -7.510) 9.394 5.807 ( 2.902 -3.079 0.304) 4.242 6.049 ( 1.614 -0.202 -0.170) 1.635 6.103 ( 0.053 -2.298 -3.418) 4.119 6.282 ( -6.130 2.549 1.223) 6.751 6.426 ( -5.592 -0.296 -1.596) 5.823 6.594 ( -3.137 -1.418 -11.027) 11.552 6.995 ( 0.630 -4.416 13.431) 14.153 7.323 ( -2.111 1.344 2.170) 3.312 7.524 ( 3.682 0.724 8.875) 9.636 7.975 ( -2.764 -8.933 -1.687) 9.501 8.038 ( -0.739 -7.409 1.260) 7.551 8.769 ( 2.206 1.778 -1.146) 3.056 8.866 ( 0.739 2.399 0.957) 2.686 9.771 ( -5.251 0.528 -5.261) 7.452 9.985 ( -2.862 -1.197 7.242) 7.879 10.289 ( 0.043 1.081 -2.068) 2.334 10.383 ( 0.562 3.542 -6.805) 7.692 10.563 ( 4.512 -1.003 1.719) 4.932 10.806 ( 3.812 0.032 4.063) 5.571 11.074 ( -6.225 -1.179 -1.745) 6.572 11.224 ( -4.293 -0.901 -0.816) 4.462 11.345 ( -2.856 -0.710 2.149) 3.644 11.396 ( -1.905 1.083 -0.787) 2.328 12.503 ( 1.678 -0.037 0.300) 1.705 12.673 ( 3.679 -1.111 1.134) 4.007 12.987 ( -2.636 3.306 -5.332) 6.805 13.075 ( -4.291 5.018 2.662) 7.119 16.703 ( -1.967 -0.117 -2.542) 3.216 16.760 ( -3.080 -1.804 -1.037) 3.717 16.845 ( -1.630 1.905 1.189) 2.775 16.938 ( -0.741 -0.295 1.096) 1.356 22.888 ( -1.027 3.762 -1.587) 4.210 23.071 ( -2.220 0.352 1.285) 2.589 23.275 ( -0.216 -1.519 6.362) 6.544 23.334 ( 2.732 -2.656 0.355) 3.827 23.556 ( -2.315 5.366 -0.781) 5.896 23.839 ( 5.735 9.902 -3.248) 11.895 24.976 ( -4.597 -22.659 -5.961) 23.876 25.067 ( 0.735 -9.105 -1.008) 9.190 25.422 ( 1.105 1.297 -1.673) 2.388 26.073 ( 7.613 6.002 4.799) 10.817 26.498 ( -6.356 1.466 -2.816) 7.104 26.965 ( 2.836 7.776 5.590) 9.988 ======================= Grid point 274 (140/172) ======================= q-point: ( 0.25 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 14.211 8.647 -12.977) 21.098 1.867 ( 12.736 8.578 -15.977) 22.160 2.130 ( 7.395 6.093 3.380) 10.160 2.212 ( 11.863 3.409 1.810) 12.475 2.329 ( 4.955 1.472 -1.265) 5.322 2.640 ( 9.324 1.051 2.501) 9.711 2.726 ( 1.012 -2.909 -7.629) 8.228 2.817 ( -1.992 -0.213 5.288) 5.655 3.049 ( -6.523 0.168 -0.231) 6.529 3.129 ( -0.032 -5.478 1.532) 5.688 3.178 ( 4.022 -2.130 5.099) 6.835 3.356 ( 22.857 2.950 -17.346) 28.845 3.393 ( 3.754 -2.514 -0.669) 4.567 3.480 ( 3.419 -0.932 -1.887) 4.015 3.835 ( -2.720 -3.672 0.617) 4.611 3.911 ( -7.095 -3.615 2.740) 8.421 4.027 ( -3.218 -0.063 7.002) 7.707 4.183 ( 2.673 3.861 3.761) 6.017 4.393 ( 5.209 -3.558 2.364) 6.737 4.582 ( 8.735 -0.940 2.951) 9.268 4.682 ( 5.153 -1.879 -1.820) 5.779 4.700 ( 2.151 0.875 -0.964) 2.514 4.750 ( 4.675 4.515 1.361) 6.640 5.015 ( 4.501 -0.801 -8.159) 9.353 5.256 ( 2.700 5.829 11.601) 13.261 5.311 ( -1.051 -0.004 0.804) 1.323 5.385 ( 3.784 0.860 -0.800) 3.962 5.625 ( 4.733 -0.749 0.083) 4.793 5.701 ( 3.498 -0.901 1.816) 4.043 5.861 ( 4.380 -6.251 -0.853) 7.680 6.043 ( -1.563 -1.939 -4.252) 4.928 6.084 ( 2.099 -0.336 0.398) 2.162 6.216 ( -6.201 3.662 3.080) 7.833 6.293 ( -5.958 3.365 -3.921) 7.887 6.438 ( -1.192 0.560 -8.732) 8.830 7.124 ( -0.964 -5.418 7.313) 9.152 7.298 ( -3.748 1.300 1.402) 4.207 7.659 ( 0.031 -0.322 6.337) 6.345 7.854 ( -8.676 -7.798 -1.823) 11.807 8.046 ( -0.771 -6.961 2.060) 7.300 8.819 ( 2.916 2.985 0.881) 4.265 8.890 ( 0.839 5.010 2.182) 5.529 9.632 ( -4.703 1.062 -4.108) 6.334 10.009 ( -4.793 -2.774 6.407) 8.469 10.260 ( -2.925 4.706 -0.078) 5.541 10.322 ( 4.123 2.392 -7.627) 8.993 10.621 ( 2.679 -1.217 -2.449) 3.829 10.879 ( 1.360 -4.693 2.628) 5.548 11.001 ( -2.985 -0.200 0.614) 3.054 11.107 ( -6.224 -0.779 -4.262) 7.584 11.346 ( -1.152 0.645 4.212) 4.414 11.368 ( -0.681 1.046 -1.431) 1.899 12.553 ( 3.273 -0.659 1.155) 3.533 12.725 ( 1.825 -1.186 -0.191) 2.185 12.888 ( -2.167 1.910 -4.339) 5.213 13.015 ( -5.731 3.044 0.536) 6.511 16.652 ( -1.166 -0.418 -1.575) 2.003 16.696 ( -3.191 -1.821 -0.898) 3.782 16.825 ( -2.157 2.001 0.194) 2.948 16.926 ( -1.895 -0.200 0.332) 1.935 22.878 ( 0.082 4.319 1.107) 4.459 23.070 ( -0.868 0.255 3.660) 3.771 23.315 ( -5.051 1.490 2.103) 5.671 23.358 ( 0.047 -1.726 7.271) 7.473 23.575 ( 3.856 0.058 0.535) 3.893 23.881 ( 5.951 11.103 -5.343) 13.684 24.821 ( -4.268 -19.074 -7.286) 20.860 25.109 ( 4.778 -6.980 -1.244) 8.550 25.427 ( 1.808 0.262 -1.531) 2.383 26.133 ( -6.810 21.878 2.886) 23.094 26.440 ( 6.432 -13.120 -4.670) 15.340 27.068 ( -0.988 2.705 8.064) 8.563 ======================= Grid point 275 (141/172) ======================= q-point: ( 0.33 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 13.225 2.767 -13.865) 19.360 1.942 ( 18.240 10.504 -10.727) 23.625 2.244 ( 1.816 2.282 -0.646) 2.987 2.360 ( 1.520 3.684 -0.595) 4.030 2.396 ( 7.611 7.782 7.031) 12.958 2.656 ( 2.765 -1.784 -7.289) 7.997 2.713 ( 1.606 1.540 -4.733) 5.230 2.880 ( -5.833 0.297 6.038) 8.400 3.002 ( 2.571 -1.988 4.291) 5.383 3.116 ( 0.201 -4.383 -0.403) 4.406 3.348 ( 5.322 -2.954 6.441) 8.861 3.411 ( -0.216 -3.984 -2.729) 4.834 3.512 ( 10.122 -0.556 -2.643) 10.476 3.561 ( 11.696 2.053 -8.343) 14.512 3.836 ( 3.481 -4.872 -1.633) 6.207 3.841 ( -4.192 -4.171 7.467) 9.524 4.063 ( -1.203 1.046 5.104) 5.347 4.279 ( 2.925 4.607 3.950) 6.737 4.453 ( 0.448 4.023 -0.564) 4.087 4.601 ( -3.565 -1.748 -2.662) 4.780 4.638 ( 1.243 0.766 0.848) 1.688 4.820 ( 3.070 -1.145 2.123) 3.904 4.951 ( 5.772 -0.827 -3.529) 6.816 5.056 ( 14.079 -1.058 -0.140) 14.119 5.202 ( 0.111 -2.410 -2.160) 3.238 5.449 ( 1.808 4.254 9.433) 10.505 5.479 ( 5.537 2.890 -0.446) 6.262 5.665 ( -0.113 -2.080 3.861) 4.387 5.839 ( 5.953 -2.671 2.369) 6.941 5.895 ( 1.683 -1.474 -4.080) 4.653 5.985 ( -1.824 -2.075 2.720) 3.877 6.107 ( 2.635 0.165 -3.617) 4.478 6.128 ( -3.940 3.573 -3.617) 6.432 6.216 ( -1.787 4.325 2.189) 5.166 6.366 ( 1.100 -1.377 -3.396) 3.826 7.127 ( -4.632 -5.958 0.367) 7.556 7.245 ( -3.831 0.571 -0.082) 3.874 7.528 ( -10.265 -4.133 -9.788) 14.773 7.834 ( -1.852 -1.844 9.402) 9.759 8.056 ( -1.683 -5.826 2.629) 6.610 8.844 ( 1.217 4.356 -0.900) 4.611 8.946 ( -0.591 7.087 4.355) 8.339 9.560 ( 0.280 -1.034 -0.989) 1.458 9.986 ( -6.080 -4.374 4.262) 8.617 10.217 ( -2.008 4.550 0.334) 4.985 10.321 ( 3.951 3.671 -4.300) 6.897 10.604 ( 0.399 -1.199 -3.115) 3.362 10.875 ( -6.934 -3.348 -6.659) 10.180 10.929 ( -0.215 -2.026 1.522) 2.543 11.049 ( 2.394 -1.108 0.043) 2.638 11.323 ( -1.701 1.367 -2.402) 3.245 11.396 ( -0.421 0.358 4.732) 4.764 12.619 ( 3.317 -0.294 0.840) 3.435 12.713 ( -0.885 -1.117 -2.555) 2.926 12.832 ( -0.073 1.334 -2.636) 2.955 12.921 ( -5.954 0.415 -0.322) 5.978 16.634 ( 0.329 -0.638 -0.219) 0.751 16.647 ( -2.239 -1.410 -0.161) 2.651 16.783 ( -2.417 1.883 -1.062) 3.243 16.888 ( -2.754 -0.213 -0.606) 2.828 22.914 ( 1.065 4.384 3.527) 5.726 23.128 ( -1.153 1.108 6.545) 6.737 23.286 ( -1.983 0.900 4.120) 4.659 23.439 ( 0.400 -0.589 6.025) 6.067 23.659 ( 2.444 -0.872 4.501) 5.195 23.897 ( 4.753 8.891 -5.202) 11.344 24.681 ( -1.572 -15.383 -8.316) 17.557 25.120 ( 0.411 -9.621 -6.350) 11.535 25.465 ( 3.589 5.352 2.020) 6.753 26.009 ( -8.389 20.594 -0.595) 22.245 26.541 ( 10.703 -11.914 -2.779) 16.255 27.100 ( -5.799 -1.309 5.616) 8.178 ======================= Grid point 276 (142/172) ======================= q-point: ( 0.42 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 13.549 -2.619 -5.769) 14.957 2.073 ( 10.982 -0.452 -9.637) 14.618 2.231 ( -0.514 0.963 1.199) 1.621 2.379 ( 0.329 5.810 2.113) 6.191 2.586 ( 2.249 8.682 -1.407) 9.078 2.650 ( 8.782 0.239 1.131) 8.857 2.679 ( -0.648 1.866 -5.038) 5.412 2.780 ( -6.990 -2.855 4.441) 8.760 3.096 ( 3.429 -4.838 -4.722) 7.581 3.177 ( 1.382 -1.767 10.093) 10.339 3.307 ( -7.294 1.832 -2.900) 8.060 3.454 ( -2.385 -3.760 4.432) 6.282 3.555 ( 5.514 -5.650 -7.913) 11.178 3.597 ( 3.076 1.791 -3.032) 4.676 3.858 ( 5.118 -2.677 2.360) 6.239 4.032 ( 5.903 1.256 6.794) 9.088 4.126 ( 1.969 0.381 5.144) 5.521 4.347 ( 5.938 3.902 -4.683) 8.510 4.416 ( -7.267 3.248 5.209) 9.513 4.552 ( 2.102 2.302 -4.587) 5.546 4.654 ( -0.808 2.907 0.541) 3.065 4.786 ( -4.308 3.109 -1.152) 5.436 5.001 ( 4.410 -5.509 -2.801) 7.593 5.104 ( 1.904 -2.435 -1.403) 3.395 5.427 ( 11.874 -0.663 7.155) 13.879 5.510 ( 3.749 4.743 -1.196) 6.163 5.580 ( 2.308 0.977 4.635) 5.269 5.663 ( -4.477 0.636 2.089) 4.981 5.868 ( 1.162 0.763 -3.126) 3.421 5.924 ( 3.617 -0.523 1.835) 4.090 6.003 ( -2.469 0.668 1.630) 3.033 6.051 ( -1.793 -1.403 0.453) 2.321 6.111 ( 1.757 -0.563 -2.877) 3.418 6.233 ( 1.225 0.543 -1.010) 1.678 6.392 ( 4.354 -3.316 1.810) 5.764 6.984 ( -9.481 -6.655 -6.013) 13.051 7.185 ( -2.639 -0.093 -1.160) 2.885 7.275 ( -6.107 -1.044 -7.718) 9.897 7.923 ( 0.206 -1.864 7.126) 7.369 8.054 ( -2.234 -4.521 2.154) 5.484 8.860 ( 3.023 5.557 -1.314) 6.461 8.943 ( -4.478 8.461 2.296) 9.845 9.622 ( 5.457 -4.667 2.948) 7.762 9.930 ( -6.167 -6.108 2.033) 8.915 10.209 ( -0.054 3.714 1.310) 3.939 10.330 ( 1.205 4.591 -1.340) 4.932 10.574 ( -0.050 -0.281 -2.475) 2.492 10.684 ( -4.640 -0.922 -7.786) 9.110 10.942 ( 1.209 -1.610 -0.249) 2.028 11.065 ( -1.648 0.244 -1.793) 2.448 11.310 ( 3.312 -1.159 0.351) 3.527 11.424 ( -2.704 -0.918 3.519) 4.532 12.646 ( -1.277 0.826 -0.348) 1.560 12.689 ( 2.190 -1.639 -1.734) 3.238 12.797 ( 1.000 1.369 -3.961) 4.308 12.842 ( -4.723 -1.159 1.164) 5.001 16.626 ( -0.711 -0.614 0.723) 1.185 16.658 ( 1.966 -0.725 1.038) 2.338 16.730 ( -1.971 1.498 -1.949) 3.151 16.828 ( -3.242 -0.302 -1.477) 3.575 22.993 ( 2.570 4.208 4.788) 6.873 23.143 ( -5.669 3.325 5.875) 8.815 23.350 ( 3.596 -2.712 1.535) 4.759 23.519 ( -0.175 2.157 5.116) 5.555 23.746 ( 3.421 0.627 4.587) 5.756 23.926 ( 0.252 3.604 3.098) 4.759 24.587 ( 2.651 -13.238 -8.032) 15.709 24.965 ( -5.747 -7.913 -11.211) 14.877 25.575 ( 4.543 8.541 4.543) 10.688 25.889 ( -4.511 15.456 -2.693) 16.324 26.690 ( 10.525 -9.621 -0.295) 14.263 27.024 ( -8.771 -3.103 1.369) 9.404 ======================= Grid point 277 (143/172) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -1.815 -6.499 3.700) 7.695 2.062 ( 1.146 -7.586 -8.481) 11.436 2.286 ( -3.807 3.341 4.821) 6.992 2.353 ( -0.091 -2.400 0.384) 2.433 2.525 ( -1.450 2.142 -4.290) 5.009 2.541 ( -1.562 -0.260 -4.742) 4.999 2.853 ( 5.173 -1.009 3.924) 6.571 2.892 ( 9.800 4.154 6.112) 12.274 3.049 ( 0.957 -0.607 -6.753) 6.847 3.110 ( -6.525 4.391 -7.365) 10.775 3.328 ( 0.511 -2.179 9.700) 9.955 3.424 ( -4.832 -2.828 2.650) 6.194 3.565 ( -0.226 -2.721 -1.368) 3.054 3.575 ( 4.663 -2.658 -6.774) 8.643 4.017 ( 8.718 2.096 2.905) 9.425 4.052 ( -5.755 4.494 -0.687) 7.333 4.254 ( 3.887 1.007 7.908) 8.869 4.314 ( -14.447 6.568 5.318) 16.737 4.372 ( -0.167 -1.596 -3.554) 3.899 4.535 ( 8.763 8.113 -8.968) 14.934 4.669 ( -0.018 3.012 2.812) 4.121 4.719 ( -3.482 2.879 -0.419) 4.538 5.014 ( -1.383 -3.083 2.338) 4.109 5.094 ( -0.726 -5.372 -3.086) 6.238 5.529 ( -4.849 1.701 3.159) 6.032 5.595 ( 8.374 1.158 -2.469) 8.807 5.643 ( -3.797 3.333 4.751) 6.935 5.692 ( 4.323 0.051 2.389) 4.939 5.873 ( 4.047 -1.260 -0.793) 4.312 5.929 ( -2.322 0.544 -2.767) 3.652 6.012 ( 2.355 -0.744 -0.380) 2.499 6.046 ( -1.758 0.017 0.871) 1.962 6.086 ( -3.063 0.050 2.667) 4.061 6.212 ( 2.993 -2.427 -6.055) 7.177 6.551 ( 8.224 -4.425 7.480) 11.966 6.728 ( -10.668 -5.568 -8.534) 14.753 7.148 ( -0.301 -0.382 -0.611) 0.781 7.169 ( -0.510 -0.341 -2.799) 2.865 8.005 ( 1.588 -2.623 4.047) 5.078 8.039 ( -1.890 -3.496 0.712) 4.038 8.887 ( -4.052 8.078 0.951) 9.087 8.912 ( 5.375 6.604 -1.609) 8.665 9.768 ( 6.870 -6.769 4.226) 10.530 9.830 ( -7.370 -6.938 -1.085) 10.180 10.255 ( 2.802 3.201 2.932) 5.167 10.310 ( -1.513 3.193 -2.096) 4.108 10.534 ( -1.405 0.895 -1.179) 2.041 10.584 ( 0.688 1.731 -4.739) 5.092 10.972 ( 2.719 -0.402 -0.047) 2.749 10.983 ( -3.885 1.055 -1.518) 4.303 11.388 ( -3.697 -2.426 2.142) 4.914 11.404 ( 3.678 -2.514 0.647) 4.502 12.629 ( -0.841 0.207 1.298) 1.561 12.675 ( -0.056 -0.270 -2.775) 2.789 12.785 ( -4.098 -0.211 0.709) 4.164 12.812 ( 4.654 -0.355 -1.880) 5.032 16.642 ( 0.893 0.369 1.484) 1.771 16.682 ( -0.772 0.749 -2.223) 2.469 16.716 ( 3.066 -0.652 1.794) 3.612 16.757 ( -3.127 -0.393 -1.979) 3.721 23.097 ( 2.224 3.412 3.924) 5.655 23.119 ( -2.476 3.561 2.902) 5.219 23.408 ( 0.529 0.291 2.976) 3.037 23.498 ( -2.570 2.270 -3.253) 4.727 23.928 ( -2.677 0.775 3.653) 4.594 23.929 ( 5.964 -1.221 6.890) 9.195 24.575 ( -1.525 -11.966 -0.024) 12.062 24.736 ( -0.273 -6.742 -13.063) 14.703 25.688 ( 1.126 10.524 5.394) 11.879 25.801 ( -0.109 12.131 -5.054) 13.143 26.810 ( -6.721 -7.435 5.488) 11.427 26.925 ( 6.973 -4.533 -5.297) 9.861 ======================= Grid point 278 (144/172) ======================= q-point: (-0.42 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -18.147 -6.748 -3.848) 19.740 1.885 ( -13.070 -2.295 6.626) 14.832 2.207 ( -4.761 -2.041 3.574) 6.293 2.437 ( -2.265 5.995 -3.025) 7.087 2.479 ( -2.430 -2.018 2.737) 4.180 2.554 ( 4.867 -2.327 5.043) 7.385 2.796 ( -7.103 7.077 -7.794) 12.699 2.954 ( 5.071 2.436 -11.319) 12.640 3.049 ( 3.852 -5.294 -0.098) 6.548 3.164 ( 7.751 -1.984 8.557) 11.715 3.358 ( -2.616 -0.207 -0.953) 2.792 3.443 ( 0.935 -2.829 2.119) 3.656 3.515 ( -1.100 1.336 -0.906) 1.953 3.584 ( 1.453 -2.964 -3.025) 4.477 3.899 ( -8.992 2.491 -2.933) 9.780 4.122 ( -8.465 5.207 -0.162) 9.939 4.188 ( 0.293 -5.183 2.797) 5.896 4.233 ( -7.493 5.947 1.202) 9.642 4.411 ( 1.714 4.220 5.138) 6.866 4.592 ( 6.683 4.721 -7.724) 11.252 4.639 ( -1.584 2.309 3.527) 4.503 4.720 ( -1.206 4.413 2.302) 5.121 4.986 ( -5.930 -4.867 1.789) 7.878 5.061 ( -0.948 -2.305 1.006) 2.688 5.458 ( -6.428 0.752 0.403) 6.484 5.587 ( -7.305 -0.187 -2.805) 7.827 5.637 ( 0.849 2.376 -1.308) 2.842 5.739 ( 2.373 0.777 -1.669) 3.003 5.845 ( -0.376 1.463 -5.015) 5.238 5.955 ( 1.333 -1.187 1.419) 2.281 5.987 ( -0.899 1.435 -2.433) 2.964 6.043 ( 0.647 -3.159 2.534) 4.101 6.094 ( -1.765 -0.493 2.780) 3.329 6.234 ( 6.451 -0.342 -3.833) 7.511 6.483 ( -8.747 -4.165 -6.217) 11.512 6.805 ( 10.349 -5.226 10.063) 15.352 7.171 ( 2.787 -0.443 1.857) 3.378 7.175 ( 3.200 -0.310 -0.167) 3.219 8.014 ( -0.835 -2.974 -1.349) 3.371 8.065 ( 2.007 -3.758 1.314) 4.459 8.845 ( -1.821 6.964 0.298) 7.205 8.990 ( 6.842 7.507 -2.253) 10.404 9.680 ( -8.459 -5.747 -2.132) 10.446 9.921 ( 6.631 -6.976 2.710) 9.999 10.245 ( -1.867 1.860 -3.012) 4.002 10.344 ( 3.839 4.515 0.099) 5.927 10.541 ( 0.603 0.276 4.377) 4.427 10.557 ( 1.114 1.912 -1.495) 2.671 10.930 ( -1.586 -0.557 0.599) 1.784 11.036 ( 3.731 0.165 0.867) 3.834 11.307 ( -6.539 -2.081 0.825) 6.912 11.472 ( 3.144 -2.252 -0.921) 3.975 12.647 ( -0.040 0.138 1.598) 1.604 12.655 ( 0.377 0.133 -0.488) 0.631 12.734 ( -3.135 0.741 1.437) 3.528 12.873 ( 5.451 -1.385 -1.713) 5.879 16.651 ( 0.200 -0.233 -1.448) 1.480 16.688 ( -1.894 -0.142 -1.053) 2.171 16.693 ( 2.129 0.933 0.685) 2.423 16.792 ( 3.588 -0.496 1.860) 4.072 23.070 ( -2.519 3.412 -1.254) 4.423 23.210 ( 5.713 2.842 0.829) 6.435 23.373 ( -5.704 0.217 -1.576) 5.922 23.481 ( -0.143 5.162 4.384) 6.774 23.816 ( -8.198 0.194 -1.843) 8.405 24.128 ( 11.207 -3.902 -6.944) 13.749 24.418 ( -12.708 -6.533 5.244) 15.221 24.793 ( 9.159 -13.778 1.812) 16.643 25.655 ( -5.851 8.473 -1.773) 10.449 25.845 ( 7.344 15.976 0.337) 17.586 26.656 ( -13.794 -5.087 2.469) 14.908 27.077 ( 13.536 -6.058 -3.017) 15.134 ======================= Grid point 279 (145/172) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -19.806 0.452 5.878) 20.665 1.729 ( -19.771 4.778 9.178) 22.315 2.185 ( -5.661 -0.756 4.877) 7.510 2.356 ( -4.155 5.627 -0.815) 7.042 2.455 ( -7.971 -0.955 6.711) 10.464 2.553 ( -7.256 7.423 -5.958) 11.969 2.665 ( -0.283 4.613 1.292) 4.799 2.965 ( 6.971 -2.018 -3.364) 7.999 3.055 ( -3.129 -10.005 -1.766) 10.631 3.241 ( 0.728 -2.739 -7.986) 8.474 3.374 ( -7.358 1.966 -1.205) 7.711 3.402 ( 5.143 0.243 4.564) 6.880 3.507 ( -2.679 -2.422 -5.196) 6.328 3.514 ( -5.907 2.586 -1.785) 6.691 3.767 ( -5.351 -2.412 3.798) 6.991 3.981 ( -3.488 -0.060 -3.166) 4.711 4.115 ( -1.666 -1.668 0.814) 2.494 4.295 ( 0.002 1.678 1.071) 1.991 4.421 ( -2.878 2.442 2.948) 4.789 4.600 ( 4.648 2.081 -1.696) 5.367 4.646 ( -3.289 1.273 -1.255) 3.744 4.760 ( -2.027 0.527 8.316) 8.576 4.883 ( -8.952 -3.377 -0.182) 9.569 5.072 ( 0.329 1.889 0.654) 2.026 5.304 ( -11.169 -3.402 -10.122) 15.452 5.400 ( -6.821 1.549 1.679) 7.193 5.616 ( -1.878 1.338 -2.299) 3.256 5.748 ( 1.828 2.165 -2.712) 3.922 5.815 ( -1.595 -4.479 1.789) 5.080 5.917 ( 0.201 3.626 -3.516) 5.054 6.002 ( -1.554 2.566 1.423) 3.320 6.043 ( -2.809 -4.341 -0.886) 5.246 6.112 ( 3.656 0.258 -0.103) 3.666 6.275 ( 3.284 1.301 -1.750) 3.943 6.336 ( -3.386 0.046 -2.574) 4.253 7.068 ( 8.757 -5.381 6.261) 12.035 7.246 ( 5.762 -0.181 -0.156) 5.767 7.313 ( 8.397 -1.852 8.739) 12.260 7.981 ( 0.596 -3.298 -3.868) 5.117 8.096 ( 1.460 -4.823 -0.795) 5.102 8.839 ( 0.749 5.669 -0.206) 5.722 9.043 ( 3.916 7.035 -4.522) 9.235 9.547 ( -5.915 -2.247 0.346) 6.337 10.032 ( 5.365 -5.843 0.268) 7.937 10.197 ( -1.836 1.568 -0.054) 2.415 10.339 ( 0.482 7.141 -4.213) 8.305 10.561 ( 0.176 -1.290 1.013) 1.650 10.703 ( 7.501 -1.494 9.025) 11.830 10.938 ( 1.335 -1.701 0.421) 2.203 11.065 ( -1.135 -2.594 -1.156) 3.058 11.258 ( -1.353 1.277 3.480) 3.946 11.474 ( 0.076 -0.953 -2.658) 2.825 12.631 ( -2.897 -0.360 -0.326) 2.938 12.669 ( 1.481 0.369 1.101) 1.882 12.754 ( 0.187 2.183 4.273) 4.802 12.938 ( 5.767 -2.060 -1.643) 6.340 16.636 ( -1.086 -0.437 -0.554) 1.295 16.658 ( 1.547 -1.291 -1.142) 2.316 16.757 ( 3.333 1.891 1.341) 4.060 16.866 ( 3.251 -0.311 1.411) 3.558 23.004 ( -1.445 4.433 -4.388) 6.402 23.257 ( -1.992 0.184 -4.717) 5.123 23.308 ( 2.459 0.699 2.265) 3.415 23.508 ( -2.196 6.064 0.388) 6.461 23.681 ( -5.918 2.292 0.797) 6.397 24.003 ( -4.705 -3.528 -13.672) 14.883 24.484 ( 3.170 -10.020 10.155) 14.614 24.950 ( 2.198 -17.765 7.755) 19.508 25.528 ( -5.840 7.370 -3.227) 9.942 25.993 ( 10.977 21.445 0.751) 24.103 26.476 ( -13.040 -5.529 2.803) 14.438 27.227 ( 11.582 -4.780 -5.597) 13.723 ======================= Grid point 280 (146/172) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -13.840 7.316 15.686) 22.161 1.533 ( -19.628 12.023 13.466) 26.667 2.129 ( -9.653 1.163 4.880) 10.879 2.262 ( -8.548 7.727 -1.301) 11.596 2.321 ( -9.215 4.635 -3.180) 10.794 2.463 ( -8.933 0.025 12.272) 15.179 2.674 ( -2.972 3.059 0.243) 4.272 2.944 ( -2.500 -4.429 -3.969) 6.452 3.020 ( -5.474 -0.680 6.076) 8.207 3.101 ( -7.814 1.666 -4.068) 8.966 3.237 ( -3.907 -5.440 -3.027) 7.350 3.321 ( -6.037 -1.941 -8.244) 10.401 3.414 ( -1.846 0.920 -1.861) 2.778 3.496 ( 3.183 0.030 -2.440) 4.011 3.800 ( 1.566 -4.045 3.144) 5.358 3.978 ( 5.798 -2.406 -2.478) 6.749 4.126 ( 3.075 0.979 -2.189) 3.900 4.250 ( -4.528 -0.242 -0.241) 4.541 4.419 ( -1.972 0.151 0.031) 1.978 4.572 ( -4.870 -0.596 1.917) 5.268 4.664 ( -2.180 -1.882 0.544) 2.931 4.728 ( -5.296 -1.183 -1.815) 5.722 4.801 ( -5.446 -2.689 9.315) 11.121 4.855 ( -15.635 0.564 -9.464) 18.285 5.230 ( 5.610 -0.062 2.454) 6.124 5.333 ( -7.240 0.228 3.136) 7.893 5.523 ( -3.068 1.961 -6.709) 7.633 5.703 ( -0.888 -1.821 -5.362) 5.732 5.779 ( -3.443 -6.929 -3.471) 8.481 5.859 ( -3.225 -0.120 -2.364) 4.000 5.977 ( -1.718 0.066 3.364) 3.778 6.053 ( 1.274 2.267 1.007) 2.789 6.201 ( 6.576 3.453 3.370) 8.157 6.290 ( -0.932 4.902 0.312) 5.000 6.317 ( 4.253 3.610 -0.774) 5.632 7.202 ( 4.794 -3.463 -0.644) 5.949 7.333 ( 6.419 0.267 -1.769) 6.664 7.590 ( 9.121 -4.764 9.855) 14.248 7.940 ( 2.001 -5.320 -5.953) 8.231 8.094 ( 0.871 -5.293 -2.263) 5.822 8.850 ( 1.188 3.549 -1.614) 4.076 8.980 ( -2.762 4.766 -6.152) 8.258 9.541 ( 1.261 2.166 4.624) 5.259 10.089 ( 1.323 -3.753 -0.123) 3.981 10.196 ( 0.591 2.034 2.381) 3.187 10.301 ( 0.840 5.675 -3.510) 6.726 10.577 ( -0.164 -2.308 1.419) 2.715 10.903 ( 2.503 -5.407 2.635) 6.515 10.981 ( 6.262 -0.617 2.353) 6.718 11.034 ( 0.735 -1.006 0.394) 1.307 11.310 ( 0.475 1.969 3.903) 4.398 11.424 ( -1.388 0.114 -3.026) 3.331 12.577 ( -3.006 -1.060 -0.966) 3.330 12.708 ( 0.824 0.662 1.220) 1.615 12.802 ( -0.016 2.438 3.759) 4.481 13.023 ( 6.668 -0.333 -0.405) 6.689 16.627 ( -0.031 -0.298 0.727) 0.787 16.688 ( 2.857 -2.012 -0.098) 3.496 16.820 ( 3.159 2.118 0.583) 3.847 16.923 ( 2.348 -0.143 0.636) 2.437 22.931 ( -1.262 5.255 -3.811) 6.613 23.160 ( -2.496 -0.321 -4.265) 4.952 23.381 ( 3.476 1.449 0.978) 3.891 23.425 ( -2.620 0.642 -4.646) 5.372 23.638 ( -4.383 4.585 -0.332) 6.352 23.800 ( -6.330 1.255 -2.147) 6.801 24.654 ( 4.634 -16.271 7.630) 18.559 25.019 ( -4.849 -18.063 7.353) 20.096 25.422 ( -3.762 5.398 -1.198) 6.688 26.197 ( 14.720 27.336 -2.583) 31.155 26.325 ( -11.239 -8.523 5.096) 14.997 27.278 ( 6.763 -1.868 -10.553) 12.673 ======================= Grid point 281 (147/172) ======================= q-point: (-0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -13.298 11.283 15.831) 23.553 1.504 ( -13.903 10.160 17.547) 24.585 1.939 ( -19.172 2.781 -1.002) 19.398 2.091 ( -3.501 6.120 -5.593) 9.000 2.194 ( -8.810 3.444 5.783) 11.087 2.502 ( -6.732 -0.583 10.003) 12.071 2.587 ( -7.202 5.051 7.935) 11.847 2.855 ( -15.156 0.709 7.370) 16.867 2.917 ( 0.803 -1.989 -2.782) 3.513 3.075 ( -7.510 -4.975 -3.512) 9.669 3.159 ( 3.953 -0.302 2.585) 4.733 3.209 ( 0.547 -1.278 -2.427) 2.797 3.408 ( 3.201 -2.982 -3.312) 5.487 3.492 ( 4.611 0.898 -5.395) 7.153 3.838 ( -1.548 -4.206 0.248) 4.489 4.022 ( -0.311 0.748 -2.643) 2.764 4.162 ( 5.115 0.445 -6.178) 8.033 4.180 ( 1.510 -0.542 -0.905) 1.841 4.327 ( -6.090 -4.228 -1.818) 7.633 4.417 ( -12.482 -4.244 -1.941) 13.326 4.512 ( -9.851 0.138 -0.545) 9.867 4.662 ( -1.565 3.179 2.243) 4.193 4.760 ( -1.463 -5.116 4.897) 7.232 4.860 ( -1.201 0.323 8.336) 8.428 5.209 ( -9.383 -2.570 -0.150) 9.730 5.316 ( -1.296 5.183 -7.731) 9.397 5.430 ( 3.116 3.425 -0.238) 4.637 5.577 ( -2.867 -8.538 -8.152) 12.148 5.717 ( 1.302 2.378 -2.206) 3.495 5.799 ( -2.429 -3.827 0.495) 4.560 5.995 ( -3.035 -0.596 4.189) 5.208 6.072 ( 1.561 -1.975 -0.127) 2.521 6.301 ( -1.037 5.579 5.522) 7.918 6.386 ( 6.196 4.881 -0.626) 7.912 6.401 ( 9.131 5.268 4.749) 11.562 7.205 ( 1.273 -2.768 -6.801) 7.452 7.390 ( 4.809 1.074 -3.889) 6.277 7.694 ( -1.758 -0.310 -4.249) 4.609 7.948 ( 3.627 -11.280 -0.106) 11.850 8.082 ( 2.033 -5.492 -2.963) 6.563 8.794 ( -3.210 1.264 -3.635) 5.012 8.899 ( -0.562 2.756 -2.196) 3.568 9.657 ( 4.139 2.588 5.868) 7.633 10.080 ( -1.698 -1.846 0.267) 2.523 10.254 ( 2.425 1.761 0.097) 2.998 10.289 ( 1.232 3.729 0.785) 4.005 10.579 ( -1.035 -2.322 -0.118) 2.545 10.880 ( -1.839 -4.328 -2.991) 5.573 11.057 ( 3.711 0.633 0.081) 3.765 11.171 ( 6.777 -0.255 4.358) 8.061 11.339 ( -1.587 0.992 2.050) 2.776 11.397 ( 1.716 -0.061 -0.456) 1.776 12.520 ( -2.353 -0.713 -1.183) 2.729 12.697 ( -2.221 0.022 -1.148) 2.500 12.866 ( 1.086 3.342 5.660) 6.662 13.119 ( 6.169 2.998 -1.205) 6.964 16.652 ( 1.003 -0.081 2.113) 2.340 16.739 ( 3.099 -2.288 0.747) 3.923 16.863 ( 2.225 2.095 -0.485) 3.095 16.952 ( 1.049 -0.067 -0.203) 1.071 22.883 ( -0.737 4.982 -1.252) 5.189 23.103 ( 0.297 0.269 -2.005) 2.044 23.343 ( -3.669 -1.880 -1.273) 4.315 23.402 ( -1.271 -0.019 -3.641) 3.857 23.551 ( 0.105 2.096 -1.197) 2.416 23.754 ( -4.034 8.787 4.167) 10.528 24.805 ( 1.738 -25.014 9.439) 26.792 25.018 ( -2.342 -12.489 4.558) 13.500 25.384 ( -1.802 2.580 1.525) 3.497 26.150 ( -9.606 -1.047 -1.140) 9.730 26.448 ( 13.802 19.245 -0.606) 23.690 27.186 ( 0.481 2.944 -13.455) 13.782 ======================= Grid point 282 (148/172) ======================= q-point: (-0.08 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -11.531 9.105 9.671) 17.589 1.392 ( -15.805 9.589 8.935) 20.533 1.659 ( -10.545 4.168 2.948) 11.716 2.012 ( -2.202 2.520 -3.249) 4.664 2.191 ( -1.106 -3.185 6.328) 7.170 2.486 ( -0.361 8.894 0.070) 8.901 2.672 ( -6.180 -0.002 16.132) 17.275 2.780 ( -6.972 0.820 7.477) 10.256 2.880 ( -2.416 -7.427 -3.588) 8.595 2.910 ( -4.055 -2.995 -0.417) 5.058 3.207 ( -0.685 3.027 3.423) 4.620 3.288 ( 6.374 -0.464 -3.600) 7.335 3.417 ( 2.187 -3.277 1.909) 4.378 3.552 ( 7.769 2.281 -2.452) 8.460 3.723 ( -8.356 -2.584 -2.981) 9.240 3.893 ( -6.826 1.107 -3.883) 7.931 4.142 ( 0.277 -1.442 -1.885) 2.389 4.240 ( 0.761 -2.409 -3.134) 4.026 4.275 ( 3.013 -6.329 1.237) 7.118 4.327 ( -5.679 3.280 4.184) 7.780 4.436 ( 4.218 0.251 -0.382) 4.242 4.621 ( -5.296 -5.000 1.249) 7.389 4.815 ( 1.151 -3.198 2.624) 4.294 4.948 ( -2.256 3.445 9.900) 10.723 5.042 ( -8.047 -3.631 -3.641) 9.549 5.141 ( -3.812 4.876 -9.291) 11.164 5.403 ( -0.756 0.073 -6.575) 6.618 5.517 ( 2.831 -2.553 -6.685) 7.695 5.782 ( 2.217 5.439 5.279) 7.897 5.800 ( 2.730 -0.852 1.306) 3.144 5.972 ( -4.246 0.483 2.046) 4.738 6.117 ( 2.691 -3.373 1.810) 4.679 6.362 ( 1.148 4.611 3.645) 5.989 6.478 ( 4.364 2.858 2.233) 5.674 6.567 ( 4.204 2.529 3.625) 6.100 7.104 ( 0.464 -3.022 -10.468) 10.905 7.385 ( 1.511 1.325 -4.943) 5.336 7.526 ( -6.788 1.187 -9.280) 11.559 7.982 ( 0.492 -9.714 0.788) 9.758 8.073 ( 0.923 -7.208 -3.416) 8.029 8.747 ( 0.079 0.126 0.338) 0.370 8.866 ( -0.923 -0.123 -1.812) 2.038 9.780 ( 2.271 1.445 5.966) 6.545 10.053 ( -0.306 -1.410 -2.398) 2.798 10.262 ( 0.350 0.263 0.409) 0.599 10.353 ( 1.509 2.257 3.345) 4.308 10.544 ( -0.780 -0.699 -2.262) 2.492 10.778 ( -4.840 1.411 -4.757) 6.932 11.139 ( 4.329 -2.341 2.225) 5.401 11.283 ( 3.086 -0.589 0.066) 3.142 11.340 ( -0.022 0.515 3.214) 3.255 11.441 ( 2.092 0.339 0.539) 2.187 12.491 ( 0.030 0.328 -0.107) 0.346 12.630 ( -3.482 -0.183 -1.967) 4.003 12.957 ( 0.752 4.729 6.591) 8.147 13.170 ( 3.707 5.206 -3.381) 7.230 16.703 ( 1.326 0.193 3.041) 3.323 16.794 ( 2.303 -2.085 0.889) 3.231 16.879 ( 1.180 1.798 -1.113) 2.422 16.949 ( -0.482 -0.110 -0.921) 1.046 22.892 ( 1.760 3.651 1.833) 4.448 23.097 ( -0.214 0.911 -0.990) 1.362 23.262 ( -5.410 -2.172 -0.376) 5.842 23.306 ( -2.413 -1.507 -3.993) 4.903 23.611 ( 4.216 4.135 2.153) 6.285 23.741 ( -2.503 8.875 1.997) 9.435 24.939 ( 0.574 -29.123 10.284) 30.890 25.072 ( 2.701 -13.078 2.465) 13.579 25.406 ( 1.730 3.858 3.550) 5.521 25.956 ( -11.141 -2.248 -4.440) 12.202 26.616 ( 8.738 19.211 -1.200) 21.139 27.017 ( -1.186 6.670 -12.230) 13.981 ======================= Grid point 283 (149/172) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.759 13.286 3.929) 14.355 1.548 ( 1.229 11.699 -4.402) 12.560 1.797 ( 0.767 2.186 7.849) 8.183 1.924 ( 1.859 -4.634 -4.775) 6.909 2.252 ( 4.454 -0.422 10.751) 11.645 2.486 ( -5.052 -9.736 -1.678) 11.096 2.598 ( -3.295 -0.024 0.459) 3.327 2.728 ( -0.523 -3.345 -4.011) 5.248 2.802 ( 0.129 6.651 6.394) 9.227 2.965 ( 1.751 3.466 -6.638) 7.690 3.291 ( -3.530 0.659 4.400) 5.679 3.297 ( 2.346 -1.033 1.054) 2.772 3.490 ( 3.551 -1.739 4.589) 6.058 3.533 ( -1.568 -3.297 0.434) 3.676 3.684 ( -1.698 0.746 1.406) 2.327 3.754 ( 0.463 -0.915 -2.783) 2.966 4.105 ( -2.541 0.192 -1.812) 3.127 4.146 ( 2.926 -0.877 -3.137) 4.378 4.217 ( -2.545 -5.236 2.072) 6.179 4.295 ( 1.744 -7.338 -3.418) 8.281 4.570 ( -0.327 7.005 5.224) 8.745 4.632 ( 1.918 5.719 0.034) 6.033 4.784 ( -1.933 -0.434 0.980) 2.210 4.849 ( 5.058 -2.835 -4.599) 7.401 4.994 ( -4.865 -1.318 5.467) 7.436 5.066 ( 4.315 -3.510 -0.817) 5.622 5.389 ( -0.337 3.819 1.617) 4.161 5.463 ( 0.013 1.114 -3.154) 3.345 5.932 ( 1.739 3.353 2.552) 4.558 5.967 ( -0.398 2.195 -1.318) 2.591 6.038 ( -0.119 4.478 10.162) 11.105 6.137 ( 2.655 -1.748 3.945) 5.066 6.436 ( -0.856 1.033 -1.448) 1.974 6.542 ( -1.115 1.098 -10.886) 10.998 6.639 ( -0.413 0.872 5.673) 5.754 6.873 ( 0.946 -6.854 -13.104) 14.819 7.367 ( -0.447 1.424 -2.947) 3.303 7.373 ( -3.957 1.492 -3.928) 5.772 7.820 ( 1.067 -7.762 1.452) 7.969 7.859 ( -0.632 -8.132 -2.361) 8.492 8.778 ( 1.538 0.216 0.930) 1.810 8.807 ( -0.044 -1.029 -1.557) 1.866 9.895 ( -0.261 1.804 4.023) 4.417 9.975 ( -0.737 -1.671 -3.248) 3.726 10.284 ( 0.793 -0.026 1.817) 1.983 10.326 ( -0.870 -1.952 -1.780) 2.781 10.663 ( 2.802 5.726 4.215) 7.643 10.743 ( -1.924 3.773 -2.859) 5.110 11.132 ( 1.183 -3.865 1.817) 4.431 11.186 ( -2.139 -4.724 -2.695) 5.844 11.443 ( 0.380 1.629 2.487) 2.997 11.467 ( -0.552 0.582 0.307) 0.858 12.530 ( 1.799 0.603 0.319) 1.924 12.552 ( -1.891 -0.278 -1.701) 2.558 13.172 ( -0.044 6.559 5.200) 8.370 13.258 ( 0.287 3.383 -2.825) 4.416 16.767 ( 0.942 0.571 2.685) 2.902 16.796 ( 0.495 -0.756 0.381) 0.980 16.899 ( 0.121 0.350 -0.562) 0.673 16.912 ( -1.503 -0.268 -1.441) 2.099 23.034 ( 2.716 3.114 2.775) 4.978 23.093 ( -2.259 2.778 -2.484) 4.357 23.161 ( -1.449 -2.435 1.908) 3.416 23.210 ( -0.700 -2.178 -2.502) 3.390 23.848 ( -0.095 10.922 5.974) 12.449 23.947 ( 1.161 13.456 -3.376) 13.922 24.544 ( 1.855 -23.013 10.548) 25.383 24.699 ( -0.841 -21.434 -4.234) 21.865 25.602 ( 1.631 3.280 5.505) 6.613 25.712 ( -2.748 -1.605 -4.357) 5.395 26.970 ( -1.426 9.934 -2.457) 10.332 27.036 ( 2.453 5.641 -7.900) 10.013 ======================= Grid point 284 (150/172) ======================= q-point: ( 0.08 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 11.280 11.800 3.807) 16.762 1.639 ( 13.507 9.654 -0.243) 16.604 1.937 ( 9.308 -1.782 2.037) 9.693 1.957 ( 10.271 1.237 -5.974) 11.946 2.305 ( -2.243 0.738 -10.427) 10.691 2.502 ( 7.373 -2.975 10.903) 13.493 2.656 ( 0.275 -2.969 7.088) 7.689 2.672 ( -2.890 -2.243 -0.781) 3.741 2.807 ( -1.101 -2.570 -3.321) 4.341 2.990 ( 5.674 0.466 0.611) 5.725 3.230 ( -4.284 1.433 -0.371) 4.533 3.327 ( -1.280 2.873 1.161) 3.353 3.476 ( -1.268 -3.728 -3.687) 5.394 3.575 ( 1.906 -3.779 -1.911) 4.644 3.673 ( 1.089 2.545 0.071) 2.769 3.788 ( 2.056 -2.201 3.550) 4.655 4.042 ( -4.609 0.762 1.146) 4.810 4.139 ( -2.845 -4.144 -1.830) 5.349 4.208 ( 4.848 -1.048 0.231) 4.966 4.366 ( 6.094 -5.748 1.332) 8.482 4.568 ( -1.415 7.474 -0.826) 7.652 4.697 ( 6.835 5.560 -2.769) 9.236 4.774 ( -0.435 0.596 -0.895) 1.160 4.921 ( 9.262 -2.406 -1.988) 9.774 4.984 ( -0.767 -1.519 4.100) 4.439 5.149 ( 8.028 -5.488 -4.991) 10.930 5.433 ( 1.817 4.974 0.690) 5.340 5.468 ( 4.463 5.347 0.567) 6.987 5.892 ( -5.418 5.891 -3.159) 8.604 5.965 ( -1.421 1.923 0.416) 2.427 6.050 ( -4.339 -0.765 -1.055) 4.530 6.137 ( -3.067 -0.441 -4.085) 5.127 6.399 ( -3.651 1.833 2.852) 4.982 6.450 ( -1.845 -0.684 -0.903) 2.165 6.671 ( -5.634 -3.937 2.753) 7.404 6.758 ( 0.069 -5.504 1.119) 5.617 7.347 ( 0.111 2.211 2.133) 3.075 7.396 ( 3.430 0.891 4.234) 5.522 7.827 ( -0.013 -7.799 -2.332) 8.140 7.851 ( 0.390 -8.052 1.619) 8.223 8.790 ( 1.870 0.985 -1.999) 2.909 8.834 ( 3.567 -0.629 -0.057) 3.622 9.902 ( -3.506 0.477 -1.899) 4.015 9.933 ( -1.775 -0.541 3.417) 3.888 10.309 ( 1.626 0.087 -1.813) 2.437 10.349 ( 4.391 -1.705 1.960) 5.102 10.652 ( -3.014 5.998 -4.049) 7.839 10.755 ( 2.382 2.947 2.225) 4.394 11.114 ( -2.841 -3.397 -1.378) 4.638 11.185 ( 0.680 -4.699 2.681) 5.453 11.406 ( -5.005 1.918 0.077) 5.360 11.455 ( -2.412 0.220 0.182) 2.429 12.519 ( -0.382 1.240 -0.721) 1.484 12.577 ( 2.837 -1.183 1.073) 3.256 13.189 ( -3.425 4.938 -1.821) 6.279 13.204 ( -2.661 4.496 1.117) 5.342 16.768 ( -1.958 0.199 -2.312) 3.036 16.782 ( -1.567 -0.461 -0.234) 1.650 16.882 ( -1.211 0.775 0.763) 1.628 16.913 ( 0.287 -0.654 1.553) 1.709 23.022 ( -1.966 4.042 -2.568) 5.177 23.094 ( -0.334 1.130 1.524) 1.926 23.188 ( 0.010 -1.539 3.801) 4.101 23.205 ( 3.159 -2.694 -0.180) 4.155 23.824 ( -4.690 12.393 -1.052) 13.293 24.000 ( 7.067 13.282 -0.855) 15.070 24.587 ( -2.808 -24.206 -4.640) 24.806 24.708 ( 5.361 -19.040 2.508) 19.938 25.582 ( -3.318 5.247 -1.535) 6.395 25.778 ( 8.107 -4.556 3.011) 9.774 26.868 ( -8.593 10.817 0.669) 13.831 27.027 ( 1.665 3.903 -0.954) 4.350 ======================= Grid point 285 (151/172) ======================= q-point: ( 0.17 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 14.281 8.491 0.121) 16.615 1.900 ( 16.901 11.775 -2.730) 20.778 2.054 ( 15.973 3.387 -7.364) 17.912 2.149 ( 13.297 0.698 1.304) 13.379 2.218 ( 3.101 2.417 -4.048) 5.643 2.608 ( -4.682 0.851 2.568) 5.408 2.668 ( 4.924 -10.318 0.502) 11.444 2.724 ( -0.379 -0.601 -2.613) 2.708 2.838 ( 6.854 -3.480 7.694) 10.876 3.058 ( -3.549 -3.907 7.683) 9.322 3.187 ( -1.413 2.208 -3.305) 4.218 3.330 ( 9.039 4.104 -7.576) 12.487 3.398 ( 0.797 -3.177 -7.213) 7.922 3.517 ( -0.954 0.862 -5.943) 6.080 3.748 ( 4.110 -1.110 2.313) 4.845 3.869 ( -1.121 -4.045 6.615) 7.834 4.008 ( -3.981 1.572 5.711) 7.137 4.090 ( -1.453 -3.678 1.498) 4.228 4.337 ( 9.994 1.591 1.516) 10.233 4.429 ( 0.044 2.491 -3.392) 4.208 4.552 ( 5.089 1.966 -0.970) 5.541 4.730 ( -3.027 -2.517 -2.012) 4.421 4.759 ( 9.433 4.800 -7.227) 12.816 5.055 ( 7.670 -0.579 -0.123) 7.693 5.115 ( 6.596 -1.907 4.098) 7.996 5.204 ( 11.133 -9.801 -5.008) 15.655 5.427 ( -3.652 8.180 -0.867) 9.000 5.568 ( 5.594 6.947 0.871) 8.962 5.765 ( -1.942 -0.462 -2.657) 3.323 5.832 ( -8.879 -0.017 -7.298) 11.493 6.029 ( 1.496 -0.819 0.118) 1.709 6.046 ( -0.200 -2.712 -3.319) 4.291 6.346 ( -9.192 3.210 6.430) 11.668 6.429 ( -7.393 0.356 5.662) 9.319 6.575 ( -1.667 0.900 -5.347) 5.673 6.864 ( -0.389 -8.192 11.165) 13.854 7.371 ( -1.446 3.559 2.383) 4.521 7.535 ( 2.979 -0.462 8.167) 8.706 7.787 ( -1.318 -7.261 -3.147) 8.023 7.872 ( -0.843 -7.702 2.597) 8.171 8.819 ( 4.665 2.775 -1.314) 5.585 8.893 ( 3.853 0.058 0.399) 3.874 9.803 ( -5.567 2.623 -2.203) 6.536 9.942 ( -3.810 -2.939 4.825) 6.815 10.333 ( 3.475 2.980 -0.870) 4.660 10.434 ( 4.401 0.181 -2.324) 4.980 10.570 ( -0.630 2.875 -2.638) 3.952 10.772 ( -0.912 -3.650 -1.334) 3.992 11.067 ( -3.277 1.151 0.861) 3.579 11.188 ( -3.989 -2.800 0.561) 4.906 11.347 ( -2.332 1.101 1.298) 2.887 11.405 ( -2.654 -0.378 -0.308) 2.698 12.525 ( 1.376 2.106 0.353) 2.541 12.636 ( 2.741 -2.416 1.339) 3.891 13.077 ( -4.667 4.785 -4.713) 8.178 13.158 ( -5.640 2.252 0.816) 6.128 16.702 ( -2.459 0.067 -2.480) 3.493 16.727 ( -3.086 -1.285 -1.726) 3.762 16.881 ( -1.295 1.606 1.487) 2.543 16.928 ( -0.795 -0.680 1.379) 1.730 22.978 ( -1.063 4.516 -0.691) 4.691 23.076 ( -2.462 -0.131 0.956) 2.644 23.247 ( 0.504 -0.984 5.539) 5.648 23.278 ( 3.021 -2.535 2.300) 4.565 23.727 ( -3.586 11.521 -3.380) 12.530 24.096 ( 7.716 14.196 -3.772) 16.592 24.481 ( -1.209 -22.569 -6.249) 23.449 24.813 ( 7.161 -15.648 -1.532) 17.276 25.539 ( 0.073 8.217 -1.156) 8.298 25.947 ( 8.532 -10.912 2.834) 14.139 26.734 ( -11.441 14.186 2.956) 18.462 27.048 ( -1.660 0.052 3.978) 4.310 ======================= Grid point 286 (152/172) ======================= q-point: ( 0.25 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 8.432 12.541 -12.097) 19.357 2.076 ( 15.621 9.977 -9.696) 20.918 2.259 ( 10.367 2.714 -0.139) 10.717 2.294 ( 8.860 6.658 4.480) 11.954 2.360 ( 10.978 0.658 -2.518) 11.282 2.605 ( -1.233 -5.340 0.892) 5.552 2.676 ( 5.968 -1.193 -2.042) 6.420 2.778 ( 2.015 -4.199 4.050) 6.172 3.016 ( 2.561 -0.750 1.892) 3.271 3.075 ( -3.171 0.207 4.444) 5.463 3.130 ( -0.544 -2.058 2.866) 3.570 3.292 ( 1.483 -7.978 -6.110) 10.158 3.440 ( 10.251 4.753 -9.675) 14.875 3.500 ( 8.945 3.852 -0.769) 9.769 3.767 ( -2.361 -1.409 -1.446) 3.106 3.868 ( -6.694 -2.106 3.071) 7.660 4.044 ( -1.810 1.056 6.108) 6.458 4.176 ( 6.667 -5.260 4.459) 9.592 4.376 ( 3.149 3.677 -3.410) 5.922 4.559 ( 12.164 -2.506 1.504) 12.510 4.630 ( 0.635 -2.766 -2.112) 3.538 4.671 ( 1.240 -1.980 2.441) 3.379 4.841 ( 11.425 4.214 -4.175) 12.873 5.032 ( 1.648 2.131 -10.360) 10.705 5.287 ( 5.299 -2.708 1.218) 6.075 5.323 ( -0.171 -3.668 -0.510) 3.707 5.403 ( 3.493 3.881 8.975) 10.384 5.608 ( 2.415 -2.890 -3.685) 5.269 5.699 ( 2.392 4.459 -1.413) 5.253 5.797 ( 4.644 -0.780 1.468) 4.932 6.015 ( -1.139 -1.640 -1.033) 2.248 6.068 ( 2.987 -0.748 -0.242) 3.089 6.283 ( -8.130 2.633 5.287) 10.049 6.343 ( -8.221 0.843 1.940) 8.488 6.492 ( -2.325 6.367 -4.399) 8.081 6.955 ( -3.158 -10.910 7.686) 13.714 7.347 ( -3.479 3.728 0.074) 5.100 7.598 ( -3.532 -6.658 -1.898) 7.772 7.744 ( -1.416 -0.708 4.078) 4.374 7.894 ( -0.658 -6.919 3.272) 7.682 8.895 ( 4.698 3.950 0.515) 6.160 8.968 ( 4.258 1.941 2.178) 5.161 9.683 ( -6.674 4.141 -1.718) 8.040 9.923 ( -5.783 -5.504 4.344) 9.089 10.385 ( -0.881 7.008 0.431) 7.077 10.392 ( 3.698 4.090 -6.572) 8.579 10.581 ( 2.901 -2.544 -3.534) 5.233 10.745 ( -0.173 -7.785 1.016) 7.853 11.012 ( -4.355 1.197 -0.416) 4.536 11.083 ( -5.881 -1.574 -3.263) 6.907 11.362 ( -0.128 0.853 3.340) 3.450 11.385 ( -0.581 0.311 0.022) 0.659 12.566 ( 2.733 1.984 0.999) 3.522 12.687 ( 1.699 -2.601 1.041) 3.276 12.947 ( -4.516 3.680 -4.455) 7.334 13.053 ( -6.746 0.168 -1.790) 6.981 16.644 ( -1.688 -0.301 -1.496) 2.275 16.662 ( -2.745 -1.342 -1.180) 3.275 16.866 ( -2.160 1.866 0.364) 2.877 16.918 ( -1.939 -0.635 0.433) 2.086 22.974 ( -0.596 4.384 2.145) 4.917 23.069 ( -0.793 -0.512 3.028) 3.172 23.325 ( 0.122 -0.278 5.006) 5.015 23.347 ( -1.225 -0.110 8.180) 8.271 23.653 ( -0.085 8.502 -3.484) 9.189 24.118 ( 4.958 7.179 -9.373) 12.805 24.424 ( 1.976 -13.131 -4.475) 14.013 24.887 ( 8.034 -13.995 -6.624) 17.444 25.560 ( 2.583 10.303 1.335) 10.706 26.103 ( 8.047 -15.032 1.685) 17.134 26.585 ( -12.341 17.942 3.247) 22.017 27.056 ( -4.669 -4.284 5.009) 8.077 ======================= Grid point 287 (153/172) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 7.229 10.598 -12.760) 18.094 2.155 ( 12.071 7.505 -14.009) 19.957 2.348 ( 2.884 7.407 -5.320) 9.565 2.400 ( 2.244 -0.252 -0.074) 2.259 2.510 ( 9.108 1.954 2.076) 9.543 2.631 ( 0.709 0.528 7.173) 7.227 2.752 ( 3.255 1.549 -7.526) 8.345 2.826 ( 2.417 -5.929 2.855) 7.011 2.964 ( -6.222 -1.655 -8.227) 10.447 3.031 ( 1.187 -2.984 4.162) 5.257 3.274 ( 4.869 -3.014 7.602) 9.518 3.325 ( 1.616 -3.977 4.588) 6.283 3.530 ( 8.820 2.882 -0.180) 9.281 3.635 ( 4.198 5.122 -6.463) 9.254 3.762 ( 6.968 -4.566 4.791) 9.610 3.774 ( -3.572 -0.796 -0.210) 3.665 4.081 ( 0.018 1.302 2.912) 3.190 4.327 ( 5.377 -4.365 3.418) 7.724 4.425 ( 4.711 -0.207 -2.003) 5.123 4.557 ( -1.298 -2.339 -0.641) 2.751 4.702 ( 2.389 1.706 0.951) 3.086 4.778 ( 5.764 -3.286 2.821) 7.210 4.938 ( 1.807 2.789 -8.460) 9.090 5.079 ( 16.056 1.949 5.725) 17.157 5.172 ( -5.431 0.571 -4.564) 7.117 5.462 ( 7.930 -5.229 1.426) 9.605 5.552 ( 1.285 3.972 9.548) 10.421 5.649 ( 1.972 -1.657 1.847) 3.170 5.775 ( 7.454 3.154 -2.157) 8.377 5.889 ( 3.396 0.064 2.646) 4.306 5.980 ( -2.346 -1.654 0.064) 2.871 6.109 ( 2.965 -1.176 -0.655) 3.256 6.191 ( -5.780 2.460 -2.493) 6.758 6.271 ( -3.840 0.205 1.930) 4.303 6.393 ( -4.551 7.431 -2.684) 9.118 6.935 ( -6.584 -12.469 1.498) 14.180 7.274 ( -4.008 2.432 -1.995) 5.095 7.432 ( -6.927 -4.700 -8.038) 11.606 7.812 ( -0.199 -0.112 6.916) 6.920 7.927 ( -0.450 -5.919 3.432) 6.857 8.956 ( 2.763 5.996 0.386) 6.613 9.072 ( 3.319 3.528 3.925) 6.234 9.569 ( -5.148 3.061 -1.013) 6.074 9.864 ( -7.103 -7.473 2.736) 10.667 10.313 ( -0.588 5.144 -3.679) 6.352 10.437 ( 2.034 6.247 -0.315) 6.577 10.557 ( 1.117 -2.972 -3.484) 4.713 10.760 ( -1.613 -6.768 -1.309) 7.080 10.924 ( -2.452 0.946 -1.777) 3.172 11.010 ( 1.257 -2.460 -1.704) 3.245 11.356 ( -2.186 1.660 -1.253) 3.017 11.399 ( -1.020 -0.222 3.116) 3.286 12.626 ( 3.226 1.251 0.886) 3.571 12.702 ( -0.726 -0.835 -0.413) 1.181 12.849 ( -2.302 1.094 -2.482) 3.558 12.920 ( -5.932 -0.879 -3.255) 6.823 16.619 ( -0.442 -0.704 0.105) 0.838 16.621 ( -1.114 -0.887 -0.253) 1.446 16.824 ( -2.689 1.924 -0.957) 3.442 16.879 ( -2.782 -0.690 -0.704) 2.951 23.012 ( 0.575 4.483 4.329) 6.258 23.129 ( 1.399 -1.186 5.691) 5.979 23.346 ( -5.513 4.166 6.278) 9.337 23.442 ( -0.657 0.344 9.467) 9.496 23.661 ( 3.136 3.152 0.867) 4.530 24.057 ( 4.378 0.155 -11.086) 11.920 24.403 ( 2.145 -4.313 -5.665) 7.436 24.881 ( 4.492 -13.505 -11.409) 18.241 25.654 ( 5.066 11.887 4.209) 13.590 26.224 ( 4.268 -12.902 0.642) 13.605 26.452 ( -7.237 16.768 2.673) 18.458 27.010 ( -7.197 -7.717 2.620) 10.872 ======================= Grid point 288 (154/172) ======================= q-point: ( 0.42 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 8.058 6.281 -8.806) 13.488 2.093 ( 1.971 1.410 -13.066) 13.289 2.276 ( -1.238 3.958 -3.577) 5.477 2.460 ( 2.327 1.341 -0.644) 2.762 2.570 ( 0.415 -3.939 -3.132) 5.049 2.642 ( -6.205 -5.904 -11.811) 14.590 2.722 ( -4.664 -1.222 4.669) 6.712 2.811 ( 3.318 5.219 8.804) 10.759 2.931 ( 7.790 -6.230 -5.082) 11.194 3.132 ( 3.332 -3.621 4.194) 6.466 3.361 ( -1.787 3.532 2.818) 4.859 3.415 ( 1.374 0.254 4.680) 4.884 3.543 ( 3.159 3.731 -6.809) 8.382 3.671 ( -1.702 5.483 1.400) 5.909 3.796 ( 8.800 -3.392 4.821) 10.592 3.994 ( 6.236 -4.836 5.377) 9.549 4.146 ( 5.208 2.519 3.587) 6.807 4.404 ( -0.546 -5.175 2.713) 5.868 4.445 ( 1.876 5.343 0.456) 5.681 4.591 ( 2.200 -0.018 2.014) 2.983 4.739 ( 1.401 5.003 0.898) 5.272 4.861 ( -1.126 4.374 -4.167) 6.146 4.893 ( 4.921 -4.452 0.466) 6.653 5.044 ( -4.237 -2.764 -3.838) 6.350 5.401 ( 14.586 -0.333 5.426) 15.567 5.583 ( 8.916 -0.892 -3.578) 9.648 5.661 ( -2.461 5.559 6.336) 8.781 5.677 ( -1.851 0.908 5.646) 6.010 5.820 ( 2.979 -0.353 -4.344) 5.280 5.955 ( -0.839 -3.519 1.772) 4.028 5.977 ( 1.572 1.573 5.272) 5.722 6.071 ( -2.585 1.566 -5.274) 6.079 6.129 ( -0.268 2.288 -2.968) 3.757 6.248 ( -0.628 -1.707 0.680) 1.942 6.324 ( -1.265 1.490 0.733) 2.087 6.791 ( -9.306 -11.924 -4.477) 15.774 7.192 ( -2.833 0.916 -2.256) 3.736 7.250 ( -4.383 -1.387 -6.282) 7.785 7.888 ( 0.616 -1.145 5.208) 5.368 7.955 ( -0.683 -4.471 2.618) 5.226 9.006 ( 3.646 7.924 0.140) 8.724 9.126 ( -1.744 7.361 2.119) 7.855 9.528 ( 0.598 -2.839 1.136) 3.116 9.773 ( -7.239 -8.997 0.683) 11.568 10.290 ( 1.222 4.558 -0.822) 4.790 10.432 ( -1.831 3.252 -0.322) 3.746 10.552 ( 1.893 -0.966 -2.120) 3.002 10.657 ( -3.204 -1.885 -5.447) 6.595 10.927 ( 2.457 0.810 0.276) 2.602 11.048 ( 2.905 -2.322 -0.527) 3.756 11.303 ( -1.553 0.940 -0.915) 2.033 11.393 ( -3.505 -2.057 1.760) 4.429 12.663 ( -1.902 0.667 -1.020) 2.259 12.675 ( 1.717 0.242 -0.230) 1.750 12.809 ( -0.189 -0.128 -3.756) 3.763 12.815 ( -3.100 -1.250 0.199) 3.349 16.618 ( 0.282 -0.116 1.106) 1.148 16.639 ( 1.672 -0.950 1.243) 2.290 16.764 ( -2.581 1.708 -1.990) 3.680 16.818 ( -3.188 -0.769 -1.711) 3.699 23.094 ( 2.590 5.024 4.989) 7.539 23.217 ( -1.752 1.865 7.104) 7.551 23.333 ( -1.037 2.208 2.677) 3.621 23.521 ( -5.096 -2.085 9.016) 10.564 23.756 ( 4.716 2.175 4.934) 7.164 24.025 ( 5.297 1.058 -6.679) 8.589 24.351 ( 0.881 -4.461 -6.093) 7.602 24.754 ( -0.644 -12.174 -14.471) 18.921 25.802 ( 5.881 12.783 5.684) 15.176 26.188 ( -5.792 8.572 -2.029) 10.542 26.496 ( 5.542 -4.556 4.271) 8.350 26.898 ( -7.823 -9.220 -1.322) 12.164 ======================= Grid point 289 (155/172) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.993 1.519 -0.680) 1.938 1.963 ( -2.038 -2.102 -8.270) 8.774 2.276 ( 3.184 -1.750 0.106) 3.635 2.311 ( -11.082 -1.893 -2.935) 11.619 2.498 ( -2.696 -3.505 -1.671) 4.727 2.516 ( -2.372 -3.788 -1.126) 4.609 2.765 ( -0.192 -4.263 5.225) 6.746 2.934 ( 5.248 -8.044 -1.415) 9.709 3.023 ( 8.652 5.540 -0.475) 10.285 3.167 ( 1.386 0.170 -6.481) 6.630 3.357 ( -2.225 4.994 4.734) 7.232 3.438 ( 0.218 1.914 -1.567) 2.483 3.567 ( 1.071 6.167 2.871) 6.886 3.641 ( -0.757 6.298 -1.941) 6.633 3.965 ( 4.432 -6.706 3.079) 8.608 4.032 ( -2.412 -5.814 -2.090) 6.632 4.327 ( 6.332 5.643 7.479) 11.308 4.425 ( -3.824 5.547 -1.492) 6.901 4.443 ( -7.996 4.510 11.486) 14.704 4.625 ( 2.696 -1.144 -0.777) 3.029 4.763 ( -3.903 3.886 -3.466) 6.507 4.791 ( 6.910 6.624 -4.254) 10.475 4.941 ( -4.041 -4.391 -0.006) 5.967 4.971 ( 2.846 -4.803 -1.193) 5.709 5.591 ( -3.624 2.564 1.300) 4.626 5.642 ( 6.530 2.704 0.235) 7.071 5.671 ( 3.999 0.454 -1.254) 4.215 5.699 ( -3.187 0.834 0.724) 3.372 5.826 ( 2.060 -2.610 2.700) 4.283 5.955 ( -0.223 -4.490 -3.965) 5.994 5.976 ( -2.728 2.975 1.628) 4.352 6.041 ( -0.839 -0.119 -1.857) 2.041 6.132 ( 4.690 4.395 3.175) 7.169 6.197 ( -4.062 2.221 -1.939) 5.019 6.424 ( 7.233 -7.462 6.169) 12.085 6.568 ( -9.619 -9.635 -6.835) 15.234 7.145 ( -0.410 0.145 -0.943) 1.039 7.161 ( -0.418 -0.385 -2.598) 2.659 7.949 ( 1.059 -2.272 2.719) 3.699 7.966 ( -0.839 -3.107 1.069) 3.391 9.078 ( 5.184 8.933 -0.083) 10.329 9.083 ( -3.623 9.771 -0.278) 10.425 9.608 ( 5.464 -7.974 3.050) 10.136 9.658 ( -6.674 -9.099 -1.236) 11.351 10.331 ( 3.122 4.016 1.941) 5.445 10.379 ( -3.231 2.975 -1.881) 4.777 10.541 ( -0.874 -0.437 -0.806) 1.267 10.588 ( 1.670 -1.551 -3.999) 4.603 10.989 ( 3.818 2.350 1.237) 4.651 11.023 ( -3.628 2.398 -2.037) 4.803 11.324 ( 0.456 -3.305 1.708) 3.748 11.340 ( -1.957 -3.376 0.286) 3.912 12.637 ( -0.757 0.566 0.780) 1.226 12.666 ( -0.473 -0.604 -1.669) 1.837 12.782 ( -1.735 0.058 0.065) 1.737 12.801 ( 2.788 -0.644 -1.790) 3.375 16.654 ( 1.764 0.793 1.937) 2.738 16.693 ( 1.500 -0.526 0.598) 1.698 16.706 ( -0.295 0.572 -1.008) 1.195 16.745 ( -2.867 -0.760 -2.278) 3.740 23.195 ( 1.003 5.884 3.670) 7.006 23.217 ( -1.887 5.705 3.148) 6.784 23.413 ( 3.207 -0.846 5.184) 6.154 23.481 ( -6.366 -3.978 1.326) 7.623 23.920 ( 6.839 1.621 5.842) 9.139 24.007 ( -1.261 5.967 -4.739) 7.724 24.332 ( 0.164 -10.068 2.226) 10.313 24.544 ( -2.043 -11.089 -15.080) 18.829 25.945 ( 0.295 13.330 6.996) 15.058 26.075 ( -0.353 12.744 -5.128) 13.741 26.630 ( -2.074 -8.794 7.270) 11.597 26.777 ( 2.877 -9.513 -6.482) 11.865 ======================= Grid point 290 (156/172) ======================= q-point: (-0.42 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -12.856 1.733 0.267) 12.976 1.872 ( -6.783 0.371 6.089) 9.123 2.179 ( -5.649 0.203 5.122) 7.628 2.405 ( -1.941 -3.204 4.974) 6.227 2.457 ( 2.769 -5.832 1.373) 6.600 2.478 ( -3.103 -5.192 4.550) 7.570 2.809 ( 0.068 -2.602 2.087) 3.336 2.963 ( 7.079 -4.059 -9.641) 12.631 3.051 ( -0.181 5.473 -12.490) 13.637 3.141 ( 3.930 0.455 2.181) 4.518 3.387 ( -1.102 1.146 1.745) 2.361 3.421 ( 1.254 1.800 -0.335) 2.220 3.554 ( -2.835 6.611 -2.016) 7.470 3.658 ( 1.745 5.971 1.647) 6.435 3.884 ( -9.148 -4.114 -3.918) 10.768 4.030 ( -2.436 -8.698 1.284) 9.124 4.214 ( -11.685 4.858 -2.957) 12.995 4.377 ( -10.204 4.295 6.526) 12.851 4.515 ( 1.646 4.115 -2.398) 5.039 4.665 ( -2.005 -0.757 4.714) 5.178 4.696 ( 3.475 5.869 -4.289) 8.057 4.794 ( -2.078 1.396 -0.750) 2.613 4.916 ( 1.301 0.528 -1.028) 1.740 5.001 ( 1.649 -3.091 0.791) 3.591 5.479 ( -8.994 0.282 -1.800) 9.176 5.537 ( -10.183 -3.681 -2.959) 11.225 5.722 ( -0.735 2.832 4.240) 5.152 5.746 ( 4.715 3.441 -3.942) 7.043 5.874 ( 0.882 -1.481 -8.124) 8.305 5.910 ( -0.437 -2.795 4.673) 5.462 5.988 ( -0.820 0.108 3.406) 3.505 6.063 ( 3.352 2.942 1.983) 4.881 6.084 ( -1.566 1.565 -3.089) 3.800 6.256 ( 4.275 3.021 0.260) 5.241 6.368 ( -5.618 -5.938 -3.701) 8.974 6.653 ( 10.259 -9.407 8.124) 16.116 7.164 ( 2.510 -0.188 1.703) 3.039 7.168 ( 3.093 -0.287 -0.091) 3.107 7.955 ( -0.671 -2.282 -0.986) 2.575 7.983 ( 0.993 -3.639 0.238) 3.779 9.021 ( -2.492 9.379 -1.059) 9.762 9.163 ( 5.328 7.696 -1.436) 9.469 9.550 ( -4.422 -5.414 -0.829) 7.040 9.748 ( 7.177 -9.478 2.685) 12.188 10.303 ( -2.724 3.730 -2.159) 5.098 10.424 ( 4.655 2.205 2.281) 5.634 10.523 ( -1.335 -1.033 0.640) 1.805 10.589 ( 2.479 0.212 -1.161) 2.746 10.937 ( -3.824 1.809 -0.873) 4.320 11.041 ( -0.012 -0.308 0.347) 0.464 11.274 ( -2.645 -0.160 1.762) 3.182 11.406 ( 3.571 -4.025 0.567) 5.410 12.653 ( 0.678 0.382 0.734) 1.070 12.658 ( 0.595 0.135 0.788) 0.996 12.754 ( -1.449 1.318 0.653) 2.065 12.835 ( 3.563 -2.202 -1.583) 4.478 16.651 ( -0.802 0.251 -1.883) 2.062 16.675 ( -2.188 -0.755 -2.023) 3.074 16.722 ( 3.220 1.552 1.845) 4.022 16.777 ( 3.655 -0.981 2.025) 4.292 23.158 ( -3.217 4.985 -0.302) 5.940 23.309 ( 5.265 6.089 0.830) 8.092 23.356 ( -6.470 -1.804 -1.398) 6.861 23.557 ( 4.058 0.301 6.092) 7.326 23.861 ( -6.459 4.846 -6.788) 10.549 24.060 ( 5.274 -1.538 -4.495) 7.098 24.264 ( -8.822 -7.116 1.522) 11.436 24.501 ( 3.702 -13.849 4.841) 15.131 25.878 ( -8.582 12.418 -0.765) 15.114 26.150 ( 7.481 10.364 1.013) 12.823 26.542 ( -7.862 -3.255 0.062) 8.509 26.903 ( 13.369 -10.649 -1.782) 17.185 ======================= Grid point 291 (157/172) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -11.148 10.642 9.767) 18.246 1.843 ( -12.559 5.246 13.151) 18.926 2.178 ( -7.483 0.101 9.564) 12.144 2.366 ( -6.143 -6.266 3.043) 9.288 2.443 ( -4.066 -0.568 4.618) 6.179 2.606 ( -0.322 -1.440 5.890) 6.072 2.809 ( -3.120 5.599 0.815) 6.462 2.909 ( 2.768 -0.475 -11.581) 11.917 2.941 ( 4.838 -0.618 -7.108) 8.620 3.150 ( -0.490 -6.002 -5.750) 8.326 3.404 ( -1.037 0.070 3.192) 3.357 3.424 ( 0.273 -1.668 -4.816) 5.104 3.469 ( -4.153 7.431 -4.054) 9.429 3.634 ( -6.970 5.855 -2.630) 9.475 3.733 ( -3.281 -1.602 3.397) 4.987 3.903 ( -7.966 -6.528 -5.807) 11.823 4.069 ( -3.935 0.059 2.945) 4.915 4.351 ( -3.505 -4.988 4.336) 7.481 4.416 ( -5.416 2.423 -3.987) 7.148 4.602 ( -5.050 -4.693 -2.496) 7.332 4.700 ( -0.909 5.522 -1.453) 5.782 4.792 ( -3.462 3.978 4.713) 7.073 4.864 ( -4.438 1.536 -3.371) 5.781 5.085 ( 5.497 -1.414 3.098) 6.467 5.216 ( -15.396 -3.150 -7.754) 17.524 5.396 ( -10.129 -3.182 4.107) 11.384 5.701 ( -5.056 6.169 -1.037) 8.043 5.727 ( -2.281 -2.325 -1.479) 3.577 5.796 ( 2.065 0.964 -7.972) 8.292 5.937 ( -2.635 -1.826 1.786) 3.670 5.948 ( -2.758 -0.654 -0.444) 2.869 6.114 ( 0.700 0.043 -0.207) 0.731 6.141 ( 5.281 4.362 1.041) 6.928 6.255 ( 1.824 -2.179 2.406) 3.724 6.394 ( 7.505 7.671 -1.875) 10.895 6.904 ( 10.985 -10.688 4.864) 16.080 7.242 ( 5.393 -0.114 0.829) 5.457 7.273 ( 5.824 -1.729 5.877) 8.453 7.922 ( -0.270 -1.894 -3.187) 3.717 7.988 ( 1.001 -4.907 -1.894) 5.354 8.981 ( -0.842 7.553 -1.636) 7.774 9.166 ( -1.045 2.640 -4.590) 5.397 9.536 ( 1.966 3.045 2.054) 4.166 9.881 ( 6.679 -8.868 1.171) 11.163 10.258 ( -1.669 4.305 0.577) 4.653 10.465 ( 0.203 0.311 -2.061) 2.094 10.520 ( -0.286 1.675 0.156) 1.707 10.675 ( 5.349 -1.371 5.349) 7.688 10.906 ( 0.167 -0.877 0.410) 0.983 10.995 ( -3.440 -3.897 -0.418) 5.215 11.306 ( 1.392 3.268 3.310) 4.855 11.440 ( 0.979 -2.379 -0.870) 2.716 12.647 ( -1.916 1.743 -1.115) 2.820 12.686 ( 1.978 0.767 0.960) 2.329 12.784 ( 1.021 1.066 3.788) 4.065 12.882 ( 4.865 -3.269 -0.304) 5.870 16.627 ( -0.536 -0.372 -0.920) 1.128 16.635 ( 0.354 -0.859 -1.282) 1.583 16.797 ( 3.597 1.909 1.517) 4.346 16.855 ( 3.445 -0.817 1.535) 3.859 23.102 ( -1.156 4.511 -3.427) 5.782 23.235 ( -4.030 -1.872 -3.541) 5.682 23.406 ( 4.285 8.012 1.597) 9.225 23.615 ( -1.720 4.325 -8.112) 9.352 23.731 ( -2.173 0.551 4.007) 4.591 23.916 ( -7.602 -5.105 -6.760) 11.382 24.281 ( 0.195 -5.609 5.413) 7.797 24.622 ( -2.298 -14.639 11.700) 18.881 25.729 ( -7.597 11.676 -2.493) 14.151 26.207 ( -4.640 -6.806 2.049) 8.488 26.513 ( 8.493 15.174 -2.836) 17.619 27.081 ( 12.816 -9.546 -3.499) 16.359 ======================= Grid point 292 (158/172) ======================= q-point: (-0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -8.710 14.934 13.915) 22.193 1.794 ( -14.799 12.213 15.604) 24.732 2.149 ( -11.067 -1.720 9.338) 14.582 2.301 ( -6.645 -6.627 2.199) 9.638 2.386 ( -7.767 5.657 -1.226) 9.687 2.539 ( -10.981 4.736 2.196) 12.159 2.754 ( -0.937 4.576 -4.914) 6.780 2.860 ( 1.991 -2.842 -3.091) 4.647 3.005 ( 1.267 -1.640 4.937) 5.354 3.062 ( 0.212 -5.622 -3.602) 6.680 3.250 ( -12.166 4.206 -3.200) 13.264 3.295 ( -7.246 3.614 -6.409) 10.326 3.373 ( -4.504 -2.293 -2.806) 5.781 3.557 ( -0.173 4.574 -3.918) 6.025 3.737 ( 2.433 -3.252 0.052) 4.062 3.885 ( 7.620 -6.351 1.214) 9.994 4.105 ( 2.745 -1.823 2.002) 3.856 4.251 ( -8.508 -6.298 -3.158) 11.047 4.327 ( -5.793 0.626 1.716) 6.074 4.531 ( -5.582 -5.937 3.086) 8.714 4.634 ( -3.583 -1.036 -2.582) 4.536 4.715 ( -9.415 -3.055 -1.111) 9.960 4.762 ( -9.710 4.636 2.337) 11.011 4.925 ( -8.761 4.133 -1.106) 9.750 5.216 ( 5.035 -1.315 4.282) 6.739 5.286 ( -10.546 -5.044 4.048) 12.371 5.592 ( -5.507 3.479 -2.690) 7.048 5.634 ( -5.061 -3.707 -5.891) 8.606 5.719 ( 0.879 2.352 -6.158) 6.650 5.844 ( -3.733 -1.310 -2.745) 4.815 5.968 ( -0.711 -0.603 3.179) 3.313 6.083 ( -1.208 -1.100 -1.469) 2.197 6.279 ( 5.994 3.830 5.303) 8.872 6.358 ( 6.483 1.059 1.181) 6.674 6.485 ( 8.534 13.471 -4.076) 16.460 7.073 ( 8.652 -9.914 -3.032) 13.503 7.342 ( 6.231 0.797 0.231) 6.286 7.465 ( 6.649 -6.068 8.115) 12.120 7.872 ( 0.163 -1.085 -5.171) 5.286 7.973 ( 1.612 -5.569 -3.779) 6.921 8.938 ( -1.984 4.558 -2.966) 5.788 9.047 ( -5.393 0.974 -5.049) 7.452 9.631 ( 5.080 6.799 3.271) 9.096 9.975 ( 4.484 -7.301 -0.275) 8.572 10.269 ( -0.220 4.723 3.591) 5.937 10.419 ( -2.304 3.999 -1.979) 5.021 10.522 ( -0.191 -1.255 1.245) 1.779 10.769 ( 0.087 -7.251 -0.229) 7.255 10.973 ( 6.834 -0.064 3.572) 7.712 11.007 ( 3.568 -1.416 2.622) 4.649 11.357 ( 0.164 2.298 2.352) 3.293 11.419 ( -1.246 -0.643 -1.827) 2.303 12.594 ( -2.319 2.519 -1.707) 3.826 12.709 ( 0.092 -1.222 -0.872) 1.504 12.852 ( 2.321 3.066 4.332) 5.793 12.997 ( 7.132 -2.398 3.043) 8.116 16.622 ( 0.484 -0.097 0.490) 0.696 16.649 ( 2.075 -1.564 0.015) 2.599 16.863 ( 3.128 1.934 0.592) 3.725 16.916 ( 2.594 -0.593 0.624) 2.733 23.044 ( -0.263 4.871 -4.176) 6.422 23.147 ( -1.504 -0.960 -3.847) 4.241 23.437 ( -6.448 3.488 -2.013) 7.603 23.484 ( 3.464 5.219 -5.404) 8.273 23.649 ( -4.384 -1.500 -5.997) 7.578 23.885 ( -3.474 2.350 12.173) 12.875 24.322 ( -2.793 -9.812 4.550) 11.170 24.697 ( -4.925 -14.984 10.585) 18.995 25.598 ( -5.445 10.893 -1.915) 12.328 26.105 ( -9.151 -12.249 1.271) 15.343 26.680 ( 16.581 19.689 -5.204) 26.262 27.197 ( 10.106 -6.409 -7.497) 14.122 ======================= Grid point 293 (159/172) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -12.354 14.954 15.244) 24.671 1.754 ( -13.233 12.849 10.053) 21.006 2.016 ( -14.966 2.590 0.555) 15.198 2.183 ( -8.700 -3.022 -1.840) 9.391 2.217 ( -7.728 2.913 -2.773) 8.712 2.445 ( -8.828 -4.445 10.563) 14.466 2.680 ( -0.054 3.897 -3.495) 5.235 2.839 ( -0.114 -3.666 -5.118) 6.297 2.955 ( -8.189 3.085 2.838) 9.200 3.080 ( -11.834 9.379 3.278) 15.451 3.151 ( 0.871 -2.256 5.128) 5.669 3.175 ( 4.499 0.155 -1.114) 4.638 3.298 ( 0.507 -5.351 -3.284) 6.298 3.520 ( 3.986 -0.003 -5.043) 6.428 3.785 ( 0.053 -1.056 -0.956) 1.426 3.972 ( -0.382 -7.251 -2.702) 7.748 4.127 ( -0.087 -2.924 -1.097) 3.124 4.136 ( 2.105 -1.895 -3.842) 4.773 4.321 ( 1.145 2.735 5.352) 6.118 4.371 ( -11.225 0.768 -1.605) 11.365 4.541 ( -9.396 -1.131 0.394) 9.472 4.600 ( -10.939 -0.996 6.188) 12.607 4.675 ( 0.786 -3.584 3.860) 5.326 4.915 ( -2.812 1.035 7.938) 8.485 5.128 ( -11.671 -4.157 -0.186) 12.391 5.314 ( -2.149 -11.101 -2.789) 11.646 5.433 ( -2.217 5.691 -4.093) 7.352 5.530 ( -4.634 2.479 1.684) 5.519 5.727 ( 4.368 0.214 0.571) 4.411 5.780 ( 1.661 -0.481 -3.610) 4.002 5.992 ( -0.952 0.126 2.868) 3.024 6.048 ( -0.583 -0.923 -1.737) 2.052 6.414 ( 1.441 4.516 6.075) 7.706 6.464 ( 6.982 2.176 -0.941) 7.373 6.568 ( 9.911 11.821 -5.840) 16.495 7.096 ( 4.669 -8.555 -10.160) 14.079 7.421 ( 4.839 2.045 -2.233) 5.709 7.617 ( 2.081 -7.865 3.334) 8.792 7.802 ( -0.036 -0.652 -6.074) 6.109 7.951 ( 1.920 -6.324 -4.816) 8.177 8.838 ( -4.934 2.667 -3.143) 6.429 8.923 ( -4.289 -0.388 -2.534) 4.997 9.747 ( 4.379 6.082 3.286) 8.183 10.012 ( 1.594 -4.897 -1.101) 5.266 10.305 ( -1.312 3.117 1.884) 3.872 10.374 ( -1.689 3.310 1.243) 3.918 10.537 ( 0.212 -0.473 1.175) 1.284 10.757 ( 0.607 -7.166 -0.240) 7.196 11.084 ( 4.645 1.862 -0.240) 5.010 11.160 ( 7.549 -1.046 3.408) 8.349 11.358 ( -2.071 0.884 0.275) 2.269 11.392 ( 0.509 -0.477 0.601) 0.921 12.543 ( -1.557 2.708 -1.427) 3.434 12.673 ( -1.920 -2.310 -2.144) 3.691 12.962 ( 3.494 5.727 5.863) 8.910 13.144 ( 6.964 -1.043 2.212) 7.381 16.653 ( 1.525 0.248 1.974) 2.507 16.695 ( 2.699 -1.873 1.204) 3.499 16.904 ( 1.990 1.731 -0.581) 2.701 16.947 ( 1.276 -0.426 -0.407) 1.405 22.996 ( -0.633 5.301 -2.494) 5.892 23.105 ( 0.855 -0.327 -2.111) 2.301 23.318 ( -4.497 -0.190 -2.341) 5.073 23.386 ( -5.003 -1.903 -6.097) 8.113 23.643 ( 2.062 7.467 4.329) 8.874 23.968 ( -2.657 9.085 8.245) 12.553 24.324 ( -5.074 -16.692 8.032) 19.207 24.730 ( -3.051 -16.012 5.810) 17.305 25.524 ( -2.553 9.450 0.174) 9.791 25.975 ( -8.646 -11.140 0.151) 14.102 26.858 ( 15.804 16.629 -8.316) 24.402 27.209 ( 5.229 -1.430 -10.341) 11.675 ======================= Grid point 294 (160/172) ======================= q-point: (-0.08 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -13.977 12.265 3.704) 18.961 1.642 ( -9.374 13.154 8.802) 18.395 1.771 ( -10.932 6.095 0.877) 12.547 2.018 ( -6.740 -4.746 -3.810) 9.081 2.145 ( -1.475 0.300 2.987) 3.345 2.475 ( -6.874 -13.903 12.294) 19.791 2.695 ( 3.921 4.236 0.340) 5.782 2.760 ( -2.497 2.898 -6.719) 7.731 2.817 ( -5.167 -0.183 -5.042) 7.222 3.005 ( -5.447 10.430 5.688) 13.069 3.232 ( 0.517 -3.495 5.951) 6.920 3.244 ( 5.258 -1.270 -1.988) 5.763 3.355 ( 3.819 -1.968 6.144) 7.497 3.544 ( 2.510 -4.622 -1.777) 5.551 3.711 ( -2.341 1.884 -3.254) 4.430 3.852 ( -7.709 -4.250 -2.144) 9.061 4.135 ( 2.694 0.399 -4.046) 4.877 4.175 ( 6.368 -2.011 -2.446) 7.112 4.201 ( -6.926 -0.079 -0.087) 6.927 4.381 ( -7.166 -4.140 0.111) 8.277 4.496 ( 2.842 4.991 4.825) 7.502 4.557 ( -2.649 5.228 8.303) 10.163 4.762 ( 3.217 -2.798 2.678) 5.035 4.929 ( -11.421 -7.176 1.164) 13.539 4.977 ( -2.213 -0.385 5.568) 6.004 5.124 ( -4.390 -6.534 -9.086) 12.022 5.419 ( -2.738 3.014 -0.028) 4.072 5.496 ( -2.666 0.379 1.466) 3.066 5.819 ( 6.291 2.027 1.984) 6.901 5.886 ( 6.071 2.445 7.037) 9.611 5.994 ( -1.468 0.906 0.540) 1.808 6.046 ( 1.800 -2.078 1.240) 3.016 6.454 ( -1.534 5.369 1.880) 5.892 6.559 ( 3.553 1.890 2.863) 4.939 6.629 ( 7.896 5.504 -9.566) 13.570 7.000 ( 2.626 -7.431 -13.864) 15.947 7.425 ( 1.093 2.520 -5.011) 5.715 7.545 ( -5.386 -0.301 -8.433) 10.011 7.785 ( 1.170 -6.697 1.069) 6.882 7.908 ( -0.449 -7.975 -4.092) 8.975 8.765 ( -1.465 1.539 -0.010) 2.125 8.846 ( -2.880 -1.735 -1.140) 3.551 9.838 ( 2.097 4.019 3.385) 5.657 10.008 ( 0.472 -3.058 -2.079) 3.728 10.281 ( -1.682 1.545 0.230) 2.296 10.365 ( -2.524 -1.291 0.710) 2.923 10.576 ( 2.530 4.084 2.471) 5.403 10.774 ( 0.176 -2.468 0.324) 2.495 11.112 ( 1.200 0.482 -1.204) 1.767 11.238 ( 0.343 -3.436 -2.007) 3.994 11.371 ( 2.614 2.096 3.130) 4.585 11.440 ( 2.262 -0.651 1.826) 2.979 12.518 ( 0.029 2.134 -0.642) 2.229 12.611 ( -2.467 -1.664 -2.160) 3.677 13.083 ( 2.539 6.932 6.038) 9.537 13.244 ( 4.182 1.142 -0.537) 4.369 16.710 ( 1.763 0.540 2.934) 3.465 16.755 ( 2.369 -1.690 1.815) 3.430 16.911 ( 0.619 1.334 -1.490) 2.094 16.945 ( -0.278 -0.377 -1.279) 1.362 22.982 ( 0.566 4.730 0.878) 4.844 23.112 ( 1.189 -0.143 -0.488) 1.293 23.221 ( -5.425 -1.242 -1.391) 5.737 23.268 ( -2.241 -2.067 -3.600) 4.717 23.745 ( 2.662 9.060 5.967) 11.170 23.982 ( -2.576 14.097 1.341) 14.393 24.394 ( -1.368 -22.360 12.275) 25.545 24.738 ( -1.215 -18.765 0.575) 18.813 25.526 ( 0.543 7.126 2.811) 7.680 25.839 ( -7.375 -7.278 -1.921) 10.538 26.960 ( 10.217 12.729 -8.582) 18.441 27.131 ( 0.679 3.339 -9.535) 10.126 ======================= Grid point 295 (161/172) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.450 -5.835 -1.238) 5.982 1.707 ( -0.450 5.835 -1.238) 5.982 1.790 ( 0.406 -1.745 -0.347) 1.825 1.790 ( 0.406 1.745 -0.347) 1.825 2.294 ( 0.310 -5.804 11.833) 13.184 2.294 ( 0.310 5.804 11.833) 13.184 2.644 ( -1.643 -3.765 -7.368) 8.436 2.644 ( -1.643 3.765 -7.368) 8.436 2.971 ( -1.031 -6.023 -1.792) 6.368 2.971 ( -1.031 6.023 -1.792) 6.368 3.276 ( -0.320 -0.926 3.732) 3.859 3.276 ( -0.320 0.926 3.732) 3.859 3.476 ( 1.556 -1.350 3.352) 3.935 3.476 ( 1.556 1.350 3.352) 3.935 3.718 ( -0.527 -2.189 -1.129) 2.519 3.718 ( -0.527 2.189 -1.129) 2.519 4.130 ( -2.939 -2.711 -0.987) 4.119 4.130 ( -2.939 2.711 -0.987) 4.119 4.179 ( 1.974 -3.546 -2.431) 4.731 4.179 ( 1.974 3.546 -2.431) 4.731 4.673 ( -1.270 -1.841 -0.963) 2.436 4.673 ( -1.270 1.841 -0.963) 2.436 4.820 ( 5.910 -1.779 2.261) 6.573 4.820 ( 5.910 1.779 2.261) 6.573 4.983 ( -0.925 -2.531 2.217) 3.490 4.983 ( -0.925 2.531 2.217) 3.490 5.459 ( -0.162 -2.118 1.729) 2.739 5.459 ( -0.162 2.118 1.729) 2.739 5.966 ( 0.355 -0.951 0.880) 1.344 5.966 ( 0.355 0.951 0.880) 1.344 6.113 ( 1.516 -1.758 9.545) 9.823 6.113 ( 1.516 1.758 9.545) 9.823 6.492 ( -3.124 -3.763 -5.654) 7.476 6.492 ( -3.124 3.763 -5.654) 7.476 6.730 ( 1.963 -6.417 -9.372) 11.527 6.730 ( 1.963 6.417 -9.372) 11.527 7.389 ( -2.449 -0.353 -3.179) 4.028 7.389 ( -2.449 0.353 -3.179) 4.028 7.749 ( 0.230 -1.461 -0.651) 1.616 7.749 ( 0.230 1.461 -0.651) 1.616 8.788 ( 0.882 -0.728 -0.313) 1.186 8.788 ( 0.882 0.728 -0.313) 1.186 9.936 ( -0.595 -2.065 0.230) 2.161 9.936 ( -0.595 2.065 0.230) 2.161 10.295 ( -0.164 -1.065 0.007) 1.078 10.295 ( -0.164 1.065 0.007) 1.078 10.759 ( 1.386 -2.686 2.200) 3.738 10.759 ( 1.386 2.686 2.200) 3.738 11.107 ( -1.303 -1.975 -1.868) 3.015 11.107 ( -1.303 1.975 -1.868) 3.015 11.466 ( -0.011 -0.623 1.490) 1.615 11.466 ( -0.011 0.623 1.490) 1.615 12.543 ( -0.080 -0.571 -0.766) 0.959 12.543 ( -0.080 0.571 -0.766) 0.959 13.269 ( 0.141 -2.368 1.528) 2.822 13.269 ( 0.141 2.368 1.528) 2.822 16.781 ( 0.886 -0.724 1.834) 2.161 16.781 ( 0.886 0.724 1.834) 2.161 16.906 ( -0.856 -0.347 -1.292) 1.588 16.906 ( -0.856 0.347 -1.292) 1.588 23.097 ( 0.713 -2.815 2.332) 3.724 23.097 ( 0.713 2.815 2.332) 3.724 23.159 ( -1.518 -2.632 -2.531) 3.954 23.159 ( -1.518 2.632 -2.531) 3.954 24.130 ( 1.346 -16.325 9.187) 18.781 24.130 ( 1.346 16.325 9.187) 18.781 24.283 ( -0.370 -18.145 -4.798) 18.773 24.283 ( -0.370 18.145 -4.798) 18.773 25.666 ( -0.435 -2.810 0.752) 2.942 25.666 ( -0.435 2.810 0.752) 2.942 27.084 ( 0.385 -1.344 -5.333) 5.513 27.084 ( 0.385 1.344 -5.333) 5.513 ======================= Grid point 297 (162/172) ======================= q-point: ( 0.08 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 8.802 -4.470 0.909) 9.913 1.774 ( 8.802 4.470 0.909) 9.913 1.894 ( 12.910 -3.743 -0.314) 13.445 1.894 ( 12.910 3.743 -0.314) 13.445 2.393 ( 3.092 -5.989 -4.018) 7.847 2.393 ( 3.092 5.989 -4.018) 7.847 2.603 ( 0.768 -1.712 4.942) 5.286 2.603 ( 0.768 1.712 4.942) 5.286 2.921 ( -4.975 -7.245 2.088) 9.033 2.921 ( -4.975 7.245 2.088) 9.033 3.305 ( 0.963 -4.764 -0.184) 4.864 3.305 ( 0.963 4.764 -0.184) 4.864 3.476 ( -0.349 -4.650 -2.778) 5.428 3.476 ( -0.349 4.650 -2.778) 5.428 3.732 ( 1.372 -2.933 1.284) 3.483 3.732 ( 1.372 2.933 1.284) 3.483 4.076 ( -3.322 -2.279 0.213) 4.034 4.076 ( -3.322 2.279 0.213) 4.034 4.247 ( 7.323 -4.588 0.982) 8.697 4.247 ( 7.323 4.588 0.982) 8.697 4.697 ( 2.176 -4.228 0.884) 4.836 4.697 ( 2.176 4.228 0.884) 4.836 4.860 ( 5.091 -4.608 -5.836) 9.012 4.860 ( 5.091 4.608 -5.836) 9.012 5.013 ( 2.766 -5.919 -0.608) 6.561 5.013 ( 2.766 5.919 -0.608) 6.561 5.515 ( 5.411 -1.413 0.033) 5.592 5.515 ( 5.411 1.413 0.033) 5.592 5.964 ( -1.290 -1.107 -0.984) 1.965 5.964 ( -1.290 1.107 -0.984) 1.965 6.091 ( -9.009 -3.929 -3.811) 10.542 6.091 ( -9.009 3.929 -3.811) 10.542 6.434 ( -3.402 -1.212 5.586) 6.652 6.434 ( -3.402 1.212 5.586) 6.652 6.658 ( -1.772 -2.930 -0.610) 3.479 6.658 ( -1.772 2.930 -0.610) 3.479 7.393 ( 1.840 -1.554 3.435) 4.195 7.393 ( 1.840 1.554 3.435) 4.195 7.748 ( 0.262 -0.935 -0.387) 1.045 7.748 ( 0.262 0.935 -0.387) 1.045 8.814 ( 3.474 -1.177 -1.193) 3.857 8.814 ( 3.474 1.177 -1.193) 3.857 9.917 ( -2.740 -0.889 0.889) 3.015 9.917 ( -2.740 0.889 0.889) 3.015 10.321 ( 3.302 -1.036 0.279) 3.471 10.321 ( 3.302 1.036 0.279) 3.471 10.756 ( -1.710 -3.268 -2.438) 4.421 10.756 ( -1.710 3.268 -2.438) 4.421 11.101 ( 0.200 -2.506 2.018) 3.223 11.101 ( 0.200 2.506 2.018) 3.223 11.442 ( -3.815 -1.369 0.001) 4.053 11.442 ( -3.815 1.369 0.001) 4.053 12.548 ( 1.113 -1.522 0.226) 1.899 12.548 ( 1.113 1.522 0.226) 1.899 13.248 ( -3.577 -0.449 -0.416) 3.629 13.248 ( -3.577 0.449 -0.416) 3.629 16.774 ( -1.981 -0.347 -1.539) 2.532 16.774 ( -1.981 0.347 -1.539) 2.532 16.898 ( -0.277 -0.791 1.418) 1.647 16.898 ( -0.277 0.791 1.418) 1.647 23.093 ( -2.045 -2.119 -1.127) 3.153 23.093 ( -2.045 2.119 -1.127) 3.153 23.167 ( 2.312 -0.141 2.401) 3.337 23.167 ( 2.312 0.141 2.401) 3.337 24.140 ( -3.986 -18.220 -2.936) 18.881 24.140 ( -3.986 18.220 -2.936) 18.881 24.325 ( 7.999 -17.239 0.941) 19.028 24.325 ( 7.999 17.239 0.941) 19.028 25.684 ( 1.632 -4.712 0.546) 5.017 25.684 ( 1.632 4.712 0.546) 5.017 27.025 ( -3.817 -4.074 0.084) 5.584 27.025 ( -3.817 4.074 0.084) 5.584 ======================= Grid point 299 (163/172) ======================= q-point: ( 0.17 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 12.804 -6.721 2.800) 14.730 1.975 ( 12.804 6.721 2.800) 14.730 2.121 ( 17.500 -4.765 -5.026) 18.820 2.121 ( 17.500 4.765 -5.026) 18.820 2.383 ( 6.494 -11.941 -6.258) 14.964 2.383 ( 6.494 11.941 -6.258) 14.964 2.657 ( -3.672 -3.631 5.214) 7.339 2.657 ( -3.672 3.631 5.214) 7.339 2.935 ( -0.083 -7.623 8.323) 11.287 2.935 ( -0.083 7.623 8.323) 11.287 3.262 ( -1.567 -5.103 -6.718) 8.581 3.262 ( -1.567 5.103 -6.718) 8.581 3.474 ( 5.958 -5.210 -4.167) 8.944 3.474 ( 5.958 5.210 -4.167) 8.944 3.782 ( 1.519 -3.830 2.749) 4.953 3.782 ( 1.519 3.830 2.749) 4.953 4.038 ( -3.594 -1.571 3.410) 5.197 4.038 ( -3.594 1.571 3.410) 5.197 4.394 ( 8.613 -3.817 1.346) 9.517 4.394 ( 8.613 3.817 1.346) 9.517 4.650 ( -2.723 -5.513 -5.245) 8.082 4.650 ( -2.723 5.513 -5.245) 8.082 4.948 ( 10.184 -12.344 -7.022) 17.476 4.948 ( 10.184 12.344 -7.022) 17.476 5.066 ( 7.626 -1.895 1.646) 8.029 5.066 ( 7.626 1.895 1.646) 8.029 5.598 ( 4.714 -4.892 -2.621) 7.282 5.598 ( 4.714 4.892 -2.621) 7.282 5.785 ( -8.425 -2.667 -6.254) 10.826 5.785 ( -8.425 2.667 -6.254) 10.826 6.021 ( 0.565 -0.270 -0.003) 0.626 6.021 ( 0.565 0.270 -0.003) 0.626 6.406 ( -10.959 -2.502 8.597) 14.151 6.406 ( -10.959 2.502 8.597) 14.151 6.681 ( -0.068 -8.619 4.238) 9.604 6.681 ( -0.068 8.619 4.238) 9.604 7.467 ( 0.399 -5.292 3.413) 6.310 7.467 ( 0.399 5.292 3.413) 6.310 7.752 ( -0.233 -3.333 1.494) 3.661 7.752 ( -0.233 3.333 1.494) 3.661 8.871 ( 5.394 -2.051 -0.664) 5.809 8.871 ( 5.394 2.051 -0.664) 5.809 9.871 ( -5.080 -3.711 1.554) 6.480 9.871 ( -5.080 3.711 1.554) 6.480 10.397 ( 5.921 -2.943 -0.147) 6.614 10.397 ( 5.921 2.943 -0.147) 6.614 10.669 ( -3.311 -5.764 -4.416) 7.980 10.669 ( -3.311 5.764 -4.416) 7.980 11.119 ( -2.620 -3.488 1.759) 4.703 11.119 ( -2.620 3.488 1.759) 4.703 11.381 ( -2.764 -1.790 0.270) 3.304 11.381 ( -2.764 1.790 0.270) 3.304 12.579 ( 1.845 -2.962 0.962) 3.620 12.579 ( 1.845 2.962 0.962) 3.620 13.156 ( -5.934 -2.342 -2.321) 6.789 13.156 ( -5.934 2.342 -2.321) 6.789 16.708 ( -2.894 -0.602 -2.241) 3.709 16.708 ( -2.894 0.602 -2.241) 3.709 16.910 ( -0.974 -1.153 1.561) 2.171 16.910 ( -0.974 1.153 1.561) 2.171 23.053 ( -2.046 -2.430 0.106) 3.179 23.053 ( -2.046 2.430 0.106) 3.179 23.242 ( 2.120 -0.722 4.236) 4.792 23.242 ( 2.120 0.722 4.236) 4.792 24.027 ( -2.934 -17.353 -6.195) 18.658 24.027 ( -2.934 17.353 -6.195) 18.658 24.464 ( 9.833 -17.118 -1.885) 19.831 24.464 ( 9.833 17.118 -1.885) 19.831 25.729 ( 3.190 -10.077 0.882) 10.606 25.729 ( 3.190 10.077 0.882) 10.606 26.966 ( -7.004 -7.922 3.852) 11.254 26.966 ( -7.004 7.922 3.852) 11.254 ======================= Grid point 301 (164/172) ======================= q-point: ( 0.25 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 7.292 -7.495 -5.823) 11.969 2.145 ( 7.292 7.495 -5.823) 11.969 2.286 ( 15.810 -5.029 -7.289) 18.121 2.286 ( 15.810 5.029 -7.289) 18.121 2.476 ( 8.205 -8.483 2.067) 11.981 2.476 ( 8.205 8.483 2.067) 11.981 2.684 ( -0.587 -3.535 5.562) 6.616 2.684 ( -0.587 3.535 5.562) 6.616 3.068 ( 2.820 -2.253 6.616) 7.536 3.068 ( 2.820 2.253 6.616) 7.536 3.135 ( -2.816 -4.845 -5.769) 8.042 3.135 ( -2.816 4.845 -5.769) 8.042 3.530 ( 6.478 -2.575 -2.302) 7.341 3.530 ( 6.478 2.575 -2.302) 7.341 3.800 ( -1.218 -4.138 -1.651) 4.619 3.800 ( -1.218 4.138 -1.651) 4.619 4.075 ( 2.307 -2.970 4.162) 5.609 4.075 ( 2.307 2.970 4.162) 5.609 4.480 ( 2.616 -5.179 -3.780) 6.925 4.480 ( 2.616 5.179 -3.780) 6.925 4.615 ( 4.946 -1.916 0.276) 5.312 4.615 ( 4.946 1.916 0.276) 5.312 4.984 ( 7.612 -7.663 -5.673) 12.200 4.984 ( 7.612 7.663 -5.673) 12.200 5.241 ( 6.624 -0.686 1.036) 6.739 5.241 ( 6.624 0.686 1.036) 6.739 5.526 ( -3.210 -5.343 0.742) 6.278 5.526 ( -3.210 5.343 0.742) 6.278 5.776 ( 6.644 -2.482 -0.707) 7.127 5.776 ( 6.644 2.482 -0.707) 7.127 6.026 ( 0.431 -2.918 -0.977) 3.107 6.026 ( 0.431 2.918 -0.977) 3.107 6.327 ( -9.293 -1.768 5.143) 10.768 6.327 ( -9.293 1.768 5.143) 10.768 6.703 ( -3.923 -12.729 3.793) 13.849 6.703 ( -3.923 12.729 3.793) 13.849 7.453 ( -3.076 -6.475 -2.194) 7.497 7.453 ( -3.076 6.475 -2.194) 7.497 7.784 ( -0.468 -3.796 4.533) 5.931 7.784 ( -0.468 3.796 4.533) 5.931 8.962 ( 5.700 -2.214 1.149) 6.222 8.962 ( 5.700 2.214 1.149) 6.222 9.796 ( -6.964 -6.446 1.568) 9.618 9.796 ( -6.964 6.446 1.568) 9.618 10.468 ( 4.326 -2.047 -4.350) 6.467 10.468 ( 4.326 2.047 -4.350) 6.467 10.587 ( -1.408 -6.283 -0.137) 6.441 10.587 ( -1.408 6.283 -0.137) 6.441 11.045 ( -5.358 -1.934 -1.980) 6.031 11.045 ( -5.358 1.934 -1.980) 6.031 11.379 ( -0.103 -0.738 1.787) 1.936 11.379 ( -0.103 0.738 1.787) 1.936 12.624 ( 2.023 -3.289 1.276) 4.067 12.624 ( 2.023 3.289 1.276) 4.067 13.021 ( -6.354 -3.008 -3.694) 7.942 13.021 ( -6.354 3.008 -3.694) 7.942 16.644 ( -2.258 -0.418 -1.382) 2.680 16.644 ( -2.258 0.418 -1.382) 2.680 16.899 ( -2.038 -1.278 0.458) 2.449 16.899 ( -2.038 1.278 0.458) 2.449 23.042 ( -1.058 -2.231 2.620) 3.600 23.042 ( -1.058 2.231 2.620) 3.600 23.332 ( 0.453 -0.877 7.310) 7.376 23.332 ( 0.453 0.877 7.310) 7.376 23.914 ( -1.114 -15.969 -6.977) 17.463 23.914 ( -1.114 15.969 -6.977) 17.463 24.568 ( 9.407 -16.025 -6.633) 19.731 24.568 ( 9.407 16.025 -6.633) 19.731 25.807 ( 4.579 -13.505 2.306) 14.445 25.807 ( 4.579 13.505 2.306) 14.445 26.891 ( -9.004 -11.700 4.221) 15.355 26.891 ( -9.004 11.700 4.221) 15.355 ======================= Grid point 303 (165/172) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 3.617 -10.584 -10.910) 15.625 2.109 ( 3.617 10.584 -10.910) 15.625 2.416 ( 11.294 -1.851 -7.779) 13.838 2.416 ( 11.294 1.851 -7.779) 13.838 2.610 ( 0.887 -6.908 1.616) 7.149 2.610 ( 0.887 6.908 1.616) 7.149 2.737 ( 1.041 -1.754 1.956) 2.826 2.737 ( 1.041 1.754 1.956) 2.826 2.969 ( -2.485 -3.073 -4.585) 6.053 2.969 ( -2.485 3.073 -4.585) 6.053 3.263 ( 4.774 -1.730 9.716) 10.963 3.263 ( 4.774 1.730 9.716) 10.963 3.635 ( 5.015 -6.253 1.768) 8.208 3.635 ( 5.015 6.253 1.768) 8.208 3.744 ( 1.240 -3.109 -2.318) 4.071 3.744 ( 1.240 3.109 -2.318) 4.071 4.162 ( 4.096 -7.362 1.121) 8.499 4.162 ( 4.096 7.362 1.121) 8.499 4.490 ( 3.536 -4.074 -0.799) 5.453 4.490 ( 3.536 4.074 -0.799) 5.453 4.718 ( 4.541 -1.847 2.566) 5.534 4.718 ( 4.541 1.847 2.566) 5.534 5.039 ( 3.366 -4.925 -3.982) 7.172 5.039 ( 3.366 4.925 -3.982) 7.172 5.292 ( 5.349 -9.208 1.040) 10.700 5.292 ( 5.349 9.208 1.040) 10.700 5.612 ( 3.892 -2.049 6.196) 7.599 5.612 ( 3.892 2.049 6.196) 7.599 5.870 ( 4.926 -4.017 0.216) 6.360 5.870 ( 4.926 4.017 0.216) 6.360 6.010 ( -0.039 -6.521 -1.554) 6.704 6.010 ( -0.039 6.521 -1.554) 6.704 6.243 ( -5.990 -2.282 0.721) 6.450 6.243 ( -5.990 2.282 0.721) 6.450 6.646 ( -6.683 -14.805 0.716) 16.259 6.646 ( -6.683 14.805 0.716) 16.259 7.342 ( -4.576 -4.033 -5.067) 7.930 7.342 ( -4.576 4.033 -5.067) 7.930 7.837 ( -0.012 -2.752 4.767) 5.504 7.837 ( -0.012 2.752 4.767) 5.504 9.063 ( 4.549 -3.761 2.062) 6.252 9.063 ( 4.549 3.761 2.062) 6.252 9.695 ( -7.725 -8.298 0.874) 11.371 9.695 ( -7.725 8.298 0.874) 11.371 10.426 ( 0.163 -5.440 -4.863) 7.299 10.426 ( 0.163 5.440 -4.863) 7.299 10.616 ( 0.896 -7.084 1.120) 7.228 10.616 ( 0.896 7.084 1.120) 7.228 10.959 ( -0.802 -2.311 -2.540) 3.526 10.959 ( -0.802 2.311 -2.540) 3.526 11.385 ( -1.760 -1.077 0.899) 2.251 11.385 ( -1.760 1.077 0.899) 2.251 12.666 ( 1.382 -2.306 0.968) 2.857 12.666 ( 1.382 2.306 0.968) 2.857 12.886 ( -4.797 -2.175 -3.750) 6.466 12.886 ( -4.797 2.175 -3.750) 6.466 16.612 ( -0.721 -0.051 -0.011) 0.723 16.612 ( -0.721 0.051 -0.011) 0.723 16.858 ( -2.779 -1.370 -0.835) 3.209 16.858 ( -2.779 1.370 -0.835) 3.209 23.087 ( 0.980 -2.854 4.954) 5.800 23.087 ( 0.980 2.854 4.954) 5.800 23.417 ( -3.634 -2.648 10.187) 11.135 23.417 ( -3.634 2.648 10.187) 11.135 23.843 ( 2.975 -13.402 -6.215) 15.069 23.843 ( 2.975 13.402 -6.215) 15.069 24.584 ( 5.692 -14.664 -10.736) 19.045 24.584 ( 5.692 14.664 -10.736) 19.045 25.927 ( 5.802 -14.442 4.019) 16.074 25.927 ( 5.802 14.442 4.019) 16.074 26.785 ( -9.272 -14.093 1.969) 16.984 26.785 ( -9.272 14.093 1.969) 16.984 ======================= Grid point 305 (166/172) ======================= q-point: ( 0.42 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.147 -7.914 -11.039) 13.943 2.030 ( 3.147 7.914 -11.039) 13.943 2.411 ( -3.104 -7.433 -6.935) 10.629 2.411 ( -3.104 7.433 -6.935) 10.629 2.525 ( -2.075 -1.813 -5.927) 6.536 2.525 ( -2.075 1.813 -5.927) 6.536 2.737 ( -0.961 -3.606 1.916) 4.195 2.737 ( -0.961 3.606 1.916) 4.195 3.022 ( 5.559 -6.837 3.387) 9.440 3.022 ( 5.559 6.837 3.387) 9.440 3.415 ( 2.338 -1.261 4.152) 4.929 3.415 ( 2.338 1.261 4.152) 4.929 3.662 ( 2.133 -6.334 0.421) 6.696 3.662 ( 2.133 6.334 0.421) 6.696 3.852 ( 5.108 -8.054 2.977) 9.991 3.852 ( 5.108 8.054 2.977) 9.991 4.252 ( 5.597 -7.532 3.912) 10.167 4.252 ( 5.597 7.532 3.912) 10.167 4.550 ( 0.849 -4.068 3.235) 5.266 4.550 ( 0.849 4.068 3.235) 5.266 4.813 ( 4.344 -3.432 1.796) 5.821 4.813 ( 4.344 3.432 1.796) 5.821 4.971 ( -3.032 -5.077 -5.386) 7.999 4.971 ( -3.032 5.077 -5.386) 7.999 5.470 ( 12.128 -6.708 1.995) 14.002 5.470 ( 12.128 6.708 1.995) 14.002 5.709 ( -0.455 -0.958 4.701) 4.819 5.709 ( -0.455 0.958 4.701) 4.819 5.881 ( -2.182 -3.803 -1.835) 4.753 5.881 ( -2.182 3.803 -1.835) 4.753 6.039 ( 3.321 -4.864 1.084) 5.989 6.039 ( 3.321 4.864 1.084) 5.989 6.167 ( -2.362 -2.875 -0.592) 3.768 6.167 ( -2.362 2.875 -0.592) 3.768 6.522 ( -7.481 -13.405 -2.688) 15.584 6.522 ( -7.481 13.405 -2.688) 15.584 7.219 ( -3.304 -1.563 -4.302) 5.645 7.219 ( -3.304 1.563 -4.302) 5.645 7.891 ( 0.373 -1.623 3.591) 3.958 7.891 ( 0.373 1.623 3.591) 3.958 9.150 ( 3.750 -4.856 1.639) 6.350 9.150 ( 3.750 4.856 1.639) 6.350 9.586 ( -6.625 -8.005 0.041) 10.391 9.586 ( -6.625 8.005 0.041) 10.391 10.393 ( 0.671 -4.979 -1.620) 5.278 10.393 ( 0.671 4.979 -1.620) 5.278 10.598 ( -1.621 -3.734 -2.414) 4.733 10.598 ( -1.621 3.734 -2.414) 4.733 10.979 ( 4.290 -3.743 0.176) 5.696 10.979 ( 4.290 3.743 0.176) 5.696 11.344 ( -3.800 -2.588 -0.206) 4.602 11.344 ( -3.800 2.588 -0.206) 4.602 12.676 ( -0.815 -0.473 -0.430) 1.036 12.676 ( -0.815 0.473 -0.430) 1.036 12.802 ( -1.115 -0.123 -1.979) 2.274 12.802 ( -1.115 0.123 -1.979) 2.274 16.623 ( 1.114 -0.580 1.317) 1.820 16.623 ( 1.114 0.580 1.317) 1.820 16.796 ( -2.986 -1.335 -1.917) 3.791 16.796 ( -2.986 1.335 -1.917) 3.791 23.185 ( 3.031 -3.673 5.948) 7.619 23.185 ( 3.031 3.673 5.948) 7.619 23.435 ( -7.402 -5.744 7.017) 11.705 23.435 ( -7.402 5.744 7.017) 11.705 23.882 ( 6.730 -9.536 -0.157) 11.673 23.882 ( 6.730 9.536 -0.157) 11.673 24.490 ( 0.743 -12.633 -12.939) 18.099 24.490 ( 0.743 12.633 -12.939) 18.099 26.072 ( 5.356 -12.775 4.957) 14.713 26.072 ( 5.356 12.775 4.957) 14.713 26.660 ( -7.043 -13.281 -0.933) 15.062 26.660 ( -7.043 13.281 -0.933) 15.062 ======================= Grid point 307 (167/172) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -2.476 -2.393 -6.490) 7.347 1.933 ( -2.476 2.393 -6.490) 7.347 2.273 ( -2.507 -1.810 -2.480) 3.964 2.273 ( -2.507 1.810 -2.480) 3.964 2.442 ( -7.105 -1.023 2.307) 7.540 2.442 ( -7.105 1.023 2.307) 7.540 2.779 ( 5.642 -5.108 -1.850) 7.832 2.779 ( 5.642 5.108 -1.850) 7.832 3.126 ( 5.049 -3.770 -1.126) 6.401 3.126 ( 5.049 3.770 -1.126) 6.401 3.441 ( -1.135 -2.033 0.672) 2.424 3.441 ( -1.135 2.033 0.672) 2.424 3.729 ( 1.062 -5.864 3.777) 7.056 3.729 ( 1.062 5.864 3.777) 7.056 3.879 ( -0.440 -5.849 -2.772) 6.488 3.879 ( -0.440 5.849 -2.772) 6.488 4.435 ( 2.173 -3.774 9.516) 10.465 4.435 ( 2.173 3.774 9.516) 10.465 4.555 ( -2.022 -5.156 1.332) 5.696 4.555 ( -2.022 5.156 1.332) 5.696 4.833 ( -4.850 -4.515 -2.340) 7.028 4.833 ( -4.850 4.515 -2.340) 7.028 4.912 ( 6.417 -3.389 -3.511) 8.061 4.912 ( 6.417 3.389 -3.511) 8.061 5.629 ( 2.206 -2.705 -2.015) 4.030 5.630 ( 2.206 2.705 -2.015) 4.030 5.704 ( -1.291 -2.092 2.807) 3.731 5.704 ( -1.291 2.092 2.807) 3.731 5.847 ( 1.162 -4.731 -0.322) 4.882 5.847 ( 1.162 4.731 -0.322) 4.882 6.029 ( -2.241 -1.509 -0.895) 2.846 6.029 ( -2.241 1.509 -0.895) 2.846 6.236 ( 5.356 -5.344 4.043) 8.579 6.236 ( 5.356 5.344 4.043) 8.579 6.366 ( -6.345 -8.097 -3.373) 10.826 6.366 ( -6.345 8.097 -3.373) 10.826 7.152 ( -0.439 -0.460 -1.799) 1.908 7.152 ( -0.439 0.460 -1.799) 1.908 7.928 ( 0.233 -0.395 1.680) 1.742 7.928 ( 0.233 0.395 1.680) 1.742 9.209 ( 1.741 -0.811 0.027) 1.921 9.209 ( 1.741 0.811 0.027) 1.921 9.515 ( -1.694 -1.942 0.493) 2.624 9.515 ( -1.694 1.942 0.493) 2.624 10.400 ( 0.230 -1.716 0.568) 1.822 10.400 ( 0.230 1.716 0.568) 1.822 10.544 ( -0.031 -1.652 -3.009) 3.433 10.544 ( -0.031 1.652 -3.009) 3.433 11.042 ( 1.439 -1.440 0.165) 2.043 11.042 ( 1.439 1.440 0.165) 2.043 11.289 ( -1.924 -0.742 0.519) 2.126 11.289 ( -1.924 0.742 0.519) 2.126 12.651 ( -0.773 -0.774 -0.308) 1.137 12.651 ( -0.773 0.774 -0.308) 1.137 12.789 ( 0.714 -0.533 -0.997) 1.337 12.789 ( 0.714 0.533 -0.997) 1.337 16.673 ( 2.388 -1.055 2.075) 3.335 16.673 ( 2.388 1.055 2.075) 3.335 16.726 ( -2.326 -1.027 -2.409) 3.503 16.726 ( -2.326 1.027 -2.409) 3.503 23.303 ( 1.146 -1.710 5.431) 5.808 23.303 ( 1.146 1.710 5.431) 5.808 23.384 ( -3.197 -2.430 1.858) 4.424 23.384 ( -3.197 2.430 1.858) 4.424 24.011 ( 4.606 -6.010 4.432) 8.774 24.011 ( 4.606 6.010 4.432) 8.774 24.320 ( -2.650 -9.136 -11.426) 14.867 24.320 ( -2.650 9.136 -11.426) 14.867 26.175 ( -0.705 -6.225 3.943) 7.403 26.175 ( -0.705 6.225 3.943) 7.403 26.581 ( 0.982 -6.825 -2.195) 7.237 26.581 ( 0.982 6.825 -2.195) 7.237 ======================= Grid point 309 (168/172) ======================= q-point: (-0.42 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -6.512 -4.502 4.402) 9.058 1.838 ( -6.512 4.502 4.402) 9.058 2.262 ( -6.045 -8.722 6.384) 12.385 2.262 ( -6.045 8.722 6.384) 12.385 2.395 ( -0.672 -2.341 4.059) 4.734 2.395 ( -0.672 2.341 4.059) 4.734 2.847 ( 6.990 -5.102 -3.886) 9.486 2.847 ( 6.990 5.102 -3.886) 9.486 3.130 ( 2.238 -2.123 -8.230) 8.789 3.130 ( 2.238 2.123 -8.230) 8.789 3.432 ( -1.530 -1.362 2.013) 2.872 3.432 ( -1.530 1.362 2.013) 2.872 3.718 ( -4.077 -6.483 -1.967) 7.907 3.718 ( -4.077 6.483 -1.967) 7.907 3.846 ( -2.363 -7.468 1.132) 7.914 3.846 ( -2.363 7.468 1.132) 7.914 4.337 ( -12.525 -6.124 -1.186) 13.992 4.337 ( -12.525 6.124 -1.186) 13.992 4.604 ( -2.653 -4.388 -0.608) 5.164 4.604 ( -2.653 4.388 -0.608) 5.164 4.791 ( 1.479 -1.698 3.208) 3.919 4.791 ( 1.479 1.698 3.208) 3.919 4.956 ( 4.793 -1.426 -4.620) 6.808 4.956 ( 4.793 1.426 -4.620) 6.808 5.481 ( -12.430 -1.584 -1.536) 12.624 5.481 ( -12.430 1.584 -1.536) 12.624 5.770 ( 1.893 -3.454 0.520) 3.973 5.770 ( 1.893 3.454 0.520) 3.973 5.866 ( 1.075 -3.302 -1.151) 3.658 5.866 ( 1.075 3.302 -1.151) 3.658 6.026 ( 1.027 -2.715 1.913) 3.477 6.026 ( 1.027 2.715 1.913) 3.477 6.200 ( -3.816 -6.385 -3.186) 8.092 6.200 ( -3.816 6.385 -3.186) 8.092 6.441 ( 8.654 -10.307 5.107) 14.395 6.441 ( 8.654 10.307 5.107) 14.395 7.164 ( 2.584 -0.142 0.819) 2.715 7.164 ( 2.584 0.142 0.819) 2.715 7.936 ( -0.023 -0.698 -0.536) 0.880 7.936 ( -0.023 0.698 -0.536) 0.880 9.191 ( -1.779 -5.720 -2.099) 6.348 9.191 ( -1.779 5.720 -2.099) 6.348 9.562 ( 5.034 -7.175 1.981) 8.986 9.562 ( 5.034 7.175 1.981) 8.986 10.388 ( -1.585 -4.148 -0.412) 4.459 10.388 ( -1.585 4.148 -0.412) 4.459 10.556 ( 3.323 -2.923 0.438) 4.448 10.556 ( 3.323 2.923 0.438) 4.448 10.999 ( -4.656 -3.421 -1.416) 5.948 10.999 ( -4.656 3.421 -1.416) 5.948 11.319 ( 2.593 -3.963 2.064) 5.166 11.319 ( 2.593 3.963 2.064) 5.166 12.658 ( 0.963 -0.105 1.101) 1.466 12.658 ( 0.963 0.105 1.101) 1.466 12.789 ( 0.917 -2.103 -0.844) 2.445 12.789 ( 0.917 2.103 -0.844) 2.445 16.660 ( -1.649 -0.632 -2.099) 2.743 16.660 ( -1.649 0.632 -2.099) 2.743 16.753 ( 3.556 -1.389 2.062) 4.339 16.753 ( 3.556 1.389 2.062) 4.339 23.265 ( -4.958 -5.142 -0.723) 7.180 23.265 ( -4.958 5.142 -0.723) 7.180 23.472 ( 5.834 -7.310 3.358) 9.937 23.472 ( 5.834 7.310 3.358) 9.937 23.994 ( -5.020 -6.692 -9.006) 12.291 23.994 ( -5.020 6.692 -9.006) 12.291 24.260 ( 0.326 -8.230 6.478) 10.479 24.260 ( 0.326 8.230 6.478) 10.479 26.123 ( -7.949 -10.063 0.434) 12.832 26.123 ( -7.949 10.063 0.434) 12.832 26.661 ( 10.550 -11.954 -1.088) 15.981 26.661 ( 10.550 11.954 -1.088) 15.981 ======================= Grid point 311 (169/172) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -5.674 -7.860 11.810) 15.279 1.846 ( -5.674 7.860 11.810) 15.279 2.198 ( -13.633 -4.291 10.907) 17.979 2.198 ( -13.633 4.291 10.907) 17.979 2.510 ( 3.801 -5.902 6.121) 9.313 2.510 ( 3.801 5.902 6.121) 9.313 2.888 ( 4.764 -3.753 -5.693) 8.318 2.888 ( 4.764 3.753 -5.693) 8.318 3.014 ( -1.694 -6.609 -9.229) 11.477 3.014 ( -1.694 6.609 -9.229) 11.478 3.414 ( -2.533 -0.851 -3.033) 4.042 3.414 ( -2.533 0.851 -3.033) 4.042 3.639 ( -1.012 -6.660 -0.332) 6.745 3.639 ( -1.012 6.660 -0.332) 6.745 3.763 ( -8.910 -5.689 -1.399) 10.664 3.763 ( -8.910 5.689 -1.399) 10.664 4.166 ( -6.792 -8.852 0.238) 11.160 4.166 ( -6.792 8.852 0.238) 11.160 4.499 ( -6.711 -4.481 -1.062) 8.139 4.499 ( -6.711 4.481 -1.062) 8.139 4.799 ( -2.839 -3.616 -4.223) 6.243 4.799 ( -2.839 3.616 -4.223) 6.243 4.976 ( 0.398 -7.560 0.627) 7.596 4.976 ( 0.398 7.560 0.627) 7.596 5.273 ( -12.041 -6.965 1.453) 13.986 5.273 ( -12.041 6.965 1.453) 13.986 5.736 ( -3.122 -2.274 -3.812) 5.427 5.736 ( -3.122 2.274 -3.812) 5.427 5.857 ( -2.861 -5.427 0.991) 6.215 5.857 ( -2.861 5.427 0.991) 6.215 6.031 ( 0.017 -6.366 -2.925) 7.006 6.031 ( 0.017 6.366 -2.925) 7.006 6.208 ( 4.659 -2.766 3.173) 6.279 6.208 ( 4.659 2.766 3.173) 6.279 6.643 ( 11.235 -14.080 1.697) 18.093 6.643 ( 11.235 14.080 1.697) 18.093 7.248 ( 4.844 -0.760 3.227) 5.870 7.248 ( 4.844 0.760 3.227) 5.870 7.918 ( 0.259 -1.641 -2.573) 3.062 7.918 ( 0.259 1.641 -2.573) 3.062 9.123 ( -2.956 -5.590 -3.155) 7.067 9.123 ( -2.956 5.590 -3.155) 7.067 9.683 ( 6.769 -9.742 1.893) 12.013 9.683 ( 6.769 9.742 1.893) 12.013 10.365 ( -1.182 -5.920 0.862) 6.098 10.365 ( -1.182 5.920 0.862) 6.098 10.621 ( 2.652 -4.307 0.559) 5.089 10.621 ( 2.652 4.307 0.559) 5.089 10.923 ( -2.324 -2.570 0.487) 3.499 10.923 ( -2.324 2.570 0.487) 3.499 11.379 ( 1.763 -3.502 1.413) 4.168 11.379 ( 1.763 3.502 1.413) 4.168 12.683 ( 0.357 -1.231 -0.204) 1.298 12.683 ( 0.357 1.231 -0.204) 1.298 12.818 ( 2.989 -2.557 1.893) 4.365 12.818 ( 2.989 2.557 1.893) 4.365 16.624 ( -0.216 -0.194 -1.222) 1.256 16.624 ( -0.216 0.194 -1.222) 1.256 16.832 ( 3.599 -1.444 1.598) 4.194 16.832 ( 3.599 1.444 1.598) 4.194 23.181 ( -2.505 -3.292 -3.213) 5.238 23.181 ( -2.505 3.292 -3.213) 5.238 23.591 ( 5.753 -8.138 0.022) 9.966 23.591 ( 5.753 8.138 0.022) 9.966 23.776 ( -8.689 -6.723 -5.975) 12.506 23.776 ( -8.689 6.723 -5.975) 12.506 24.354 ( -2.635 -10.561 10.013) 14.790 24.354 ( -2.635 10.561 10.013) 14.790 25.983 ( -8.661 -12.588 -1.076) 15.318 25.983 ( -8.661 12.588 -1.076) 15.318 26.837 ( 13.845 -14.283 -2.538) 20.053 26.837 ( 13.845 14.283 -2.538) 20.053 ======================= Grid point 313 (170/172) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -7.880 -8.256 13.312) 17.535 1.901 ( -7.880 8.256 13.312) 17.535 2.123 ( -11.947 -6.319 9.673) 16.621 2.123 ( -11.947 6.319 9.673) 16.621 2.529 ( -8.448 -5.849 -0.514) 10.288 2.529 ( -8.448 5.849 -0.514) 10.288 2.826 ( 1.023 -1.807 -7.805) 8.076 2.826 ( 1.023 1.807 -7.805) 8.076 2.982 ( 2.334 -1.160 1.922) 3.238 2.982 ( 2.334 1.160 1.922) 3.238 3.282 ( -3.721 -2.574 -7.336) 8.619 3.282 ( -3.721 2.574 -7.336) 8.619 3.549 ( -9.522 -9.677 -3.669) 14.063 3.549 ( -9.522 9.677 -3.669) 14.063 3.730 ( 4.682 -6.195 3.913) 8.696 3.730 ( 4.682 6.195 3.913) 8.696 4.115 ( -2.152 -3.598 0.608) 4.236 4.115 ( -2.152 3.598 0.608) 4.236 4.408 ( -5.090 -5.190 2.415) 7.660 4.408 ( -5.090 5.190 2.415) 7.660 4.645 ( -8.783 -2.521 -3.558) 9.806 4.645 ( -8.783 2.521 -3.558) 9.806 4.908 ( -10.124 -6.632 2.036) 12.273 4.908 ( -10.124 6.632 2.036) 12.273 5.203 ( -2.842 -1.513 3.565) 4.804 5.203 ( -2.842 1.513 3.565) 4.804 5.616 ( -4.880 -0.668 -4.339) 6.564 5.616 ( -4.880 0.668 -4.339) 6.564 5.791 ( -2.740 -3.900 -3.159) 5.718 5.791 ( -2.740 3.900 -3.159) 5.718 6.012 ( -0.008 -4.508 -0.092) 4.509 6.012 ( -0.008 4.508 -0.092) 4.509 6.344 ( 6.821 -2.179 3.034) 7.777 6.344 ( 6.821 2.179 3.034) 7.777 6.801 ( 10.415 -15.722 -4.387) 19.362 6.801 ( 10.415 15.722 -4.387) 19.362 7.376 ( 5.331 -2.718 4.037) 7.219 7.376 ( 5.331 2.718 4.037) 7.219 7.888 ( 1.283 -2.556 -4.409) 5.255 7.888 ( 1.283 2.556 -4.409) 5.255 9.020 ( -4.851 -3.109 -3.893) 6.954 9.020 ( -4.852 3.109 -3.893) 6.954 9.802 ( 5.863 -9.110 1.167) 10.896 9.802 ( 5.863 9.110 1.167) 10.896 10.374 ( -1.289 -5.111 3.172) 6.152 10.374 ( -1.289 5.111 3.172) 6.152 10.617 ( -1.009 -7.350 -1.860) 7.649 10.617 ( -1.009 7.350 -1.860) 7.649 10.982 ( 5.852 -0.944 3.622) 6.947 10.982 ( 5.852 0.944 3.622) 6.947 11.397 ( -0.619 -1.538 0.111) 1.661 11.397 ( -0.619 1.538 0.111) 1.661 12.659 ( -1.240 -3.297 -2.000) 4.051 12.659 ( -1.240 3.297 -2.000) 4.051 12.928 ( 5.477 -3.973 4.691) 8.233 12.928 ( 5.477 3.973 4.691) 8.233 16.627 ( 1.236 -0.649 0.219) 1.412 16.627 ( 1.236 0.649 0.219) 1.412 16.896 ( 2.891 -1.293 0.613) 3.226 16.896 ( 2.891 1.293 0.613) 3.226 23.116 ( -0.359 -2.292 -3.906) 4.543 23.116 ( -0.359 2.292 -3.906) 4.543 23.511 ( -5.129 -3.188 -9.421) 11.190 23.511 ( -5.129 3.188 -9.421) 11.190 23.746 ( -0.296 -10.894 8.578) 13.869 23.746 ( -0.296 10.894 8.578) 13.869 24.401 ( -5.272 -12.728 8.251) 16.058 24.401 ( -5.272 12.728 8.251) 16.058 25.845 ( -7.214 -12.781 -1.019) 14.712 25.845 ( -7.214 12.781 -1.019) 14.712 27.007 ( 13.933 -12.428 -5.992) 19.608 27.007 ( 13.933 12.428 -5.992) 19.608 ======================= Grid point 315 (171/172) ======================= q-point: (-0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -11.469 -9.232 11.619) 18.756 1.898 ( -11.469 9.232 11.619) 18.756 2.022 ( -11.821 -8.522 2.522) 14.789 2.022 ( -11.821 8.522 2.522) 14.789 2.332 ( -10.840 -6.773 -1.823) 12.912 2.332 ( -10.840 6.773 -1.823) 12.912 2.762 ( 0.450 -3.985 -4.764) 6.228 2.762 ( 0.450 3.985 -4.764) 6.228 3.039 ( -1.159 -6.096 2.792) 6.805 3.039 ( -1.159 6.096 2.792) 6.805 3.192 ( 2.700 -1.896 -4.590) 5.653 3.192 ( 2.700 1.896 -4.590) 5.653 3.403 ( -6.602 -11.852 1.315) 13.630 3.403 ( -6.602 11.852 1.315) 13.630 3.818 ( 1.222 -5.052 -0.527) 5.224 3.818 ( 1.222 5.052 -0.527) 5.224 4.106 ( 2.699 -0.521 -0.877) 2.885 4.106 ( 2.699 0.521 -0.877) 2.885 4.378 ( -7.742 -2.929 3.572) 9.015 4.378 ( -7.742 2.929 3.572) 9.015 4.530 ( -1.680 -5.066 3.684) 6.485 4.530 ( -1.680 5.066 3.684) 6.485 4.788 ( -10.331 -10.648 6.398) 16.157 4.788 ( -10.331 10.648 6.398) 16.157 5.146 ( -6.152 -5.318 -3.400) 8.814 5.146 ( -6.152 5.318 -3.400) 8.814 5.529 ( -4.398 -2.836 1.924) 5.575 5.529 ( -4.398 2.836 1.924) 5.575 5.751 ( 4.139 -1.810 -2.795) 5.313 5.751 ( 4.139 1.810 -2.795) 5.313 6.015 ( -0.166 -1.967 0.565) 2.053 6.015 ( -0.166 1.967 0.565) 2.053 6.472 ( 5.388 -1.239 2.068) 5.903 6.472 ( 5.388 1.239 2.068) 5.903 6.852 ( 7.470 -14.351 -10.162) 19.106 6.852 ( 7.470 14.351 -10.162) 19.106 7.483 ( 3.458 -4.425 1.454) 5.801 7.483 ( 3.458 4.425 1.454) 5.801 7.845 ( 0.942 -3.865 -6.342) 7.486 7.845 ( 0.942 3.865 -6.342) 7.486 8.892 ( -5.710 -2.360 -2.734) 6.757 8.892 ( -5.710 2.360 -2.734) 6.757 9.887 ( 3.736 -6.970 0.430) 7.920 9.887 ( 3.736 6.970 0.430) 7.920 10.371 ( -3.762 -2.787 2.008) 5.094 10.371 ( -3.762 2.787 2.008) 5.094 10.610 ( 1.909 -6.582 0.943) 6.917 10.610 ( 1.909 6.582 0.943) 6.917 11.126 ( 6.592 -2.082 1.360) 7.046 11.126 ( 6.592 2.082 1.360) 7.046 11.377 ( -1.105 -0.918 0.384) 1.487 11.377 ( -1.105 0.918 0.384) 1.487 12.611 ( -1.570 -3.479 -2.049) 4.332 12.611 ( -1.570 3.479 -2.049) 4.332 13.078 ( 5.853 -5.015 4.888) 9.126 13.078 ( 5.853 5.015 4.888) 9.126 16.665 ( 2.153 -1.012 1.663) 2.903 16.665 ( 2.153 1.012 1.663) 2.903 16.932 ( 1.617 -1.064 -0.559) 2.015 16.932 ( 1.617 1.064 -0.559) 2.015 23.078 ( 0.439 -2.552 -2.530) 3.620 23.078 ( 0.439 2.552 -2.530) 3.620 23.339 ( -5.558 -2.075 -4.685) 7.559 23.339 ( -5.558 2.075 -4.685) 7.559 23.856 ( 0.181 -12.820 9.755) 16.111 23.856 ( 0.181 12.820 9.755) 16.111 24.393 ( -5.130 -15.588 4.295) 16.963 24.393 ( -5.130 15.588 4.295) 16.963 25.741 ( -5.088 -11.331 -0.220) 12.422 25.741 ( -5.088 11.331 -0.220) 12.422 27.111 ( 10.827 -8.352 -9.094) 16.422 27.111 ( 10.827 8.352 -9.094) 16.422 ======================= Grid point 317 (172/172) ======================= q-point: (-0.08 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -9.303 -7.022 -0.242) 11.659 1.808 ( -9.303 7.022 -0.242) 11.659 1.860 ( -9.844 -7.440 2.707) 12.633 1.860 ( -9.844 7.440 2.707) 12.633 2.216 ( -6.462 -8.486 6.790) 12.644 2.216 ( -6.462 8.486 6.790) 12.644 2.730 ( 0.259 -2.861 -3.735) 4.712 2.730 ( 0.259 2.861 -3.735) 4.712 3.010 ( 0.616 -11.411 -4.728) 12.367 3.010 ( 0.616 11.411 -4.728) 12.367 3.230 ( 0.452 -3.519 3.853) 5.238 3.230 ( 0.452 3.519 3.853) 5.238 3.389 ( 0.433 -7.253 4.663) 8.634 3.389 ( 0.433 7.253 4.663) 8.634 3.772 ( -2.927 -3.460 -2.092) 4.991 3.772 ( -2.927 3.460 -2.092) 4.991 4.150 ( 4.733 -0.997 -4.271) 6.453 4.150 ( 4.733 0.997 -4.271) 6.453 4.254 ( -9.005 -5.194 0.947) 10.438 4.254 ( -9.005 5.194 0.947) 10.438 4.647 ( 4.451 -7.422 7.524) 11.468 4.647 ( 4.451 7.422 7.524) 11.468 4.742 ( -6.312 -9.488 5.530) 12.667 4.742 ( -6.312 9.488 5.530) 12.667 5.005 ( -3.434 -3.933 -3.107) 6.076 5.005 ( -3.434 3.933 -3.107) 6.076 5.481 ( -5.367 -2.142 2.797) 6.420 5.481 ( -5.367 2.142 2.797) 6.420 5.868 ( 7.366 -2.513 4.586) 9.033 5.868 ( 7.366 2.513 4.586) 9.033 6.021 ( 0.707 -1.192 0.543) 1.489 6.021 ( 0.707 1.192 0.543) 1.489 6.545 ( 0.468 -2.741 1.268) 3.056 6.545 ( 0.468 2.741 1.268) 3.056 6.807 ( 6.134 -10.524 -14.121) 18.649 6.807 ( 6.134 10.524 -14.121) 18.649 7.489 ( -1.000 -3.797 -4.559) 6.017 7.489 ( -1.000 3.797 -4.559) 6.017 7.775 ( -0.767 -4.363 -3.890) 5.896 7.775 ( -0.767 4.363 -3.890) 5.896 8.804 ( -2.804 -2.149 -0.445) 3.561 8.804 ( -2.804 2.149 -0.445) 3.561 9.929 ( 1.425 -4.491 0.076) 4.712 9.929 ( 1.425 4.491 0.076) 4.712 10.322 ( -3.135 -2.342 0.098) 3.915 10.322 ( -3.135 2.342 0.098) 3.915 10.683 ( 3.026 -5.592 3.598) 7.306 10.683 ( 3.026 5.592 3.598) 7.306 11.160 ( -0.295 -3.691 -3.023) 4.780 11.160 ( -0.295 3.691 -3.023) 4.780 11.413 ( 2.681 -1.862 2.648) 4.203 11.413 ( 2.681 1.862 2.648) 4.203 12.567 ( -1.122 -2.457 -1.565) 3.122 12.567 ( -1.122 2.457 -1.565) 3.122 13.207 ( 3.852 -4.470 3.466) 6.844 13.207 ( 3.852 4.470 3.466) 6.844 16.726 ( 2.170 -1.093 2.546) 3.519 16.726 ( 2.170 1.093 2.546) 3.519 16.933 ( 0.097 -0.824 -1.535) 1.745 16.933 ( 0.097 0.824 -1.535) 1.745 23.071 ( 0.336 -3.586 0.346) 3.618 23.071 ( 0.336 3.586 0.346) 3.618 23.228 ( -3.302 -1.603 -2.826) 4.633 23.228 ( -3.302 1.603 -2.826) 4.633 23.986 ( 1.067 -14.342 10.505) 17.810 23.986 ( 1.067 14.342 10.505) 17.810 24.349 ( -3.358 -17.926 -0.477) 18.244 24.349 ( -3.358 17.926 -0.477) 18.244 25.682 ( -2.781 -7.873 0.558) 8.369 25.682 ( -2.781 7.873 0.558) 8.369 27.128 ( 5.612 -3.929 -9.119) 11.406 27.128 ( 5.612 3.929 -9.119) 11.406 =================== 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 3/36288 10.0 440.203 425.888 435.963 0.000 -21.320 0.000 3/36288 20.0 57.282 55.546 46.475 0.000 -1.433 0.000 3/36288 30.0 20.597 19.018 16.162 0.000 -0.598 0.000 3/36288 40.0 11.146 10.014 8.691 0.000 -0.369 0.000 3/36288 50.0 7.387 6.519 5.749 0.000 -0.265 0.000 3/36288 60.0 5.488 4.780 4.267 0.000 -0.203 0.000 3/36288 70.0 4.371 3.770 3.398 0.000 -0.162 0.000 3/36288 80.0 3.643 3.119 2.832 0.000 -0.133 0.000 3/36288 90.0 3.132 2.666 2.436 0.000 -0.111 0.000 3/36288 100.0 2.754 2.334 2.143 0.000 -0.094 0.000 3/36288 110.0 2.462 2.080 1.917 0.000 -0.081 0.000 3/36288 120.0 2.230 1.880 1.737 0.000 -0.071 0.000 3/36288 130.0 2.041 1.719 1.591 0.000 -0.062 0.000 3/36288 140.0 1.883 1.586 1.469 0.000 -0.055 0.000 3/36288 150.0 1.750 1.475 1.367 0.000 -0.049 0.000 3/36288 160.0 1.637 1.381 1.279 0.000 -0.044 0.000 3/36288 170.0 1.538 1.301 1.203 0.000 -0.040 0.000 3/36288 180.0 1.451 1.232 1.136 0.000 -0.037 0.000 3/36288 190.0 1.375 1.172 1.078 0.000 -0.033 0.000 3/36288 200.0 1.307 1.119 1.026 0.000 -0.031 0.000 3/36288 210.0 1.246 1.072 0.979 0.000 -0.028 0.000 3/36288 220.0 1.191 1.030 0.937 0.000 -0.026 0.000 3/36288 230.0 1.141 0.992 0.899 0.000 -0.024 0.000 3/36288 240.0 1.096 0.958 0.864 0.000 -0.022 0.000 3/36288 250.0 1.054 0.927 0.832 0.000 -0.021 0.000 3/36288 260.0 1.016 0.899 0.803 0.000 -0.020 0.000 3/36288 270.0 0.981 0.873 0.776 0.000 -0.018 0.000 3/36288 280.0 0.948 0.849 0.751 0.000 -0.017 0.000 3/36288 290.0 0.917 0.826 0.728 0.000 -0.016 0.000 3/36288 300.0 0.889 0.805 0.706 0.000 -0.015 0.000 3/36288 310.0 0.862 0.785 0.685 0.000 -0.014 0.000 3/36288 320.0 0.837 0.767 0.666 0.000 -0.014 0.000 3/36288 330.0 0.814 0.749 0.648 0.000 -0.013 0.000 3/36288 340.0 0.791 0.733 0.631 0.000 -0.012 0.000 3/36288 350.0 0.770 0.717 0.615 0.000 -0.012 0.000 3/36288 360.0 0.751 0.702 0.599 0.000 -0.011 0.000 3/36288 370.0 0.732 0.687 0.585 0.000 -0.011 0.000 3/36288 380.0 0.714 0.674 0.571 0.000 -0.010 0.000 3/36288 390.0 0.697 0.660 0.558 0.000 -0.010 0.000 3/36288 400.0 0.681 0.648 0.545 0.000 -0.009 0.000 3/36288 410.0 0.665 0.635 0.533 0.000 -0.009 0.000 3/36288 420.0 0.651 0.624 0.522 0.000 -0.009 0.000 3/36288 430.0 0.637 0.612 0.511 0.000 -0.008 0.000 3/36288 440.0 0.623 0.602 0.500 0.000 -0.008 0.000 3/36288 450.0 0.610 0.591 0.490 0.000 -0.008 0.000 3/36288 460.0 0.598 0.581 0.481 0.000 -0.007 0.000 3/36288 470.0 0.586 0.571 0.471 0.000 -0.007 0.000 3/36288 480.0 0.575 0.561 0.462 0.000 -0.007 0.000 3/36288 490.0 0.564 0.552 0.454 0.000 -0.007 0.000 3/36288 500.0 0.553 0.543 0.446 0.000 -0.007 0.000 3/36288 510.0 0.543 0.535 0.438 0.000 -0.006 0.000 3/36288 520.0 0.533 0.526 0.430 0.000 -0.006 0.000 3/36288 530.0 0.524 0.518 0.422 0.000 -0.006 0.000 3/36288 540.0 0.514 0.510 0.415 0.000 -0.006 0.000 3/36288 550.0 0.506 0.503 0.408 0.000 -0.006 0.000 3/36288 560.0 0.497 0.495 0.401 0.000 -0.006 0.000 3/36288 570.0 0.489 0.488 0.395 0.000 -0.005 0.000 3/36288 580.0 0.481 0.481 0.389 0.000 -0.005 0.000 3/36288 590.0 0.473 0.474 0.382 0.000 -0.005 0.000 3/36288 600.0 0.466 0.467 0.376 0.000 -0.005 0.000 3/36288 610.0 0.458 0.461 0.371 0.000 -0.005 0.000 3/36288 620.0 0.451 0.454 0.365 0.000 -0.005 0.000 3/36288 630.0 0.445 0.448 0.360 0.000 -0.005 0.000 3/36288 640.0 0.438 0.442 0.354 0.000 -0.005 0.000 3/36288 650.0 0.432 0.436 0.349 0.000 -0.004 0.000 3/36288 660.0 0.425 0.430 0.344 0.000 -0.004 0.000 3/36288 670.0 0.419 0.425 0.339 0.000 -0.004 0.000 3/36288 680.0 0.413 0.419 0.335 0.000 -0.004 0.000 3/36288 690.0 0.408 0.414 0.330 0.000 -0.004 0.000 3/36288 700.0 0.402 0.409 0.326 0.000 -0.004 0.000 3/36288 710.0 0.397 0.404 0.321 0.000 -0.004 0.000 3/36288 720.0 0.391 0.399 0.317 0.000 -0.004 0.000 3/36288 730.0 0.386 0.394 0.313 0.000 -0.004 0.000 3/36288 740.0 0.381 0.389 0.309 0.000 -0.004 0.000 3/36288 750.0 0.376 0.385 0.305 0.000 -0.004 0.000 3/36288 760.0 0.371 0.380 0.301 0.000 -0.004 0.000 3/36288 770.0 0.367 0.376 0.298 0.000 -0.004 0.000 3/36288 780.0 0.362 0.371 0.294 0.000 -0.004 0.000 3/36288 790.0 0.358 0.367 0.290 0.000 -0.003 0.000 3/36288 800.0 0.354 0.363 0.287 0.000 -0.003 0.000 3/36288 810.0 0.349 0.359 0.284 0.000 -0.003 0.000 3/36288 820.0 0.345 0.355 0.280 0.000 -0.003 0.000 3/36288 830.0 0.341 0.351 0.277 0.000 -0.003 0.000 3/36288 840.0 0.337 0.347 0.274 0.000 -0.003 0.000 3/36288 850.0 0.333 0.344 0.271 0.000 -0.003 0.000 3/36288 860.0 0.330 0.340 0.268 0.000 -0.003 0.000 3/36288 870.0 0.326 0.336 0.265 0.000 -0.003 0.000 3/36288 880.0 0.322 0.333 0.262 0.000 -0.003 0.000 3/36288 890.0 0.319 0.329 0.259 0.000 -0.003 0.000 3/36288 900.0 0.315 0.326 0.256 0.000 -0.003 0.000 3/36288 910.0 0.312 0.323 0.254 0.000 -0.003 0.000 3/36288 920.0 0.309 0.320 0.251 0.000 -0.003 0.000 3/36288 930.0 0.306 0.316 0.248 0.000 -0.003 0.000 3/36288 940.0 0.302 0.313 0.246 0.000 -0.003 0.000 3/36288 950.0 0.299 0.310 0.243 0.000 -0.003 0.000 3/36288 960.0 0.296 0.307 0.241 0.000 -0.003 0.000 3/36288 970.0 0.293 0.304 0.238 0.000 -0.003 0.000 3/36288 980.0 0.290 0.301 0.236 0.000 -0.003 0.000 3/36288 990.0 0.287 0.299 0.234 0.000 -0.003 0.000 3/36288 1000.0 0.285 0.296 0.231 0.000 -0.003 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m1267.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|