----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): *1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 *9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 *12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 *17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 *33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 *41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 *49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 *57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 *58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 *73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): *1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 > 1 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 > 2 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 > 3 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 > 4 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 > 5 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 > 6 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 > 7 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 > 8 *9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 > 9 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 > 10 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 > 11 *12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 > 12 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 > 13 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 > 14 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 > 15 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 > 16 *17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 > 17 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 > 18 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 > 19 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 > 20 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 > 21 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 > 22 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 > 23 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 > 24 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 > 25 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 > 26 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 > 27 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 > 28 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 > 29 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 > 30 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 > 31 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 > 32 *33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 > 33 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 > 34 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 > 35 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 > 36 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 > 37 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 > 38 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 > 39 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 > 40 *41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 > 41 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 > 42 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 > 43 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 > 44 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 > 45 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 > 46 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 > 47 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 > 48 *49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 > 49 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 > 50 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 > 51 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 > 52 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 > 53 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 > 54 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 > 55 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 > 56 *57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 > 57 *58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 > 58 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 > 59 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 > 60 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 > 61 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 > 62 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 > 63 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 > 64 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 > 65 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 > 66 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 > 67 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 > 68 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 > 69 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 > 70 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 > 71 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 > 72 *73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 > 73 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 > 74 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 > 75 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 > 76 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 > 77 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 > 78 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 > 79 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): *1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 > 1 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 > 2 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 > 3 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 > 4 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 > 5 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 > 6 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 > 7 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 > 8 *9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 > 9 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 > 10 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 > 11 *12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 > 12 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 > 13 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 > 14 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 > 15 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 > 16 *17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 > 17 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 > 18 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 > 19 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 > 20 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 > 21 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 > 22 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 > 23 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 > 24 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 > 25 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 > 26 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 > 27 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 > 28 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 > 29 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 > 30 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 > 31 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 > 32 *33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 > 33 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 > 34 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 > 35 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 > 36 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 > 37 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 > 38 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 > 39 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 > 40 *41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 > 41 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 > 42 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 > 43 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 > 44 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 > 45 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 > 46 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 > 47 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 > 48 *49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 > 49 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 > 50 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 > 51 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 > 52 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 > 53 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 > 54 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 > 55 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 > 56 *57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 > 57 *58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 > 58 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 > 59 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 > 60 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 > 61 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 > 62 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 > 63 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 > 64 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 > 65 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 > 66 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 > 67 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 > 68 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 > 69 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 > 70 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 > 71 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 > 72 *73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 > 73 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 > 74 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 > 75 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 > 76 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 > 77 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 > 78 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 > 79 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8224810 0.0000000 0.0000000 0.0000000 2.7908848 0.0000000 0.0000000 0.0000000 2.8370538 -------------------------- Born effective charges -------------------------- 1 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 2 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 3 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 4 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 5 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 6 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 7 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 8 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 9 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 10 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 11 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 12 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 13 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 14 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 15 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 16 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 17 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 18 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 19 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 20 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 21 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 22 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 23 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 24 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 25 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 26 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 27 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 28 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 29 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 30 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 31 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 32 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 33 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 34 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 35 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 36 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 37 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 38 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 39 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 40 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 41 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 42 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 43 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 44 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 45 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 46 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 47 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 48 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 49 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 50 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 51 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 52 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 53 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 54 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 55 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 56 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 57 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 58 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 59 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 60 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 61 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 62 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 63 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 64 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 65 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 66 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 67 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 68 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 69 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 70 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 71 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 72 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 73 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 74 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 75 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 76 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 77 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 78 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 79 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 80 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.733 Solver_block: 200 / 1200 - Time: 0.601 Solver_block: 300 / 1200 - Time: 0.605 Solver_block: 400 / 1200 - Time: 0.606 Solver_block: 500 / 1200 - Time: 0.606 Solver_block: 600 / 1200 - Time: 0.604 Solver_block: 700 / 1200 - Time: 0.607 Solver_block: 800 / 1200 - Time: 0.612 Solver_block: 900 / 1200 - Time: 0.613 Solver_block: 1000 / 1200 - Time: 0.609 Solver_block: 1100 / 1200 - Time: 0.608 Solver_block: 1200 / 1200 - Time: 0.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.582 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (yx) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:23:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:23:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): 1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): 1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 > 1 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 > 2 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 > 3 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 > 4 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 > 5 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 > 6 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 > 7 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 > 8 9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 > 9 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 > 10 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 > 11 12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 > 12 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 > 13 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 > 14 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 > 15 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 > 16 17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 > 17 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 > 18 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 > 19 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 > 20 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 > 21 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 > 22 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 > 23 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 > 24 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 > 25 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 > 26 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 > 27 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 > 28 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 > 29 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 > 30 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 > 31 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 > 32 33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 > 33 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 > 34 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 > 35 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 > 36 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 > 37 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 > 38 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 > 39 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 > 40 41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 > 41 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 > 42 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 > 43 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 > 44 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 > 45 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 > 46 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 > 47 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 > 48 49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 > 49 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 > 50 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 > 51 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 > 52 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 > 53 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 > 54 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 > 55 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 > 56 57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 > 57 58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 > 58 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 > 59 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 > 60 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 > 61 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 > 62 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 > 63 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 > 64 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 > 65 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 > 66 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 > 67 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 > 68 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 > 69 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 > 70 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 > 71 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 > 72 73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 > 73 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 > 74 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 > 75 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 > 76 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 > 77 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 > 78 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 > 79 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8224810 0.0000000 0.0000000 0.0000000 2.7908848 0.0000000 0.0000000 0.0000000 2.8370538 -------------------------- Born effective charges -------------------------- 1 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 2 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 3 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 4 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 5 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 6 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 7 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 8 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 9 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 10 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 11 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 12 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 13 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 14 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 15 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 16 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 17 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 18 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 19 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 20 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 21 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 22 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 23 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 24 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 25 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 26 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 27 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 28 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 29 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 30 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 31 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 32 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 33 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 34 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 35 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 36 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 37 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 38 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 39 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 40 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 41 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 42 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 43 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 44 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 45 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 46 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 47 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 48 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 49 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 50 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 51 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 52 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 53 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 54 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 55 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 56 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 57 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 58 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 59 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 60 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 61 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 62 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 63 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 64 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 65 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 66 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 67 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 68 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 69 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 70 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 71 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 72 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 73 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 74 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 75 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 76 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 77 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 78 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 79 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 80 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 12, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 58, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:24:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): 1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.902421850000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.865472189999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.157666310000000 Atomic positions (fractional): 1 O 0.62382027124221 0.88011712731104 0.45339633911905 15.999 > 1 2 O 0.12382027124221 0.61988287268896 0.54660366088095 15.999 > 2 3 O 0.87617972875779 0.11988287268896 0.95339633911905 15.999 > 3 4 O 0.37617972875779 0.38011712731104 0.04660366088095 15.999 > 4 5 O 0.37617972875779 0.11988287268896 0.54660366088095 15.999 > 5 6 O 0.87617972875779 0.38011712731104 0.45339633911905 15.999 > 6 7 O 0.12382027124221 0.88011712731104 0.04660366088095 15.999 > 7 8 O 0.62382027124221 0.61988287268896 0.95339633911905 15.999 > 8 9 O 0.23523033712733 0.79138613115618 0.37768726471699 15.999 > 9 10 O 0.73523033712733 0.70861386884382 0.62231273528301 15.999 > 10 11 O 0.26476966287267 0.20861386884382 0.87768726471699 15.999 > 11 12 O 0.23662449102624 0.62612385273362 0.13019149980579 15.999 > 12 13 O 0.76476966287267 0.20861386884382 0.62231273528301 15.999 > 13 14 O 0.26476966287267 0.29138613115618 0.37768726471699 15.999 > 14 15 O 0.73523033712733 0.79138613115618 0.12231273528301 15.999 > 15 16 O 0.23523033712733 0.70861386884382 0.87768726471699 15.999 > 16 17 O 0.19777078313570 0.95168306003238 0.37293452756023 15.999 > 17 18 O 0.69777078313570 0.54831693996762 0.62706547243976 15.999 > 18 19 O 0.30222921686430 0.04831693996762 0.87293452756024 15.999 > 19 20 O 0.80222921686430 0.45168306003238 0.12706547243976 15.999 > 20 21 O 0.80222921686430 0.04831693996762 0.62706547243976 15.999 > 21 22 O 0.30222921686430 0.45168306003238 0.37293452756023 15.999 > 22 23 O 0.69777078313570 0.95168306003238 0.12706547243976 15.999 > 23 24 O 0.19777078313570 0.54831693996762 0.87293452756024 15.999 > 24 25 O 0.23662449102624 0.87387614726638 0.63019149980579 15.999 > 25 26 O 0.73662449102624 0.62612385273362 0.36980850019421 15.999 > 26 27 O 0.26337550897376 0.12612385273362 0.13019149980579 15.999 > 27 28 O 0.76337550897376 0.37387614726638 0.86980850019421 15.999 > 28 29 O 0.76337550897376 0.12612385273362 0.36980850019421 15.999 > 29 30 O 0.26337550897376 0.37387614726638 0.63019149980579 15.999 > 30 31 O 0.73662449102624 0.87387614726638 0.86980850019421 15.999 > 31 32 O 0.76476966287267 0.29138613115618 0.12231273528301 15.999 > 32 33 Na 0.10676373018742 0.67281350621589 0.32680621758314 22.990 > 33 34 Na 0.60676373018742 0.82718649378411 0.67319378241686 22.990 > 34 35 Na 0.39323626981258 0.32718649378411 0.82680621758314 22.990 > 35 36 Na 0.89323626981258 0.17281350621589 0.17319378241686 22.990 > 36 37 Na 0.89323626981258 0.32718649378411 0.67319378241686 22.990 > 37 38 Na 0.39323626981258 0.17281350621589 0.32680621758314 22.990 > 38 39 Na 0.60676373018742 0.67281350621589 0.17319378241686 22.990 > 39 40 Na 0.10676373018742 0.82718649378411 0.82680621758314 22.990 > 40 41 Na 0.10289633465814 0.75067753537956 0.58130556852685 22.990 > 41 42 Na 0.60289633465814 0.74932246462044 0.41869443147315 22.990 > 42 43 Na 0.39710366534186 0.24932246462044 0.08130556852685 22.990 > 43 44 Na 0.89710366534186 0.25067753537956 0.91869443147315 22.990 > 44 45 Na 0.89710366534186 0.24932246462044 0.41869443147315 22.990 > 45 46 Na 0.39710366534186 0.25067753537956 0.58130556852685 22.990 > 46 47 Na 0.60289633465814 0.75067753537956 0.91869443147315 22.990 > 47 48 Na 0.10289633465814 0.74932246462044 0.08130556852685 22.990 > 48 49 Na 0.08683597096319 0.99812369788162 0.16207179839508 22.990 > 49 50 Na 0.58683597096318 0.50187630211838 0.83792820160492 22.990 > 50 51 Na 0.41316402903681 0.00187630211838 0.66207179839508 22.990 > 51 52 Na 0.91316402903682 0.49812369788162 0.33792820160492 22.990 > 52 53 Na 0.91316402903682 0.00187630211838 0.83792820160492 22.990 > 53 54 Na 0.41316402903681 0.49812369788162 0.16207179839508 22.990 > 54 55 Na 0.58683597096318 0.99812369788162 0.33792820160492 22.990 > 55 56 Na 0.08683597096319 0.50187630211838 0.66207179839508 22.990 > 56 57 Na 0.91782237002182 0.86113664725469 0.30170565467286 22.990 > 57 58 Na 0.41228833096463 0.56443985018780 0.44014556430656 22.990 > 58 59 Na 0.58771166903537 0.06443985018780 0.05985443569344 22.990 > 59 60 Na 0.08771166903538 0.43556014981220 0.94014556430656 22.990 > 60 61 Na 0.08771166903538 0.06443985018780 0.44014556430656 22.990 > 61 62 Na 0.58771166903537 0.43556014981220 0.55985443569344 22.990 > 62 63 Na 0.41228833096463 0.93556014981220 0.94014556430656 22.990 > 63 64 Na 0.91228833096463 0.56443985018780 0.05985443569344 22.990 > 64 65 Na 0.91782237002182 0.63886335274531 0.80170565467286 22.990 > 65 66 Na 0.41782237002182 0.86113664725469 0.19829434532714 22.990 > 66 67 Na 0.58217762997818 0.36113664725469 0.30170565467286 22.990 > 67 68 Na 0.08217762997818 0.13886335274531 0.69829434532714 22.990 > 68 69 Na 0.08217762997818 0.36113664725469 0.19829434532714 22.990 > 69 70 Na 0.58217762997818 0.13886335274531 0.80170565467286 22.990 > 70 71 Na 0.41782237002182 0.63886335274531 0.69829434532714 22.990 > 71 72 Na 0.91228833096463 0.93556014981220 0.55985443569344 22.990 > 72 73 Al 0.32307861925044 0.87592877711669 0.46059102803477 26.982 > 73 74 Al 0.82307861925044 0.62407122288331 0.53940897196523 26.982 > 74 75 Al 0.17692138074956 0.12407122288331 0.96059102803477 26.982 > 75 76 Al 0.67692138074956 0.37592877711669 0.03940897196523 26.982 > 76 77 Al 0.67692138074956 0.12407122288331 0.53940897196523 26.982 > 77 78 Al 0.17692138074956 0.37592877711669 0.46059102803477 26.982 > 78 79 Al 0.82307861925044 0.87592877711669 0.03940897196523 26.982 > 79 80 Al 0.32307861925044 0.62407122288331 0.96059102803477 26.982 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8224810 0.0000000 0.0000000 0.0000000 2.7908848 0.0000000 0.0000000 0.0000000 2.8370538 -------------------------- Born effective charges -------------------------- 1 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 2 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 3 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 4 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 5 O -2.1812793 -0.0463352 0.0372663 -0.0402386 -1.4911145 0.0192713 0.0306472 -0.0165145 -1.5146809 6 O -2.1812793 0.0463352 -0.0372663 0.0402386 -1.4911145 0.0192713 -0.0306472 -0.0165145 -1.5146809 7 O -2.1812793 -0.0463352 -0.0372663 -0.0402386 -1.4911145 -0.0192713 -0.0306472 0.0165145 -1.5146809 8 O -2.1812793 0.0463352 0.0372663 0.0402386 -1.4911145 -0.0192713 0.0306472 0.0165145 -1.5146809 9 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 10 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 11 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 12 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 13 O -1.5681745 -0.1937542 -0.0945520 -0.1711079 -1.9799413 -0.2161191 -0.1037451 -0.2571278 -1.6806821 14 O -1.5681745 0.1937542 0.0945520 0.1711079 -1.9799413 -0.2161191 0.1037451 -0.2571278 -1.6806821 15 O -1.5681745 -0.1937542 0.0945520 -0.1711079 -1.9799413 0.2161191 0.1037451 0.2571278 -1.6806821 16 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 17 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 18 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 19 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 20 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 21 O -1.6478513 0.1806664 -0.1263603 0.1985926 -1.8709039 0.2315740 -0.1339853 0.1951796 -1.6934264 22 O -1.6478513 -0.1806664 0.1263603 -0.1985926 -1.8709039 0.2315740 0.1339853 0.1951796 -1.6934264 23 O -1.6478513 0.1806664 0.1263603 0.1985926 -1.8709039 -0.2315740 0.1339853 -0.1951796 -1.6934264 24 O -1.6478513 -0.1806664 -0.1263603 -0.1985926 -1.8709039 -0.2315740 -0.1339853 -0.1951796 -1.6934264 25 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 26 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 27 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 28 O -1.5457048 0.0129334 0.1869567 0.0023286 -1.5260737 -0.0075483 0.1970296 -0.0371410 -2.1889624 29 O -1.5457048 -0.0129334 0.1869567 -0.0023286 -1.5260737 0.0075483 0.1970296 0.0371410 -2.1889624 30 O -1.5457048 0.0129334 -0.1869567 0.0023286 -1.5260737 0.0075483 -0.1970296 0.0371410 -2.1889624 31 O -1.5457048 -0.0129334 -0.1869567 -0.0023286 -1.5260737 -0.0075483 -0.1970296 -0.0371410 -2.1889624 32 O -1.5681745 0.1937542 -0.0945520 0.1711079 -1.9799413 0.2161191 -0.1037451 0.2571278 -1.6806821 33 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 34 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 35 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 36 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 37 Na 0.9545922 0.0236326 -0.0555118 0.0269911 0.9646422 -0.0415560 -0.0398897 -0.0069965 1.0411919 38 Na 0.9545922 -0.0236326 0.0555118 -0.0269911 0.9646422 -0.0415560 0.0398897 -0.0069965 1.0411919 39 Na 0.9545922 0.0236326 0.0555118 0.0269911 0.9646422 0.0415560 0.0398897 0.0069965 1.0411919 40 Na 0.9545922 -0.0236326 -0.0555118 -0.0269911 0.9646422 0.0415560 -0.0398897 0.0069965 1.0411919 41 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 42 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 43 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 44 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 45 Na 0.9461918 0.0881211 0.0070893 0.0745671 1.0377598 -0.0744731 -0.0008879 -0.0570624 0.9368043 46 Na 0.9461918 -0.0881211 -0.0070893 -0.0745671 1.0377598 -0.0744731 0.0008879 -0.0570624 0.9368043 47 Na 0.9461918 0.0881211 -0.0070893 0.0745671 1.0377598 0.0744731 0.0008879 0.0570624 0.9368043 48 Na 0.9461918 -0.0881211 0.0070893 -0.0745671 1.0377598 0.0744731 -0.0008879 0.0570624 0.9368043 49 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 50 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 51 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 52 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 53 Na 0.9803498 0.0439625 0.0205539 0.0302100 1.1004797 -0.0730288 0.0095489 -0.0547320 1.0481367 54 Na 0.9803498 -0.0439625 -0.0205539 -0.0302100 1.1004797 -0.0730288 -0.0095489 -0.0547320 1.0481367 55 Na 0.9803498 0.0439625 -0.0205539 0.0302100 1.1004797 0.0730288 -0.0095489 0.0547320 1.0481367 56 Na 0.9803498 -0.0439625 0.0205539 -0.0302100 1.1004797 0.0730288 0.0095489 0.0547320 1.0481367 57 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 58 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 59 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 60 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 61 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 62 Na 1.0090311 0.0296898 0.0532050 0.0294570 0.9461862 0.0070363 0.0549685 0.0085548 0.9286892 63 Na 1.0090311 -0.0296898 0.0532050 -0.0294570 0.9461862 -0.0070363 0.0549685 -0.0085548 0.9286892 64 Na 1.0090311 0.0296898 -0.0532050 0.0294570 0.9461862 -0.0070363 -0.0549685 -0.0085548 0.9286892 65 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 66 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 67 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 68 Na 1.0319215 0.0076743 0.0489709 -0.0023076 0.8258135 -0.0153806 0.0582838 -0.0110527 1.0466190 69 Na 1.0319215 -0.0076743 0.0489709 0.0023076 0.8258135 0.0153806 0.0582838 0.0110527 1.0466190 70 Na 1.0319215 0.0076743 -0.0489709 -0.0023076 0.8258135 0.0153806 -0.0582838 0.0110527 1.0466190 71 Na 1.0319215 -0.0076743 -0.0489709 0.0023076 0.8258135 -0.0153806 -0.0582838 -0.0110527 1.0466190 72 Na 1.0090311 -0.0296898 -0.0532050 -0.0294570 0.9461862 0.0070363 -0.0549685 0.0085548 0.9286892 73 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 74 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 75 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 76 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 77 Al 2.0209235 0.0159717 0.0077448 -0.0170987 1.9931518 -0.0294067 0.0276285 0.0096794 2.0763107 78 Al 2.0209235 -0.0159717 -0.0077448 0.0170987 1.9931518 -0.0294067 -0.0276285 0.0096794 2.0763107 79 Al 2.0209235 0.0159717 -0.0077448 -0.0170987 1.9931518 0.0294067 -0.0276285 -0.0096794 2.0763107 80 Al 2.0209235 -0.0159717 0.0077448 0.0170987 1.9931518 0.0294067 0.0276285 -0.0096794 2.0763107 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xy) 0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 299, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 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 1.713 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.671 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 10.931 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.378 ( 0.000 0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.066 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.283 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 13.573 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 19.068 ( 0.000 0.000 0.000) 0.000 19.108 ( 0.000 0.000 0.000) 0.000 19.135 ( 0.000 0.000 0.000) 0.000 19.135 ( 0.000 0.000 0.000) 0.000 19.164 ( 0.000 0.000 0.000) 0.000 19.280 ( 0.000 0.000 0.000) 0.000 19.311 ( 0.000 0.000 0.000) 0.000 19.462 ( 0.000 0.000 0.000) 0.000 19.468 ( 0.000 0.000 0.000) 0.000 19.748 ( 0.000 0.000 0.000) 0.000 19.765 ( 0.000 0.000 0.000) 0.000 20.037 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 20.306 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.570 ( 0.000 0.000 0.000) 0.000 20.682 ( 0.000 0.000 0.000) 0.000 20.775 ( 0.000 0.000 0.000) 0.000 21.002 ( 0.000 0.000 0.000) 0.000 21.021 ( 0.000 0.000 0.000) 0.000 21.043 ( 0.000 0.000 0.000) 0.000 21.102 ( 0.000 0.000 0.000) 0.000 21.220 ( 0.000 0.000 0.000) 0.000 21.268 ( 0.000 0.000 0.000) 0.000 21.272 ( 0.000 0.000 0.000) 0.000 21.476 ( 0.000 0.000 0.000) 0.000 21.481 ( 0.000 0.000 0.000) 0.000 21.528 ( 0.000 0.000 0.000) 0.000 21.784 ( 0.000 0.000 0.000) 0.000 22.226 ( 0.000 0.000 0.000) 0.000 22.656 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 19.434 0.000 0.000) 19.434 0.504 ( 25.205 0.000 0.000) 25.205 0.840 ( 42.961 0.000 0.000) 42.961 1.789 ( 2.859 0.000 0.000) 2.859 1.880 ( 14.337 0.000 0.000) 14.337 2.035 ( 22.942 0.000 0.000) 22.942 2.070 ( -1.341 0.000 0.000) 1.341 2.234 ( 6.401 0.000 0.000) 6.401 2.386 ( 3.676 0.000 0.000) 3.676 2.505 ( -6.414 0.000 0.000) 6.414 2.538 ( -8.592 0.000 0.000) 8.592 2.586 ( -9.149 0.000 0.000) 9.149 2.609 ( 0.903 0.000 0.000) 0.903 2.960 ( 0.182 0.000 0.000) 0.182 2.965 ( -3.859 0.000 0.000) 3.859 2.969 ( 8.731 0.000 0.000) 8.731 3.037 ( -10.581 0.000 0.000) 10.581 3.040 ( 0.621 0.000 0.000) 0.621 3.147 ( 8.998 0.000 0.000) 8.998 3.163 ( -2.154 0.000 0.000) 2.154 3.266 ( 4.555 0.000 0.000) 4.555 3.295 ( 3.056 0.000 0.000) 3.056 3.303 ( 3.676 0.000 0.000) 3.676 3.320 ( 1.523 0.000 0.000) 1.523 3.434 ( -2.227 0.000 0.000) 2.227 3.459 ( -3.538 0.000 0.000) 3.538 3.506 ( 2.997 0.000 0.000) 2.997 3.591 ( 1.053 0.000 0.000) 1.053 3.682 ( 0.050 0.000 0.000) 0.050 3.746 ( -2.128 0.000 0.000) 2.128 3.877 ( 5.346 0.000 0.000) 5.346 3.907 ( -2.014 0.000 0.000) 2.014 3.958 ( 0.843 0.000 0.000) 0.843 3.961 ( 3.154 0.000 0.000) 3.154 4.067 ( 0.061 0.000 0.000) 0.061 4.069 ( 3.232 0.000 0.000) 3.232 4.080 ( -3.722 0.000 0.000) 3.722 4.106 ( -4.666 0.000 0.000) 4.666 4.117 ( 4.380 0.000 0.000) 4.380 4.172 ( 6.889 0.000 0.000) 6.889 4.215 ( 6.404 0.000 0.000) 6.404 4.220 ( 8.565 0.000 0.000) 8.565 4.260 ( 0.682 0.000 0.000) 0.682 4.284 ( 2.098 0.000 0.000) 2.098 4.303 ( -5.079 0.000 0.000) 5.079 4.328 ( 0.909 0.000 0.000) 0.909 4.478 ( 6.178 0.000 0.000) 6.178 4.533 ( 2.739 0.000 0.000) 2.739 4.555 ( 8.150 0.000 0.000) 8.150 4.594 ( -3.334 0.000 0.000) 3.334 4.597 ( -4.142 0.000 0.000) 4.142 4.748 ( -0.160 0.000 0.000) 0.160 4.791 ( -2.563 0.000 0.000) 2.563 4.830 ( -0.153 0.000 0.000) 0.153 4.845 ( 3.461 0.000 0.000) 3.461 4.896 ( -1.972 0.000 0.000) 1.972 4.899 ( -4.476 0.000 0.000) 4.476 4.903 ( -0.199 0.000 0.000) 0.199 5.019 ( -3.156 0.000 0.000) 3.156 5.042 ( -6.624 0.000 0.000) 6.624 5.139 ( 7.399 0.000 0.000) 7.399 5.184 ( -0.234 0.000 0.000) 0.234 5.211 ( -3.977 0.000 0.000) 3.977 5.256 ( -2.746 0.000 0.000) 2.746 5.285 ( 3.376 0.000 0.000) 3.376 5.295 ( 1.739 0.000 0.000) 1.739 5.342 ( -3.170 0.000 0.000) 3.170 5.439 ( 1.288 0.000 0.000) 1.288 5.517 ( 6.782 0.000 0.000) 6.782 5.554 ( -7.131 0.000 0.000) 7.131 5.558 ( -4.213 0.000 0.000) 4.213 5.607 ( 2.699 0.000 0.000) 2.699 5.608 ( 0.679 0.000 0.000) 0.679 5.642 ( 0.894 0.000 0.000) 0.894 5.657 ( 4.563 0.000 0.000) 4.563 5.670 ( -0.764 0.000 0.000) 0.764 5.811 ( 3.975 0.000 0.000) 3.975 5.820 ( -4.857 0.000 0.000) 4.857 5.886 ( 2.245 0.000 0.000) 2.245 5.898 ( -2.252 0.000 0.000) 2.252 5.913 ( -2.686 0.000 0.000) 2.686 6.021 ( -9.229 0.000 0.000) 9.229 6.074 ( -10.512 0.000 0.000) 10.512 6.076 ( 0.006 0.000 0.000) 0.006 6.126 ( 0.129 0.000 0.000) 0.129 6.168 ( 2.479 0.000 0.000) 2.479 6.173 ( 6.427 0.000 0.000) 6.427 6.179 ( 2.065 0.000 0.000) 2.065 6.300 ( -4.301 0.000 0.000) 4.301 6.334 ( -3.819 0.000 0.000) 3.819 6.362 ( 0.890 0.000 0.000) 0.890 6.381 ( -1.111 0.000 0.000) 1.111 6.398 ( -4.222 0.000 0.000) 4.222 6.423 ( 1.810 0.000 0.000) 1.810 6.477 ( 3.325 0.000 0.000) 3.325 6.481 ( 4.287 0.000 0.000) 4.287 6.550 ( -6.312 0.000 0.000) 6.312 6.556 ( 1.261 0.000 0.000) 1.261 6.625 ( -4.271 0.000 0.000) 4.271 6.634 ( -3.086 0.000 0.000) 3.086 6.663 ( -4.218 0.000 0.000) 4.218 6.705 ( -0.373 0.000 0.000) 0.373 6.729 ( -1.914 0.000 0.000) 1.914 6.736 ( -0.364 0.000 0.000) 0.364 6.744 ( -4.872 0.000 0.000) 4.872 6.797 ( -1.242 0.000 0.000) 1.242 6.818 ( -2.110 0.000 0.000) 2.110 6.851 ( -3.016 0.000 0.000) 3.016 6.866 ( 0.295 0.000 0.000) 0.295 6.971 ( 1.062 0.000 0.000) 1.062 6.978 ( 3.346 0.000 0.000) 3.346 6.993 ( -1.983 0.000 0.000) 1.983 7.037 ( 1.370 0.000 0.000) 1.370 7.061 ( 1.658 0.000 0.000) 1.658 7.098 ( 1.839 0.000 0.000) 1.839 7.172 ( -2.650 0.000 0.000) 2.650 7.267 ( 3.268 0.000 0.000) 3.268 7.281 ( 2.454 0.000 0.000) 2.454 7.298 ( 1.082 0.000 0.000) 1.082 7.318 ( 4.381 0.000 0.000) 4.381 7.359 ( -0.406 0.000 0.000) 0.406 7.384 ( -3.416 0.000 0.000) 3.416 7.408 ( -4.399 0.000 0.000) 4.399 7.425 ( -8.812 0.000 0.000) 8.812 7.525 ( -4.657 0.000 0.000) 4.657 7.565 ( -4.551 0.000 0.000) 4.551 7.566 ( -3.439 0.000 0.000) 3.439 7.632 ( -2.357 0.000 0.000) 2.357 7.650 ( -5.169 0.000 0.000) 5.169 7.691 ( -3.074 0.000 0.000) 3.074 7.715 ( 1.830 0.000 0.000) 1.830 7.731 ( 2.155 0.000 0.000) 2.155 7.812 ( -2.037 0.000 0.000) 2.037 7.821 ( -2.804 0.000 0.000) 2.804 7.850 ( 0.610 0.000 0.000) 0.610 7.856 ( -0.908 0.000 0.000) 0.908 7.951 ( 2.491 0.000 0.000) 2.491 7.995 ( 5.335 0.000 0.000) 5.335 8.000 ( 6.024 0.000 0.000) 6.024 8.050 ( 2.375 0.000 0.000) 2.375 8.067 ( 6.556 0.000 0.000) 6.556 8.110 ( 11.618 0.000 0.000) 11.618 8.145 ( 3.242 0.000 0.000) 3.242 8.161 ( 6.012 0.000 0.000) 6.012 8.307 ( 5.449 0.000 0.000) 5.449 8.428 ( 3.448 0.000 0.000) 3.448 8.436 ( -2.236 0.000 0.000) 2.236 8.497 ( 1.772 0.000 0.000) 1.772 8.587 ( 5.107 0.000 0.000) 5.107 8.664 ( 5.232 0.000 0.000) 5.232 8.721 ( -7.020 0.000 0.000) 7.020 8.781 ( -4.656 0.000 0.000) 4.656 8.825 ( 5.640 0.000 0.000) 5.640 8.886 ( -6.129 0.000 0.000) 6.129 8.926 ( -6.072 0.000 0.000) 6.072 8.933 ( -1.179 0.000 0.000) 1.179 9.006 ( -0.913 0.000 0.000) 0.913 9.050 ( -2.739 0.000 0.000) 2.739 9.054 ( 0.833 0.000 0.000) 0.833 9.058 ( 0.512 0.000 0.000) 0.512 9.107 ( -1.217 0.000 0.000) 1.217 9.365 ( 2.902 0.000 0.000) 2.902 9.404 ( 1.329 0.000 0.000) 1.329 9.479 ( -2.196 0.000 0.000) 2.196 9.589 ( 3.620 0.000 0.000) 3.620 9.616 ( 0.546 0.000 0.000) 0.546 9.620 ( 1.126 0.000 0.000) 1.126 9.642 ( 0.520 0.000 0.000) 0.520 9.677 ( 2.083 0.000 0.000) 2.083 9.811 ( 2.609 0.000 0.000) 2.609 9.820 ( 7.143 0.000 0.000) 7.143 9.822 ( 1.196 0.000 0.000) 1.196 9.851 ( 2.745 0.000 0.000) 2.745 10.239 ( 1.537 0.000 0.000) 1.537 10.373 ( -2.880 0.000 0.000) 2.880 10.445 ( -3.770 0.000 0.000) 3.770 10.453 ( 0.797 0.000 0.000) 0.797 10.616 ( -3.165 0.000 0.000) 3.165 10.656 ( -2.050 0.000 0.000) 2.050 10.750 ( 1.636 0.000 0.000) 1.636 10.784 ( -1.228 0.000 0.000) 1.228 10.926 ( -1.571 0.000 0.000) 1.571 10.932 ( -0.614 0.000 0.000) 0.614 11.141 ( -13.276 0.000 0.000) 13.276 11.916 ( 0.579 0.000 0.000) 0.579 11.952 ( -1.185 0.000 0.000) 1.185 12.356 ( -3.036 0.000 0.000) 3.036 12.363 ( -8.375 0.000 0.000) 8.375 12.447 ( -0.623 0.000 0.000) 0.623 12.507 ( 1.832 0.000 0.000) 1.832 12.611 ( 0.838 0.000 0.000) 0.838 12.711 ( 1.349 0.000 0.000) 1.349 12.722 ( -5.183 0.000 0.000) 5.183 12.809 ( 0.067 0.000 0.000) 0.067 13.032 ( 1.315 0.000 0.000) 1.315 13.037 ( -1.170 0.000 0.000) 1.170 13.107 ( 0.829 0.000 0.000) 0.829 13.126 ( -6.502 0.000 0.000) 6.502 13.153 ( -6.214 0.000 0.000) 6.214 13.240 ( 0.789 0.000 0.000) 0.789 13.277 ( -0.200 0.000 0.000) 0.200 13.280 ( -2.459 0.000 0.000) 2.459 13.357 ( 3.747 0.000 0.000) 3.747 13.370 ( 0.066 0.000 0.000) 0.066 13.463 ( -2.703 0.000 0.000) 2.703 13.514 ( -4.651 0.000 0.000) 4.651 13.624 ( -1.514 0.000 0.000) 1.514 13.683 ( -2.799 0.000 0.000) 2.799 18.896 ( 0.486 0.000 0.000) 0.486 19.067 ( -0.021 0.000 0.000) 0.021 19.133 ( 0.094 0.000 0.000) 0.094 19.140 ( 0.471 0.000 0.000) 0.471 19.140 ( -2.103 0.000 0.000) 2.103 19.183 ( 1.802 0.000 0.000) 1.802 19.265 ( -1.363 0.000 0.000) 1.363 19.302 ( -0.708 0.000 0.000) 0.708 19.468 ( 1.035 0.000 0.000) 1.035 19.499 ( 2.302 0.000 0.000) 2.302 19.769 ( 2.013 0.000 0.000) 2.013 19.797 ( 3.045 0.000 0.000) 3.045 19.988 ( -4.469 0.000 0.000) 4.469 20.075 ( -3.842 0.000 0.000) 3.842 20.287 ( -1.803 0.000 0.000) 1.803 20.553 ( 1.523 0.000 0.000) 1.523 20.590 ( 1.898 0.000 0.000) 1.898 20.714 ( 2.833 0.000 0.000) 2.833 20.804 ( 2.710 0.000 0.000) 2.710 20.901 ( -8.922 0.000 0.000) 8.922 21.076 ( 5.096 0.000 0.000) 5.096 21.112 ( -0.772 0.000 0.000) 0.772 21.180 ( -3.005 0.000 0.000) 3.005 21.276 ( 0.650 0.000 0.000) 0.650 21.277 ( 0.487 0.000 0.000) 0.487 21.492 ( -3.035 0.000 0.000) 3.035 21.496 ( 1.896 0.000 0.000) 1.896 21.503 ( 1.970 0.000 0.000) 1.970 21.756 ( -3.524 0.000 0.000) 3.524 22.155 ( -10.568 0.000 0.000) 10.568 22.193 ( -3.174 0.000 0.000) 3.174 22.898 ( -12.372 0.000 0.000) 12.372 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 16.948 0.000 0.000) 16.948 1.061 ( 26.749 0.000 0.000) 26.749 1.734 ( 37.397 0.000 0.000) 37.397 1.871 ( 4.330 0.000 0.000) 4.330 2.160 ( 8.998 0.000 0.000) 8.998 2.238 ( 17.110 0.000 0.000) 17.110 2.312 ( -11.787 0.000 0.000) 11.787 2.354 ( -7.061 0.000 0.000) 7.061 2.375 ( -3.854 0.000 0.000) 3.854 2.377 ( 5.968 0.000 0.000) 5.968 2.452 ( 1.921 0.000 0.000) 1.921 2.482 ( 11.240 0.000 0.000) 11.240 2.652 ( 3.272 0.000 0.000) 3.272 2.835 ( -7.157 0.000 0.000) 7.157 2.846 ( -3.668 0.000 0.000) 3.668 2.975 ( -1.296 0.000 0.000) 1.296 3.051 ( 1.631 0.000 0.000) 1.631 3.157 ( 5.071 0.000 0.000) 5.071 3.193 ( 3.783 0.000 0.000) 3.783 3.284 ( 5.363 0.000 0.000) 5.363 3.315 ( -1.931 0.000 0.000) 1.931 3.349 ( 7.989 0.000 0.000) 7.989 3.420 ( 3.269 0.000 0.000) 3.269 3.429 ( 6.005 0.000 0.000) 6.005 3.456 ( 1.278 0.000 0.000) 1.278 3.483 ( 11.935 0.000 0.000) 11.935 3.524 ( -0.001 0.000 0.000) 0.001 3.560 ( -0.631 0.000 0.000) 0.631 3.690 ( -3.056 0.000 0.000) 3.056 3.701 ( 0.630 0.000 0.000) 0.630 3.783 ( -8.139 0.000 0.000) 8.139 3.896 ( -5.542 0.000 0.000) 5.542 3.926 ( -4.858 0.000 0.000) 4.858 3.977 ( -9.668 0.000 0.000) 9.668 4.021 ( -1.402 0.000 0.000) 1.402 4.030 ( -4.029 0.000 0.000) 4.029 4.077 ( 1.845 0.000 0.000) 1.845 4.125 ( -0.431 0.000 0.000) 0.431 4.182 ( -3.652 0.000 0.000) 3.652 4.218 ( 14.229 0.000 0.000) 14.229 4.264 ( -4.826 0.000 0.000) 4.826 4.315 ( 5.056 0.000 0.000) 5.056 4.319 ( 4.992 0.000 0.000) 4.992 4.345 ( 0.639 0.000 0.000) 0.639 4.393 ( 10.451 0.000 0.000) 10.451 4.394 ( 7.811 0.000 0.000) 7.811 4.554 ( 1.408 0.000 0.000) 1.408 4.598 ( -3.480 0.000 0.000) 3.480 4.615 ( 1.729 0.000 0.000) 1.729 4.636 ( 8.504 0.000 0.000) 8.504 4.676 ( 8.841 0.000 0.000) 8.841 4.768 ( 0.762 0.000 0.000) 0.762 4.768 ( 1.716 0.000 0.000) 1.716 4.801 ( -3.123 0.000 0.000) 3.123 4.831 ( -8.054 0.000 0.000) 8.054 4.884 ( -0.491 0.000 0.000) 0.491 4.919 ( -5.910 0.000 0.000) 5.910 4.956 ( 6.029 0.000 0.000) 6.029 4.966 ( 10.235 0.000 0.000) 10.235 4.969 ( 4.164 0.000 0.000) 4.164 5.160 ( -5.107 0.000 0.000) 5.107 5.173 ( 0.023 0.000 0.000) 0.023 5.188 ( 0.339 0.000 0.000) 0.339 5.218 ( -8.675 0.000 0.000) 8.675 5.291 ( -1.272 0.000 0.000) 1.272 5.302 ( 7.139 0.000 0.000) 7.139 5.329 ( -3.005 0.000 0.000) 3.005 5.401 ( -8.766 0.000 0.000) 8.766 5.428 ( 3.101 0.000 0.000) 3.101 5.456 ( -0.918 0.000 0.000) 0.918 5.608 ( -3.033 0.000 0.000) 3.033 5.633 ( 2.661 0.000 0.000) 2.661 5.643 ( 0.707 0.000 0.000) 0.707 5.647 ( -1.305 0.000 0.000) 1.305 5.732 ( 1.038 0.000 0.000) 1.038 5.735 ( 6.174 0.000 0.000) 6.174 5.756 ( -0.231 0.000 0.000) 0.231 5.826 ( -6.688 0.000 0.000) 6.688 5.850 ( -2.226 0.000 0.000) 2.226 5.852 ( -4.602 0.000 0.000) 4.602 5.903 ( 2.390 0.000 0.000) 2.390 5.919 ( -1.427 0.000 0.000) 1.427 5.972 ( 4.439 0.000 0.000) 4.439 6.061 ( -1.316 0.000 0.000) 1.316 6.086 ( -7.974 0.000 0.000) 7.974 6.096 ( -3.168 0.000 0.000) 3.168 6.150 ( -7.009 0.000 0.000) 7.009 6.200 ( 1.166 0.000 0.000) 1.166 6.254 ( -7.296 0.000 0.000) 7.296 6.258 ( 0.186 0.000 0.000) 0.186 6.272 ( -10.958 0.000 0.000) 10.958 6.274 ( -6.220 0.000 0.000) 6.220 6.314 ( -2.379 0.000 0.000) 2.379 6.432 ( -0.211 0.000 0.000) 0.211 6.446 ( 7.642 0.000 0.000) 7.642 6.541 ( -3.798 0.000 0.000) 3.798 6.558 ( -3.667 0.000 0.000) 3.667 6.559 ( -0.325 0.000 0.000) 0.325 6.617 ( 0.821 0.000 0.000) 0.821 6.626 ( -0.797 0.000 0.000) 0.797 6.636 ( -1.106 0.000 0.000) 1.106 6.657 ( 2.775 0.000 0.000) 2.775 6.690 ( -5.447 0.000 0.000) 5.447 6.714 ( 0.708 0.000 0.000) 0.708 6.725 ( 0.564 0.000 0.000) 0.564 6.767 ( -0.617 0.000 0.000) 0.617 6.776 ( 3.201 0.000 0.000) 3.201 6.779 ( -2.279 0.000 0.000) 2.279 6.869 ( -0.049 0.000 0.000) 0.049 6.972 ( 1.638 0.000 0.000) 1.638 6.992 ( 1.440 0.000 0.000) 1.440 7.001 ( -1.815 0.000 0.000) 1.815 7.033 ( -4.588 0.000 0.000) 4.588 7.087 ( -4.357 0.000 0.000) 4.357 7.120 ( 1.114 0.000 0.000) 1.114 7.127 ( 4.330 0.000 0.000) 4.330 7.243 ( -6.251 0.000 0.000) 6.251 7.279 ( -6.784 0.000 0.000) 6.784 7.285 ( 1.256 0.000 0.000) 1.256 7.321 ( 1.257 0.000 0.000) 1.257 7.342 ( 1.220 0.000 0.000) 1.220 7.359 ( 5.157 0.000 0.000) 5.157 7.396 ( 1.127 0.000 0.000) 1.127 7.399 ( 2.688 0.000 0.000) 2.688 7.465 ( -2.293 0.000 0.000) 2.293 7.519 ( 0.927 0.000 0.000) 0.927 7.525 ( -0.136 0.000 0.000) 0.136 7.537 ( -5.136 0.000 0.000) 5.136 7.616 ( -3.642 0.000 0.000) 3.642 7.700 ( 2.819 0.000 0.000) 2.819 7.758 ( 1.122 0.000 0.000) 1.122 7.760 ( 0.996 0.000 0.000) 0.996 7.787 ( 1.273 0.000 0.000) 1.273 7.803 ( 2.149 0.000 0.000) 2.149 7.835 ( -2.792 0.000 0.000) 2.792 7.850 ( 3.547 0.000 0.000) 3.547 7.968 ( -1.321 0.000 0.000) 1.321 8.029 ( -0.625 0.000 0.000) 0.625 8.119 ( 3.372 0.000 0.000) 3.372 8.134 ( 2.825 0.000 0.000) 2.825 8.135 ( -0.115 0.000 0.000) 0.115 8.186 ( -0.939 0.000 0.000) 0.939 8.272 ( 4.075 0.000 0.000) 4.075 8.284 ( 3.965 0.000 0.000) 3.965 8.383 ( 3.652 0.000 0.000) 3.652 8.456 ( 3.095 0.000 0.000) 3.095 8.529 ( 0.488 0.000 0.000) 0.488 8.582 ( -5.277 0.000 0.000) 5.277 8.596 ( 9.222 0.000 0.000) 9.222 8.657 ( 1.099 0.000 0.000) 1.099 8.741 ( 2.076 0.000 0.000) 2.076 8.748 ( 2.444 0.000 0.000) 2.444 8.758 ( -8.244 0.000 0.000) 8.244 8.761 ( -4.485 0.000 0.000) 4.485 8.840 ( -5.105 0.000 0.000) 5.105 8.932 ( 1.713 0.000 0.000) 1.713 8.940 ( -5.739 0.000 0.000) 5.739 9.001 ( -4.924 0.000 0.000) 4.924 9.002 ( 0.219 0.000 0.000) 0.219 9.125 ( 4.380 0.000 0.000) 4.380 9.153 ( 4.707 0.000 0.000) 4.707 9.412 ( -0.558 0.000 0.000) 0.558 9.445 ( -0.575 0.000 0.000) 0.575 9.446 ( 4.569 0.000 0.000) 4.569 9.616 ( -1.527 0.000 0.000) 1.527 9.631 ( 0.831 0.000 0.000) 0.831 9.642 ( -0.473 0.000 0.000) 0.473 9.669 ( 3.113 0.000 0.000) 3.113 9.746 ( 3.914 0.000 0.000) 3.914 9.865 ( 2.977 0.000 0.000) 2.977 9.867 ( 2.331 0.000 0.000) 2.331 9.928 ( 2.219 0.000 0.000) 2.219 9.946 ( 6.348 0.000 0.000) 6.348 10.249 ( -3.309 0.000 0.000) 3.309 10.281 ( -5.344 0.000 0.000) 5.344 10.383 ( 0.292 0.000 0.000) 0.292 10.494 ( 2.889 0.000 0.000) 2.889 10.545 ( -3.401 0.000 0.000) 3.401 10.619 ( -1.461 0.000 0.000) 1.461 10.749 ( -1.966 0.000 0.000) 1.966 10.762 ( -0.724 0.000 0.000) 0.724 10.817 ( -14.421 0.000 0.000) 14.421 10.873 ( -3.385 0.000 0.000) 3.385 10.883 ( -3.918 0.000 0.000) 3.918 11.925 ( -1.076 0.000 0.000) 1.076 11.938 ( 1.601 0.000 0.000) 1.601 12.191 ( -7.431 0.000 0.000) 7.431 12.269 ( -4.934 0.000 0.000) 4.934 12.433 ( -0.449 0.000 0.000) 0.449 12.547 ( 1.586 0.000 0.000) 1.586 12.595 ( -2.189 0.000 0.000) 2.189 12.611 ( -4.538 0.000 0.000) 4.538 12.759 ( 3.307 0.000 0.000) 3.307 12.811 ( 0.287 0.000 0.000) 0.287 12.954 ( -6.812 0.000 0.000) 6.812 13.019 ( -5.891 0.000 0.000) 5.891 13.021 ( -2.193 0.000 0.000) 2.193 13.066 ( 1.715 0.000 0.000) 1.715 13.112 ( -0.599 0.000 0.000) 0.599 13.220 ( -2.667 0.000 0.000) 2.667 13.251 ( -2.185 0.000 0.000) 2.185 13.254 ( 0.626 0.000 0.000) 0.626 13.381 ( -4.975 0.000 0.000) 4.975 13.384 ( 1.373 0.000 0.000) 1.373 13.415 ( -4.230 0.000 0.000) 4.230 13.430 ( 3.067 0.000 0.000) 3.067 13.583 ( -2.107 0.000 0.000) 2.107 13.627 ( -2.330 0.000 0.000) 2.330 18.911 ( 0.943 0.000 0.000) 0.943 19.071 ( 0.406 0.000 0.000) 0.406 19.085 ( -2.943 0.000 0.000) 2.943 19.142 ( 0.689 0.000 0.000) 0.689 19.154 ( 0.753 0.000 0.000) 0.753 19.226 ( 2.108 0.000 0.000) 2.108 19.227 ( -2.159 0.000 0.000) 2.159 19.288 ( -0.549 0.000 0.000) 0.549 19.505 ( 2.405 0.000 0.000) 2.405 19.561 ( 3.554 0.000 0.000) 3.554 19.833 ( 3.877 0.000 0.000) 3.877 19.871 ( -5.935 0.000 0.000) 5.935 19.892 ( 5.891 0.000 0.000) 5.891 19.984 ( -4.796 0.000 0.000) 4.796 20.230 ( -3.486 0.000 0.000) 3.486 20.601 ( 2.922 0.000 0.000) 2.922 20.652 ( 3.940 0.000 0.000) 3.940 20.694 ( -10.243 0.000 0.000) 10.243 20.793 ( 4.498 0.000 0.000) 4.498 20.889 ( 5.400 0.000 0.000) 5.400 21.013 ( -6.848 0.000 0.000) 6.848 21.133 ( -0.925 0.000 0.000) 0.925 21.159 ( -0.233 0.000 0.000) 0.233 21.293 ( 1.068 0.000 0.000) 1.068 21.294 ( 1.049 0.000 0.000) 1.049 21.427 ( -2.364 0.000 0.000) 2.364 21.555 ( 3.759 0.000 0.000) 3.759 21.558 ( 3.170 0.000 0.000) 3.170 21.626 ( -8.038 0.000 0.000) 8.038 21.866 ( -15.701 0.000 0.000) 15.701 22.090 ( -6.551 0.000 0.000) 6.551 22.563 ( -18.028 0.000 0.000) 18.028 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 18.555 0.000 0.000) 18.555 1.594 ( 22.090 0.000 0.000) 22.090 1.903 ( -6.161 0.000 0.000) 6.161 2.057 ( -3.219 0.000 0.000) 3.219 2.089 ( -4.973 0.000 0.000) 4.973 2.211 ( -5.323 0.000 0.000) 5.323 2.373 ( 7.818 0.000 0.000) 7.818 2.391 ( 2.179 0.000 0.000) 2.179 2.473 ( 0.344 0.000 0.000) 0.344 2.485 ( 2.089 0.000 0.000) 2.089 2.599 ( 6.336 0.000 0.000) 6.336 2.703 ( 17.624 0.000 0.000) 17.624 2.760 ( 7.350 0.000 0.000) 7.350 2.770 ( 5.594 0.000 0.000) 5.594 2.912 ( 6.972 0.000 0.000) 6.972 2.953 ( 0.041 0.000 0.000) 0.041 3.036 ( -6.578 0.000 0.000) 6.578 3.088 ( 1.777 0.000 0.000) 1.777 3.248 ( -0.622 0.000 0.000) 0.622 3.296 ( -1.346 0.000 0.000) 1.346 3.390 ( -5.861 0.000 0.000) 5.861 3.403 ( -0.804 0.000 0.000) 0.804 3.450 ( -4.302 0.000 0.000) 4.302 3.517 ( 5.414 0.000 0.000) 5.414 3.565 ( 2.934 0.000 0.000) 2.934 3.614 ( 1.594 0.000 0.000) 1.594 3.635 ( -7.757 0.000 0.000) 7.757 3.649 ( 2.305 0.000 0.000) 2.305 3.660 ( 1.555 0.000 0.000) 1.555 3.695 ( 13.151 0.000 0.000) 13.151 3.703 ( 5.302 0.000 0.000) 5.302 3.794 ( 1.178 0.000 0.000) 1.178 3.799 ( -1.615 0.000 0.000) 1.615 3.870 ( 1.048 0.000 0.000) 1.048 3.970 ( -3.100 0.000 0.000) 3.100 4.005 ( 3.607 0.000 0.000) 3.607 4.076 ( -2.286 0.000 0.000) 2.286 4.131 ( 1.411 0.000 0.000) 1.411 4.140 ( -0.150 0.000 0.000) 0.150 4.188 ( -1.065 0.000 0.000) 1.065 4.284 ( -3.296 0.000 0.000) 3.296 4.331 ( -7.022 0.000 0.000) 7.022 4.393 ( 0.760 0.000 0.000) 0.760 4.434 ( 3.389 0.000 0.000) 3.389 4.507 ( 1.698 0.000 0.000) 1.698 4.539 ( 7.030 0.000 0.000) 7.030 4.552 ( -4.671 0.000 0.000) 4.671 4.563 ( -5.186 0.000 0.000) 5.186 4.715 ( -3.043 0.000 0.000) 3.043 4.716 ( 11.367 0.000 0.000) 11.367 4.763 ( -1.080 0.000 0.000) 1.080 4.766 ( -1.499 0.000 0.000) 1.499 4.769 ( 1.023 0.000 0.000) 1.023 4.774 ( -6.438 0.000 0.000) 6.438 4.792 ( -2.258 0.000 0.000) 2.258 4.815 ( 3.450 0.000 0.000) 3.450 4.934 ( 10.640 0.000 0.000) 10.640 4.980 ( -2.596 0.000 0.000) 2.596 5.018 ( 2.473 0.000 0.000) 2.473 5.051 ( -3.787 0.000 0.000) 3.787 5.134 ( 1.958 0.000 0.000) 1.958 5.222 ( 2.737 0.000 0.000) 2.737 5.231 ( 5.003 0.000 0.000) 5.003 5.271 ( 7.126 0.000 0.000) 7.126 5.277 ( 1.949 0.000 0.000) 1.949 5.278 ( -0.445 0.000 0.000) 0.445 5.318 ( 5.985 0.000 0.000) 5.985 5.374 ( 0.719 0.000 0.000) 0.719 5.469 ( -0.014 0.000 0.000) 0.014 5.520 ( 0.171 0.000 0.000) 0.171 5.527 ( -4.323 0.000 0.000) 4.323 5.577 ( -2.420 0.000 0.000) 2.420 5.583 ( -2.645 0.000 0.000) 2.645 5.643 ( -0.299 0.000 0.000) 0.299 5.654 ( -0.194 0.000 0.000) 0.194 5.674 ( -5.543 0.000 0.000) 5.543 5.808 ( -1.667 0.000 0.000) 1.667 5.811 ( -6.803 0.000 0.000) 6.803 5.841 ( -3.635 0.000 0.000) 3.635 5.848 ( 7.068 0.000 0.000) 7.068 5.893 ( -10.208 0.000 0.000) 10.208 5.919 ( 3.075 0.000 0.000) 3.075 5.919 ( 1.636 0.000 0.000) 1.636 5.958 ( -7.632 0.000 0.000) 7.632 6.029 ( -4.695 0.000 0.000) 4.695 6.050 ( -1.988 0.000 0.000) 1.988 6.072 ( 2.844 0.000 0.000) 2.844 6.113 ( 3.461 0.000 0.000) 3.461 6.150 ( -5.391 0.000 0.000) 5.391 6.169 ( -0.576 0.000 0.000) 0.576 6.209 ( -1.822 0.000 0.000) 1.822 6.238 ( -1.578 0.000 0.000) 1.578 6.329 ( 2.419 0.000 0.000) 2.419 6.393 ( -1.681 0.000 0.000) 1.681 6.404 ( -8.832 0.000 0.000) 8.832 6.458 ( -8.898 0.000 0.000) 8.898 6.504 ( -2.004 0.000 0.000) 2.004 6.546 ( 0.894 0.000 0.000) 0.894 6.564 ( 0.832 0.000 0.000) 0.832 6.584 ( -1.447 0.000 0.000) 1.447 6.656 ( 3.282 0.000 0.000) 3.282 6.691 ( 2.010 0.000 0.000) 2.010 6.698 ( 2.028 0.000 0.000) 2.028 6.728 ( 0.542 0.000 0.000) 0.542 6.764 ( -0.359 0.000 0.000) 0.359 6.775 ( 0.844 0.000 0.000) 0.844 6.800 ( 5.587 0.000 0.000) 5.587 6.818 ( -2.222 0.000 0.000) 2.222 6.848 ( -2.327 0.000 0.000) 2.327 6.898 ( -5.936 0.000 0.000) 5.936 6.930 ( -0.737 0.000 0.000) 0.737 7.061 ( 4.983 0.000 0.000) 4.983 7.068 ( 2.420 0.000 0.000) 2.420 7.073 ( 3.519 0.000 0.000) 3.519 7.109 ( -5.102 0.000 0.000) 5.102 7.143 ( -3.179 0.000 0.000) 3.179 7.168 ( 1.754 0.000 0.000) 1.754 7.201 ( 1.556 0.000 0.000) 1.556 7.292 ( -2.057 0.000 0.000) 2.057 7.365 ( 4.965 0.000 0.000) 4.965 7.391 ( -6.171 0.000 0.000) 6.171 7.398 ( 2.091 0.000 0.000) 2.091 7.418 ( -2.006 0.000 0.000) 2.006 7.423 ( 0.264 0.000 0.000) 0.264 7.474 ( 5.135 0.000 0.000) 5.135 7.485 ( 0.848 0.000 0.000) 0.848 7.540 ( 0.414 0.000 0.000) 0.414 7.567 ( 3.802 0.000 0.000) 3.802 7.598 ( 2.196 0.000 0.000) 2.196 7.674 ( -2.361 0.000 0.000) 2.361 7.729 ( -5.861 0.000 0.000) 5.861 7.742 ( -1.784 0.000 0.000) 1.784 7.825 ( 6.800 0.000 0.000) 6.800 7.827 ( 2.398 0.000 0.000) 2.398 7.890 ( -4.928 0.000 0.000) 4.928 7.909 ( 5.470 0.000 0.000) 5.470 7.992 ( -2.676 0.000 0.000) 2.676 8.047 ( 9.721 0.000 0.000) 9.721 8.070 ( -4.176 0.000 0.000) 4.176 8.113 ( -2.447 0.000 0.000) 2.447 8.144 ( -0.859 0.000 0.000) 0.859 8.158 ( -0.448 0.000 0.000) 0.448 8.293 ( -1.672 0.000 0.000) 1.672 8.343 ( 2.898 0.000 0.000) 2.898 8.363 ( -7.239 0.000 0.000) 7.239 8.482 ( -6.579 0.000 0.000) 6.579 8.483 ( -1.326 0.000 0.000) 1.326 8.501 ( -3.888 0.000 0.000) 3.888 8.670 ( 1.884 0.000 0.000) 1.884 8.679 ( 1.371 0.000 0.000) 1.371 8.702 ( -0.802 0.000 0.000) 0.802 8.746 ( 2.593 0.000 0.000) 2.593 8.767 ( -0.044 0.000 0.000) 0.044 8.794 ( -4.077 0.000 0.000) 4.077 8.797 ( 1.243 0.000 0.000) 1.243 8.828 ( 2.496 0.000 0.000) 2.496 8.889 ( -2.661 0.000 0.000) 2.661 8.898 ( -3.153 0.000 0.000) 3.153 9.060 ( 3.366 0.000 0.000) 3.366 9.191 ( 0.465 0.000 0.000) 0.465 9.280 ( 6.988 0.000 0.000) 6.988 9.413 ( 2.061 0.000 0.000) 2.061 9.467 ( 2.138 0.000 0.000) 2.138 9.523 ( -0.455 0.000 0.000) 0.455 9.585 ( 1.429 0.000 0.000) 1.429 9.625 ( -1.034 0.000 0.000) 1.034 9.639 ( -0.380 0.000 0.000) 0.380 9.700 ( -0.285 0.000 0.000) 0.285 9.818 ( 2.564 0.000 0.000) 2.564 9.904 ( 1.247 0.000 0.000) 1.247 9.935 ( -0.558 0.000 0.000) 0.558 9.945 ( 4.418 0.000 0.000) 4.418 10.060 ( -11.729 0.000 0.000) 11.729 10.114 ( 9.089 0.000 0.000) 9.089 10.163 ( -5.632 0.000 0.000) 5.632 10.452 ( -5.238 0.000 0.000) 5.238 10.464 ( 5.528 0.000 0.000) 5.528 10.572 ( 3.686 0.000 0.000) 3.686 10.594 ( -0.943 0.000 0.000) 0.943 10.631 ( -3.288 0.000 0.000) 3.288 10.702 ( -2.449 0.000 0.000) 2.449 10.715 ( -3.631 0.000 0.000) 3.631 10.790 ( -3.998 0.000 0.000) 3.998 10.795 ( -3.519 0.000 0.000) 3.519 11.919 ( 0.680 0.000 0.000) 0.680 11.984 ( 2.770 0.000 0.000) 2.770 12.053 ( -5.509 0.000 0.000) 5.509 12.158 ( -5.217 0.000 0.000) 5.217 12.435 ( 0.747 0.000 0.000) 0.747 12.532 ( -3.333 0.000 0.000) 3.333 12.549 ( -1.220 0.000 0.000) 1.220 12.564 ( -0.068 0.000 0.000) 0.068 12.819 ( 0.087 0.000 0.000) 0.087 12.838 ( -3.529 0.000 0.000) 3.529 12.851 ( 5.310 0.000 0.000) 5.310 12.925 ( -2.463 0.000 0.000) 2.463 12.976 ( -2.323 0.000 0.000) 2.323 13.070 ( -3.462 0.000 0.000) 3.462 13.098 ( 1.395 0.000 0.000) 1.395 13.186 ( -0.367 0.000 0.000) 0.367 13.203 ( -2.039 0.000 0.000) 2.039 13.265 ( -5.379 0.000 0.000) 5.379 13.270 ( 0.935 0.000 0.000) 0.935 13.342 ( -2.694 0.000 0.000) 2.694 13.432 ( 3.135 0.000 0.000) 3.135 13.484 ( 1.983 0.000 0.000) 1.983 13.544 ( -1.518 0.000 0.000) 1.518 13.576 ( -2.742 0.000 0.000) 2.742 18.936 ( 1.427 0.000 0.000) 1.427 19.023 ( -2.724 0.000 0.000) 2.724 19.088 ( 1.314 0.000 0.000) 1.314 19.159 ( 0.796 0.000 0.000) 0.796 19.168 ( 0.499 0.000 0.000) 0.499 19.177 ( -2.485 0.000 0.000) 2.485 19.264 ( 1.322 0.000 0.000) 1.322 19.281 ( -0.077 0.000 0.000) 0.077 19.567 ( 3.364 0.000 0.000) 3.364 19.649 ( 4.673 0.000 0.000) 4.673 19.750 ( -5.356 0.000 0.000) 5.356 19.874 ( -5.501 0.000 0.000) 5.501 19.928 ( 4.984 0.000 0.000) 4.984 20.044 ( 8.399 0.000 0.000) 8.399 20.143 ( -4.660 0.000 0.000) 4.660 20.470 ( -10.877 0.000 0.000) 10.877 20.674 ( 3.878 0.000 0.000) 3.878 20.757 ( 5.929 0.000 0.000) 5.929 20.874 ( -5.895 0.000 0.000) 5.895 20.901 ( 5.628 0.000 0.000) 5.628 21.033 ( 8.214 0.000 0.000) 8.214 21.045 ( -6.323 0.000 0.000) 6.323 21.127 ( -3.182 0.000 0.000) 3.182 21.320 ( 1.477 0.000 0.000) 1.477 21.322 ( 1.658 0.000 0.000) 1.658 21.389 ( -1.908 0.000 0.000) 1.908 21.460 ( -6.599 0.000 0.000) 6.599 21.534 ( -14.679 0.000 0.000) 14.679 21.639 ( 4.657 0.000 0.000) 4.657 21.666 ( 7.017 0.000 0.000) 7.017 21.928 ( -8.239 0.000 0.000) 8.239 22.182 ( -17.086 0.000 0.000) 17.086 ======================= Grid point 4 (5/30) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -18.301 0.000 0.000) 18.301 1.597 ( 18.301 0.000 0.000) 18.301 1.927 ( -9.279 0.000 0.000) 9.279 1.927 ( 9.279 0.000 0.000) 9.279 2.115 ( -3.660 0.000 0.000) 3.660 2.115 ( 3.660 0.000 0.000) 3.660 2.466 ( -1.489 0.000 0.000) 1.489 2.466 ( 1.489 0.000 0.000) 1.489 2.486 ( -2.142 0.000 0.000) 2.142 2.486 ( 2.142 0.000 0.000) 2.142 2.628 ( -8.192 0.000 0.000) 8.192 2.628 ( 8.192 0.000 0.000) 8.192 2.926 ( -5.276 0.000 0.000) 5.276 2.926 ( 5.276 0.000 0.000) 5.276 3.006 ( -6.498 0.000 0.000) 6.498 3.006 ( 6.498 0.000 0.000) 6.498 3.138 ( -4.748 0.000 0.000) 4.748 3.138 ( 4.748 0.000 0.000) 4.748 3.201 ( -5.817 0.000 0.000) 5.817 3.201 ( 5.817 0.000 0.000) 5.817 3.369 ( -14.013 0.000 0.000) 14.013 3.369 ( 14.013 0.000 0.000) 14.013 3.395 ( -0.647 0.000 0.000) 0.647 3.395 ( 0.647 0.000 0.000) 0.647 3.600 ( -1.054 0.000 0.000) 1.054 3.600 ( 1.054 0.000 0.000) 1.054 3.623 ( -2.946 0.000 0.000) 2.946 3.623 ( 2.946 0.000 0.000) 2.946 3.689 ( -1.579 0.000 0.000) 1.579 3.689 ( 1.579 0.000 0.000) 1.579 3.864 ( -1.644 0.000 0.000) 1.644 3.864 ( 1.644 0.000 0.000) 1.644 3.891 ( -2.634 0.000 0.000) 2.634 3.891 ( 2.634 0.000 0.000) 2.634 3.998 ( -6.109 0.000 0.000) 6.109 3.998 ( 6.109 0.000 0.000) 6.109 4.155 ( -1.401 0.000 0.000) 1.401 4.155 ( 1.401 0.000 0.000) 1.401 4.166 ( -1.763 0.000 0.000) 1.763 4.166 ( 1.763 0.000 0.000) 1.763 4.255 ( -12.863 0.000 0.000) 12.863 4.255 ( 12.863 0.000 0.000) 12.863 4.373 ( -9.200 0.000 0.000) 9.200 4.373 ( 9.200 0.000 0.000) 9.200 4.420 ( -0.944 0.000 0.000) 0.944 4.420 ( 0.944 0.000 0.000) 0.944 4.598 ( -2.963 0.000 0.000) 2.963 4.598 ( 2.963 0.000 0.000) 2.963 4.682 ( -1.314 0.000 0.000) 1.314 4.682 ( 1.314 0.000 0.000) 1.314 4.744 ( -1.247 0.000 0.000) 1.247 4.744 ( 1.247 0.000 0.000) 1.247 4.800 ( -0.659 0.000 0.000) 0.659 4.800 ( 0.659 0.000 0.000) 0.659 4.860 ( -6.681 0.000 0.000) 6.681 4.860 ( 6.681 0.000 0.000) 6.681 4.969 ( -5.608 0.000 0.000) 5.608 4.969 ( 5.608 0.000 0.000) 5.608 5.052 ( -2.385 0.000 0.000) 2.385 5.052 ( 2.385 0.000 0.000) 2.385 5.203 ( -3.038 0.000 0.000) 3.038 5.203 ( 3.038 0.000 0.000) 3.038 5.272 ( -0.478 0.000 0.000) 0.478 5.272 ( 0.478 0.000 0.000) 0.478 5.369 ( -0.005 0.000 0.000) 0.005 5.369 ( 0.005 0.000 0.000) 0.005 5.388 ( -0.564 0.000 0.000) 0.564 5.388 ( 0.564 0.000 0.000) 0.564 5.496 ( -2.114 0.000 0.000) 2.114 5.496 ( 2.114 0.000 0.000) 2.114 5.519 ( -3.261 0.000 0.000) 3.261 5.519 ( 3.261 0.000 0.000) 3.261 5.608 ( -0.499 0.000 0.000) 0.499 5.608 ( 0.499 0.000 0.000) 0.499 5.676 ( -8.196 0.000 0.000) 8.196 5.676 ( 8.196 0.000 0.000) 8.196 5.708 ( -4.221 0.000 0.000) 4.221 5.708 ( 4.221 0.000 0.000) 4.221 5.759 ( -1.430 0.000 0.000) 1.430 5.759 ( 1.430 0.000 0.000) 1.430 5.842 ( -1.540 0.000 0.000) 1.540 5.842 ( 1.540 0.000 0.000) 1.540 6.001 ( -3.156 0.000 0.000) 3.156 6.001 ( 3.156 0.000 0.000) 3.156 6.028 ( -3.641 0.000 0.000) 3.641 6.028 ( 3.641 0.000 0.000) 3.641 6.083 ( -0.990 0.000 0.000) 0.990 6.083 ( 0.990 0.000 0.000) 0.990 6.158 ( -1.176 0.000 0.000) 1.176 6.158 ( 1.176 0.000 0.000) 1.176 6.232 ( -6.075 0.000 0.000) 6.075 6.232 ( 6.075 0.000 0.000) 6.075 6.266 ( -7.334 0.000 0.000) 7.334 6.266 ( 7.334 0.000 0.000) 7.334 6.382 ( -1.420 0.000 0.000) 1.420 6.382 ( 1.420 0.000 0.000) 1.420 6.532 ( -2.990 0.000 0.000) 2.990 6.532 ( 2.990 0.000 0.000) 2.990 6.564 ( -0.891 0.000 0.000) 0.891 6.564 ( 0.891 0.000 0.000) 0.891 6.725 ( -1.999 0.000 0.000) 1.999 6.725 ( 1.999 0.000 0.000) 1.999 6.728 ( -1.020 0.000 0.000) 1.020 6.728 ( 1.020 0.000 0.000) 1.020 6.746 ( -2.008 0.000 0.000) 2.008 6.746 ( 2.008 0.000 0.000) 2.008 6.800 ( -2.116 0.000 0.000) 2.116 6.800 ( 2.116 0.000 0.000) 2.116 6.900 ( -8.373 0.000 0.000) 8.373 6.900 ( 8.373 0.000 0.000) 8.373 6.922 ( -3.583 0.000 0.000) 3.583 6.922 ( 3.583 0.000 0.000) 3.583 7.119 ( -0.479 0.000 0.000) 0.479 7.119 ( 0.479 0.000 0.000) 0.479 7.142 ( -0.848 0.000 0.000) 0.848 7.142 ( 0.848 0.000 0.000) 0.848 7.233 ( -3.442 0.000 0.000) 3.442 7.233 ( 3.442 0.000 0.000) 3.442 7.250 ( -5.643 0.000 0.000) 5.643 7.250 ( 5.643 0.000 0.000) 5.643 7.399 ( -0.828 0.000 0.000) 0.828 7.399 ( 0.828 0.000 0.000) 0.828 7.450 ( -4.158 0.000 0.000) 4.158 7.450 ( 4.158 0.000 0.000) 4.158 7.534 ( -6.746 0.000 0.000) 6.746 7.534 ( 6.746 0.000 0.000) 6.746 7.536 ( -0.959 0.000 0.000) 0.959 7.536 ( 0.959 0.000 0.000) 0.959 7.653 ( -1.623 0.000 0.000) 1.623 7.653 ( 1.623 0.000 0.000) 1.623 7.674 ( -5.151 0.000 0.000) 5.151 7.674 ( 5.151 0.000 0.000) 5.151 7.860 ( -0.369 0.000 0.000) 0.369 7.860 ( 0.369 0.000 0.000) 0.369 7.936 ( -0.245 0.000 0.000) 0.245 7.936 ( 0.245 0.000 0.000) 0.245 8.018 ( -5.965 0.000 0.000) 5.965 8.018 ( 5.965 0.000 0.000) 5.965 8.098 ( -1.941 0.000 0.000) 1.941 8.098 ( 1.941 0.000 0.000) 1.941 8.153 ( -3.083 0.000 0.000) 3.083 8.153 ( 3.083 0.000 0.000) 3.083 8.284 ( -7.909 0.000 0.000) 7.909 8.284 ( 7.909 0.000 0.000) 7.909 8.365 ( -7.100 0.000 0.000) 7.100 8.365 ( 7.100 0.000 0.000) 7.100 8.418 ( -3.360 0.000 0.000) 3.360 8.418 ( 3.360 0.000 0.000) 3.360 8.723 ( -2.542 0.000 0.000) 2.542 8.723 ( 2.542 0.000 0.000) 2.542 8.731 ( -2.523 0.000 0.000) 2.523 8.731 ( 2.523 0.000 0.000) 2.523 8.733 ( -2.495 0.000 0.000) 2.495 8.733 ( 2.495 0.000 0.000) 2.495 8.843 ( -2.283 0.000 0.000) 2.283 8.843 ( 2.283 0.000 0.000) 2.283 8.877 ( -0.949 0.000 0.000) 0.949 8.877 ( 0.949 0.000 0.000) 0.949 9.141 ( -3.985 0.000 0.000) 3.985 9.141 ( 3.985 0.000 0.000) 3.985 9.429 ( -6.460 0.000 0.000) 6.460 9.429 ( 6.460 0.000 0.000) 6.460 9.483 ( -2.071 0.000 0.000) 2.071 9.483 ( 2.071 0.000 0.000) 2.071 9.615 ( -0.863 0.000 0.000) 0.863 9.615 ( 0.863 0.000 0.000) 0.863 9.659 ( -3.344 0.000 0.000) 3.344 9.659 ( 3.344 0.000 0.000) 3.344 9.876 ( -4.426 0.000 0.000) 4.426 9.876 ( 4.426 0.000 0.000) 4.426 9.924 ( -0.726 0.000 0.000) 0.726 9.924 ( 0.726 0.000 0.000) 0.726 10.047 ( -5.188 0.000 0.000) 5.188 10.047 ( 5.188 0.000 0.000) 5.188 10.307 ( -8.440 0.000 0.000) 8.440 10.307 ( 8.440 0.000 0.000) 8.440 10.566 ( -2.726 0.000 0.000) 2.726 10.566 ( 2.726 0.000 0.000) 2.726 10.629 ( -3.060 0.000 0.000) 3.060 10.629 ( 3.060 0.000 0.000) 3.060 10.645 ( -3.043 0.000 0.000) 3.043 10.645 ( 3.043 0.000 0.000) 3.043 10.748 ( -0.367 0.000 0.000) 0.367 10.748 ( 0.367 0.000 0.000) 0.367 11.960 ( -3.232 0.000 0.000) 3.232 11.960 ( 3.232 0.000 0.000) 3.232 12.057 ( -4.149 0.000 0.000) 4.149 12.057 ( 4.149 0.000 0.000) 4.149 12.468 ( -2.411 0.000 0.000) 2.411 12.468 ( 2.411 0.000 0.000) 2.411 12.550 ( -0.851 0.000 0.000) 0.851 12.550 ( 0.851 0.000 0.000) 0.851 12.808 ( -0.348 0.000 0.000) 0.348 12.808 ( 0.348 0.000 0.000) 0.348 12.927 ( -1.933 0.000 0.000) 1.933 12.927 ( 1.933 0.000 0.000) 1.933 12.971 ( -5.584 0.000 0.000) 5.584 12.971 ( 5.584 0.000 0.000) 5.584 13.143 ( -3.197 0.000 0.000) 3.197 13.143 ( 3.197 0.000 0.000) 3.197 13.196 ( -1.202 0.000 0.000) 1.202 13.196 ( 1.202 0.000 0.000) 1.202 13.297 ( -1.646 0.000 0.000) 1.646 13.297 ( 1.646 0.000 0.000) 1.646 13.507 ( -3.656 0.000 0.000) 3.656 13.507 ( 3.656 0.000 0.000) 3.656 13.517 ( -1.232 0.000 0.000) 1.232 13.517 ( 1.232 0.000 0.000) 1.232 18.972 ( -2.061 0.000 0.000) 2.061 18.972 ( 2.061 0.000 0.000) 2.061 19.126 ( -2.193 0.000 0.000) 2.193 19.126 ( 2.193 0.000 0.000) 2.193 19.171 ( -0.271 0.000 0.000) 0.271 19.171 ( 0.271 0.000 0.000) 0.271 19.280 ( -0.244 0.000 0.000) 0.244 19.280 ( 0.244 0.000 0.000) 0.244 19.648 ( -4.308 0.000 0.000) 4.308 19.648 ( 4.308 0.000 0.000) 4.308 19.757 ( -5.439 0.000 0.000) 5.439 19.757 ( 5.439 0.000 0.000) 5.439 20.037 ( -5.188 0.000 0.000) 5.188 20.037 ( 5.188 0.000 0.000) 5.188 20.243 ( -10.240 0.000 0.000) 10.240 20.243 ( 10.240 0.000 0.000) 10.240 20.764 ( -4.661 0.000 0.000) 4.661 20.764 ( 4.661 0.000 0.000) 4.661 20.898 ( -7.150 0.000 0.000) 7.150 20.898 ( 7.150 0.000 0.000) 7.150 21.026 ( -5.859 0.000 0.000) 5.859 21.026 ( 5.859 0.000 0.000) 5.859 21.240 ( -11.218 0.000 0.000) 11.218 21.240 ( 11.218 0.000 0.000) 11.218 21.363 ( -2.267 0.000 0.000) 2.267 21.363 ( 2.267 0.000 0.000) 2.267 21.363 ( -2.882 0.000 0.000) 2.882 21.363 ( 2.882 0.000 0.000) 2.882 21.762 ( -6.988 0.000 0.000) 6.988 21.762 ( 6.988 0.000 0.000) 6.988 21.867 ( -12.240 0.000 0.000) 12.240 21.867 ( 12.240 0.000 0.000) 12.240 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 31.763 0.000) 31.763 0.676 ( 0.000 35.564 0.000) 35.564 1.172 ( 0.000 61.621 0.000) 61.621 1.181 ( 0.000 -30.492 0.000) 30.492 1.311 ( 0.000 -31.461 0.000) 31.461 2.228 ( 0.000 22.028 0.000) 22.028 2.275 ( 0.000 -53.372 0.000) 53.372 2.312 ( 0.000 14.174 0.000) 14.174 2.438 ( 0.000 11.371 0.000) 11.371 2.452 ( 0.000 19.857 0.000) 19.857 2.543 ( 0.000 -7.392 0.000) 7.392 2.585 ( 0.000 -1.375 0.000) 1.375 2.597 ( 0.000 -1.161 0.000) 1.161 2.729 ( 0.000 4.407 0.000) 4.407 2.735 ( 0.000 -22.079 0.000) 22.079 2.752 ( 0.000 -7.086 0.000) 7.086 2.784 ( 0.000 -21.295 0.000) 21.295 2.930 ( 0.000 -11.005 0.000) 11.005 3.033 ( 0.000 1.431 0.000) 1.431 3.101 ( 0.000 -5.730 0.000) 5.730 3.264 ( 0.000 2.129 0.000) 2.129 3.290 ( 0.000 -0.287 0.000) 0.287 3.392 ( 0.000 2.818 0.000) 2.818 3.415 ( 0.000 0.309 0.000) 0.309 3.439 ( 0.000 4.260 0.000) 4.260 3.478 ( 0.000 1.351 0.000) 1.351 3.543 ( 0.000 7.179 0.000) 7.179 3.641 ( 0.000 -3.682 0.000) 3.682 3.791 ( 0.000 1.245 0.000) 1.245 3.829 ( 0.000 -4.451 0.000) 4.451 3.878 ( 0.000 2.449 0.000) 2.449 3.900 ( 0.000 0.026 0.000) 0.026 4.005 ( 0.000 -1.182 0.000) 1.182 4.006 ( 0.000 -1.117 0.000) 1.117 4.013 ( 0.000 6.411 0.000) 6.411 4.018 ( 0.000 0.043 0.000) 0.043 4.041 ( 0.000 0.724 0.000) 0.724 4.055 ( 0.000 -5.921 0.000) 5.921 4.192 ( 0.000 3.327 0.000) 3.327 4.226 ( 0.000 5.692 0.000) 5.692 4.230 ( 0.000 7.059 0.000) 7.059 4.242 ( 0.000 10.126 0.000) 10.126 4.297 ( 0.000 2.814 0.000) 2.814 4.300 ( 0.000 5.020 0.000) 5.020 4.359 ( 0.000 12.054 0.000) 12.054 4.412 ( 0.000 0.362 0.000) 0.362 4.440 ( 0.000 6.979 0.000) 6.979 4.440 ( 0.000 -2.436 0.000) 2.436 4.502 ( 0.000 2.435 0.000) 2.435 4.535 ( 0.000 2.563 0.000) 2.563 4.620 ( 0.000 -1.957 0.000) 1.957 4.656 ( 0.000 -8.522 0.000) 8.522 4.813 ( 0.000 0.459 0.000) 0.459 4.823 ( 0.000 -6.616 0.000) 6.616 4.828 ( 0.000 -1.498 0.000) 1.498 4.844 ( 0.000 0.912 0.000) 0.912 4.875 ( 0.000 -10.852 0.000) 10.852 4.876 ( 0.000 -3.639 0.000) 3.639 4.912 ( 0.000 4.077 0.000) 4.077 4.980 ( 0.000 -0.028 0.000) 0.028 5.078 ( 0.000 -2.600 0.000) 2.600 5.151 ( 0.000 -7.928 0.000) 7.928 5.211 ( 0.000 2.516 0.000) 2.516 5.221 ( 0.000 7.364 0.000) 7.364 5.256 ( 0.000 1.601 0.000) 1.601 5.310 ( 0.000 -2.096 0.000) 2.096 5.315 ( 0.000 -0.875 0.000) 0.875 5.380 ( 0.000 1.933 0.000) 1.933 5.427 ( 0.000 -11.710 0.000) 11.710 5.446 ( 0.000 -4.328 0.000) 4.328 5.611 ( 0.000 6.714 0.000) 6.714 5.639 ( 0.000 3.183 0.000) 3.183 5.652 ( 0.000 3.962 0.000) 3.962 5.691 ( 0.000 1.839 0.000) 1.839 5.730 ( 0.000 10.242 0.000) 10.242 5.798 ( 0.000 -3.137 0.000) 3.137 5.845 ( 0.000 -3.270 0.000) 3.270 5.870 ( 0.000 3.362 0.000) 3.362 5.901 ( 0.000 10.839 0.000) 10.839 5.978 ( 0.000 -1.969 0.000) 1.969 5.988 ( 0.000 3.457 0.000) 3.457 6.015 ( 0.000 -10.768 0.000) 10.768 6.065 ( 0.000 -3.056 0.000) 3.056 6.137 ( 0.000 2.669 0.000) 2.669 6.138 ( 0.000 -11.114 0.000) 11.114 6.183 ( 0.000 3.600 0.000) 3.600 6.212 ( 0.000 -1.057 0.000) 1.057 6.254 ( 0.000 -7.728 0.000) 7.728 6.279 ( 0.000 6.210 0.000) 6.210 6.342 ( 0.000 2.442 0.000) 2.442 6.357 ( 0.000 3.617 0.000) 3.617 6.377 ( 0.000 -1.273 0.000) 1.273 6.380 ( 0.000 0.215 0.000) 0.215 6.405 ( 0.000 -2.270 0.000) 2.270 6.435 ( 0.000 -1.982 0.000) 1.982 6.480 ( 0.000 2.409 0.000) 2.409 6.502 ( 0.000 -5.154 0.000) 5.154 6.581 ( 0.000 -8.694 0.000) 8.694 6.641 ( 0.000 -1.623 0.000) 1.623 6.645 ( 0.000 9.528 0.000) 9.528 6.678 ( 0.000 0.483 0.000) 0.483 6.678 ( 0.000 -6.339 0.000) 6.339 6.716 ( 0.000 -0.502 0.000) 0.502 6.783 ( 0.000 -2.033 0.000) 2.033 6.801 ( 0.000 -1.389 0.000) 1.389 6.802 ( 0.000 1.133 0.000) 1.133 6.814 ( 0.000 1.672 0.000) 1.672 6.863 ( 0.000 -6.942 0.000) 6.942 6.867 ( 0.000 1.285 0.000) 1.285 6.883 ( 0.000 1.310 0.000) 1.310 6.953 ( 0.000 -0.594 0.000) 0.594 6.988 ( 0.000 -4.580 0.000) 4.580 7.005 ( 0.000 -0.183 0.000) 0.183 7.015 ( 0.000 -1.987 0.000) 1.987 7.173 ( 0.000 9.199 0.000) 9.199 7.208 ( 0.000 3.720 0.000) 3.720 7.231 ( 0.000 3.455 0.000) 3.455 7.280 ( 0.000 -1.656 0.000) 1.656 7.335 ( 0.000 6.467 0.000) 6.467 7.426 ( 0.000 -2.532 0.000) 2.532 7.433 ( 0.000 8.739 0.000) 8.739 7.468 ( 0.000 8.901 0.000) 8.901 7.515 ( 0.000 -3.770 0.000) 3.770 7.538 ( 0.000 -0.023 0.000) 0.023 7.565 ( 0.000 -6.445 0.000) 6.445 7.575 ( 0.000 -4.246 0.000) 4.246 7.596 ( 0.000 -1.715 0.000) 1.715 7.612 ( 0.000 -2.332 0.000) 2.332 7.664 ( 0.000 0.347 0.000) 0.347 7.708 ( 0.000 -3.721 0.000) 3.721 7.718 ( 0.000 2.238 0.000) 2.238 7.743 ( 0.000 -3.611 0.000) 3.611 7.767 ( 0.000 -5.230 0.000) 5.230 7.808 ( 0.000 -5.578 0.000) 5.578 7.872 ( 0.000 4.784 0.000) 4.784 7.885 ( 0.000 3.712 0.000) 3.712 7.914 ( 0.000 1.414 0.000) 1.414 7.922 ( 0.000 1.103 0.000) 1.103 7.953 ( 0.000 -0.367 0.000) 0.367 7.953 ( 0.000 -0.356 0.000) 0.356 8.040 ( 0.000 0.650 0.000) 0.650 8.067 ( 0.000 8.008 0.000) 8.008 8.117 ( 0.000 -7.353 0.000) 7.353 8.137 ( 0.000 1.849 0.000) 1.849 8.210 ( 0.000 6.690 0.000) 6.690 8.337 ( 0.000 -6.453 0.000) 6.453 8.463 ( 0.000 -1.463 0.000) 1.463 8.484 ( 0.000 -4.119 0.000) 4.119 8.606 ( 0.000 2.565 0.000) 2.565 8.626 ( 0.000 4.239 0.000) 4.239 8.748 ( 0.000 4.909 0.000) 4.909 8.792 ( 0.000 1.070 0.000) 1.070 8.855 ( 0.000 -4.056 0.000) 4.056 8.903 ( 0.000 -6.380 0.000) 6.380 8.931 ( 0.000 5.457 0.000) 5.457 8.995 ( 0.000 -1.484 0.000) 1.484 9.015 ( 0.000 3.651 0.000) 3.651 9.032 ( 0.000 0.358 0.000) 0.358 9.053 ( 0.000 -0.902 0.000) 0.902 9.066 ( 0.000 -1.349 0.000) 1.349 9.133 ( 0.000 5.993 0.000) 5.993 9.246 ( 0.000 13.535 0.000) 13.535 9.333 ( 0.000 -13.908 0.000) 13.908 9.448 ( 0.000 5.910 0.000) 5.910 9.471 ( 0.000 -8.437 0.000) 8.437 9.568 ( 0.000 -6.237 0.000) 6.237 9.632 ( 0.000 2.240 0.000) 2.240 9.660 ( 0.000 0.356 0.000) 0.356 9.677 ( 0.000 1.916 0.000) 1.916 9.724 ( 0.000 -3.092 0.000) 3.092 9.819 ( 0.000 1.015 0.000) 1.015 9.836 ( 0.000 -0.312 0.000) 0.312 9.904 ( 0.000 5.199 0.000) 5.199 10.013 ( 0.000 -5.795 0.000) 5.795 10.297 ( 0.000 6.182 0.000) 6.182 10.408 ( 0.000 -4.523 0.000) 4.523 10.558 ( 0.000 1.654 0.000) 1.654 10.626 ( 0.000 -6.361 0.000) 6.361 10.696 ( 0.000 0.068 0.000) 0.068 10.703 ( 0.000 -0.533 0.000) 0.533 10.843 ( 0.000 3.920 0.000) 3.920 10.913 ( 0.000 -3.009 0.000) 3.009 11.063 ( 0.000 8.338 0.000) 8.338 11.177 ( 0.000 -3.738 0.000) 3.738 12.031 ( 0.000 6.684 0.000) 6.684 12.201 ( 0.000 -10.986 0.000) 10.986 12.378 ( 0.000 0.366 0.000) 0.366 12.397 ( 0.000 -1.400 0.000) 1.400 12.514 ( 0.000 2.519 0.000) 2.519 12.559 ( 0.000 -1.883 0.000) 1.883 12.610 ( 0.000 7.642 0.000) 7.642 12.692 ( 0.000 -1.250 0.000) 1.250 12.778 ( 0.000 -1.097 0.000) 1.097 12.780 ( 0.000 -1.507 0.000) 1.507 13.073 ( 0.000 0.673 0.000) 0.673 13.074 ( 0.000 5.396 0.000) 5.396 13.086 ( 0.000 -0.622 0.000) 0.622 13.189 ( 0.000 -6.304 0.000) 6.304 13.201 ( 0.000 -0.022 0.000) 0.022 13.202 ( 0.000 -0.093 0.000) 0.093 13.230 ( 0.000 0.414 0.000) 0.414 13.244 ( 0.000 -1.017 0.000) 1.017 13.358 ( 0.000 1.976 0.000) 1.976 13.375 ( 0.000 -0.029 0.000) 0.029 13.512 ( 0.000 1.922 0.000) 1.922 13.552 ( 0.000 -1.993 0.000) 1.993 13.649 ( 0.000 0.310 0.000) 0.310 13.653 ( 0.000 -0.047 0.000) 0.047 18.917 ( 0.000 2.827 0.000) 2.827 18.991 ( 0.000 -4.839 0.000) 4.839 19.114 ( 0.000 0.587 0.000) 0.587 19.127 ( 0.000 -0.731 0.000) 0.731 19.213 ( 0.000 4.884 0.000) 4.884 19.259 ( 0.000 0.809 0.000) 0.809 19.274 ( 0.000 -0.658 0.000) 0.658 19.286 ( 0.000 -2.707 0.000) 2.707 19.462 ( 0.000 0.066 0.000) 0.066 19.466 ( 0.000 -0.228 0.000) 0.228 19.753 ( 0.000 0.418 0.000) 0.418 19.761 ( 0.000 -0.369 0.000) 0.369 20.050 ( 0.000 1.291 0.000) 1.291 20.078 ( 0.000 -1.472 0.000) 1.472 20.543 ( 0.000 0.577 0.000) 0.577 20.558 ( 0.000 -0.984 0.000) 0.984 20.710 ( 0.000 2.439 0.000) 2.439 20.755 ( 0.000 -2.012 0.000) 2.012 21.006 ( 0.000 0.447 0.000) 0.447 21.016 ( 0.000 -0.499 0.000) 0.499 21.039 ( 0.000 -0.110 0.000) 0.110 21.039 ( 0.000 -0.109 0.000) 0.109 21.268 ( 0.000 0.031 0.000) 0.031 21.270 ( 0.000 -0.122 0.000) 0.122 21.279 ( 0.000 5.749 0.000) 5.749 21.410 ( 0.000 -7.708 0.000) 7.708 21.477 ( 0.000 0.150 0.000) 0.150 21.480 ( 0.000 -0.097 0.000) 0.097 21.682 ( 0.000 5.199 0.000) 5.199 21.757 ( 0.000 -2.812 0.000) 2.812 22.649 ( 0.000 0.209 0.000) 0.209 22.654 ( 0.000 -0.218 0.000) 0.218 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 16.783 25.278 0.000) 30.342 0.844 ( 15.219 31.614 0.000) 35.087 1.311 ( 11.160 -28.396 0.000) 30.511 1.402 ( 20.026 47.087 0.000) 51.169 1.464 ( 12.902 -32.898 0.000) 35.338 2.243 ( -1.800 7.967 0.000) 8.168 2.279 ( 2.685 11.247 0.000) 11.562 2.283 ( 4.573 -33.774 0.000) 34.082 2.462 ( -5.260 -2.836 0.000) 5.976 2.487 ( -5.544 2.611 0.000) 6.128 2.541 ( -5.801 -2.398 0.000) 6.277 2.574 ( 5.410 13.840 0.000) 14.860 2.645 ( 8.886 3.269 0.000) 9.468 2.700 ( 5.403 -12.143 0.000) 13.290 2.727 ( -0.193 8.308 0.000) 8.310 2.845 ( 4.680 -10.072 0.000) 11.106 2.949 ( 5.543 -9.432 0.000) 10.940 2.968 ( 8.614 -18.905 0.000) 20.775 3.084 ( 4.520 0.477 0.000) 4.545 3.109 ( 5.837 -3.432 0.000) 6.771 3.206 ( -4.488 5.079 0.000) 6.778 3.254 ( -2.506 0.007 0.000) 2.506 3.364 ( -0.972 3.810 0.000) 3.932 3.431 ( 1.624 -2.488 0.000) 2.971 3.469 ( 1.730 5.122 0.000) 5.406 3.519 ( 2.953 -0.313 0.000) 2.970 3.554 ( -1.417 4.430 0.000) 4.651 3.620 ( -2.035 -2.438 0.000) 3.176 3.769 ( -6.216 7.028 0.000) 9.383 3.797 ( 0.821 1.223 0.000) 1.473 3.834 ( -0.381 -1.586 0.000) 1.631 3.858 ( 1.809 -4.450 0.000) 4.804 3.969 ( -2.082 1.322 0.000) 2.466 4.013 ( -0.575 3.763 0.000) 3.806 4.057 ( 0.490 -0.323 0.000) 0.587 4.073 ( 0.534 -5.731 0.000) 5.756 4.090 ( 1.957 0.820 0.000) 2.122 4.097 ( -2.108 0.663 0.000) 2.210 4.159 ( -0.740 4.895 0.000) 4.951 4.187 ( 1.783 2.085 0.000) 2.743 4.234 ( 4.442 3.803 0.000) 5.847 4.290 ( -1.716 -0.530 0.000) 1.796 4.303 ( 2.328 5.711 0.000) 6.168 4.334 ( -0.611 1.628 0.000) 1.739 4.373 ( 4.114 2.992 0.000) 5.087 4.385 ( -4.452 -2.075 0.000) 4.912 4.453 ( 1.567 -1.758 0.000) 2.355 4.498 ( 1.630 10.905 0.000) 11.026 4.560 ( 2.853 -6.440 0.000) 7.044 4.617 ( 3.781 4.113 0.000) 5.587 4.683 ( 6.273 2.330 0.000) 6.692 4.708 ( 3.468 3.893 0.000) 5.213 4.800 ( -0.950 -3.252 0.000) 3.388 4.825 ( -1.208 0.775 0.000) 1.435 4.838 ( 4.910 0.141 0.000) 4.912 4.848 ( 1.057 2.295 0.000) 2.527 4.872 ( 0.694 -3.892 0.000) 3.953 4.928 ( -1.380 -2.959 0.000) 3.265 4.959 ( 5.526 -9.582 0.000) 11.061 4.965 ( -2.335 -0.072 0.000) 2.336 5.083 ( 0.530 -0.402 0.000) 0.665 5.164 ( -3.841 5.603 0.000) 6.793 5.172 ( 2.049 -7.983 0.000) 8.241 5.223 ( -0.217 2.922 0.000) 2.930 5.249 ( -1.458 -2.951 0.000) 3.292 5.297 ( 0.091 -0.769 0.000) 0.774 5.339 ( 0.701 -4.640 0.000) 4.692 5.365 ( -5.156 -12.238 0.000) 13.280 5.398 ( 0.774 4.041 0.000) 4.115 5.480 ( 3.612 -5.584 0.000) 6.650 5.601 ( -0.285 5.911 0.000) 5.918 5.643 ( -0.106 6.114 0.000) 6.114 5.669 ( 0.221 0.537 0.000) 0.581 5.689 ( 0.526 4.766 0.000) 4.795 5.749 ( 1.600 5.102 0.000) 5.347 5.796 ( 0.494 -5.757 0.000) 5.778 5.819 ( -2.340 4.439 0.000) 5.018 5.834 ( -1.678 -5.201 0.000) 5.465 5.889 ( 0.033 8.513 0.000) 8.513 5.932 ( -1.582 1.397 0.000) 2.111 5.941 ( -4.034 7.161 0.000) 8.219 5.990 ( -3.030 -4.023 0.000) 5.036 6.040 ( -1.817 -0.671 0.000) 1.937 6.109 ( 0.148 -5.591 0.000) 5.593 6.118 ( -5.236 3.722 0.000) 6.424 6.181 ( -0.920 2.487 0.000) 2.652 6.186 ( -0.468 -1.120 0.000) 1.214 6.263 ( -0.159 -4.974 0.000) 4.977 6.277 ( -5.680 -2.424 0.000) 6.176 6.299 ( -4.833 -2.059 0.000) 5.254 6.327 ( 5.123 6.144 0.000) 8.000 6.347 ( -1.531 1.841 0.000) 2.394 6.392 ( -1.871 -2.528 0.000) 3.145 6.437 ( -1.160 3.697 0.000) 3.875 6.446 ( 5.936 -3.027 0.000) 6.664 6.494 ( -4.709 -1.372 0.000) 4.905 6.542 ( 0.738 -4.720 0.000) 4.777 6.548 ( -0.936 -7.122 0.000) 7.184 6.590 ( 1.304 0.017 0.000) 1.304 6.619 ( -1.619 1.115 0.000) 1.966 6.627 ( -3.625 -0.354 0.000) 3.642 6.630 ( -1.741 -6.385 0.000) 6.618 6.692 ( 1.121 7.657 0.000) 7.738 6.762 ( -2.890 3.570 0.000) 4.593 6.809 ( -1.873 0.004 0.000) 1.873 6.818 ( -2.131 -1.574 0.000) 2.649 6.830 ( 1.701 1.010 0.000) 1.978 6.838 ( -1.243 1.991 0.000) 2.347 6.880 ( -0.593 -1.046 0.000) 1.202 6.916 ( 0.581 -6.312 0.000) 6.339 6.963 ( 0.196 -0.313 0.000) 0.369 6.978 ( 0.805 1.264 0.000) 1.499 6.999 ( 1.500 -3.657 0.000) 3.953 7.017 ( 0.025 -2.252 0.000) 2.252 7.177 ( -0.584 6.897 0.000) 6.922 7.186 ( 0.022 2.171 0.000) 2.171 7.232 ( -0.270 -2.054 0.000) 2.072 7.286 ( -0.635 -2.917 0.000) 2.986 7.340 ( -1.236 1.719 0.000) 2.117 7.346 ( -4.636 0.570 0.000) 4.671 7.398 ( -4.903 2.321 0.000) 5.425 7.398 ( -3.585 3.395 0.000) 4.937 7.454 ( -6.092 -3.318 0.000) 6.937 7.461 ( -4.098 0.135 0.000) 4.100 7.469 ( -4.467 4.941 0.000) 6.661 7.544 ( 0.800 1.721 0.000) 1.897 7.551 ( -4.674 -1.864 0.000) 5.032 7.629 ( 2.347 -4.978 0.000) 5.503 7.681 ( -1.406 1.016 0.000) 1.735 7.701 ( 0.874 1.477 0.000) 1.717 7.744 ( -1.055 0.820 0.000) 1.336 7.751 ( -5.194 -2.242 0.000) 5.657 7.761 ( 2.159 4.352 0.000) 4.858 7.820 ( -2.043 0.156 0.000) 2.049 7.849 ( 1.871 -0.465 0.000) 1.928 7.897 ( 1.889 2.590 0.000) 3.206 7.903 ( 3.589 -4.427 0.000) 5.699 7.946 ( 3.535 -1.646 0.000) 3.900 7.988 ( 5.728 0.640 0.000) 5.764 8.031 ( 5.698 -3.651 0.000) 6.767 8.115 ( 2.019 5.268 0.000) 5.642 8.150 ( 5.872 3.335 0.000) 6.753 8.170 ( 4.041 0.583 0.000) 4.083 8.238 ( 6.023 -3.647 0.000) 7.041 8.249 ( 4.698 2.923 0.000) 5.534 8.351 ( 2.445 -5.757 0.000) 6.255 8.454 ( 0.906 1.242 0.000) 1.537 8.511 ( 3.643 -5.323 0.000) 6.450 8.599 ( 0.912 7.574 0.000) 7.628 8.683 ( 3.207 -1.067 0.000) 3.380 8.738 ( -4.328 2.921 0.000) 5.221 8.759 ( -0.705 5.231 0.000) 5.279 8.827 ( -3.418 -5.634 0.000) 6.590 8.872 ( -4.009 -1.336 0.000) 4.226 8.916 ( -4.869 2.653 0.000) 5.545 8.963 ( -5.550 -0.520 0.000) 5.574 9.025 ( -3.514 0.318 0.000) 3.529 9.031 ( 1.791 1.008 0.000) 2.055 9.046 ( -3.072 -1.984 0.000) 3.657 9.092 ( 5.868 -1.167 0.000) 5.983 9.206 ( 6.397 0.264 0.000) 6.403 9.300 ( 4.188 14.007 0.000) 14.620 9.388 ( 4.454 -10.599 0.000) 11.497 9.467 ( 1.439 5.734 0.000) 5.912 9.516 ( 3.479 -7.522 0.000) 8.288 9.596 ( 2.564 -6.484 0.000) 6.972 9.618 ( -0.816 1.631 0.000) 1.824 9.644 ( -0.955 -0.630 0.000) 1.144 9.689 ( 1.031 3.019 0.000) 3.191 9.758 ( 2.835 -3.683 0.000) 4.648 9.837 ( 1.385 0.615 0.000) 1.515 9.848 ( 1.782 -0.480 0.000) 1.846 9.942 ( 3.854 9.280 0.000) 10.049 10.122 ( 3.987 -10.564 0.000) 11.291 10.323 ( 1.535 3.581 0.000) 3.897 10.411 ( 0.473 -4.328 0.000) 4.354 10.526 ( -3.570 2.803 0.000) 4.539 10.580 ( -3.003 -3.290 0.000) 4.455 10.670 ( -1.604 1.430 0.000) 2.149 10.707 ( -0.429 -2.466 0.000) 2.503 10.842 ( -0.240 3.834 0.000) 3.842 10.903 ( -1.051 -2.439 0.000) 2.656 10.996 ( -5.360 5.670 0.000) 7.802 11.090 ( -9.389 -4.060 0.000) 10.229 12.016 ( -1.230 6.636 0.000) 6.749 12.111 ( -9.832 12.510 0.000) 15.911 12.184 ( -1.552 -10.669 0.000) 10.781 12.288 ( -8.475 -6.846 0.000) 10.895 12.542 ( 1.013 2.568 0.000) 2.760 12.582 ( -2.380 7.025 0.000) 7.417 12.587 ( 1.086 -2.155 0.000) 2.413 12.673 ( -2.515 -3.054 0.000) 3.957 12.754 ( -0.488 2.105 0.000) 2.160 12.792 ( 0.282 -1.695 0.000) 1.719 13.050 ( -1.185 2.039 0.000) 2.358 13.078 ( -3.191 2.999 0.000) 4.379 13.106 ( -4.688 -3.592 0.000) 5.906 13.113 ( -2.923 -0.674 0.000) 3.000 13.134 ( -1.019 2.383 0.000) 2.592 13.216 ( 2.108 -5.252 0.000) 5.659 13.264 ( 1.677 2.439 0.000) 2.960 13.318 ( 0.348 -1.963 0.000) 1.994 13.323 ( 0.715 1.994 0.000) 2.119 13.366 ( -0.296 -1.303 0.000) 1.336 13.469 ( -3.133 1.527 0.000) 3.486 13.509 ( -3.537 -1.712 0.000) 3.929 13.621 ( -2.115 -0.086 0.000) 2.116 13.635 ( -2.076 -2.055 0.000) 2.921 18.923 ( 0.498 2.830 0.000) 2.874 18.995 ( 0.409 -4.698 0.000) 4.716 19.119 ( 0.092 -0.142 0.000) 0.169 19.128 ( -0.188 -0.770 0.000) 0.793 19.211 ( -0.161 4.516 0.000) 4.519 19.227 ( -1.240 2.324 0.000) 2.635 19.257 ( -1.340 -0.981 0.000) 1.661 19.279 ( -0.593 -2.543 0.000) 2.611 19.474 ( 1.341 0.662 0.000) 1.495 19.490 ( 1.965 -0.835 0.000) 2.135 19.777 ( 2.321 0.731 0.000) 2.433 19.791 ( 2.830 -0.622 0.000) 2.897 19.987 ( -4.518 0.594 0.000) 4.556 20.015 ( -4.644 -2.377 0.000) 5.217 20.560 ( 1.618 0.688 0.000) 1.759 20.577 ( 1.811 -1.073 0.000) 2.105 20.592 ( -12.945 18.915 0.000) 22.921 20.741 ( 2.794 2.353 0.000) 3.653 20.784 ( 2.738 -1.950 0.000) 3.361 20.839 ( -10.526 -7.628 0.000) 13.000 21.061 ( 0.559 0.518 0.000) 0.762 21.092 ( -1.033 -1.953 0.000) 2.210 21.275 ( 0.166 8.031 0.000) 8.032 21.275 ( 0.619 -0.010 0.000) 0.619 21.276 ( 0.545 -0.057 0.000) 0.548 21.427 ( -1.615 -6.801 0.000) 6.990 21.498 ( 1.903 0.176 0.000) 1.911 21.501 ( 1.940 -0.143 0.000) 1.945 21.777 ( -1.435 2.712 0.000) 3.068 21.893 ( 1.356 -10.891 0.000) 10.975 22.452 ( -9.266 13.254 0.000) 16.172 22.704 ( -6.253 -14.301 0.000) 15.608 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 12.729 28.653 0.000) 31.353 1.226 ( 22.062 16.177 0.000) 27.358 1.592 ( 13.863 -21.017 0.000) 25.177 1.728 ( 11.303 -30.442 0.000) 32.473 1.975 ( 28.119 22.576 0.000) 36.060 2.221 ( -3.320 -2.010 0.000) 3.881 2.245 ( -2.558 -4.680 0.000) 5.334 2.352 ( -6.382 0.299 0.000) 6.389 2.357 ( -2.349 -3.474 0.000) 4.194 2.483 ( 5.477 11.017 0.000) 12.304 2.503 ( 9.634 -20.091 0.000) 22.281 2.599 ( -0.730 1.394 0.000) 1.574 2.739 ( 1.496 2.460 0.000) 2.880 2.749 ( 1.005 6.552 0.000) 6.629 2.863 ( 5.055 10.831 0.000) 11.953 2.981 ( 7.283 -3.083 0.000) 7.909 3.046 ( 4.809 -7.747 0.000) 9.119 3.097 ( 2.658 -1.799 0.000) 3.210 3.148 ( 1.439 2.062 0.000) 2.515 3.230 ( 0.705 -7.026 0.000) 7.062 3.276 ( 10.581 2.643 0.000) 10.906 3.318 ( 5.087 -2.235 0.000) 5.557 3.340 ( -1.513 4.196 0.000) 4.460 3.481 ( 2.061 -8.037 0.000) 8.297 3.489 ( -2.464 -0.586 0.000) 2.532 3.533 ( 5.427 2.604 0.000) 6.020 3.545 ( -4.996 -3.379 0.000) 6.032 3.553 ( 4.001 0.183 0.000) 4.005 3.677 ( -2.000 13.010 0.000) 13.162 3.825 ( 1.864 2.236 0.000) 2.911 3.863 ( -0.728 -1.136 0.000) 1.350 3.884 ( 0.029 1.198 0.000) 1.199 3.945 ( 0.817 0.786 0.000) 1.134 3.965 ( -5.278 7.745 0.000) 9.372 4.005 ( -6.351 -1.236 0.000) 6.470 4.025 ( 1.047 -6.733 0.000) 6.814 4.091 ( 3.406 -3.553 0.000) 4.922 4.101 ( -1.600 -6.221 0.000) 6.424 4.137 ( -1.314 3.493 0.000) 3.732 4.197 ( -0.913 2.180 0.000) 2.363 4.220 ( -2.458 3.646 0.000) 4.397 4.285 ( -1.216 0.459 0.000) 1.300 4.293 ( 0.184 -5.008 0.000) 5.012 4.387 ( 1.680 -6.969 0.000) 7.169 4.390 ( 5.081 4.559 0.000) 6.827 4.462 ( 3.559 -3.211 0.000) 4.793 4.548 ( 6.463 7.211 0.000) 9.684 4.568 ( 4.532 7.446 0.000) 8.717 4.668 ( 1.583 -1.703 0.000) 2.325 4.691 ( 8.858 -3.604 0.000) 9.563 4.697 ( -2.553 1.828 0.000) 3.140 4.767 ( -2.908 -5.166 0.000) 5.928 4.805 ( -5.001 1.754 0.000) 5.300 4.806 ( 2.436 1.448 0.000) 2.833 4.822 ( 1.785 1.789 0.000) 2.527 4.836 ( -4.486 2.397 0.000) 5.086 4.889 ( 0.730 -2.424 0.000) 2.532 4.930 ( -1.042 -6.937 0.000) 7.015 4.933 ( 1.640 5.200 0.000) 5.452 5.050 ( 3.949 6.469 0.000) 7.579 5.120 ( -4.260 -9.314 0.000) 10.242 5.146 ( -0.163 -2.712 0.000) 2.717 5.170 ( 5.300 1.741 0.000) 5.579 5.210 ( 2.521 1.855 0.000) 3.130 5.239 ( 0.111 -2.380 0.000) 2.382 5.271 ( -2.522 -1.801 0.000) 3.099 5.292 ( -0.089 -6.108 0.000) 6.109 5.355 ( -0.365 0.018 0.000) 0.365 5.432 ( 3.291 2.544 0.000) 4.160 5.545 ( 1.605 -5.566 0.000) 5.793 5.585 ( -0.421 2.959 0.000) 2.989 5.599 ( -3.708 9.486 0.000) 10.185 5.674 ( 1.279 -3.961 0.000) 4.162 5.746 ( -0.764 -1.776 0.000) 1.933 5.753 ( -0.592 -0.521 0.000) 0.789 5.795 ( -2.888 1.550 0.000) 3.278 5.815 ( 4.332 3.772 0.000) 5.744 5.830 ( 0.023 5.971 0.000) 5.971 5.852 ( -2.049 6.325 0.000) 6.648 5.874 ( -2.437 3.698 0.000) 4.429 5.910 ( -1.296 -0.231 0.000) 1.316 5.942 ( 0.528 0.369 0.000) 0.644 5.975 ( -7.378 -0.886 0.000) 7.431 6.033 ( -0.367 2.141 0.000) 2.172 6.045 ( -5.847 -7.064 0.000) 9.170 6.083 ( -8.527 2.231 0.000) 8.814 6.140 ( -6.139 -3.654 0.000) 7.144 6.185 ( 1.696 1.009 0.000) 1.973 6.226 ( -5.571 -4.955 0.000) 7.456 6.246 ( -3.585 -3.327 0.000) 4.891 6.297 ( -3.903 0.856 0.000) 3.996 6.318 ( 3.552 -4.636 0.000) 5.841 6.334 ( -3.176 5.816 0.000) 6.627 6.402 ( -1.921 7.092 0.000) 7.347 6.472 ( 1.410 2.800 0.000) 3.135 6.506 ( 1.037 -2.903 0.000) 3.083 6.535 ( -3.872 0.737 0.000) 3.942 6.561 ( -1.178 -4.294 0.000) 4.452 6.575 ( -3.004 -1.797 0.000) 3.500 6.597 ( 1.524 -3.421 0.000) 3.746 6.630 ( 3.107 -0.413 0.000) 3.134 6.674 ( 2.588 -4.891 0.000) 5.534 6.699 ( -1.035 5.266 0.000) 5.367 6.715 ( -0.166 0.720 0.000) 0.739 6.748 ( -5.129 2.594 0.000) 5.748 6.755 ( -2.779 -2.819 0.000) 3.959 6.795 ( -0.324 2.840 0.000) 2.858 6.828 ( 0.712 4.164 0.000) 4.224 6.888 ( 2.175 -0.559 0.000) 2.246 6.905 ( -1.930 -6.187 0.000) 6.481 6.963 ( 0.583 1.699 0.000) 1.796 7.007 ( -0.237 0.483 0.000) 0.538 7.022 ( 0.813 -1.129 0.000) 1.391 7.042 ( 2.127 -4.211 0.000) 4.718 7.148 ( -0.989 2.794 0.000) 2.964 7.178 ( -1.814 3.546 0.000) 3.983 7.203 ( -5.003 -2.748 0.000) 5.708 7.241 ( -0.155 -3.334 0.000) 3.338 7.291 ( 1.792 -0.548 0.000) 1.874 7.321 ( -3.867 3.449 0.000) 5.182 7.328 ( 1.656 -4.339 0.000) 4.645 7.372 ( 0.696 2.052 0.000) 2.167 7.373 ( -0.052 1.064 0.000) 1.065 7.403 ( -1.864 -3.311 0.000) 3.800 7.407 ( -0.126 -1.312 0.000) 1.318 7.454 ( -3.522 -3.938 0.000) 5.283 7.575 ( 1.927 5.742 0.000) 6.057 7.600 ( -4.093 2.083 0.000) 4.592 7.643 ( -4.244 -0.543 0.000) 4.279 7.683 ( 2.475 -5.159 0.000) 5.722 7.728 ( -0.525 -0.258 0.000) 0.585 7.754 ( 0.591 -1.241 0.000) 1.375 7.768 ( -1.826 2.730 0.000) 3.285 7.789 ( -0.732 -0.216 0.000) 0.763 7.910 ( 5.229 4.954 0.000) 7.203 7.935 ( 1.891 6.449 0.000) 6.720 7.997 ( 2.491 -3.700 0.000) 4.460 7.997 ( 0.618 0.571 0.000) 0.841 8.079 ( 1.628 -0.191 0.000) 1.639 8.118 ( 1.613 -3.787 0.000) 4.116 8.165 ( 1.774 3.733 0.000) 4.133 8.232 ( 1.327 5.002 0.000) 5.175 8.247 ( 2.557 -3.888 0.000) 4.653 8.327 ( 3.204 -0.279 0.000) 3.216 8.349 ( 3.575 0.304 0.000) 3.588 8.447 ( 3.828 -7.000 0.000) 7.979 8.497 ( 1.653 3.109 0.000) 3.521 8.578 ( 1.297 -5.705 0.000) 5.851 8.611 ( 0.181 6.675 0.000) 6.678 8.688 ( 1.960 4.551 0.000) 4.955 8.718 ( 0.030 -3.884 0.000) 3.884 8.741 ( -2.660 -0.280 0.000) 2.675 8.759 ( 1.043 1.703 0.000) 1.997 8.795 ( -1.575 -2.568 0.000) 3.013 8.820 ( -6.030 3.124 0.000) 6.792 8.849 ( -4.839 0.633 0.000) 4.880 8.930 ( -5.134 -5.559 0.000) 7.566 8.948 ( -3.377 -6.254 0.000) 7.107 9.044 ( 0.643 7.202 0.000) 7.231 9.215 ( 5.259 1.158 0.000) 5.385 9.290 ( 0.737 2.293 0.000) 2.408 9.389 ( 3.341 12.269 0.000) 12.716 9.479 ( 3.554 -4.457 0.000) 5.701 9.494 ( 1.269 6.847 0.000) 6.964 9.584 ( 2.351 -5.648 0.000) 6.118 9.598 ( -2.522 -0.481 0.000) 2.568 9.626 ( 0.603 -1.110 0.000) 1.263 9.668 ( 3.888 -6.506 0.000) 7.579 9.717 ( 1.484 4.032 0.000) 4.297 9.816 ( 2.089 -4.894 0.000) 5.321 9.888 ( 4.116 2.066 0.000) 4.605 9.927 ( 5.498 -1.830 0.000) 5.795 9.974 ( -1.568 5.681 0.000) 5.894 10.124 ( -3.857 -8.941 0.000) 9.737 10.361 ( 1.806 4.148 0.000) 4.524 10.420 ( -2.831 2.479 0.000) 3.763 10.448 ( 1.047 -2.266 0.000) 2.496 10.512 ( -3.622 -3.463 0.000) 5.011 10.636 ( -1.537 1.845 0.000) 2.401 10.685 ( -1.502 -3.343 0.000) 3.664 10.822 ( -1.826 2.958 0.000) 3.476 10.837 ( -10.572 1.931 0.000) 10.747 10.862 ( -2.868 -1.293 0.000) 3.146 10.872 ( -6.767 -1.409 0.000) 6.912 11.986 ( -1.371 6.252 0.000) 6.401 12.010 ( -1.472 6.578 0.000) 6.741 12.134 ( -5.606 -5.607 0.000) 7.929 12.139 ( -2.526 -9.351 0.000) 9.686 12.524 ( -2.734 5.531 0.000) 6.170 12.559 ( 0.330 1.131 0.000) 1.178 12.582 ( -1.433 -1.175 0.000) 1.853 12.595 ( -3.787 -2.081 0.000) 4.321 12.769 ( 1.528 1.290 0.000) 1.999 12.799 ( 0.568 -1.408 0.000) 1.519 12.966 ( -6.396 1.251 0.000) 6.517 12.996 ( -4.429 -1.820 0.000) 4.789 13.016 ( -3.044 0.594 0.000) 3.101 13.047 ( 0.194 -2.081 0.000) 2.090 13.161 ( 0.087 3.972 0.000) 3.973 13.228 ( -1.152 -2.649 0.000) 2.889 13.244 ( -2.374 2.583 0.000) 3.508 13.275 ( -1.349 0.359 0.000) 1.396 13.380 ( 2.624 0.375 0.000) 2.651 13.390 ( -4.217 1.931 0.000) 4.638 13.409 ( 3.191 -1.992 0.000) 3.762 13.427 ( -4.073 -0.485 0.000) 4.101 13.572 ( -2.173 -0.599 0.000) 2.254 13.591 ( -1.780 -2.462 0.000) 3.038 18.938 ( 0.943 2.819 0.000) 2.973 19.008 ( 0.819 -4.381 0.000) 4.456 19.095 ( -2.170 1.085 0.000) 2.426 19.122 ( -0.488 -1.647 0.000) 1.718 19.210 ( 0.120 3.759 0.000) 3.761 19.227 ( 0.363 0.401 0.000) 0.541 19.233 ( -0.182 0.030 0.000) 0.185 19.267 ( -0.387 -2.189 0.000) 2.223 19.517 ( 2.622 1.203 0.000) 2.885 19.545 ( 3.169 -1.495 0.000) 3.504 19.850 ( 4.504 1.597 0.000) 4.779 19.878 ( -5.404 0.967 0.000) 5.490 19.880 ( 5.484 -1.286 0.000) 5.633 19.919 ( -4.490 -3.640 0.000) 5.780 20.401 ( -7.316 13.298 0.000) 15.178 20.610 ( 3.095 0.969 0.000) 3.243 20.618 ( -10.178 -8.459 0.000) 13.234 20.634 ( 3.563 -1.453 0.000) 3.848 20.822 ( 4.845 2.556 0.000) 5.478 20.869 ( 5.255 -2.057 0.000) 5.643 21.010 ( -4.858 0.795 0.000) 4.923 21.054 ( -2.730 -3.531 0.000) 4.463 21.279 ( -0.450 7.092 0.000) 7.106 21.293 ( 1.070 0.010 0.000) 1.070 21.293 ( 1.061 -0.045 0.000) 1.062 21.389 ( -1.565 -4.157 0.000) 4.442 21.556 ( 3.599 0.073 0.000) 3.600 21.558 ( 3.315 -0.069 0.000) 3.315 21.656 ( -8.835 3.404 0.000) 9.468 21.757 ( -11.347 -7.198 0.000) 13.437 22.240 ( -10.904 11.764 0.000) 16.040 22.456 ( -15.079 -10.167 0.000) 18.186 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 12.897 21.192 0.000) 24.808 1.653 ( 15.137 6.849 0.000) 16.614 1.833 ( 7.630 -9.974 0.000) 12.558 1.892 ( 4.454 -27.047 0.000) 27.411 2.090 ( -5.898 5.311 0.000) 7.936 2.157 ( -4.088 8.391 0.000) 9.334 2.238 ( 0.064 -8.966 0.000) 8.966 2.268 ( -1.839 -2.781 0.000) 3.334 2.563 ( 2.272 5.259 0.000) 5.729 2.608 ( 14.773 5.148 0.000) 15.644 2.648 ( 6.890 -4.457 0.000) 8.206 2.749 ( 8.776 -1.877 0.000) 8.975 2.790 ( 3.364 0.919 0.000) 3.488 2.807 ( 9.541 -5.437 0.000) 10.982 2.863 ( -4.238 17.302 0.000) 17.813 3.097 ( -0.398 2.566 0.000) 2.596 3.109 ( 1.633 10.102 0.000) 10.233 3.129 ( 6.213 3.473 0.000) 7.118 3.179 ( -5.650 -12.050 0.000) 13.308 3.241 ( -7.821 -2.406 0.000) 8.183 3.261 ( 2.375 -7.193 0.000) 7.575 3.353 ( 2.095 1.906 0.000) 2.832 3.356 ( 0.577 -7.456 0.000) 7.478 3.417 ( -2.032 -1.847 0.000) 2.746 3.492 ( 1.801 -5.216 0.000) 5.518 3.515 ( -1.074 -8.854 0.000) 8.919 3.617 ( -1.891 1.742 0.000) 2.571 3.647 ( 0.886 -0.075 0.000) 0.889 3.771 ( 3.223 6.244 0.000) 7.027 3.850 ( 6.492 4.691 0.000) 8.009 3.859 ( 1.045 8.690 0.000) 8.753 3.891 ( -0.113 0.497 0.000) 0.510 3.919 ( 1.398 8.313 0.000) 8.430 3.928 ( 1.014 4.464 0.000) 4.577 3.952 ( -4.882 4.980 0.000) 6.974 3.985 ( 1.437 5.794 0.000) 5.970 4.059 ( 3.149 0.811 0.000) 3.252 4.135 ( -0.818 -5.743 0.000) 5.801 4.148 ( -3.575 -6.305 0.000) 7.248 4.196 ( 0.197 1.749 0.000) 1.760 4.251 ( -3.346 -3.020 0.000) 4.507 4.278 ( 7.619 -6.776 0.000) 10.196 4.298 ( -1.118 -0.372 0.000) 1.178 4.395 ( -1.487 1.676 0.000) 2.240 4.412 ( -1.171 -7.981 0.000) 8.066 4.527 ( 4.497 -9.485 0.000) 10.497 4.564 ( -3.895 1.282 0.000) 4.101 4.603 ( -3.534 -0.735 0.000) 3.609 4.691 ( 0.624 5.945 0.000) 5.978 4.715 ( 4.275 2.307 0.000) 4.858 4.745 ( 3.927 3.450 0.000) 5.227 4.760 ( -0.100 -0.362 0.000) 0.376 4.783 ( -0.592 4.837 0.000) 4.874 4.788 ( -0.382 0.804 0.000) 0.890 4.829 ( -4.280 1.902 0.000) 4.683 4.890 ( 6.157 -3.129 0.000) 6.906 4.908 ( 3.502 -6.429 0.000) 7.321 4.944 ( 2.769 5.873 0.000) 6.493 4.990 ( 5.013 -10.654 0.000) 11.774 5.029 ( 0.925 -3.571 0.000) 3.689 5.135 ( -1.324 1.124 0.000) 1.737 5.181 ( -0.989 -4.840 0.000) 4.940 5.194 ( -0.114 3.590 0.000) 3.592 5.239 ( -0.279 0.362 0.000) 0.458 5.252 ( 6.474 3.010 0.000) 7.140 5.315 ( 3.495 1.652 0.000) 3.865 5.347 ( 1.681 -4.713 0.000) 5.004 5.355 ( 0.237 -1.681 0.000) 1.698 5.482 ( 1.990 1.502 0.000) 2.493 5.521 ( -2.600 5.778 0.000) 6.336 5.558 ( 0.590 -3.069 0.000) 3.126 5.612 ( 2.480 8.352 0.000) 8.712 5.623 ( -4.525 -2.873 0.000) 5.360 5.679 ( -1.111 2.138 0.000) 2.409 5.706 ( -3.939 6.198 0.000) 7.344 5.718 ( -6.193 3.919 0.000) 7.328 5.801 ( -4.703 -3.043 0.000) 5.602 5.829 ( -3.746 1.643 0.000) 4.090 5.840 ( -5.165 -4.737 0.000) 7.009 5.846 ( -1.598 1.948 0.000) 2.520 5.854 ( -0.869 -3.761 0.000) 3.860 5.883 ( -3.464 -2.840 0.000) 4.480 5.902 ( -5.960 0.209 0.000) 5.964 5.918 ( -7.721 -3.269 0.000) 8.385 5.965 ( 3.719 -0.674 0.000) 3.780 6.011 ( 5.283 -4.222 0.000) 6.763 6.090 ( 0.131 2.896 0.000) 2.899 6.136 ( -2.088 -1.000 0.000) 2.316 6.169 ( -0.995 5.323 0.000) 5.415 6.228 ( 0.678 -0.790 0.000) 1.041 6.245 ( -1.598 6.917 0.000) 7.099 6.328 ( 1.594 3.465 0.000) 3.815 6.372 ( -2.717 -5.353 0.000) 6.002 6.374 ( 0.250 2.135 0.000) 2.150 6.416 ( -5.045 1.560 0.000) 5.281 6.444 ( -5.248 1.618 0.000) 5.492 6.488 ( -1.926 2.865 0.000) 3.452 6.508 ( -0.201 -2.583 0.000) 2.591 6.560 ( 0.722 -7.270 0.000) 7.306 6.578 ( -2.415 -2.011 0.000) 3.143 6.619 ( -2.439 5.844 0.000) 6.332 6.658 ( -0.339 -0.539 0.000) 0.637 6.705 ( 0.415 -4.716 0.000) 4.734 6.711 ( -0.949 -1.636 0.000) 1.891 6.756 ( 3.836 1.267 0.000) 4.040 6.784 ( 4.951 -1.507 0.000) 5.175 6.808 ( 0.033 0.933 0.000) 0.934 6.852 ( 1.489 7.041 0.000) 7.196 6.867 ( 0.656 -4.854 0.000) 4.898 6.941 ( -4.377 4.536 0.000) 6.303 6.962 ( -0.423 8.754 0.000) 8.764 6.992 ( 5.346 -6.393 0.000) 8.334 7.044 ( -0.834 -4.860 0.000) 4.931 7.077 ( 1.472 -2.427 0.000) 2.838 7.139 ( 0.066 2.680 0.000) 2.681 7.154 ( 0.737 -0.655 0.000) 0.986 7.164 ( 1.284 0.706 0.000) 1.466 7.209 ( -5.558 5.260 0.000) 7.653 7.225 ( -1.120 -5.604 0.000) 5.715 7.324 ( -5.566 -5.991 0.000) 8.177 7.355 ( 2.584 0.101 0.000) 2.586 7.376 ( 3.758 -1.623 0.000) 4.093 7.425 ( 1.337 0.332 0.000) 1.377 7.440 ( 2.710 1.627 0.000) 3.161 7.450 ( 3.314 -2.349 0.000) 4.062 7.477 ( 5.465 -1.774 0.000) 5.746 7.538 ( -1.033 -0.134 0.000) 1.041 7.570 ( -2.432 -3.090 0.000) 3.932 7.646 ( 4.657 6.465 0.000) 7.967 7.659 ( -5.988 0.765 0.000) 6.037 7.707 ( -3.927 -3.133 0.000) 5.024 7.711 ( -2.369 2.934 0.000) 3.771 7.747 ( 1.487 -4.804 0.000) 5.029 7.795 ( 4.460 -4.038 0.000) 6.017 7.980 ( -1.614 4.637 0.000) 4.910 8.001 ( 3.391 3.255 0.000) 4.701 8.009 ( 0.478 1.867 0.000) 1.928 8.043 ( 5.670 -1.141 0.000) 5.784 8.069 ( -2.096 1.655 0.000) 2.670 8.119 ( -0.731 -3.117 0.000) 3.201 8.160 ( -1.773 2.502 0.000) 3.066 8.188 ( -4.430 6.156 0.000) 7.584 8.229 ( -4.394 -4.141 0.000) 6.038 8.303 ( -6.209 -5.390 0.000) 8.223 8.403 ( 1.859 6.060 0.000) 6.338 8.502 ( -1.226 2.236 0.000) 2.550 8.506 ( 1.334 -2.443 0.000) 2.784 8.580 ( 0.348 -4.865 0.000) 4.877 8.604 ( -1.523 5.513 0.000) 5.719 8.708 ( -2.894 2.020 0.000) 3.530 8.710 ( 0.278 4.899 0.000) 4.907 8.713 ( 0.287 -5.418 0.000) 5.426 8.775 ( -0.424 -2.429 0.000) 2.466 8.787 ( -1.465 -0.616 0.000) 1.589 8.789 ( 1.267 1.119 0.000) 1.690 8.804 ( 1.152 -0.532 0.000) 1.268 8.820 ( 2.218 -0.543 0.000) 2.283 8.992 ( 5.642 -13.462 0.000) 14.596 9.027 ( -4.085 12.890 0.000) 13.522 9.240 ( -1.943 9.856 0.000) 10.046 9.327 ( 2.932 -11.131 0.000) 11.511 9.404 ( -1.678 9.302 0.000) 9.452 9.462 ( -4.029 -7.322 0.000) 8.357 9.522 ( 0.199 2.045 0.000) 2.055 9.586 ( 2.472 5.051 0.000) 5.623 9.622 ( 1.541 1.431 0.000) 2.103 9.670 ( 2.833 -2.151 0.000) 3.557 9.742 ( 0.941 -4.715 0.000) 4.808 9.747 ( 3.212 3.471 0.000) 4.729 9.852 ( 1.534 -4.130 0.000) 4.405 9.920 ( -2.392 1.106 0.000) 2.635 9.993 ( -7.254 -5.281 0.000) 8.972 9.998 ( 5.906 3.837 0.000) 7.043 10.076 ( 8.199 -3.783 0.000) 9.030 10.276 ( -6.577 8.297 0.000) 10.588 10.406 ( -5.680 -4.968 0.000) 7.546 10.472 ( 4.674 1.191 0.000) 4.823 10.516 ( 3.354 -3.364 0.000) 4.750 10.604 ( -1.496 1.278 0.000) 1.967 10.645 ( -2.381 -2.976 0.000) 3.812 10.693 ( -2.686 4.081 0.000) 4.886 10.760 ( -3.592 -2.916 0.000) 4.626 10.763 ( -3.506 2.176 0.000) 4.126 10.789 ( -3.572 -0.716 0.000) 3.643 11.969 ( -0.105 5.013 0.000) 5.014 12.007 ( 0.765 2.033 0.000) 2.172 12.042 ( -3.399 -1.323 0.000) 3.647 12.083 ( -2.585 -6.407 0.000) 6.909 12.482 ( -0.899 3.810 0.000) 3.914 12.536 ( -2.551 0.553 0.000) 2.611 12.539 ( -1.342 -1.671 0.000) 2.143 12.553 ( -0.815 -1.016 0.000) 1.302 12.799 ( 0.867 -0.337 0.000) 0.930 12.823 ( 1.636 -2.247 0.000) 2.780 12.856 ( -3.667 2.085 0.000) 4.218 12.916 ( -3.156 -4.059 0.000) 5.142 12.983 ( 0.631 4.575 0.000) 4.618 13.064 ( 1.413 -3.518 0.000) 3.791 13.126 ( -3.219 3.709 0.000) 4.911 13.184 ( -2.769 -2.307 0.000) 3.604 13.216 ( -0.142 2.799 0.000) 2.803 13.261 ( 0.222 -1.442 0.000) 1.459 13.296 ( -4.155 3.285 0.000) 5.297 13.345 ( -3.488 -0.853 0.000) 3.590 13.441 ( 3.061 1.114 0.000) 3.257 13.469 ( 2.376 -1.456 0.000) 2.786 13.536 ( -1.329 -0.116 0.000) 1.335 13.556 ( -1.816 -1.755 0.000) 2.526 18.963 ( 1.401 2.781 0.000) 3.114 19.031 ( 1.330 -4.164 0.000) 4.372 19.044 ( -2.393 2.205 0.000) 3.254 19.100 ( -1.527 -3.529 0.000) 3.845 19.215 ( 0.345 3.180 0.000) 3.198 19.222 ( -0.065 2.269 0.000) 2.270 19.254 ( 0.927 -1.135 0.000) 1.465 19.264 ( 0.044 -1.853 0.000) 1.853 19.583 ( 3.541 1.649 0.000) 3.906 19.622 ( 4.124 -2.270 0.000) 4.707 19.767 ( -5.065 1.809 0.000) 5.378 19.820 ( -4.851 -3.793 0.000) 6.158 19.964 ( 6.074 3.147 0.000) 6.841 20.020 ( 7.708 -2.453 0.000) 8.089 20.250 ( -7.065 8.917 0.000) 11.376 20.406 ( -9.931 -6.578 0.000) 11.912 20.688 ( 4.175 1.498 0.000) 4.436 20.726 ( 5.044 -2.398 0.000) 5.585 20.896 ( -5.510 2.440 0.000) 6.026 20.944 ( 6.642 3.586 0.000) 7.548 20.965 ( -5.343 -4.782 0.000) 7.170 21.007 ( 7.779 -2.674 0.000) 8.226 21.234 ( -4.248 7.319 0.000) 8.462 21.320 ( 1.500 0.016 0.000) 1.500 21.321 ( 1.583 -0.068 0.000) 1.584 21.351 ( -2.913 -4.389 0.000) 5.268 21.467 ( -7.613 0.742 0.000) 7.649 21.496 ( -11.527 -2.560 0.000) 11.808 21.646 ( 5.280 0.650 0.000) 5.320 21.659 ( 6.456 -0.629 0.000) 6.487 22.002 ( -11.081 6.607 0.000) 12.901 22.125 ( -15.189 -5.594 0.000) 16.187 ======================= Grid point 13 (10/30) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -9.964 9.551 0.000) 13.803 1.676 ( 9.964 9.551 0.000) 13.803 1.937 ( -0.693 -15.619 0.000) 15.634 1.937 ( 0.693 -15.619 0.000) 15.634 2.068 ( -3.720 10.919 0.000) 11.536 2.068 ( 3.720 10.919 0.000) 11.536 2.250 ( -0.582 -8.100 0.000) 8.121 2.250 ( 0.582 -8.100 0.000) 8.121 2.684 ( -7.304 5.417 0.000) 9.094 2.684 ( 7.304 5.417 0.000) 9.094 2.757 ( -1.147 10.277 0.000) 10.341 2.757 ( 1.147 10.277 0.000) 10.341 2.820 ( -3.741 -4.319 0.000) 5.714 2.820 ( 3.741 -4.319 0.000) 5.714 3.027 ( -7.119 -13.483 0.000) 15.247 3.027 ( 7.119 -13.483 0.000) 15.247 3.124 ( -0.635 6.112 0.000) 6.145 3.124 ( 0.635 6.112 0.000) 6.145 3.191 ( -5.679 1.410 0.000) 5.852 3.191 ( 5.679 1.410 0.000) 5.852 3.295 ( -8.367 1.336 0.000) 8.473 3.295 ( 8.367 1.336 0.000) 8.473 3.412 ( -4.992 -7.136 0.000) 8.709 3.412 ( 4.992 -7.136 0.000) 8.709 3.511 ( -6.193 2.301 0.000) 6.607 3.511 ( 6.193 2.301 0.000) 6.607 3.586 ( -5.380 -4.433 0.000) 6.971 3.586 ( 5.380 -4.433 0.000) 6.971 3.816 ( -1.764 4.643 0.000) 4.967 3.816 ( 1.764 4.643 0.000) 4.967 3.907 ( -0.385 9.213 0.000) 9.222 3.907 ( 0.385 9.213 0.000) 9.222 3.944 ( -2.943 -4.069 0.000) 5.022 3.944 ( 2.943 -4.069 0.000) 5.022 4.030 ( -3.313 -4.067 0.000) 5.246 4.030 ( 3.313 -4.067 0.000) 5.246 4.074 ( -2.072 3.281 0.000) 3.881 4.074 ( 2.072 3.281 0.000) 3.881 4.148 ( -2.211 -1.974 0.000) 2.964 4.148 ( 2.211 -1.974 0.000) 2.964 4.221 ( -3.580 2.979 0.000) 4.657 4.221 ( 3.580 2.979 0.000) 4.657 4.354 ( -0.696 -7.192 0.000) 7.226 4.354 ( 0.696 -7.192 0.000) 7.226 4.500 ( -8.309 6.147 0.000) 10.335 4.500 ( 8.309 6.147 0.000) 10.335 4.588 ( -2.154 -2.860 0.000) 3.580 4.588 ( 2.154 -2.860 0.000) 3.580 4.691 ( -3.810 0.143 0.000) 3.813 4.691 ( 3.810 0.143 0.000) 3.813 4.739 ( -0.238 -2.626 0.000) 2.636 4.739 ( 0.238 -2.626 0.000) 2.636 4.789 ( -0.053 8.893 0.000) 8.893 4.789 ( 0.053 8.893 0.000) 8.893 4.933 ( -7.622 2.542 0.000) 8.034 4.933 ( 7.622 2.542 0.000) 8.034 4.996 ( -2.277 0.152 0.000) 2.282 4.996 ( 2.277 0.152 0.000) 2.282 5.021 ( -3.402 -7.099 0.000) 7.872 5.021 ( 3.402 -7.099 0.000) 7.872 5.152 ( -2.360 0.177 0.000) 2.366 5.152 ( 2.360 0.177 0.000) 2.366 5.209 ( -2.858 -3.084 0.000) 4.204 5.209 ( 2.858 -3.084 0.000) 4.204 5.328 ( -0.748 -1.023 0.000) 1.267 5.328 ( 0.748 -1.023 0.000) 1.267 5.361 ( -1.006 -3.107 0.000) 3.266 5.361 ( 1.006 -3.107 0.000) 3.266 5.528 ( -1.036 3.533 0.000) 3.682 5.528 ( 1.036 3.533 0.000) 3.682 5.570 ( -1.085 1.857 0.000) 2.151 5.570 ( 1.085 1.857 0.000) 2.151 5.645 ( -2.488 1.600 0.000) 2.958 5.645 ( 2.488 1.600 0.000) 2.958 5.674 ( -3.283 1.193 0.000) 3.493 5.674 ( 3.283 1.193 0.000) 3.493 5.714 ( -4.225 0.307 0.000) 4.236 5.714 ( 4.225 0.307 0.000) 4.236 5.764 ( -0.902 -5.905 0.000) 5.974 5.764 ( 0.902 -5.905 0.000) 5.974 5.796 ( -2.092 4.001 0.000) 4.515 5.796 ( 2.092 4.001 0.000) 4.515 5.908 ( -0.123 -6.771 0.000) 6.772 5.908 ( 0.123 -6.771 0.000) 6.772 6.059 ( -4.369 2.831 0.000) 5.206 6.059 ( 4.369 2.831 0.000) 5.206 6.109 ( -2.151 -1.512 0.000) 2.629 6.109 ( 2.151 -1.512 0.000) 2.629 6.202 ( -2.294 2.484 0.000) 3.382 6.202 ( 2.295 2.484 0.000) 3.382 6.229 ( -3.731 1.681 0.000) 4.092 6.229 ( 3.731 1.681 0.000) 4.092 6.358 ( -0.861 6.084 0.000) 6.145 6.358 ( 0.861 6.084 0.000) 6.145 6.404 ( -1.432 1.263 0.000) 1.909 6.404 ( 1.432 1.263 0.000) 1.909 6.497 ( -2.513 -1.420 0.000) 2.886 6.497 ( 2.513 -1.420 0.000) 2.886 6.536 ( -0.533 -4.049 0.000) 4.084 6.536 ( 0.533 -4.049 0.000) 4.084 6.640 ( -1.529 -0.226 0.000) 1.546 6.640 ( 1.529 -0.226 0.000) 1.546 6.699 ( -0.484 -3.384 0.000) 3.418 6.699 ( 0.484 -3.384 0.000) 3.418 6.799 ( -1.004 2.682 0.000) 2.863 6.799 ( 1.004 2.682 0.000) 2.863 6.870 ( -1.824 -3.973 0.000) 4.371 6.870 ( 1.824 -3.973 0.000) 4.371 6.901 ( -0.780 7.503 0.000) 7.544 6.901 ( 0.780 7.503 0.000) 7.544 6.973 ( -5.654 3.467 0.000) 6.632 6.973 ( 5.654 3.467 0.000) 6.632 7.091 ( -2.683 -1.789 0.000) 3.225 7.091 ( 2.683 -1.789 0.000) 3.225 7.145 ( -4.462 -1.000 0.000) 4.573 7.145 ( 4.462 -1.000 0.000) 4.573 7.191 ( -0.156 -3.730 0.000) 3.733 7.191 ( 0.156 -3.730 0.000) 3.733 7.203 ( -2.029 -2.351 0.000) 3.106 7.203 ( 2.029 -2.351 0.000) 3.106 7.427 ( -2.031 1.431 0.000) 2.484 7.427 ( 2.031 1.431 0.000) 2.484 7.465 ( -5.568 -3.134 0.000) 6.389 7.465 ( 5.568 -3.134 0.000) 6.389 7.471 ( -0.834 3.753 0.000) 3.845 7.471 ( 0.834 3.753 0.000) 3.845 7.553 ( -2.458 -1.017 0.000) 2.660 7.553 ( 2.458 -1.017 0.000) 2.660 7.609 ( -3.603 0.120 0.000) 3.605 7.609 ( 3.603 0.120 0.000) 3.605 7.687 ( -2.821 -7.588 0.000) 8.095 7.687 ( 2.821 -7.588 0.000) 8.095 7.868 ( -9.782 8.263 0.000) 12.805 7.868 ( 9.782 8.263 0.000) 12.805 7.973 ( -6.818 -2.008 0.000) 7.108 7.973 ( 6.818 -2.008 0.000) 7.108 8.026 ( -1.697 3.967 0.000) 4.315 8.026 ( 1.697 3.967 0.000) 4.315 8.127 ( -1.302 1.256 0.000) 1.809 8.127 ( 1.302 1.256 0.000) 1.809 8.137 ( -2.612 -5.294 0.000) 5.903 8.137 ( 2.612 -5.294 0.000) 5.903 8.153 ( -3.839 -1.871 0.000) 4.270 8.153 ( 3.839 -1.871 0.000) 4.270 8.448 ( -2.644 3.392 0.000) 4.301 8.448 ( 2.644 3.392 0.000) 4.301 8.534 ( -2.799 -0.166 0.000) 2.804 8.534 ( 2.799 -0.166 0.000) 2.804 8.636 ( -3.287 3.064 0.000) 4.494 8.636 ( 3.287 3.064 0.000) 4.494 8.729 ( -0.562 -2.144 0.000) 2.216 8.729 ( 0.562 -2.144 0.000) 2.216 8.788 ( -2.315 0.516 0.000) 2.372 8.788 ( 2.315 0.516 0.000) 2.372 8.795 ( -1.197 -1.100 0.000) 1.625 8.795 ( 1.197 -1.100 0.000) 1.625 8.912 ( -4.823 7.530 0.000) 8.942 8.912 ( 4.823 7.530 0.000) 8.942 9.145 ( -7.676 -11.685 0.000) 13.980 9.145 ( 7.676 -11.685 0.000) 13.980 9.351 ( -2.401 6.267 0.000) 6.711 9.351 ( 2.401 6.267 0.000) 6.711 9.484 ( -3.211 -4.087 0.000) 5.197 9.484 ( 3.211 -4.087 0.000) 5.197 9.630 ( -1.092 4.703 0.000) 4.828 9.630 ( 1.092 4.703 0.000) 4.828 9.725 ( -1.995 -2.042 0.000) 2.855 9.725 ( 1.995 -2.042 0.000) 2.855 9.848 ( -5.896 0.470 0.000) 5.915 9.848 ( 5.896 0.470 0.000) 5.915 9.884 ( -1.544 -2.295 0.000) 2.766 9.884 ( 1.544 -2.295 0.000) 2.766 10.132 ( -6.688 6.836 0.000) 9.564 10.132 ( 6.688 6.836 0.000) 9.564 10.255 ( -8.229 -5.284 0.000) 9.779 10.255 ( 8.229 -5.284 0.000) 9.779 10.564 ( -2.954 0.078 0.000) 2.955 10.564 ( 2.954 0.078 0.000) 2.955 10.582 ( -3.249 -2.089 0.000) 3.863 10.582 ( 3.249 -2.089 0.000) 3.863 10.695 ( -2.282 2.643 0.000) 3.492 10.695 ( 2.282 2.643 0.000) 3.492 10.734 ( -1.075 -1.470 0.000) 1.821 10.734 ( 1.075 -1.470 0.000) 1.821 11.986 ( -1.775 2.516 0.000) 3.079 11.986 ( 1.775 2.516 0.000) 3.079 12.036 ( -1.848 -2.242 0.000) 2.905 12.036 ( 1.848 -2.242 0.000) 2.905 12.490 ( -1.501 2.206 0.000) 2.668 12.490 ( 1.501 2.206 0.000) 2.668 12.534 ( -0.620 -1.889 0.000) 1.988 12.534 ( 0.620 -1.889 0.000) 1.988 12.811 ( -0.853 1.128 0.000) 1.414 12.811 ( 0.853 1.128 0.000) 1.414 12.861 ( -2.066 -3.884 0.000) 4.399 12.861 ( 2.066 -3.884 0.000) 4.399 13.042 ( -4.133 4.477 0.000) 6.093 13.042 ( 4.133 4.477 0.000) 6.093 13.114 ( -3.302 -2.990 0.000) 4.455 13.114 ( 3.302 -2.990 0.000) 4.455 13.234 ( -1.765 3.292 0.000) 3.736 13.234 ( 1.765 3.292 0.000) 3.736 13.285 ( -2.011 -1.653 0.000) 2.603 13.285 ( 2.011 -1.653 0.000) 2.603 13.503 ( -2.389 0.015 0.000) 2.389 13.503 ( 2.389 0.015 0.000) 2.389 13.512 ( -1.912 -0.613 0.000) 2.008 13.512 ( 1.912 -0.613 0.000) 2.008 18.998 ( -1.943 2.656 0.000) 3.291 18.998 ( 1.943 2.656 0.000) 3.291 19.064 ( -1.740 -4.109 0.000) 4.463 19.064 ( 1.740 -4.109 0.000) 4.463 19.221 ( -0.127 2.961 0.000) 2.964 19.221 ( 0.127 2.961 0.000) 2.964 19.264 ( -0.126 -1.631 0.000) 1.636 19.264 ( 0.126 -1.631 0.000) 1.636 19.666 ( -4.349 1.970 0.000) 4.775 19.666 ( 4.349 1.970 0.000) 4.775 19.717 ( -4.755 -3.160 0.000) 5.709 19.717 ( 4.755 -3.160 0.000) 5.709 20.102 ( -6.872 5.575 0.000) 8.849 20.102 ( 6.872 5.575 0.000) 8.849 20.201 ( -9.238 -4.279 0.000) 10.181 20.201 ( 9.238 -4.279 0.000) 10.181 20.785 ( -4.950 2.221 0.000) 5.425 20.785 ( 4.950 2.221 0.000) 5.425 20.843 ( -5.856 -3.827 0.000) 6.996 20.843 ( 5.856 -3.827 0.000) 6.996 21.099 ( -7.637 5.657 0.000) 9.504 21.099 ( 7.637 5.657 0.000) 9.504 21.197 ( -9.902 -4.254 0.000) 10.777 21.197 ( 9.902 -4.254 0.000) 10.777 21.362 ( -2.549 -0.004 0.000) 2.549 21.362 ( 2.549 -0.004 0.000) 2.549 21.363 ( -2.774 -0.075 0.000) 2.775 21.363 ( 2.774 -0.075 0.000) 2.775 21.791 ( -8.508 2.682 0.000) 8.920 21.791 ( 8.508 2.682 0.000) 8.920 21.843 ( -11.083 -2.411 0.000) 11.343 21.843 ( 11.083 -2.411 0.000) 11.343 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 0.000 34.001) 34.001 0.691 ( 0.000 0.000 34.355) 34.355 1.210 ( 0.000 0.000 58.238) 58.238 1.891 ( 0.000 0.000 14.311) 14.311 1.898 ( 0.000 0.000 15.545) 15.545 1.921 ( 0.000 0.000 12.223) 12.223 2.198 ( 0.000 0.000 -12.704) 12.704 2.204 ( 0.000 0.000 7.370) 7.370 2.319 ( 0.000 0.000 -14.987) 14.987 2.573 ( 0.000 0.000 -3.189) 3.189 2.635 ( 0.000 0.000 4.541) 4.541 2.642 ( 0.000 0.000 0.364) 0.364 2.675 ( 0.000 0.000 3.711) 3.711 2.879 ( 0.000 0.000 7.626) 7.626 2.906 ( 0.000 0.000 -8.917) 8.917 3.107 ( 0.000 0.000 -0.981) 0.981 3.121 ( 0.000 0.000 6.639) 6.639 3.161 ( 0.000 0.000 3.062) 3.062 3.168 ( 0.000 0.000 11.311) 11.311 3.175 ( 0.000 0.000 -0.137) 0.137 3.206 ( 0.000 0.000 -2.884) 2.884 3.267 ( 0.000 0.000 4.316) 4.316 3.308 ( 0.000 0.000 6.847) 6.847 3.360 ( 0.000 0.000 0.257) 0.257 3.515 ( 0.000 0.000 13.452) 13.452 3.527 ( 0.000 0.000 1.766) 1.766 3.566 ( 0.000 0.000 2.032) 2.032 3.634 ( 0.000 0.000 7.295) 7.295 3.677 ( 0.000 0.000 -0.075) 0.075 3.734 ( 0.000 0.000 -0.062) 0.062 3.787 ( 0.000 0.000 -11.987) 11.987 3.808 ( 0.000 0.000 -6.084) 6.084 3.862 ( 0.000 0.000 -8.125) 8.125 3.935 ( 0.000 0.000 1.042) 1.042 3.939 ( 0.000 0.000 2.751) 2.751 3.969 ( 0.000 0.000 -3.738) 3.738 4.062 ( 0.000 0.000 -3.706) 3.706 4.082 ( 0.000 0.000 -3.530) 3.530 4.131 ( 0.000 0.000 9.354) 9.354 4.160 ( 0.000 0.000 -2.806) 2.806 4.175 ( 0.000 0.000 -2.133) 2.133 4.201 ( 0.000 0.000 -3.390) 3.390 4.214 ( 0.000 0.000 -3.675) 3.675 4.241 ( 0.000 0.000 -2.153) 2.153 4.288 ( 0.000 0.000 -3.131) 3.131 4.312 ( 0.000 0.000 0.432) 0.432 4.388 ( 0.000 0.000 0.625) 0.625 4.495 ( 0.000 0.000 8.245) 8.245 4.561 ( 0.000 0.000 1.145) 1.145 4.672 ( 0.000 0.000 3.801) 3.801 4.740 ( 0.000 0.000 -1.779) 1.779 4.741 ( 0.000 0.000 -2.248) 2.248 4.749 ( 0.000 0.000 8.809) 8.809 4.821 ( 0.000 0.000 -5.301) 5.301 4.838 ( 0.000 0.000 6.550) 6.550 4.899 ( 0.000 0.000 3.777) 3.777 4.977 ( 0.000 0.000 -0.300) 0.300 4.983 ( 0.000 0.000 -6.344) 6.344 4.994 ( 0.000 0.000 1.115) 1.115 5.013 ( 0.000 0.000 5.443) 5.443 5.095 ( 0.000 0.000 8.167) 8.167 5.140 ( 0.000 0.000 -8.385) 8.385 5.144 ( 0.000 0.000 1.039) 1.039 5.166 ( 0.000 0.000 -0.411) 0.411 5.232 ( 0.000 0.000 -8.788) 8.788 5.255 ( 0.000 0.000 -2.265) 2.265 5.355 ( 0.000 0.000 2.964) 2.964 5.392 ( 0.000 0.000 -1.134) 1.134 5.444 ( 0.000 0.000 -5.643) 5.643 5.464 ( 0.000 0.000 3.257) 3.257 5.535 ( 0.000 0.000 -2.761) 2.761 5.582 ( 0.000 0.000 -5.458) 5.458 5.684 ( 0.000 0.000 4.347) 4.347 5.695 ( 0.000 0.000 4.079) 4.079 5.774 ( 0.000 0.000 3.447) 3.447 5.780 ( 0.000 0.000 -3.061) 3.061 5.805 ( 0.000 0.000 4.138) 4.138 5.878 ( 0.000 0.000 0.763) 0.763 5.898 ( 0.000 0.000 -4.323) 4.323 5.987 ( 0.000 0.000 -1.934) 1.934 6.004 ( 0.000 0.000 -0.895) 0.895 6.014 ( 0.000 0.000 1.738) 1.738 6.059 ( 0.000 0.000 0.260) 0.260 6.079 ( 0.000 0.000 -1.128) 1.128 6.143 ( 0.000 0.000 -9.425) 9.425 6.154 ( 0.000 0.000 -4.344) 4.344 6.176 ( 0.000 0.000 -3.357) 3.357 6.195 ( 0.000 0.000 0.326) 0.326 6.218 ( 0.000 0.000 2.222) 2.222 6.248 ( 0.000 0.000 -4.671) 4.671 6.251 ( 0.000 0.000 -2.366) 2.366 6.381 ( 0.000 0.000 -4.354) 4.354 6.417 ( 0.000 0.000 3.745) 3.745 6.452 ( 0.000 0.000 -4.364) 4.364 6.454 ( 0.000 0.000 2.877) 2.877 6.492 ( 0.000 0.000 -1.818) 1.818 6.514 ( 0.000 0.000 -0.066) 0.066 6.572 ( 0.000 0.000 0.184) 0.184 6.597 ( 0.000 0.000 -10.785) 10.785 6.618 ( 0.000 0.000 -5.375) 5.375 6.674 ( 0.000 0.000 -4.221) 4.221 6.679 ( 0.000 0.000 -1.424) 1.424 6.727 ( 0.000 0.000 -2.139) 2.139 6.753 ( 0.000 0.000 1.067) 1.067 6.787 ( 0.000 0.000 2.896) 2.896 6.808 ( 0.000 0.000 -2.994) 2.994 6.810 ( 0.000 0.000 4.484) 4.484 6.857 ( 0.000 0.000 4.664) 4.664 6.875 ( 0.000 0.000 -6.424) 6.424 6.904 ( 0.000 0.000 2.658) 2.658 6.962 ( 0.000 0.000 1.670) 1.670 7.004 ( 0.000 0.000 -3.055) 3.055 7.026 ( 0.000 0.000 0.328) 0.328 7.063 ( 0.000 0.000 -0.801) 0.801 7.079 ( 0.000 0.000 2.378) 2.378 7.135 ( 0.000 0.000 -2.627) 2.627 7.153 ( 0.000 0.000 -6.950) 6.950 7.168 ( 0.000 0.000 -2.399) 2.399 7.213 ( 0.000 0.000 3.004) 3.004 7.316 ( 0.000 0.000 -0.336) 0.336 7.323 ( 0.000 0.000 -6.035) 6.035 7.354 ( 0.000 0.000 -5.808) 5.808 7.417 ( 0.000 0.000 -2.689) 2.689 7.498 ( 0.000 0.000 -5.283) 5.283 7.518 ( 0.000 0.000 -5.723) 5.723 7.610 ( 0.000 0.000 -10.188) 10.188 7.611 ( 0.000 0.000 -0.387) 0.387 7.631 ( 0.000 0.000 -8.501) 8.501 7.711 ( 0.000 0.000 4.615) 4.615 7.728 ( 0.000 0.000 0.922) 0.922 7.760 ( 0.000 0.000 -2.656) 2.656 7.765 ( 0.000 0.000 3.228) 3.228 7.834 ( 0.000 0.000 1.228) 1.228 7.852 ( 0.000 0.000 -1.454) 1.454 7.860 ( 0.000 0.000 -0.357) 0.357 7.878 ( 0.000 0.000 4.340) 4.340 7.905 ( 0.000 0.000 0.634) 0.634 7.946 ( 0.000 0.000 6.791) 6.791 7.971 ( 0.000 0.000 -4.062) 4.062 7.977 ( 0.000 0.000 1.946) 1.946 7.977 ( 0.000 0.000 1.184) 1.184 8.148 ( 0.000 0.000 3.180) 3.180 8.202 ( 0.000 0.000 7.819) 7.819 8.237 ( 0.000 0.000 2.553) 2.553 8.451 ( 0.000 0.000 3.694) 3.694 8.455 ( 0.000 0.000 -3.631) 3.631 8.557 ( 0.000 0.000 6.376) 6.376 8.570 ( 0.000 0.000 -1.000) 1.000 8.579 ( 0.000 0.000 5.714) 5.714 8.694 ( 0.000 0.000 -2.348) 2.348 8.779 ( 0.000 0.000 0.259) 0.259 8.828 ( 0.000 0.000 0.880) 0.880 8.872 ( 0.000 0.000 -1.971) 1.971 8.948 ( 0.000 0.000 0.168) 0.168 8.967 ( 0.000 0.000 -0.093) 0.093 8.977 ( 0.000 0.000 -1.513) 1.513 9.017 ( 0.000 0.000 -3.283) 3.283 9.041 ( 0.000 0.000 -1.779) 1.779 9.059 ( 0.000 0.000 0.828) 0.828 9.077 ( 0.000 0.000 -2.131) 2.131 9.151 ( 0.000 0.000 9.725) 9.725 9.373 ( 0.000 0.000 -0.243) 0.243 9.380 ( 0.000 0.000 4.630) 4.630 9.499 ( 0.000 0.000 -2.303) 2.303 9.511 ( 0.000 0.000 -1.751) 1.751 9.520 ( 0.000 0.000 6.006) 6.006 9.682 ( 0.000 0.000 5.182) 5.182 9.694 ( 0.000 0.000 4.408) 4.408 9.709 ( 0.000 0.000 10.030) 10.030 9.799 ( 0.000 0.000 -0.879) 0.879 9.858 ( 0.000 0.000 3.741) 3.741 9.860 ( 0.000 0.000 6.232) 6.232 9.932 ( 0.000 0.000 8.976) 8.976 10.242 ( 0.000 0.000 0.526) 0.526 10.383 ( 0.000 0.000 -2.369) 2.369 10.467 ( 0.000 0.000 1.513) 1.513 10.526 ( 0.000 0.000 -5.221) 5.221 10.634 ( 0.000 0.000 -4.716) 4.716 10.649 ( 0.000 0.000 -0.689) 0.689 10.724 ( 0.000 0.000 0.734) 0.734 10.752 ( 0.000 0.000 -6.072) 6.072 10.779 ( 0.000 0.000 1.754) 1.754 10.860 ( 0.000 0.000 -5.320) 5.320 10.895 ( 0.000 0.000 -4.483) 4.483 11.909 ( 0.000 0.000 -0.113) 0.113 11.953 ( 0.000 0.000 -1.277) 1.277 12.282 ( 0.000 0.000 -5.629) 5.629 12.347 ( 0.000 0.000 -3.050) 3.050 12.433 ( 0.000 0.000 -2.040) 2.040 12.598 ( 0.000 0.000 6.582) 6.582 12.611 ( 0.000 0.000 3.148) 3.148 12.669 ( 0.000 0.000 -10.218) 10.218 12.788 ( 0.000 0.000 -1.209) 1.209 12.866 ( 0.000 0.000 -6.694) 6.694 12.906 ( 0.000 0.000 -7.528) 7.528 12.995 ( 0.000 0.000 -6.408) 6.408 13.042 ( 0.000 0.000 -1.851) 1.851 13.103 ( 0.000 0.000 0.281) 0.281 13.115 ( 0.000 0.000 -4.900) 4.900 13.158 ( 0.000 0.000 -6.315) 6.315 13.242 ( 0.000 0.000 1.258) 1.258 13.307 ( 0.000 0.000 3.536) 3.536 13.307 ( 0.000 0.000 -2.228) 2.228 13.392 ( 0.000 0.000 1.482) 1.482 13.671 ( 0.000 0.000 11.740) 11.740 13.720 ( 0.000 0.000 10.047) 10.047 13.761 ( 0.000 0.000 7.855) 7.855 13.783 ( 0.000 0.000 9.229) 9.229 18.894 ( 0.000 0.000 0.412) 0.412 19.032 ( 0.000 0.000 -4.910) 4.910 19.040 ( 0.000 0.000 -1.905) 1.905 19.061 ( 0.000 0.000 -3.059) 3.059 19.202 ( 0.000 0.000 2.895) 2.895 19.222 ( 0.000 0.000 3.858) 3.858 19.285 ( 0.000 0.000 0.512) 0.512 19.325 ( 0.000 0.000 0.235) 0.235 19.629 ( 0.000 0.000 14.228) 14.228 19.769 ( 0.000 0.000 1.983) 1.983 19.803 ( 0.000 0.000 3.523) 3.523 19.913 ( 0.000 0.000 -1.878) 1.878 20.048 ( 0.000 0.000 1.136) 1.136 20.071 ( 0.000 0.000 -2.010) 2.010 20.256 ( 0.000 0.000 -4.317) 4.317 20.473 ( 0.000 0.000 -6.573) 6.573 20.741 ( 0.000 0.000 5.197) 5.197 20.814 ( 0.000 0.000 3.707) 3.707 20.989 ( 0.000 0.000 -1.361) 1.361 21.030 ( 0.000 0.000 0.573) 0.573 21.055 ( 0.000 0.000 1.194) 1.194 21.125 ( 0.000 0.000 2.241) 2.241 21.160 ( 0.000 0.000 -4.963) 4.963 21.269 ( 0.000 0.000 -0.199) 0.199 21.279 ( 0.000 0.000 1.122) 1.122 21.314 ( 0.000 0.000 -2.009) 2.009 21.415 ( 0.000 0.000 -4.869) 4.869 21.488 ( 0.000 0.000 -3.794) 3.794 21.896 ( 0.000 0.000 9.277) 9.277 22.111 ( 0.000 0.000 0.807) 0.807 22.211 ( 0.000 0.000 -1.445) 1.445 22.560 ( 0.000 0.000 -8.979) 8.979 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 10.961 0.000 28.939) 30.945 1.012 ( 28.250 0.000 20.070) 34.654 1.285 ( 7.785 0.000 49.583) 50.191 1.904 ( -0.938 0.000 9.517) 9.563 2.000 ( 8.559 0.000 8.886) 12.338 2.122 ( 16.220 0.000 8.561) 18.341 2.164 ( 0.305 0.000 2.151) 2.172 2.290 ( 5.881 0.000 -3.564) 6.877 2.301 ( 5.939 0.000 -1.673) 6.170 2.522 ( -4.150 0.000 -1.495) 4.412 2.564 ( -7.140 0.000 4.174) 8.271 2.576 ( -6.727 0.000 -0.603) 6.754 2.656 ( -0.379 0.000 5.064) 5.079 2.893 ( -1.557 0.000 -5.838) 6.042 2.923 ( 1.096 0.000 3.125) 3.311 3.019 ( -2.786 0.000 -1.409) 3.122 3.071 ( -7.357 0.000 1.409) 7.491 3.157 ( 0.603 0.000 6.841) 6.867 3.191 ( 7.903 0.000 6.787) 10.417 3.230 ( 2.169 0.000 -4.349) 4.860 3.251 ( 2.126 0.000 6.711) 7.039 3.301 ( 1.737 0.000 2.801) 3.296 3.365 ( 3.964 0.000 3.794) 5.487 3.398 ( 6.080 0.000 7.834) 9.916 3.427 ( -4.767 0.000 1.444) 4.981 3.518 ( -3.814 0.000 4.826) 6.151 3.536 ( 0.782 0.000 6.164) 6.214 3.644 ( -3.909 0.000 2.247) 4.509 3.674 ( -0.979 0.000 -1.427) 1.730 3.739 ( 2.279 0.000 0.651) 2.370 3.791 ( 0.489 0.000 -6.117) 6.136 3.826 ( 0.823 0.000 -8.922) 8.960 3.880 ( 3.376 0.000 -6.114) 6.984 3.942 ( 2.747 0.000 -6.572) 7.123 3.963 ( 1.235 0.000 7.303) 7.406 4.003 ( 0.311 0.000 -4.029) 4.041 4.063 ( -2.145 0.000 -1.660) 2.712 4.086 ( 5.528 0.000 -3.807) 6.712 4.133 ( -0.747 0.000 -1.726) 1.881 4.159 ( 0.929 0.000 1.027) 1.385 4.224 ( 2.653 0.000 2.158) 3.420 4.248 ( 4.444 0.000 -2.455) 5.077 4.302 ( 6.410 0.000 2.316) 6.815 4.309 ( 7.041 0.000 1.973) 7.312 4.339 ( 6.775 0.000 1.667) 6.977 4.458 ( 9.364 0.000 -1.700) 9.517 4.480 ( 0.106 0.000 7.950) 7.951 4.505 ( -2.463 0.000 -4.293) 4.949 4.542 ( 0.443 0.000 0.379) 0.583 4.605 ( -4.832 0.000 0.938) 4.922 4.654 ( -4.105 0.000 5.409) 6.790 4.726 ( 0.427 0.000 -2.497) 2.534 4.747 ( 0.027 0.000 0.268) 0.269 4.867 ( 3.362 0.000 3.421) 4.797 4.888 ( -1.517 0.000 3.945) 4.227 4.914 ( 0.154 0.000 -4.218) 4.220 4.962 ( -2.907 0.000 -7.330) 7.886 4.963 ( 2.484 0.000 7.147) 7.566 4.975 ( -2.948 0.000 6.353) 7.004 5.056 ( -2.996 0.000 6.378) 7.047 5.073 ( 3.854 0.000 -4.248) 5.736 5.087 ( -1.229 0.000 0.795) 1.464 5.153 ( -0.145 0.000 -7.314) 7.316 5.227 ( 2.699 0.000 -6.082) 6.654 5.282 ( 2.465 0.000 -8.503) 8.854 5.287 ( 3.469 0.000 1.824) 3.919 5.353 ( 0.523 0.000 3.546) 3.585 5.403 ( -0.426 0.000 -2.454) 2.490 5.440 ( -2.213 0.000 0.165) 2.219 5.452 ( 0.576 0.000 -5.370) 5.401 5.579 ( 0.305 0.000 -1.967) 1.991 5.581 ( 3.046 0.000 -2.617) 4.016 5.650 ( -1.202 0.000 1.782) 2.149 5.688 ( -1.273 0.000 2.888) 3.156 5.718 ( -2.484 0.000 1.837) 3.090 5.747 ( -2.032 0.000 4.669) 5.092 5.802 ( -3.893 0.000 3.614) 5.312 5.851 ( 1.546 0.000 1.526) 2.172 5.882 ( -3.011 0.000 -4.406) 5.337 5.909 ( -2.233 0.000 2.882) 3.646 5.982 ( -2.314 0.000 -1.685) 2.863 6.017 ( -5.470 0.000 -1.564) 5.689 6.044 ( -3.070 0.000 -0.251) 3.080 6.077 ( -5.261 0.000 -0.660) 5.302 6.085 ( -0.523 0.000 -0.542) 0.753 6.117 ( 4.682 0.000 -5.424) 7.165 6.139 ( -0.957 0.000 -6.782) 6.849 6.183 ( 1.302 0.000 -7.811) 7.919 6.188 ( -1.398 0.000 0.629) 1.533 6.310 ( 2.194 0.000 -0.090) 2.195 6.332 ( -3.437 0.000 0.780) 3.524 6.339 ( 2.177 0.000 -4.131) 4.669 6.399 ( -3.492 0.000 -2.775) 4.460 6.434 ( -2.698 0.000 -0.722) 2.793 6.486 ( -7.080 0.000 -2.985) 7.684 6.499 ( 2.097 0.000 -3.573) 4.143 6.501 ( 3.594 0.000 0.433) 3.620 6.558 ( -2.003 0.000 -3.778) 4.276 6.567 ( 1.639 0.000 1.349) 2.123 6.578 ( 0.012 0.000 0.227) 0.227 6.659 ( 1.451 0.000 -2.370) 2.779 6.679 ( -1.755 0.000 -0.800) 1.929 6.725 ( -2.175 0.000 0.177) 2.183 6.753 ( 0.855 0.000 0.790) 1.164 6.791 ( -3.223 0.000 2.666) 4.183 6.817 ( 0.686 0.000 -2.146) 2.253 6.839 ( 0.972 0.000 4.619) 4.720 6.852 ( -2.573 0.000 1.526) 2.992 6.872 ( 2.396 0.000 2.383) 3.380 6.922 ( 0.430 0.000 -1.766) 1.817 6.941 ( 2.320 0.000 -4.534) 5.093 6.972 ( -1.601 0.000 -1.728) 2.355 7.024 ( 1.848 0.000 -0.188) 1.857 7.063 ( -1.351 0.000 1.622) 2.111 7.096 ( 1.017 0.000 0.013) 1.017 7.134 ( 1.150 0.000 -1.973) 2.284 7.170 ( -1.753 0.000 -4.478) 4.808 7.230 ( 0.439 0.000 -2.126) 2.170 7.253 ( 4.803 0.000 -4.472) 6.562 7.327 ( -3.102 0.000 -3.611) 4.760 7.331 ( 1.073 0.000 -1.338) 1.715 7.341 ( -2.947 0.000 -6.026) 6.708 7.364 ( 2.364 0.000 -2.636) 3.541 7.416 ( -3.546 0.000 -2.022) 4.082 7.480 ( -2.177 0.000 -1.311) 2.541 7.506 ( -3.752 0.000 -9.331) 10.057 7.601 ( -3.684 0.000 2.033) 4.208 7.637 ( -0.687 0.000 -5.284) 5.329 7.645 ( -5.004 0.000 -0.925) 5.089 7.649 ( -4.143 0.000 -1.085) 4.283 7.710 ( -2.690 0.000 3.283) 4.244 7.734 ( -1.952 0.000 1.439) 2.424 7.776 ( 1.470 0.000 3.954) 4.219 7.847 ( -0.427 0.000 -0.079) 0.434 7.865 ( -2.269 0.000 1.893) 2.955 7.967 ( 1.397 0.000 0.820) 1.620 7.973 ( 5.665 0.000 -1.540) 5.871 8.013 ( 3.498 0.000 -0.956) 3.627 8.056 ( 7.658 0.000 0.246) 7.662 8.064 ( 7.005 0.000 2.972) 7.609 8.116 ( 5.969 0.000 0.227) 5.973 8.170 ( 3.629 0.000 1.024) 3.771 8.193 ( 0.025 0.000 4.819) 4.819 8.322 ( 4.567 0.000 1.962) 4.970 8.335 ( -12.352 0.000 11.354) 16.778 8.459 ( 1.883 0.000 3.496) 3.971 8.465 ( -5.749 0.000 8.943) 10.631 8.590 ( 1.511 0.000 6.957) 7.119 8.613 ( 3.586 0.000 2.664) 4.468 8.630 ( 2.481 0.000 -2.887) 3.807 8.713 ( -4.175 0.000 -0.185) 4.179 8.758 ( -4.937 0.000 0.158) 4.940 8.800 ( 0.714 0.000 -2.051) 2.171 8.901 ( -4.051 0.000 0.802) 4.130 8.912 ( -0.425 0.000 -1.491) 1.551 8.954 ( -3.568 0.000 -0.990) 3.703 9.013 ( 0.852 0.000 -2.819) 2.944 9.023 ( -0.475 0.000 -1.706) 1.771 9.053 ( -5.551 0.000 5.941) 8.130 9.069 ( 1.374 0.000 1.019) 1.711 9.085 ( -1.359 0.000 -1.092) 1.743 9.405 ( 2.160 0.000 3.930) 4.484 9.436 ( 0.960 0.000 1.030) 1.408 9.473 ( -0.955 0.000 -1.633) 1.892 9.555 ( 3.857 0.000 -1.838) 4.272 9.632 ( 2.258 0.000 1.314) 2.613 9.670 ( -0.652 0.000 4.278) 4.328 9.686 ( -0.200 0.000 4.359) 4.364 9.739 ( 1.768 0.000 5.743) 6.009 9.821 ( 1.899 0.000 -0.582) 1.987 9.854 ( 0.345 0.000 1.201) 1.250 9.883 ( 1.540 0.000 5.723) 5.926 9.920 ( 0.745 0.000 9.125) 9.155 10.278 ( -1.032 0.000 -11.003) 11.052 10.332 ( -3.744 0.000 3.853) 5.372 10.345 ( -3.613 0.000 -3.192) 4.821 10.476 ( 1.016 0.000 1.691) 1.972 10.606 ( -3.235 0.000 -1.438) 3.540 10.608 ( -2.129 0.000 -2.664) 3.411 10.722 ( -2.423 0.000 -7.213) 7.609 10.755 ( 2.259 0.000 1.803) 2.890 10.855 ( 0.010 0.000 -2.207) 2.207 10.941 ( 2.102 0.000 -1.694) 2.699 11.059 ( 2.183 0.000 -5.788) 6.186 11.914 ( 0.539 0.000 -0.212) 0.579 11.939 ( -1.039 0.000 -1.173) 1.567 12.277 ( -0.721 0.000 -4.670) 4.725 12.323 ( -3.152 0.000 -3.351) 4.601 12.413 ( -1.176 0.000 -2.640) 2.891 12.524 ( -3.438 0.000 -0.477) 3.471 12.587 ( -1.062 0.000 4.830) 4.945 12.623 ( -3.631 0.000 -8.537) 9.277 12.747 ( -1.925 0.000 -0.687) 2.043 12.784 ( -0.060 0.000 -1.516) 1.517 12.948 ( 1.627 0.000 -5.666) 5.895 12.972 ( -4.397 0.000 -9.861) 10.797 13.047 ( 0.018 0.000 0.522) 0.522 13.108 ( 0.849 0.000 -0.510) 0.991 13.186 ( 4.153 0.000 -6.074) 7.358 13.189 ( -1.516 0.000 -2.339) 2.787 13.234 ( -4.365 0.000 2.729) 5.148 13.294 ( 3.663 0.000 -1.962) 4.155 13.309 ( 0.502 0.000 -0.334) 0.603 13.372 ( -1.150 0.000 0.266) 1.181 13.627 ( -3.705 0.000 11.528) 12.109 13.663 ( -4.880 0.000 10.055) 11.176 13.709 ( -4.645 0.000 5.497) 7.197 13.749 ( -3.071 0.000 8.270) 8.822 18.900 ( 0.570 0.000 0.489) 0.751 19.032 ( 0.599 0.000 -4.566) 4.605 19.041 ( 0.107 0.000 -1.652) 1.655 19.091 ( 1.918 0.000 -4.102) 4.528 19.178 ( -2.110 0.000 2.747) 3.464 19.216 ( -0.389 0.000 2.638) 2.667 19.271 ( -1.273 0.000 0.621) 1.417 19.317 ( -0.743 0.000 0.164) 0.761 19.626 ( -0.256 0.000 13.532) 13.534 19.769 ( -6.406 0.000 12.791) 14.305 19.786 ( 1.590 0.000 1.552) 2.222 19.826 ( 2.212 0.000 2.650) 3.452 19.980 ( -3.887 0.000 -0.087) 3.888 20.039 ( -3.145 0.000 -2.557) 4.054 20.243 ( -1.290 0.000 -4.007) 4.210 20.472 ( -0.266 0.000 -7.814) 7.818 20.736 ( -4.455 0.000 8.474) 9.574 20.757 ( 1.293 0.000 4.112) 4.310 20.857 ( -0.313 0.000 6.893) 6.900 20.946 ( -5.727 0.000 2.900) 6.419 21.059 ( 4.196 0.000 -1.758) 4.549 21.120 ( -2.482 0.000 0.571) 2.547 21.150 ( 0.224 0.000 -1.446) 1.463 21.273 ( 0.601 0.000 -0.226) 0.642 21.287 ( 0.677 0.000 1.080) 1.275 21.441 ( 1.468 0.000 -4.874) 5.090 21.451 ( 1.466 0.000 -3.900) 4.166 21.465 ( 0.309 0.000 -3.342) 3.356 21.855 ( -3.881 0.000 8.418) 9.269 22.080 ( -7.926 0.000 -4.912) 9.324 22.165 ( -4.097 0.000 -2.587) 4.845 22.638 ( -2.310 0.000 -17.538) 17.689 ======================= Grid point 29 (13/30) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 13.212 0.000 22.875) 26.416 1.496 ( 15.245 0.000 34.684) 37.886 1.738 ( 31.121 0.000 2.983) 31.264 1.928 ( 3.277 0.000 5.700) 6.575 2.190 ( 8.717 0.000 -2.020) 8.948 2.209 ( 1.203 0.000 -0.680) 1.382 2.303 ( 0.908 0.000 -5.507) 5.582 2.347 ( -2.936 0.000 0.102) 2.938 2.377 ( -6.090 0.000 4.376) 7.499 2.436 ( 0.813 0.000 0.770) 1.120 2.503 ( 0.937 0.000 7.603) 7.661 2.635 ( 14.645 0.000 11.589) 18.676 2.663 ( 2.882 0.000 1.620) 3.306 2.775 ( -6.134 0.000 -4.791) 7.784 2.933 ( -4.004 0.000 4.521) 6.039 2.945 ( 1.264 0.000 1.471) 1.940 3.156 ( 0.376 0.000 7.847) 7.856 3.164 ( 13.038 0.000 -3.177) 13.419 3.227 ( -3.989 0.000 -5.401) 6.715 3.283 ( 3.464 0.000 9.092) 9.729 3.353 ( -4.414 0.000 7.622) 8.808 3.360 ( 7.552 0.000 0.819) 7.597 3.426 ( 6.334 0.000 0.795) 6.383 3.437 ( 6.481 0.000 0.986) 6.555 3.446 ( -2.011 0.000 0.131) 2.016 3.521 ( -0.418 0.000 -2.384) 2.420 3.539 ( 3.748 0.000 0.723) 3.817 3.605 ( 2.319 0.000 7.091) 7.461 3.667 ( -0.629 0.000 -0.099) 0.637 3.697 ( -4.306 0.000 -2.765) 5.117 3.805 ( 1.522 0.000 -3.153) 3.501 3.825 ( -3.669 0.000 -0.989) 3.800 3.894 ( -2.768 0.000 -6.158) 6.752 3.948 ( -2.759 0.000 -0.004) 2.759 3.957 ( -2.423 0.000 1.361) 2.779 3.994 ( -3.505 0.000 -0.650) 3.564 4.044 ( 1.387 0.000 -3.278) 3.559 4.140 ( -0.208 0.000 0.465) 0.509 4.144 ( -1.224 0.000 -5.879) 6.006 4.243 ( -3.091 0.000 4.528) 5.482 4.274 ( 13.084 0.000 -0.335) 13.088 4.328 ( 5.737 0.000 2.265) 6.168 4.387 ( 1.851 0.000 4.219) 4.607 4.429 ( -2.713 0.000 3.026) 4.065 4.460 ( 1.070 0.000 10.393) 10.447 4.495 ( 6.555 0.000 4.023) 7.691 4.540 ( 0.922 0.000 1.953) 2.160 4.549 ( 8.763 0.000 -3.567) 9.462 4.598 ( 0.235 0.000 -1.151) 1.175 4.631 ( 4.580 0.000 -4.833) 6.658 4.668 ( 8.132 0.000 -2.252) 8.438 4.754 ( 0.373 0.000 0.482) 0.610 4.761 ( 0.284 0.000 0.330) 0.435 4.799 ( -5.499 0.000 -2.394) 5.997 4.821 ( -3.074 0.000 0.735) 3.161 4.894 ( -2.022 0.000 -3.945) 4.433 4.952 ( -0.098 0.000 7.739) 7.740 4.962 ( 2.901 0.000 2.055) 3.555 5.014 ( -0.221 0.000 1.268) 1.287 5.032 ( -1.159 0.000 2.596) 2.843 5.077 ( 1.094 0.000 -0.641) 1.268 5.126 ( 0.722 0.000 -4.883) 4.936 5.152 ( 2.634 0.000 0.130) 2.637 5.246 ( -0.686 0.000 -0.420) 0.805 5.259 ( 1.276 0.000 -3.615) 3.833 5.319 ( -4.180 0.000 -0.961) 4.289 5.363 ( -1.512 0.000 2.822) 3.202 5.381 ( 2.643 0.000 1.254) 2.925 5.431 ( 1.255 0.000 -0.535) 1.364 5.466 ( 1.228 0.000 0.172) 1.240 5.592 ( -1.272 0.000 -6.047) 6.179 5.620 ( 1.721 0.000 -0.473) 1.785 5.637 ( -0.582 0.000 0.464) 0.744 5.664 ( 0.464 0.000 2.654) 2.694 5.699 ( -2.298 0.000 0.285) 2.315 5.734 ( 1.256 0.000 -2.056) 2.409 5.793 ( 0.840 0.000 1.674) 1.873 5.802 ( -1.344 0.000 -1.984) 2.397 5.822 ( -7.247 0.000 1.535) 7.408 5.838 ( -2.925 0.000 -1.999) 3.543 5.875 ( -2.307 0.000 1.722) 2.879 5.981 ( -0.131 0.000 4.383) 4.384 6.028 ( -1.565 0.000 -2.320) 2.799 6.051 ( 0.164 0.000 -2.223) 2.229 6.073 ( 2.030 0.000 -4.848) 5.256 6.091 ( -4.227 0.000 0.170) 4.231 6.130 ( -1.740 0.000 0.179) 1.749 6.154 ( -1.807 0.000 -6.539) 6.785 6.219 ( -3.664 0.000 3.547) 5.100 6.219 ( -3.023 0.000 1.302) 3.292 6.240 ( -0.072 0.000 -1.525) 1.527 6.289 ( -7.036 0.000 0.113) 7.037 6.352 ( -3.944 0.000 2.783) 4.827 6.417 ( -1.338 0.000 -11.532) 11.610 6.454 ( 2.823 0.000 -0.432) 2.856 6.496 ( -1.859 0.000 -6.119) 6.396 6.514 ( -2.003 0.000 -0.780) 2.149 6.528 ( -4.703 0.000 -5.938) 7.574 6.550 ( 1.870 0.000 0.973) 2.108 6.574 ( -0.171 0.000 5.906) 5.909 6.669 ( -2.243 0.000 0.118) 2.246 6.674 ( 2.276 0.000 1.132) 2.543 6.719 ( 2.757 0.000 -2.828) 3.950 6.769 ( 0.644 0.000 4.636) 4.681 6.771 ( 0.832 0.000 1.848) 2.027 6.797 ( -3.280 0.000 3.650) 4.907 6.802 ( -2.492 0.000 -2.935) 3.850 6.807 ( -0.916 0.000 2.672) 2.824 6.871 ( -3.043 0.000 7.748) 8.324 6.959 ( 3.188 0.000 -1.072) 3.363 6.960 ( -3.149 0.000 -7.084) 7.752 7.020 ( 2.650 0.000 2.684) 3.772 7.022 ( 0.162 0.000 -1.155) 1.166 7.075 ( -2.476 0.000 -2.776) 3.720 7.078 ( -1.553 0.000 -0.788) 1.742 7.084 ( 2.079 0.000 -0.411) 2.119 7.206 ( 2.217 0.000 -4.095) 4.657 7.227 ( 3.248 0.000 -2.995) 4.418 7.282 ( -0.779 0.000 -2.971) 3.072 7.284 ( 0.925 0.000 0.640) 1.125 7.324 ( 1.274 0.000 -2.409) 2.725 7.393 ( 1.534 0.000 -1.624) 2.234 7.393 ( -0.020 0.000 0.677) 0.677 7.420 ( 0.563 0.000 -2.238) 2.308 7.457 ( 0.331 0.000 -1.969) 1.996 7.464 ( -0.905 0.000 -4.035) 4.135 7.531 ( -1.065 0.000 0.535) 1.192 7.550 ( -3.509 0.000 -5.941) 6.900 7.568 ( -1.180 0.000 2.966) 3.192 7.628 ( 0.960 0.000 0.365) 1.028 7.729 ( 0.834 0.000 -1.764) 1.951 7.737 ( 0.549 0.000 -1.970) 2.045 7.797 ( -0.843 0.000 4.029) 4.117 7.841 ( 2.008 0.000 1.651) 2.600 7.858 ( 3.701 0.000 0.765) 3.779 7.915 ( -3.404 0.000 3.334) 4.764 8.044 ( -0.486 0.000 2.008) 2.066 8.049 ( -5.137 0.000 5.268) 7.358 8.118 ( 0.457 0.000 -1.434) 1.505 8.148 ( 0.036 0.000 1.499) 1.499 8.174 ( 0.524 0.000 2.316) 2.374 8.200 ( 0.728 0.000 0.423) 0.842 8.259 ( 4.038 0.000 -1.380) 4.268 8.273 ( 2.656 0.000 0.476) 2.698 8.372 ( 2.438 0.000 0.368) 2.465 8.442 ( 0.436 0.000 -0.992) 1.084 8.560 ( -5.191 0.000 -2.064) 5.586 8.571 ( 6.109 0.000 -1.350) 6.256 8.594 ( -0.511 0.000 4.207) 4.238 8.678 ( 2.213 0.000 1.892) 2.911 8.689 ( -2.189 0.000 -1.210) 2.501 8.712 ( 0.968 0.000 -2.175) 2.381 8.746 ( -3.002 0.000 -1.352) 3.293 8.834 ( -4.958 0.000 2.182) 5.417 8.836 ( -5.321 0.000 -0.172) 5.323 8.902 ( -8.417 0.000 -0.770) 8.452 8.922 ( 1.292 0.000 -1.752) 2.177 9.006 ( 1.255 0.000 0.541) 1.367 9.040 ( -3.629 0.000 2.513) 4.414 9.074 ( 3.043 0.000 -4.186) 5.175 9.136 ( 4.606 0.000 -1.281) 4.781 9.427 ( -1.955 0.000 0.534) 2.027 9.456 ( 0.453 0.000 -0.100) 0.464 9.465 ( 3.265 0.000 1.428) 3.563 9.616 ( 0.630 0.000 -1.332) 1.473 9.648 ( -1.064 0.000 1.349) 1.718 9.669 ( 0.833 0.000 2.551) 2.683 9.674 ( 0.220 0.000 1.719) 1.733 9.769 ( 1.465 0.000 2.452) 2.856 9.858 ( 2.307 0.000 -0.881) 2.470 9.910 ( 0.362 0.000 2.571) 2.597 9.917 ( 5.038 0.000 -2.095) 5.456 9.946 ( 0.956 0.000 4.675) 4.772 10.136 ( -8.260 0.000 -15.315) 17.400 10.243 ( -5.468 0.000 -3.988) 6.768 10.384 ( 4.203 0.000 5.222) 6.703 10.504 ( -1.188 0.000 -2.730) 2.977 10.532 ( -1.250 0.000 0.190) 1.265 10.574 ( -0.780 0.000 -2.046) 2.190 10.668 ( -2.098 0.000 -5.992) 6.349 10.762 ( -2.677 0.000 3.976) 4.793 10.845 ( -1.437 0.000 1.390) 1.999 10.937 ( -2.665 0.000 1.184) 2.916 10.939 ( -8.133 0.000 4.755) 9.421 11.920 ( -0.522 0.000 -0.423) 0.672 11.935 ( 1.566 0.000 -0.320) 1.598 12.195 ( -7.085 0.000 0.343) 7.094 12.237 ( -3.291 0.000 -2.328) 4.031 12.407 ( 0.825 0.000 -1.398) 1.623 12.538 ( -2.539 0.000 -2.754) 3.745 12.553 ( 3.145 0.000 -3.395) 4.628 12.580 ( -0.019 0.000 -1.591) 1.591 12.738 ( 1.261 0.000 -0.656) 1.422 12.801 ( 1.643 0.000 0.049) 1.644 12.873 ( -3.900 0.000 -4.854) 6.227 12.984 ( 1.614 0.000 -4.087) 4.394 13.061 ( 0.020 0.000 1.946) 1.946 13.086 ( -5.849 0.000 5.167) 7.805 13.132 ( 1.324 0.000 -1.116) 1.732 13.192 ( -1.631 0.000 -2.395) 2.897 13.198 ( 0.354 0.000 -3.604) 3.621 13.322 ( -0.078 0.000 0.392) 0.400 13.358 ( -1.330 0.000 2.693) 3.003 13.371 ( 2.797 0.000 -2.473) 3.733 13.526 ( -5.492 0.000 9.396) 10.883 13.541 ( -5.889 0.000 7.881) 9.838 13.599 ( -4.665 0.000 -0.248) 4.672 13.664 ( -4.621 0.000 5.485) 7.172 18.917 ( 1.099 0.000 0.722) 1.315 19.044 ( 0.073 0.000 -0.991) 0.993 19.058 ( 1.721 0.000 -4.607) 4.918 19.126 ( -2.407 0.000 2.467) 3.447 19.131 ( 1.731 0.000 -3.498) 3.903 19.212 ( 0.063 0.000 0.045) 0.077 19.234 ( -2.156 0.000 0.689) 2.264 19.298 ( -1.010 0.000 -0.348) 1.068 19.628 ( 0.710 0.000 11.152) 11.175 19.719 ( 0.296 0.000 11.528) 11.532 19.838 ( 3.332 0.000 0.472) 3.365 19.882 ( -4.947 0.000 1.402) 5.141 19.899 ( 4.651 0.000 0.607) 4.691 19.969 ( -3.444 0.000 -1.216) 3.653 20.200 ( -2.820 0.000 -3.086) 4.181 20.447 ( -2.636 0.000 -10.537) 10.862 20.719 ( 1.753 0.000 5.823) 6.081 20.780 ( 0.160 0.000 3.955) 3.958 20.855 ( -1.667 0.000 4.250) 4.565 20.904 ( 3.997 0.000 1.847) 4.403 21.029 ( -5.085 0.000 3.120) 5.966 21.097 ( -1.238 0.000 -3.423) 3.640 21.155 ( -0.427 0.000 -0.568) 0.711 21.292 ( 1.055 0.000 -0.136) 1.063 21.303 ( 0.858 0.000 0.909) 1.250 21.412 ( -1.685 0.000 -1.520) 2.269 21.452 ( -0.745 0.000 -6.243) 6.287 21.525 ( 2.193 0.000 -3.828) 4.412 21.752 ( -4.686 0.000 8.451) 9.663 21.838 ( -12.679 0.000 -1.445) 12.761 22.051 ( -6.467 0.000 -3.666) 7.433 22.439 ( -14.028 0.000 -11.121) 17.901 ======================= Grid point 30 (14/30) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 15.296 0.000 17.402) 23.169 1.816 ( 13.130 0.000 18.345) 22.559 1.976 ( -3.563 0.000 6.488) 7.402 2.050 ( -0.674 0.000 -0.258) 0.721 2.103 ( -4.513 0.000 0.842) 4.591 2.239 ( -5.289 0.000 2.816) 5.992 2.359 ( 5.643 0.000 -2.629) 6.226 2.400 ( 5.151 0.000 -6.848) 8.569 2.401 ( 4.015 0.000 1.213) 4.194 2.497 ( -1.101 0.000 3.032) 3.226 2.553 ( 10.588 0.000 -0.817) 10.620 2.719 ( 2.638 0.000 -3.053) 4.035 2.801 ( 8.772 0.000 4.195) 9.723 2.851 ( 1.445 0.000 6.830) 6.981 2.918 ( 5.428 0.000 0.790) 5.485 2.972 ( 1.227 0.000 3.543) 3.749 3.078 ( -4.639 0.000 -0.377) 4.655 3.172 ( 0.367 0.000 7.196) 7.205 3.300 ( -1.294 0.000 1.457) 1.949 3.335 ( -2.248 0.000 5.929) 6.341 3.366 ( -4.643 0.000 0.143) 4.645 3.437 ( 1.030 0.000 0.974) 1.418 3.454 ( 9.314 0.000 -3.875) 10.088 3.499 ( 1.721 0.000 4.307) 4.638 3.577 ( -1.598 0.000 -1.194) 1.995 3.577 ( 2.307 0.000 -1.046) 2.533 3.590 ( -0.327 0.000 -4.233) 4.245 3.634 ( 2.451 0.000 -2.876) 3.779 3.699 ( 9.153 0.000 5.009) 10.434 3.703 ( -1.489 0.000 -0.267) 1.512 3.758 ( -2.222 0.000 -1.143) 2.499 3.763 ( 4.859 0.000 3.641) 6.072 3.820 ( -2.182 0.000 4.773) 5.248 3.901 ( 2.747 0.000 0.881) 2.884 3.970 ( 2.328 0.000 -0.249) 2.341 4.021 ( 3.644 0.000 1.323) 3.877 4.036 ( 0.235 0.000 0.486) 0.540 4.088 ( -4.661 0.000 -7.036) 8.440 4.136 ( -0.030 0.000 -0.517) 0.518 4.190 ( 0.588 0.000 3.392) 3.443 4.289 ( -7.725 0.000 -4.043) 8.719 4.322 ( -5.189 0.000 2.365) 5.703 4.401 ( -4.205 0.000 3.936) 5.760 4.509 ( 5.413 0.000 -0.183) 5.417 4.510 ( 3.933 0.000 3.144) 5.035 4.544 ( -2.966 0.000 -0.595) 3.025 4.608 ( -4.072 0.000 0.324) 4.084 4.616 ( 6.588 0.000 4.413) 7.930 4.636 ( -5.159 0.000 -4.348) 6.747 4.668 ( 0.248 0.000 -3.254) 3.264 4.701 ( -3.484 0.000 -1.824) 3.932 4.724 ( 2.040 0.000 -2.054) 2.894 4.756 ( -0.655 0.000 -4.640) 4.686 4.777 ( 2.403 0.000 1.427) 2.795 4.843 ( -0.778 0.000 3.682) 3.764 4.858 ( 1.533 0.000 0.391) 1.582 4.949 ( 8.880 0.000 0.159) 8.881 4.968 ( -3.751 0.000 -0.728) 3.821 4.993 ( -1.702 0.000 1.126) 2.041 5.075 ( 1.860 0.000 0.816) 2.031 5.143 ( 4.980 0.000 0.877) 5.056 5.164 ( 6.047 0.000 -1.456) 6.220 5.241 ( 2.113 0.000 1.540) 2.614 5.284 ( 0.754 0.000 -4.874) 4.932 5.306 ( 3.300 0.000 5.782) 6.657 5.330 ( 4.863 0.000 2.230) 5.350 5.403 ( 1.676 0.000 6.367) 6.584 5.414 ( 5.399 0.000 2.569) 5.979 5.432 ( -0.091 0.000 4.946) 4.947 5.512 ( 1.174 0.000 0.592) 1.315 5.558 ( -2.054 0.000 -3.975) 4.475 5.560 ( -2.129 0.000 -5.514) 5.911 5.602 ( -3.461 0.000 0.728) 3.537 5.633 ( -6.631 0.000 -1.145) 6.729 5.669 ( 1.455 0.000 6.225) 6.393 5.705 ( -0.264 0.000 5.862) 5.868 5.727 ( -0.740 0.000 -4.679) 4.737 5.777 ( -0.509 0.000 -4.490) 4.519 5.812 ( -0.184 0.000 -0.808) 0.829 5.863 ( 1.222 0.000 -0.821) 1.472 5.875 ( -4.305 0.000 -2.992) 5.242 5.908 ( -4.956 0.000 2.488) 5.546 5.967 ( 0.364 0.000 4.472) 4.487 6.019 ( 0.007 0.000 -4.182) 4.182 6.026 ( -3.135 0.000 2.950) 4.305 6.085 ( -1.661 0.000 5.450) 5.698 6.092 ( -2.257 0.000 -0.029) 2.257 6.130 ( -3.250 0.000 1.347) 3.518 6.148 ( 0.165 0.000 -5.884) 5.887 6.192 ( 0.961 0.000 5.994) 6.071 6.208 ( -4.564 0.000 -1.850) 4.925 6.232 ( 1.599 0.000 4.070) 4.373 6.331 ( 0.423 0.000 1.641) 1.695 6.372 ( -6.196 0.000 -4.632) 7.736 6.372 ( -6.238 0.000 -4.618) 7.762 6.389 ( -1.781 0.000 -3.192) 3.656 6.494 ( -1.224 0.000 2.454) 2.742 6.523 ( 3.170 0.000 -2.168) 3.841 6.567 ( -0.085 0.000 -0.218) 0.234 6.586 ( 3.848 0.000 0.100) 3.850 6.675 ( -4.436 0.000 -0.175) 4.439 6.691 ( -1.556 0.000 -0.642) 1.683 6.692 ( 0.272 0.000 -3.942) 3.951 6.749 ( -2.402 0.000 1.580) 2.875 6.763 ( -2.510 0.000 -0.388) 2.540 6.776 ( 1.612 0.000 -2.461) 2.942 6.808 ( 0.989 0.000 2.442) 2.635 6.817 ( 3.823 0.000 2.738) 4.702 6.863 ( 1.779 0.000 3.397) 3.835 6.914 ( 0.870 0.000 -2.728) 2.863 6.937 ( -4.113 0.000 2.389) 4.757 7.027 ( 1.920 0.000 -1.050) 2.188 7.049 ( 1.691 0.000 3.683) 4.052 7.081 ( 0.243 0.000 -2.259) 2.272 7.138 ( 1.535 0.000 -0.849) 1.754 7.152 ( 1.903 0.000 1.252) 2.278 7.158 ( 4.171 0.000 -1.008) 4.291 7.271 ( -3.716 0.000 3.101) 4.840 7.289 ( -2.422 0.000 -3.776) 4.486 7.319 ( 3.265 0.000 -2.424) 4.066 7.327 ( -1.267 0.000 -0.723) 1.459 7.383 ( -0.685 0.000 -2.239) 2.341 7.419 ( 0.997 0.000 0.218) 1.021 7.426 ( 0.554 0.000 -0.441) 0.708 7.475 ( 0.230 0.000 -0.093) 0.248 7.484 ( 2.901 0.000 -0.187) 2.907 7.512 ( 0.322 0.000 -5.597) 5.606 7.543 ( 0.443 0.000 -1.274) 1.349 7.590 ( 3.016 0.000 2.595) 3.979 7.663 ( 1.495 0.000 0.640) 1.626 7.717 ( -5.084 0.000 -1.884) 5.422 7.749 ( -1.941 0.000 0.456) 1.994 7.782 ( 5.206 0.000 -2.865) 5.943 7.815 ( 0.009 0.000 -0.919) 0.919 7.892 ( -5.762 0.000 0.205) 5.766 7.924 ( 4.175 0.000 0.661) 4.227 8.007 ( -1.907 0.000 2.054) 2.803 8.034 ( 4.759 0.000 -1.248) 4.920 8.067 ( -5.679 0.000 -0.233) 5.684 8.108 ( -0.398 0.000 -0.740) 0.841 8.131 ( -2.471 0.000 -1.919) 3.128 8.206 ( 0.033 0.000 4.169) 4.169 8.268 ( -1.659 0.000 -2.073) 2.655 8.345 ( 3.694 0.000 -0.611) 3.744 8.373 ( -5.071 0.000 1.522) 5.294 8.460 ( 0.702 0.000 -1.673) 1.815 8.474 ( -3.286 0.000 -2.166) 3.935 8.502 ( -9.291 0.000 1.714) 9.448 8.623 ( 0.217 0.000 -3.127) 3.135 8.688 ( -2.348 0.000 -1.304) 2.686 8.701 ( 1.520 0.000 -2.889) 3.264 8.722 ( -1.161 0.000 -3.425) 3.616 8.741 ( 3.633 0.000 3.049) 4.743 8.745 ( -1.930 0.000 -2.984) 3.554 8.765 ( -0.250 0.000 -2.642) 2.654 8.813 ( 1.090 0.000 -1.487) 1.843 8.863 ( -4.662 0.000 -3.136) 5.618 8.947 ( -4.413 0.000 3.858) 5.862 9.074 ( 3.876 0.000 1.248) 4.072 9.145 ( 3.300 0.000 -5.465) 6.384 9.261 ( 6.945 0.000 -1.861) 7.190 9.378 ( -1.456 0.000 -2.095) 2.551 9.505 ( -1.340 0.000 -1.956) 2.371 9.513 ( 4.298 0.000 1.720) 4.629 9.580 ( -5.656 0.000 -3.072) 6.437 9.610 ( 1.250 0.000 1.918) 2.290 9.676 ( -1.049 0.000 3.724) 3.869 9.689 ( -0.034 0.000 -0.414) 0.416 9.802 ( 1.245 0.000 -0.976) 1.582 9.864 ( -4.160 0.000 -4.033) 5.794 9.927 ( 3.962 0.000 -2.059) 4.465 9.958 ( 0.632 0.000 1.901) 2.003 10.008 ( -2.543 0.000 -2.614) 3.647 10.044 ( 5.840 0.000 -5.218) 7.832 10.137 ( -3.503 0.000 -3.132) 4.699 10.387 ( -6.971 0.000 -6.885) 9.797 10.476 ( 4.011 0.000 2.534) 4.744 10.583 ( 3.211 0.000 0.015) 3.212 10.584 ( 1.472 0.000 -0.367) 1.517 10.650 ( 0.525 0.000 -1.729) 1.807 10.658 ( -4.560 0.000 3.861) 5.975 10.783 ( -4.019 0.000 0.132) 4.021 10.807 ( -5.313 0.000 5.010) 7.302 10.849 ( -4.978 0.000 2.176) 5.433 11.925 ( 1.102 0.000 0.635) 1.272 11.980 ( 2.674 0.000 -0.452) 2.712 12.061 ( -5.381 0.000 0.795) 5.439 12.146 ( -4.824 0.000 -1.180) 4.966 12.446 ( 2.600 0.000 1.820) 3.174 12.534 ( 1.959 0.000 0.373) 1.994 12.565 ( -1.891 0.000 2.234) 2.927 12.591 ( 0.573 0.000 0.658) 0.873 12.812 ( -0.839 0.000 -0.829) 1.179 12.838 ( 7.563 0.000 -1.060) 7.637 12.851 ( 1.699 0.000 2.261) 2.828 12.976 ( -4.051 0.000 5.240) 6.623 13.018 ( 1.724 0.000 -1.497) 2.283 13.037 ( -2.195 0.000 4.361) 4.882 13.155 ( 0.193 0.000 -2.280) 2.288 13.169 ( 0.004 0.000 0.093) 0.093 13.228 ( 2.251 0.000 -3.090) 3.823 13.254 ( -5.904 0.000 6.199) 8.561 13.296 ( -5.253 0.000 1.388) 5.433 13.370 ( -3.507 0.000 1.621) 3.864 13.446 ( -0.233 0.000 2.399) 2.410 13.473 ( 0.505 0.000 -0.352) 0.615 13.534 ( -2.140 0.000 -3.646) 4.228 13.570 ( -3.814 0.000 1.747) 4.195 18.946 ( 1.580 0.000 1.037) 1.890 19.028 ( -1.786 0.000 0.629) 1.893 19.099 ( 2.034 0.000 -4.037) 4.521 19.101 ( 0.484 0.000 1.223) 1.315 19.153 ( 0.114 0.000 -2.260) 2.263 19.183 ( -2.503 0.000 0.678) 2.593 19.224 ( 1.075 0.000 -2.582) 2.797 19.276 ( -1.080 0.000 -1.373) 1.747 19.657 ( 1.880 0.000 8.256) 8.467 19.747 ( 1.740 0.000 7.346) 7.549 19.787 ( -3.473 0.000 4.475) 5.665 19.893 ( -3.724 0.000 1.737) 4.109 19.923 ( 4.578 0.000 -0.601) 4.618 20.021 ( 6.790 0.000 -2.163) 7.126 20.125 ( -4.154 0.000 -2.054) 4.634 20.346 ( -6.735 0.000 -9.515) 11.658 20.775 ( 0.433 0.000 6.802) 6.816 20.787 ( 4.384 0.000 2.830) 5.218 20.853 ( -1.017 0.000 -0.682) 1.225 20.959 ( 0.216 0.000 4.768) 4.773 21.015 ( 0.221 0.000 -1.939) 1.952 21.025 ( 1.487 0.000 -1.530) 2.134 21.116 ( -3.382 0.000 -1.331) 3.634 21.316 ( 0.970 0.000 -0.738) 1.218 21.324 ( 1.160 0.000 0.440) 1.241 21.382 ( -1.793 0.000 -0.756) 1.946 21.408 ( -2.855 0.000 -3.849) 4.793 21.456 ( -9.537 0.000 -6.482) 11.531 21.705 ( 0.615 0.000 5.406) 5.441 21.705 ( 2.737 0.000 2.949) 4.024 21.903 ( -7.126 0.000 -2.378) 7.512 22.122 ( -14.670 0.000 -5.665) 15.726 ======================= Grid point 31 (15/30) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -15.500 0.000 11.502) 19.301 1.723 ( 15.500 0.000 11.502) 19.301 1.990 ( -4.220 0.000 4.615) 6.253 1.990 ( 4.220 0.000 4.615) 6.253 2.139 ( -3.964 0.000 2.370) 4.618 2.139 ( 3.964 0.000 2.370) 4.618 2.466 ( -2.036 0.000 0.117) 2.039 2.466 ( 2.036 0.000 0.117) 2.039 2.467 ( -2.440 0.000 -2.231) 3.306 2.467 ( 2.440 0.000 -2.231) 3.306 2.643 ( -10.631 0.000 1.942) 10.807 2.643 ( 10.631 0.000 1.942) 10.807 2.937 ( -6.139 0.000 -5.046) 7.947 2.937 ( 6.139 0.000 -5.046) 7.947 2.961 ( -4.133 0.000 4.009) 5.758 2.961 ( 4.133 0.000 4.009) 5.758 3.208 ( -5.267 0.000 5.440) 7.572 3.208 ( 5.267 0.000 5.440) 7.572 3.254 ( -7.174 0.000 3.109) 7.819 3.254 ( 7.174 0.000 3.109) 7.819 3.312 ( -11.102 0.000 -3.322) 11.588 3.312 ( 11.102 0.000 -3.322) 11.588 3.489 ( -2.524 0.000 6.333) 6.817 3.489 ( 2.524 0.000 6.333) 6.817 3.613 ( -2.886 0.000 -4.209) 5.104 3.613 ( 2.886 0.000 -4.209) 5.104 3.638 ( -0.718 0.000 2.075) 2.196 3.638 ( 0.718 0.000 2.075) 2.196 3.706 ( -6.727 0.000 5.791) 8.876 3.706 ( 6.727 0.000 5.791) 8.876 3.846 ( -4.229 0.000 -0.088) 4.230 3.846 ( 4.229 0.000 -0.088) 4.230 3.858 ( -5.630 0.000 -0.383) 5.643 3.858 ( 5.630 0.000 -0.383) 5.643 4.000 ( -1.914 0.000 -4.159) 4.578 4.000 ( 1.914 0.000 -4.159) 4.578 4.133 ( -1.417 0.000 -1.539) 2.092 4.133 ( 1.417 0.000 -1.539) 2.092 4.209 ( -8.806 0.000 -6.440) 10.910 4.209 ( 8.806 0.000 -6.440) 10.910 4.245 ( -4.799 0.000 8.337) 9.620 4.245 ( 4.799 0.000 8.337) 9.620 4.268 ( -12.837 0.000 -0.003) 12.837 4.268 ( 12.837 0.000 -0.003) 12.837 4.551 ( -2.079 0.000 3.238) 3.848 4.551 ( 2.079 0.000 3.238) 3.848 4.586 ( -1.794 0.000 -3.093) 3.575 4.586 ( 1.794 0.000 -3.093) 3.575 4.648 ( -2.544 0.000 -3.125) 4.030 4.648 ( 2.544 0.000 -3.125) 4.030 4.721 ( -2.514 0.000 1.323) 2.841 4.721 ( 2.514 0.000 1.323) 2.841 4.826 ( -6.504 0.000 -3.547) 7.408 4.826 ( 6.504 0.000 -3.547) 7.408 4.828 ( -2.819 0.000 1.501) 3.194 4.828 ( 2.820 0.000 1.501) 3.194 4.991 ( -7.755 0.000 3.014) 8.320 4.991 ( 7.755 0.000 3.014) 8.320 5.041 ( -2.595 0.000 0.357) 2.619 5.041 ( 2.595 0.000 0.357) 2.619 5.254 ( -4.281 0.000 -1.872) 4.673 5.254 ( 4.281 0.000 -1.872) 4.673 5.259 ( -1.928 0.000 -0.048) 1.929 5.259 ( 1.928 0.000 -0.048) 1.929 5.359 ( -4.650 0.000 3.524) 5.835 5.359 ( 4.650 0.000 3.524) 5.835 5.415 ( -2.173 0.000 1.542) 2.665 5.415 ( 2.173 0.000 1.542) 2.665 5.508 ( -4.821 0.000 1.486) 5.045 5.508 ( 4.821 0.000 1.486) 5.045 5.532 ( -2.746 0.000 0.484) 2.788 5.532 ( 2.746 0.000 0.484) 2.788 5.642 ( -5.445 0.000 3.183) 6.308 5.642 ( 5.445 0.000 3.183) 6.308 5.682 ( -9.806 0.000 1.412) 9.907 5.682 ( 9.806 0.000 1.412) 9.907 5.745 ( -4.330 0.000 1.682) 4.645 5.745 ( 4.330 0.000 1.682) 4.645 5.769 ( -5.822 0.000 0.483) 5.842 5.769 ( 5.822 0.000 0.482) 5.842 5.826 ( -1.801 0.000 1.662) 2.451 5.826 ( 1.801 0.000 1.662) 2.451 6.014 ( -2.032 0.000 -3.775) 4.287 6.014 ( 2.032 0.000 -3.775) 4.287 6.053 ( -4.525 0.000 3.345) 5.627 6.053 ( 4.525 0.000 3.345) 5.627 6.080 ( -1.928 0.000 1.980) 2.764 6.080 ( 1.928 0.000 1.980) 2.764 6.162 ( -5.624 0.000 -1.428) 5.802 6.162 ( 5.624 0.000 -1.428) 5.802 6.217 ( -5.065 0.000 -3.720) 6.284 6.217 ( 5.065 0.000 -3.720) 6.284 6.244 ( -0.475 0.000 3.453) 3.486 6.244 ( 0.475 0.000 3.453) 3.486 6.383 ( -0.702 0.000 0.372) 0.795 6.383 ( 0.702 0.000 0.372) 0.795 6.554 ( -5.013 0.000 -0.231) 5.018 6.554 ( 5.013 0.000 -0.231) 5.018 6.571 ( -1.087 0.000 -0.196) 1.104 6.571 ( 1.087 0.000 -0.196) 1.104 6.663 ( -2.206 0.000 -1.704) 2.788 6.663 ( 2.206 0.000 -1.704) 2.788 6.693 ( -2.928 0.000 -2.892) 4.116 6.693 ( 2.928 0.000 -2.892) 4.116 6.777 ( -3.607 0.000 0.719) 3.677 6.777 ( 3.607 0.000 0.719) 3.677 6.831 ( -0.752 0.000 1.224) 1.436 6.831 ( 0.752 0.000 1.224) 1.436 6.926 ( -6.000 0.000 3.575) 6.984 6.926 ( 6.000 0.000 3.575) 6.984 6.930 ( -2.684 0.000 0.153) 2.689 6.930 ( 2.684 0.000 0.153) 2.689 7.144 ( -6.273 0.000 2.173) 6.639 7.144 ( 6.273 0.000 2.173) 6.639 7.146 ( -4.004 0.000 -0.764) 4.076 7.146 ( 4.004 0.000 -0.764) 4.076 7.219 ( -5.771 0.000 -0.904) 5.842 7.219 ( 5.771 0.000 -0.904) 5.842 7.274 ( -5.724 0.000 2.164) 6.119 7.274 ( 5.724 0.000 2.164) 6.119 7.357 ( -5.764 0.000 -2.501) 6.283 7.357 ( 5.764 0.000 -2.501) 6.283 7.424 ( -1.235 0.000 -3.026) 3.269 7.424 ( 1.235 0.000 -3.026) 3.269 7.502 ( -2.190 0.000 -2.578) 3.382 7.502 ( 2.190 0.000 -2.578) 3.382 7.530 ( -1.237 0.000 -1.217) 1.735 7.530 ( 1.237 0.000 -1.217) 1.735 7.641 ( -2.736 0.000 -0.369) 2.761 7.641 ( 2.736 0.000 -0.369) 2.761 7.680 ( -4.321 0.000 0.803) 4.394 7.680 ( 4.321 0.000 0.803) 4.394 7.843 ( -0.101 0.000 -1.305) 1.308 7.843 ( 0.101 0.000 -1.305) 1.308 7.934 ( -4.014 0.000 -1.335) 4.230 7.934 ( 4.014 0.000 -1.335) 4.230 7.996 ( -1.272 0.000 -1.652) 2.085 7.996 ( 1.272 0.000 -1.652) 2.085 8.072 ( -2.997 0.000 -2.816) 4.112 8.072 ( 2.997 0.000 -2.816) 4.112 8.156 ( -6.343 0.000 0.353) 6.353 8.156 ( 6.343 0.000 0.353) 6.353 8.306 ( -5.048 0.000 3.183) 5.968 8.306 ( 5.048 0.000 3.183) 5.968 8.339 ( -6.145 0.000 -2.306) 6.563 8.339 ( 6.145 0.000 -2.306) 6.563 8.442 ( -2.192 0.000 1.988) 2.960 8.442 ( 2.192 0.000 1.988) 2.960 8.659 ( -2.256 0.000 -3.103) 3.836 8.659 ( 2.256 0.000 -3.103) 3.836 8.683 ( -1.678 0.000 -4.268) 4.586 8.683 ( 1.678 0.000 -4.268) 4.586 8.785 ( -0.930 0.000 0.322) 0.984 8.785 ( 0.930 0.000 0.322) 0.984 8.789 ( -2.266 0.000 -4.763) 5.274 8.789 ( 2.266 0.000 -4.763) 5.274 8.860 ( -3.744 0.000 0.495) 3.776 8.860 ( 3.744 0.000 0.495) 3.776 9.152 ( -2.812 0.000 0.572) 2.870 9.152 ( 2.812 0.000 0.572) 2.870 9.410 ( -6.478 0.000 -2.097) 6.809 9.410 ( 6.478 0.000 -2.097) 6.809 9.431 ( -6.473 0.000 -8.269) 10.501 9.431 ( 6.473 0.000 -8.269) 10.501 9.611 ( -4.392 0.000 4.166) 6.053 9.611 ( 4.392 0.000 4.166) 6.053 9.661 ( -2.378 0.000 0.556) 2.442 9.661 ( 2.378 0.000 0.556) 2.442 9.818 ( -0.670 0.000 -2.849) 2.927 9.818 ( 0.670 0.000 -2.849) 2.927 9.978 ( -1.080 0.000 2.289) 2.531 9.978 ( 1.080 0.000 2.289) 2.531 10.016 ( -4.308 0.000 -3.236) 5.388 10.016 ( 4.308 0.000 -3.236) 5.388 10.229 ( -7.701 0.000 -6.420) 10.026 10.229 ( 7.701 0.000 -6.420) 10.026 10.547 ( -3.169 0.000 0.479) 3.205 10.547 ( 3.169 0.000 0.479) 3.205 10.648 ( -2.464 0.000 -0.236) 2.475 10.648 ( 2.464 0.000 -0.236) 2.475 10.692 ( -5.233 0.000 3.611) 6.358 10.692 ( 5.233 0.000 3.611) 6.358 10.752 ( -3.034 0.000 0.337) 3.052 10.752 ( 3.034 0.000 0.337) 3.052 11.970 ( -3.218 0.000 1.004) 3.371 11.970 ( 3.218 0.000 1.004) 3.371 12.050 ( -3.973 0.000 -0.746) 4.042 12.050 ( 3.973 0.000 -0.746) 4.042 12.508 ( -3.051 0.000 3.422) 4.584 12.508 ( 3.051 0.000 3.422) 4.584 12.583 ( -1.661 0.000 2.527) 3.024 12.583 ( 1.661 0.000 2.527) 3.024 12.831 ( -2.530 0.000 2.492) 3.551 12.831 ( 2.530 0.000 2.492) 3.551 12.976 ( -3.078 0.000 4.642) 5.570 12.976 ( 3.078 0.000 4.642) 5.570 13.002 ( -5.932 0.000 2.293) 6.360 13.002 ( 5.932 0.000 2.293) 6.360 13.154 ( -2.256 0.000 -0.049) 2.256 13.154 ( 2.256 0.000 -0.049) 2.256 13.194 ( -2.261 0.000 0.740) 2.379 13.194 ( 2.261 0.000 0.740) 2.379 13.288 ( -3.454 0.000 -0.926) 3.576 13.288 ( 3.454 0.000 -0.926) 3.576 13.484 ( -2.582 0.000 -1.995) 3.263 13.484 ( 2.582 0.000 -1.995) 3.263 13.508 ( -2.235 0.000 -0.942) 2.425 13.508 ( 2.235 0.000 -0.942) 2.425 18.984 ( -2.052 0.000 1.219) 2.387 18.984 ( 2.052 0.000 1.219) 2.387 19.133 ( -2.138 0.000 0.707) 2.252 19.133 ( 2.138 0.000 0.707) 2.252 19.137 ( -1.431 0.000 -2.967) 3.295 19.137 ( 1.431 0.000 -2.967) 3.295 19.251 ( -1.293 0.000 -2.525) 2.837 19.251 ( 1.293 0.000 -2.525) 2.837 19.707 ( -2.847 0.000 5.474) 6.170 19.707 ( 2.847 0.000 5.474) 6.170 19.816 ( -3.371 0.000 5.336) 6.311 19.816 ( 3.371 0.000 5.336) 6.311 20.025 ( -4.856 0.000 -1.396) 5.052 20.025 ( 4.856 0.000 -1.396) 5.052 20.183 ( -8.029 0.000 -5.526) 9.747 20.183 ( 8.029 0.000 -5.526) 9.747 20.806 ( -2.296 0.000 3.686) 4.343 20.806 ( 2.296 0.000 3.686) 4.343 20.897 ( -5.818 0.000 -0.016) 5.818 20.897 ( 5.818 0.000 -0.016) 5.818 21.025 ( -4.559 0.000 0.013) 4.559 21.025 ( 4.559 0.000 0.013) 4.559 21.201 ( -9.789 0.000 -3.595) 10.428 21.201 ( 9.789 0.000 -3.595) 10.428 21.356 ( -1.899 0.000 -0.594) 1.989 21.356 ( 1.899 0.000 -0.594) 1.989 21.361 ( -1.574 0.000 -0.236) 1.591 21.361 ( 1.574 0.000 -0.236) 1.591 21.769 ( -5.067 0.000 0.671) 5.112 21.769 ( 5.067 0.000 0.671) 5.112 21.853 ( -10.236 0.000 -1.380) 10.328 21.853 ( 10.236 0.000 -1.380) 10.328 ======================= Grid point 36 (16/30) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 24.513 24.105) 34.379 1.066 ( 0.000 23.100 28.098) 36.374 1.456 ( 0.000 -11.211 18.273) 21.438 1.489 ( 0.000 -21.629 23.658) 32.055 1.593 ( 0.000 21.868 35.697) 41.862 2.268 ( 0.000 9.071 0.844) 9.110 2.285 ( 0.000 6.619 -11.497) 13.267 2.346 ( 0.000 8.088 -6.013) 10.078 2.461 ( 0.000 -33.208 15.702) 36.734 2.475 ( 0.000 -8.472 -7.870) 11.563 2.551 ( 0.000 17.793 7.113) 19.162 2.626 ( 0.000 -2.868 3.755) 4.725 2.649 ( 0.000 -1.912 3.023) 3.577 2.713 ( 0.000 -10.667 0.619) 10.684 2.789 ( 0.000 -0.408 9.707) 9.716 2.805 ( 0.000 -14.688 1.498) 14.764 2.931 ( 0.000 -12.426 11.990) 17.267 2.956 ( 0.000 -1.387 2.413) 2.783 3.088 ( 0.000 -6.029 6.259) 8.691 3.112 ( 0.000 -5.314 1.153) 5.437 3.267 ( 0.000 1.611 -3.936) 4.253 3.284 ( 0.000 -0.239 -5.141) 5.147 3.353 ( 0.000 4.238 2.429) 4.885 3.368 ( 0.000 1.248 4.261) 4.440 3.518 ( 0.000 3.084 6.646) 7.327 3.531 ( 0.000 1.956 4.665) 5.059 3.599 ( 0.000 3.101 4.258) 5.268 3.641 ( 0.000 -1.614 0.681) 1.752 3.724 ( 0.000 -0.774 -3.968) 4.043 3.726 ( 0.000 -2.907 -5.852) 6.534 3.888 ( 0.000 0.781 -5.023) 5.083 3.895 ( 0.000 1.233 -5.446) 5.584 3.929 ( 0.000 2.120 -2.386) 3.192 3.944 ( 0.000 -0.431 0.724) 0.843 3.995 ( 0.000 4.269 1.792) 4.630 4.007 ( 0.000 3.170 -4.626) 5.608 4.049 ( 0.000 -1.383 -0.839) 1.617 4.063 ( 0.000 -4.041 1.138) 4.198 4.144 ( 0.000 3.140 -5.596) 6.417 4.185 ( 0.000 -0.902 -6.449) 6.511 4.222 ( 0.000 7.208 1.854) 7.443 4.282 ( 0.000 7.767 2.905) 8.293 4.309 ( 0.000 10.831 -3.738) 11.458 4.346 ( 0.000 7.019 1.682) 7.218 4.366 ( 0.000 -0.160 -1.396) 1.405 4.418 ( 0.000 13.278 -3.834) 13.821 4.420 ( 0.000 4.735 -3.788) 6.064 4.470 ( 0.000 -0.738 10.084) 10.111 4.535 ( 0.000 -4.069 4.282) 5.907 4.550 ( 0.000 -8.448 -3.694) 9.221 4.639 ( 0.000 -4.009 1.910) 4.440 4.653 ( 0.000 -7.477 2.497) 7.883 4.775 ( 0.000 -3.291 1.450) 3.596 4.801 ( 0.000 -0.082 1.236) 1.238 4.857 ( 0.000 0.389 -1.625) 1.671 4.901 ( 0.000 -4.950 4.446) 6.654 4.950 ( 0.000 2.244 7.349) 7.684 4.951 ( 0.000 4.531 5.779) 7.343 5.029 ( 0.000 1.760 3.652) 4.054 5.040 ( 0.000 -3.397 5.518) 6.480 5.114 ( 0.000 -3.859 -3.497) 5.208 5.121 ( 0.000 -0.408 -0.276) 0.493 5.134 ( 0.000 0.249 -1.396) 1.418 5.160 ( 0.000 -3.481 0.981) 3.617 5.214 ( 0.000 7.560 -1.032) 7.631 5.272 ( 0.000 1.910 -4.439) 4.833 5.315 ( 0.000 -1.075 -1.752) 2.056 5.358 ( 0.000 -5.636 -2.994) 6.382 5.387 ( 0.000 -2.843 -3.954) 4.870 5.443 ( 0.000 -7.153 -5.647) 9.113 5.526 ( 0.000 3.549 -0.324) 3.563 5.568 ( 0.000 -0.312 -1.840) 1.866 5.715 ( 0.000 4.140 -1.810) 4.519 5.725 ( 0.000 -1.089 4.966) 5.084 5.794 ( 0.000 -0.196 -3.661) 3.666 5.800 ( 0.000 -0.564 -0.544) 0.784 5.866 ( 0.000 2.898 -2.847) 4.062 5.881 ( 0.000 11.423 3.912) 12.075 5.909 ( 0.000 -3.797 -2.911) 4.785 5.926 ( 0.000 1.829 3.415) 3.874 6.022 ( 0.000 -5.061 -4.542) 6.801 6.037 ( 0.000 1.930 4.019) 4.458 6.049 ( 0.000 -6.450 1.913) 6.728 6.078 ( 0.000 4.874 -3.259) 5.864 6.120 ( 0.000 -6.883 2.586) 7.353 6.159 ( 0.000 3.085 -7.189) 7.823 6.208 ( 0.000 -0.683 -4.779) 4.827 6.214 ( 0.000 1.309 -8.618) 8.716 6.238 ( 0.000 2.305 1.347) 2.670 6.247 ( 0.000 1.893 0.238) 1.908 6.311 ( 0.000 5.015 0.684) 5.061 6.368 ( 0.000 -1.851 -1.975) 2.707 6.404 ( 0.000 1.839 -2.561) 3.153 6.448 ( 0.000 0.623 -6.898) 6.926 6.463 ( 0.000 -4.841 2.089) 5.272 6.486 ( 0.000 0.302 2.870) 2.886 6.514 ( 0.000 -0.415 0.090) 0.425 6.537 ( 0.000 -7.997 -10.172) 12.939 6.577 ( 0.000 -3.422 -1.665) 3.805 6.581 ( 0.000 -2.753 -2.109) 3.468 6.597 ( 0.000 5.688 -1.439) 5.867 6.663 ( 0.000 -1.300 -1.930) 2.327 6.669 ( 0.000 -1.568 -3.405) 3.748 6.708 ( 0.000 -3.796 -3.487) 5.154 6.759 ( 0.000 2.071 1.160) 2.374 6.811 ( 0.000 -3.524 -0.035) 3.524 6.822 ( 0.000 -2.138 0.218) 2.149 6.823 ( 0.000 -1.062 2.003) 2.267 6.887 ( 0.000 3.197 1.412) 3.495 6.929 ( 0.000 2.002 3.477) 4.012 6.961 ( 0.000 -3.971 2.935) 4.938 6.992 ( 0.000 -2.738 0.117) 2.740 7.051 ( 0.000 3.908 0.857) 4.001 7.072 ( 0.000 0.573 1.771) 1.862 7.137 ( 0.000 4.933 -2.814) 5.679 7.155 ( 0.000 3.580 -4.067) 5.418 7.199 ( 0.000 0.272 -7.735) 7.740 7.199 ( 0.000 1.156 -6.095) 6.204 7.250 ( 0.000 2.811 0.114) 2.813 7.296 ( 0.000 -1.973 -2.822) 3.444 7.359 ( 0.000 3.881 -7.057) 8.054 7.387 ( 0.000 -1.286 -4.905) 5.070 7.422 ( 0.000 4.305 -7.545) 8.687 7.487 ( 0.000 -2.178 -6.145) 6.519 7.512 ( 0.000 -0.870 -3.658) 3.760 7.514 ( 0.000 -2.875 -4.168) 5.064 7.602 ( 0.000 0.257 3.313) 3.323 7.676 ( 0.000 -3.469 1.709) 3.867 7.716 ( 0.000 -0.544 0.596) 0.807 7.738 ( 0.000 2.985 0.194) 2.991 7.756 ( 0.000 4.793 -3.022) 5.666 7.760 ( 0.000 -3.708 -3.035) 4.792 7.802 ( 0.000 -2.497 -1.696) 3.019 7.814 ( 0.000 -0.022 3.898) 3.898 7.835 ( 0.000 -0.987 2.412) 2.607 7.846 ( 0.000 -1.633 -1.987) 2.572 7.892 ( 0.000 -2.241 6.667) 7.033 7.905 ( 0.000 -3.881 -2.182) 4.452 8.006 ( 0.000 6.277 3.862) 7.370 8.055 ( 0.000 3.458 -1.943) 3.967 8.063 ( 0.000 2.588 -3.057) 4.005 8.129 ( 0.000 -7.247 4.159) 8.356 8.172 ( 0.000 4.161 6.745) 7.925 8.279 ( 0.000 6.844 6.221) 9.249 8.306 ( 0.000 -8.518 2.489) 8.875 8.439 ( 0.000 -10.241 8.296) 13.179 8.525 ( 0.000 -0.269 4.517) 4.526 8.593 ( 0.000 -5.262 4.799) 7.122 8.634 ( 0.000 3.893 3.333) 5.125 8.664 ( 0.000 -0.072 7.326) 7.326 8.756 ( 0.000 8.169 1.300) 8.271 8.854 ( 0.000 -2.001 -0.000) 2.001 8.864 ( 0.000 -6.584 4.755) 8.122 8.906 ( 0.000 3.663 0.861) 3.763 8.917 ( 0.000 -5.833 0.950) 5.910 8.958 ( 0.000 -1.665 -1.905) 2.530 9.005 ( 0.000 2.529 -1.300) 2.843 9.022 ( 0.000 0.013 -1.316) 1.316 9.057 ( 0.000 -1.586 -0.871) 1.809 9.070 ( 0.000 -3.144 0.660) 3.212 9.140 ( 0.000 7.370 2.247) 7.705 9.244 ( 0.000 11.761 -0.232) 11.763 9.358 ( 0.000 -12.444 2.078) 12.617 9.440 ( 0.000 -7.581 -2.050) 7.854 9.497 ( 0.000 4.919 3.825) 6.231 9.606 ( 0.000 -5.746 3.287) 6.620 9.670 ( 0.000 5.528 1.975) 5.870 9.730 ( 0.000 -0.814 2.781) 2.898 9.742 ( 0.000 1.395 6.812) 6.954 9.770 ( 0.000 -2.856 5.571) 6.260 9.833 ( 0.000 3.087 3.014) 4.315 9.887 ( 0.000 -1.433 5.527) 5.710 9.984 ( 0.000 5.442 7.655) 9.393 10.124 ( 0.000 -9.692 6.275) 11.546 10.319 ( 0.000 5.442 2.625) 6.042 10.422 ( 0.000 -4.665 1.324) 4.850 10.567 ( 0.000 1.167 0.229) 1.190 10.602 ( 0.000 -2.597 -2.208) 3.409 10.710 ( 0.000 -0.029 0.550) 0.551 10.719 ( 0.000 -1.645 1.841) 2.469 10.795 ( 0.000 3.567 -5.501) 6.557 10.858 ( 0.000 -2.175 -6.778) 7.118 10.956 ( 0.000 4.786 -9.423) 10.569 10.957 ( 0.000 6.779 -15.696) 17.097 12.012 ( 0.000 6.362 -1.663) 6.576 12.109 ( 0.000 13.236 -11.270) 17.384 12.165 ( 0.000 -9.117 -2.886) 9.563 12.287 ( 0.000 -6.142 -7.374) 9.597 12.485 ( 0.000 4.247 -1.063) 4.378 12.570 ( 0.000 -4.155 1.950) 4.590 12.661 ( 0.000 2.981 -0.630) 3.047 12.697 ( 0.000 4.710 -2.171) 5.186 12.725 ( 0.000 -4.816 -3.182) 5.772 12.791 ( 0.000 -4.383 1.320) 4.578 12.948 ( 0.000 3.892 -8.988) 9.795 13.011 ( 0.000 -1.284 -10.373) 10.453 13.048 ( 0.000 0.637 -1.850) 1.956 13.069 ( 0.000 -1.976 -1.978) 2.796 13.118 ( 0.000 0.481 -4.435) 4.461 13.140 ( 0.000 -1.926 -3.807) 4.266 13.269 ( 0.000 2.542 1.548) 2.977 13.300 ( 0.000 -0.808 3.177) 3.278 13.347 ( 0.000 2.308 0.080) 2.309 13.380 ( 0.000 -1.267 1.163) 1.719 13.681 ( 0.000 1.106 11.002) 11.057 13.706 ( 0.000 -1.292 10.233) 10.314 13.768 ( 0.000 0.570 8.183) 8.203 13.778 ( 0.000 -0.445 8.821) 8.832 18.918 ( 0.000 2.577 0.189) 2.584 18.984 ( 0.000 -4.171 -0.577) 4.211 19.035 ( 0.000 0.414 -4.680) 4.698 19.047 ( 0.000 -0.880 -3.661) 3.766 19.244 ( 0.000 2.470 0.936) 2.642 19.259 ( 0.000 3.114 2.526) 4.009 19.275 ( 0.000 -1.035 0.579) 1.186 19.309 ( 0.000 -1.836 0.803) 2.004 19.637 ( 0.000 1.203 13.568) 13.621 19.699 ( 0.000 -5.996 9.475) 11.213 19.804 ( 0.000 0.150 3.968) 3.970 19.815 ( 0.000 -1.796 5.863) 6.132 20.045 ( 0.000 0.637 -0.181) 0.662 20.061 ( 0.000 -0.916 -1.444) 1.710 20.398 ( 0.000 6.137 -10.976) 12.575 20.461 ( 0.000 -1.492 -7.848) 7.988 20.762 ( 0.000 1.895 4.739) 5.104 20.798 ( 0.000 -1.634 4.050) 4.367 20.996 ( 0.000 0.730 -1.178) 1.386 21.015 ( 0.000 -1.251 -0.513) 1.352 21.057 ( 0.000 0.629 1.770) 1.878 21.085 ( 0.000 -2.439 3.222) 4.041 21.219 ( 0.000 4.938 -4.294) 6.544 21.268 ( 0.000 -0.695 0.025) 0.696 21.272 ( 0.000 0.627 -0.125) 0.639 21.317 ( 0.000 -1.938 -4.128) 4.561 21.415 ( 0.000 0.126 -4.490) 4.491 21.438 ( 0.000 -3.149 -3.260) 4.533 21.887 ( 0.000 -0.656 10.044) 10.065 21.904 ( 0.000 -4.411 12.085) 12.865 22.460 ( 0.000 8.249 -12.176) 14.707 22.543 ( 0.000 -2.072 -9.856) 10.071 ======================= Grid point 37 (17/30) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.823 21.177 20.816) 30.708 1.249 ( 15.146 14.209 25.340) 32.763 1.518 ( 4.284 -21.897 17.225) 28.187 1.586 ( 11.513 5.499 17.912) 21.992 1.753 ( 12.495 7.270 28.122) 31.620 2.224 ( -2.464 3.400 -4.800) 6.378 2.277 ( 0.313 7.901 -2.605) 8.325 2.397 ( -0.697 -2.419 -6.062) 6.564 2.435 ( -1.170 -9.971 -2.804) 10.424 2.441 ( -0.842 -12.490 9.065) 15.456 2.583 ( -0.090 2.955 3.550) 4.620 2.619 ( -0.611 6.329 5.381) 8.330 2.685 ( 3.072 -8.941 1.025) 9.509 2.721 ( 5.077 8.362 5.762) 11.353 2.810 ( 1.856 -0.729 7.720) 7.973 2.926 ( 5.356 -11.765 0.585) 12.940 2.932 ( 1.447 -2.728 2.966) 4.282 3.013 ( 6.962 -11.082 6.443) 14.587 3.105 ( 2.152 -2.355 0.458) 3.223 3.153 ( 5.372 -6.636 4.463) 9.634 3.243 ( -1.222 2.823 -0.139) 3.079 3.274 ( -0.431 -0.814 1.124) 1.453 3.391 ( 1.051 0.909 2.402) 2.775 3.396 ( 2.655 2.164 1.331) 3.674 3.487 ( 0.137 3.660 3.275) 4.913 3.535 ( -0.882 -0.884 3.293) 3.522 3.613 ( -0.890 2.154 4.871) 5.400 3.639 ( 0.006 -0.988 1.265) 1.605 3.694 ( -3.151 0.051 -5.904) 6.693 3.745 ( 0.857 -1.049 -3.564) 3.813 3.827 ( -2.154 4.974 -5.656) 7.834 3.866 ( -0.521 -0.077 -5.015) 5.042 3.897 ( -0.566 -0.949 -3.195) 3.380 3.914 ( -0.405 -1.822 3.375) 3.857 4.021 ( 1.361 3.387 -4.739) 5.982 4.055 ( -3.295 1.856 -2.325) 4.440 4.064 ( 1.559 0.720 -2.388) 2.941 4.098 ( 0.814 0.681 1.590) 1.911 4.157 ( 1.333 1.721 -0.816) 2.324 4.188 ( 4.637 0.548 -0.463) 4.692 4.249 ( 1.734 5.306 -3.275) 6.472 4.288 ( 0.049 5.665 -2.906) 6.367 4.328 ( 2.070 0.318 -0.504) 2.154 4.363 ( 1.002 0.912 -0.667) 1.510 4.401 ( -1.400 -4.383 0.938) 4.695 4.425 ( 0.924 1.770 3.279) 3.839 4.440 ( -0.567 -2.447 4.622) 5.261 4.467 ( 3.253 -0.128 4.276) 5.374 4.587 ( 4.741 9.073 3.255) 10.742 4.634 ( 4.171 1.076 -2.805) 5.140 4.680 ( 3.692 -1.492 -1.056) 4.120 4.719 ( 3.663 -0.458 -1.131) 3.861 4.782 ( 0.017 6.860 1.857) 7.106 4.858 ( -0.645 -2.182 -0.914) 2.452 4.865 ( 3.713 -5.224 1.568) 6.598 4.903 ( 1.303 -4.143 3.498) 5.576 4.942 ( 0.707 3.746 5.982) 7.093 4.965 ( -0.653 1.720 0.779) 1.998 4.989 ( -1.022 -0.247 8.804) 8.867 5.037 ( -0.475 -1.943 3.054) 3.651 5.069 ( -3.667 -0.339 0.364) 3.701 5.101 ( 1.095 0.052 1.219) 1.640 5.132 ( -1.079 0.762 -5.303) 5.465 5.184 ( 0.460 0.266 -2.089) 2.156 5.236 ( 1.380 -3.071 -1.539) 3.702 5.282 ( 2.373 -0.775 -3.358) 4.184 5.317 ( -1.585 -4.228 -3.355) 5.625 5.332 ( -1.286 -7.283 -1.734) 7.596 5.383 ( -0.167 0.313 -2.107) 2.136 5.459 ( 2.144 -5.009 -5.267) 7.578 5.550 ( 1.662 3.291 0.824) 3.778 5.588 ( 0.776 -0.602 -1.366) 1.682 5.698 ( 0.129 2.464 1.623) 2.953 5.749 ( -1.944 5.752 -0.512) 6.093 5.756 ( 1.287 -0.664 -1.057) 1.793 5.810 ( -5.179 4.413 -1.891) 7.063 5.835 ( 0.030 -2.791 0.867) 2.923 5.849 ( -2.305 4.959 -0.522) 5.493 5.854 ( -2.957 -0.010 -1.837) 3.481 5.910 ( -0.307 0.115 3.772) 3.786 5.981 ( -3.059 -0.666 1.535) 3.487 6.020 ( -2.022 1.709 0.819) 2.771 6.031 ( -0.553 -2.754 -2.132) 3.526 6.080 ( -2.268 -0.421 1.615) 2.816 6.108 ( -2.906 2.428 -5.018) 6.287 6.149 ( -2.472 0.938 -2.766) 3.826 6.161 ( -0.335 1.319 -1.082) 1.739 6.168 ( -0.556 -0.958 -3.404) 3.580 6.207 ( 1.136 0.614 -7.343) 7.456 6.245 ( -0.340 -1.748 -0.846) 1.971 6.314 ( -1.262 0.302 -4.355) 4.544 6.365 ( -5.471 -0.545 -1.309) 5.651 6.395 ( -3.480 -1.182 0.072) 3.675 6.431 ( -2.252 -0.109 -2.744) 3.552 6.468 ( -1.089 -3.264 -6.446) 7.307 6.477 ( 1.523 -2.048 -2.896) 3.861 6.533 ( 1.081 -1.060 -0.218) 1.530 6.545 ( 1.626 -0.591 2.090) 2.713 6.563 ( 1.091 3.445 0.789) 3.699 6.587 ( 4.163 -1.864 2.381) 5.145 6.629 ( -0.513 0.506 -1.612) 1.766 6.658 ( 0.854 -2.354 3.024) 3.926 6.689 ( 0.895 2.119 -2.462) 3.369 6.750 ( 0.798 -0.990 1.378) 1.875 6.772 ( 0.328 -0.629 -3.172) 3.250 6.796 ( 0.660 -2.478 -1.373) 2.908 6.817 ( -0.140 -1.561 0.549) 1.661 6.847 ( 0.088 -1.698 -0.777) 1.869 6.876 ( -0.437 0.627 0.243) 0.802 6.918 ( -0.905 -0.316 0.173) 0.974 6.928 ( -2.135 0.725 4.576) 5.101 6.982 ( 0.616 -1.698 1.371) 2.268 7.015 ( -1.163 2.042 0.224) 2.360 7.060 ( -2.831 -1.543 -0.034) 3.224 7.127 ( 0.492 2.464 -3.122) 4.007 7.159 ( -1.561 0.417 -6.613) 6.808 7.181 ( 1.234 3.559 -1.104) 3.925 7.248 ( -0.301 0.305 -3.233) 3.262 7.257 ( -3.151 -0.373 -3.437) 4.678 7.288 ( -0.358 -3.275 -0.927) 3.423 7.325 ( -1.171 -1.096 -3.656) 3.992 7.335 ( -1.329 -0.333 -6.710) 6.848 7.417 ( -0.496 4.023 -4.533) 6.081 7.450 ( -1.731 1.221 -1.025) 2.354 7.475 ( -0.790 2.041 -4.849) 5.320 7.526 ( 0.442 3.000 -1.407) 3.343 7.572 ( -1.748 -4.102 0.596) 4.499 7.606 ( -3.642 -2.913 1.136) 4.800 7.645 ( -2.658 3.568 -5.028) 6.714 7.707 ( -5.139 2.437 -1.821) 5.972 7.722 ( -2.530 0.162 -0.658) 2.619 7.735 ( -3.772 -1.216 -1.112) 4.116 7.810 ( 0.806 1.917 2.315) 3.112 7.837 ( 1.113 1.913 2.312) 3.200 7.859 ( 0.325 -2.860 2.333) 3.706 7.881 ( 4.671 -4.265 -0.336) 6.334 7.959 ( 6.461 -1.402 1.901) 6.879 7.976 ( 5.460 -2.509 1.399) 6.169 8.067 ( 0.912 1.826 1.584) 2.584 8.099 ( 4.947 2.761 -0.620) 5.699 8.126 ( 2.884 -1.052 -0.137) 3.073 8.156 ( -1.019 -6.368 6.679) 9.284 8.212 ( 4.435 4.090 2.432) 6.505 8.249 ( 0.980 2.756 1.531) 3.302 8.338 ( 3.879 -3.713 4.140) 6.780 8.380 ( -3.242 -4.744 7.806) 9.693 8.537 ( -0.448 -0.206 4.398) 4.426 8.554 ( 1.342 -3.364 3.506) 5.041 8.615 ( 0.053 6.028 2.680) 6.597 8.684 ( 1.598 0.545 1.718) 2.409 8.729 ( -3.442 6.793 -0.502) 7.632 8.775 ( -3.526 1.049 1.299) 3.901 8.821 ( -4.347 -2.929 -0.549) 5.271 8.850 ( -3.632 -2.769 -1.434) 4.787 8.907 ( -2.853 1.735 -1.009) 3.488 8.954 ( -3.260 -2.002 -0.375) 3.844 9.012 ( -0.916 2.028 -1.256) 2.555 9.042 ( -2.995 -0.570 2.452) 3.912 9.057 ( 0.694 -0.235 0.493) 0.883 9.111 ( 4.426 4.652 1.271) 6.546 9.204 ( 4.967 -1.654 0.281) 5.243 9.299 ( 4.598 10.312 -0.521) 11.303 9.399 ( 3.200 -9.971 1.226) 10.543 9.493 ( 4.031 -6.615 -1.814) 7.955 9.510 ( 1.352 4.932 2.753) 5.808 9.615 ( 0.879 -4.849 1.764) 5.234 9.650 ( -1.600 1.444 2.571) 3.355 9.677 ( -2.277 -1.452 3.078) 4.095 9.783 ( 1.873 2.494 5.917) 6.689 9.813 ( 2.667 -1.764 2.128) 3.841 9.831 ( 0.355 1.009 0.823) 1.350 9.871 ( -0.862 -2.293 5.442) 5.968 9.988 ( -0.212 6.423 4.547) 7.872 10.124 ( -1.527 -8.269 -1.595) 8.559 10.343 ( 2.216 4.019 3.362) 5.689 10.431 ( 1.018 -4.402 1.961) 4.926 10.501 ( -6.072 5.185 -3.561) 8.743 10.564 ( -3.145 -2.575 -1.976) 4.520 10.644 ( -2.511 2.483 -2.788) 4.499 10.692 ( -2.275 -2.327 -3.474) 4.761 10.798 ( 0.349 2.996 -1.975) 3.606 10.844 ( -0.665 -1.497 -2.849) 3.287 10.969 ( 0.646 3.103 -2.957) 4.335 11.031 ( -0.237 -2.740 -5.040) 5.741 12.001 ( -0.920 6.372 -1.363) 6.580 12.059 ( -3.525 11.197 -3.963) 12.389 12.156 ( -1.027 -8.919 -2.300) 9.268 12.245 ( -4.172 -7.614 -3.935) 9.532 12.464 ( -0.613 3.056 -3.669) 4.814 12.508 ( -2.158 -1.681 -1.811) 3.280 12.631 ( -2.888 2.265 -0.796) 3.755 12.644 ( -3.630 1.686 -4.662) 6.144 12.732 ( 0.452 0.004 -0.169) 0.482 12.768 ( -0.337 -2.105 -0.253) 2.146 12.950 ( -0.170 0.426 -6.667) 6.682 12.963 ( -2.897 -0.822 -8.516) 9.032 13.084 ( 0.010 3.343 -0.662) 3.408 13.124 ( 1.144 1.574 -1.104) 2.238 13.152 ( 0.239 -3.330 -1.806) 3.796 13.162 ( 2.993 -2.003 -3.090) 4.745 13.252 ( -1.587 1.336 0.321) 2.099 13.276 ( 1.812 -1.202 -1.681) 2.749 13.334 ( -0.750 1.590 0.750) 1.912 13.360 ( -1.341 -1.139 0.574) 1.851 13.629 ( -4.397 0.498 11.127) 11.975 13.648 ( -4.929 -1.346 9.823) 11.072 13.720 ( -4.214 1.071 7.258) 8.461 13.740 ( -3.409 -0.889 8.011) 8.752 18.925 ( 0.587 2.580 0.282) 2.661 18.988 ( 0.453 -3.781 -0.553) 3.848 19.044 ( 0.748 0.524 -4.463) 4.555 19.062 ( 1.106 -1.490 -3.685) 4.126 19.223 ( -1.714 2.682 0.955) 3.323 19.248 ( -0.979 2.151 1.774) 2.955 19.262 ( -1.098 -0.451 0.700) 1.378 19.300 ( -0.774 -1.878 0.578) 2.112 19.635 ( -0.083 1.188 13.025) 13.080 19.684 ( -0.926 -4.313 11.683) 12.488 19.815 ( 0.861 0.733 3.823) 3.987 19.823 ( 1.930 -0.267 2.971) 3.553 19.985 ( -4.215 0.709 0.163) 4.278 20.007 ( -4.113 -1.644 -0.659) 4.478 20.369 ( -2.372 7.516 -10.133) 12.837 20.454 ( -0.751 -2.162 -9.116) 9.398 20.761 ( -2.865 1.862 4.849) 5.932 20.772 ( -0.071 1.008 3.563) 3.703 20.857 ( -2.154 1.171 7.411) 7.806 20.919 ( -4.352 -3.744 5.106) 7.683 21.050 ( -0.672 1.667 -0.797) 1.967 21.097 ( -1.597 -2.447 1.047) 3.104 21.242 ( 1.803 7.354 -2.427) 7.951 21.276 ( 0.578 0.286 0.077) 0.649 21.284 ( 0.689 -0.043 0.556) 0.886 21.391 ( 0.304 -6.738 -3.479) 7.589 21.447 ( 1.786 0.114 -4.459) 4.805 21.451 ( 2.753 -0.156 -4.380) 5.176 21.862 ( -3.235 1.188 7.471) 8.228 21.926 ( -2.564 -6.520 3.482) 7.824 22.355 ( -7.420 11.007 -8.438) 15.730 22.541 ( -4.093 -8.730 -12.994) 16.181 ======================= Grid point 38 (18/30) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 11.855 16.052 14.332) 24.568 1.599 ( 13.857 -10.510 11.294) 20.737 1.649 ( 9.452 2.631 22.015) 24.102 1.916 ( 13.716 -12.045 7.637) 19.788 2.049 ( 14.130 14.119 10.706) 22.664 2.226 ( -0.610 -4.945 0.409) 5.000 2.236 ( 0.367 2.751 -0.792) 2.886 2.336 ( -1.962 1.497 -1.574) 2.928 2.369 ( -2.337 -2.183 2.814) 4.260 2.497 ( 3.162 -4.823 2.031) 6.114 2.581 ( 3.350 -1.165 4.643) 5.842 2.666 ( 2.102 1.584 5.362) 5.973 2.706 ( 0.079 -1.034 -2.804) 2.989 2.799 ( 1.678 6.331 3.856) 7.600 2.891 ( 3.462 0.945 4.589) 5.826 2.985 ( 2.030 -4.371 -2.406) 5.386 3.015 ( 5.450 -0.191 -0.692) 5.497 3.156 ( 1.626 -7.364 0.904) 7.596 3.217 ( 5.935 1.244 4.872) 7.778 3.234 ( 1.932 1.139 -0.641) 2.333 3.277 ( 7.248 -1.801 7.095) 10.301 3.322 ( 2.761 -2.628 0.418) 3.835 3.396 ( -0.181 0.907 3.288) 3.416 3.464 ( 1.513 -2.628 -0.435) 3.063 3.520 ( 0.996 1.872 1.520) 2.609 3.535 ( -0.713 3.458 2.253) 4.189 3.573 ( 2.476 0.858 1.647) 3.095 3.587 ( 0.066 -2.487 2.656) 3.639 3.687 ( 0.001 7.861 -0.499) 7.877 3.745 ( -0.623 -1.929 -6.181) 6.505 3.819 ( 1.578 1.193 -5.192) 5.556 3.872 ( -2.173 0.626 -5.096) 5.575 3.904 ( 1.192 0.568 0.331) 1.361 3.942 ( 3.433 -2.669 -0.504) 4.377 3.967 ( -5.147 2.271 0.896) 5.697 4.023 ( -0.254 -0.625 -0.576) 0.887 4.082 ( -0.893 3.122 1.621) 3.629 4.104 ( 1.124 0.635 -1.304) 1.836 4.169 ( 3.056 -2.728 2.596) 4.850 4.192 ( -4.641 0.594 0.538) 4.710 4.257 ( 0.870 0.410 -0.265) 0.998 4.300 ( -0.502 0.033 -0.429) 0.661 4.359 ( 1.211 -4.265 2.647) 5.163 4.368 ( 0.015 -5.344 2.556) 5.924 4.443 ( 6.822 2.254 1.426) 7.325 4.456 ( -0.166 2.966 0.030) 2.971 4.512 ( 0.357 -2.768 4.574) 5.358 4.553 ( 6.448 -4.885 -4.755) 9.383 4.637 ( 2.477 2.768 -0.503) 3.748 4.677 ( -1.450 -2.852 1.476) 3.523 4.726 ( -2.173 1.961 -1.812) 3.442 4.761 ( 0.541 0.903 -2.351) 2.576 4.783 ( -0.228 4.293 1.424) 4.529 4.807 ( 1.873 7.481 0.067) 7.712 4.892 ( -0.168 2.123 -1.009) 2.357 4.912 ( -4.013 3.454 1.544) 5.515 4.931 ( 0.518 -3.072 5.716) 6.510 4.963 ( 0.089 -4.173 6.455) 7.687 5.009 ( 0.781 -3.581 2.838) 4.635 5.034 ( -1.203 5.320 -0.087) 5.455 5.054 ( -1.284 -3.721 -0.903) 4.038 5.081 ( 3.770 1.786 0.620) 4.218 5.186 ( 5.200 -1.358 -3.880) 6.629 5.216 ( 0.790 -2.308 -3.123) 3.963 5.244 ( -1.365 -4.270 -1.944) 4.886 5.254 ( -0.261 1.744 0.465) 1.824 5.314 ( 3.041 -2.854 4.273) 5.971 5.379 ( 2.732 -0.441 0.472) 2.808 5.417 ( 3.538 0.879 -0.512) 3.682 5.537 ( 4.480 -7.353 -1.440) 8.730 5.560 ( -0.719 3.652 -0.737) 3.795 5.594 ( 0.933 0.638 -2.446) 2.694 5.647 ( -5.645 4.094 -0.014) 6.973 5.704 ( -1.987 0.643 -0.977) 2.306 5.729 ( -2.358 3.019 -0.177) 3.835 5.782 ( -0.853 1.657 -4.797) 5.147 5.797 ( -0.741 0.488 -2.967) 3.097 5.819 ( -0.103 -1.424 -2.261) 2.674 5.846 ( -0.559 2.651 1.874) 3.294 5.869 ( -4.808 1.335 0.415) 5.008 5.928 ( -2.066 4.630 2.637) 5.715 5.957 ( -0.549 0.891 0.304) 1.090 5.997 ( -2.555 -0.287 1.557) 3.006 6.060 ( -1.044 -2.545 2.320) 3.598 6.069 ( -4.044 -0.363 -2.897) 4.987 6.093 ( -0.203 3.098 -2.135) 3.768 6.113 ( -0.927 -0.169 1.027) 1.394 6.147 ( -4.172 -2.519 0.473) 4.896 6.177 ( -2.996 -2.417 -4.227) 5.717 6.223 ( -2.248 -3.254 -1.810) 4.350 6.270 ( -4.687 -0.652 -1.532) 4.974 6.284 ( 1.346 -3.821 -4.366) 5.956 6.360 ( 1.935 6.584 -0.213) 6.866 6.413 ( -1.069 5.343 0.723) 5.496 6.453 ( -2.695 -2.656 -3.319) 5.033 6.488 ( -1.997 -2.347 -3.423) 4.606 6.509 ( -1.007 0.464 0.460) 1.200 6.548 ( 0.933 0.099 -3.066) 3.206 6.575 ( 0.501 1.141 5.425) 5.566 6.622 ( -0.540 6.238 -0.180) 6.264 6.657 ( -1.441 0.942 -1.619) 2.363 6.670 ( 1.116 -1.779 1.431) 2.541 6.700 ( -3.384 -3.808 -0.392) 5.109 6.709 ( -0.033 -4.466 0.635) 4.512 6.756 ( -0.318 0.586 1.782) 1.902 6.793 ( -1.170 -0.805 1.231) 1.880 6.809 ( 0.125 -1.644 0.809) 1.837 6.836 ( -1.280 -1.504 0.340) 2.004 6.879 ( -0.253 3.889 1.707) 4.255 6.900 ( 0.407 0.280 -1.124) 1.228 6.948 ( 2.579 -2.869 -0.573) 3.900 6.965 ( -2.342 -3.425 3.145) 5.206 7.031 ( 1.506 -0.096 -3.116) 3.462 7.047 ( 0.919 0.248 -2.419) 2.600 7.106 ( -1.544 1.365 -2.519) 3.255 7.129 ( -0.585 3.420 -3.856) 5.187 7.161 ( -1.004 -3.436 -3.436) 4.962 7.206 ( 1.433 -2.953 -2.179) 3.940 7.261 ( 2.281 1.367 -0.609) 2.728 7.311 ( 0.162 0.051 -1.057) 1.070 7.319 ( 0.018 -4.392 -0.662) 4.442 7.335 ( 2.810 -1.718 -0.244) 3.303 7.398 ( -1.665 2.947 0.849) 3.490 7.454 ( 0.085 -0.975 0.823) 1.279 7.459 ( -1.448 2.042 1.725) 3.040 7.500 ( -0.473 1.874 -2.012) 2.790 7.519 ( -2.292 1.520 -0.505) 2.796 7.594 ( -2.336 0.669 -1.422) 2.815 7.600 ( -1.220 2.615 -3.287) 4.373 7.632 ( 0.949 -0.732 -2.396) 2.679 7.672 ( -0.225 -2.175 -1.006) 2.407 7.715 ( -0.367 -3.822 -0.844) 3.931 7.794 ( -0.078 3.077 1.324) 3.351 7.850 ( -0.258 -0.016 2.732) 2.744 7.904 ( -0.056 2.659 -0.055) 2.660 7.942 ( 3.075 1.130 -0.085) 3.278 8.037 ( -0.498 -0.167 1.952) 2.021 8.050 ( 1.195 -0.222 4.015) 4.195 8.073 ( 0.180 -1.228 -0.546) 1.356 8.123 ( 2.461 -4.753 0.545) 5.380 8.173 ( 0.545 2.411 -0.536) 2.530 8.213 ( 1.160 1.104 0.493) 1.675 8.271 ( 0.506 -0.468 0.520) 0.863 8.304 ( 1.077 -2.754 -2.238) 3.709 8.346 ( 1.790 4.387 1.897) 5.104 8.430 ( 2.190 -5.489 -0.730) 5.954 8.531 ( -0.162 2.817 0.782) 2.928 8.580 ( -0.130 -4.080 0.285) 4.092 8.631 ( 1.337 2.907 1.546) 3.554 8.671 ( 0.082 4.650 -1.178) 4.797 8.702 ( 0.203 0.171 -1.153) 1.183 8.729 ( -1.848 0.708 -2.116) 2.897 8.738 ( -1.106 -1.275 -0.765) 1.853 8.759 ( -3.376 -2.915 0.087) 4.461 8.844 ( -4.864 1.077 -0.196) 4.986 8.877 ( -4.153 0.388 2.786) 5.016 8.916 ( -3.688 -4.409 -1.634) 5.976 8.958 ( -5.243 -4.769 1.946) 7.350 9.065 ( 0.115 7.527 1.567) 7.689 9.222 ( 4.021 13.574 -0.704) 14.175 9.274 ( 1.943 -9.107 -0.215) 9.314 9.388 ( 3.261 13.709 -1.718) 14.196 9.462 ( 1.906 -3.304 0.557) 3.855 9.538 ( 1.937 3.461 0.311) 3.978 9.568 ( -0.251 -0.434 -1.298) 1.392 9.609 ( -0.230 -6.140 0.621) 6.175 9.623 ( -0.928 -2.425 1.430) 2.964 9.672 ( 2.527 -4.921 0.022) 5.532 9.789 ( -0.674 4.094 5.447) 6.847 9.847 ( -0.102 -1.190 -0.432) 1.270 9.875 ( 2.658 -0.363 -3.278) 4.235 9.895 ( 3.796 -2.557 2.760) 5.345 9.964 ( -0.740 1.818 0.603) 2.054 10.040 ( -5.724 -6.155 -7.361) 11.173 10.357 ( -6.708 7.571 -6.096) 11.810 10.409 ( 3.707 2.578 4.355) 6.274 10.463 ( -0.269 -3.591 -1.258) 3.815 10.478 ( -2.855 -4.355 -1.206) 5.345 10.613 ( -0.340 2.262 -2.095) 3.102 10.650 ( -1.324 -1.683 -4.155) 4.675 10.778 ( -3.001 1.674 2.496) 4.247 10.818 ( -2.284 -2.312 1.711) 3.673 10.933 ( -4.652 0.368 2.334) 5.218 10.943 ( -5.035 -0.376 2.498) 5.634 11.981 ( -0.803 6.152 -0.386) 6.216 12.008 ( -1.001 6.668 -0.332) 6.751 12.125 ( -2.558 -8.154 -0.847) 8.588 12.137 ( -4.210 -6.284 -0.025) 7.564 12.462 ( 0.094 3.390 -2.960) 4.501 12.511 ( 0.374 -1.963 -2.958) 3.570 12.577 ( -0.903 1.427 -3.369) 3.769 12.590 ( -0.858 0.252 -1.760) 1.974 12.744 ( 1.073 1.146 -0.173) 1.579 12.780 ( 1.356 -2.049 -0.098) 2.459 12.902 ( -2.110 2.711 -4.549) 5.700 12.956 ( 0.485 -2.610 -4.156) 4.931 13.057 ( -1.971 -0.098 2.818) 3.440 13.066 ( -4.253 -1.109 3.674) 5.728 13.162 ( 1.040 1.970 -1.701) 2.803 13.185 ( -0.088 -0.536 -3.193) 3.239 13.246 ( -0.784 4.003 -1.390) 4.309 13.320 ( -0.084 -3.069 1.562) 3.445 13.348 ( 1.539 1.562 -1.667) 2.754 13.370 ( 3.188 -0.355 -1.085) 3.387 13.509 ( -6.588 -0.697 9.277) 11.400 13.523 ( -6.190 -1.841 6.585) 9.223 13.614 ( -5.021 1.759 3.874) 6.581 13.649 ( -4.780 -1.534 5.232) 7.251 18.942 ( 1.092 2.566 0.520) 2.837 19.003 ( 0.962 -3.483 -0.261) 3.623 19.064 ( 0.947 0.449 -3.676) 3.823 19.079 ( 0.188 -1.440 -2.065) 2.524 19.189 ( -0.913 2.440 -0.416) 2.638 19.219 ( -1.535 -0.696 0.409) 1.734 19.240 ( -0.833 1.917 0.146) 2.095 19.280 ( -0.949 -1.771 -0.175) 2.017 19.642 ( 0.896 1.488 10.906) 11.044 19.683 ( 0.892 -2.710 10.729) 11.101 19.863 ( 3.321 1.784 1.105) 3.928 19.886 ( 0.350 -0.006 1.002) 1.061 19.894 ( -0.449 0.013 1.324) 1.398 19.924 ( -3.629 -2.782 0.507) 4.601 20.303 ( -3.951 7.770 -7.511) 11.506 20.415 ( -3.360 -3.675 -10.638) 11.746 20.732 ( 0.688 1.526 6.617) 6.826 20.769 ( -0.670 -1.681 5.433) 5.727 20.865 ( 1.384 1.389 3.321) 3.856 20.898 ( 2.877 -1.291 3.674) 4.842 21.005 ( -3.374 -0.181 -0.006) 3.378 21.041 ( -3.355 -3.005 -0.346) 4.517 21.263 ( -0.278 6.973 -1.576) 7.154 21.295 ( 1.002 0.437 0.087) 1.096 21.300 ( 0.917 -0.335 0.627) 1.160 21.375 ( -0.937 -4.088 -1.350) 4.406 21.466 ( -0.604 1.411 -6.276) 6.461 21.501 ( 0.886 -2.155 -5.564) 6.033 21.754 ( -5.524 0.470 7.091) 9.001 21.784 ( -8.477 -3.010 3.124) 9.522 22.172 ( -9.558 9.879 -6.270) 15.109 22.353 ( -12.371 -8.293 -9.403) 17.613 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 12.221 11.810 9.426) 19.434 1.795 ( 7.641 -17.644 1.616) 19.295 1.853 ( 3.209 4.458 12.156) 13.340 2.022 ( -1.397 -13.108 2.834) 13.483 2.123 ( -0.393 7.595 7.023) 10.352 2.200 ( -2.392 10.365 3.841) 11.310 2.268 ( 3.233 -5.431 4.172) 7.574 2.341 ( -0.773 -4.221 8.364) 9.400 2.529 ( 2.595 4.352 -2.606) 5.698 2.579 ( 12.846 -1.618 -1.730) 13.062 2.696 ( 5.420 6.557 2.478) 8.861 2.725 ( 4.894 9.571 -5.680) 12.158 2.818 ( 8.620 -7.426 2.422) 11.633 2.855 ( 4.213 0.495 4.577) 6.241 2.872 ( -2.032 4.977 4.742) 7.168 3.030 ( 1.652 3.490 -2.154) 4.421 3.082 ( -2.490 -3.984 -4.268) 6.347 3.148 ( 5.109 -3.032 1.656) 6.167 3.255 ( -3.784 -1.530 2.494) 4.783 3.290 ( -4.440 -5.366 4.523) 8.305 3.317 ( -3.898 -2.435 0.775) 4.661 3.364 ( 2.649 -5.161 2.721) 6.407 3.411 ( 0.792 -1.468 5.465) 5.714 3.456 ( 1.119 -3.657 2.412) 4.521 3.481 ( 1.819 3.618 4.170) 5.813 3.561 ( 1.580 -3.880 2.779) 5.027 3.627 ( 1.905 2.261 -2.700) 4.004 3.651 ( 3.372 0.193 -3.862) 5.131 3.694 ( -0.462 2.049 -2.701) 3.422 3.767 ( -3.947 0.440 -4.270) 5.831 3.820 ( -4.799 4.978 2.034) 7.208 3.835 ( 1.221 -3.047 -2.582) 4.176 3.923 ( 9.760 12.359 -0.476) 15.755 3.954 ( -0.266 1.190 -2.089) 2.419 3.987 ( 1.219 5.531 2.185) 6.071 4.048 ( 1.905 4.690 3.688) 6.263 4.054 ( -1.203 1.595 0.508) 2.061 4.115 ( 1.005 -1.272 -0.794) 1.805 4.162 ( 1.098 0.893 -0.995) 1.730 4.199 ( -2.593 -3.960 -0.813) 4.803 4.287 ( 0.538 0.298 2.012) 2.104 4.296 ( -4.301 -1.567 1.584) 4.843 4.314 ( -1.859 1.088 3.259) 3.907 4.397 ( 0.044 -6.540 3.267) 7.311 4.443 ( 3.292 -8.517 1.191) 9.209 4.477 ( 3.337 -8.714 -1.975) 9.538 4.554 ( -2.586 -0.985 -1.664) 3.229 4.564 ( -2.510 -2.455 -2.829) 4.509 4.673 ( -1.062 3.176 -0.859) 3.457 4.700 ( 4.142 1.294 1.131) 4.484 4.722 ( 1.370 1.655 -3.696) 4.275 4.757 ( 0.414 -1.498 -2.197) 2.691 4.809 ( -2.096 4.921 -1.124) 5.465 4.816 ( -0.086 5.144 2.225) 5.605 4.832 ( -1.815 3.091 1.723) 3.977 4.896 ( 3.315 -0.944 0.566) 3.493 4.944 ( 1.968 1.646 -0.438) 2.603 4.990 ( 2.776 -3.852 -1.791) 5.074 5.004 ( 1.218 -0.544 4.108) 4.319 5.037 ( 0.914 -2.481 2.028) 3.332 5.095 ( 1.870 0.052 -3.425) 3.903 5.162 ( 2.165 -5.044 1.986) 5.837 5.217 ( 3.256 2.691 0.407) 4.244 5.257 ( 2.368 -2.576 1.919) 3.991 5.281 ( 1.737 -1.075 -0.286) 2.063 5.288 ( 2.000 -1.070 4.099) 4.685 5.383 ( 1.935 0.184 3.414) 3.929 5.403 ( -0.708 -2.402 3.807) 4.557 5.521 ( 4.706 1.693 0.917) 5.085 5.538 ( -0.001 5.412 1.995) 5.768 5.570 ( -1.666 -0.009 -0.957) 1.922 5.582 ( 0.611 3.217 -0.223) 3.282 5.627 ( -0.453 0.545 0.070) 0.712 5.633 ( -4.466 2.479 -3.690) 6.301 5.665 ( 1.455 -3.510 -0.633) 3.852 5.727 ( -0.838 0.135 -5.503) 5.569 5.751 ( -4.574 5.421 0.215) 7.096 5.798 ( -3.924 0.066 0.453) 3.951 5.824 ( -3.105 -0.748 -0.781) 3.287 5.849 ( 0.186 -2.356 1.583) 2.845 5.889 ( -6.724 -0.160 2.201) 7.077 5.903 ( 0.743 -0.067 -0.002) 0.746 5.924 ( -4.271 0.032 3.286) 5.389 5.990 ( -6.838 -3.532 3.322) 8.383 6.012 ( 2.864 1.265 2.873) 4.249 6.062 ( 0.729 -2.613 0.886) 2.854 6.094 ( -1.975 -0.056 1.337) 2.386 6.112 ( -0.969 -1.037 -0.716) 1.590 6.172 ( 2.281 2.252 -2.352) 3.976 6.184 ( -1.662 2.913 -0.116) 3.356 6.233 ( 2.131 1.882 -0.702) 2.928 6.316 ( -1.466 -2.204 -7.099) 7.577 6.350 ( -3.024 4.960 1.724) 6.060 6.395 ( -0.915 0.935 0.898) 1.587 6.411 ( -3.703 -0.523 0.404) 3.761 6.421 ( -0.943 2.890 1.234) 3.281 6.463 ( -1.711 -0.208 -0.523) 1.801 6.519 ( -0.462 1.544 0.674) 1.747 6.577 ( -2.018 -5.696 0.689) 6.082 6.595 ( -1.162 2.823 -0.155) 3.057 6.610 ( -0.824 2.782 -1.043) 3.083 6.671 ( 0.591 -0.944 -2.687) 2.909 6.683 ( -0.290 -2.309 0.619) 2.408 6.718 ( -1.303 -0.941 1.551) 2.233 6.778 ( 2.166 -0.794 0.411) 2.344 6.794 ( 3.328 0.241 1.699) 3.744 6.819 ( 0.702 -1.484 0.671) 1.773 6.841 ( 1.300 -1.776 -1.947) 2.938 6.872 ( 0.107 2.390 -1.567) 2.860 6.910 ( 0.887 2.262 1.512) 2.861 6.961 ( 0.344 -0.347 -3.760) 3.792 6.990 ( -0.625 3.454 2.269) 4.179 7.033 ( 3.491 -2.181 -1.977) 4.566 7.043 ( -0.084 -4.334 0.548) 4.369 7.092 ( 0.650 -2.374 -4.359) 5.006 7.178 ( -0.702 -3.594 -2.130) 4.237 7.182 ( 3.561 2.876 1.368) 4.777 7.208 ( -2.544 0.739 0.754) 2.755 7.243 ( -2.363 -1.895 1.877) 3.564 7.302 ( -2.849 -4.765 -1.203) 5.681 7.357 ( 1.464 2.322 -1.768) 3.265 7.379 ( 4.563 0.225 -1.475) 4.801 7.409 ( 1.913 0.696 0.550) 2.109 7.442 ( 1.010 -2.267 0.148) 2.486 7.472 ( -0.074 1.306 0.420) 1.374 7.497 ( 1.363 0.731 0.382) 1.593 7.520 ( -0.136 -0.159 0.582) 0.619 7.549 ( -0.567 -0.499 -1.673) 1.836 7.604 ( -2.250 0.121 -1.061) 2.490 7.640 ( 3.417 3.254 -0.466) 4.741 7.674 ( -1.592 -3.764 -1.594) 4.387 7.714 ( -2.194 -3.390 -1.904) 4.464 7.752 ( -2.787 2.101 1.802) 3.928 7.820 ( 2.656 -3.257 1.362) 4.418 7.950 ( -0.095 2.725 -1.764) 3.247 7.964 ( 2.033 1.836 -2.409) 3.647 8.025 ( -0.472 3.276 0.144) 3.313 8.064 ( -0.088 1.569 3.259) 3.618 8.097 ( 2.343 1.455 0.339) 2.779 8.140 ( -1.745 0.908 -1.706) 2.604 8.142 ( -2.839 0.665 -2.414) 3.785 8.170 ( -3.318 1.203 1.121) 3.703 8.202 ( -3.892 -3.770 -1.353) 5.585 8.292 ( -2.791 -7.304 -1.428) 7.948 8.404 ( 1.999 5.067 0.475) 5.468 8.460 ( 0.252 -0.791 -2.015) 2.179 8.511 ( 0.290 3.817 0.075) 3.829 8.589 ( -1.118 1.794 0.290) 2.134 8.610 ( -2.014 -1.822 0.098) 2.718 8.673 ( -3.033 -2.280 -1.419) 4.051 8.687 ( 1.024 1.882 -2.881) 3.591 8.701 ( -3.419 2.310 -0.802) 4.203 8.739 ( 1.122 -1.052 -2.544) 2.973 8.759 ( 1.667 -0.843 -1.943) 2.695 8.778 ( 0.579 1.632 -2.488) 3.032 8.791 ( -1.295 0.215 -1.222) 1.794 8.843 ( -3.258 -4.531 2.450) 6.095 8.951 ( 4.592 -11.633 -3.736) 13.053 9.002 ( -6.745 12.318 -3.418) 14.454 9.225 ( -2.073 4.276 -2.076) 5.186 9.326 ( 0.706 -6.487 -1.130) 6.623 9.425 ( -0.849 10.162 1.517) 10.310 9.467 ( 0.308 -5.840 1.339) 5.999 9.520 ( 1.282 6.542 -1.790) 6.903 9.594 ( 2.235 3.822 -1.018) 4.543 9.606 ( -0.610 -3.284 2.016) 3.901 9.657 ( 2.266 -1.298 -1.408) 2.967 9.734 ( 2.893 -4.666 -1.418) 5.670 9.773 ( -0.966 3.955 3.176) 5.164 9.834 ( -1.150 -1.148 -2.069) 2.631 9.887 ( -0.682 -3.086 -1.839) 3.656 9.925 ( -3.932 -5.088 -4.553) 7.879 9.989 ( 4.916 2.162 -0.562) 5.400 10.038 ( 6.342 -2.108 -2.762) 7.231 10.222 ( -5.951 7.136 -5.017) 10.559 10.341 ( -6.783 -4.784 -6.465) 10.521 10.495 ( 3.964 1.581 2.515) 4.953 10.528 ( 3.408 -2.182 1.729) 4.400 10.630 ( 1.633 0.793 -0.281) 1.837 10.642 ( 0.470 -0.640 -1.356) 1.572 10.682 ( -4.495 3.156 2.582) 6.069 10.748 ( -3.849 -3.244 2.379) 5.567 10.816 ( -5.583 0.942 1.911) 5.975 10.838 ( -5.348 -1.095 2.190) 5.882 11.974 ( 0.283 4.807 0.545) 4.846 12.007 ( 0.743 2.492 -0.040) 2.601 12.046 ( -3.172 -1.742 0.490) 3.652 12.084 ( -2.480 -5.524 -0.049) 6.055 12.478 ( 1.624 2.778 0.802) 3.316 12.523 ( 1.443 -1.500 0.333) 2.108 12.567 ( -1.106 0.381 1.490) 1.894 12.583 ( -0.494 -0.917 0.973) 1.425 12.787 ( 2.386 0.422 0.117) 2.426 12.825 ( 2.842 -2.571 1.537) 4.129 12.904 ( 2.295 3.688 0.662) 4.394 12.947 ( -2.463 -1.284 3.086) 4.152 13.007 ( -1.732 -1.097 3.146) 3.755 13.023 ( 1.372 -1.475 -1.096) 2.293 13.174 ( -0.873 1.074 -1.891) 2.343 13.183 ( -0.112 0.294 -0.258) 0.406 13.231 ( -0.068 2.050 -0.670) 2.157 13.262 ( -4.307 -0.588 5.491) 7.003 13.331 ( -5.175 3.171 1.727) 6.310 13.371 ( -5.082 -0.472 2.550) 5.705 13.438 ( 1.910 -0.632 -0.247) 2.027 13.449 ( 1.334 -1.929 -1.064) 2.576 13.534 ( -2.590 0.622 -1.019) 2.852 13.557 ( -3.555 -1.348 1.140) 3.969 18.970 ( 1.539 2.512 0.804) 3.054 19.026 ( 0.903 -2.142 -0.008) 2.324 19.056 ( -1.309 -0.336 0.581) 1.471 19.082 ( -0.053 -1.852 -1.799) 2.582 19.187 ( 0.062 1.579 -1.326) 2.063 19.200 ( 0.173 0.687 -1.952) 2.077 19.226 ( -0.389 1.051 -1.560) 1.921 19.260 ( -1.030 -1.622 -1.312) 2.327 19.673 ( 1.995 1.741 8.164) 8.583 19.717 ( 2.218 -2.637 8.028) 8.736 19.799 ( -3.866 1.620 3.171) 5.256 19.847 ( -3.549 -3.325 2.517) 5.476 19.959 ( 5.252 2.828 -0.560) 5.991 20.004 ( 6.377 -1.789 -1.546) 6.801 20.202 ( -5.458 6.330 -4.569) 9.525 20.307 ( -6.589 -4.139 -8.176) 11.287 20.771 ( 1.607 -0.168 5.939) 6.155 20.776 ( 2.777 -0.647 4.658) 5.461 20.883 ( -2.045 2.771 -0.812) 3.538 20.947 ( -2.954 -3.737 -1.120) 4.893 20.976 ( 1.709 0.778 2.613) 3.218 21.004 ( 6.002 -1.531 -0.038) 6.194 21.214 ( -4.632 7.031 -2.293) 8.726 21.312 ( -0.617 -1.067 -1.345) 1.824 21.324 ( 1.272 -0.020 0.359) 1.321 21.345 ( -2.142 -3.766 -0.706) 4.390 21.413 ( -3.425 0.546 -3.954) 5.260 21.430 ( -6.188 -1.474 -5.059) 8.127 21.703 ( 2.181 0.039 3.945) 4.508 21.705 ( 1.440 -0.103 4.482) 4.708 21.965 ( -9.513 5.669 -3.481) 11.608 22.072 ( -13.069 -4.883 -5.003) 14.821 ======================= Grid point 40 (20/30) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -10.243 5.192 6.035) 12.972 1.741 ( 10.243 5.192 6.035) 12.972 1.939 ( -5.555 -14.174 0.274) 15.226 1.939 ( 5.555 -14.174 0.274) 15.226 2.154 ( -1.911 11.455 7.471) 13.809 2.154 ( 1.911 11.455 7.471) 13.809 2.322 ( -1.431 -5.981 6.242) 8.762 2.322 ( 1.431 -5.981 6.242) 8.762 2.665 ( -8.721 6.265 -2.168) 10.954 2.665 ( 8.721 6.265 -2.168) 10.954 2.729 ( -5.667 3.961 -1.757) 7.134 2.729 ( 5.667 3.961 -1.757) 7.134 2.882 ( -7.066 2.640 3.830) 8.460 2.882 ( 7.066 2.640 3.830) 8.460 3.016 ( -3.536 -1.605 -0.744) 3.953 3.016 ( 3.536 -1.605 -0.744) 3.953 3.144 ( -2.282 -4.915 3.951) 6.706 3.144 ( 2.282 -4.915 3.951) 6.706 3.213 ( -4.869 -4.826 -0.013) 6.856 3.213 ( 4.869 -4.826 -0.013) 6.856 3.299 ( -5.590 4.459 1.558) 7.318 3.299 ( 5.590 4.459 1.558) 7.318 3.421 ( -1.693 -6.510 2.283) 7.103 3.421 ( 1.693 -6.510 2.283) 7.103 3.595 ( -5.715 1.085 3.339) 6.708 3.595 ( 5.715 1.085 3.339) 6.708 3.652 ( -2.805 -3.798 4.100) 6.253 3.652 ( 2.805 -3.798 4.100) 6.253 3.701 ( -2.934 5.652 -3.712) 7.371 3.701 ( 2.934 5.652 -3.712) 7.371 3.842 ( -5.976 -6.670 -5.375) 10.445 3.842 ( 5.976 -6.670 -5.375) 10.445 3.925 ( -5.039 6.987 -0.715) 8.644 3.925 ( 5.039 6.987 -0.715) 8.644 4.031 ( -3.900 0.302 -1.955) 4.373 4.031 ( 3.900 0.302 -1.955) 4.373 4.123 ( -1.871 -0.081 1.255) 2.254 4.123 ( 1.871 -0.081 1.255) 2.255 4.170 ( -3.542 -0.023 2.320) 4.235 4.170 ( 3.542 -0.023 2.320) 4.235 4.241 ( -1.703 4.927 2.198) 5.658 4.241 ( 1.703 4.927 2.198) 5.658 4.377 ( -2.933 -2.748 2.835) 4.919 4.377 ( 2.933 -2.748 2.835) 4.919 4.481 ( -3.262 -0.015 -2.168) 3.916 4.481 ( 3.262 -0.015 -2.168) 3.917 4.534 ( -1.641 -2.848 -2.976) 4.434 4.534 ( 1.641 -2.848 -2.976) 4.434 4.695 ( -0.531 0.893 -1.203) 1.590 4.695 ( 0.531 0.893 -1.203) 1.590 4.728 ( -3.644 -0.946 -1.613) 4.095 4.728 ( 3.644 -0.946 -1.613) 4.095 4.801 ( -1.559 5.250 1.421) 5.658 4.801 ( 1.559 5.250 1.421) 5.658 4.929 ( -3.852 -0.382 0.959) 3.988 4.929 ( 3.852 -0.382 0.959) 3.988 4.974 ( -1.682 0.397 -2.361) 2.926 4.974 ( 1.682 0.397 -2.361) 2.926 5.046 ( -2.177 -1.114 -2.665) 3.617 5.046 ( 2.177 -1.114 -2.665) 3.617 5.172 ( -4.890 0.355 5.231) 7.169 5.172 ( 4.890 0.355 5.231) 7.169 5.249 ( -4.193 -4.661 1.767) 6.514 5.249 ( 4.193 -4.661 1.767) 6.514 5.328 ( -2.297 -0.292 1.344) 2.678 5.328 ( 2.297 -0.292 1.344) 2.678 5.373 ( -3.861 -4.159 3.662) 6.754 5.373 ( 3.861 -4.159 3.662) 6.754 5.539 ( -0.471 4.919 -0.030) 4.942 5.539 ( 0.471 4.919 -0.030) 4.942 5.596 ( -3.121 3.251 -1.295) 4.689 5.596 ( 3.121 3.251 -1.295) 4.689 5.642 ( -2.897 -1.980 1.794) 3.941 5.642 ( 2.897 -1.980 1.794) 3.941 5.690 ( -5.554 -0.352 1.262) 5.706 5.690 ( 5.554 -0.352 1.262) 5.706 5.719 ( -3.072 0.348 -0.615) 3.152 5.719 ( 3.072 0.348 -0.615) 3.152 5.767 ( -4.758 -1.223 2.585) 5.551 5.767 ( 4.758 -1.223 2.585) 5.551 5.835 ( -2.509 2.400 3.813) 5.157 5.835 ( 2.509 2.400 3.813) 5.157 5.929 ( -0.524 -6.594 1.890) 6.879 5.929 ( 0.524 -6.594 1.890) 6.879 6.072 ( -2.095 1.213 1.335) 2.765 6.072 ( 2.095 1.213 1.335) 2.765 6.092 ( -0.493 -0.749 -1.235) 1.526 6.092 ( 0.493 -0.749 -1.235) 1.526 6.195 ( -2.513 2.862 -2.025) 4.313 6.195 ( 2.513 2.862 -2.025) 4.313 6.216 ( -2.405 2.154 -1.240) 3.459 6.216 ( 2.405 2.154 -1.240) 3.459 6.349 ( -0.758 5.956 0.556) 6.029 6.349 ( 0.758 5.956 0.556) 6.029 6.417 ( -0.718 -0.173 2.046) 2.175 6.417 ( 0.718 -0.173 2.046) 2.175 6.501 ( -4.013 -1.463 -0.329) 4.284 6.501 ( 4.013 -1.463 -0.329) 4.284 6.538 ( -2.558 -3.222 0.289) 4.124 6.538 ( 2.558 -3.222 0.289) 4.124 6.648 ( -2.710 1.912 0.045) 3.317 6.648 ( 2.710 1.912 0.045) 3.317 6.705 ( -1.125 -1.642 -0.799) 2.145 6.705 ( 1.125 -1.642 -0.799) 2.145 6.787 ( -1.221 2.672 -0.683) 3.016 6.787 ( 1.221 2.672 -0.683) 3.016 6.859 ( -1.216 -2.306 -0.415) 2.640 6.859 ( 1.216 -2.306 -0.415) 2.640 6.919 ( -2.056 3.274 0.962) 3.984 6.919 ( 2.056 3.274 0.962) 3.984 6.974 ( -4.478 1.229 0.981) 4.745 6.974 ( 4.478 1.229 0.981) 4.746 7.086 ( -2.124 -2.872 -3.370) 4.911 7.086 ( 2.124 -2.872 -3.370) 4.911 7.123 ( -1.991 -3.818 0.270) 4.314 7.123 ( 1.991 -3.818 0.270) 4.314 7.180 ( -1.389 0.406 -0.059) 1.449 7.180 ( 1.389 0.406 -0.059) 1.449 7.232 ( -2.570 -3.783 1.682) 4.873 7.232 ( 2.570 -3.783 1.682) 4.873 7.423 ( -2.836 3.234 -0.985) 4.413 7.423 ( 2.836 3.234 -0.985) 4.413 7.453 ( -1.443 2.508 -1.514) 3.266 7.453 ( 1.443 2.508 -1.514) 3.266 7.478 ( -2.154 -0.037 0.044) 2.155 7.478 ( 2.154 -0.037 0.044) 2.155 7.539 ( -1.525 -0.613 -1.072) 1.962 7.539 ( 1.525 -0.613 -1.072) 1.962 7.582 ( -2.500 -0.716 -1.166) 2.850 7.582 ( 2.500 -0.716 -1.166) 2.850 7.661 ( -1.149 -7.638 -1.999) 7.978 7.661 ( 1.149 -7.638 -1.999) 7.978 7.862 ( -8.192 6.972 -0.072) 10.757 7.862 ( 8.192 6.972 -0.072) 10.757 7.951 ( -5.608 -1.893 -2.011) 6.251 7.951 ( 5.608 -1.893 -2.011) 6.251 8.023 ( -1.765 3.400 -0.512) 3.865 8.023 ( 1.765 3.400 -0.512) 3.865 8.081 ( -1.358 -1.717 -2.607) 3.404 8.081 ( 1.358 -1.717 -2.607) 3.404 8.151 ( -0.252 1.264 1.076) 1.679 8.151 ( 0.252 1.264 1.076) 1.679 8.207 ( -3.217 -4.028 3.167) 6.050 8.207 ( 3.217 -4.028 3.167) 6.050 8.447 ( -1.935 4.412 0.111) 4.819 8.447 ( 1.935 4.412 0.111) 4.819 8.524 ( -2.406 1.893 -0.635) 3.127 8.524 ( 2.406 1.893 -0.635) 3.127 8.614 ( -2.946 0.771 -1.778) 3.527 8.614 ( 2.946 0.771 -1.778) 3.527 8.686 ( -2.584 -2.224 -3.559) 4.928 8.686 ( 2.584 -2.224 -3.559) 4.928 8.759 ( -1.817 -0.525 -2.963) 3.515 8.759 ( 1.817 -0.525 -2.963) 3.515 8.787 ( -2.529 -2.114 -0.924) 3.423 8.787 ( 2.529 -2.114 -0.924) 3.423 8.868 ( -4.748 7.638 -3.597) 9.686 8.868 ( 4.748 7.638 -3.597) 9.686 9.094 ( -8.022 -13.025 -5.488) 16.252 9.094 ( 8.022 -13.025 -5.488) 16.252 9.369 ( -3.440 8.736 1.960) 9.591 9.369 ( 3.440 8.736 1.960) 9.591 9.528 ( -2.965 -5.695 3.745) 7.433 9.528 ( 2.965 -5.695 3.745) 7.433 9.602 ( -1.382 7.470 -3.031) 8.179 9.602 ( 1.382 7.470 -3.031) 8.179 9.719 ( -3.272 -1.110 -0.028) 3.455 9.719 ( 3.272 -1.110 -0.028) 3.455 9.796 ( -2.218 1.317 -2.958) 3.925 9.796 ( 2.218 1.317 -2.958) 3.925 9.883 ( -0.554 -5.721 -0.305) 5.756 9.883 ( 0.554 -5.721 -0.305) 5.756 10.099 ( -5.325 5.226 -3.218) 8.126 10.099 ( 5.325 5.226 -3.218) 8.126 10.190 ( -7.186 -3.943 -5.504) 9.873 10.190 ( 7.186 -3.943 -5.504) 9.873 10.570 ( -3.013 2.354 1.658) 4.167 10.570 ( 3.013 2.354 1.658) 4.167 10.623 ( -3.129 -2.662 2.307) 4.711 10.623 ( 3.129 -2.662 2.306) 4.711 10.704 ( -3.121 1.434 0.567) 3.481 10.704 ( 3.121 1.434 0.567) 3.481 10.736 ( -2.737 -1.577 0.034) 3.159 10.736 ( 2.737 -1.577 0.034) 3.159 11.995 ( -1.696 2.280 0.793) 2.950 11.995 ( 1.696 2.280 0.793) 2.950 12.036 ( -1.894 -1.644 -0.075) 2.509 12.036 ( 1.894 -1.644 -0.075) 2.509 12.523 ( -2.241 1.719 2.837) 4.003 12.523 ( 2.241 1.719 2.837) 4.003 12.563 ( -1.460 -2.052 2.281) 3.398 12.563 ( 1.460 -2.052 2.281) 3.398 12.845 ( -3.134 2.020 3.431) 5.067 12.845 ( 3.134 2.020 3.431) 5.067 12.908 ( -2.843 -4.273 4.403) 6.763 12.908 ( 2.843 -4.273 4.403) 6.763 13.061 ( -4.638 3.899 1.168) 6.171 13.061 ( 4.638 3.899 1.168) 6.171 13.129 ( -3.625 -2.974 0.812) 4.759 13.129 ( 3.625 -2.974 0.812) 4.759 13.230 ( -1.766 3.466 0.134) 3.892 13.230 ( 1.766 3.466 0.134) 3.892 13.281 ( -2.747 -1.407 -0.185) 3.092 13.281 ( 2.747 -1.407 -0.185) 3.092 13.484 ( -1.928 0.319 -1.765) 2.633 13.484 ( 1.928 0.319 -1.765) 2.633 13.498 ( -1.991 -0.918 -1.273) 2.535 13.498 ( 1.991 -0.918 -1.273) 2.535 19.007 ( -1.842 2.320 0.890) 3.093 19.007 ( 1.842 2.320 0.890) 3.093 19.065 ( -1.315 -3.658 0.016) 3.887 19.065 ( 1.315 -3.658 0.016) 3.887 19.196 ( -0.699 2.779 -2.008) 3.499 19.196 ( 0.699 2.779 -2.008) 3.499 19.236 ( -1.124 -1.506 -2.406) 3.053 19.236 ( 1.124 -1.506 -2.406) 3.053 19.725 ( -2.873 1.956 5.428) 6.446 19.725 ( 2.873 1.956 5.428) 6.446 19.776 ( -3.055 -3.179 5.313) 6.904 19.776 ( 3.055 -3.179 5.313) 6.904 20.079 ( -5.902 4.443 -2.382) 7.762 20.079 ( 5.902 4.443 -2.382) 7.762 20.154 ( -7.412 -3.056 -4.497) 9.192 20.154 ( 7.412 -3.056 -4.497) 9.192 20.818 ( -2.795 1.354 3.028) 4.337 20.818 ( 2.795 1.354 3.028) 4.337 20.857 ( -4.203 -2.770 1.416) 5.229 20.857 ( 4.203 -2.770 1.416) 5.229 21.085 ( -6.548 4.752 -1.350) 8.203 21.085 ( 6.548 4.752 -1.350) 8.203 21.167 ( -8.817 -3.485 -2.906) 9.916 21.167 ( 8.817 -3.485 -2.906) 9.916 21.356 ( -1.774 0.084 -0.475) 1.839 21.356 ( 1.774 0.084 -0.475) 1.839 21.359 ( -1.663 -0.191 -0.288) 1.699 21.359 ( 1.663 -0.191 -0.288) 1.699 21.791 ( -6.513 2.099 0.051) 6.843 21.791 ( 6.513 2.099 0.051) 6.843 21.833 ( -9.076 -1.965 -0.955) 9.335 21.833 ( 9.076 -1.965 -0.955) 9.335 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 0.000 30.000) 30.000 1.337 ( 0.000 0.000 30.819) 30.819 1.837 ( 0.000 0.000 -22.081) 22.081 1.874 ( 0.000 0.000 -20.592) 20.592 2.113 ( 0.000 0.000 5.967) 5.967 2.119 ( 0.000 0.000 4.694) 4.694 2.149 ( 0.000 0.000 22.058) 22.058 2.383 ( 0.000 0.000 5.010) 5.010 2.396 ( 0.000 0.000 36.218) 36.218 2.486 ( 0.000 0.000 -1.557) 1.557 2.657 ( 0.000 0.000 1.317) 1.317 2.681 ( 0.000 0.000 -0.289) 0.289 2.686 ( 0.000 0.000 -12.641) 12.641 2.778 ( 0.000 0.000 6.128) 6.128 2.978 ( 0.000 0.000 -9.258) 9.258 3.025 ( 0.000 0.000 -17.582) 17.582 3.108 ( 0.000 0.000 13.050) 13.050 3.177 ( 0.000 0.000 0.142) 0.142 3.221 ( 0.000 0.000 1.460) 1.460 3.238 ( 0.000 0.000 6.186) 6.186 3.309 ( 0.000 0.000 9.243) 9.243 3.368 ( 0.000 0.000 1.468) 1.468 3.405 ( 0.000 0.000 -4.250) 4.250 3.452 ( 0.000 0.000 -10.312) 10.312 3.558 ( 0.000 0.000 0.703) 0.703 3.574 ( 0.000 0.000 11.467) 11.467 3.579 ( 0.000 0.000 -4.629) 4.629 3.627 ( 0.000 0.000 -2.610) 2.610 3.729 ( 0.000 0.000 -1.817) 1.817 3.774 ( 0.000 0.000 1.051) 1.051 3.800 ( 0.000 0.000 4.568) 4.568 3.828 ( 0.000 0.000 10.793) 10.793 3.890 ( 0.000 0.000 9.710) 9.710 3.929 ( 0.000 0.000 -3.631) 3.631 3.959 ( 0.000 0.000 1.362) 1.362 3.980 ( 0.000 0.000 9.583) 9.583 3.989 ( 0.000 0.000 0.404) 0.404 4.034 ( 0.000 0.000 -9.480) 9.480 4.062 ( 0.000 0.000 2.780) 2.780 4.124 ( 0.000 0.000 -2.840) 2.840 4.184 ( 0.000 0.000 -6.391) 6.391 4.187 ( 0.000 0.000 10.289) 10.289 4.193 ( 0.000 0.000 -3.423) 3.423 4.214 ( 0.000 0.000 0.981) 0.981 4.312 ( 0.000 0.000 1.179) 1.179 4.338 ( 0.000 0.000 8.034) 8.034 4.365 ( 0.000 0.000 -9.898) 9.898 4.404 ( 0.000 0.000 -11.218) 11.218 4.555 ( 0.000 0.000 3.090) 3.090 4.620 ( 0.000 0.000 -9.983) 9.983 4.637 ( 0.000 0.000 -7.517) 7.517 4.671 ( 0.000 0.000 -5.294) 5.294 4.814 ( 0.000 0.000 -4.875) 4.875 4.863 ( 0.000 0.000 -8.981) 8.981 4.876 ( 0.000 0.000 6.708) 6.708 4.909 ( 0.000 0.000 6.921) 6.921 4.987 ( 0.000 0.000 2.907) 2.907 4.990 ( 0.000 0.000 2.586) 2.586 5.047 ( 0.000 0.000 -4.446) 4.446 5.050 ( 0.000 0.000 -0.382) 0.382 5.120 ( 0.000 0.000 4.346) 4.346 5.164 ( 0.000 0.000 12.158) 12.158 5.172 ( 0.000 0.000 10.605) 10.605 5.255 ( 0.000 0.000 6.027) 6.027 5.262 ( 0.000 0.000 -10.510) 10.510 5.280 ( 0.000 0.000 9.705) 9.705 5.340 ( 0.000 0.000 -4.389) 4.389 5.354 ( 0.000 0.000 2.557) 2.557 5.376 ( 0.000 0.000 -2.278) 2.278 5.485 ( 0.000 0.000 -2.443) 2.443 5.504 ( 0.000 0.000 -2.756) 2.756 5.511 ( 0.000 0.000 4.571) 4.571 5.606 ( 0.000 0.000 -7.538) 7.538 5.644 ( 0.000 0.000 -8.809) 8.809 5.707 ( 0.000 0.000 -7.397) 7.397 5.738 ( 0.000 0.000 -10.147) 10.147 5.857 ( 0.000 0.000 1.670) 1.670 5.860 ( 0.000 0.000 1.148) 1.148 5.868 ( 0.000 0.000 -1.368) 1.368 5.896 ( 0.000 0.000 1.507) 1.507 5.924 ( 0.000 0.000 -5.736) 5.736 6.003 ( 0.000 0.000 -3.843) 3.843 6.013 ( 0.000 0.000 -2.941) 2.941 6.052 ( 0.000 0.000 -5.564) 5.564 6.066 ( 0.000 0.000 5.085) 5.085 6.078 ( 0.000 0.000 2.976) 2.976 6.155 ( 0.000 0.000 0.350) 0.350 6.160 ( 0.000 0.000 0.936) 0.936 6.217 ( 0.000 0.000 -7.022) 7.022 6.225 ( 0.000 0.000 -6.664) 6.664 6.284 ( 0.000 0.000 7.643) 7.643 6.388 ( 0.000 0.000 6.352) 6.352 6.390 ( 0.000 0.000 -3.396) 3.396 6.438 ( 0.000 0.000 6.080) 6.080 6.463 ( 0.000 0.000 0.191) 0.191 6.505 ( 0.000 0.000 0.357) 0.357 6.511 ( 0.000 0.000 -1.394) 1.394 6.533 ( 0.000 0.000 -2.723) 2.723 6.559 ( 0.000 0.000 3.611) 3.611 6.588 ( 0.000 0.000 -1.774) 1.774 6.611 ( 0.000 0.000 0.348) 0.348 6.629 ( 0.000 0.000 -2.955) 2.955 6.665 ( 0.000 0.000 -3.463) 3.463 6.723 ( 0.000 0.000 -6.774) 6.774 6.807 ( 0.000 0.000 3.298) 3.298 6.868 ( 0.000 0.000 7.732) 7.732 6.901 ( 0.000 0.000 10.194) 10.194 6.909 ( 0.000 0.000 4.646) 4.646 6.936 ( 0.000 0.000 -4.849) 4.849 6.957 ( 0.000 0.000 3.362) 3.362 6.982 ( 0.000 0.000 -0.579) 0.579 6.993 ( 0.000 0.000 4.685) 4.685 6.996 ( 0.000 0.000 -2.337) 2.337 7.001 ( 0.000 0.000 -1.674) 1.674 7.018 ( 0.000 0.000 -0.929) 0.929 7.104 ( 0.000 0.000 -13.018) 13.018 7.144 ( 0.000 0.000 4.197) 4.197 7.166 ( 0.000 0.000 -4.040) 4.040 7.177 ( 0.000 0.000 3.450) 3.450 7.179 ( 0.000 0.000 -8.912) 8.912 7.231 ( 0.000 0.000 -1.821) 1.821 7.276 ( 0.000 0.000 -2.907) 2.907 7.314 ( 0.000 0.000 -6.971) 6.971 7.340 ( 0.000 0.000 -8.796) 8.796 7.478 ( 0.000 0.000 0.571) 0.571 7.517 ( 0.000 0.000 -3.478) 3.478 7.524 ( 0.000 0.000 4.307) 4.307 7.621 ( 0.000 0.000 -0.994) 0.994 7.725 ( 0.000 0.000 -0.712) 0.712 7.734 ( 0.000 0.000 0.435) 0.435 7.738 ( 0.000 0.000 -3.279) 3.279 7.748 ( 0.000 0.000 -0.429) 0.429 7.835 ( 0.000 0.000 0.092) 0.092 7.852 ( 0.000 0.000 -0.869) 0.869 7.891 ( 0.000 0.000 2.534) 2.534 7.895 ( 0.000 0.000 1.177) 1.177 7.923 ( 0.000 0.000 -0.450) 0.450 7.943 ( 0.000 0.000 2.559) 2.559 7.950 ( 0.000 0.000 -2.654) 2.654 7.983 ( 0.000 0.000 -1.307) 1.307 8.103 ( 0.000 0.000 5.139) 5.139 8.157 ( 0.000 0.000 -1.207) 1.207 8.303 ( 0.000 0.000 3.809) 3.809 8.362 ( 0.000 0.000 7.980) 7.980 8.380 ( 0.000 0.000 -3.911) 3.911 8.505 ( 0.000 0.000 -5.873) 5.873 8.544 ( 0.000 0.000 5.178) 5.178 8.636 ( 0.000 0.000 -3.817) 3.817 8.683 ( 0.000 0.000 4.496) 4.496 8.702 ( 0.000 0.000 7.411) 7.411 8.752 ( 0.000 0.000 -2.571) 2.571 8.821 ( 0.000 0.000 -4.174) 4.174 8.894 ( 0.000 0.000 4.370) 4.370 8.949 ( 0.000 0.000 -0.555) 0.555 8.951 ( 0.000 0.000 -0.286) 0.286 8.958 ( 0.000 0.000 -0.606) 0.606 8.985 ( 0.000 0.000 -0.364) 0.364 9.015 ( 0.000 0.000 -2.882) 2.882 9.038 ( 0.000 0.000 0.909) 0.909 9.057 ( 0.000 0.000 -0.818) 0.818 9.316 ( 0.000 0.000 4.610) 4.610 9.362 ( 0.000 0.000 -0.998) 0.998 9.472 ( 0.000 0.000 -0.333) 0.333 9.481 ( 0.000 0.000 -1.103) 1.103 9.535 ( 0.000 0.000 9.755) 9.755 9.604 ( 0.000 0.000 2.220) 2.220 9.755 ( 0.000 0.000 2.034) 2.034 9.760 ( 0.000 0.000 1.651) 1.651 9.791 ( 0.000 0.000 1.389) 1.389 9.867 ( 0.000 0.000 0.481) 0.481 9.955 ( 0.000 0.000 4.416) 4.416 9.968 ( 0.000 0.000 3.465) 3.465 10.186 ( 0.000 0.000 15.810) 15.810 10.190 ( 0.000 0.000 -0.830) 0.830 10.291 ( 0.000 0.000 -6.799) 6.799 10.491 ( 0.000 0.000 0.819) 0.819 10.515 ( 0.000 0.000 -15.859) 15.859 10.529 ( 0.000 0.000 5.102) 5.102 10.540 ( 0.000 0.000 -4.112) 4.112 10.623 ( 0.000 0.000 -2.777) 2.777 10.742 ( 0.000 0.000 1.168) 1.168 10.793 ( 0.000 0.000 -4.645) 4.645 10.798 ( 0.000 0.000 0.244) 0.244 10.803 ( 0.000 0.000 -0.878) 0.878 11.910 ( 0.000 0.000 0.354) 0.354 11.926 ( 0.000 0.000 -1.228) 1.228 12.221 ( 0.000 0.000 -0.307) 0.307 12.266 ( 0.000 0.000 -4.304) 4.304 12.412 ( 0.000 0.000 0.914) 0.914 12.487 ( 0.000 0.000 -6.865) 6.865 12.684 ( 0.000 0.000 3.854) 3.854 12.711 ( 0.000 0.000 4.799) 4.799 12.751 ( 0.000 0.000 -2.673) 2.673 12.781 ( 0.000 0.000 -0.947) 0.947 12.795 ( 0.000 0.000 -4.178) 4.178 12.840 ( 0.000 0.000 -6.719) 6.719 13.018 ( 0.000 0.000 -0.131) 0.131 13.042 ( 0.000 0.000 -2.521) 2.521 13.101 ( 0.000 0.000 -0.316) 0.316 13.101 ( 0.000 0.000 -0.743) 0.743 13.267 ( 0.000 0.000 1.088) 1.088 13.284 ( 0.000 0.000 -0.720) 0.720 13.374 ( 0.000 0.000 2.820) 2.820 13.406 ( 0.000 0.000 -0.387) 0.387 13.861 ( 0.000 0.000 6.552) 6.552 13.868 ( 0.000 0.000 4.200) 4.200 13.878 ( 0.000 0.000 3.090) 3.090 13.905 ( 0.000 0.000 2.281) 2.281 18.911 ( 0.000 0.000 1.439) 1.439 18.954 ( 0.000 0.000 -2.985) 2.985 19.013 ( 0.000 0.000 -0.596) 0.596 19.019 ( 0.000 0.000 -1.208) 1.208 19.255 ( 0.000 0.000 2.108) 2.108 19.271 ( 0.000 0.000 0.794) 0.794 19.301 ( 0.000 0.000 1.022) 1.022 19.319 ( 0.000 0.000 -0.725) 0.725 19.818 ( 0.000 0.000 2.691) 2.691 19.869 ( 0.000 0.000 -2.462) 2.462 19.883 ( 0.000 0.000 3.991) 3.991 19.897 ( 0.000 0.000 7.645) 7.645 20.058 ( 0.000 0.000 4.850) 4.850 20.086 ( 0.000 0.000 2.901) 2.901 20.163 ( 0.000 0.000 -4.684) 4.684 20.282 ( 0.000 0.000 -12.346) 12.346 20.854 ( 0.000 0.000 5.564) 5.564 20.905 ( 0.000 0.000 5.102) 5.102 20.944 ( 0.000 0.000 -3.390) 3.390 21.002 ( 0.000 0.000 -4.181) 4.181 21.082 ( 0.000 0.000 1.151) 1.151 21.095 ( 0.000 0.000 -0.784) 0.784 21.185 ( 0.000 0.000 3.685) 3.685 21.258 ( 0.000 0.000 -3.459) 3.459 21.273 ( 0.000 0.000 1.101) 1.101 21.317 ( 0.000 0.000 2.967) 2.967 21.324 ( 0.000 0.000 -3.960) 3.960 21.397 ( 0.000 0.000 -4.845) 4.845 22.105 ( 0.000 0.000 11.548) 11.548 22.136 ( 0.000 0.000 1.710) 1.710 22.175 ( 0.000 0.000 -2.097) 2.097 22.342 ( 0.000 0.000 -12.227) 12.227 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.538 0.000 28.428) 29.170 1.462 ( 13.766 0.000 23.678) 27.389 1.920 ( 7.061 0.000 -19.042) 20.309 1.922 ( 4.427 0.000 -16.424) 17.010 2.083 ( -2.103 0.000 6.671) 6.995 2.117 ( 0.812 0.000 4.841) 4.908 2.186 ( 2.516 0.000 23.604) 23.738 2.404 ( -0.585 0.000 7.638) 7.661 2.463 ( 1.444 0.000 -5.380) 5.570 2.468 ( 0.360 0.000 9.391) 9.398 2.591 ( 4.197 0.000 7.101) 8.249 2.668 ( -8.015 0.000 5.846) 9.920 2.713 ( 1.700 0.000 -0.363) 1.738 2.767 ( 1.404 0.000 -5.297) 5.480 2.921 ( -2.316 0.000 -5.402) 5.877 3.028 ( 0.784 0.000 -2.592) 2.708 3.128 ( -4.114 0.000 5.165) 6.603 3.183 ( 4.423 0.000 -2.227) 4.952 3.186 ( -0.038 0.000 0.073) 0.082 3.266 ( 3.894 0.000 5.410) 6.666 3.332 ( -3.737 0.000 -8.227) 9.035 3.368 ( 1.878 0.000 6.596) 6.858 3.415 ( -2.155 0.000 -1.417) 2.579 3.488 ( 6.248 0.000 -2.739) 6.822 3.523 ( -0.294 0.000 4.731) 4.740 3.540 ( -0.179 0.000 0.940) 0.957 3.625 ( 1.023 0.000 8.205) 8.269 3.673 ( -3.247 0.000 1.010) 3.400 3.747 ( 0.019 0.000 -3.058) 3.058 3.751 ( -0.561 0.000 1.419) 1.526 3.778 ( -3.041 0.000 8.814) 9.324 3.827 ( -1.932 0.000 7.627) 7.868 3.842 ( 3.487 0.000 -2.691) 4.405 3.869 ( 2.233 0.000 3.317) 3.998 3.919 ( -0.095 0.000 -4.524) 4.525 3.962 ( -4.097 0.000 -8.141) 9.114 4.044 ( 2.036 0.000 1.867) 2.762 4.068 ( -2.582 0.000 -4.505) 5.192 4.100 ( 3.879 0.000 2.049) 4.387 4.195 ( 4.288 0.000 11.762) 12.519 4.229 ( 8.812 0.000 -2.239) 9.092 4.265 ( 6.376 0.000 6.744) 9.281 4.302 ( 5.738 0.000 -7.490) 9.435 4.316 ( 9.656 0.000 -2.522) 9.980 4.355 ( 1.501 0.000 3.753) 4.042 4.399 ( 6.826 0.000 -1.798) 7.059 4.421 ( 1.794 0.000 -9.827) 9.990 4.453 ( 4.342 0.000 -4.178) 6.026 4.580 ( 2.527 0.000 1.746) 3.072 4.612 ( -1.630 0.000 -2.300) 2.819 4.667 ( 3.429 0.000 -2.500) 4.244 4.697 ( 1.200 0.000 -1.360) 1.814 4.817 ( -0.095 0.000 -3.608) 3.609 4.821 ( -3.855 0.000 5.778) 6.946 4.907 ( -1.750 0.000 4.390) 4.726 4.910 ( 0.126 0.000 -5.152) 5.154 4.965 ( 0.280 0.000 -0.421) 0.506 5.001 ( 1.669 0.000 1.481) 2.232 5.016 ( -2.309 0.000 -7.472) 7.821 5.042 ( -0.317 0.000 0.593) 0.672 5.091 ( -1.271 0.000 3.810) 4.016 5.140 ( -2.458 0.000 3.982) 4.680 5.179 ( -0.423 0.000 5.988) 6.003 5.213 ( 0.826 0.000 5.893) 5.951 5.263 ( -0.674 0.000 10.434) 10.456 5.316 ( 0.581 0.000 -2.567) 2.632 5.318 ( -0.358 0.000 -5.649) 5.660 5.361 ( -1.312 0.000 -0.091) 1.315 5.406 ( 3.702 0.000 -0.240) 3.709 5.432 ( -1.543 0.000 -0.433) 1.603 5.554 ( 1.926 0.000 -0.530) 1.998 5.572 ( 4.219 0.000 -4.133) 5.906 5.587 ( -0.784 0.000 -6.572) 6.619 5.626 ( -1.211 0.000 -6.766) 6.874 5.691 ( -0.350 0.000 -1.552) 1.591 5.756 ( -0.992 0.000 -6.695) 6.768 5.783 ( -3.909 0.000 -0.826) 3.995 5.817 ( -0.845 0.000 4.752) 4.827 5.857 ( -0.084 0.000 -6.051) 6.051 5.901 ( -1.414 0.000 3.037) 3.350 5.949 ( 0.539 0.000 -7.018) 7.039 6.016 ( 0.524 0.000 -2.787) 2.836 6.029 ( 0.073 0.000 0.771) 0.775 6.033 ( -0.276 0.000 3.124) 3.136 6.062 ( -0.635 0.000 0.025) 0.636 6.070 ( -6.778 0.000 1.890) 7.037 6.105 ( 1.857 0.000 3.757) 4.191 6.171 ( 1.109 0.000 -3.787) 3.946 6.207 ( -8.308 0.000 -0.451) 8.320 6.237 ( -2.337 0.000 -5.663) 6.126 6.264 ( 1.404 0.000 3.383) 3.663 6.273 ( 2.036 0.000 -4.912) 5.317 6.341 ( -1.468 0.000 1.018) 1.787 6.396 ( -4.073 0.000 -3.998) 5.707 6.429 ( -4.017 0.000 -2.093) 4.530 6.450 ( -1.312 0.000 -1.050) 1.681 6.519 ( -1.166 0.000 -1.195) 1.669 6.523 ( 0.882 0.000 1.464) 1.709 6.581 ( 0.327 0.000 3.003) 3.021 6.620 ( 0.675 0.000 0.136) 0.689 6.654 ( -1.619 0.000 0.927) 1.866 6.708 ( 3.933 0.000 -0.534) 3.969 6.723 ( 4.865 0.000 0.403) 4.882 6.748 ( 0.297 0.000 -2.201) 2.221 6.810 ( 1.306 0.000 0.823) 1.543 6.837 ( -5.008 0.000 1.428) 5.207 6.850 ( -1.504 0.000 3.265) 3.594 6.898 ( -2.904 0.000 0.029) 2.904 6.921 ( 3.925 0.000 3.500) 5.259 6.942 ( -2.483 0.000 2.323) 3.400 6.968 ( -0.333 0.000 3.853) 3.867 6.971 ( 0.986 0.000 2.600) 2.781 7.009 ( 1.591 0.000 2.847) 3.261 7.035 ( 2.381 0.000 -2.177) 3.226 7.085 ( 2.205 0.000 -0.999) 2.421 7.105 ( -0.934 0.000 -4.072) 4.178 7.125 ( -1.944 0.000 -5.848) 6.162 7.153 ( 0.138 0.000 -7.094) 7.095 7.194 ( 3.526 0.000 -2.975) 4.613 7.219 ( 1.662 0.000 -2.653) 3.131 7.251 ( 0.293 0.000 2.769) 2.785 7.302 ( 1.232 0.000 -3.387) 3.604 7.303 ( 2.653 0.000 -3.989) 4.791 7.366 ( 0.549 0.000 -4.008) 4.045 7.372 ( -5.938 0.000 2.620) 6.490 7.464 ( -2.228 0.000 -2.235) 3.156 7.568 ( -0.341 0.000 -2.203) 2.229 7.569 ( 0.080 0.000 -1.676) 1.678 7.646 ( -3.614 0.000 0.778) 3.697 7.651 ( -6.804 0.000 0.479) 6.820 7.773 ( -2.948 0.000 2.556) 3.901 7.777 ( -2.387 0.000 1.881) 3.039 7.824 ( 3.269 0.000 -0.539) 3.313 7.840 ( -1.762 0.000 -1.958) 2.634 7.866 ( -0.128 0.000 0.627) 0.640 7.890 ( 6.215 0.000 -2.373) 6.652 7.995 ( 4.693 0.000 0.773) 4.756 8.002 ( 3.137 0.000 1.407) 3.438 8.054 ( 6.772 0.000 -0.501) 6.790 8.076 ( 4.993 0.000 -3.570) 6.138 8.151 ( 3.229 0.000 3.229) 4.567 8.178 ( 1.758 0.000 -0.111) 1.762 8.284 ( -2.002 0.000 4.107) 4.569 8.352 ( -2.400 0.000 -2.393) 3.388 8.394 ( 1.859 0.000 5.226) 5.547 8.508 ( -1.140 0.000 -5.478) 5.596 8.552 ( 0.330 0.000 5.194) 5.204 8.633 ( -1.514 0.000 -1.907) 2.435 8.669 ( -0.131 0.000 3.174) 3.177 8.714 ( -2.802 0.000 -0.568) 2.859 8.730 ( 1.370 0.000 6.447) 6.591 8.790 ( -6.020 0.000 1.132) 6.125 8.798 ( -6.383 0.000 2.558) 6.876 8.860 ( -0.970 0.000 -4.254) 4.363 8.903 ( -4.135 0.000 0.104) 4.136 8.925 ( -4.133 0.000 -1.698) 4.468 8.993 ( 1.107 0.000 1.305) 1.711 9.028 ( -0.162 0.000 1.785) 1.793 9.028 ( 1.343 0.000 -1.982) 2.394 9.067 ( -0.558 0.000 -1.581) 1.676 9.228 ( -5.742 0.000 8.532) 10.284 9.370 ( -0.613 0.000 -5.911) 5.943 9.475 ( 0.154 0.000 0.809) 0.823 9.482 ( 0.816 0.000 1.068) 1.344 9.571 ( 1.675 0.000 6.373) 6.590 9.667 ( 3.122 0.000 0.727) 3.206 9.734 ( -2.111 0.000 0.121) 2.114 9.743 ( -1.530 0.000 1.239) 1.969 9.813 ( 2.680 0.000 0.055) 2.680 9.827 ( -3.397 0.000 -0.483) 3.431 9.895 ( -4.362 0.000 2.051) 4.820 9.921 ( -2.466 0.000 -2.965) 3.856 10.087 ( -6.291 0.000 4.969) 8.016 10.178 ( -2.190 0.000 12.298) 12.491 10.236 ( -4.688 0.000 -7.690) 9.006 10.446 ( -4.188 0.000 -12.180) 12.880 10.478 ( 0.265 0.000 6.760) 6.765 10.514 ( 1.309 0.000 0.031) 1.310 10.567 ( -0.806 0.000 -1.379) 1.597 10.611 ( -1.155 0.000 -3.585) 3.767 10.807 ( 5.048 0.000 3.040) 5.892 10.854 ( 4.350 0.000 0.186) 4.354 10.892 ( 5.066 0.000 -1.200) 5.206 10.951 ( 6.916 0.000 -4.920) 8.487 11.909 ( 0.158 0.000 -0.090) 0.182 11.916 ( -0.572 0.000 -0.882) 1.051 12.225 ( 0.142 0.000 -0.317) 0.347 12.257 ( -0.862 0.000 -3.070) 3.189 12.388 ( -1.007 0.000 0.965) 1.395 12.461 ( -1.417 0.000 -6.404) 6.559 12.566 ( -8.165 0.000 3.722) 8.974 12.635 ( -6.856 0.000 -1.465) 7.011 12.746 ( -0.052 0.000 1.235) 1.236 12.767 ( 1.795 0.000 0.535) 1.873 12.816 ( -0.500 0.000 -4.730) 4.757 12.840 ( 2.807 0.000 -4.663) 5.443 13.058 ( 1.373 0.000 0.809) 1.594 13.089 ( 3.028 0.000 -2.410) 3.870 13.105 ( 0.885 0.000 -0.433) 0.985 13.125 ( 0.778 0.000 -2.397) 2.521 13.288 ( 2.208 0.000 0.603) 2.289 13.299 ( 1.404 0.000 -0.508) 1.493 13.310 ( -5.127 0.000 3.564) 6.244 13.363 ( -3.127 0.000 -1.540) 3.486 13.810 ( -5.273 0.000 4.005) 6.622 13.810 ( -5.190 0.000 4.796) 7.066 13.821 ( -4.734 0.000 5.011) 6.894 13.860 ( -4.173 0.000 2.120) 4.680 18.918 ( 0.705 0.000 1.467) 1.628 18.960 ( 0.675 0.000 -2.806) 2.887 19.021 ( 0.699 0.000 -0.211) 0.730 19.035 ( 1.374 0.000 -1.670) 2.162 19.227 ( -2.313 0.000 2.016) 3.068 19.247 ( -1.913 0.000 0.246) 1.929 19.289 ( -1.173 0.000 1.103) 1.610 19.309 ( -1.021 0.000 -0.821) 1.311 19.824 ( 0.616 0.000 2.132) 2.220 19.858 ( -0.780 0.000 -0.256) 0.821 19.887 ( 0.549 0.000 3.078) 3.126 19.894 ( -0.445 0.000 7.289) 7.303 20.014 ( -3.255 0.000 4.553) 5.596 20.050 ( -2.689 0.000 6.159) 6.721 20.146 ( -1.443 0.000 -5.611) 5.794 20.265 ( -1.601 0.000 -12.677) 12.778 20.830 ( -2.642 0.000 2.960) 3.967 20.842 ( -0.704 0.000 2.979) 3.061 20.962 ( -2.823 0.000 -0.116) 2.825 21.003 ( 1.381 0.000 -2.439) 2.803 21.031 ( -2.385 0.000 6.318) 6.753 21.111 ( 0.931 0.000 -1.507) 1.772 21.199 ( 0.302 0.000 5.682) 5.690 21.276 ( 0.409 0.000 0.782) 0.882 21.315 ( 0.085 0.000 0.758) 0.763 21.338 ( 4.436 0.000 -6.799) 8.119 21.350 ( 1.363 0.000 -2.711) 3.035 21.390 ( -0.357 0.000 -3.747) 3.764 22.039 ( -8.049 0.000 0.732) 8.083 22.039 ( -5.386 0.000 7.275) 9.052 22.118 ( -5.055 0.000 1.055) 5.164 22.327 ( -3.048 0.000 -14.196) 14.520 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 9.271 0.000 25.048) 26.709 1.841 ( 18.389 0.000 7.232) 19.760 2.022 ( 3.697 0.000 -5.020) 6.234 2.051 ( 3.200 0.000 2.094) 3.825 2.097 ( 3.798 0.000 -5.187) 6.429 2.150 ( 2.015 0.000 -2.764) 3.420 2.261 ( 5.063 0.000 17.783) 18.490 2.366 ( -0.317 0.000 2.026) 2.051 2.413 ( -0.000 0.000 -2.284) 2.284 2.445 ( -7.160 0.000 1.435) 7.302 2.631 ( 5.477 0.000 2.842) 6.170 2.673 ( -4.522 0.000 -3.893) 5.967 2.723 ( 0.661 0.000 3.285) 3.351 2.801 ( 7.507 0.000 -1.869) 7.736 2.942 ( 1.403 0.000 4.893) 5.091 3.034 ( 0.129 0.000 1.927) 1.932 3.162 ( 2.644 0.000 0.901) 2.793 3.181 ( 3.087 0.000 3.484) 4.654 3.261 ( 0.402 0.000 -7.940) 7.950 3.297 ( 3.850 0.000 -6.984) 7.975 3.349 ( 1.162 0.000 8.256) 8.337 3.378 ( -0.804 0.000 -2.226) 2.367 3.407 ( 4.096 0.000 -1.625) 4.406 3.529 ( -2.680 0.000 5.533) 6.148 3.543 ( -2.308 0.000 5.689) 6.139 3.553 ( 2.029 0.000 11.132) 11.316 3.583 ( -2.775 0.000 1.056) 2.970 3.623 ( 4.482 0.000 -5.923) 7.427 3.706 ( -3.805 0.000 -2.198) 4.394 3.741 ( -0.682 0.000 6.167) 6.204 3.756 ( 0.098 0.000 -7.337) 7.338 3.841 ( 1.650 0.000 6.321) 6.533 3.846 ( -2.709 0.000 5.644) 6.260 3.932 ( 1.480 0.000 -2.059) 2.536 3.945 ( 3.501 0.000 -4.079) 5.376 3.967 ( 4.768 0.000 0.759) 4.828 4.040 ( 0.754 0.000 -6.049) 6.096 4.048 ( -0.904 0.000 -1.021) 1.364 4.154 ( -0.476 0.000 5.131) 5.153 4.318 ( 3.632 0.000 4.495) 5.778 4.327 ( -1.152 0.000 -3.986) 4.149 4.336 ( -1.956 0.000 -0.694) 2.075 4.372 ( 4.826 0.000 5.330) 7.191 4.472 ( 7.105 0.000 -6.227) 9.448 4.482 ( 1.664 0.000 -5.003) 5.273 4.490 ( 0.877 0.000 2.314) 2.475 4.548 ( 6.379 0.000 -3.424) 7.240 4.550 ( 5.614 0.000 -0.664) 5.653 4.621 ( 1.161 0.000 1.445) 1.853 4.639 ( 6.514 0.000 -0.466) 6.530 4.687 ( -2.507 0.000 2.309) 3.408 4.703 ( -0.407 0.000 6.532) 6.545 4.758 ( -0.674 0.000 -0.863) 1.095 4.768 ( -3.416 0.000 -2.644) 4.320 4.852 ( -1.506 0.000 2.413) 2.844 4.853 ( -2.559 0.000 1.438) 2.935 4.960 ( -3.182 0.000 -2.102) 3.813 5.026 ( 4.038 0.000 -1.248) 4.227 5.036 ( 1.161 0.000 3.270) 3.470 5.071 ( 3.497 0.000 1.517) 3.812 5.088 ( -0.198 0.000 0.471) 0.511 5.123 ( -0.461 0.000 1.262) 1.343 5.173 ( 1.267 0.000 -4.241) 4.426 5.185 ( 0.522 0.000 -2.916) 2.962 5.272 ( 2.527 0.000 7.242) 7.670 5.298 ( -0.449 0.000 -0.209) 0.495 5.367 ( 2.253 0.000 0.497) 2.307 5.399 ( 3.419 0.000 1.812) 3.870 5.450 ( 4.434 0.000 2.300) 4.995 5.460 ( -0.979 0.000 -1.946) 2.178 5.515 ( 1.576 0.000 -2.511) 2.964 5.544 ( -4.668 0.000 -8.821) 9.980 5.668 ( 0.205 0.000 3.132) 3.139 5.689 ( 5.246 0.000 -2.059) 5.636 5.695 ( 4.008 0.000 2.177) 4.561 5.736 ( -3.750 0.000 3.129) 4.884 5.758 ( 0.095 0.000 -1.410) 1.414 5.791 ( -1.902 0.000 -0.564) 1.984 5.835 ( -2.716 0.000 2.794) 3.897 5.856 ( 0.873 0.000 -4.424) 4.509 5.895 ( -8.430 0.000 -2.296) 8.737 5.942 ( -4.186 0.000 0.657) 4.237 5.955 ( -0.296 0.000 -2.550) 2.567 6.026 ( 0.137 0.000 1.218) 1.226 6.041 ( 0.216 0.000 -2.977) 2.985 6.065 ( 0.003 0.000 -1.013) 1.013 6.089 ( -0.712 0.000 -8.053) 8.084 6.134 ( -0.509 0.000 0.053) 0.512 6.200 ( 0.324 0.000 4.671) 4.682 6.259 ( -2.414 0.000 -0.729) 2.522 6.266 ( 1.522 0.000 1.443) 2.097 6.297 ( 4.570 0.000 1.098) 4.700 6.312 ( -0.573 0.000 3.633) 3.678 6.330 ( -3.162 0.000 -5.516) 6.358 6.371 ( -4.863 0.000 -3.065) 5.748 6.419 ( -0.839 0.000 -4.744) 4.817 6.483 ( -1.284 0.000 3.073) 3.331 6.535 ( 2.331 0.000 1.030) 2.549 6.571 ( -0.485 0.000 1.740) 1.806 6.610 ( -2.640 0.000 -3.431) 4.329 6.633 ( 1.119 0.000 -4.123) 4.272 6.690 ( -2.510 0.000 -4.496) 5.149 6.722 ( -3.849 0.000 5.211) 6.479 6.733 ( -1.777 0.000 2.857) 3.364 6.780 ( -5.333 0.000 -2.006) 5.698 6.839 ( -0.758 0.000 2.167) 2.296 6.840 ( -1.672 0.000 1.527) 2.265 6.856 ( 0.692 0.000 -3.418) 3.487 6.912 ( 1.233 0.000 2.544) 2.827 6.966 ( -0.811 0.000 6.400) 6.451 6.972 ( -0.586 0.000 0.399) 0.709 7.004 ( 2.500 0.000 1.247) 2.794 7.025 ( 4.436 0.000 -0.042) 4.436 7.046 ( -1.488 0.000 -0.105) 1.492 7.073 ( -0.042 0.000 -0.476) 0.477 7.100 ( 0.779 0.000 -1.559) 1.743 7.140 ( -0.235 0.000 -3.812) 3.820 7.173 ( 1.235 0.000 -7.027) 7.135 7.242 ( -0.885 0.000 0.583) 1.059 7.245 ( 1.805 0.000 1.166) 2.149 7.298 ( 1.640 0.000 0.365) 1.681 7.304 ( 1.334 0.000 -1.252) 1.829 7.378 ( 4.687 0.000 -1.059) 4.805 7.394 ( 5.124 0.000 -2.403) 5.659 7.422 ( 3.989 0.000 -2.148) 4.530 7.427 ( 1.520 0.000 -0.862) 1.748 7.499 ( -4.338 0.000 1.045) 4.462 7.528 ( -2.854 0.000 -1.077) 3.051 7.591 ( 0.389 0.000 0.199) 0.437 7.621 ( 1.343 0.000 -2.014) 2.421 7.720 ( -1.602 0.000 0.767) 1.777 7.728 ( -1.976 0.000 0.274) 1.995 7.835 ( -1.374 0.000 0.997) 1.697 7.860 ( 0.620 0.000 -0.960) 1.142 7.914 ( 2.863 0.000 3.993) 4.914 7.954 ( 0.739 0.000 0.156) 0.755 8.058 ( 0.883 0.000 -0.711) 1.133 8.072 ( 0.977 0.000 -0.328) 1.031 8.136 ( -1.128 0.000 1.986) 2.284 8.164 ( -2.040 0.000 -0.133) 2.044 8.193 ( 5.022 0.000 -0.015) 5.022 8.221 ( 3.065 0.000 -2.060) 3.693 8.229 ( -3.693 0.000 3.492) 5.083 8.290 ( -3.586 0.000 -1.043) 3.735 8.399 ( -0.619 0.000 1.755) 1.861 8.429 ( -4.107 0.000 -0.940) 4.214 8.529 ( -5.359 0.000 0.329) 5.369 8.549 ( -0.144 0.000 -0.664) 0.679 8.665 ( -0.998 0.000 1.757) 2.021 8.678 ( -1.163 0.000 -1.182) 1.658 8.680 ( -3.786 0.000 0.588) 3.831 8.713 ( -1.811 0.000 -1.915) 2.636 8.745 ( -0.970 0.000 4.014) 4.129 8.826 ( -3.006 0.000 -2.655) 4.011 8.831 ( -2.922 0.000 1.006) 3.090 8.866 ( -0.952 0.000 -2.037) 2.248 8.944 ( -9.902 0.000 2.009) 10.104 8.985 ( -3.145 0.000 -3.422) 4.648 9.032 ( 2.175 0.000 1.346) 2.557 9.064 ( 1.749 0.000 -1.206) 2.125 9.171 ( -0.302 0.000 7.233) 7.239 9.347 ( -0.722 0.000 -7.845) 7.878 9.478 ( -0.387 0.000 1.386) 1.439 9.487 ( -0.522 0.000 0.553) 0.760 9.596 ( 1.270 0.000 0.807) 1.505 9.653 ( -4.181 0.000 -1.685) 4.507 9.704 ( -0.357 0.000 0.418) 0.549 9.729 ( 0.984 0.000 -2.079) 2.301 9.775 ( -1.064 0.000 0.937) 1.418 9.834 ( -0.759 0.000 -1.708) 1.869 9.884 ( 3.630 0.000 -0.959) 3.754 9.899 ( -0.469 0.000 -3.375) 3.407 9.975 ( -3.156 0.000 6.216) 6.971 10.122 ( -2.847 0.000 10.997) 11.359 10.124 ( -5.093 0.000 -7.661) 9.200 10.344 ( -5.447 0.000 -11.028) 12.300 10.510 ( 1.706 0.000 5.905) 6.147 10.539 ( 0.777 0.000 0.185) 0.798 10.550 ( 0.402 0.000 -0.662) 0.774 10.597 ( 0.592 0.000 -2.764) 2.827 10.856 ( -2.108 0.000 4.586) 5.047 10.904 ( -2.456 0.000 3.373) 4.173 10.927 ( -0.581 0.000 -1.603) 1.705 10.968 ( -3.795 0.000 -1.443) 4.060 11.916 ( 0.682 0.000 0.167) 0.702 11.926 ( 1.405 0.000 -0.629) 1.540 12.198 ( -5.186 0.000 -0.024) 5.186 12.204 ( -2.825 0.000 -0.856) 2.952 12.411 ( 3.638 0.000 1.732) 4.029 12.464 ( 2.201 0.000 -3.533) 4.162 12.508 ( 3.259 0.000 -0.385) 3.282 12.538 ( -0.225 0.000 -2.675) 2.684 12.751 ( 0.368 0.000 1.693) 1.732 12.797 ( -0.727 0.000 -2.970) 3.058 12.834 ( 3.510 0.000 3.075) 4.667 12.907 ( 3.486 0.000 -3.968) 5.281 13.090 ( 1.109 0.000 1.399) 1.786 13.111 ( 0.471 0.000 -0.326) 0.573 13.133 ( 0.879 0.000 -2.029) 2.211 13.133 ( 0.895 0.000 -2.885) 3.021 13.196 ( -4.925 0.000 4.749) 6.842 13.276 ( -2.384 0.000 -3.283) 4.057 13.351 ( 3.084 0.000 0.399) 3.109 13.373 ( 2.828 0.000 -1.269) 3.100 13.651 ( -9.221 0.000 3.278) 9.786 13.657 ( -8.729 0.000 3.038) 9.243 13.690 ( -7.502 0.000 5.881) 9.532 13.737 ( -7.078 0.000 1.114) 7.165 18.941 ( 1.403 0.000 1.667) 2.179 18.984 ( 1.651 0.000 -2.859) 3.301 19.041 ( 1.035 0.000 0.702) 1.251 19.071 ( 1.847 0.000 -2.348) 2.987 19.171 ( -2.670 0.000 2.068) 3.378 19.203 ( -2.004 0.000 -1.072) 2.273 19.253 ( -2.101 0.000 1.221) 2.430 19.279 ( -1.729 0.000 -1.285) 2.154 19.842 ( -0.742 0.000 1.950) 2.086 19.847 ( 1.661 0.000 0.317) 1.691 19.879 ( -0.772 0.000 9.795) 9.825 19.913 ( 2.050 0.000 0.768) 2.189 19.957 ( -2.008 0.000 1.927) 2.783 19.993 ( -2.329 0.000 9.655) 9.932 20.106 ( -2.317 0.000 -6.682) 7.072 20.216 ( -2.953 0.000 -12.536) 12.880 20.813 ( 0.693 0.000 2.707) 2.794 20.836 ( 0.262 0.000 0.626) 0.679 20.910 ( -1.797 0.000 3.640) 4.059 20.986 ( -0.565 0.000 4.592) 4.627 21.012 ( -1.413 0.000 -3.051) 3.362 21.110 ( -1.261 0.000 -3.395) 3.621 21.173 ( -2.892 0.000 8.682) 9.151 21.288 ( 0.495 0.000 -0.512) 0.712 21.321 ( 0.515 0.000 0.065) 0.519 21.359 ( -0.354 0.000 -1.615) 1.653 21.368 ( -0.281 0.000 -4.052) 4.062 21.398 ( -0.993 0.000 -6.641) 6.714 21.856 ( -7.563 0.000 3.225) 8.222 21.916 ( -5.581 0.000 3.123) 6.396 21.985 ( -6.865 0.000 2.557) 7.326 22.191 ( -9.094 0.000 -12.800) 15.702 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 9.028 0.000 19.580) 21.562 2.035 ( 0.894 0.000 -2.392) 2.553 2.059 ( -0.210 0.000 1.132) 1.152 2.088 ( -4.395 0.000 -0.343) 4.409 2.129 ( 4.181 0.000 6.169) 7.453 2.255 ( 6.611 0.000 -6.064) 8.971 2.313 ( -4.588 0.000 4.303) 6.290 2.370 ( 5.242 0.000 0.451) 5.261 2.433 ( 4.553 0.000 3.385) 5.673 2.530 ( 7.329 0.000 -3.273) 8.027 2.577 ( -5.623 0.000 4.159) 6.994 2.621 ( -0.168 0.000 -2.853) 2.858 2.896 ( 10.137 0.000 4.593) 11.128 2.919 ( 0.977 0.000 3.894) 4.015 2.973 ( 6.724 0.000 -2.098) 7.043 3.059 ( 2.378 0.000 -0.685) 2.475 3.083 ( -5.664 0.000 8.744) 10.418 3.211 ( -4.484 0.000 -4.598) 6.423 3.307 ( -0.046 0.000 -3.080) 3.080 3.352 ( -1.683 0.000 -5.139) 5.408 3.360 ( 1.484 0.000 0.712) 1.646 3.391 ( 3.316 0.000 -2.791) 4.334 3.459 ( 1.506 0.000 -2.427) 2.856 3.460 ( -3.739 0.000 3.832) 5.354 3.555 ( 2.621 0.000 5.359) 5.965 3.571 ( 2.033 0.000 -1.090) 2.307 3.632 ( -1.386 0.000 0.860) 1.631 3.685 ( 7.913 0.000 -3.995) 8.865 3.689 ( 4.743 0.000 2.430) 5.330 3.764 ( 3.569 0.000 11.032) 11.595 3.806 ( 2.813 0.000 -5.980) 6.609 3.866 ( 2.506 0.000 6.636) 7.094 3.891 ( 4.795 0.000 6.190) 7.830 3.921 ( -4.487 0.000 -1.525) 4.739 3.998 ( -4.526 0.000 8.956) 10.034 4.014 ( 3.952 0.000 -3.328) 5.167 4.050 ( -2.037 0.000 1.123) 2.326 4.073 ( 1.732 0.000 1.044) 2.023 4.109 ( 0.142 0.000 -0.104) 0.176 4.212 ( -7.178 0.000 -1.426) 7.318 4.221 ( -5.506 0.000 -2.360) 5.991 4.326 ( 1.435 0.000 -10.849) 10.944 4.421 ( -3.679 0.000 5.167) 6.344 4.476 ( -0.957 0.000 -1.600) 1.864 4.519 ( 0.485 0.000 -0.673) 0.830 4.539 ( -2.726 0.000 -4.367) 5.148 4.547 ( -2.977 0.000 -1.833) 3.496 4.553 ( -3.044 0.000 -3.552) 4.678 4.613 ( -2.140 0.000 3.420) 4.035 4.687 ( -0.681 0.000 -1.045) 1.247 4.714 ( 1.419 0.000 2.938) 3.263 4.731 ( 1.979 0.000 1.304) 2.370 4.734 ( 0.113 0.000 1.060) 1.066 4.765 ( 1.281 0.000 -1.579) 2.033 4.849 ( 3.494 0.000 0.541) 3.536 4.906 ( 6.024 0.000 -4.029) 7.247 4.929 ( -1.208 0.000 2.538) 2.811 4.962 ( -4.427 0.000 -1.015) 4.542 5.039 ( 1.167 0.000 4.982) 5.117 5.107 ( -0.723 0.000 -0.237) 0.761 5.180 ( 5.436 0.000 3.056) 6.237 5.192 ( 4.469 0.000 3.992) 5.992 5.230 ( 1.933 0.000 0.712) 2.060 5.310 ( 1.868 0.000 -1.271) 2.259 5.325 ( 9.125 0.000 2.008) 9.343 5.386 ( 0.958 0.000 -2.014) 2.230 5.423 ( 1.511 0.000 -0.205) 1.525 5.443 ( -0.229 0.000 -3.596) 3.603 5.458 ( 4.290 0.000 0.183) 4.294 5.480 ( 3.446 0.000 -0.116) 3.448 5.550 ( 0.970 0.000 2.094) 2.307 5.576 ( 5.781 0.000 1.377) 5.942 5.627 ( -1.086 0.000 1.983) 2.261 5.633 ( -2.672 0.000 1.161) 2.913 5.685 ( -2.799 0.000 2.963) 4.076 5.721 ( -0.497 0.000 2.382) 2.433 5.740 ( -1.365 0.000 -2.246) 2.628 5.784 ( -2.503 0.000 -0.768) 2.618 5.812 ( 0.789 0.000 -3.821) 3.902 5.820 ( -2.000 0.000 -1.400) 2.442 5.881 ( 2.757 0.000 7.790) 8.264 5.924 ( -1.936 0.000 -2.933) 3.514 5.930 ( 0.521 0.000 -1.193) 1.302 6.043 ( 1.567 0.000 0.149) 1.574 6.058 ( 0.935 0.000 -4.148) 4.252 6.079 ( 0.894 0.000 4.348) 4.439 6.093 ( -0.638 0.000 2.160) 2.252 6.098 ( 0.816 0.000 -4.395) 4.470 6.156 ( -7.282 0.000 -1.311) 7.399 6.189 ( -2.494 0.000 3.851) 4.588 6.228 ( -2.549 0.000 -4.331) 5.026 6.262 ( -4.095 0.000 -3.697) 5.517 6.336 ( 3.618 0.000 0.037) 3.618 6.340 ( -2.516 0.000 2.829) 3.786 6.355 ( 2.038 0.000 5.900) 6.242 6.436 ( 0.506 0.000 4.819) 4.845 6.514 ( -4.284 0.000 -4.156) 5.969 6.525 ( 8.050 0.000 2.174) 8.338 6.538 ( -1.893 0.000 0.589) 1.982 6.578 ( -7.663 0.000 -2.208) 7.975 6.586 ( 0.561 0.000 -2.153) 2.225 6.635 ( -4.805 0.000 -4.251) 6.415 6.673 ( -1.632 0.000 -3.117) 3.518 6.689 ( 4.385 0.000 -3.444) 5.576 6.730 ( -0.559 0.000 3.256) 3.304 6.807 ( -1.549 0.000 0.074) 1.551 6.857 ( 2.234 0.000 -0.414) 2.272 6.887 ( 1.877 0.000 -4.334) 4.723 6.913 ( 1.405 0.000 6.649) 6.796 6.943 ( -0.298 0.000 5.638) 5.646 6.952 ( -2.594 0.000 6.323) 6.835 7.029 ( 1.002 0.000 -0.108) 1.008 7.073 ( -2.609 0.000 -4.140) 4.894 7.094 ( 0.065 0.000 -3.869) 3.869 7.095 ( 3.648 0.000 1.900) 4.113 7.127 ( 3.719 0.000 -2.682) 4.585 7.142 ( 2.550 0.000 -2.390) 3.495 7.181 ( 3.963 0.000 -7.244) 8.257 7.213 ( -1.810 0.000 -0.483) 1.873 7.253 ( 0.530 0.000 -2.452) 2.509 7.346 ( 0.704 0.000 0.938) 1.173 7.351 ( 0.798 0.000 0.665) 1.039 7.430 ( -0.343 0.000 0.187) 0.390 7.434 ( -0.348 0.000 0.399) 0.530 7.480 ( 0.358 0.000 1.857) 1.891 7.505 ( 3.358 0.000 1.964) 3.890 7.513 ( 3.532 0.000 1.990) 4.054 7.531 ( 0.610 0.000 0.050) 0.612 7.595 ( 0.638 0.000 -1.977) 2.078 7.646 ( -0.831 0.000 -4.602) 4.676 7.720 ( 3.609 0.000 0.643) 3.666 7.723 ( 0.691 0.000 3.110) 3.186 7.786 ( -3.413 0.000 0.576) 3.461 7.801 ( -2.989 0.000 -1.135) 3.197 7.898 ( -7.090 0.000 1.007) 7.161 7.931 ( -2.047 0.000 -0.575) 2.126 8.009 ( -4.051 0.000 -0.514) 4.083 8.012 ( -4.068 0.000 -0.858) 4.157 8.077 ( -6.389 0.000 -1.032) 6.472 8.087 ( -1.345 0.000 -1.302) 1.872 8.132 ( -0.504 0.000 5.034) 5.059 8.220 ( 0.024 0.000 -2.925) 2.925 8.276 ( 0.867 0.000 1.270) 1.537 8.295 ( 1.908 0.000 -3.258) 3.776 8.401 ( -0.249 0.000 1.145) 1.172 8.433 ( 2.509 0.000 -1.369) 2.858 8.459 ( -1.096 0.000 1.039) 1.510 8.496 ( -7.021 0.000 -2.336) 7.400 8.618 ( -1.772 0.000 2.692) 3.223 8.642 ( -1.461 0.000 -2.433) 2.838 8.646 ( 1.904 0.000 -0.889) 2.101 8.679 ( -3.476 0.000 -1.274) 3.702 8.702 ( -4.470 0.000 -0.225) 4.476 8.736 ( -3.137 0.000 0.276) 3.149 8.768 ( -6.883 0.000 -5.546) 8.839 8.772 ( -2.951 0.000 -2.302) 3.743 8.841 ( 3.206 0.000 6.334) 7.099 8.991 ( 4.114 0.000 -8.588) 9.523 9.046 ( -3.863 0.000 6.169) 7.278 9.103 ( 3.429 0.000 0.999) 3.572 9.220 ( 5.289 0.000 -1.276) 5.441 9.311 ( -3.086 0.000 -8.958) 9.475 9.418 ( -5.396 0.000 -1.061) 5.500 9.453 ( -3.209 0.000 -2.842) 4.287 9.625 ( 2.892 0.000 2.876) 4.078 9.639 ( 2.634 0.000 0.880) 2.777 9.707 ( 0.029 0.000 1.916) 1.916 9.759 ( 0.657 0.000 -3.426) 3.489 9.765 ( 0.283 0.000 4.164) 4.173 9.853 ( -2.959 0.000 4.736) 5.584 9.857 ( 2.511 0.000 -4.729) 5.355 9.950 ( 1.549 0.000 -4.425) 4.688 9.976 ( 1.882 0.000 1.581) 2.458 10.048 ( -1.085 0.000 -5.164) 5.277 10.066 ( -2.356 0.000 6.487) 6.902 10.221 ( -5.928 0.000 -8.796) 10.607 10.527 ( 1.110 0.000 1.852) 2.159 10.558 ( 1.656 0.000 -1.596) 2.300 10.614 ( 4.435 0.000 2.582) 5.132 10.646 ( 3.768 0.000 -0.350) 3.785 10.728 ( -7.397 0.000 3.036) 7.995 10.774 ( -7.596 0.000 -1.408) 7.726 10.869 ( -5.513 0.000 1.342) 5.674 10.873 ( -4.705 0.000 0.561) 4.738 11.943 ( 1.843 0.000 1.155) 2.175 11.966 ( 2.367 0.000 -1.005) 2.571 12.084 ( -4.942 0.000 1.457) 5.153 12.116 ( -4.593 0.000 -1.694) 4.896 12.506 ( 4.332 0.000 3.681) 5.685 12.556 ( 4.918 0.000 0.239) 4.924 12.582 ( 2.590 0.000 -0.462) 2.631 12.592 ( 1.647 0.000 0.220) 1.662 12.801 ( 2.339 0.000 -0.011) 2.339 12.815 ( 7.319 0.000 -1.182) 7.414 12.923 ( 4.491 0.000 4.355) 6.256 12.992 ( 4.754 0.000 -2.080) 5.189 13.097 ( -3.092 0.000 3.913) 4.987 13.106 ( -0.963 0.000 4.609) 4.709 13.120 ( 0.338 0.000 -0.984) 1.040 13.151 ( 0.710 0.000 -0.629) 0.949 13.172 ( 2.462 0.000 -2.198) 3.300 13.230 ( -2.807 0.000 -5.366) 6.055 13.397 ( -4.243 0.000 4.834) 6.432 13.397 ( -0.517 0.000 1.606) 1.687 13.457 ( -5.172 0.000 -2.678) 5.825 13.468 ( -6.846 0.000 -0.934) 6.910 13.533 ( -6.090 0.000 4.258) 7.431 13.585 ( -6.544 0.000 -0.730) 6.584 18.976 ( 1.910 0.000 2.042) 2.796 19.027 ( 2.227 0.000 -3.115) 3.829 19.052 ( -0.505 0.000 1.830) 1.898 19.099 ( 0.188 0.000 -2.797) 2.804 19.132 ( -0.392 0.000 1.893) 1.933 19.175 ( -0.202 0.000 -2.356) 2.365 19.204 ( -2.412 0.000 1.449) 2.814 19.239 ( -1.959 0.000 -2.004) 2.803 19.831 ( -0.092 0.000 4.711) 4.712 19.862 ( -1.009 0.000 9.917) 9.968 19.896 ( 2.993 0.000 -2.334) 3.796 19.930 ( -0.448 0.000 2.836) 2.871 19.956 ( -1.292 0.000 8.759) 8.853 19.972 ( 3.425 0.000 -2.456) 4.215 20.047 ( -3.272 0.000 -6.475) 7.255 20.143 ( -3.900 0.000 -10.383) 11.092 20.845 ( 2.074 0.000 2.061) 2.924 20.852 ( 1.118 0.000 0.641) 1.289 20.888 ( -0.495 0.000 4.272) 4.300 20.960 ( -2.908 0.000 -3.305) 4.402 21.012 ( 2.936 0.000 0.968) 3.091 21.067 ( -2.303 0.000 -3.207) 3.948 21.092 ( -3.935 0.000 8.087) 8.994 21.258 ( -5.446 0.000 -7.044) 8.904 21.335 ( 0.718 0.000 0.200) 0.746 21.342 ( -0.768 0.000 -2.055) 2.194 21.352 ( -0.150 0.000 -0.925) 0.937 21.366 ( -0.364 0.000 -1.285) 1.335 21.768 ( -0.629 0.000 3.373) 3.431 21.818 ( -3.381 0.000 2.869) 4.435 21.854 ( -5.017 0.000 0.720) 5.068 21.984 ( -9.550 0.000 -7.713) 12.276 ======================= Grid point 58 (25/30) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -7.403 0.000 9.278) 11.869 1.959 ( 7.403 0.000 9.278) 11.869 2.040 ( -0.703 0.000 -0.175) 0.724 2.040 ( 0.703 0.000 -0.175) 0.724 2.222 ( -4.472 0.000 7.054) 8.352 2.222 ( 4.472 0.000 7.054) 8.352 2.380 ( -4.960 0.000 -6.704) 8.339 2.380 ( 4.960 0.000 -6.704) 8.339 2.495 ( -2.015 0.000 3.700) 4.213 2.495 ( 2.015 0.000 3.700) 4.213 2.619 ( -3.561 0.000 -6.902) 7.767 2.619 ( 3.561 0.000 -6.902) 7.767 2.958 ( -4.807 0.000 9.402) 10.559 2.958 ( 4.807 0.000 9.402) 10.559 3.053 ( -4.852 0.000 3.479) 5.970 3.053 ( 4.852 0.000 3.479) 5.970 3.183 ( -9.427 0.000 -3.896) 10.200 3.183 ( 9.427 0.000 -3.896) 10.200 3.226 ( -7.299 0.000 -6.321) 9.656 3.226 ( 7.299 0.000 -6.321) 9.656 3.400 ( -1.456 0.000 5.562) 5.749 3.400 ( 1.456 0.000 5.562) 5.749 3.473 ( -1.990 0.000 -3.609) 4.121 3.473 ( 1.990 0.000 -3.609) 4.121 3.606 ( -3.473 0.000 5.055) 6.133 3.606 ( 3.473 0.000 5.055) 6.133 3.706 ( -11.017 0.000 -4.284) 11.820 3.706 ( 11.017 0.000 -4.284) 11.820 3.777 ( -2.946 0.000 6.749) 7.364 3.777 ( 2.946 0.000 6.749) 7.364 3.875 ( -1.918 0.000 -4.502) 4.894 3.875 ( 1.919 0.000 -4.502) 4.894 3.905 ( -5.936 0.000 5.620) 8.175 3.905 ( 5.936 0.000 5.620) 8.175 3.944 ( -6.823 0.000 3.360) 7.605 3.944 ( 6.823 0.000 3.360) 7.605 4.097 ( -0.986 0.000 -1.712) 1.975 4.097 ( 0.986 0.000 -1.712) 1.975 4.116 ( -5.874 0.000 -3.912) 7.057 4.116 ( 5.874 0.000 -3.912) 7.057 4.273 ( -11.376 0.000 2.486) 11.645 4.273 ( 11.376 0.000 2.486) 11.645 4.373 ( -5.086 0.000 -1.693) 5.360 4.373 ( 5.086 0.000 -1.693) 5.360 4.496 ( -3.668 0.000 -2.050) 4.202 4.496 ( 3.668 0.000 -2.050) 4.202 4.522 ( -1.344 0.000 -2.315) 2.677 4.522 ( 1.344 0.000 -2.315) 2.677 4.638 ( -4.384 0.000 3.461) 5.585 4.638 ( 4.384 0.000 3.461) 5.585 4.736 ( -3.464 0.000 -3.093) 4.644 4.736 ( 3.464 0.000 -3.093) 4.644 4.807 ( -4.914 0.000 1.016) 5.018 4.807 ( 4.914 0.000 1.016) 5.018 4.827 ( -5.316 0.000 -0.801) 5.376 4.827 ( 5.316 0.000 -0.801) 5.376 5.029 ( -6.414 0.000 1.235) 6.532 5.029 ( 6.414 0.000 1.235) 6.532 5.053 ( -3.152 0.000 -0.475) 3.188 5.053 ( 3.152 0.000 -0.475) 3.188 5.244 ( -1.183 0.000 3.006) 3.230 5.244 ( 1.183 0.000 3.006) 3.230 5.295 ( -4.834 0.000 1.048) 4.947 5.295 ( 4.834 0.000 1.048) 4.947 5.362 ( -1.416 0.000 -0.445) 1.485 5.362 ( 1.416 0.000 -0.445) 1.485 5.392 ( -0.940 0.000 -3.152) 3.290 5.392 ( 0.940 0.000 -3.152) 3.290 5.562 ( -2.900 0.000 3.641) 4.655 5.562 ( 2.900 0.000 3.641) 4.655 5.625 ( -2.895 0.000 2.730) 3.979 5.625 ( 2.895 0.000 2.730) 3.979 5.676 ( -6.174 0.000 2.341) 6.603 5.676 ( 6.174 0.000 2.341) 6.603 5.717 ( -0.238 0.000 -1.007) 1.035 5.717 ( 0.238 0.000 -1.007) 1.035 5.739 ( -8.498 0.000 1.840) 8.695 5.739 ( 8.498 0.000 1.840) 8.695 5.761 ( -7.907 0.000 -1.476) 8.044 5.761 ( 7.907 0.000 -1.476) 8.044 5.927 ( -3.833 0.000 3.183) 4.982 5.927 ( 3.833 0.000 3.183) 4.982 5.932 ( -4.213 0.000 -1.866) 4.608 5.932 ( 4.213 0.000 -1.866) 4.608 6.079 ( -1.446 0.000 0.311) 1.479 6.079 ( 1.446 0.000 0.311) 1.479 6.105 ( -0.185 0.000 -0.900) 0.919 6.105 ( 0.185 0.000 -0.900) 0.919 6.145 ( -1.619 0.000 1.068) 1.940 6.145 ( 1.619 0.000 1.068) 1.940 6.177 ( -3.593 0.000 -0.731) 3.667 6.177 ( 3.593 0.000 -0.731) 3.667 6.354 ( -2.940 0.000 6.850) 7.454 6.354 ( 2.940 0.000 6.850) 7.454 6.408 ( -2.563 0.000 2.402) 3.513 6.408 ( 2.563 0.000 2.402) 3.513 6.500 ( -2.046 0.000 -4.135) 4.613 6.500 ( 2.046 0.000 -4.135) 4.613 6.511 ( -4.680 0.000 -6.134) 7.716 6.511 ( 4.680 0.000 -6.134) 7.716 6.657 ( -4.917 0.000 0.468) 4.940 6.657 ( 4.917 0.000 0.468) 4.940 6.657 ( -2.084 0.000 0.068) 2.085 6.657 ( 2.084 0.000 0.068) 2.085 6.791 ( -4.928 0.000 0.370) 4.941 6.791 ( 4.928 0.000 0.370) 4.941 6.821 ( -4.350 0.000 -2.057) 4.812 6.821 ( 4.350 0.000 -2.057) 4.812 6.960 ( -0.320 0.000 4.327) 4.339 6.960 ( 0.320 0.000 4.327) 4.339 7.033 ( -5.635 0.000 5.722) 8.031 7.033 ( 5.635 0.000 5.722) 8.031 7.075 ( -1.536 0.000 -4.822) 5.060 7.075 ( 1.536 0.000 -4.822) 5.060 7.146 ( -3.354 0.000 -3.052) 4.535 7.146 ( 3.354 0.000 -3.052) 4.535 7.212 ( -8.458 0.000 0.638) 8.482 7.212 ( 8.458 0.000 0.638) 8.482 7.289 ( -8.465 0.000 -6.292) 10.548 7.289 ( 8.465 0.000 -6.292) 10.548 7.326 ( -5.072 0.000 0.664) 5.115 7.326 ( 5.072 0.000 0.664) 5.115 7.341 ( -6.237 0.000 -0.045) 6.237 7.341 ( 6.237 0.000 -0.045) 6.237 7.531 ( -0.849 0.000 2.096) 2.261 7.531 ( 0.849 0.000 2.096) 2.261 7.531 ( -3.215 0.000 3.895) 5.050 7.531 ( 3.215 0.000 3.895) 5.050 7.633 ( -3.278 0.000 -0.362) 3.298 7.633 ( 3.278 0.000 -0.362) 3.298 7.673 ( -5.663 0.000 -2.374) 6.140 7.673 ( 5.663 0.000 -2.374) 6.140 7.834 ( -1.016 0.000 0.770) 1.275 7.834 ( 1.016 0.000 0.770) 1.275 7.872 ( -5.071 0.000 -3.269) 6.033 7.872 ( 5.071 0.000 -3.269) 6.033 7.972 ( -1.939 0.000 -0.937) 2.153 7.972 ( 1.939 0.000 -0.937) 2.153 7.996 ( -4.395 0.000 -3.732) 5.765 7.996 ( 4.395 0.000 -3.732) 5.765 8.192 ( -5.856 0.000 3.674) 6.913 8.192 ( 5.856 0.000 3.674) 6.913 8.276 ( -3.060 0.000 -4.099) 5.115 8.276 ( 3.060 0.000 -4.099) 5.115 8.401 ( -1.803 0.000 5.324) 5.621 8.401 ( 1.803 0.000 5.324) 5.621 8.469 ( -0.568 0.000 -0.582) 0.813 8.469 ( 0.568 0.000 -0.582) 0.813 8.614 ( -0.497 0.000 -1.415) 1.500 8.614 ( 0.497 0.000 -1.415) 1.500 8.615 ( -1.701 0.000 -1.053) 2.001 8.615 ( 1.701 0.000 -1.053) 2.001 8.701 ( -0.597 0.000 -2.794) 2.857 8.701 ( 0.597 0.000 -2.794) 2.857 8.723 ( -3.037 0.000 -4.091) 5.095 8.723 ( 3.037 0.000 -4.091) 5.095 8.942 ( -5.403 0.000 6.547) 8.489 8.942 ( 5.403 0.000 6.548) 8.489 9.096 ( -4.530 0.000 -7.567) 8.820 9.096 ( 4.530 0.000 -7.567) 8.820 9.307 ( -3.942 0.000 -0.740) 4.011 9.307 ( 3.942 0.000 -0.740) 4.011 9.350 ( -6.117 0.000 -3.466) 7.031 9.350 ( 6.117 0.000 -3.466) 7.031 9.689 ( -1.758 0.000 2.042) 2.695 9.689 ( 1.758 0.000 2.042) 2.695 9.711 ( -3.934 0.000 2.021) 4.422 9.711 ( 3.934 0.000 2.021) 4.422 9.801 ( -1.933 0.000 3.342) 3.861 9.801 ( 1.933 0.000 3.342) 3.861 9.920 ( -2.994 0.000 -6.272) 6.950 9.920 ( 2.994 0.000 -6.272) 6.950 10.020 ( -2.112 0.000 2.831) 3.532 10.020 ( 2.112 0.000 2.831) 3.532 10.104 ( -4.880 0.000 -5.615) 7.439 10.104 ( 4.880 0.000 -5.615) 7.439 10.584 ( -4.443 0.000 2.506) 5.101 10.584 ( 4.443 0.000 2.506) 5.101 10.628 ( -5.076 0.000 -1.746) 5.368 10.628 ( 5.076 0.000 -1.746) 5.368 10.741 ( -6.049 0.000 1.419) 6.213 10.741 ( 6.049 0.000 1.419) 6.213 10.755 ( -5.705 0.000 -0.159) 5.707 10.755 ( 5.705 0.000 -0.159) 5.707 11.997 ( -3.286 0.000 1.592) 3.651 11.997 ( 3.286 0.000 1.592) 3.651 12.028 ( -3.574 0.000 -1.462) 3.862 12.028 ( 3.574 0.000 -1.462) 3.862 12.576 ( -2.258 0.000 2.964) 3.726 12.576 ( 2.258 0.000 2.964) 3.726 12.610 ( -0.408 0.000 -0.245) 0.476 12.610 ( 0.408 0.000 -0.245) 0.476 12.911 ( -6.281 0.000 5.300) 8.219 12.911 ( 6.281 0.000 5.300) 8.219 13.004 ( -7.480 0.000 -3.014) 8.065 13.004 ( 7.480 0.000 -3.014) 8.065 13.082 ( -2.538 0.000 5.267) 5.846 13.082 ( 2.538 0.000 5.267) 5.846 13.145 ( -2.661 0.000 -0.695) 2.750 13.145 ( 2.661 0.000 -0.695) 2.750 13.220 ( -6.483 0.000 1.356) 6.624 13.220 ( 6.483 0.000 1.356) 6.624 13.258 ( -6.610 0.000 -2.086) 6.931 13.258 ( 6.610 0.000 -2.086) 6.931 13.457 ( -1.751 0.000 -0.006) 1.751 13.457 ( 1.751 0.000 -0.006) 1.751 13.480 ( -3.403 0.000 -1.705) 3.806 13.480 ( 3.403 0.000 -1.705) 3.807 19.019 ( -2.065 0.000 2.297) 3.089 19.019 ( 2.065 0.000 2.297) 3.089 19.074 ( -2.044 0.000 -3.158) 3.762 19.074 ( 2.044 0.000 -3.158) 3.762 19.156 ( -2.021 0.000 1.659) 2.615 19.156 ( 2.021 0.000 1.659) 2.615 19.198 ( -1.838 0.000 -2.562) 3.153 19.198 ( 1.838 0.000 -2.562) 3.153 19.840 ( -0.861 0.000 7.457) 7.506 19.840 ( 0.861 0.000 7.457) 7.506 19.935 ( -0.739 0.000 6.126) 6.170 19.935 ( 0.739 0.000 6.126) 6.170 19.969 ( -3.680 0.000 -4.776) 6.029 19.969 ( 3.680 0.000 -4.776) 6.029 20.056 ( -4.131 0.000 -6.585) 7.774 20.056 ( 4.131 0.000 -6.585) 7.774 20.876 ( -0.900 0.000 2.563) 2.717 20.876 ( 0.900 0.000 2.563) 2.717 20.897 ( -2.826 0.000 -0.107) 2.828 20.897 ( 2.826 0.000 -0.107) 2.828 21.040 ( -0.475 0.000 2.144) 2.196 21.040 ( 0.475 0.000 2.144) 2.196 21.114 ( -6.435 0.000 -4.727) 7.985 21.114 ( 6.435 0.000 -4.727) 7.985 21.348 ( -0.387 0.000 -0.074) 0.394 21.348 ( 0.387 0.000 -0.074) 0.394 21.353 ( -0.855 0.000 -0.498) 0.989 21.353 ( 0.855 0.000 -0.498) 0.989 21.788 ( -0.865 0.000 1.324) 1.582 21.788 ( 0.865 0.000 1.324) 1.582 21.820 ( -5.391 0.000 -1.767) 5.673 21.820 ( 5.391 0.000 -1.767) 5.673 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 15.810 26.595) 30.939 1.573 ( 0.000 20.097 24.330) 31.557 1.845 ( 0.000 -21.041 20.496) 29.374 1.894 ( 0.000 -8.229 10.281) 13.169 1.968 ( 0.000 5.520 -13.745) 14.812 2.000 ( 0.000 11.027 -15.896) 19.346 2.181 ( 0.000 -3.083 -9.764) 10.239 2.218 ( 0.000 -15.479 -15.829) 22.139 2.462 ( 0.000 13.527 29.827) 32.751 2.665 ( 0.000 -1.743 2.015) 2.664 2.686 ( 0.000 0.761 0.114) 0.770 2.695 ( 0.000 -0.012 5.568) 5.568 2.759 ( 0.000 4.195 3.050) 5.187 2.791 ( 0.000 8.910 3.905) 9.728 2.912 ( 0.000 -24.570 16.176) 29.417 2.962 ( 0.000 7.385 -2.175) 7.699 3.049 ( 0.000 -4.949 12.818) 13.740 3.072 ( 0.000 -0.864 -10.155) 10.191 3.077 ( 0.000 -9.333 -2.340) 9.622 3.140 ( 0.000 -12.654 3.559) 13.145 3.253 ( 0.000 0.509 4.981) 5.007 3.264 ( 0.000 -1.012 6.843) 6.917 3.448 ( 0.000 2.705 -2.372) 3.598 3.458 ( 0.000 5.190 -6.276) 8.144 3.505 ( 0.000 -3.419 -0.307) 3.432 3.549 ( 0.000 -5.187 -1.937) 5.537 3.583 ( 0.000 1.674 -1.494) 2.244 3.639 ( 0.000 -0.005 -1.015) 1.015 3.735 ( 0.000 3.371 5.250) 6.239 3.821 ( 0.000 -2.602 8.394) 8.789 3.842 ( 0.000 5.980 -4.144) 7.276 3.868 ( 0.000 0.197 4.860) 4.864 3.898 ( 0.000 -1.333 5.740) 5.893 3.924 ( 0.000 -1.792 -3.193) 3.662 3.962 ( 0.000 2.413 -0.615) 2.490 3.980 ( 0.000 3.401 -3.420) 4.823 4.018 ( 0.000 -1.763 -4.711) 5.030 4.035 ( 0.000 -1.919 -2.643) 3.266 4.056 ( 0.000 0.450 -4.697) 4.718 4.116 ( 0.000 -5.968 1.491) 6.152 4.190 ( 0.000 1.682 -0.799) 1.862 4.211 ( 0.000 0.913 -4.571) 4.661 4.279 ( 0.000 8.690 -4.514) 9.792 4.341 ( 0.000 3.161 2.568) 4.073 4.371 ( 0.000 -0.719 -3.962) 4.026 4.384 ( 0.000 2.063 1.775) 2.722 4.421 ( 0.000 12.850 1.360) 12.922 4.437 ( 0.000 4.843 3.957) 6.254 4.554 ( 0.000 -2.294 -0.383) 2.326 4.564 ( 0.000 -1.746 -5.284) 5.565 4.631 ( 0.000 -2.922 -4.634) 5.478 4.640 ( 0.000 -2.648 -5.359) 5.978 4.793 ( 0.000 6.669 2.446) 7.104 4.895 ( 0.000 3.071 -2.413) 3.905 4.905 ( 0.000 0.068 8.478) 8.478 4.955 ( 0.000 4.784 2.534) 5.413 5.015 ( 0.000 1.054 4.370) 4.495 5.024 ( 0.000 -1.143 2.258) 2.531 5.075 ( 0.000 3.085 -3.423) 4.608 5.076 ( 0.000 0.200 2.074) 2.084 5.083 ( 0.000 -11.137 -0.673) 11.157 5.116 ( 0.000 0.466 -3.121) 3.156 5.125 ( 0.000 -0.002 -3.252) 3.252 5.143 ( 0.000 -2.454 3.405) 4.197 5.245 ( 0.000 0.330 4.777) 4.789 5.266 ( 0.000 -4.254 -1.042) 4.380 5.307 ( 0.000 -3.690 0.311) 3.703 5.333 ( 0.000 -6.208 -1.900) 6.492 5.395 ( 0.000 -0.848 8.586) 8.627 5.415 ( 0.000 1.146 6.571) 6.670 5.536 ( 0.000 1.561 1.751) 2.346 5.543 ( 0.000 2.048 2.896) 3.547 5.623 ( 0.000 4.585 -9.608) 10.646 5.655 ( 0.000 0.742 -9.116) 9.146 5.686 ( 0.000 -2.921 -8.670) 9.149 5.700 ( 0.000 -2.705 -6.050) 6.627 5.824 ( 0.000 -0.229 -1.012) 1.038 5.849 ( 0.000 -2.780 -1.224) 3.038 5.898 ( 0.000 -0.342 -2.865) 2.885 5.918 ( 0.000 -2.742 -10.022) 10.390 5.997 ( 0.000 6.460 0.249) 6.464 6.023 ( 0.000 6.967 -1.921) 7.227 6.030 ( 0.000 1.421 -1.513) 2.076 6.055 ( 0.000 0.702 -3.008) 3.088 6.079 ( 0.000 1.946 3.416) 3.931 6.135 ( 0.000 3.249 0.095) 3.250 6.153 ( 0.000 -1.460 3.670) 3.950 6.207 ( 0.000 -1.581 2.360) 2.841 6.209 ( 0.000 3.804 -2.459) 4.530 6.266 ( 0.000 2.729 2.374) 3.617 6.287 ( 0.000 2.943 -6.337) 6.987 6.310 ( 0.000 -5.322 -1.601) 5.558 6.311 ( 0.000 -3.770 6.086) 7.159 6.377 ( 0.000 -9.052 -1.757) 9.221 6.430 ( 0.000 -3.653 -2.117) 4.222 6.435 ( 0.000 -5.800 -4.578) 7.389 6.546 ( 0.000 1.444 0.122) 1.449 6.555 ( 0.000 3.138 -1.240) 3.375 6.564 ( 0.000 0.375 1.691) 1.732 6.569 ( 0.000 -0.353 3.385) 3.403 6.600 ( 0.000 -0.103 1.971) 1.973 6.626 ( 0.000 -1.396 -2.639) 2.986 6.636 ( 0.000 -0.870 -1.009) 1.333 6.663 ( 0.000 -3.589 -1.623) 3.939 6.837 ( 0.000 3.453 5.089) 6.150 6.871 ( 0.000 -0.488 8.083) 8.097 6.898 ( 0.000 0.966 6.395) 6.468 6.919 ( 0.000 -0.828 7.317) 7.364 6.947 ( 0.000 -1.258 2.557) 2.850 6.965 ( 0.000 -1.783 2.278) 2.893 6.979 ( 0.000 -0.089 -1.361) 1.363 6.997 ( 0.000 1.669 -3.823) 4.171 7.013 ( 0.000 -0.118 -4.240) 4.241 7.014 ( 0.000 1.807 -4.544) 4.890 7.028 ( 0.000 3.830 -1.355) 4.063 7.124 ( 0.000 -4.557 -1.623) 4.837 7.146 ( 0.000 3.441 -9.475) 10.080 7.156 ( 0.000 0.546 0.980) 1.122 7.168 ( 0.000 -0.248 -5.076) 5.082 7.177 ( 0.000 0.030 -5.473) 5.473 7.236 ( 0.000 0.719 0.299) 0.778 7.274 ( 0.000 -3.261 -4.651) 5.681 7.308 ( 0.000 2.459 -4.289) 4.944 7.341 ( 0.000 -0.658 -7.601) 7.630 7.502 ( 0.000 1.680 1.887) 2.526 7.522 ( 0.000 -0.316 5.197) 5.206 7.565 ( 0.000 4.848 -4.183) 6.403 7.637 ( 0.000 -0.975 -5.920) 6.000 7.714 ( 0.000 0.190 1.742) 1.752 7.742 ( 0.000 -1.229 1.266) 1.764 7.745 ( 0.000 0.841 -1.213) 1.476 7.760 ( 0.000 1.718 -0.696) 1.853 7.816 ( 0.000 -3.393 5.123) 6.144 7.832 ( 0.000 -1.344 2.542) 2.876 7.872 ( 0.000 2.829 1.225) 3.083 7.883 ( 0.000 -2.085 3.021) 3.670 7.895 ( 0.000 -1.703 -0.205) 1.715 7.927 ( 0.000 -0.348 -1.957) 1.988 7.968 ( 0.000 0.782 -5.627) 5.681 7.987 ( 0.000 -1.557 -3.792) 4.099 8.123 ( 0.000 3.051 5.092) 5.936 8.194 ( 0.000 3.782 -2.268) 4.409 8.213 ( 0.000 -6.214 4.216) 7.509 8.287 ( 0.000 -6.057 -3.064) 6.788 8.432 ( 0.000 6.385 7.397) 9.772 8.541 ( 0.000 3.371 -3.110) 4.586 8.547 ( 0.000 -4.697 4.266) 6.345 8.609 ( 0.000 -2.352 -1.546) 2.815 8.747 ( 0.000 4.358 6.552) 7.869 8.772 ( 0.000 2.953 2.308) 3.748 8.787 ( 0.000 7.351 0.791) 7.394 8.840 ( 0.000 1.353 -2.433) 2.784 8.904 ( 0.000 0.418 2.848) 2.878 8.931 ( 0.000 -2.965 0.709) 3.048 8.942 ( 0.000 0.059 -0.262) 0.269 8.964 ( 0.000 1.933 -2.643) 3.275 9.009 ( 0.000 -1.864 0.408) 1.908 9.015 ( 0.000 -7.324 4.695) 8.699 9.031 ( 0.000 -2.625 -1.515) 3.030 9.066 ( 0.000 -2.694 -0.951) 2.857 9.203 ( 0.000 2.759 2.775) 3.913 9.235 ( 0.000 6.764 -0.756) 6.806 9.393 ( 0.000 -9.125 1.215) 9.206 9.411 ( 0.000 -7.595 -0.924) 7.651 9.590 ( 0.000 3.416 5.214) 6.233 9.671 ( 0.000 2.483 -2.431) 3.475 9.678 ( 0.000 -5.574 3.541) 6.604 9.729 ( 0.000 -4.129 -1.461) 4.379 9.867 ( 0.000 5.414 7.001) 8.850 9.913 ( 0.000 -1.474 6.392) 6.560 9.950 ( 0.000 3.732 2.729) 4.624 9.975 ( 0.000 0.365 1.013) 1.076 10.190 ( 0.000 0.064 4.933) 4.933 10.203 ( 0.000 -0.014 14.722) 14.722 10.364 ( 0.000 6.320 -4.719) 7.887 10.458 ( 0.000 -3.394 0.449) 3.424 10.524 ( 0.000 0.646 -7.228) 7.257 10.532 ( 0.000 -0.023 -0.446) 0.446 10.586 ( 0.000 3.600 -10.618) 11.212 10.626 ( 0.000 -0.347 -7.309) 7.317 10.742 ( 0.000 0.026 1.450) 1.451 10.760 ( 0.000 -1.996 2.164) 2.944 10.799 ( 0.000 0.921 -4.416) 4.511 10.816 ( 0.000 -0.304 -4.027) 4.038 11.984 ( 0.000 6.475 -0.560) 6.499 11.999 ( 0.000 7.848 -2.235) 8.160 12.126 ( 0.000 -7.867 -0.273) 7.872 12.165 ( 0.000 -8.607 -4.237) 9.593 12.483 ( 0.000 6.116 1.430) 6.281 12.555 ( 0.000 5.607 -5.585) 7.914 12.610 ( 0.000 -6.766 2.185) 7.110 12.664 ( 0.000 -5.750 -2.925) 6.451 12.748 ( 0.000 3.159 3.224) 4.514 12.795 ( 0.000 -1.201 0.212) 1.219 12.817 ( 0.000 1.877 -4.281) 4.675 12.842 ( 0.000 -0.349 -5.287) 5.299 13.026 ( 0.000 0.928 0.013) 0.928 13.051 ( 0.000 1.040 -2.413) 2.628 13.056 ( 0.000 -2.342 0.473) 2.389 13.083 ( 0.000 -2.132 -2.125) 3.010 13.308 ( 0.000 3.454 1.995) 3.989 13.339 ( 0.000 3.729 -1.019) 3.866 13.359 ( 0.000 -1.719 2.545) 3.071 13.391 ( 0.000 -1.758 -0.526) 1.835 13.859 ( 0.000 -0.111 6.085) 6.086 13.862 ( 0.000 -0.405 4.916) 4.932 13.885 ( 0.000 0.597 2.676) 2.742 13.898 ( 0.000 -0.681 2.319) 2.417 18.930 ( 0.000 1.976 1.099) 2.261 18.965 ( 0.000 1.223 -2.563) 2.840 18.978 ( 0.000 -2.890 0.216) 2.899 18.997 ( 0.000 -1.945 -1.680) 2.570 19.273 ( 0.000 1.393 1.549) 2.083 19.289 ( 0.000 1.459 0.297) 1.489 19.294 ( 0.000 -0.734 1.135) 1.352 19.312 ( 0.000 -0.845 -0.469) 0.966 19.827 ( 0.000 1.331 4.936) 5.113 19.861 ( 0.000 -1.906 6.317) 6.598 19.885 ( 0.000 1.062 -0.165) 1.075 19.897 ( 0.000 -0.219 3.803) 3.809 20.062 ( 0.000 0.414 4.702) 4.720 20.074 ( 0.000 -0.836 4.054) 4.139 20.203 ( 0.000 3.368 -8.581) 9.218 20.260 ( 0.000 -2.319 -11.735) 11.962 20.868 ( 0.000 1.358 5.376) 5.545 20.894 ( 0.000 -1.139 5.155) 5.279 20.954 ( 0.000 1.091 -3.199) 3.380 20.981 ( 0.000 -1.595 -3.222) 3.595 21.100 ( 0.000 2.152 2.364) 3.197 21.148 ( 0.000 4.551 -2.724) 5.304 21.154 ( 0.000 -2.984 3.795) 4.827 21.230 ( 0.000 -3.282 -3.694) 4.941 21.280 ( 0.000 0.754 1.292) 1.496 21.301 ( 0.000 -1.321 1.993) 2.391 21.331 ( 0.000 0.847 -3.738) 3.833 21.362 ( 0.000 -2.537 -3.947) 4.692 22.095 ( 0.000 -0.981 8.206) 8.265 22.097 ( 0.000 -0.639 11.022) 11.041 22.257 ( 0.000 4.671 -8.769) 9.935 22.322 ( 0.000 -2.243 -11.723) 11.936 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 3.181 12.556 24.216) 27.463 1.692 ( 7.902 13.390 19.127) 24.649 1.831 ( 0.755 -17.711 15.488) 23.540 1.927 ( 2.043 -0.634 -3.380) 4.001 1.987 ( 4.348 -0.990 0.335) 4.472 2.113 ( 7.280 8.972 -13.655) 17.887 2.163 ( 0.875 -7.472 -7.765) 10.812 2.274 ( 2.587 -7.867 -9.392) 12.522 2.474 ( 0.482 12.778 23.089) 26.393 2.631 ( -3.605 -0.867 7.657) 8.508 2.640 ( -0.582 1.178 0.141) 1.321 2.675 ( -2.270 1.082 0.871) 2.661 2.787 ( 2.644 1.499 1.629) 3.448 2.861 ( 5.722 13.863 5.171) 15.864 2.930 ( -2.265 2.339 0.982) 3.401 2.953 ( 1.919 -17.891 12.143) 21.708 3.043 ( -0.909 -2.619 -0.533) 2.823 3.099 ( -0.310 -3.453 3.445) 4.888 3.125 ( 3.252 -7.659 -2.651) 8.733 3.157 ( 5.968 -7.687 2.370) 10.016 3.270 ( 2.133 0.441 4.033) 4.583 3.335 ( 4.408 -4.016 4.482) 7.460 3.430 ( -0.654 3.299 -9.990) 10.541 3.461 ( 0.195 2.665 2.099) 3.398 3.486 ( -1.238 -0.347 5.127) 5.286 3.522 ( 0.445 -2.481 -3.594) 4.389 3.625 ( 1.726 -4.647 -3.987) 6.362 3.640 ( -0.086 -5.248 -2.280) 5.723 3.707 ( -2.974 3.359 4.870) 6.622 3.751 ( -4.043 5.900 1.009) 7.223 3.801 ( -2.924 -0.342 6.458) 7.098 3.827 ( -1.012 0.786 3.118) 3.371 3.883 ( -1.226 1.762 0.543) 2.214 3.943 ( -2.158 0.160 -2.062) 2.989 3.968 ( 3.504 2.136 -0.445) 4.128 3.971 ( -0.939 0.484 -4.774) 4.890 4.005 ( 2.189 -4.845 -0.195) 5.321 4.072 ( 1.921 -5.186 -3.183) 6.381 4.101 ( 4.470 2.425 -6.589) 8.323 4.176 ( 1.416 -2.559 -8.921) 9.388 4.233 ( 1.224 5.816 5.540) 8.125 4.275 ( 7.008 1.948 7.418) 10.389 4.296 ( 3.321 2.324 2.022) 4.529 4.369 ( 1.193 -1.974 -3.471) 4.168 4.430 ( 1.777 4.705 -1.096) 5.147 4.457 ( 3.976 4.720 -0.995) 6.251 4.475 ( 4.776 3.887 0.066) 6.158 4.496 ( 5.244 2.269 1.305) 5.861 4.558 ( 1.646 -1.784 -0.017) 2.427 4.600 ( 0.873 -3.207 -0.438) 3.353 4.668 ( 3.437 -0.761 -4.391) 5.628 4.684 ( 4.044 -0.881 -3.648) 5.517 4.834 ( 1.867 6.190 0.803) 6.515 4.870 ( -1.258 4.716 4.556) 6.677 4.921 ( -1.770 3.878 3.430) 5.472 4.945 ( 1.038 3.297 -2.172) 4.083 4.957 ( -3.432 -0.523 2.576) 4.323 5.020 ( -1.636 1.061 -2.978) 3.559 5.048 ( -1.582 0.160 -1.157) 1.966 5.064 ( -0.619 -1.825 0.306) 1.951 5.088 ( -0.858 -1.076 2.478) 2.835 5.126 ( -0.635 -2.825 -2.200) 3.636 5.137 ( 1.654 -1.040 1.842) 2.685 5.173 ( 1.440 -2.388 0.850) 2.915 5.218 ( -2.069 -0.235 2.720) 3.425 5.271 ( 1.295 -6.586 4.801) 8.252 5.305 ( 0.074 -1.981 0.539) 2.055 5.336 ( 1.645 -4.373 -2.698) 5.395 5.349 ( -0.548 0.478 7.778) 7.812 5.412 ( 1.362 -2.253 3.180) 4.128 5.532 ( -0.087 0.776 -3.883) 3.960 5.572 ( -2.035 -1.506 -7.018) 7.461 5.616 ( 2.147 3.081 -2.664) 4.604 5.669 ( 1.381 5.008 -8.341) 9.826 5.681 ( 0.390 -2.827 -5.560) 6.250 5.745 ( 1.950 -1.736 -4.766) 5.434 5.774 ( -1.746 3.481 2.059) 4.405 5.853 ( 0.614 -3.666 1.666) 4.073 5.890 ( -1.919 1.028 -5.746) 6.144 5.911 ( -1.383 2.265 0.368) 2.679 5.987 ( -1.388 0.161 -0.860) 1.641 6.015 ( -4.149 -0.646 3.603) 5.533 6.019 ( -0.355 3.398 -4.086) 5.326 6.041 ( -1.300 0.370 1.754) 2.215 6.081 ( -0.866 4.068 -0.130) 4.161 6.098 ( -0.400 1.285 -2.558) 2.891 6.147 ( -1.979 1.352 1.526) 2.841 6.161 ( -4.089 0.162 -1.557) 4.378 6.175 ( -1.358 -0.599 -2.038) 2.521 6.237 ( -2.087 -2.252 3.728) 4.830 6.241 ( -2.186 3.193 -1.700) 4.227 6.289 ( -0.610 -0.219 -2.971) 3.041 6.326 ( 2.306 -2.959 -0.530) 3.789 6.365 ( -3.907 -1.487 -1.989) 4.630 6.382 ( 0.547 -4.953 -1.904) 5.335 6.442 ( 0.916 -4.639 -2.916) 5.556 6.508 ( -0.880 0.900 -0.881) 1.536 6.542 ( 0.151 3.862 -3.064) 4.933 6.560 ( 0.374 -2.386 -0.078) 2.416 6.600 ( -0.367 -1.893 -2.113) 2.861 6.645 ( 0.056 0.575 2.880) 2.938 6.673 ( 2.821 -2.436 0.370) 3.746 6.704 ( 2.738 -1.361 -2.196) 3.764 6.708 ( 3.559 -2.312 -0.210) 4.249 6.837 ( 0.117 3.232 6.161) 6.958 6.859 ( -1.136 2.201 6.150) 6.630 6.875 ( -1.233 0.073 5.650) 5.784 6.903 ( -1.222 0.013 4.049) 4.229 6.931 ( -0.767 1.576 -1.352) 2.213 6.940 ( -1.053 -0.061 4.347) 4.473 6.953 ( -1.383 -2.572 3.776) 4.773 6.973 ( -2.528 -0.923 -2.525) 3.691 7.014 ( -1.065 0.813 -1.617) 2.100 7.053 ( 2.077 -0.880 -0.482) 2.307 7.060 ( 2.138 2.222 -2.045) 3.700 7.089 ( -1.580 -0.797 -5.200) 5.493 7.123 ( -1.698 0.845 -4.886) 5.241 7.158 ( -0.260 -1.775 -1.661) 2.445 7.204 ( 1.696 1.269 -7.938) 8.215 7.224 ( 2.043 -0.814 -5.987) 6.378 7.253 ( 2.397 1.175 4.586) 5.306 7.281 ( 2.521 -1.444 0.690) 2.986 7.338 ( 2.104 2.089 -3.772) 4.798 7.367 ( 2.016 -0.661 -5.595) 5.984 7.432 ( -3.191 5.080 2.260) 6.410 7.499 ( -0.039 0.776 -0.169) 0.796 7.518 ( -3.500 0.082 -3.074) 4.659 7.587 ( -2.355 -1.965 -5.115) 5.964 7.652 ( -3.539 1.104 2.507) 4.475 7.676 ( -4.737 0.997 0.635) 4.882 7.708 ( -2.473 -3.359 0.544) 4.206 7.733 ( -3.728 -1.964 -0.696) 4.271 7.848 ( -0.446 0.959 2.154) 2.400 7.866 ( 4.053 0.860 1.819) 4.525 7.886 ( 2.436 -0.092 0.348) 2.462 7.890 ( -0.347 1.096 -0.214) 1.169 7.975 ( 5.856 0.484 0.348) 5.886 8.003 ( 4.682 -1.204 0.283) 4.842 8.036 ( 5.277 -1.609 -2.093) 5.901 8.040 ( 3.037 -1.935 -3.285) 4.874 8.176 ( 3.323 1.797 2.751) 4.673 8.214 ( 2.488 2.930 -0.946) 3.958 8.239 ( 0.536 -5.047 2.300) 5.572 8.272 ( -0.678 -2.982 -0.691) 3.135 8.425 ( 0.103 3.070 5.675) 6.453 8.503 ( -2.919 -1.872 1.372) 3.730 8.546 ( -1.134 -2.560 -0.844) 2.925 8.573 ( -2.233 -2.879 -0.938) 3.762 8.707 ( -4.118 4.331 3.106) 6.735 8.730 ( -4.245 5.008 0.060) 6.565 8.782 ( -0.344 2.043 5.435) 5.817 8.809 ( -5.872 -1.475 1.120) 6.157 8.829 ( -4.449 -1.909 -0.629) 4.882 8.835 ( -2.728 -0.180 2.633) 3.795 8.879 ( -2.382 0.407 -0.815) 2.550 8.932 ( -4.144 -2.310 -2.269) 5.259 9.006 ( 0.932 4.199 0.727) 4.362 9.036 ( 3.033 4.021 -1.868) 5.372 9.125 ( 0.368 -6.722 3.979) 7.820 9.151 ( 4.422 4.502 2.424) 6.760 9.205 ( 1.438 3.152 0.015) 3.464 9.261 ( 1.663 7.049 -3.505) 8.046 9.428 ( 2.885 -9.789 1.591) 10.329 9.459 ( 3.857 -7.288 -1.594) 8.398 9.575 ( -1.447 3.700 4.253) 5.820 9.651 ( -2.226 -3.406 -0.078) 4.069 9.669 ( -0.542 -1.318 -0.692) 1.584 9.693 ( -2.957 -3.457 -0.689) 4.601 9.831 ( -1.333 2.750 3.126) 4.372 9.878 ( -3.202 -1.419 4.041) 5.348 9.893 ( -3.963 3.565 -0.257) 5.337 9.937 ( -2.848 -0.561 -1.321) 3.189 10.126 ( -4.927 2.823 6.468) 8.607 10.162 ( -2.967 -0.927 12.290) 12.677 10.318 ( -4.803 6.464 -9.728) 12.629 10.417 ( -4.655 -3.404 -10.472) 11.954 10.485 ( -0.053 0.909 4.718) 4.805 10.508 ( 0.422 -1.149 3.349) 3.566 10.575 ( -0.698 1.160 -3.716) 3.955 10.599 ( -1.119 -1.124 -3.832) 4.148 10.819 ( 4.770 1.337 2.782) 5.682 10.847 ( 4.052 -1.151 2.166) 4.737 10.893 ( 5.444 0.864 -3.887) 6.745 10.927 ( 5.975 -2.135 -4.914) 8.025 11.980 ( -0.207 6.550 -0.251) 6.558 11.998 ( -0.123 8.130 -2.033) 8.381 12.127 ( 0.016 -8.073 0.036) 8.073 12.164 ( -0.357 -8.334 -3.505) 9.048 12.443 ( -2.207 4.258 1.440) 5.008 12.513 ( -3.004 3.978 -5.093) 7.127 12.523 ( -5.393 -3.572 2.354) 6.884 12.596 ( -5.330 -3.890 -3.876) 7.653 12.760 ( 0.500 1.566 2.439) 2.941 12.778 ( 0.492 0.140 1.357) 1.450 12.826 ( -0.324 0.867 -4.509) 4.603 12.840 ( 1.447 -0.328 -4.418) 4.661 13.073 ( 1.977 1.401 0.113) 2.426 13.093 ( 3.724 0.245 -2.039) 4.253 13.100 ( 1.489 -0.547 -0.816) 1.784 13.110 ( 2.229 -1.181 -2.001) 3.220 13.290 ( -0.636 0.610 1.945) 2.135 13.303 ( -3.743 -0.535 3.168) 4.933 13.326 ( -0.937 1.716 -1.254) 2.323 13.353 ( -2.681 -1.053 -1.494) 3.245 13.804 ( -5.188 -0.014 5.129) 7.295 13.809 ( -4.624 -0.437 6.029) 7.611 13.830 ( -4.973 0.985 2.656) 5.724 13.850 ( -4.400 -0.981 2.159) 4.999 18.938 ( 0.762 2.039 1.167) 2.470 18.971 ( 0.729 1.007 -2.003) 2.358 18.989 ( 0.882 -2.500 -0.148) 2.656 19.008 ( 1.065 -2.140 -1.813) 3.000 19.251 ( -1.927 1.809 1.483) 3.031 19.268 ( -1.702 1.687 0.032) 2.397 19.279 ( -1.375 -0.950 1.069) 1.984 19.298 ( -1.235 -1.153 -0.633) 1.804 19.831 ( 0.364 1.093 4.355) 4.505 19.861 ( -0.048 -1.702 6.093) 6.326 19.877 ( -0.471 1.114 0.331) 1.254 19.894 ( -0.126 -0.471 2.938) 2.978 20.022 ( -3.114 0.759 5.503) 6.369 20.039 ( -2.709 -0.951 6.322) 6.943 20.183 ( -1.613 3.278 -8.832) 9.558 20.241 ( -1.660 -2.449 -11.956) 12.317 20.843 ( -2.386 1.234 3.735) 4.601 20.855 ( -0.835 0.733 4.094) 4.242 20.926 ( -3.031 -1.285 -0.787) 3.385 20.954 ( -0.534 -3.387 -2.209) 4.079 21.093 ( -1.221 4.458 5.486) 7.173 21.164 ( 0.591 -1.681 4.896) 5.210 21.189 ( 1.859 4.527 -2.519) 5.503 21.282 ( 0.506 -0.466 -1.394) 1.554 21.300 ( 3.533 -3.333 -3.250) 5.844 21.306 ( 0.466 -0.961 1.589) 1.915 21.352 ( 1.495 0.217 -4.329) 4.585 21.365 ( 0.110 -1.316 -3.703) 3.932 22.022 ( -6.049 0.672 6.962) 9.247 22.047 ( -4.829 -1.301 9.951) 11.137 22.179 ( -6.351 5.546 -8.439) 11.930 22.281 ( -4.365 -4.559 -12.715) 14.195 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 6.761 5.830 19.560) 21.501 1.805 ( 3.292 -11.180 10.691) 15.816 1.910 ( 4.452 -2.991 -4.507) 7.006 1.967 ( 0.314 -6.437 -1.746) 6.677 2.164 ( 12.354 9.210 -0.278) 15.412 2.245 ( 4.524 3.314 -3.596) 6.662 2.262 ( 7.381 -0.430 5.771) 9.379 2.323 ( 3.577 -3.760 -0.690) 5.235 2.486 ( 0.995 12.235 10.367) 16.068 2.550 ( -2.917 3.577 3.236) 5.637 2.635 ( -1.136 -0.499 -0.895) 1.530 2.665 ( 1.253 1.775 -0.928) 2.363 2.844 ( 2.884 5.372 8.339) 10.330 2.885 ( -1.295 1.256 2.543) 3.118 2.941 ( 1.722 9.988 1.988) 10.329 2.989 ( 1.529 -9.964 8.152) 12.964 3.042 ( 1.418 -8.594 2.628) 9.098 3.148 ( 2.709 -6.753 -1.615) 7.454 3.167 ( 1.666 -2.617 -3.837) 4.934 3.242 ( 1.600 -6.909 -3.833) 8.062 3.344 ( 1.077 4.785 -3.560) 6.061 3.398 ( 3.884 0.363 -3.144) 5.010 3.459 ( -0.188 0.819 3.104) 3.216 3.470 ( 2.236 0.248 4.224) 4.785 3.501 ( 3.722 -1.415 2.485) 4.693 3.546 ( 0.000 1.134 3.242) 3.434 3.611 ( -0.637 -8.228 -3.947) 9.148 3.651 ( 1.454 -2.074 1.141) 2.778 3.683 ( -0.129 4.378 0.146) 4.382 3.715 ( -0.309 4.556 0.828) 4.641 3.749 ( -1.426 -2.616 2.215) 3.712 3.838 ( 1.045 2.785 1.753) 3.453 3.884 ( 1.583 -1.554 -1.272) 2.557 3.893 ( 0.600 3.389 -1.531) 3.767 4.002 ( 4.176 2.896 -1.305) 5.247 4.032 ( 0.718 3.580 -0.935) 3.769 4.081 ( 3.228 -1.911 -0.145) 3.754 4.117 ( -0.495 -1.389 2.454) 2.863 4.132 ( -0.262 1.596 -3.863) 4.188 4.218 ( 3.221 -5.999 -2.657) 7.309 4.245 ( 1.272 -0.113 4.649) 4.821 4.345 ( -0.534 -4.091 -0.793) 4.202 4.387 ( -1.562 2.645 -1.466) 3.403 4.401 ( 2.470 -0.067 -1.200) 2.747 4.436 ( 2.896 -0.229 0.988) 3.068 4.498 ( 0.391 -4.786 8.309) 9.597 4.546 ( 2.578 -1.027 3.141) 4.191 4.570 ( 0.888 -1.033 0.785) 1.572 4.635 ( 2.943 2.542 1.350) 4.117 4.656 ( 3.318 1.155 -1.381) 3.775 4.705 ( -0.969 0.656 -3.124) 3.336 4.740 ( -0.809 -1.739 -1.885) 2.689 4.799 ( -1.346 5.604 1.532) 5.964 4.849 ( -1.883 4.877 -1.358) 5.401 4.859 ( -1.597 5.208 2.058) 5.823 4.901 ( -1.363 5.360 1.245) 5.670 4.940 ( -5.096 0.463 -5.517) 7.525 4.954 ( 0.576 -4.953 -3.004) 5.821 5.034 ( -2.427 -3.233 0.476) 4.070 5.062 ( -0.055 -0.725 -3.280) 3.360 5.084 ( -1.055 -4.313 4.647) 6.427 5.127 ( 3.205 -0.736 -0.117) 3.290 5.168 ( 1.119 -4.956 0.140) 5.083 5.180 ( 1.916 -2.241 -3.246) 4.385 5.216 ( 3.564 3.713 6.256) 8.101 5.314 ( 3.375 -0.931 7.011) 7.836 5.354 ( 4.614 3.502 -4.050) 7.067 5.409 ( 4.386 -2.031 4.793) 6.807 5.421 ( 5.427 0.321 1.370) 5.606 5.477 ( 3.791 -0.974 -0.625) 3.963 5.530 ( 0.326 2.062 -4.979) 5.399 5.556 ( 1.397 -0.297 -1.964) 2.428 5.655 ( -1.409 3.369 -1.655) 4.009 5.688 ( -1.201 0.748 1.665) 2.185 5.712 ( 2.698 -0.413 -4.172) 4.986 5.745 ( 2.561 -2.045 -0.644) 3.340 5.780 ( -3.919 -0.281 3.794) 5.462 5.791 ( -6.060 -1.694 2.370) 6.724 5.835 ( -0.102 4.147 -2.985) 5.110 5.887 ( -3.779 1.614 0.726) 4.173 5.901 ( -0.732 -0.141 -7.307) 7.345 5.960 ( -1.463 -0.238 1.149) 1.876 5.968 ( -2.788 2.838 -0.952) 4.090 6.033 ( 0.431 3.381 -0.923) 3.531 6.049 ( -1.253 -4.800 -5.179) 7.172 6.075 ( -0.447 1.346 0.528) 1.513 6.093 ( -1.717 1.564 -1.948) 3.032 6.128 ( -1.228 -2.098 -0.791) 2.556 6.165 ( 0.301 0.619 1.552) 1.698 6.220 ( -1.801 -3.078 2.939) 4.621 6.225 ( -0.263 -0.030 -0.527) 0.590 6.269 ( -1.205 -3.016 0.457) 3.280 6.333 ( 3.095 4.688 0.204) 5.621 6.389 ( 0.620 3.329 -3.783) 5.078 6.418 ( 1.884 -1.127 0.009) 2.195 6.469 ( 0.522 -4.121 0.281) 4.163 6.483 ( 0.343 2.758 -3.374) 4.371 6.503 ( -0.988 3.934 -1.739) 4.413 6.583 ( 0.816 -5.225 -0.264) 5.295 6.605 ( -1.030 -1.768 -3.208) 3.805 6.620 ( -0.952 3.269 0.392) 3.427 6.662 ( -2.223 1.357 -2.452) 3.577 6.695 ( -1.371 -4.196 0.491) 4.441 6.731 ( -3.260 -2.898 -0.705) 4.419 6.779 ( -5.060 3.388 5.014) 7.888 6.852 ( -2.605 2.252 2.748) 4.406 6.874 ( 0.291 3.341 1.832) 3.821 6.881 ( -1.368 2.360 -0.918) 2.878 6.904 ( -1.846 -5.614 3.315) 6.776 6.929 ( -0.922 -1.034 1.128) 1.786 6.944 ( 2.117 -0.808 2.369) 3.278 6.958 ( 0.920 -3.172 -1.542) 3.645 6.991 ( 2.143 -1.244 -0.308) 2.497 7.018 ( -2.232 -3.094 1.894) 4.259 7.058 ( -0.658 -0.288 -3.040) 3.124 7.091 ( 0.450 -3.078 -3.295) 4.532 7.112 ( -0.407 2.854 0.857) 3.008 7.177 ( 1.961 -2.597 -0.920) 3.382 7.211 ( -1.575 -0.267 -6.153) 6.357 7.224 ( 0.274 -0.850 -3.384) 3.499 7.355 ( 5.099 2.681 3.304) 6.641 7.361 ( 3.945 0.864 2.372) 4.683 7.414 ( 2.922 3.311 -3.515) 5.645 7.428 ( 1.788 3.765 1.523) 4.438 7.441 ( 2.184 0.389 -2.063) 3.029 7.465 ( 2.224 5.145 -1.172) 5.726 7.497 ( -2.186 -1.862 1.860) 3.421 7.565 ( -1.322 -0.964 -2.717) 3.172 7.591 ( -0.774 2.276 -0.416) 2.440 7.607 ( 0.504 0.275 -0.287) 0.642 7.674 ( -0.059 -4.165 -0.365) 4.182 7.687 ( 0.110 -3.450 -0.374) 3.472 7.834 ( -0.931 2.282 2.394) 3.436 7.884 ( -0.769 3.001 -2.093) 3.739 7.903 ( -0.774 -2.872 2.275) 3.745 7.936 ( 1.663 -1.754 -0.797) 2.545 8.049 ( 0.229 -0.422 0.616) 0.781 8.072 ( 1.241 -0.691 -0.384) 1.471 8.109 ( 2.284 -0.100 0.953) 2.477 8.113 ( 1.901 -4.208 -0.118) 4.619 8.182 ( -2.798 0.890 2.260) 3.705 8.223 ( -2.064 1.594 -0.873) 2.750 8.247 ( -1.269 -3.512 -1.484) 4.019 8.260 ( -0.783 -0.995 -2.347) 2.667 8.420 ( -0.524 1.666 4.319) 4.658 8.464 ( -1.438 -2.568 4.466) 5.349 8.498 ( -0.064 3.584 -3.303) 4.875 8.559 ( -0.721 -3.957 -4.001) 5.674 8.629 ( -1.592 3.029 0.649) 3.483 8.651 ( -2.024 2.300 -0.793) 3.165 8.700 ( -3.069 -1.639 -0.297) 3.492 8.713 ( -2.283 -2.660 -1.077) 3.667 8.767 ( -2.732 3.198 5.067) 6.585 8.797 ( -1.829 -1.074 2.710) 3.441 8.838 ( -4.394 0.056 -0.581) 4.432 8.855 ( -1.650 -1.578 -2.988) 3.760 8.948 ( -7.137 2.534 3.275) 8.251 9.036 ( -5.248 4.677 -0.697) 7.064 9.053 ( -4.324 -2.792 3.573) 6.265 9.201 ( -1.790 4.965 -3.133) 6.138 9.253 ( 3.362 -0.259 -0.972) 3.509 9.313 ( 3.725 13.820 -4.587) 15.031 9.487 ( 1.650 -8.731 1.703) 9.047 9.519 ( 1.397 -5.162 -1.387) 5.525 9.553 ( -1.506 5.792 0.063) 5.985 9.579 ( -1.009 -0.905 -2.330) 2.695 9.659 ( -0.084 -4.750 0.224) 4.756 9.671 ( 1.205 -5.152 -0.388) 5.305 9.806 ( -1.132 2.520 0.492) 2.806 9.834 ( -0.501 0.894 -0.803) 1.302 9.852 ( 0.320 -1.069 0.317) 1.160 9.888 ( -1.391 -2.487 -3.138) 4.239 10.031 ( -3.357 4.015 7.340) 9.015 10.095 ( -3.189 -2.644 10.287) 11.090 10.203 ( -5.392 6.344 -8.870) 12.165 10.306 ( -5.563 -4.047 -10.454) 12.515 10.511 ( 1.833 0.368 4.937) 5.279 10.524 ( 0.961 -0.863 2.529) 2.840 10.570 ( 0.458 1.119 -2.116) 2.437 10.588 ( 0.333 -0.852 -2.780) 2.926 10.861 ( -1.896 0.758 4.457) 4.902 10.886 ( -1.345 -1.671 4.124) 4.649 10.929 ( -2.299 0.610 -2.120) 3.186 10.951 ( -3.023 -1.460 -1.815) 3.816 11.980 ( 0.185 6.282 0.445) 6.300 11.995 ( 0.000 6.626 -0.881) 6.684 12.118 ( -1.495 -7.341 0.229) 7.495 12.130 ( -2.725 -6.631 -0.728) 7.206 12.444 ( 2.411 2.509 1.025) 3.628 12.482 ( 1.441 -0.392 -0.387) 1.542 12.497 ( 2.612 0.806 -2.795) 3.910 12.529 ( 0.697 -1.276 -3.389) 3.688 12.770 ( 0.626 1.903 2.214) 2.986 12.811 ( 2.218 -2.089 2.770) 4.117 12.824 ( 0.192 2.568 -3.302) 4.188 12.878 ( 2.261 -2.694 -3.812) 5.186 13.096 ( -0.084 0.742 1.379) 1.568 13.111 ( -0.537 -0.549 0.806) 1.113 13.128 ( -0.281 0.237 -1.938) 1.972 13.134 ( 0.557 -0.139 -1.604) 1.703 13.244 ( -0.850 4.098 2.108) 4.686 13.300 ( -0.102 2.160 -2.666) 3.433 13.320 ( 1.760 -3.033 0.459) 3.537 13.350 ( 2.066 -2.319 -1.832) 3.606 13.652 ( -8.880 0.738 5.027) 10.231 13.672 ( -7.926 -0.817 5.554) 9.713 13.687 ( -8.114 1.485 2.047) 8.499 13.721 ( -7.361 -1.583 1.148) 7.617 18.961 ( 1.385 2.073 1.405) 2.861 18.997 ( 1.580 0.875 -1.777) 2.534 19.012 ( 1.246 -2.119 0.054) 2.459 19.037 ( 1.463 -2.440 -1.915) 3.429 19.203 ( -2.260 2.317 1.306) 3.491 19.227 ( -1.992 1.852 -0.711) 2.811 19.240 ( -2.133 -1.143 0.911) 2.586 19.264 ( -1.818 -1.479 -1.206) 2.636 19.841 ( 0.401 0.571 3.796) 3.860 19.858 ( -0.069 -0.630 6.381) 6.413 19.876 ( 0.451 1.000 0.652) 1.276 19.903 ( 1.006 -1.324 0.167) 1.671 19.961 ( -2.082 0.935 5.919) 6.344 19.983 ( -2.168 -1.041 8.746) 9.071 20.141 ( -2.421 2.991 -8.995) 9.783 20.194 ( -2.787 -2.286 -11.700) 12.243 20.825 ( 0.531 1.277 3.035) 3.335 20.849 ( 0.402 0.086 2.760) 2.790 20.883 ( -1.016 -0.126 -0.351) 1.083 20.936 ( -0.964 -4.312 -2.821) 5.242 21.056 ( -2.005 4.681 7.459) 9.032 21.138 ( -2.755 -3.455 8.868) 9.908 21.200 ( -1.350 6.521 -5.552) 8.670 21.288 ( -0.242 -0.782 -2.517) 2.646 21.318 ( 0.674 -0.373 0.917) 1.198 21.336 ( 0.125 -3.411 -2.209) 4.066 21.363 ( -0.304 -0.455 -3.050) 3.098 21.366 ( -0.650 -0.758 -5.739) 5.825 21.875 ( -6.562 2.333 6.381) 9.445 21.922 ( -6.163 -1.728 9.277) 11.271 22.026 ( -7.512 5.481 -7.627) 12.027 22.138 ( -8.567 -5.270 -11.408) 15.209 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 6.535 0.874 13.561) 15.079 1.873 ( 3.179 -11.807 4.808) 13.139 1.941 ( -1.973 -4.481 -1.244) 5.052 1.962 ( -0.135 -6.278 -7.244) 9.587 2.281 ( 2.315 7.683 6.363) 10.240 2.336 ( 0.737 3.752 8.947) 9.730 2.420 ( 7.213 4.829 -3.074) 9.209 2.455 ( 1.776 5.050 5.165) 7.439 2.519 ( 4.234 0.961 -0.554) 4.377 2.535 ( -1.131 0.085 3.164) 3.361 2.603 ( 1.279 8.776 -4.105) 9.773 2.690 ( 0.137 2.641 -4.492) 5.212 2.882 ( 2.092 1.523 6.367) 6.873 2.961 ( 7.099 2.994 6.951) 10.376 3.001 ( 5.218 0.511 -1.196) 5.378 3.046 ( 3.735 -1.769 6.264) 7.504 3.049 ( -0.070 -2.308 3.210) 3.954 3.171 ( 1.385 -6.988 -0.412) 7.136 3.203 ( 0.245 -2.569 -4.349) 5.057 3.248 ( -1.758 -6.389 -6.719) 9.437 3.370 ( 1.677 2.457 -1.081) 3.165 3.416 ( 0.028 -0.618 0.673) 0.914 3.464 ( -2.977 0.148 -1.832) 3.498 3.471 ( -1.103 -1.475 3.855) 4.272 3.508 ( -0.835 -1.982 -0.420) 2.191 3.582 ( -2.256 3.819 -3.314) 5.538 3.599 ( -1.611 -4.005 2.621) 5.050 3.644 ( 5.153 0.290 2.030) 5.546 3.725 ( -0.684 -5.617 -0.225) 5.663 3.755 ( 6.881 -4.142 9.310) 12.295 3.817 ( 2.427 4.982 -4.527) 7.156 3.837 ( 3.696 5.144 -0.674) 6.370 3.893 ( -4.070 1.119 2.703) 5.012 3.951 ( 2.542 3.264 -2.373) 4.769 3.994 ( 0.901 -2.558 -1.586) 3.142 4.075 ( -2.069 -2.532 -2.110) 3.892 4.095 ( -1.978 4.186 5.170) 6.940 4.120 ( 3.806 2.269 3.677) 5.758 4.160 ( 1.026 5.916 1.692) 6.238 4.186 ( -3.349 -1.281 1.045) 3.734 4.277 ( -5.378 4.259 -2.615) 7.342 4.294 ( 3.521 -0.250 -6.240) 7.169 4.392 ( -4.424 -7.126 -2.179) 8.666 4.422 ( 1.367 -7.944 -1.103) 8.136 4.435 ( -0.903 1.954 6.573) 6.917 4.517 ( 2.354 -1.844 4.051) 5.035 4.543 ( -2.833 3.008 -3.878) 5.667 4.576 ( -4.271 -0.313 2.114) 4.776 4.608 ( -0.154 0.383 3.960) 3.982 4.641 ( -1.036 -4.569 -3.939) 6.121 4.706 ( 2.154 0.768 -2.675) 3.519 4.755 ( 3.097 -0.350 -0.263) 3.128 4.806 ( -5.004 3.877 -0.081) 6.331 4.809 ( 1.185 4.464 1.086) 4.745 4.884 ( 3.520 -1.179 0.469) 3.742 4.901 ( 3.893 2.013 -1.564) 4.653 4.910 ( 0.449 -0.568 0.355) 0.806 4.970 ( -1.747 -1.382 -3.336) 4.012 4.976 ( -0.952 -1.071 0.462) 1.505 5.019 ( -1.871 -5.584 -1.663) 6.120 5.135 ( 5.481 -0.526 4.116) 6.874 5.181 ( 2.979 -4.991 1.339) 5.965 5.218 ( 3.446 -1.522 -3.222) 4.957 5.240 ( 4.294 -2.387 -2.529) 5.525 5.351 ( 4.563 2.010 3.475) 6.077 5.407 ( 3.270 -1.758 8.028) 8.845 5.451 ( 1.979 3.720 -0.640) 4.262 5.459 ( -0.883 4.416 2.634) 5.217 5.505 ( 2.460 0.306 -0.360) 2.505 5.529 ( -0.351 0.174 -0.028) 0.393 5.557 ( -0.451 0.835 -4.040) 4.150 5.582 ( 1.366 -0.997 -2.266) 2.828 5.622 ( 2.606 4.607 2.661) 5.925 5.652 ( -1.135 1.356 3.349) 3.788 5.676 ( -0.676 -1.359 4.765) 5.001 5.696 ( -0.355 -2.512 3.125) 4.025 5.760 ( -1.626 1.359 -1.540) 2.620 5.787 ( -3.360 0.348 -3.307) 4.728 5.800 ( -1.113 -0.396 -4.253) 4.414 5.833 ( -0.222 -0.946 -3.185) 3.330 5.911 ( 0.815 3.422 4.100) 5.402 5.950 ( 0.039 3.214 0.276) 3.226 5.959 ( 1.312 -0.444 2.868) 3.185 6.009 ( -1.650 -2.665 2.863) 4.246 6.053 ( -0.715 0.801 0.380) 1.139 6.072 ( 0.592 -0.416 -1.079) 1.299 6.096 ( 2.155 0.585 -5.570) 6.001 6.104 ( -0.912 -0.432 -0.535) 1.142 6.152 ( -1.976 0.918 3.909) 4.475 6.181 ( 0.408 -1.779 -0.256) 1.843 6.217 ( -3.449 -1.593 -0.996) 3.927 6.225 ( -1.644 -1.540 -1.964) 2.988 6.389 ( -0.896 5.111 1.685) 5.455 6.403 ( 0.569 5.227 1.779) 5.550 6.422 ( 3.013 5.737 1.076) 6.569 6.473 ( -0.429 0.175 0.681) 0.824 6.495 ( -1.460 -3.219 2.453) 4.302 6.511 ( -2.810 -2.684 -0.950) 4.000 6.524 ( -1.682 -0.680 -2.717) 3.267 6.568 ( 0.980 -1.448 -2.555) 3.096 6.628 ( -0.656 0.485 0.391) 0.904 6.644 ( -0.985 6.844 2.167) 7.246 6.668 ( -1.731 0.259 0.247) 1.768 6.704 ( -0.729 -0.192 -2.486) 2.598 6.727 ( 2.944 3.998 -5.087) 7.108 6.772 ( -1.350 -3.067 -4.986) 6.007 6.854 ( 2.151 -4.658 4.053) 6.538 6.862 ( -0.485 -2.933 2.850) 4.118 6.898 ( -0.357 -4.347 0.537) 4.395 6.919 ( -0.717 -2.985 4.146) 5.159 6.932 ( 0.852 1.840 -1.873) 2.760 7.001 ( 1.697 1.005 2.791) 3.418 7.021 ( -1.297 -2.502 -2.032) 3.475 7.050 ( 2.212 -3.284 1.336) 4.179 7.092 ( 2.101 -0.069 3.437) 4.028 7.117 ( 4.877 -1.117 -4.867) 6.980 7.137 ( 0.617 0.657 -4.763) 4.847 7.170 ( -1.096 0.270 -7.347) 7.433 7.196 ( 0.879 -2.917 -1.730) 3.503 7.222 ( -1.317 -1.931 -3.322) 4.062 7.383 ( -1.270 2.883 3.397) 4.632 7.396 ( 0.232 2.780 2.111) 3.499 7.434 ( 1.092 0.490 2.373) 2.658 7.448 ( -0.104 -0.998 0.991) 1.410 7.473 ( 0.738 0.872 0.869) 1.435 7.500 ( 0.257 -0.287 -1.824) 1.864 7.517 ( -0.506 0.409 -1.550) 1.681 7.549 ( 0.806 -0.234 -1.110) 1.392 7.602 ( -0.849 2.085 1.090) 2.501 7.639 ( 0.513 1.793 -0.800) 2.029 7.679 ( -0.643 -4.242 3.267) 5.393 7.707 ( -2.420 -4.788 0.246) 5.371 7.799 ( -0.871 3.822 3.577) 5.307 7.838 ( 0.688 1.615 0.738) 1.904 7.911 ( -1.583 1.147 -2.341) 3.050 7.917 ( 0.304 0.200 -2.568) 2.594 8.026 ( -1.173 2.334 -0.701) 2.704 8.044 ( -4.009 2.348 -3.799) 6.001 8.076 ( -0.588 -1.674 -1.324) 2.214 8.091 ( -4.031 -0.363 -2.277) 4.644 8.149 ( -0.725 1.188 4.328) 4.546 8.195 ( 0.494 -3.311 1.543) 3.686 8.212 ( 0.031 -1.616 -0.211) 1.630 8.244 ( -0.837 -4.814 -2.688) 5.577 8.442 ( 0.947 3.355 3.645) 5.044 8.456 ( 0.917 0.796 1.854) 2.216 8.502 ( 0.555 3.033 -1.837) 3.589 8.542 ( -0.203 1.184 -5.159) 5.297 8.622 ( -1.724 3.115 1.259) 3.776 8.650 ( -0.367 2.252 -1.747) 2.874 8.673 ( -3.436 2.274 1.296) 4.319 8.689 ( -2.863 -0.144 1.357) 3.171 8.706 ( -1.253 1.015 -2.356) 2.855 8.727 ( -2.472 -2.903 0.602) 3.861 8.748 ( -2.566 -3.313 0.509) 4.221 8.771 ( -5.526 -1.572 -1.002) 5.832 8.853 ( 0.470 -4.319 -2.965) 5.260 8.879 ( -5.677 8.074 -5.918) 11.508 8.935 ( -5.116 -7.806 4.297) 10.275 9.099 ( -7.349 -10.447 -10.053) 16.255 9.330 ( 4.309 10.563 2.682) 11.719 9.403 ( 4.794 12.594 -3.873) 14.021 9.509 ( -1.558 6.444 2.052) 6.940 9.527 ( 2.663 -2.623 3.357) 5.024 9.568 ( 0.933 1.074 -1.700) 2.217 9.604 ( 2.493 -3.410 -2.845) 5.093 9.660 ( -0.382 -5.723 1.877) 6.035 9.708 ( 1.297 -5.682 -2.241) 6.244 9.793 ( -0.060 2.962 1.629) 3.381 9.846 ( -0.556 1.049 1.575) 1.972 9.859 ( 0.947 -2.066 -0.854) 2.428 9.871 ( -0.030 -2.970 -1.743) 3.444 10.008 ( 1.368 1.061 1.721) 2.441 10.040 ( -1.585 -2.196 5.569) 6.193 10.103 ( -3.943 4.750 -6.479) 8.949 10.186 ( -5.547 -3.561 -8.313) 10.609 10.546 ( 2.048 1.787 2.184) 3.486 10.567 ( 2.862 0.487 1.061) 3.091 10.604 ( 2.904 -0.663 -0.371) 3.002 10.624 ( 3.066 -1.998 -1.232) 3.861 10.754 ( -6.542 2.823 3.473) 7.927 10.794 ( -6.313 1.199 0.484) 6.444 10.832 ( -5.802 -2.421 0.674) 6.322 10.853 ( -5.738 -2.235 -0.516) 6.179 11.989 ( 0.706 4.269 0.846) 4.409 12.003 ( 0.745 3.432 -0.492) 3.546 12.060 ( -2.764 -2.573 0.893) 3.881 12.077 ( -2.544 -3.880 -0.678) 4.689 12.519 ( 3.749 1.453 2.853) 4.931 12.550 ( 3.724 -1.067 1.699) 4.230 12.569 ( 2.477 -0.354 -1.173) 2.763 12.583 ( 1.841 -1.051 -0.843) 2.282 12.815 ( 4.242 2.635 2.546) 5.605 12.873 ( 5.832 4.282 -2.665) 7.711 12.883 ( 4.881 -3.637 3.726) 7.137 12.954 ( 5.550 -3.751 -2.755) 7.243 13.066 ( -3.502 -0.541 4.297) 5.570 13.080 ( -1.489 -1.546 3.311) 3.946 13.129 ( -0.079 0.502 -2.235) 2.292 13.143 ( 0.106 -1.214 -2.945) 3.187 13.240 ( -0.246 5.957 1.761) 6.217 13.301 ( -0.713 5.003 -3.604) 6.207 13.338 ( -1.359 -4.107 2.229) 4.867 13.390 ( -0.177 -4.126 -3.035) 5.125 13.454 ( -7.450 2.977 4.739) 9.318 13.509 ( -6.140 -2.372 4.368) 7.900 13.517 ( -6.530 2.839 -1.330) 7.243 13.565 ( -6.557 -2.049 -0.939) 6.934 18.995 ( 1.750 1.891 1.669) 3.070 19.033 ( 1.603 -0.165 -1.078) 1.939 19.039 ( 1.039 -0.900 -0.187) 1.387 19.058 ( 0.266 -2.005 -0.853) 2.196 19.169 ( -0.628 1.851 0.083) 1.956 19.189 ( -1.392 1.197 -1.141) 2.161 19.196 ( -1.909 -0.436 0.376) 1.994 19.225 ( -1.868 -1.475 -1.903) 3.047 19.844 ( 0.177 1.217 5.220) 5.363 19.863 ( 0.183 -0.275 7.574) 7.581 19.890 ( 0.114 -0.243 3.195) 3.206 19.905 ( -0.566 -1.751 2.347) 2.983 19.961 ( 0.621 0.532 4.236) 4.314 19.970 ( 2.701 -0.319 -0.875) 2.857 20.080 ( -3.243 2.680 -7.742) 8.811 20.125 ( -3.658 -1.837 -9.680) 10.510 20.852 ( 1.590 0.869 2.461) 3.057 20.868 ( 1.229 0.700 1.406) 1.995 20.877 ( 0.291 -0.083 1.546) 1.575 20.917 ( -0.954 -2.939 -1.743) 3.548 21.031 ( 0.522 1.944 3.701) 4.213 21.072 ( -2.666 -1.958 7.064) 7.800 21.135 ( -4.167 5.263 -5.522) 8.692 21.225 ( -5.819 -3.664 -7.396) 10.099 21.333 ( 0.806 -0.019 0.402) 0.901 21.337 ( 0.626 -0.390 0.418) 0.847 21.354 ( -0.059 0.266 -1.763) 1.784 21.360 ( -0.104 -0.378 -1.678) 1.724 21.784 ( -1.633 1.610 4.477) 5.030 21.815 ( -3.394 -1.244 6.139) 7.125 21.880 ( -5.865 3.346 -4.689) 8.220 21.950 ( -8.402 -3.331 -6.884) 11.361 ======================= Grid point 67 (30/30) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -4.778 -2.343 5.456) 7.621 1.867 ( 4.778 -2.343 5.456) 7.621 1.934 ( -2.316 -8.642 -1.405) 9.056 1.934 ( 2.316 -8.642 -1.405) 9.056 2.329 ( -1.918 9.598 10.213) 14.146 2.329 ( 1.918 9.598 10.213) 14.146 2.456 ( -1.182 -3.485 5.430) 6.560 2.456 ( 1.182 -3.485 5.430) 6.560 2.559 ( -4.409 9.106 -6.730) 12.151 2.559 ( 4.409 9.106 -6.730) 12.151 2.642 ( -4.050 0.306 -7.713) 8.717 2.642 ( 4.050 0.306 -7.713) 8.717 2.997 ( -6.391 4.962 9.286) 12.316 2.997 ( 6.391 4.962 9.286) 12.316 3.075 ( -2.343 0.717 3.811) 4.531 3.075 ( 2.343 0.717 3.811) 4.531 3.160 ( -5.378 -2.611 -1.572) 6.182 3.160 ( 5.378 -2.611 -1.572) 6.182 3.201 ( -1.959 -4.327 -3.862) 6.122 3.201 ( 1.959 -4.327 -3.862) 6.122 3.364 ( -1.587 2.998 5.202) 6.211 3.364 ( 1.587 2.998 5.202) 6.211 3.482 ( -2.935 -0.172 -0.469) 2.977 3.482 ( 2.935 -0.172 -0.469) 2.977 3.507 ( -3.849 -5.996 -1.456) 7.272 3.507 ( 3.849 -5.996 -1.456) 7.272 3.616 ( -6.637 -8.658 -6.675) 12.790 3.616 ( 6.637 -8.658 -6.675) 12.790 3.794 ( -4.348 2.688 7.332) 8.938 3.794 ( 4.348 2.688 7.332) 8.938 3.857 ( -4.143 -2.563 4.364) 6.540 3.857 ( 4.143 -2.563 4.364) 6.540 3.947 ( -5.391 4.613 0.252) 7.100 3.947 ( 5.391 4.613 0.252) 7.100 3.982 ( -3.218 1.636 -2.485) 4.382 3.982 ( 3.218 1.636 -2.485) 4.382 4.133 ( -3.159 1.682 0.597) 3.628 4.133 ( 3.159 1.682 0.597) 3.628 4.175 ( -1.186 1.393 2.787) 3.334 4.175 ( 1.186 1.393 2.787) 3.334 4.244 ( -2.709 2.286 -2.625) 4.411 4.244 ( 2.709 2.286 -2.625) 4.411 4.357 ( -4.355 -4.918 -8.604) 10.825 4.357 ( 4.355 -4.918 -8.604) 10.825 4.487 ( -3.910 2.293 5.017) 6.761 4.487 ( 3.910 2.293 5.017) 6.761 4.528 ( -1.572 -1.417 0.958) 2.323 4.528 ( 1.572 -1.417 0.958) 2.323 4.661 ( -6.066 3.356 0.175) 6.935 4.661 ( 6.066 3.356 0.175) 6.935 4.704 ( -3.223 -0.511 -2.047) 3.852 4.704 ( 3.223 -0.511 -2.047) 3.852 4.837 ( -1.918 2.109 2.250) 3.631 4.837 ( 1.918 2.109 2.250) 3.631 4.899 ( -2.597 1.828 -3.226) 4.527 4.899 ( 2.597 1.828 -3.226) 4.526 4.958 ( -1.853 -5.698 0.532) 6.015 4.958 ( 1.853 -5.698 0.532) 6.015 4.987 ( -2.606 -3.465 -2.209) 4.866 4.987 ( 2.606 -3.465 -2.209) 4.866 5.243 ( -2.367 1.517 2.397) 3.695 5.243 ( 2.367 1.517 2.397) 3.695 5.280 ( -3.898 -2.303 -0.108) 4.529 5.280 ( 3.898 -2.303 -0.108) 4.529 5.384 ( -1.161 3.282 3.936) 5.255 5.384 ( 1.161 3.282 3.936) 5.255 5.455 ( -0.546 1.059 0.476) 1.283 5.455 ( 0.546 1.059 0.476) 1.283 5.496 ( -0.993 -0.683 0.001) 1.205 5.496 ( 0.993 -0.683 0.001) 1.205 5.593 ( -2.056 -4.885 -5.184) 7.413 5.593 ( 2.056 -4.885 -5.184) 7.413 5.670 ( -2.212 0.539 5.431) 5.889 5.670 ( 2.212 0.539 5.431) 5.889 5.691 ( -1.606 -1.489 3.465) 4.098 5.691 ( 1.606 -1.489 3.465) 4.098 5.754 ( -2.972 1.963 0.016) 3.562 5.754 ( 2.972 1.963 0.016) 3.562 5.782 ( -3.215 -0.041 -2.464) 4.051 5.782 ( 3.215 -0.041 -2.464) 4.051 5.950 ( -3.387 2.758 5.142) 6.747 5.950 ( 3.387 2.758 5.142) 6.747 5.980 ( -1.238 0.853 3.461) 3.773 5.980 ( 1.238 0.853 3.461) 3.773 6.064 ( -1.478 0.446 -0.156) 1.552 6.064 ( 1.478 0.446 -0.156) 1.552 6.093 ( -0.662 -1.694 -1.474) 2.341 6.093 ( 0.662 -1.694 -1.474) 2.341 6.159 ( -1.556 1.670 0.047) 2.284 6.159 ( 1.556 1.670 0.047) 2.284 6.184 ( -1.900 -0.142 -1.770) 2.601 6.184 ( 1.900 -0.142 -1.770) 2.601 6.395 ( -2.966 3.087 3.667) 5.637 6.395 ( 2.966 3.087 3.667) 5.637 6.454 ( -1.552 -2.248 -0.467) 2.772 6.454 ( 1.552 -2.248 -0.467) 2.772 6.495 ( -1.030 4.810 0.476) 4.942 6.495 ( 1.030 4.810 0.476) 4.942 6.526 ( -2.760 1.279 -1.882) 3.577 6.526 ( 2.760 1.279 -1.882) 3.577 6.624 ( -3.496 -0.644 -0.450) 3.583 6.624 ( 3.496 -0.644 -0.450) 3.583 6.663 ( -0.543 -1.080 -2.571) 2.841 6.663 ( 0.543 -1.080 -2.571) 2.841 6.800 ( -4.258 2.329 1.685) 5.137 6.800 ( 4.258 2.329 1.685) 5.137 6.853 ( -5.163 2.184 -1.793) 5.885 6.853 ( 5.163 2.184 -1.793) 5.885 6.921 ( -0.719 -3.775 1.448) 4.106 6.921 ( 0.719 -3.775 1.448) 4.106 6.991 ( -2.840 -6.745 -3.250) 8.007 6.991 ( 2.840 -6.745 -3.250) 8.007 7.055 ( -4.365 2.153 4.132) 6.384 7.055 ( 4.365 2.153 4.132) 6.384 7.120 ( -2.973 -4.389 0.144) 5.304 7.120 ( 2.973 -4.389 0.144) 5.304 7.168 ( -1.252 0.569 -1.916) 2.358 7.168 ( 1.252 0.569 -1.916) 2.358 7.213 ( -2.279 -4.141 -4.460) 6.498 7.213 ( 2.279 -4.141 -4.460) 6.499 7.393 ( -1.682 4.130 0.069) 4.460 7.393 ( 1.682 4.130 0.069) 4.460 7.414 ( -3.498 3.097 -1.005) 4.779 7.414 ( 3.498 3.097 -1.005) 4.779 7.495 ( -2.230 -1.263 0.558) 2.623 7.495 ( 2.230 -1.263 0.558) 2.623 7.524 ( -3.101 -2.692 -1.634) 4.420 7.524 ( 3.101 -2.692 -1.634) 4.420 7.594 ( -2.217 0.360 3.262) 3.960 7.594 ( 2.217 0.360 3.262) 3.960 7.641 ( -1.602 -3.523 -0.543) 3.909 7.641 ( 1.602 -3.524 -0.543) 3.909 7.863 ( -3.253 3.277 0.177) 4.620 7.863 ( 3.253 3.277 0.177) 4.620 7.898 ( -2.631 -0.143 -3.027) 4.013 7.898 ( 2.631 -0.143 -3.027) 4.013 8.020 ( -2.673 4.558 1.345) 5.452 8.020 ( 2.673 4.558 1.345) 5.452 8.060 ( -2.759 2.865 -0.900) 4.077 8.060 ( 2.759 2.865 -0.900) 4.077 8.167 ( -3.092 -0.794 1.627) 3.583 8.167 ( 3.092 -0.794 1.627) 3.583 8.224 ( -0.815 -4.538 -2.254) 5.132 8.224 ( 0.815 -4.538 -2.254) 5.132 8.471 ( -1.649 5.598 2.671) 6.418 8.471 ( 1.649 5.598 2.671) 6.418 8.518 ( -0.747 3.753 -0.826) 3.914 8.518 ( 0.748 3.753 -0.826) 3.914 8.584 ( -1.294 -1.694 -0.385) 2.167 8.584 ( 1.294 -1.694 -0.385) 2.167 8.617 ( -3.683 -1.803 -3.006) 5.084 8.617 ( 3.683 -1.803 -3.006) 5.084 8.709 ( -2.230 1.483 -0.992) 2.856 8.709 ( 2.230 1.483 -0.992) 2.856 8.739 ( -1.748 0.594 -3.367) 3.840 8.739 ( 1.748 0.594 -3.367) 3.840 8.843 ( -2.570 -3.416 2.361) 4.884 8.843 ( 2.570 -3.416 2.361) 4.884 8.950 ( -5.850 -11.049 -7.683) 14.674 8.950 ( 5.850 -11.049 -7.683) 14.674 9.428 ( -4.198 10.967 3.889) 12.370 9.428 ( 4.198 10.967 3.889) 12.370 9.515 ( -3.906 11.007 -4.810) 12.631 9.515 ( 3.906 11.007 -4.810) 12.631 9.611 ( -3.040 -7.338 4.118) 8.947 9.611 ( 3.041 -7.338 4.118) 8.947 9.689 ( -2.958 -6.022 -3.529) 7.581 9.689 ( 2.958 -6.022 -3.529) 7.581 9.811 ( -1.663 2.812 4.185) 5.309 9.811 ( 1.663 2.812 4.185) 5.309 9.878 ( -0.126 -3.567 -1.180) 3.759 9.878 ( 0.126 -3.567 -1.180) 3.759 10.037 ( -1.551 1.793 -1.458) 2.783 10.037 ( 1.551 1.793 -1.458) 2.783 10.080 ( -4.167 -2.274 -4.890) 6.815 10.080 ( 4.167 -2.274 -4.890) 6.815 10.615 ( -4.186 2.850 2.329) 5.574 10.615 ( 4.186 2.850 2.329) 5.574 10.645 ( -3.451 0.882 -0.338) 3.578 10.645 ( 3.451 0.882 -0.338) 3.578 10.715 ( -3.917 -1.739 0.687) 4.341 10.715 ( 3.917 -1.740 0.687) 4.341 10.730 ( -5.015 -2.247 -0.640) 5.532 10.730 ( 5.015 -2.247 -0.640) 5.532 12.013 ( -1.672 1.350 0.972) 2.359 12.013 ( 1.672 1.350 0.972) 2.359 12.029 ( -1.799 -0.186 -0.597) 1.905 12.029 ( 1.799 -0.186 -0.597) 1.905 12.576 ( -1.485 0.310 2.070) 2.567 12.576 ( 1.486 0.310 2.070) 2.567 12.594 ( -0.256 -1.384 0.371) 1.456 12.594 ( 0.256 -1.384 0.371) 1.456 12.939 ( -5.783 2.977 5.650) 8.615 12.939 ( 5.783 2.977 5.650) 8.615 13.013 ( -4.147 -4.093 5.296) 7.874 13.013 ( 4.147 -4.093 5.296) 7.874 13.041 ( -6.273 2.616 -3.242) 7.530 13.041 ( 6.273 2.616 -3.242) 7.530 13.109 ( -4.001 -3.721 -3.230) 6.348 13.109 ( 4.002 -3.721 -3.230) 6.348 13.259 ( -3.730 3.195 2.407) 5.469 13.259 ( 3.730 3.195 2.407) 5.469 13.286 ( -2.024 0.816 0.118) 2.186 13.286 ( 2.024 0.816 0.118) 2.186 13.452 ( -0.319 -0.071 -0.765) 0.832 13.452 ( 0.319 -0.071 -0.765) 0.832 13.466 ( -2.732 -1.249 -1.718) 3.461 13.466 ( 2.732 -1.250 -1.718) 3.461 19.031 ( -1.486 1.190 1.483) 2.413 19.031 ( 1.486 1.190 1.483) 2.413 19.058 ( -0.385 -1.422 -0.931) 1.742 19.058 ( 0.385 -1.422 -0.931) 1.742 19.168 ( -0.409 1.119 -0.252) 1.217 19.168 ( 0.409 1.119 -0.252) 1.217 19.189 ( -1.325 -0.903 -2.049) 2.602 19.189 ( 1.325 -0.903 -2.049) 2.602 19.854 ( -0.735 1.495 6.911) 7.109 19.854 ( 0.735 1.495 6.911) 7.109 19.893 ( -0.594 -2.595 5.450) 6.065 19.893 ( 0.594 -2.595 5.450) 6.065 20.008 ( -3.194 2.394 -4.305) 5.871 20.008 ( 3.194 2.394 -4.305) 5.871 20.044 ( -3.812 -1.314 -6.001) 7.230 20.044 ( 3.812 -1.314 -6.001) 7.230 20.880 ( -0.612 0.464 2.510) 2.625 20.880 ( 0.612 0.464 2.510) 2.625 20.891 ( -1.062 -0.574 1.416) 1.861 20.891 ( 1.062 -0.574 1.416) 1.861 21.060 ( -1.950 1.861 -0.351) 2.718 21.060 ( 1.950 1.861 -0.351) 2.718 21.097 ( -5.216 -1.723 -3.584) 6.559 21.097 ( 5.216 -1.723 -3.584) 6.559 21.350 ( -0.431 0.177 -0.096) 0.476 21.350 ( 0.431 0.177 -0.096) 0.476 21.352 ( -0.592 -0.085 -0.316) 0.677 21.352 ( 0.592 -0.085 -0.316) 0.677 21.796 ( -1.684 0.712 0.491) 1.893 21.796 ( 1.684 0.712 0.491) 1.893 21.811 ( -4.172 -0.808 -1.055) 4.379 21.811 ( 4.172 -0.808 -1.055) 4.379 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 775.823 1824.757 1441.388 0.000 0.000 -0.000 3/28800 20.0 66.191 213.614 204.847 0.000 0.000 -0.000 3/28800 30.0 18.588 59.083 60.672 0.000 0.000 -0.000 3/28800 40.0 8.339 25.451 27.329 0.000 0.000 -0.000 3/28800 50.0 4.782 14.033 15.518 0.000 0.000 -0.000 3/28800 60.0 3.182 9.025 10.167 0.000 0.000 -0.000 3/28800 70.0 2.333 6.426 7.323 0.000 0.000 -0.000 3/28800 80.0 1.826 4.908 5.634 0.000 0.000 -0.000 3/28800 90.0 1.497 3.940 4.545 0.000 0.000 -0.000 3/28800 100.0 1.270 3.281 3.797 0.000 0.000 -0.000 3/28800 110.0 1.104 2.809 3.257 0.000 0.000 -0.000 3/28800 120.0 0.978 2.456 2.851 0.000 0.000 -0.000 3/28800 130.0 0.880 2.183 2.537 0.000 0.000 -0.000 3/28800 140.0 0.802 1.967 2.287 0.000 0.000 -0.000 3/28800 150.0 0.737 1.791 2.084 0.000 0.000 -0.000 3/28800 160.0 0.683 1.645 1.915 0.000 0.000 -0.000 3/28800 170.0 0.638 1.523 1.774 0.000 0.000 -0.000 3/28800 180.0 0.599 1.418 1.653 0.000 0.000 -0.000 3/28800 190.0 0.565 1.328 1.549 0.000 0.000 -0.000 3/28800 200.0 0.535 1.249 1.458 0.000 0.000 -0.000 3/28800 210.0 0.509 1.179 1.378 0.000 0.000 -0.000 3/28800 220.0 0.485 1.118 1.307 0.000 0.000 -0.000 3/28800 230.0 0.464 1.063 1.243 0.000 0.000 -0.000 3/28800 240.0 0.445 1.013 1.186 0.000 0.000 -0.000 3/28800 250.0 0.427 0.968 1.134 0.000 0.000 -0.000 3/28800 260.0 0.411 0.927 1.087 0.000 0.000 -0.000 3/28800 270.0 0.397 0.889 1.044 0.000 0.000 -0.000 3/28800 280.0 0.383 0.855 1.005 0.000 0.000 -0.000 3/28800 290.0 0.370 0.823 0.968 0.000 0.000 -0.000 3/28800 300.0 0.359 0.794 0.935 0.000 0.000 -0.000 3/28800 310.0 0.348 0.767 0.903 0.000 0.000 -0.000 3/28800 320.0 0.337 0.741 0.874 0.000 0.000 -0.000 3/28800 330.0 0.328 0.718 0.847 0.000 0.000 -0.000 3/28800 340.0 0.319 0.696 0.821 0.000 0.000 -0.000 3/28800 350.0 0.310 0.675 0.797 0.000 0.000 -0.000 3/28800 360.0 0.302 0.655 0.775 0.000 0.000 -0.000 3/28800 370.0 0.295 0.637 0.754 0.000 0.000 -0.000 3/28800 380.0 0.287 0.620 0.734 0.000 0.000 -0.000 3/28800 390.0 0.280 0.603 0.715 0.000 0.000 -0.000 3/28800 400.0 0.274 0.588 0.697 0.000 0.000 -0.000 3/28800 410.0 0.268 0.573 0.680 0.000 0.000 -0.000 3/28800 420.0 0.262 0.559 0.663 0.000 0.000 -0.000 3/28800 430.0 0.256 0.546 0.648 0.000 0.000 -0.000 3/28800 440.0 0.250 0.533 0.633 0.000 0.000 -0.000 3/28800 450.0 0.245 0.521 0.619 0.000 0.000 -0.000 3/28800 460.0 0.240 0.509 0.606 0.000 0.000 -0.000 3/28800 470.0 0.235 0.498 0.593 0.000 0.000 -0.000 3/28800 480.0 0.231 0.488 0.580 0.000 0.000 -0.000 3/28800 490.0 0.226 0.478 0.569 0.000 0.000 -0.000 3/28800 500.0 0.222 0.468 0.557 0.000 0.000 -0.000 3/28800 510.0 0.218 0.459 0.546 0.000 0.000 -0.000 3/28800 520.0 0.214 0.450 0.536 0.000 0.000 -0.000 3/28800 530.0 0.210 0.441 0.526 0.000 0.000 -0.000 3/28800 540.0 0.207 0.433 0.516 0.000 0.000 -0.000 3/28800 550.0 0.203 0.425 0.507 0.000 0.000 -0.000 3/28800 560.0 0.200 0.417 0.498 0.000 0.000 -0.000 3/28800 570.0 0.196 0.410 0.489 0.000 0.000 -0.000 3/28800 580.0 0.193 0.403 0.481 0.000 0.000 -0.000 3/28800 590.0 0.190 0.396 0.473 0.000 0.000 -0.000 3/28800 600.0 0.187 0.389 0.465 0.000 0.000 -0.000 3/28800 610.0 0.184 0.383 0.457 0.000 0.000 -0.000 3/28800 620.0 0.181 0.376 0.450 0.000 0.000 -0.000 3/28800 630.0 0.178 0.370 0.443 0.000 0.000 -0.000 3/28800 640.0 0.176 0.365 0.436 0.000 0.000 -0.000 3/28800 650.0 0.173 0.359 0.429 0.000 0.000 -0.000 3/28800 660.0 0.171 0.353 0.423 0.000 0.000 -0.000 3/28800 670.0 0.168 0.348 0.417 0.000 0.000 -0.000 3/28800 680.0 0.166 0.343 0.410 0.000 0.000 -0.000 3/28800 690.0 0.163 0.338 0.405 0.000 0.000 -0.000 3/28800 700.0 0.161 0.333 0.399 0.000 0.000 -0.000 3/28800 710.0 0.159 0.328 0.393 0.000 0.000 -0.000 3/28800 720.0 0.157 0.324 0.388 0.000 0.000 -0.000 3/28800 730.0 0.155 0.319 0.383 0.000 0.000 -0.000 3/28800 740.0 0.153 0.315 0.377 0.000 0.000 -0.000 3/28800 750.0 0.151 0.311 0.372 0.000 0.000 -0.000 3/28800 760.0 0.149 0.307 0.368 0.000 0.000 -0.000 3/28800 770.0 0.147 0.303 0.363 0.000 0.000 -0.000 3/28800 780.0 0.145 0.299 0.358 0.000 0.000 -0.000 3/28800 790.0 0.143 0.295 0.354 0.000 0.000 -0.000 3/28800 800.0 0.142 0.291 0.349 0.000 0.000 -0.000 3/28800 810.0 0.140 0.288 0.345 0.000 0.000 -0.000 3/28800 820.0 0.138 0.284 0.341 0.000 0.000 -0.000 3/28800 830.0 0.137 0.281 0.337 0.000 0.000 -0.000 3/28800 840.0 0.135 0.277 0.333 0.000 0.000 -0.000 3/28800 850.0 0.134 0.274 0.329 0.000 0.000 -0.000 3/28800 860.0 0.132 0.271 0.325 0.000 0.000 -0.000 3/28800 870.0 0.131 0.268 0.321 0.000 0.000 -0.000 3/28800 880.0 0.129 0.265 0.318 0.000 0.000 -0.000 3/28800 890.0 0.128 0.262 0.314 0.000 0.000 -0.000 3/28800 900.0 0.126 0.259 0.311 0.000 0.000 -0.000 3/28800 910.0 0.125 0.256 0.307 0.000 0.000 -0.000 3/28800 920.0 0.124 0.253 0.304 0.000 0.000 -0.000 3/28800 930.0 0.122 0.250 0.301 0.000 0.000 -0.000 3/28800 940.0 0.121 0.248 0.297 0.000 0.000 -0.000 3/28800 950.0 0.120 0.245 0.294 0.000 0.000 -0.000 3/28800 960.0 0.119 0.243 0.291 0.000 0.000 -0.000 3/28800 970.0 0.117 0.240 0.288 0.000 0.000 -0.000 3/28800 980.0 0.116 0.238 0.285 0.000 0.000 -0.000 3/28800 990.0 0.115 0.235 0.283 0.000 0.000 -0.000 3/28800 1000.0 0.114 0.233 0.280 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m835.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:47:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|