----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:16:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.916530230031769 -6.200384540000000 0.000000000000000 b 3.916530230031769 6.200384540000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): *1 Y 0.88059197954415 0.11940802045585 0.75000000000000 88.906 2 Y 0.11940802045585 0.88059197954415 0.25000000000000 88.906 *3 K 0.81410942587543 0.18589057412457 0.25000000000000 39.098 4 K 0.18589057412457 0.81410942587543 0.75000000000000 39.098 *5 P 0.25420265618136 0.30364839926014 0.55780960832320 30.974 6 P 0.69635160073987 0.74579734381865 0.94219039167680 30.974 7 P 0.74579734381865 0.69635160073986 0.44219039167680 30.974 8 P 0.30364839926014 0.25420265618136 0.05780960832320 30.974 *9 P 0.28509493413226 0.62675434042227 0.00455655875266 30.974 10 P 0.37324565957773 0.71490506586774 0.49544344124734 30.974 11 P 0.71490506586774 0.37324565957773 0.99544344124734 30.974 12 P 0.62675434042227 0.28509493413226 0.50455655875266 30.974 *13 O 0.18401474793689 0.24803799353433 0.67568460859681 15.999 14 O 0.75196200646567 0.81598525206311 0.82431539140319 15.999 15 O 0.81598525206311 0.75196200646567 0.32431539140319 15.999 16 O 0.24803799353433 0.18401474793689 0.17568460859681 15.999 *17 O 0.13450232271962 0.15599666692966 0.41394994280589 15.999 18 O 0.84400333307034 0.86549767728038 0.08605005719411 15.999 19 O 0.86549767728038 0.84400333307034 0.58605005719411 15.999 20 O 0.15599666692966 0.13450232271962 0.91394994280589 15.999 *21 O 0.27067674024421 0.53079287691590 0.56436186852674 15.999 22 O 0.46920712308410 0.72932325975579 0.93563813147326 15.999 23 O 0.72932325975579 0.46920712308410 0.43563813147326 15.999 24 O 0.53079287691590 0.27067674024421 0.06436186852674 15.999 *25 O 0.36093413546803 0.50049208570995 0.09071543414157 15.999 26 O 0.49950791429005 0.63906586453197 0.40928456585843 15.999 27 O 0.63906586453197 0.49950791429005 0.90928456585843 15.999 28 O 0.50049208570995 0.36093413546803 0.59071543414157 15.999 *29 O 0.08691344098836 0.48436079866643 0.88595875304914 15.999 30 O 0.51563920133357 0.91308655901164 0.61404124695086 15.999 31 O 0.91308655901164 0.51563920133357 0.11404124695086 15.999 32 O 0.48436079866643 0.08691344098836 0.38595875304914 15.999 *33 O 0.29824551748477 0.81191371051692 0.10446363656664 15.999 34 O 0.18808628948308 0.70175448251523 0.39553636343336 15.999 35 O 0.70175448251523 0.18808628948308 0.89553636343336 15.999 36 O 0.81191371051692 0.29824551748477 0.60446363656664 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.833060460063538 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400769080000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): *1 Y 0.50000000000000 0.61940802045585 0.75000000000000 88.906 > 1 2 Y 0.50000000000000 0.38059197954415 0.25000000000000 88.906 > 2 3 Y 0.00000000000000 0.11940802045585 0.75000000000000 88.906 > 1 4 Y 0.00000000000000 0.88059197954415 0.25000000000000 88.906 > 2 *5 K 0.50000000000000 0.68589057412457 0.25000000000000 39.098 > 3 6 K 0.50000000000000 0.31410942587543 0.75000000000000 39.098 > 4 7 K 0.00000000000000 0.18589057412457 0.25000000000000 39.098 > 3 8 K 0.00000000000000 0.81410942587543 0.75000000000000 39.098 > 4 *9 P 0.27892552772075 0.02472287153939 0.55780960832320 30.974 > 5 10 P 0.72107447227926 0.02472287153939 0.94219039167680 30.974 > 6 11 P 0.72107447227926 0.97527712846061 0.44219039167680 30.974 > 7 12 P 0.27892552772075 0.97527712846061 0.05780960832320 30.974 > 8 *13 P 0.45592463727727 0.17082970314500 0.00455655875266 30.974 > 9 14 P 0.54407536272273 0.17082970314500 0.49544344124734 30.974 > 10 15 P 0.54407536272273 0.82917029685500 0.99544344124734 30.974 > 11 16 P 0.45592463727727 0.82917029685500 0.50455655875266 30.974 > 12 17 P 0.77892552772074 0.52472287153939 0.55780960832320 30.974 > 5 18 P 0.22107447227926 0.52472287153939 0.94219039167680 30.974 > 6 19 P 0.22107447227926 0.47527712846061 0.44219039167680 30.974 > 7 20 P 0.77892552772074 0.47527712846061 0.05780960832320 30.974 > 8 21 P 0.95592463727727 0.67082970314500 0.00455655875266 30.974 > 9 22 P 0.04407536272273 0.67082970314500 0.49544344124734 30.974 > 10 23 P 0.04407536272273 0.32917029685500 0.99544344124734 30.974 > 11 24 P 0.95592463727727 0.32917029685500 0.50455655875266 30.974 > 12 *25 O 0.21602637073561 0.03201162279872 0.67568460859681 15.999 > 13 26 O 0.78397362926439 0.03201162279872 0.82431539140319 15.999 > 14 27 O 0.78397362926439 0.96798837720128 0.32431539140319 15.999 > 15 28 O 0.21602637073561 0.96798837720128 0.17568460859681 15.999 > 16 *29 O 0.14524949482464 0.01074717210502 0.41394994280589 15.999 > 17 30 O 0.85475050517536 0.01074717210502 0.08605005719411 15.999 > 18 31 O 0.85475050517536 0.98925282789498 0.58605005719411 15.999 > 19 32 O 0.14524949482464 0.98925282789498 0.91394994280589 15.999 > 20 *33 O 0.40073480858006 0.13005806833584 0.56436186852674 15.999 > 21 34 O 0.59926519141994 0.13005806833584 0.93563813147326 15.999 > 22 35 O 0.59926519141994 0.86994193166416 0.43563813147326 15.999 > 23 36 O 0.40073480858006 0.86994193166416 0.06436186852674 15.999 > 24 *37 O 0.43071311058899 0.06977897512096 0.09071543414157 15.999 > 25 38 O 0.56928688941101 0.06977897512096 0.40928456585843 15.999 > 26 39 O 0.56928688941101 0.93022102487904 0.90928456585843 15.999 > 27 40 O 0.43071311058899 0.93022102487904 0.59071543414157 15.999 > 28 *41 O 0.28563711982739 0.19872367883904 0.88595875304914 15.999 > 29 42 O 0.71436288017261 0.19872367883904 0.61404124695086 15.999 > 30 43 O 0.71436288017261 0.80127632116096 0.11404124695086 15.999 > 31 44 O 0.28563711982739 0.80127632116096 0.38595875304914 15.999 > 32 *45 O 0.55507961400085 0.25683409651608 0.10446363656664 15.999 > 33 46 O 0.44492038599916 0.25683409651608 0.39553636343336 15.999 > 34 47 O 0.44492038599916 0.74316590348392 0.89553636343336 15.999 > 35 48 O 0.55507961400085 0.74316590348392 0.60446363656664 15.999 > 36 49 O 0.71602637073561 0.53201162279872 0.67568460859681 15.999 > 13 50 O 0.28397362926439 0.53201162279872 0.82431539140319 15.999 > 14 51 O 0.28397362926439 0.46798837720128 0.32431539140319 15.999 > 15 52 O 0.71602637073561 0.46798837720128 0.17568460859681 15.999 > 16 53 O 0.64524949482464 0.51074717210502 0.41394994280589 15.999 > 17 54 O 0.35475050517536 0.51074717210502 0.08605005719411 15.999 > 18 55 O 0.35475050517536 0.48925282789498 0.58605005719411 15.999 > 19 56 O 0.64524949482464 0.48925282789498 0.91394994280589 15.999 > 20 57 O 0.90073480858006 0.63005806833584 0.56436186852674 15.999 > 21 58 O 0.09926519141994 0.63005806833584 0.93563813147326 15.999 > 22 59 O 0.09926519141994 0.36994193166416 0.43563813147326 15.999 > 23 60 O 0.90073480858006 0.36994193166416 0.06436186852674 15.999 > 24 61 O 0.93071311058899 0.56977897512096 0.09071543414157 15.999 > 25 62 O 0.06928688941101 0.56977897512096 0.40928456585843 15.999 > 26 63 O 0.06928688941101 0.43022102487904 0.90928456585843 15.999 > 27 64 O 0.93071311058899 0.43022102487904 0.59071543414157 15.999 > 28 65 O 0.78563711982739 0.69872367883904 0.88595875304914 15.999 > 29 66 O 0.21436288017261 0.69872367883904 0.61404124695086 15.999 > 30 67 O 0.21436288017261 0.30127632116096 0.11404124695086 15.999 > 31 68 O 0.78563711982739 0.30127632116096 0.38595875304914 15.999 > 32 69 O 0.05507961400084 0.75683409651608 0.10446363656664 15.999 > 33 70 O 0.94492038599915 0.75683409651608 0.39553636343336 15.999 > 34 71 O 0.94492038599915 0.24316590348392 0.89553636343336 15.999 > 35 72 O 0.05507961400084 0.24316590348392 0.60446363656664 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.666120920127076 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400769080000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): *1 Y 0.25000000000000 0.61940802045585 0.75000000000000 88.906 > 1 2 Y 0.75000000000000 0.61940802045585 0.75000000000000 88.906 > 1 3 Y 0.25000000000000 0.38059197954415 0.25000000000000 88.906 > 2 4 Y 0.75000000000000 0.38059197954415 0.25000000000000 88.906 > 2 5 Y 0.00000000000000 0.11940802045585 0.75000000000000 88.906 > 1 6 Y 0.50000000000000 0.11940802045585 0.75000000000000 88.906 > 1 7 Y 0.00000000000000 0.88059197954415 0.25000000000000 88.906 > 2 8 Y 0.50000000000000 0.88059197954415 0.25000000000000 88.906 > 2 *9 K 0.25000000000000 0.68589057412457 0.25000000000000 39.098 > 3 10 K 0.75000000000000 0.68589057412457 0.25000000000000 39.098 > 3 11 K 0.25000000000000 0.31410942587543 0.75000000000000 39.098 > 4 12 K 0.75000000000000 0.31410942587543 0.75000000000000 39.098 > 4 13 K 0.00000000000000 0.18589057412457 0.25000000000000 39.098 > 3 14 K 0.50000000000000 0.18589057412457 0.25000000000000 39.098 > 3 15 K 0.00000000000000 0.81410942587543 0.75000000000000 39.098 > 4 16 K 0.50000000000000 0.81410942587543 0.75000000000000 39.098 > 4 *17 P 0.13946276386037 0.02472287153939 0.55780960832320 30.974 > 5 18 P 0.63946276386037 0.02472287153939 0.55780960832320 30.974 > 5 19 P 0.36053723613963 0.02472287153939 0.94219039167680 30.974 > 6 20 P 0.86053723613963 0.02472287153939 0.94219039167680 30.974 > 6 21 P 0.36053723613963 0.97527712846061 0.44219039167680 30.974 > 7 22 P 0.86053723613963 0.97527712846061 0.44219039167680 30.974 > 7 23 P 0.13946276386037 0.97527712846061 0.05780960832320 30.974 > 8 24 P 0.63946276386037 0.97527712846061 0.05780960832320 30.974 > 8 *25 P 0.22796231863863 0.17082970314500 0.00455655875266 30.974 > 9 26 P 0.72796231863863 0.17082970314500 0.00455655875266 30.974 > 9 27 P 0.27203768136137 0.17082970314500 0.49544344124734 30.974 > 10 28 P 0.77203768136137 0.17082970314500 0.49544344124734 30.974 > 10 29 P 0.27203768136137 0.82917029685500 0.99544344124734 30.974 > 11 30 P 0.77203768136137 0.82917029685500 0.99544344124734 30.974 > 11 31 P 0.22796231863863 0.82917029685500 0.50455655875266 30.974 > 12 32 P 0.72796231863863 0.82917029685500 0.50455655875266 30.974 > 12 33 P 0.38946276386037 0.52472287153939 0.55780960832320 30.974 > 5 34 P 0.88946276386037 0.52472287153939 0.55780960832320 30.974 > 5 35 P 0.11053723613963 0.52472287153939 0.94219039167680 30.974 > 6 36 P 0.61053723613963 0.52472287153939 0.94219039167680 30.974 > 6 37 P 0.11053723613963 0.47527712846061 0.44219039167680 30.974 > 7 38 P 0.61053723613963 0.47527712846061 0.44219039167680 30.974 > 7 39 P 0.38946276386037 0.47527712846061 0.05780960832320 30.974 > 8 40 P 0.88946276386037 0.47527712846061 0.05780960832320 30.974 > 8 41 P 0.47796231863863 0.67082970314500 0.00455655875266 30.974 > 9 42 P 0.97796231863863 0.67082970314500 0.00455655875266 30.974 > 9 43 P 0.02203768136137 0.67082970314500 0.49544344124734 30.974 > 10 44 P 0.52203768136137 0.67082970314500 0.49544344124734 30.974 > 10 45 P 0.02203768136137 0.32917029685500 0.99544344124734 30.974 > 11 46 P 0.52203768136137 0.32917029685500 0.99544344124734 30.974 > 11 47 P 0.47796231863863 0.32917029685500 0.50455655875266 30.974 > 12 48 P 0.97796231863863 0.32917029685500 0.50455655875266 30.974 > 12 *49 O 0.10801318536780 0.03201162279872 0.67568460859681 15.999 > 13 50 O 0.60801318536780 0.03201162279872 0.67568460859681 15.999 > 13 51 O 0.39198681463220 0.03201162279872 0.82431539140319 15.999 > 14 52 O 0.89198681463220 0.03201162279872 0.82431539140319 15.999 > 14 53 O 0.39198681463220 0.96798837720128 0.32431539140319 15.999 > 15 54 O 0.89198681463220 0.96798837720128 0.32431539140319 15.999 > 15 55 O 0.10801318536780 0.96798837720128 0.17568460859681 15.999 > 16 56 O 0.60801318536780 0.96798837720128 0.17568460859681 15.999 > 16 *57 O 0.07262474741232 0.01074717210502 0.41394994280589 15.999 > 17 58 O 0.57262474741232 0.01074717210502 0.41394994280589 15.999 > 17 59 O 0.42737525258768 0.01074717210502 0.08605005719411 15.999 > 18 60 O 0.92737525258768 0.01074717210502 0.08605005719411 15.999 > 18 61 O 0.42737525258768 0.98925282789498 0.58605005719411 15.999 > 19 62 O 0.92737525258768 0.98925282789498 0.58605005719411 15.999 > 19 63 O 0.07262474741232 0.98925282789498 0.91394994280589 15.999 > 20 64 O 0.57262474741232 0.98925282789498 0.91394994280589 15.999 > 20 *65 O 0.20036740429003 0.13005806833584 0.56436186852674 15.999 > 21 66 O 0.70036740429003 0.13005806833584 0.56436186852674 15.999 > 21 67 O 0.29963259570997 0.13005806833584 0.93563813147326 15.999 > 22 68 O 0.79963259570997 0.13005806833584 0.93563813147326 15.999 > 22 69 O 0.29963259570997 0.86994193166416 0.43563813147326 15.999 > 23 70 O 0.79963259570997 0.86994193166416 0.43563813147326 15.999 > 23 71 O 0.20036740429003 0.86994193166416 0.06436186852674 15.999 > 24 72 O 0.70036740429003 0.86994193166416 0.06436186852674 15.999 > 24 *73 O 0.21535655529450 0.06977897512096 0.09071543414157 15.999 > 25 74 O 0.71535655529450 0.06977897512096 0.09071543414157 15.999 > 25 75 O 0.28464344470550 0.06977897512096 0.40928456585843 15.999 > 26 76 O 0.78464344470550 0.06977897512096 0.40928456585843 15.999 > 26 77 O 0.28464344470550 0.93022102487904 0.90928456585843 15.999 > 27 78 O 0.78464344470550 0.93022102487904 0.90928456585843 15.999 > 27 79 O 0.21535655529450 0.93022102487904 0.59071543414157 15.999 > 28 80 O 0.71535655529450 0.93022102487904 0.59071543414157 15.999 > 28 *81 O 0.14281855991370 0.19872367883904 0.88595875304914 15.999 > 29 82 O 0.64281855991370 0.19872367883904 0.88595875304914 15.999 > 29 83 O 0.35718144008630 0.19872367883904 0.61404124695086 15.999 > 30 84 O 0.85718144008630 0.19872367883904 0.61404124695086 15.999 > 30 85 O 0.35718144008630 0.80127632116096 0.11404124695086 15.999 > 31 86 O 0.85718144008630 0.80127632116096 0.11404124695086 15.999 > 31 87 O 0.14281855991370 0.80127632116096 0.38595875304914 15.999 > 32 88 O 0.64281855991370 0.80127632116096 0.38595875304914 15.999 > 32 *89 O 0.27753980700042 0.25683409651608 0.10446363656664 15.999 > 33 90 O 0.77753980700042 0.25683409651608 0.10446363656664 15.999 > 33 91 O 0.22246019299958 0.25683409651608 0.39553636343336 15.999 > 34 92 O 0.72246019299958 0.25683409651608 0.39553636343336 15.999 > 34 93 O 0.22246019299958 0.74316590348392 0.89553636343336 15.999 > 35 94 O 0.72246019299958 0.74316590348392 0.89553636343336 15.999 > 35 95 O 0.27753980700042 0.74316590348392 0.60446363656664 15.999 > 36 96 O 0.77753980700042 0.74316590348392 0.60446363656664 15.999 > 36 97 O 0.35801318536780 0.53201162279872 0.67568460859681 15.999 > 13 98 O 0.85801318536780 0.53201162279872 0.67568460859681 15.999 > 13 99 O 0.14198681463220 0.53201162279872 0.82431539140319 15.999 > 14 100 O 0.64198681463220 0.53201162279872 0.82431539140319 15.999 > 14 101 O 0.14198681463220 0.46798837720128 0.32431539140319 15.999 > 15 102 O 0.64198681463220 0.46798837720128 0.32431539140319 15.999 > 15 103 O 0.35801318536780 0.46798837720128 0.17568460859681 15.999 > 16 104 O 0.85801318536780 0.46798837720128 0.17568460859681 15.999 > 16 105 O 0.32262474741232 0.51074717210502 0.41394994280589 15.999 > 17 106 O 0.82262474741232 0.51074717210502 0.41394994280589 15.999 > 17 107 O 0.17737525258768 0.51074717210502 0.08605005719411 15.999 > 18 108 O 0.67737525258768 0.51074717210502 0.08605005719411 15.999 > 18 109 O 0.17737525258768 0.48925282789498 0.58605005719411 15.999 > 19 110 O 0.67737525258768 0.48925282789498 0.58605005719411 15.999 > 19 111 O 0.32262474741232 0.48925282789498 0.91394994280589 15.999 > 20 112 O 0.82262474741232 0.48925282789498 0.91394994280589 15.999 > 20 113 O 0.45036740429003 0.63005806833584 0.56436186852674 15.999 > 21 114 O 0.95036740429003 0.63005806833584 0.56436186852674 15.999 > 21 115 O 0.04963259570997 0.63005806833584 0.93563813147326 15.999 > 22 116 O 0.54963259570997 0.63005806833584 0.93563813147326 15.999 > 22 117 O 0.04963259570997 0.36994193166416 0.43563813147326 15.999 > 23 118 O 0.54963259570997 0.36994193166416 0.43563813147326 15.999 > 23 119 O 0.45036740429003 0.36994193166416 0.06436186852674 15.999 > 24 120 O 0.95036740429003 0.36994193166416 0.06436186852674 15.999 > 24 121 O 0.46535655529450 0.56977897512096 0.09071543414157 15.999 > 25 122 O 0.96535655529450 0.56977897512096 0.09071543414157 15.999 > 25 123 O 0.03464344470550 0.56977897512096 0.40928456585843 15.999 > 26 124 O 0.53464344470550 0.56977897512096 0.40928456585843 15.999 > 26 125 O 0.03464344470550 0.43022102487904 0.90928456585843 15.999 > 27 126 O 0.53464344470550 0.43022102487904 0.90928456585843 15.999 > 27 127 O 0.46535655529450 0.43022102487904 0.59071543414157 15.999 > 28 128 O 0.96535655529450 0.43022102487904 0.59071543414157 15.999 > 28 129 O 0.39281855991370 0.69872367883904 0.88595875304914 15.999 > 29 130 O 0.89281855991370 0.69872367883904 0.88595875304914 15.999 > 29 131 O 0.10718144008630 0.69872367883904 0.61404124695086 15.999 > 30 132 O 0.60718144008630 0.69872367883904 0.61404124695086 15.999 > 30 133 O 0.10718144008630 0.30127632116096 0.11404124695086 15.999 > 31 134 O 0.60718144008630 0.30127632116096 0.11404124695086 15.999 > 31 135 O 0.39281855991370 0.30127632116096 0.38595875304914 15.999 > 32 136 O 0.89281855991370 0.30127632116096 0.38595875304914 15.999 > 32 137 O 0.02753980700042 0.75683409651608 0.10446363656664 15.999 > 33 138 O 0.52753980700042 0.75683409651608 0.10446363656664 15.999 > 33 139 O 0.47246019299958 0.75683409651608 0.39553636343336 15.999 > 34 140 O 0.97246019299958 0.75683409651608 0.39553636343336 15.999 > 34 141 O 0.47246019299958 0.24316590348392 0.89553636343336 15.999 > 35 142 O 0.97246019299958 0.24316590348392 0.89553636343336 15.999 > 35 143 O 0.02753980700042 0.24316590348392 0.60446363656664 15.999 > 36 144 O 0.52753980700042 0.24316590348392 0.60446363656664 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7543750 0.0000000 -0.0101812 0.0000000 2.7269294 0.0000000 -0.0101810 0.0000000 2.7255116 -------------------------- Born effective charges -------------------------- 1 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 2 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 3 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 4 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 5 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 6 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 7 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 8 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 9 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 10 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 11 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 12 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 13 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 14 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 15 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 16 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 17 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 18 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 19 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 20 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 21 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 22 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 23 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 24 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 25 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 26 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 27 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 28 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 29 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 30 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 31 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 32 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 33 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 34 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 35 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 36 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 278), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 278), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.989 Solver_block: 200 / 1120 - Time: 2.318 Solver_block: 300 / 1120 - Time: 2.070 Solver_block: 400 / 1120 - Time: 1.848 Solver_block: 500 / 1120 - Time: 2.000 Solver_block: 600 / 1120 - Time: 1.932 Solver_block: 700 / 1120 - Time: 3.198 Solver_block: 800 / 1120 - Time: 3.558 Solver_block: 900 / 1120 - Time: 1.933 Solver_block: 1000 / 1120 - Time: 2.063 Solver_block: 1100 / 1120 - Time: 2.021 Solver_block: 1120 / 1120 - Time: 0.528 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.292 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 278 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 278), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 278), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 10:17:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:17:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.916530230031769 -6.200384540000000 0.000000000000000 b 3.916530230031769 6.200384540000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): 1 Y 0.88059197954415 0.11940802045585 0.75000000000000 88.906 2 Y 0.11940802045585 0.88059197954415 0.25000000000000 88.906 3 K 0.81410942587543 0.18589057412457 0.25000000000000 39.098 4 K 0.18589057412457 0.81410942587543 0.75000000000000 39.098 5 P 0.25420265618136 0.30364839926014 0.55780960832320 30.974 6 P 0.69635160073987 0.74579734381865 0.94219039167680 30.974 7 P 0.74579734381865 0.69635160073986 0.44219039167680 30.974 8 P 0.30364839926014 0.25420265618136 0.05780960832320 30.974 9 P 0.28509493413226 0.62675434042227 0.00455655875266 30.974 10 P 0.37324565957773 0.71490506586774 0.49544344124734 30.974 11 P 0.71490506586774 0.37324565957773 0.99544344124734 30.974 12 P 0.62675434042227 0.28509493413226 0.50455655875266 30.974 13 O 0.18401474793689 0.24803799353433 0.67568460859681 15.999 14 O 0.75196200646567 0.81598525206311 0.82431539140319 15.999 15 O 0.81598525206311 0.75196200646567 0.32431539140319 15.999 16 O 0.24803799353433 0.18401474793689 0.17568460859681 15.999 17 O 0.13450232271962 0.15599666692966 0.41394994280589 15.999 18 O 0.84400333307034 0.86549767728038 0.08605005719411 15.999 19 O 0.86549767728038 0.84400333307034 0.58605005719411 15.999 20 O 0.15599666692966 0.13450232271962 0.91394994280589 15.999 21 O 0.27067674024421 0.53079287691590 0.56436186852674 15.999 22 O 0.46920712308410 0.72932325975579 0.93563813147326 15.999 23 O 0.72932325975579 0.46920712308410 0.43563813147326 15.999 24 O 0.53079287691590 0.27067674024421 0.06436186852674 15.999 25 O 0.36093413546803 0.50049208570995 0.09071543414157 15.999 26 O 0.49950791429005 0.63906586453197 0.40928456585843 15.999 27 O 0.63906586453197 0.49950791429005 0.90928456585843 15.999 28 O 0.50049208570995 0.36093413546803 0.59071543414157 15.999 29 O 0.08691344098836 0.48436079866643 0.88595875304914 15.999 30 O 0.51563920133357 0.91308655901164 0.61404124695086 15.999 31 O 0.91308655901164 0.51563920133357 0.11404124695086 15.999 32 O 0.48436079866643 0.08691344098836 0.38595875304914 15.999 33 O 0.29824551748477 0.81191371051692 0.10446363656664 15.999 34 O 0.18808628948308 0.70175448251523 0.39553636343336 15.999 35 O 0.70175448251523 0.18808628948308 0.89553636343336 15.999 36 O 0.81191371051692 0.29824551748477 0.60446363656664 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.666120920127076 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400769080000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): 1 Y 0.25000000000000 0.61940802045585 0.75000000000000 88.906 > 1 2 Y 0.75000000000000 0.61940802045585 0.75000000000000 88.906 > 1 3 Y 0.25000000000000 0.38059197954415 0.25000000000000 88.906 > 3 4 Y 0.75000000000000 0.38059197954415 0.25000000000000 88.906 > 3 5 Y 0.00000000000000 0.11940802045585 0.75000000000000 88.906 > 1 6 Y 0.50000000000000 0.11940802045585 0.75000000000000 88.906 > 1 7 Y 0.00000000000000 0.88059197954415 0.25000000000000 88.906 > 3 8 Y 0.50000000000000 0.88059197954415 0.25000000000000 88.906 > 3 9 K 0.25000000000000 0.68589057412457 0.25000000000000 39.098 > 9 10 K 0.75000000000000 0.68589057412457 0.25000000000000 39.098 > 9 11 K 0.25000000000000 0.31410942587543 0.75000000000000 39.098 > 11 12 K 0.75000000000000 0.31410942587543 0.75000000000000 39.098 > 11 13 K 0.00000000000000 0.18589057412457 0.25000000000000 39.098 > 9 14 K 0.50000000000000 0.18589057412457 0.25000000000000 39.098 > 9 15 K 0.00000000000000 0.81410942587543 0.75000000000000 39.098 > 11 16 K 0.50000000000000 0.81410942587543 0.75000000000000 39.098 > 11 17 P 0.13946276386037 0.02472287153939 0.55780960832320 30.974 > 17 18 P 0.63946276386037 0.02472287153939 0.55780960832320 30.974 > 17 19 P 0.36053723613963 0.02472287153939 0.94219039167680 30.974 > 19 20 P 0.86053723613963 0.02472287153939 0.94219039167680 30.974 > 19 21 P 0.36053723613963 0.97527712846061 0.44219039167680 30.974 > 21 22 P 0.86053723613963 0.97527712846061 0.44219039167680 30.974 > 21 23 P 0.13946276386037 0.97527712846061 0.05780960832320 30.974 > 23 24 P 0.63946276386037 0.97527712846061 0.05780960832320 30.974 > 23 25 P 0.22796231863863 0.17082970314500 0.00455655875266 30.974 > 25 26 P 0.72796231863863 0.17082970314500 0.00455655875266 30.974 > 25 27 P 0.27203768136137 0.17082970314500 0.49544344124734 30.974 > 27 28 P 0.77203768136137 0.17082970314500 0.49544344124734 30.974 > 27 29 P 0.27203768136137 0.82917029685500 0.99544344124734 30.974 > 29 30 P 0.77203768136137 0.82917029685500 0.99544344124734 30.974 > 29 31 P 0.22796231863863 0.82917029685500 0.50455655875266 30.974 > 31 32 P 0.72796231863863 0.82917029685500 0.50455655875266 30.974 > 31 33 P 0.38946276386037 0.52472287153939 0.55780960832320 30.974 > 17 34 P 0.88946276386037 0.52472287153939 0.55780960832320 30.974 > 17 35 P 0.11053723613963 0.52472287153939 0.94219039167680 30.974 > 19 36 P 0.61053723613963 0.52472287153939 0.94219039167680 30.974 > 19 37 P 0.11053723613963 0.47527712846061 0.44219039167680 30.974 > 21 38 P 0.61053723613963 0.47527712846061 0.44219039167680 30.974 > 21 39 P 0.38946276386037 0.47527712846061 0.05780960832320 30.974 > 23 40 P 0.88946276386037 0.47527712846061 0.05780960832320 30.974 > 23 41 P 0.47796231863863 0.67082970314500 0.00455655875266 30.974 > 25 42 P 0.97796231863863 0.67082970314500 0.00455655875266 30.974 > 25 43 P 0.02203768136137 0.67082970314500 0.49544344124734 30.974 > 27 44 P 0.52203768136137 0.67082970314500 0.49544344124734 30.974 > 27 45 P 0.02203768136137 0.32917029685500 0.99544344124734 30.974 > 29 46 P 0.52203768136137 0.32917029685500 0.99544344124734 30.974 > 29 47 P 0.47796231863863 0.32917029685500 0.50455655875266 30.974 > 31 48 P 0.97796231863863 0.32917029685500 0.50455655875266 30.974 > 31 49 O 0.10801318536780 0.03201162279872 0.67568460859681 15.999 > 49 50 O 0.60801318536780 0.03201162279872 0.67568460859681 15.999 > 49 51 O 0.39198681463220 0.03201162279872 0.82431539140319 15.999 > 51 52 O 0.89198681463220 0.03201162279872 0.82431539140319 15.999 > 51 53 O 0.39198681463220 0.96798837720128 0.32431539140319 15.999 > 53 54 O 0.89198681463220 0.96798837720128 0.32431539140319 15.999 > 53 55 O 0.10801318536780 0.96798837720128 0.17568460859681 15.999 > 55 56 O 0.60801318536780 0.96798837720128 0.17568460859681 15.999 > 55 57 O 0.07262474741232 0.01074717210502 0.41394994280589 15.999 > 57 58 O 0.57262474741232 0.01074717210502 0.41394994280589 15.999 > 57 59 O 0.42737525258768 0.01074717210502 0.08605005719411 15.999 > 59 60 O 0.92737525258768 0.01074717210502 0.08605005719411 15.999 > 59 61 O 0.42737525258768 0.98925282789498 0.58605005719411 15.999 > 61 62 O 0.92737525258768 0.98925282789498 0.58605005719411 15.999 > 61 63 O 0.07262474741232 0.98925282789498 0.91394994280589 15.999 > 63 64 O 0.57262474741232 0.98925282789498 0.91394994280589 15.999 > 63 65 O 0.20036740429003 0.13005806833584 0.56436186852674 15.999 > 65 66 O 0.70036740429003 0.13005806833584 0.56436186852674 15.999 > 65 67 O 0.29963259570997 0.13005806833584 0.93563813147326 15.999 > 67 68 O 0.79963259570997 0.13005806833584 0.93563813147326 15.999 > 67 69 O 0.29963259570997 0.86994193166416 0.43563813147326 15.999 > 69 70 O 0.79963259570997 0.86994193166416 0.43563813147326 15.999 > 69 71 O 0.20036740429003 0.86994193166416 0.06436186852674 15.999 > 71 72 O 0.70036740429003 0.86994193166416 0.06436186852674 15.999 > 71 73 O 0.21535655529450 0.06977897512096 0.09071543414157 15.999 > 73 74 O 0.71535655529450 0.06977897512096 0.09071543414157 15.999 > 73 75 O 0.28464344470550 0.06977897512096 0.40928456585843 15.999 > 75 76 O 0.78464344470550 0.06977897512096 0.40928456585843 15.999 > 75 77 O 0.28464344470550 0.93022102487904 0.90928456585843 15.999 > 77 78 O 0.78464344470550 0.93022102487904 0.90928456585843 15.999 > 77 79 O 0.21535655529450 0.93022102487904 0.59071543414157 15.999 > 79 80 O 0.71535655529450 0.93022102487904 0.59071543414157 15.999 > 79 81 O 0.14281855991370 0.19872367883904 0.88595875304914 15.999 > 81 82 O 0.64281855991370 0.19872367883904 0.88595875304914 15.999 > 81 83 O 0.35718144008630 0.19872367883904 0.61404124695086 15.999 > 83 84 O 0.85718144008630 0.19872367883904 0.61404124695086 15.999 > 83 85 O 0.35718144008630 0.80127632116096 0.11404124695086 15.999 > 85 86 O 0.85718144008630 0.80127632116096 0.11404124695086 15.999 > 85 87 O 0.14281855991370 0.80127632116096 0.38595875304914 15.999 > 87 88 O 0.64281855991370 0.80127632116096 0.38595875304914 15.999 > 87 89 O 0.27753980700042 0.25683409651608 0.10446363656664 15.999 > 89 90 O 0.77753980700042 0.25683409651608 0.10446363656664 15.999 > 89 91 O 0.22246019299958 0.25683409651608 0.39553636343336 15.999 > 91 92 O 0.72246019299958 0.25683409651608 0.39553636343336 15.999 > 91 93 O 0.22246019299958 0.74316590348392 0.89553636343336 15.999 > 93 94 O 0.72246019299958 0.74316590348392 0.89553636343336 15.999 > 93 95 O 0.27753980700042 0.74316590348392 0.60446363656664 15.999 > 95 96 O 0.77753980700042 0.74316590348392 0.60446363656664 15.999 > 95 97 O 0.35801318536780 0.53201162279872 0.67568460859681 15.999 > 49 98 O 0.85801318536780 0.53201162279872 0.67568460859681 15.999 > 49 99 O 0.14198681463220 0.53201162279872 0.82431539140319 15.999 > 51 100 O 0.64198681463220 0.53201162279872 0.82431539140319 15.999 > 51 101 O 0.14198681463220 0.46798837720128 0.32431539140319 15.999 > 53 102 O 0.64198681463220 0.46798837720128 0.32431539140319 15.999 > 53 103 O 0.35801318536780 0.46798837720128 0.17568460859681 15.999 > 55 104 O 0.85801318536780 0.46798837720128 0.17568460859681 15.999 > 55 105 O 0.32262474741232 0.51074717210502 0.41394994280589 15.999 > 57 106 O 0.82262474741232 0.51074717210502 0.41394994280589 15.999 > 57 107 O 0.17737525258768 0.51074717210502 0.08605005719411 15.999 > 59 108 O 0.67737525258768 0.51074717210502 0.08605005719411 15.999 > 59 109 O 0.17737525258768 0.48925282789498 0.58605005719411 15.999 > 61 110 O 0.67737525258768 0.48925282789498 0.58605005719411 15.999 > 61 111 O 0.32262474741232 0.48925282789498 0.91394994280589 15.999 > 63 112 O 0.82262474741232 0.48925282789498 0.91394994280589 15.999 > 63 113 O 0.45036740429003 0.63005806833584 0.56436186852674 15.999 > 65 114 O 0.95036740429003 0.63005806833584 0.56436186852674 15.999 > 65 115 O 0.04963259570997 0.63005806833584 0.93563813147326 15.999 > 67 116 O 0.54963259570997 0.63005806833584 0.93563813147326 15.999 > 67 117 O 0.04963259570997 0.36994193166416 0.43563813147326 15.999 > 69 118 O 0.54963259570997 0.36994193166416 0.43563813147326 15.999 > 69 119 O 0.45036740429003 0.36994193166416 0.06436186852674 15.999 > 71 120 O 0.95036740429003 0.36994193166416 0.06436186852674 15.999 > 71 121 O 0.46535655529450 0.56977897512096 0.09071543414157 15.999 > 73 122 O 0.96535655529450 0.56977897512096 0.09071543414157 15.999 > 73 123 O 0.03464344470550 0.56977897512096 0.40928456585843 15.999 > 75 124 O 0.53464344470550 0.56977897512096 0.40928456585843 15.999 > 75 125 O 0.03464344470550 0.43022102487904 0.90928456585843 15.999 > 77 126 O 0.53464344470550 0.43022102487904 0.90928456585843 15.999 > 77 127 O 0.46535655529450 0.43022102487904 0.59071543414157 15.999 > 79 128 O 0.96535655529450 0.43022102487904 0.59071543414157 15.999 > 79 129 O 0.39281855991370 0.69872367883904 0.88595875304914 15.999 > 81 130 O 0.89281855991370 0.69872367883904 0.88595875304914 15.999 > 81 131 O 0.10718144008630 0.69872367883904 0.61404124695086 15.999 > 83 132 O 0.60718144008630 0.69872367883904 0.61404124695086 15.999 > 83 133 O 0.10718144008630 0.30127632116096 0.11404124695086 15.999 > 85 134 O 0.60718144008630 0.30127632116096 0.11404124695086 15.999 > 85 135 O 0.39281855991370 0.30127632116096 0.38595875304914 15.999 > 87 136 O 0.89281855991370 0.30127632116096 0.38595875304914 15.999 > 87 137 O 0.02753980700042 0.75683409651608 0.10446363656664 15.999 > 89 138 O 0.52753980700042 0.75683409651608 0.10446363656664 15.999 > 89 139 O 0.47246019299958 0.75683409651608 0.39553636343336 15.999 > 91 140 O 0.97246019299958 0.75683409651608 0.39553636343336 15.999 > 91 141 O 0.47246019299958 0.24316590348392 0.89553636343336 15.999 > 93 142 O 0.97246019299958 0.24316590348392 0.89553636343336 15.999 > 93 143 O 0.02753980700042 0.24316590348392 0.60446363656664 15.999 > 95 144 O 0.52753980700042 0.24316590348392 0.60446363656664 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7543750 0.0000000 -0.0101812 0.0000000 2.7269294 0.0000000 -0.0101810 0.0000000 2.7255116 -------------------------- Born effective charges -------------------------- 1 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 2 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 3 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 4 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 5 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 6 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 7 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 8 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 9 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 10 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 11 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 12 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 13 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 14 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 15 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 16 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 17 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 18 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 19 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 20 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 21 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 22 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 23 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 24 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 25 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 26 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 27 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 28 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 29 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 30 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 31 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 32 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 33 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 34 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 35 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 36 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 89, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:18:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.916530230031769 -6.200384540000000 0.000000000000000 b 3.916530230031769 6.200384540000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): 1 Y 0.88059197954415 0.11940802045585 0.75000000000000 88.906 2 Y 0.11940802045585 0.88059197954415 0.25000000000000 88.906 3 K 0.81410942587543 0.18589057412457 0.25000000000000 39.098 4 K 0.18589057412457 0.81410942587543 0.75000000000000 39.098 5 P 0.25420265618136 0.30364839926014 0.55780960832320 30.974 6 P 0.69635160073987 0.74579734381865 0.94219039167680 30.974 7 P 0.74579734381865 0.69635160073986 0.44219039167680 30.974 8 P 0.30364839926014 0.25420265618136 0.05780960832320 30.974 9 P 0.28509493413226 0.62675434042227 0.00455655875266 30.974 10 P 0.37324565957773 0.71490506586774 0.49544344124734 30.974 11 P 0.71490506586774 0.37324565957773 0.99544344124734 30.974 12 P 0.62675434042227 0.28509493413226 0.50455655875266 30.974 13 O 0.18401474793689 0.24803799353433 0.67568460859681 15.999 14 O 0.75196200646567 0.81598525206311 0.82431539140319 15.999 15 O 0.81598525206311 0.75196200646567 0.32431539140319 15.999 16 O 0.24803799353433 0.18401474793689 0.17568460859681 15.999 17 O 0.13450232271962 0.15599666692966 0.41394994280589 15.999 18 O 0.84400333307034 0.86549767728038 0.08605005719411 15.999 19 O 0.86549767728038 0.84400333307034 0.58605005719411 15.999 20 O 0.15599666692966 0.13450232271962 0.91394994280589 15.999 21 O 0.27067674024421 0.53079287691590 0.56436186852674 15.999 22 O 0.46920712308410 0.72932325975579 0.93563813147326 15.999 23 O 0.72932325975579 0.46920712308410 0.43563813147326 15.999 24 O 0.53079287691590 0.27067674024421 0.06436186852674 15.999 25 O 0.36093413546803 0.50049208570995 0.09071543414157 15.999 26 O 0.49950791429005 0.63906586453197 0.40928456585843 15.999 27 O 0.63906586453197 0.49950791429005 0.90928456585843 15.999 28 O 0.50049208570995 0.36093413546803 0.59071543414157 15.999 29 O 0.08691344098836 0.48436079866643 0.88595875304914 15.999 30 O 0.51563920133357 0.91308655901164 0.61404124695086 15.999 31 O 0.91308655901164 0.51563920133357 0.11404124695086 15.999 32 O 0.48436079866643 0.08691344098836 0.38595875304914 15.999 33 O 0.29824551748477 0.81191371051692 0.10446363656664 15.999 34 O 0.18808628948308 0.70175448251523 0.39553636343336 15.999 35 O 0.70175448251523 0.18808628948308 0.89553636343336 15.999 36 O 0.81191371051692 0.29824551748477 0.60446363656664 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.666120920127076 0.000000000000000 0.000000000000000 b 0.000000000000000 12.400769080000000 0.000000000000000 c -3.772287857754780 0.000000000000000 9.745339134099638 Atomic positions (fractional): 1 Y 0.25000000000000 0.61940802045585 0.75000000000000 88.906 > 1 2 Y 0.75000000000000 0.61940802045585 0.75000000000000 88.906 > 1 3 Y 0.25000000000000 0.38059197954415 0.25000000000000 88.906 > 3 4 Y 0.75000000000000 0.38059197954415 0.25000000000000 88.906 > 3 5 Y 0.00000000000000 0.11940802045585 0.75000000000000 88.906 > 1 6 Y 0.50000000000000 0.11940802045585 0.75000000000000 88.906 > 1 7 Y 0.00000000000000 0.88059197954415 0.25000000000000 88.906 > 3 8 Y 0.50000000000000 0.88059197954415 0.25000000000000 88.906 > 3 9 K 0.25000000000000 0.68589057412457 0.25000000000000 39.098 > 9 10 K 0.75000000000000 0.68589057412457 0.25000000000000 39.098 > 9 11 K 0.25000000000000 0.31410942587543 0.75000000000000 39.098 > 11 12 K 0.75000000000000 0.31410942587543 0.75000000000000 39.098 > 11 13 K 0.00000000000000 0.18589057412457 0.25000000000000 39.098 > 9 14 K 0.50000000000000 0.18589057412457 0.25000000000000 39.098 > 9 15 K 0.00000000000000 0.81410942587543 0.75000000000000 39.098 > 11 16 K 0.50000000000000 0.81410942587543 0.75000000000000 39.098 > 11 17 P 0.13946276386037 0.02472287153939 0.55780960832320 30.974 > 17 18 P 0.63946276386037 0.02472287153939 0.55780960832320 30.974 > 17 19 P 0.36053723613963 0.02472287153939 0.94219039167680 30.974 > 19 20 P 0.86053723613963 0.02472287153939 0.94219039167680 30.974 > 19 21 P 0.36053723613963 0.97527712846061 0.44219039167680 30.974 > 21 22 P 0.86053723613963 0.97527712846061 0.44219039167680 30.974 > 21 23 P 0.13946276386037 0.97527712846061 0.05780960832320 30.974 > 23 24 P 0.63946276386037 0.97527712846061 0.05780960832320 30.974 > 23 25 P 0.22796231863863 0.17082970314500 0.00455655875266 30.974 > 25 26 P 0.72796231863863 0.17082970314500 0.00455655875266 30.974 > 25 27 P 0.27203768136137 0.17082970314500 0.49544344124734 30.974 > 27 28 P 0.77203768136137 0.17082970314500 0.49544344124734 30.974 > 27 29 P 0.27203768136137 0.82917029685500 0.99544344124734 30.974 > 29 30 P 0.77203768136137 0.82917029685500 0.99544344124734 30.974 > 29 31 P 0.22796231863863 0.82917029685500 0.50455655875266 30.974 > 31 32 P 0.72796231863863 0.82917029685500 0.50455655875266 30.974 > 31 33 P 0.38946276386037 0.52472287153939 0.55780960832320 30.974 > 17 34 P 0.88946276386037 0.52472287153939 0.55780960832320 30.974 > 17 35 P 0.11053723613963 0.52472287153939 0.94219039167680 30.974 > 19 36 P 0.61053723613963 0.52472287153939 0.94219039167680 30.974 > 19 37 P 0.11053723613963 0.47527712846061 0.44219039167680 30.974 > 21 38 P 0.61053723613963 0.47527712846061 0.44219039167680 30.974 > 21 39 P 0.38946276386037 0.47527712846061 0.05780960832320 30.974 > 23 40 P 0.88946276386037 0.47527712846061 0.05780960832320 30.974 > 23 41 P 0.47796231863863 0.67082970314500 0.00455655875266 30.974 > 25 42 P 0.97796231863863 0.67082970314500 0.00455655875266 30.974 > 25 43 P 0.02203768136137 0.67082970314500 0.49544344124734 30.974 > 27 44 P 0.52203768136137 0.67082970314500 0.49544344124734 30.974 > 27 45 P 0.02203768136137 0.32917029685500 0.99544344124734 30.974 > 29 46 P 0.52203768136137 0.32917029685500 0.99544344124734 30.974 > 29 47 P 0.47796231863863 0.32917029685500 0.50455655875266 30.974 > 31 48 P 0.97796231863863 0.32917029685500 0.50455655875266 30.974 > 31 49 O 0.10801318536780 0.03201162279872 0.67568460859681 15.999 > 49 50 O 0.60801318536780 0.03201162279872 0.67568460859681 15.999 > 49 51 O 0.39198681463220 0.03201162279872 0.82431539140319 15.999 > 51 52 O 0.89198681463220 0.03201162279872 0.82431539140319 15.999 > 51 53 O 0.39198681463220 0.96798837720128 0.32431539140319 15.999 > 53 54 O 0.89198681463220 0.96798837720128 0.32431539140319 15.999 > 53 55 O 0.10801318536780 0.96798837720128 0.17568460859681 15.999 > 55 56 O 0.60801318536780 0.96798837720128 0.17568460859681 15.999 > 55 57 O 0.07262474741232 0.01074717210502 0.41394994280589 15.999 > 57 58 O 0.57262474741232 0.01074717210502 0.41394994280589 15.999 > 57 59 O 0.42737525258768 0.01074717210502 0.08605005719411 15.999 > 59 60 O 0.92737525258768 0.01074717210502 0.08605005719411 15.999 > 59 61 O 0.42737525258768 0.98925282789498 0.58605005719411 15.999 > 61 62 O 0.92737525258768 0.98925282789498 0.58605005719411 15.999 > 61 63 O 0.07262474741232 0.98925282789498 0.91394994280589 15.999 > 63 64 O 0.57262474741232 0.98925282789498 0.91394994280589 15.999 > 63 65 O 0.20036740429003 0.13005806833584 0.56436186852674 15.999 > 65 66 O 0.70036740429003 0.13005806833584 0.56436186852674 15.999 > 65 67 O 0.29963259570997 0.13005806833584 0.93563813147326 15.999 > 67 68 O 0.79963259570997 0.13005806833584 0.93563813147326 15.999 > 67 69 O 0.29963259570997 0.86994193166416 0.43563813147326 15.999 > 69 70 O 0.79963259570997 0.86994193166416 0.43563813147326 15.999 > 69 71 O 0.20036740429003 0.86994193166416 0.06436186852674 15.999 > 71 72 O 0.70036740429003 0.86994193166416 0.06436186852674 15.999 > 71 73 O 0.21535655529450 0.06977897512096 0.09071543414157 15.999 > 73 74 O 0.71535655529450 0.06977897512096 0.09071543414157 15.999 > 73 75 O 0.28464344470550 0.06977897512096 0.40928456585843 15.999 > 75 76 O 0.78464344470550 0.06977897512096 0.40928456585843 15.999 > 75 77 O 0.28464344470550 0.93022102487904 0.90928456585843 15.999 > 77 78 O 0.78464344470550 0.93022102487904 0.90928456585843 15.999 > 77 79 O 0.21535655529450 0.93022102487904 0.59071543414157 15.999 > 79 80 O 0.71535655529450 0.93022102487904 0.59071543414157 15.999 > 79 81 O 0.14281855991370 0.19872367883904 0.88595875304914 15.999 > 81 82 O 0.64281855991370 0.19872367883904 0.88595875304914 15.999 > 81 83 O 0.35718144008630 0.19872367883904 0.61404124695086 15.999 > 83 84 O 0.85718144008630 0.19872367883904 0.61404124695086 15.999 > 83 85 O 0.35718144008630 0.80127632116096 0.11404124695086 15.999 > 85 86 O 0.85718144008630 0.80127632116096 0.11404124695086 15.999 > 85 87 O 0.14281855991370 0.80127632116096 0.38595875304914 15.999 > 87 88 O 0.64281855991370 0.80127632116096 0.38595875304914 15.999 > 87 89 O 0.27753980700042 0.25683409651608 0.10446363656664 15.999 > 89 90 O 0.77753980700042 0.25683409651608 0.10446363656664 15.999 > 89 91 O 0.22246019299958 0.25683409651608 0.39553636343336 15.999 > 91 92 O 0.72246019299958 0.25683409651608 0.39553636343336 15.999 > 91 93 O 0.22246019299958 0.74316590348392 0.89553636343336 15.999 > 93 94 O 0.72246019299958 0.74316590348392 0.89553636343336 15.999 > 93 95 O 0.27753980700042 0.74316590348392 0.60446363656664 15.999 > 95 96 O 0.77753980700042 0.74316590348392 0.60446363656664 15.999 > 95 97 O 0.35801318536780 0.53201162279872 0.67568460859681 15.999 > 49 98 O 0.85801318536780 0.53201162279872 0.67568460859681 15.999 > 49 99 O 0.14198681463220 0.53201162279872 0.82431539140319 15.999 > 51 100 O 0.64198681463220 0.53201162279872 0.82431539140319 15.999 > 51 101 O 0.14198681463220 0.46798837720128 0.32431539140319 15.999 > 53 102 O 0.64198681463220 0.46798837720128 0.32431539140319 15.999 > 53 103 O 0.35801318536780 0.46798837720128 0.17568460859681 15.999 > 55 104 O 0.85801318536780 0.46798837720128 0.17568460859681 15.999 > 55 105 O 0.32262474741232 0.51074717210502 0.41394994280589 15.999 > 57 106 O 0.82262474741232 0.51074717210502 0.41394994280589 15.999 > 57 107 O 0.17737525258768 0.51074717210502 0.08605005719411 15.999 > 59 108 O 0.67737525258768 0.51074717210502 0.08605005719411 15.999 > 59 109 O 0.17737525258768 0.48925282789498 0.58605005719411 15.999 > 61 110 O 0.67737525258768 0.48925282789498 0.58605005719411 15.999 > 61 111 O 0.32262474741232 0.48925282789498 0.91394994280589 15.999 > 63 112 O 0.82262474741232 0.48925282789498 0.91394994280589 15.999 > 63 113 O 0.45036740429003 0.63005806833584 0.56436186852674 15.999 > 65 114 O 0.95036740429003 0.63005806833584 0.56436186852674 15.999 > 65 115 O 0.04963259570997 0.63005806833584 0.93563813147326 15.999 > 67 116 O 0.54963259570997 0.63005806833584 0.93563813147326 15.999 > 67 117 O 0.04963259570997 0.36994193166416 0.43563813147326 15.999 > 69 118 O 0.54963259570997 0.36994193166416 0.43563813147326 15.999 > 69 119 O 0.45036740429003 0.36994193166416 0.06436186852674 15.999 > 71 120 O 0.95036740429003 0.36994193166416 0.06436186852674 15.999 > 71 121 O 0.46535655529450 0.56977897512096 0.09071543414157 15.999 > 73 122 O 0.96535655529450 0.56977897512096 0.09071543414157 15.999 > 73 123 O 0.03464344470550 0.56977897512096 0.40928456585843 15.999 > 75 124 O 0.53464344470550 0.56977897512096 0.40928456585843 15.999 > 75 125 O 0.03464344470550 0.43022102487904 0.90928456585843 15.999 > 77 126 O 0.53464344470550 0.43022102487904 0.90928456585843 15.999 > 77 127 O 0.46535655529450 0.43022102487904 0.59071543414157 15.999 > 79 128 O 0.96535655529450 0.43022102487904 0.59071543414157 15.999 > 79 129 O 0.39281855991370 0.69872367883904 0.88595875304914 15.999 > 81 130 O 0.89281855991370 0.69872367883904 0.88595875304914 15.999 > 81 131 O 0.10718144008630 0.69872367883904 0.61404124695086 15.999 > 83 132 O 0.60718144008630 0.69872367883904 0.61404124695086 15.999 > 83 133 O 0.10718144008630 0.30127632116096 0.11404124695086 15.999 > 85 134 O 0.60718144008630 0.30127632116096 0.11404124695086 15.999 > 85 135 O 0.39281855991370 0.30127632116096 0.38595875304914 15.999 > 87 136 O 0.89281855991370 0.30127632116096 0.38595875304914 15.999 > 87 137 O 0.02753980700042 0.75683409651608 0.10446363656664 15.999 > 89 138 O 0.52753980700042 0.75683409651608 0.10446363656664 15.999 > 89 139 O 0.47246019299958 0.75683409651608 0.39553636343336 15.999 > 91 140 O 0.97246019299958 0.75683409651608 0.39553636343336 15.999 > 91 141 O 0.47246019299958 0.24316590348392 0.89553636343336 15.999 > 93 142 O 0.97246019299958 0.24316590348392 0.89553636343336 15.999 > 93 143 O 0.02753980700042 0.24316590348392 0.60446363656664 15.999 > 95 144 O 0.52753980700042 0.24316590348392 0.60446363656664 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7543750 0.0000000 -0.0101812 0.0000000 2.7269294 0.0000000 -0.0101810 0.0000000 2.7255116 -------------------------- Born effective charges -------------------------- 1 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 2 Y 4.1328808 0.0000000 0.3472452 0.0000000 3.7915371 0.0000000 -0.1687242 0.0000000 4.5302094 3 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 4 K 1.2021876 0.0000000 0.0087549 0.0000000 1.3658104 0.0000000 -0.0231008 0.0000000 1.2434407 5 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 6 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 7 P 3.8162901 0.3391751 -0.0905035 -0.2520634 3.4905506 0.3827309 -0.2763262 0.1824976 3.2507807 8 P 3.8162901 -0.3391751 -0.0905035 0.2520634 3.4905506 -0.3827309 -0.2763262 -0.1824976 3.2507807 9 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 10 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 11 P 3.6119815 -0.1100709 -0.2841889 -0.3173071 3.8713713 0.2925054 0.3429306 0.2455056 3.0939930 12 P 3.6119815 0.1100709 -0.2841889 0.3173071 3.8713713 -0.2925054 0.3429306 -0.2455056 3.0939930 13 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 14 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 15 O -1.9316792 0.2628164 0.7194865 0.3375413 -1.0961682 -0.2550494 0.6609399 -0.2221323 -1.6405556 16 O -1.9316792 -0.2628164 0.7194865 -0.3375413 -1.0961682 0.2550494 0.6609399 0.2221323 -1.6405556 17 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 18 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 19 O -1.2864336 -0.2058348 -0.5435704 -0.0814866 -1.3510112 -0.4442966 -0.3025961 -0.4182928 -2.1223636 20 O -1.2864336 0.2058348 -0.5435704 0.0814866 -1.3510112 0.4442966 -0.3025961 0.4182928 -2.1223636 21 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 22 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 23 O -2.4276182 -1.1133934 0.4517142 -1.0501160 -1.9359805 0.1391555 0.3000426 0.1073334 -1.0148359 24 O -2.4276182 1.1133934 0.4517142 1.0501160 -1.9359805 -0.1391555 0.3000426 -0.1073334 -1.0148359 25 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 26 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 27 O -1.5497778 -0.8961897 0.1245449 -0.9391351 -2.3579400 0.3470471 0.0638734 0.2943784 -1.0584059 28 O -1.5497778 0.8961897 0.1245449 0.9391351 -2.3579400 -0.3470471 0.0638734 -0.2943784 -1.0584059 29 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 30 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 31 O -1.6875578 0.0087845 -0.5782589 0.1249057 -1.2206471 0.0546343 -0.6465221 -0.1002199 -1.7163611 32 O -1.6875578 -0.0087845 -0.5782589 -0.1249057 -1.2206471 -0.0546343 -0.6465221 0.1002199 -1.7163611 33 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 34 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 35 O -1.2127393 0.0708777 0.0227759 0.0585807 -1.9788486 -0.9321811 -0.0464296 -0.7797898 -1.6790765 36 O -1.2127393 -0.0708777 0.0227759 -0.0585807 -1.9788486 0.9321811 -0.0464296 0.7797898 -1.6790765 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 8 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: 0.53, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 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 0.432 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.333 ( 0.000 0.000 0.000) 0.000 13.376 ( 0.000 0.000 0.000) 0.000 13.543 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.712 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 16.546 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.614 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 19.557 ( 0.000 0.000 0.000) 0.000 19.634 ( 0.000 0.000 0.000) 0.000 19.995 ( 0.000 0.000 0.000) 0.000 20.247 ( 0.000 0.000 0.000) 0.000 21.086 ( 0.000 0.000 0.000) 0.000 21.652 ( 0.000 0.000 0.000) 0.000 23.100 ( 0.000 0.000 0.000) 0.000 23.589 ( 0.000 0.000 0.000) 0.000 26.751 ( 0.000 0.000 0.000) 0.000 26.759 ( 0.000 0.000 0.000) 0.000 28.880 ( 0.000 0.000 0.000) 0.000 29.105 ( 0.000 0.000 0.000) 0.000 29.441 ( 0.000 0.000 0.000) 0.000 29.592 ( 0.000 0.000 0.000) 0.000 30.693 ( 0.000 0.000 0.000) 0.000 30.818 ( 0.000 0.000 0.000) 0.000 31.044 ( 0.000 0.000 0.000) 0.000 31.332 ( 0.000 0.000 0.000) 0.000 32.146 ( 0.000 0.000 0.000) 0.000 32.165 ( 0.000 0.000 0.000) 0.000 32.377 ( 0.000 0.000 0.000) 0.000 32.519 ( 0.000 0.000 0.000) 0.000 33.424 ( 0.000 0.000 0.000) 0.000 34.173 ( 0.000 0.000 0.000) 0.000 35.481 ( 0.000 0.000 0.000) 0.000 35.732 ( 0.000 0.000 0.000) 0.000 35.846 ( 0.000 0.000 0.000) 0.000 36.132 ( 0.000 0.000 0.000) 0.000 36.243 ( 0.000 0.000 0.000) 0.000 36.643 ( 0.000 0.000 0.000) 0.000 36.798 ( 0.000 0.000 0.000) 0.000 39.206 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 22.788 -15.890 7.172) 28.692 0.673 ( 22.627 -16.635 14.760) 31.726 0.872 ( 23.825 -4.433 7.531) 25.377 1.117 ( 27.908 1.857 17.108) 32.787 1.189 ( 1.365 -6.612 5.686) 8.827 2.448 ( 8.033 -7.812 -13.262) 17.362 2.580 ( 2.535 1.391 -10.816) 11.196 2.668 ( 5.744 0.300 5.546) 7.990 2.860 ( 14.589 -6.730 2.893) 16.325 2.932 ( 9.005 3.221 2.665) 9.928 3.222 ( 3.717 -9.423 2.495) 10.432 3.504 ( 2.017 4.243 -2.885) 5.513 3.612 ( -2.896 11.108 -1.478) 11.574 3.691 ( -8.189 5.094 0.875) 9.684 3.931 ( -6.614 -1.364 0.526) 6.774 4.124 ( -7.112 5.517 4.125) 9.902 4.152 ( 1.935 -12.395 -9.347) 15.645 4.261 ( -12.112 -2.692 -2.343) 12.627 4.525 ( -6.243 -0.126 1.955) 6.543 4.574 ( -4.747 -1.213 4.677) 6.773 4.655 ( 6.676 1.679 -11.579) 13.471 4.777 ( -4.287 0.664 -2.226) 4.875 4.868 ( -0.441 5.281 6.134) 8.106 5.056 ( 0.300 -7.018 2.113) 7.336 5.123 ( -1.709 4.348 -2.610) 5.351 5.369 ( -4.186 -1.142 -1.550) 4.608 5.481 ( -1.369 7.821 -3.641) 8.735 5.821 ( 0.795 0.776 2.358) 2.606 5.873 ( -4.648 1.155 -1.040) 4.901 5.912 ( -0.191 -9.315 3.555) 9.972 6.296 ( -0.580 1.512 -2.457) 2.943 6.368 ( -4.062 1.993 -0.514) 4.553 6.587 ( -14.080 3.112 0.006) 14.419 6.700 ( -3.903 1.577 5.198) 6.689 6.912 ( 7.247 5.625 1.248) 9.259 7.003 ( -18.517 1.844 13.969) 23.268 7.243 ( -6.403 3.796 -3.218) 8.110 7.317 ( 0.160 11.583 16.323) 20.015 7.543 ( 8.330 2.060 -2.635) 8.977 7.693 ( 3.238 1.826 1.524) 4.018 8.920 ( -2.146 2.928 -0.235) 3.638 8.964 ( 2.301 2.589 -0.981) 3.600 9.084 ( 7.238 3.763 6.225) 10.262 9.189 ( 7.683 -3.509 -0.679) 8.474 9.271 ( 5.470 -0.272 1.386) 5.650 9.423 ( 1.273 -2.500 0.056) 2.806 9.887 ( 1.913 6.252 -3.671) 7.498 9.898 ( -2.007 2.118 -1.762) 3.409 10.045 ( 0.328 5.790 -0.799) 5.854 10.163 ( 2.487 -4.769 -1.319) 5.537 10.364 ( -5.956 -2.380 2.269) 6.803 10.622 ( -5.973 -1.304 0.975) 6.191 11.193 ( 7.945 3.475 0.017) 8.671 11.297 ( 2.430 -1.031 0.078) 2.641 11.607 ( 3.947 -0.798 -2.037) 4.513 11.653 ( 1.721 1.044 -1.267) 2.378 13.186 ( -2.613 -0.575 0.264) 2.689 13.237 ( -3.202 -1.013 -1.591) 3.716 13.285 ( -3.965 4.618 -1.016) 6.170 13.377 ( 0.889 -2.343 0.056) 2.506 13.630 ( 12.578 11.071 0.054) 16.757 13.698 ( -2.514 2.026 1.037) 3.391 13.806 ( -2.812 2.424 -1.590) 4.039 14.011 ( 1.612 5.764 -0.156) 5.987 14.105 ( 14.403 0.240 -4.276) 15.026 14.164 ( -8.403 -8.769 1.002) 12.187 14.417 ( 4.456 -5.157 0.906) 6.875 14.835 ( -15.967 -37.656 -9.892) 42.080 15.364 ( 0.396 1.046 -0.969) 1.480 15.514 ( -2.480 -11.583 -13.573) 18.014 15.684 ( 2.008 -0.185 0.143) 2.022 15.733 ( 7.139 1.272 0.242) 7.255 16.535 ( -0.171 -1.246 -1.948) 2.318 16.633 ( 2.307 -0.164 2.713) 3.565 16.681 ( 0.587 -0.138 -0.662) 0.895 16.979 ( 11.278 11.786 -9.917) 19.091 19.492 ( -5.150 2.939 -1.728) 6.176 19.602 ( -2.657 1.913 0.622) 3.333 20.049 ( 5.071 4.179 -5.049) 8.287 20.403 ( -5.152 -16.845 -6.394) 18.740 21.087 ( 0.658 0.473 -0.479) 0.941 21.657 ( -0.866 -0.433 -0.297) 1.013 23.101 ( -0.204 -0.847 -0.491) 1.000 23.583 ( 0.407 0.910 -0.780) 1.266 26.744 ( -0.618 1.024 0.117) 1.201 26.765 ( 0.462 -0.921 -0.069) 1.033 29.004 ( -5.735 -9.334 -0.157) 10.956 29.253 ( -0.389 -16.835 -0.324) 16.843 29.523 ( 8.577 -1.339 -0.517) 8.696 30.690 ( -1.737 -0.763 1.057) 2.172 30.808 ( -1.336 -0.583 -0.317) 1.492 31.023 ( -3.258 -0.629 1.025) 3.473 31.114 ( 15.295 -12.051 -65.654) 68.481 31.308 ( 3.372 1.408 -13.196) 13.692 32.171 ( 1.902 -0.874 -0.205) 2.104 32.204 ( 1.032 -1.019 -0.445) 1.518 32.513 ( 3.371 2.843 1.479) 4.651 33.034 ( 9.482 -2.619 -27.169) 28.895 33.430 ( 0.115 -1.236 -0.331) 1.285 34.153 ( -0.975 1.497 -1.364) 2.247 35.495 ( 1.310 0.571 2.452) 2.838 35.841 ( -0.635 -0.881 -1.502) 1.854 36.111 ( 0.224 3.758 1.472) 4.042 36.179 ( 4.572 8.571 5.979) 11.407 36.624 ( 10.768 -1.656 -26.649) 28.791 36.794 ( -0.259 1.135 1.293) 1.740 37.089 ( -27.707 13.256 96.500) 101.270 39.133 ( -6.050 5.076 0.985) 7.958 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 5.165 1.423 2.633) 5.970 1.034 ( 8.576 -6.481 -3.322) 11.251 1.211 ( 23.447 -10.412 4.669) 26.076 1.538 ( 16.336 -19.923 18.737) 31.857 1.825 ( 22.521 -12.275 15.656) 30.049 2.528 ( 4.549 4.932 -11.307) 13.148 2.648 ( 13.315 -7.157 -12.480) 19.602 2.793 ( 1.645 6.980 10.597) 12.795 2.955 ( 2.130 5.051 0.659) 5.521 3.111 ( 3.123 0.299 1.661) 3.549 3.416 ( -3.267 -9.646 1.483) 10.292 3.460 ( 8.729 -0.825 -4.248) 9.743 3.510 ( 14.664 1.073 -11.354) 18.577 3.670 ( -5.367 -5.447 4.973) 9.121 3.740 ( -12.636 -0.842 -1.819) 12.794 3.942 ( -3.147 12.628 1.264) 13.075 4.062 ( -10.322 2.936 4.840) 11.772 4.234 ( -0.867 -1.792 -1.643) 2.581 4.463 ( -12.537 -8.309 1.827) 15.151 4.521 ( 0.564 1.479 2.747) 3.170 4.656 ( 2.420 2.217 -6.834) 7.581 4.753 ( 2.191 3.288 -1.816) 4.349 4.833 ( -2.094 -1.563 2.117) 3.363 4.956 ( -6.337 4.627 -1.550) 7.998 5.096 ( -2.429 1.033 -1.692) 3.135 5.260 ( -4.650 -1.514 -5.082) 7.052 5.447 ( 1.748 1.676 -0.767) 2.540 5.698 ( -12.274 2.043 -3.601) 12.953 5.848 ( 1.083 -0.051 2.637) 2.851 6.016 ( -1.308 -7.171 4.698) 8.672 6.231 ( -4.647 4.398 1.344) 6.538 6.256 ( -10.636 1.524 0.473) 10.755 6.350 ( -3.970 3.242 -2.084) 5.533 6.641 ( -7.530 0.271 7.029) 10.305 6.771 ( -11.502 4.527 5.943) 13.716 6.931 ( -0.733 -0.355 -6.667) 6.717 7.118 ( 0.833 8.003 -1.904) 8.269 7.313 ( -0.304 -0.457 6.355) 6.378 7.602 ( 3.231 5.643 -0.953) 6.572 7.737 ( 4.802 1.505 0.120) 5.034 8.845 ( -2.305 3.171 0.227) 3.927 8.981 ( 2.059 -0.741 -1.797) 2.832 9.112 ( 0.870 3.966 0.123) 4.062 9.376 ( 7.226 1.309 2.457) 7.744 9.436 ( 10.909 -1.774 -0.035) 11.052 9.485 ( 7.492 -0.538 -0.416) 7.523 9.821 ( -5.281 -0.537 -0.371) 5.322 9.859 ( 2.306 2.115 -0.956) 3.272 9.979 ( -1.674 4.787 0.662) 5.114 10.220 ( -3.853 -3.986 1.593) 5.768 10.306 ( -2.857 -1.820 -0.251) 3.397 10.555 ( -5.371 -4.869 0.687) 7.282 11.293 ( 7.802 2.583 -0.039) 8.219 11.347 ( 4.490 1.886 0.157) 4.872 11.670 ( 3.408 0.531 -2.221) 4.102 11.699 ( 6.193 -0.635 -1.114) 6.325 13.044 ( -14.409 7.246 -0.492) 16.136 13.129 ( -3.608 0.990 -0.513) 3.776 13.262 ( 1.513 -2.923 -0.598) 3.346 13.432 ( 0.756 -3.273 0.256) 3.369 13.566 ( -5.074 5.526 -0.104) 7.503 13.721 ( 12.382 11.189 -0.204) 16.690 13.784 ( 0.469 -1.035 1.344) 1.760 13.979 ( -0.031 -0.668 -1.304) 1.466 14.107 ( -10.835 -10.037 1.531) 14.849 14.324 ( 5.656 -1.269 -0.383) 5.809 14.528 ( 0.456 -6.136 2.140) 6.514 14.941 ( 0.701 -18.345 -2.951) 18.594 15.408 ( 2.394 -5.750 0.410) 6.242 15.535 ( 2.630 -4.395 -6.313) 8.129 15.716 ( 1.368 0.126 0.314) 1.409 15.811 ( 4.649 3.569 0.453) 5.878 16.556 ( 1.824 -2.081 -1.070) 2.967 16.678 ( 1.895 -0.402 -0.017) 1.937 16.702 ( 1.027 -0.601 1.317) 1.775 16.974 ( 3.844 4.959 -3.389) 7.131 19.341 ( -6.503 3.978 -2.726) 8.096 19.529 ( -3.917 2.426 0.767) 4.670 20.058 ( 2.506 1.500 -2.621) 3.925 20.462 ( -0.750 -8.731 -1.999) 8.988 21.092 ( 0.976 0.599 -0.520) 1.257 21.643 ( -0.293 0.894 -0.005) 0.941 23.103 ( -0.346 -1.010 -0.713) 1.283 23.581 ( 1.060 0.618 -0.939) 1.545 26.718 ( -0.806 1.510 0.051) 1.712 26.787 ( 0.687 -1.429 0.040) 1.586 28.997 ( -1.138 -0.666 -0.475) 1.401 29.447 ( 3.681 -14.539 0.477) 15.006 29.744 ( 15.972 -2.239 -0.200) 16.130 30.641 ( -6.062 0.629 1.311) 6.234 30.796 ( -1.126 -1.862 -0.355) 2.205 30.973 ( -4.221 -0.930 0.699) 4.379 31.076 ( -0.258 -9.979 -19.744) 22.124 31.261 ( 5.294 3.599 -15.435) 16.710 32.200 ( 0.968 0.147 -0.622) 1.160 32.236 ( 1.685 -1.544 -0.508) 2.341 32.553 ( 2.316 0.371 0.897) 2.511 33.058 ( 6.467 0.624 -9.395) 11.423 33.446 ( 0.272 -1.599 -0.615) 1.735 34.098 ( -1.865 2.339 -2.125) 3.670 35.541 ( 2.675 1.078 4.498) 5.343 35.821 ( -1.796 -1.697 -2.933) 3.835 36.091 ( -0.373 1.332 0.683) 1.543 36.201 ( 2.379 2.594 1.665) 3.894 36.656 ( 5.971 -1.263 -11.633) 13.136 36.780 ( -1.186 2.038 2.822) 3.678 37.122 ( -10.752 2.674 39.452) 40.978 38.943 ( -9.065 7.892 0.465) 12.028 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.313 0.220 0.137) 2.328 1.128 ( 1.283 -0.165 -1.461) 1.951 1.704 ( 17.946 -11.976 0.452) 21.580 2.037 ( 0.317 -3.321 -3.471) 4.814 2.173 ( 14.514 -14.568 11.213) 23.423 2.445 ( -0.264 11.235 11.253) 15.903 2.665 ( -0.412 2.556 -0.619) 2.662 2.818 ( 7.771 -1.727 -9.370) 12.295 2.940 ( -1.523 4.188 8.330) 9.447 3.267 ( -13.735 0.057 -7.026) 15.428 3.417 ( 15.234 -3.191 -1.678) 15.655 3.459 ( 1.811 4.104 -5.049) 6.753 3.609 ( -2.658 -6.346 -0.622) 6.908 3.620 ( 0.479 3.042 -4.980) 5.855 3.752 ( -4.039 -11.947 4.538) 13.403 3.948 ( 6.417 2.811 2.514) 7.443 3.976 ( 5.150 4.902 4.401) 8.362 4.143 ( -1.348 8.370 0.984) 8.534 4.345 ( -9.718 -6.312 5.031) 12.633 4.591 ( -0.388 -2.466 -0.632) 2.575 4.634 ( 0.411 1.851 -2.985) 3.536 4.723 ( 1.488 -3.419 -5.630) 6.753 4.813 ( -0.585 4.341 3.269) 5.466 4.898 ( -0.541 -3.028 0.791) 3.177 5.001 ( -1.844 5.954 -1.243) 6.356 5.241 ( -1.680 -9.412 -5.988) 11.281 5.349 ( -10.796 4.832 -4.740) 12.743 5.484 ( -6.026 3.803 1.992) 7.399 5.903 ( 3.110 -3.314 0.413) 4.564 5.973 ( -8.780 5.024 0.260) 10.119 6.099 ( -6.546 -2.894 5.131) 8.807 6.177 ( 0.391 0.501 0.050) 0.638 6.312 ( 0.842 2.140 -1.442) 2.714 6.550 ( -8.077 0.604 8.558) 11.783 6.611 ( -3.557 3.954 -5.346) 7.541 6.902 ( 0.522 -1.529 -3.569) 3.918 7.071 ( 1.348 3.839 -0.313) 4.081 7.378 ( 1.522 -2.113 3.562) 4.412 7.539 ( -1.647 5.680 0.343) 5.924 7.800 ( 3.660 0.781 -0.642) 3.797 8.806 ( -0.150 0.942 0.480) 1.068 8.965 ( -2.376 1.020 -3.068) 4.013 9.125 ( 3.413 -0.129 1.026) 3.566 9.386 ( -0.969 2.019 -0.330) 2.264 9.616 ( 12.088 3.470 -1.946) 12.726 9.643 ( 7.604 0.344 1.240) 7.712 9.761 ( -1.952 -1.625 1.095) 2.766 9.884 ( 0.604 -1.113 -1.904) 2.286 9.915 ( -2.569 2.325 2.739) 4.417 10.140 ( -8.668 -2.965 1.611) 9.301 10.279 ( -2.541 1.119 0.120) 2.779 10.585 ( 0.956 -5.756 -0.640) 5.870 11.376 ( 4.817 1.497 0.023) 5.045 11.422 ( 6.039 -0.044 0.083) 6.040 11.690 ( 1.626 1.024 -1.382) 2.367 11.796 ( 4.685 -0.532 -0.464) 4.738 12.717 ( -14.317 7.155 -0.310) 16.008 13.074 ( -1.722 0.554 -0.324) 1.837 13.318 ( -0.882 -5.419 0.357) 5.502 13.400 ( -1.154 4.988 0.010) 5.120 13.531 ( 1.177 -1.484 -0.299) 1.918 13.782 ( 3.263 1.921 0.484) 3.817 13.843 ( 9.488 7.682 1.495) 12.299 13.993 ( 1.155 -1.892 -2.334) 3.219 14.043 ( -10.914 -10.507 1.454) 15.219 14.341 ( -1.899 0.094 0.406) 1.944 14.531 ( -3.976 -1.806 -0.253) 4.374 15.160 ( 6.394 -9.001 0.634) 11.059 15.530 ( 2.967 -7.772 0.492) 8.333 15.607 ( 5.297 -2.387 -2.497) 6.324 15.719 ( -0.188 1.532 -0.103) 1.547 15.807 ( -0.381 4.407 0.632) 4.469 16.613 ( 2.902 -2.336 -0.715) 3.793 16.713 ( 0.595 0.323 0.642) 0.933 16.716 ( 0.361 -0.734 0.206) 0.843 16.962 ( 1.139 2.476 -0.872) 2.862 19.204 ( -4.002 2.507 -2.078) 5.159 19.453 ( -2.941 1.713 0.479) 3.437 20.065 ( 1.159 0.566 -1.274) 1.813 20.517 ( 0.128 -4.222 -0.466) 4.249 21.099 ( 0.771 0.369 -0.372) 0.932 21.632 ( -0.040 0.735 0.062) 0.739 23.103 ( -0.196 -0.661 -0.505) 0.854 23.591 ( 0.983 0.072 -0.545) 1.127 26.694 ( -0.537 1.051 0.022) 1.180 26.810 ( 0.517 -1.032 0.059) 1.156 28.981 ( -0.299 0.780 -0.428) 0.939 29.648 ( 5.745 -8.512 0.579) 10.285 30.011 ( 12.200 -2.236 0.779) 12.428 30.509 ( -8.605 1.346 0.523) 8.726 30.801 ( -0.370 -1.312 -0.154) 1.372 30.931 ( -2.340 -0.851 0.249) 2.503 31.069 ( -2.072 -7.954 -6.243) 10.322 31.217 ( 3.751 4.004 -9.306) 10.803 32.196 ( -0.124 0.381 -0.951) 1.032 32.270 ( 1.099 -0.812 -0.127) 1.373 32.582 ( 0.954 0.045 0.487) 1.072 33.106 ( 4.410 0.418 -2.831) 5.258 33.460 ( 0.261 -1.049 -0.626) 1.249 34.032 ( -1.790 1.870 -1.645) 3.067 35.608 ( 3.318 1.482 5.095) 6.258 35.782 ( -2.677 -2.032 -3.842) 5.104 36.079 ( -0.487 0.443 0.434) 0.789 36.224 ( 1.697 0.627 0.292) 1.832 36.690 ( 3.765 -0.970 -6.619) 7.677 36.753 ( -1.940 1.985 3.771) 4.683 37.173 ( -3.772 -0.834 16.323) 16.774 38.732 ( -6.901 6.315 -0.494) 9.368 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 0.000 -0.000) 0.000 1.095 ( 0.000 -0.000 0.000) 0.000 1.846 ( 0.000 -0.000 -0.000) 0.000 2.011 ( 0.000 -0.000 0.000) 0.000 2.502 ( 0.000 -0.000 -0.000) 0.000 2.548 ( 0.000 -0.000 0.000) 0.000 2.603 ( 0.000 -0.000 0.000) 0.000 2.754 ( -0.000 -0.000 0.000) 0.000 3.047 ( 0.000 -0.001 -0.000) 0.001 3.048 ( -0.000 0.001 0.000) 0.001 3.349 ( 0.000 -0.000 -0.000) 0.000 3.452 ( 0.000 -0.000 0.000) 0.000 3.617 ( 0.000 -0.000 0.000) 0.000 3.676 ( 0.000 -0.000 0.000) 0.000 3.874 ( 0.000 -0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 -0.000 -0.000) 0.000 4.161 ( 0.000 0.000 -0.000) 0.000 4.355 ( -0.000 -0.000 0.000) 0.000 4.495 ( 0.000 -0.000 0.000) 0.000 4.605 ( 0.000 0.000 -0.000) 0.000 4.796 ( -0.000 -0.000 0.000) 0.000 4.852 ( 0.000 -0.000 -0.000) 0.000 4.892 ( 0.000 -0.000 0.000) 0.000 4.954 ( 0.000 -0.000 -0.000) 0.000 5.116 ( 0.000 -0.000 -0.000) 0.000 5.325 ( 0.000 -0.000 -0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 -0.000 0.000) 0.000 6.004 ( 0.000 -0.000 -0.000) 0.000 6.021 ( 0.000 -0.000 0.000) 0.000 6.201 ( 0.000 -0.000 0.000) 0.000 6.301 ( 0.000 0.000 -0.000) 0.000 6.514 ( -0.000 -0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.910 ( 0.000 -0.000 0.000) 0.000 7.065 ( 0.000 0.000 -0.000) 0.000 7.417 ( 0.000 -0.000 0.000) 0.000 7.491 ( 0.000 -0.000 0.000) 0.000 7.822 ( 0.000 -0.000 0.000) 0.000 8.809 ( 0.000 -0.000 0.000) 0.000 8.918 ( 0.000 -0.000 0.000) 0.000 9.169 ( 0.000 -0.000 0.000) 0.000 9.359 ( 0.000 -0.000 0.000) 0.000 9.677 ( 0.000 -0.000 0.000) 0.000 9.696 ( 0.000 -0.000 -0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.846 ( -0.000 -0.000 -0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 -0.000 0.000) 0.000 10.242 ( 0.000 -0.000 0.000) 0.000 10.628 ( 0.000 -0.000 0.000) 0.000 11.408 ( 0.000 -0.000 0.000) 0.000 11.491 ( 0.000 -0.000 -0.000) 0.000 11.691 ( 0.000 -0.000 0.000) 0.000 11.835 ( 0.000 -0.000 0.000) 0.000 12.543 ( 0.000 -0.000 0.000) 0.000 13.058 ( 0.000 -0.000 0.000) 0.000 13.325 ( 0.000 -0.000 0.000) 0.000 13.378 ( 0.000 0.000 -0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 13.800 ( 0.000 -0.000 0.000) 0.000 13.901 ( -0.000 -0.000 0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 -0.000 0.000) 0.000 14.316 ( 0.000 -0.000 0.000) 0.000 14.500 ( 0.000 -0.000 0.000) 0.000 15.262 ( 0.000 -0.000 0.000) 0.000 15.623 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 -0.000 0.000) 0.000 15.697 ( 0.000 -0.000 0.000) 0.000 15.753 ( 0.000 0.000 0.000) 0.000 16.677 ( 0.000 -0.000 -0.000) 0.000 16.678 ( -0.000 0.000 0.000) 0.000 16.737 ( 0.000 -0.000 0.000) 0.000 16.955 ( 0.000 -0.000 0.000) 0.000 19.152 ( 0.000 -0.000 0.000) 0.000 19.420 ( 0.000 -0.000 -0.000) 0.000 20.067 ( 0.000 -0.000 0.000) 0.000 20.539 ( 0.000 -0.000 0.000) 0.000 21.102 ( 0.000 -0.000 0.000) 0.000 21.628 ( 0.000 -0.000 0.000) 0.000 23.103 ( 0.000 -0.000 0.000) 0.000 23.598 ( 0.000 -0.000 -0.000) 0.000 26.684 ( 0.000 -0.000 0.000) 0.000 26.821 ( 0.000 -0.000 0.000) 0.000 28.972 ( 0.000 -0.000 0.000) 0.000 29.755 ( 0.000 -0.000 0.000) 0.000 30.130 ( 0.000 -0.000 -0.000) 0.000 30.416 ( 0.000 -0.000 0.000) 0.000 30.804 ( 0.000 -0.000 0.000) 0.000 30.918 ( 0.000 0.000 0.000) 0.000 31.078 ( 0.000 -0.000 0.000) 0.000 31.195 ( 0.000 -0.000 -0.000) 0.000 32.188 ( 0.000 -0.000 0.000) 0.000 32.282 ( 0.000 -0.000 -0.000) 0.000 32.590 ( 0.000 -0.000 0.000) 0.000 33.134 ( 0.000 -0.000 0.000) 0.000 33.466 ( 0.000 -0.000 0.000) 0.000 34.000 ( 0.000 -0.000 0.000) 0.000 35.655 ( 0.000 -0.000 0.000) 0.000 35.748 ( 0.000 -0.000 0.000) 0.000 36.073 ( 0.000 -0.000 0.000) 0.000 36.237 ( 0.000 -0.000 -0.000) 0.000 36.707 ( 0.000 -0.000 -0.000) 0.000 36.735 ( 0.000 -0.000 0.000) 0.000 37.201 ( 0.000 -0.000 0.000) 0.000 38.636 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 17.414 0.000 -3.311) 17.726 1.046 ( 14.612 0.000 21.449) 25.954 1.160 ( 15.422 0.000 2.961) 15.703 1.230 ( 9.665 0.000 13.629) 16.709 1.713 ( 28.953 0.000 15.629) 32.902 2.561 ( 19.213 0.000 -13.584) 23.530 2.598 ( 8.757 0.000 -12.099) 14.935 2.857 ( 12.504 0.000 9.412) 15.650 3.053 ( 6.100 0.000 -1.158) 6.209 3.069 ( 7.609 0.000 1.620) 7.779 3.317 ( -8.974 -0.000 16.700) 18.958 3.425 ( -3.799 -0.000 -21.669) 21.999 3.531 ( 1.370 0.000 -4.237) 4.453 3.625 ( -5.815 -0.000 5.701) 8.143 3.914 ( -10.149 -0.000 -1.403) 10.246 3.919 ( 3.300 0.000 -7.892) 8.554 4.109 ( -0.970 -0.000 2.604) 2.779 4.151 ( 0.121 0.000 0.369) 0.388 4.370 ( -16.378 -0.000 6.890) 17.768 4.525 ( -0.504 -0.000 -1.879) 1.945 4.667 ( -4.698 -0.000 0.320) 4.709 4.735 ( 5.603 0.000 -4.409) 7.130 4.889 ( -7.780 -0.000 2.396) 8.141 5.018 ( -1.532 -0.000 -2.734) 3.134 5.095 ( -4.724 -0.000 2.275) 5.244 5.259 ( -5.491 -0.000 -4.246) 6.941 5.477 ( 2.657 0.000 -7.761) 8.203 5.717 ( -12.760 -0.000 -4.225) 13.442 5.860 ( 2.439 0.000 1.250) 2.741 5.890 ( -2.208 -0.000 8.696) 8.972 6.273 ( -14.503 -0.000 1.929) 14.631 6.292 ( -0.322 -0.000 -0.910) 0.965 6.382 ( -6.511 -0.000 1.540) 6.691 6.633 ( -8.307 -0.000 7.302) 11.059 6.817 ( -11.422 -0.000 5.250) 12.571 6.939 ( -1.432 -0.000 -9.895) 9.998 7.208 ( 0.890 0.000 8.033) 8.083 7.372 ( -6.520 -0.000 1.866) 6.782 7.668 ( 6.654 0.000 -2.487) 7.104 7.741 ( 0.670 0.000 1.592) 1.727 8.882 ( -3.671 -0.000 0.636) 3.725 8.978 ( 0.619 0.000 -1.749) 1.855 9.161 ( -2.975 -0.000 1.216) 3.214 9.377 ( 17.978 0.000 2.253) 18.118 9.430 ( 0.831 0.000 -0.388) 0.917 9.462 ( 13.192 0.000 0.108) 13.192 9.814 ( -6.067 -0.000 3.946) 7.237 9.875 ( -2.501 -0.000 -5.212) 5.781 10.085 ( -1.414 -0.000 -0.673) 1.566 10.107 ( -2.673 -0.000 -1.640) 3.136 10.301 ( 1.092 0.000 0.155) 1.103 10.515 ( -8.713 -0.000 2.253) 9.000 11.332 ( 6.072 0.000 0.363) 6.083 11.356 ( 4.623 0.000 0.036) 4.623 11.672 ( 5.556 0.000 -1.587) 5.778 11.695 ( 4.185 0.000 -1.183) 4.349 13.121 ( -6.876 -0.000 0.530) 6.896 13.137 ( -7.497 -0.000 -1.435) 7.633 13.293 ( -3.696 -0.000 0.027) 3.696 13.300 ( 0.819 0.000 -0.659) 1.051 13.693 ( -2.096 -0.000 2.221) 3.054 13.695 ( -8.611 -0.000 -2.171) 8.881 13.901 ( 1.255 0.000 1.243) 1.767 13.944 ( -6.786 -0.000 0.395) 6.797 14.161 ( 18.376 0.000 2.413) 18.534 14.377 ( 11.775 0.000 -9.388) 15.059 14.449 ( 3.014 0.000 1.329) 3.294 14.500 ( 2.115 0.000 -0.995) 2.338 15.350 ( 1.128 0.000 0.448) 1.213 15.499 ( 6.878 0.000 -6.317) 9.338 15.714 ( 1.195 0.000 1.013) 1.567 15.857 ( 5.960 0.000 0.243) 5.965 16.534 ( 2.065 0.000 -1.130) 2.354 16.681 ( 0.648 0.000 -1.768) 1.883 16.687 ( 1.948 0.000 2.892) 3.487 17.037 ( 1.609 0.000 -7.958) 8.119 19.382 ( -7.991 -0.000 -2.362) 8.333 19.553 ( -4.670 -0.000 0.524) 4.700 20.120 ( 4.304 0.000 -8.031) 9.112 20.314 ( 3.087 0.000 2.094) 3.730 21.098 ( 0.674 0.000 -0.351) 0.759 21.653 ( -0.245 -0.000 0.215) 0.326 23.080 ( -1.766 -0.000 2.444) 3.015 23.585 ( 0.471 0.000 -2.160) 2.211 26.750 ( -0.266 -0.000 0.616) 0.671 26.758 ( 0.221 0.000 -0.765) 0.797 29.047 ( 8.410 0.000 3.209) 9.001 29.209 ( 5.041 0.000 -3.060) 5.897 29.719 ( 15.091 0.000 -0.080) 15.091 30.671 ( -1.763 -0.000 2.730) 3.250 30.746 ( -5.522 -0.000 -2.189) 5.940 30.944 ( -0.141 -0.000 -15.819) 15.820 30.969 ( -3.769 -0.000 1.656) 4.117 31.327 ( 12.584 0.000 -27.594) 30.328 32.207 ( 0.224 0.000 -0.529) 0.575 32.208 ( 2.850 0.000 0.097) 2.852 32.559 ( 1.569 0.000 0.964) 1.841 33.058 ( 8.862 0.000 -15.642) 17.978 33.427 ( -0.235 -0.000 2.132) 2.144 34.124 ( -2.072 -0.000 -2.462) 3.218 35.555 ( 3.031 0.000 4.339) 5.293 35.802 ( -2.003 -0.000 -2.847) 3.480 36.106 ( -1.534 -0.000 0.800) 1.730 36.223 ( 1.816 0.000 -6.430) 6.682 36.641 ( 7.736 0.000 -14.946) 16.829 36.801 ( 0.259 0.000 -1.276) 1.302 37.191 ( -23.817 -0.000 61.549) 65.997 39.027 ( -10.596 -0.000 0.620) 10.615 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.524 0.400 -2.669) 4.439 1.157 ( 2.883 3.443 1.102) 4.624 1.565 ( 22.297 -1.015 9.249) 24.161 1.726 ( 18.666 -16.823 17.009) 30.344 2.079 ( 11.835 -0.500 -1.519) 11.942 2.670 ( 1.630 8.147 -2.348) 8.634 2.745 ( -6.502 2.584 -2.913) 7.579 2.813 ( 1.571 1.323 -12.550) 12.717 3.073 ( 2.154 6.370 11.127) 13.001 3.167 ( -6.960 -5.709 0.955) 9.052 3.291 ( 22.295 -7.927 0.843) 23.677 3.469 ( -7.148 -1.567 -0.910) 7.374 3.517 ( -2.180 -0.598 -2.645) 3.480 3.567 ( -2.214 -1.138 2.144) 3.285 3.831 ( 9.889 6.346 -5.753) 13.082 3.964 ( -1.691 1.408 3.515) 4.147 4.093 ( 3.575 5.202 2.830) 6.917 4.180 ( -8.635 -2.987 5.704) 10.771 4.245 ( 5.428 -6.533 -5.665) 10.209 4.516 ( -0.895 -2.452 -2.043) 3.315 4.601 ( -5.793 -1.378 -3.271) 6.794 4.733 ( -5.615 1.609 0.528) 5.865 4.795 ( -1.414 -4.358 -0.759) 4.644 4.914 ( -3.756 4.350 1.508) 5.942 5.040 ( -6.399 -2.138 1.790) 6.980 5.159 ( -1.321 1.068 -4.382) 4.700 5.428 ( -15.083 2.559 -5.758) 16.346 5.521 ( 3.765 0.031 -3.671) 5.258 5.874 ( -0.358 1.337 3.878) 4.118 5.964 ( -0.666 -7.140 5.837) 9.246 6.047 ( -9.020 1.212 -2.447) 9.424 6.262 ( -1.291 4.740 2.983) 5.748 6.349 ( -0.998 0.821 1.450) 1.942 6.545 ( -8.366 -0.696 6.231) 10.454 6.691 ( -4.662 3.020 -2.107) 5.941 6.869 ( 1.435 -1.273 -9.264) 9.460 7.219 ( -0.713 8.227 0.908) 8.307 7.331 ( 0.587 -2.987 5.010) 5.862 7.663 ( -2.248 5.763 -0.384) 6.198 7.769 ( -0.117 -3.615 -0.284) 3.628 8.833 ( -1.923 0.879 0.720) 2.234 8.990 ( 2.178 1.462 -3.167) 4.113 9.114 ( -2.612 -0.880 2.606) 3.793 9.416 ( -1.514 0.260 -1.364) 2.054 9.637 ( 9.555 0.648 -0.708) 9.603 9.643 ( 8.754 0.375 0.334) 8.768 9.742 ( -3.009 -0.430 2.492) 3.930 9.841 ( -1.746 -2.733 -0.621) 3.302 9.997 ( -2.276 3.845 0.006) 4.468 10.080 ( -3.928 -2.196 0.215) 4.505 10.338 ( -0.766 4.227 -0.375) 4.312 10.449 ( 1.630 -6.790 -0.474) 6.999 11.402 ( 3.260 1.051 0.171) 3.429 11.420 ( 3.646 -0.374 0.279) 3.675 11.728 ( 3.049 2.354 -0.708) 3.917 11.773 ( 4.250 -1.663 -0.386) 4.580 12.889 ( -13.936 9.054 -0.294) 16.621 13.035 ( -7.344 -4.514 -0.184) 8.622 13.246 ( -1.365 -0.920 0.730) 1.801 13.358 ( -1.261 -7.495 -0.374) 7.610 13.539 ( -3.188 4.927 -0.847) 5.930 13.714 ( -2.061 -6.040 1.376) 6.529 13.876 ( -3.107 -0.506 0.339) 3.166 13.933 ( 2.220 -1.973 -0.403) 2.997 14.297 ( 17.428 22.729 -0.971) 28.658 14.387 ( 0.337 4.241 0.622) 4.299 14.484 ( -0.745 -1.912 0.181) 2.060 14.827 ( 11.847 -22.800 -1.202) 25.722 15.424 ( 5.013 -2.239 1.655) 5.735 15.583 ( 6.900 -0.524 -3.743) 7.867 15.728 ( -0.364 0.026 1.154) 1.210 15.903 ( 1.394 3.286 0.239) 3.578 16.581 ( 3.311 -0.766 -0.032) 3.399 16.684 ( 0.665 -1.192 -1.896) 2.336 16.724 ( 0.355 0.095 2.211) 2.242 17.001 ( -0.419 1.135 -3.759) 3.949 19.240 ( -6.689 0.914 -1.707) 6.963 19.475 ( -4.539 0.482 -0.018) 4.565 20.120 ( 3.632 3.622 -4.466) 6.801 20.413 ( 3.179 -4.810 1.530) 5.966 21.104 ( 0.219 0.108 -0.108) 0.267 21.644 ( -0.824 0.332 0.364) 0.960 23.077 ( -1.735 -1.192 3.254) 3.876 23.579 ( 0.436 -0.734 -3.058) 3.175 26.729 ( -0.250 2.244 -0.005) 2.258 26.776 ( 0.321 -2.157 -0.135) 2.185 29.113 ( 6.978 11.843 0.723) 13.765 29.414 ( 9.347 -14.879 -0.260) 17.574 29.951 ( 10.607 -1.467 0.975) 10.752 30.563 ( -8.892 3.154 -0.797) 9.468 30.724 ( -0.660 -5.742 1.925) 6.092 30.890 ( -1.406 -2.224 -3.250) 4.182 30.941 ( -1.670 -1.329 2.473) 3.266 31.352 ( 11.757 4.701 -19.731) 23.444 32.197 ( -0.792 -0.068 -1.018) 1.292 32.255 ( 2.145 -0.546 0.091) 2.216 32.584 ( 0.616 0.142 1.485) 1.613 33.096 ( 5.083 -0.718 -9.492) 10.791 33.447 ( 0.737 -0.298 1.929) 2.087 34.063 ( -2.739 0.923 -2.425) 3.773 35.639 ( 4.193 1.236 5.075) 6.698 35.746 ( -2.788 -1.327 -4.216) 5.225 36.087 ( -1.282 0.310 1.409) 1.930 36.216 ( 2.380 -0.705 -7.884) 8.266 36.675 ( 4.965 -0.403 -8.266) 9.651 36.787 ( -0.706 0.869 -0.506) 1.228 37.188 ( -12.505 1.350 35.895) 38.035 38.828 ( -11.152 2.691 -1.349) 11.552 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.343 0.590 1.772) 2.997 1.125 ( -2.114 2.306 -2.437) 3.966 1.900 ( 7.643 4.110 2.761) 9.107 1.984 ( 2.893 -1.142 -3.474) 4.663 2.339 ( 11.796 -9.620 9.186) 17.778 2.482 ( -2.957 -8.118 -3.991) 9.517 2.689 ( -0.866 5.357 -4.870) 7.292 2.846 ( -4.648 -1.478 1.497) 5.102 2.946 ( 2.654 12.195 -4.751) 13.354 3.154 ( -2.491 -0.187 9.010) 9.350 3.398 ( -8.661 -5.536 0.931) 10.321 3.444 ( -4.963 1.703 -1.532) 5.466 3.560 ( -3.656 -4.332 2.888) 6.362 3.664 ( 7.461 -7.029 -0.426) 10.259 3.765 ( 7.379 10.514 -2.621) 13.109 3.975 ( -1.174 -0.227 1.908) 2.252 4.130 ( -4.658 2.276 4.903) 7.136 4.186 ( 4.313 3.611 -1.648) 5.862 4.391 ( 12.600 2.408 -1.590) 12.926 4.478 ( -0.249 -0.679 0.390) 0.822 4.604 ( -3.551 -10.787 -3.475) 11.876 4.654 ( -0.764 -1.411 0.154) 1.612 4.793 ( -1.797 -7.557 -0.152) 7.769 4.911 ( 0.213 2.047 -2.604) 3.319 4.959 ( -3.114 -0.851 3.455) 4.728 5.096 ( -15.714 0.662 -7.137) 17.271 5.204 ( 6.875 -2.945 0.592) 7.503 5.548 ( 3.110 6.182 0.742) 6.960 5.857 ( -1.392 0.370 -3.057) 3.379 5.976 ( 2.552 -1.216 2.126) 3.537 6.069 ( 0.205 -2.531 5.183) 5.772 6.204 ( -1.745 5.175 4.245) 6.917 6.321 ( -0.611 1.594 -2.173) 2.763 6.479 ( -4.662 -2.179 4.253) 6.676 6.585 ( -0.002 3.305 -7.642) 8.326 6.886 ( 3.443 -1.638 -5.870) 7.000 7.150 ( 0.599 6.820 2.402) 7.256 7.400 ( 0.819 -1.506 3.102) 3.545 7.543 ( -4.385 4.570 0.453) 6.350 7.776 ( -3.846 -4.366 -0.106) 5.819 8.817 ( 0.036 0.357 0.818) 0.893 8.953 ( -0.391 3.617 -0.680) 3.701 9.144 ( 0.183 -2.447 1.177) 2.721 9.378 ( -0.667 0.449 -2.090) 2.240 9.590 ( -8.815 -2.450 1.649) 9.296 9.690 ( -3.152 -0.823 -0.307) 3.272 9.821 ( -0.583 -4.477 -0.031) 4.515 9.826 ( -1.190 -0.173 -0.048) 1.203 9.976 ( 4.033 3.935 -0.310) 5.643 10.076 ( 4.353 1.428 -0.002) 4.581 10.270 ( 0.253 2.472 -0.467) 2.528 10.580 ( 4.900 -4.198 -1.298) 6.582 11.412 ( -1.309 0.555 0.141) 1.429 11.481 ( 1.277 -0.944 0.521) 1.672 11.721 ( -0.123 2.627 0.360) 2.654 11.822 ( -0.316 -1.331 0.266) 1.393 12.615 ( -6.408 6.934 -0.064) 9.441 12.990 ( -5.611 -6.950 0.126) 8.933 13.255 ( -0.352 -2.848 0.525) 2.917 13.389 ( -5.030 -9.197 -0.135) 10.483 13.478 ( 1.382 5.232 -0.457) 5.430 13.758 ( -1.155 -5.611 0.136) 5.731 13.844 ( -0.066 2.390 0.714) 2.495 13.990 ( 1.493 -2.281 -0.581) 2.788 14.322 ( 9.720 14.458 -1.497) 17.486 14.367 ( 6.148 8.596 0.920) 10.608 14.497 ( 2.982 1.038 -0.100) 3.159 15.146 ( 5.442 -11.712 -0.260) 12.918 15.538 ( 3.435 -3.029 2.018) 5.004 15.678 ( 5.917 -0.905 -1.899) 6.280 15.716 ( -1.046 0.503 -0.004) 1.160 15.846 ( -2.014 6.258 0.415) 6.587 16.639 ( 2.711 -1.228 -0.396) 3.002 16.700 ( -0.973 -1.761 0.330) 2.039 16.721 ( -0.451 0.531 0.066) 0.700 16.959 ( -1.993 0.231 -1.431) 2.464 19.150 ( -3.072 -0.081 0.255) 3.084 19.415 ( -2.266 -0.446 -0.710) 2.416 20.113 ( 2.808 3.838 -2.288) 5.277 20.510 ( 2.839 -2.585 1.300) 4.053 21.101 ( -0.633 -0.120 0.230) 0.684 21.628 ( -1.091 -0.013 0.416) 1.168 23.084 ( -1.756 -1.438 3.562) 4.223 23.575 ( -0.236 -1.785 -3.031) 3.526 26.705 ( 0.002 1.945 -0.098) 1.948 26.801 ( 0.146 -1.825 -0.035) 1.831 29.092 ( 5.579 11.429 -0.181) 12.719 29.709 ( 10.540 -8.715 0.152) 13.677 30.029 ( -4.563 -2.173 0.317) 5.064 30.434 ( -4.751 -2.496 0.908) 5.443 30.786 ( 1.268 -1.369 1.582) 2.447 30.886 ( -0.809 -2.515 -0.771) 2.752 30.988 ( 2.243 -1.138 6.535) 7.002 31.366 ( 10.504 8.627 -10.796) 17.359 32.178 ( -1.112 -0.761 -0.673) 1.506 32.284 ( 1.091 0.107 0.002) 1.096 32.593 ( -0.481 0.229 1.592) 1.679 33.108 ( 0.381 -2.061 -6.319) 6.658 33.472 ( 1.092 0.519 1.534) 1.953 34.005 ( -1.792 0.361 -1.053) 2.110 35.656 ( -2.300 0.048 -3.978) 4.595 35.752 ( 3.683 0.265 2.999) 4.757 36.078 ( -0.816 0.351 1.792) 2.000 36.209 ( 1.104 -2.138 -8.708) 9.035 36.698 ( 2.633 -0.275 -5.242) 5.873 36.759 ( -1.794 1.317 2.320) 3.215 37.211 ( -4.787 0.801 18.529) 19.154 38.643 ( -6.892 0.595 -2.730) 7.437 ======================= Grid point 13 (9/93) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.362 1.499 -1.821) 3.338 1.130 ( 0.980 -0.047 2.795) 2.962 1.960 ( 8.560 0.383 3.983) 9.449 2.016 ( -4.774 8.165 6.523) 11.489 2.240 ( -16.094 -3.175 -8.565) 18.506 2.456 ( -6.973 7.011 -10.482) 14.410 2.686 ( 8.664 1.398 0.022) 8.776 2.880 ( 7.435 5.762 -0.250) 9.410 2.986 ( -10.364 7.745 -3.061) 13.296 3.101 ( 7.947 -12.327 5.840) 15.786 3.344 ( -7.410 -7.708 0.342) 10.697 3.403 ( 1.757 -1.371 3.094) 3.813 3.641 ( 1.819 -9.202 -2.011) 9.593 3.713 ( 1.389 6.147 3.391) 7.157 3.797 ( 0.205 0.144 -1.069) 1.098 3.923 ( -6.763 1.298 1.898) 7.144 4.018 ( -9.645 4.648 -2.399) 10.972 4.078 ( 1.384 5.792 1.495) 6.140 4.487 ( 9.490 6.694 -3.543) 12.142 4.548 ( -5.145 -5.152 0.836) 7.329 4.594 ( -0.358 -3.126 5.296) 6.161 4.747 ( -1.869 -2.306 -6.841) 7.457 4.798 ( -2.714 2.463 0.813) 3.754 4.852 ( -2.332 -7.753 -4.608) 9.316 4.875 ( 1.669 -3.698 2.815) 4.938 5.172 ( 10.874 -9.148 4.146) 14.802 5.398 ( 10.711 -3.281 -0.329) 11.207 5.502 ( 1.653 11.194 3.552) 11.860 5.866 ( 3.586 -2.286 -2.882) 5.138 6.037 ( -0.822 5.622 2.802) 6.336 6.088 ( 4.910 -1.316 2.083) 5.494 6.186 ( -0.979 -0.505 0.572) 1.241 6.288 ( -1.193 -0.127 -1.035) 1.585 6.502 ( 1.940 -4.089 -1.619) 4.807 6.562 ( 4.166 -0.877 -4.366) 6.098 6.918 ( 2.930 0.569 -1.315) 3.261 7.111 ( 0.838 6.469 2.258) 6.903 7.408 ( -1.081 0.268 -0.815) 1.380 7.474 ( -1.622 0.147 0.355) 1.666 7.743 ( -6.087 -4.598 0.540) 7.648 8.819 ( 0.247 1.938 -0.202) 1.964 8.941 ( 0.935 -1.029 3.122) 3.418 9.124 ( -5.343 -0.025 0.436) 5.361 9.374 ( 2.292 0.841 -1.153) 2.700 9.488 ( -12.151 -7.166 2.056) 14.255 9.618 ( -5.077 -2.315 -3.605) 6.644 9.768 ( -3.583 -0.034 1.822) 4.020 9.813 ( -7.315 -6.602 -1.339) 9.944 10.000 ( 5.477 7.173 0.088) 9.025 10.172 ( 8.340 0.504 -2.642) 8.763 10.306 ( 6.510 3.046 0.420) 7.200 10.648 ( 2.224 0.191 -0.612) 2.314 11.350 ( -6.329 -0.699 0.179) 6.370 11.432 ( -7.426 0.902 0.426) 7.493 11.691 ( -1.785 0.991 1.183) 2.360 11.794 ( -4.724 -0.649 0.907) 4.854 12.624 ( 10.354 -1.683 0.229) 10.492 12.998 ( -2.380 -7.300 0.318) 7.685 13.303 ( 1.516 -3.985 -0.401) 4.283 13.393 ( -4.707 -7.595 0.660) 8.959 13.441 ( 0.646 5.357 -0.356) 5.408 13.759 ( -2.648 -0.639 -0.525) 2.774 13.836 ( 1.758 2.870 -0.697) 3.437 14.005 ( -0.868 -0.331 1.075) 1.421 14.334 ( 9.029 10.562 -2.274) 14.080 14.388 ( 4.701 6.281 0.645) 7.871 14.577 ( 10.209 4.948 0.473) 11.354 15.225 ( -3.039 -1.454 -0.595) 3.421 15.594 ( -1.709 -2.075 1.751) 3.208 15.666 ( -2.455 2.298 -0.537) 3.405 15.758 ( -0.307 2.617 2.124) 3.384 15.764 ( 4.498 3.742 -2.576) 6.393 16.661 ( -2.699 1.711 1.097) 3.379 16.688 ( 1.620 -1.161 -0.709) 2.115 16.719 ( -1.209 -1.156 -0.624) 1.785 16.918 ( -3.060 -1.583 -0.795) 3.536 19.151 ( 0.577 -2.405 2.248) 3.342 19.410 ( 0.719 -2.275 -1.160) 2.653 20.103 ( 1.929 3.793 -0.819) 4.333 20.569 ( 2.691 1.009 1.287) 3.149 21.089 ( -1.458 -0.526 0.578) 1.654 21.617 ( -0.893 -0.657 0.343) 1.160 23.091 ( -2.257 -1.629 3.790) 4.702 23.566 ( -1.287 -2.179 -2.387) 3.479 26.693 ( 0.560 0.998 -0.119) 1.151 26.813 ( -0.365 -0.813 -0.070) 0.894 29.072 ( 5.324 9.237 0.038) 10.662 29.817 ( 0.729 8.979 -0.677) 9.034 29.937 ( -10.612 -9.314 -1.805) 14.235 30.486 ( 4.730 -3.743 4.003) 7.239 30.811 ( 0.675 0.215 0.797) 1.066 30.904 ( -0.432 -3.355 0.481) 3.417 31.078 ( 2.085 2.078 10.495) 10.900 31.385 ( 10.220 11.574 -3.574) 15.849 32.175 ( -0.738 -1.636 0.544) 1.875 32.287 ( -0.075 0.866 -0.069) 0.872 32.586 ( -0.966 0.523 0.988) 1.477 33.069 ( -4.348 -3.112 -3.747) 6.529 33.485 ( 0.422 1.330 1.638) 2.151 33.997 ( 0.287 -1.445 0.672) 1.620 35.585 ( -2.807 -0.787 -5.506) 6.230 35.821 ( 3.503 1.750 3.011) 4.940 36.074 ( -0.574 0.012 0.692) 0.899 36.180 ( -1.245 -3.323 -9.257) 9.914 36.699 ( 0.077 -0.119 -2.388) 2.393 36.740 ( -1.166 0.693 2.953) 3.249 37.222 ( -0.791 3.399 4.362) 5.586 38.600 ( 0.233 -6.106 -1.827) 6.378 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.557 1.345 -0.809) 2.211 1.092 ( -6.462 1.661 0.765) 6.716 1.605 ( -17.915 23.236 6.099) 29.968 1.857 ( -20.094 12.941 -9.526) 25.729 2.156 ( -1.938 12.730 -5.493) 13.999 2.445 ( 13.828 -5.112 -1.416) 14.811 2.605 ( -1.172 -0.865 -8.717) 8.838 2.827 ( -5.619 6.107 6.058) 10.275 2.908 ( 2.397 4.266 -2.378) 5.441 3.183 ( -15.612 3.121 4.554) 16.560 3.334 ( 1.186 -7.189 3.142) 7.935 3.464 ( 3.463 -4.599 -4.242) 7.151 3.612 ( -13.578 2.177 -2.058) 13.904 3.707 ( -1.497 -7.646 2.935) 8.325 3.806 ( 7.643 4.587 4.816) 10.132 3.861 ( -0.538 7.856 -2.003) 8.125 3.999 ( 7.716 -7.019 2.354) 10.693 4.100 ( 6.769 -2.775 -6.190) 9.584 4.476 ( -5.338 -1.811 0.385) 5.650 4.535 ( -2.313 -1.489 -0.904) 2.895 4.606 ( 0.611 -5.005 0.647) 5.083 4.713 ( -1.149 0.144 1.549) 1.934 4.827 ( 4.231 -0.406 4.201) 5.976 4.910 ( 1.954 -3.252 -0.076) 3.794 5.010 ( 6.534 -5.694 1.094) 8.736 5.368 ( 0.563 -1.449 -1.258) 2.000 5.420 ( 2.611 7.676 4.510) 9.278 5.644 ( 12.210 -2.982 2.351) 12.787 5.867 ( -2.064 1.677 -1.449) 3.029 6.064 ( 3.378 -1.021 -2.458) 4.301 6.173 ( 2.728 -0.949 -0.384) 2.914 6.232 ( 7.912 -2.958 2.298) 8.754 6.270 ( -2.062 -2.943 0.369) 3.613 6.585 ( 4.293 -4.842 -5.585) 8.548 6.655 ( 4.979 -6.097 -4.722) 9.180 6.976 ( 4.238 2.552 6.387) 8.079 7.086 ( 4.288 5.925 0.179) 7.315 7.362 ( -0.141 2.872 -4.358) 5.221 7.484 ( -1.029 -4.629 0.058) 4.743 7.676 ( -7.830 -4.068 0.486) 8.837 8.801 ( -0.090 -0.294 0.091) 0.321 9.005 ( -4.738 1.531 1.758) 5.280 9.021 ( -2.175 -4.672 2.169) 5.591 9.349 ( -6.838 -2.387 -1.766) 7.455 9.426 ( -2.252 -1.604 1.108) 2.979 9.499 ( -7.348 0.841 -2.215) 7.720 9.732 ( -9.279 -8.482 -1.275) 12.636 9.792 ( 1.201 -4.745 0.681) 4.942 9.999 ( 2.813 6.556 0.561) 7.156 10.261 ( 5.434 1.284 -3.743) 6.722 10.378 ( 5.651 4.011 0.544) 6.952 10.669 ( 4.614 4.372 0.020) 6.356 11.244 ( -8.546 -2.011 0.411) 8.789 11.301 ( -7.723 -1.726 0.075) 7.914 11.655 ( -3.506 -0.682 1.208) 3.770 11.710 ( -6.574 0.130 1.945) 6.857 12.897 ( 15.287 -6.477 0.279) 16.605 13.067 ( 2.396 -5.701 0.448) 6.200 13.316 ( -3.687 -1.479 -0.123) 3.975 13.389 ( -2.881 0.112 0.322) 2.901 13.459 ( 6.010 -3.146 0.087) 6.784 13.703 ( -1.500 3.717 -0.259) 4.017 13.818 ( 0.308 2.257 -1.556) 2.758 13.999 ( -0.397 1.003 1.222) 1.630 14.334 ( 4.545 10.118 -2.459) 11.361 14.395 ( 1.627 4.643 1.475) 5.137 14.673 ( 7.966 8.363 -1.175) 11.609 15.132 ( -3.070 3.558 -0.099) 4.701 15.521 ( -4.978 5.023 0.646) 7.101 15.642 ( -0.173 -1.118 0.874) 1.430 15.735 ( 3.211 7.176 2.976) 8.406 15.778 ( -0.401 0.935 -1.262) 1.621 16.607 ( -1.619 2.627 0.881) 3.209 16.686 ( -2.282 -0.120 -0.569) 2.354 16.706 ( -0.592 -0.185 -0.769) 0.988 16.881 ( -4.713 -3.691 -0.687) 6.026 19.240 ( 3.367 -5.344 2.940) 6.967 19.461 ( 2.238 -3.937 -1.201) 4.685 20.087 ( 0.979 3.690 0.220) 3.824 20.596 ( 3.230 4.591 1.893) 5.924 21.075 ( -1.607 -0.977 0.716) 2.013 21.621 ( -0.039 -1.217 0.304) 1.255 23.091 ( -3.107 -2.103 3.792) 5.335 23.552 ( -1.628 -2.263 -1.393) 3.116 26.702 ( 1.208 -0.004 -0.107) 1.213 26.805 ( -0.889 0.220 -0.126) 0.925 29.083 ( 6.527 7.204 0.339) 9.727 29.681 ( -3.216 7.895 -0.645) 8.549 29.781 ( -13.278 1.106 -1.404) 13.398 30.645 ( 7.689 0.051 2.385) 8.050 30.819 ( 0.568 0.879 0.664) 1.239 30.957 ( 1.583 -3.800 2.737) 4.943 31.138 ( -1.772 2.370 16.429) 16.694 31.416 ( 10.857 13.734 1.046) 17.538 32.187 ( -0.876 -1.462 1.334) 2.164 32.265 ( -1.040 1.429 0.042) 1.768 32.554 ( -2.818 0.693 -0.734) 2.993 33.013 ( -4.947 -3.947 1.241) 6.449 33.479 ( -0.725 1.554 1.834) 2.511 34.042 ( 1.284 -2.927 1.518) 3.538 35.522 ( -1.994 -0.707 -4.641) 5.100 35.860 ( 1.593 1.974 2.317) 3.436 36.054 ( -2.460 -2.567 -6.113) 7.072 36.133 ( -1.771 -3.028 -6.387) 7.286 36.675 ( -2.356 0.420 2.024) 3.134 36.747 ( 0.565 -0.652 0.316) 0.918 37.164 ( 1.168 6.076 -7.996) 10.110 38.735 ( 5.096 -11.847 -0.739) 12.918 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -14.517 5.464 -4.143) 16.055 0.944 ( -6.960 8.546 -1.125) 11.079 1.148 ( -13.386 24.874 5.953) 28.868 1.337 ( -13.602 20.722 -3.099) 24.980 1.628 ( -14.190 32.008 -23.453) 42.141 2.562 ( 3.378 -0.783 3.918) 5.232 2.674 ( -4.679 9.235 9.902) 14.326 2.706 ( -1.832 5.026 -1.505) 5.557 2.860 ( -3.322 1.119 -0.591) 3.555 3.067 ( -3.244 3.110 -4.442) 6.319 3.312 ( -7.692 -2.367 3.485) 8.770 3.381 ( -2.369 -6.289 0.614) 6.748 3.471 ( -1.679 6.985 -1.681) 7.378 3.752 ( 1.581 5.804 -2.619) 6.561 3.899 ( 6.508 -12.254 1.652) 13.973 3.961 ( 8.726 -0.179 -1.205) 8.810 4.137 ( 1.486 -4.538 0.501) 4.801 4.283 ( 7.090 -9.001 0.200) 11.460 4.434 ( -4.072 -7.743 0.123) 8.750 4.555 ( -2.150 -5.655 3.808) 7.148 4.644 ( -3.516 -6.241 -0.251) 7.167 4.720 ( 5.129 7.097 1.698) 8.919 4.913 ( 5.691 3.592 -1.204) 6.836 5.008 ( 4.359 -4.417 1.930) 6.499 5.170 ( 4.241 -1.776 4.351) 6.330 5.352 ( 2.073 2.850 1.014) 3.667 5.383 ( -3.271 -1.669 -2.629) 4.516 5.810 ( -1.942 0.679 -0.570) 2.134 5.839 ( 6.319 -1.675 0.164) 6.539 6.032 ( -4.000 0.075 -2.334) 4.632 6.264 ( 4.661 -1.339 -1.402) 5.049 6.306 ( 4.479 -3.370 2.188) 6.017 6.466 ( 8.474 -8.614 3.091) 12.472 6.629 ( 0.217 -4.701 -7.048) 8.474 6.718 ( -5.489 -8.569 -4.320) 11.055 7.049 ( 7.900 5.637 1.581) 9.833 7.177 ( 7.613 1.575 4.456) 8.961 7.322 ( 4.577 3.535 -7.099) 9.156 7.476 ( -6.699 -3.879 1.024) 7.808 7.618 ( -4.283 -4.909 -0.548) 6.538 8.834 ( 0.678 -3.861 1.341) 4.144 8.917 ( -4.132 -2.329 -0.804) 4.811 9.028 ( -3.294 -1.380 -0.842) 3.669 9.240 ( -13.552 1.650 -0.178) 13.653 9.290 ( -1.685 0.702 -0.930) 2.049 9.471 ( 0.420 1.458 0.594) 1.630 9.705 ( -5.873 -9.424 0.817) 11.134 9.875 ( 2.384 -6.195 -2.072) 6.953 9.976 ( -0.251 2.908 2.021) 3.551 10.258 ( 0.580 5.071 -1.017) 5.204 10.407 ( 2.874 2.257 -2.344) 4.342 10.721 ( 7.412 6.251 0.743) 9.725 11.141 ( -6.701 -2.487 0.219) 7.151 11.238 ( -4.525 -4.726 -0.085) 6.544 11.616 ( -3.275 -2.222 0.526) 3.992 11.631 ( -3.993 0.842 2.588) 4.833 13.160 ( 7.079 -6.696 -0.175) 9.746 13.183 ( 5.942 -2.320 0.540) 6.402 13.267 ( -1.705 0.667 0.968) 2.071 13.346 ( -2.734 -0.062 0.245) 2.745 13.614 ( 7.701 -2.895 -0.605) 8.250 13.656 ( 2.615 4.706 0.096) 5.384 13.789 ( -1.010 1.051 -0.446) 1.525 13.974 ( -4.344 0.673 0.205) 4.400 14.200 ( -6.932 7.769 -1.666) 10.544 14.356 ( 0.020 6.862 2.009) 7.150 14.626 ( 3.402 13.657 -2.942) 14.379 15.149 ( 7.770 3.261 1.769) 8.611 15.396 ( -3.745 4.548 0.322) 5.900 15.649 ( -3.167 -3.123 -0.110) 4.449 15.727 ( -2.762 1.737 -0.414) 3.289 15.792 ( 13.176 10.966 8.375) 19.079 16.576 ( 0.258 2.362 1.060) 2.602 16.637 ( -2.962 -0.026 -2.099) 3.631 16.685 ( -0.964 0.263 -0.322) 1.050 16.807 ( -10.258 -4.247 -0.347) 11.108 19.382 ( 3.692 -7.113 1.967) 8.252 19.532 ( 1.524 -4.692 -0.845) 5.005 20.061 ( -0.021 3.489 0.744) 3.568 20.618 ( 5.047 6.350 3.307) 8.759 21.070 ( -0.959 -1.226 0.528) 1.644 21.646 ( 1.313 -1.346 0.453) 1.934 23.080 ( -3.786 -2.723 2.839) 5.460 23.550 ( -0.729 -2.363 -0.328) 2.495 26.727 ( 1.623 -0.414 -0.050) 1.676 26.782 ( -1.213 0.608 -0.130) 1.363 29.143 ( 9.321 6.411 0.249) 11.315 29.520 ( -13.352 4.636 0.400) 14.140 29.591 ( 2.884 7.332 -1.118) 7.958 30.723 ( 3.219 2.427 -0.132) 4.034 30.822 ( 0.548 0.823 0.388) 1.062 31.042 ( 4.389 0.734 0.388) 4.467 31.194 ( -6.259 -1.206 25.699) 26.477 31.479 ( 12.014 14.746 7.628) 20.493 32.183 ( -1.262 -0.032 0.595) 1.396 32.233 ( -1.066 1.641 0.834) 2.127 32.468 ( -6.442 -1.181 -3.317) 7.341 33.033 ( -0.735 -3.111 9.325) 9.858 33.455 ( -1.908 1.041 1.715) 2.768 34.102 ( 0.939 -3.254 1.185) 3.588 35.483 ( -0.651 -0.421 -2.452) 2.572 35.856 ( -2.700 -0.609 -1.131) 2.989 35.949 ( -6.126 -4.620 -15.616) 17.399 36.119 ( -0.164 -1.079 -1.258) 1.665 36.649 ( -2.605 0.479 4.547) 5.262 36.768 ( 0.899 -0.912 0.009) 1.280 37.046 ( 2.517 6.657 -18.516) 19.837 38.944 ( 4.613 -12.873 -0.624) 13.688 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 17.089 -0.000) 17.089 0.652 ( 0.000 29.064 -0.000) 29.064 0.711 ( 0.000 25.430 -0.000) 25.430 0.898 ( 0.000 43.882 -0.000) 43.882 1.212 ( 0.000 8.199 -0.000) 8.199 2.584 ( 0.000 4.789 -0.000) 4.789 2.590 ( 0.000 10.960 -0.000) 10.960 2.632 ( 0.000 2.867 -0.000) 2.867 2.772 ( -0.000 -0.204 0.000) 0.204 2.836 ( 0.000 13.775 -0.000) 13.775 3.310 ( 0.000 13.766 -0.000) 13.766 3.433 ( -0.000 -7.043 0.000) 7.043 3.506 ( -0.000 -20.097 0.000) 20.097 3.725 ( 0.000 0.655 -0.000) 0.655 4.002 ( 0.000 2.655 -0.000) 2.655 4.119 ( -0.000 -7.822 0.000) 7.822 4.183 ( -0.000 -8.441 0.000) 8.441 4.428 ( 0.000 1.231 -0.000) 1.231 4.481 ( -0.000 -9.191 0.000) 9.191 4.624 ( 0.000 0.684 -0.000) 0.684 4.633 ( -0.000 -6.839 0.000) 6.839 4.737 ( -0.000 -1.450 0.000) 1.450 4.917 ( 0.000 5.132 -0.000) 5.132 5.092 ( -0.000 -4.184 0.000) 4.184 5.159 ( 0.000 9.352 -0.000) 9.352 5.397 ( -0.000 -3.486 0.000) 3.486 5.415 ( -0.000 -8.808 0.000) 8.808 5.788 ( -0.000 -1.248 0.000) 1.248 5.891 ( -0.000 -0.346 0.000) 0.346 5.949 ( 0.000 4.461 -0.000) 4.461 6.367 ( -0.000 -4.147 0.000) 4.147 6.397 ( -0.000 -2.155 0.000) 2.155 6.564 ( -0.000 -0.070 0.000) 0.070 6.662 ( -0.000 -7.051 0.000) 7.051 6.680 ( -0.000 -5.184 0.000) 5.184 7.078 ( 0.000 3.550 -0.000) 3.550 7.250 ( 0.000 4.178 -0.000) 4.178 7.336 ( -0.000 -0.499 0.000) 0.499 7.435 ( -0.000 -2.802 0.000) 2.802 7.619 ( -0.000 -3.698 0.000) 3.698 8.896 ( -0.000 -3.537 0.000) 3.537 8.910 ( -0.000 -4.147 0.000) 4.147 8.961 ( 0.000 2.557 -0.000) 2.557 9.115 ( -0.000 -1.825 0.000) 1.825 9.264 ( 0.000 2.142 -0.000) 2.142 9.447 ( 0.000 3.504 -0.000) 3.504 9.720 ( -0.000 -5.652 0.000) 5.652 9.953 ( 0.000 1.945 -0.000) 1.945 9.969 ( -0.000 -7.873 0.000) 7.873 10.197 ( 0.000 5.810 -0.000) 5.810 10.403 ( 0.000 1.016 -0.000) 1.016 10.736 ( 0.000 5.764 -0.000) 5.764 11.100 ( -0.000 -1.046 0.000) 1.046 11.253 ( -0.000 -5.382 0.000) 5.382 11.598 ( 0.000 1.302 -0.000) 1.302 11.619 ( -0.000 -2.962 0.000) 2.962 13.221 ( 0.000 0.454 -0.000) 0.454 13.265 ( -0.000 -3.825 0.000) 3.825 13.285 ( 0.000 1.134 -0.000) 1.134 13.332 ( -0.000 -3.281 0.000) 3.281 13.658 ( 0.000 7.800 -0.000) 7.800 13.720 ( 0.000 1.702 -0.000) 1.702 13.763 ( -0.000 -0.067 0.000) 0.067 13.808 ( -0.000 -0.549 0.000) 0.549 14.120 ( 0.000 1.042 -0.000) 1.042 14.299 ( 0.000 5.219 -0.000) 5.219 14.486 ( 0.000 16.257 -0.000) 16.257 15.253 ( -0.000 -0.860 0.000) 0.860 15.322 ( 0.000 2.561 -0.000) 2.561 15.633 ( -0.000 -2.251 0.000) 2.251 15.681 ( 0.000 1.723 -0.000) 1.723 15.994 ( 0.000 1.615 -0.000) 1.615 16.572 ( -0.000 -1.288 0.000) 1.288 16.573 ( 0.000 2.249 -0.000) 2.249 16.654 ( 0.000 2.787 -0.000) 2.787 16.679 ( -0.000 -0.017 0.000) 0.017 19.491 ( -0.000 -6.074 0.000) 6.074 19.587 ( -0.000 -4.208 0.000) 4.208 20.027 ( 0.000 3.063 -0.000) 3.063 20.656 ( 0.000 2.706 -0.000) 2.706 21.075 ( -0.000 -1.020 0.000) 1.020 21.684 ( -0.000 -1.597 0.000) 1.597 23.075 ( -0.000 -2.347 0.000) 2.347 23.568 ( -0.000 -1.971 0.000) 1.971 26.751 ( -0.000 -0.002 0.000) 0.002 26.760 ( 0.000 0.129 -0.000) 0.129 29.191 ( 0.000 7.662 -0.000) 7.662 29.356 ( 0.000 0.595 -0.000) 0.595 29.607 ( 0.000 1.533 -0.000) 1.533 30.719 ( 0.000 2.404 -0.000) 2.404 30.823 ( 0.000 0.431 -0.000) 0.431 31.062 ( 0.000 1.952 -0.000) 1.952 31.262 ( -0.000 -3.668 0.000) 3.668 31.554 ( 0.000 9.720 -0.000) 9.720 32.171 ( 0.000 0.344 -0.000) 0.344 32.216 ( 0.000 1.360 -0.000) 1.360 32.370 ( -0.000 -0.694 0.000) 0.694 33.137 ( -0.000 -3.814 0.000) 3.814 33.427 ( 0.000 0.423 -0.000) 0.423 34.145 ( -0.000 -2.624 0.000) 2.624 35.479 ( -0.000 -0.104 0.000) 0.104 35.719 ( -0.000 -0.894 0.000) 0.894 35.873 ( 0.000 2.242 -0.000) 2.242 36.123 ( -0.000 -0.713 0.000) 0.713 36.643 ( -0.000 -0.019 0.000) 0.019 36.789 ( -0.000 -0.800 0.000) 0.800 36.904 ( 0.000 8.088 -0.000) 8.088 39.100 ( -0.000 -10.036 0.000) 10.036 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 2.048 0.000 1.433) 2.500 1.160 ( -2.960 -0.000 -2.595) 3.936 1.961 ( 14.045 0.000 7.586) 15.963 1.965 ( 11.497 0.000 -0.131) 11.498 2.293 ( 18.029 0.000 -0.665) 18.042 2.296 ( -15.681 -0.000 -6.090) 16.822 2.744 ( -2.335 -0.000 -4.184) 4.792 2.866 ( 1.398 0.000 -3.943) 4.183 3.102 ( -12.723 -0.000 18.119) 22.140 3.201 ( 0.980 0.000 5.125) 5.218 3.279 ( -8.876 -0.000 -0.365) 8.884 3.397 ( -4.340 -0.000 -4.850) 6.508 3.548 ( -4.541 -0.000 -0.198) 4.545 3.584 ( 12.688 0.000 3.690) 13.214 3.911 ( 0.999 0.000 -8.015) 8.078 3.995 ( 3.261 0.000 9.735) 10.267 4.213 ( 5.982 0.000 -1.708) 6.221 4.257 ( 4.398 0.000 -2.562) 5.090 4.265 ( 5.874 0.000 -9.667) 11.311 4.468 ( 3.347 0.000 1.780) 3.791 4.480 ( 0.853 0.000 -2.877) 3.000 4.664 ( -9.221 -0.000 4.140) 10.107 4.685 ( -3.681 -0.000 2.431) 4.411 4.932 ( -0.047 -0.000 -2.675) 2.676 4.947 ( -2.905 -0.000 2.577) 3.883 5.118 ( -17.783 -0.000 -5.498) 18.613 5.182 ( 4.977 0.000 2.021) 5.372 5.610 ( 7.677 0.000 -5.061) 9.195 5.875 ( -3.268 -0.000 -0.441) 3.297 5.948 ( 1.792 0.000 6.532) 6.773 6.018 ( 2.900 0.000 0.080) 2.901 6.288 ( -1.144 -0.000 1.833) 2.161 6.353 ( -1.182 -0.000 3.874) 4.050 6.439 ( -7.161 -0.000 2.003) 7.436 6.624 ( -2.896 -0.000 -6.729) 7.326 6.868 ( 6.563 0.000 -8.632) 10.843 7.249 ( -1.012 -0.000 1.970) 2.214 7.370 ( 1.863 0.000 5.523) 5.829 7.645 ( -5.037 -0.000 -1.707) 5.319 7.674 ( -6.103 -0.000 1.527) 6.291 8.818 ( -0.884 -0.000 1.155) 1.454 9.040 ( 3.387 0.000 -4.830) 5.900 9.073 ( -3.158 -0.000 5.907) 6.698 9.373 ( -0.767 -0.000 -3.192) 3.283 9.604 ( -10.532 -0.000 2.057) 10.731 9.679 ( -5.608 -0.000 -1.039) 5.703 9.736 ( -0.897 -0.000 -0.007) 0.897 9.834 ( -0.470 -0.000 1.352) 1.431 9.980 ( 3.543 0.000 0.006) 3.543 10.129 ( 6.491 0.000 -1.753) 6.724 10.309 ( -0.612 -0.000 0.594) 0.852 10.516 ( 7.994 0.000 -2.432) 8.356 11.425 ( -1.625 -0.000 0.290) 1.650 11.464 ( 1.728 0.000 0.838) 1.921 11.778 ( -0.535 -0.000 -1.214) 1.327 11.782 ( -0.367 -0.000 2.015) 2.048 12.795 ( -8.318 -0.000 -1.723) 8.494 12.804 ( -10.061 -0.000 1.717) 10.206 13.239 ( 0.416 0.000 2.068) 2.110 13.276 ( -2.370 -0.000 -1.616) 2.869 13.559 ( 1.254 0.000 0.164) 1.264 13.677 ( 1.044 0.000 -0.422) 1.126 13.884 ( 2.243 0.000 0.594) 2.320 13.951 ( 1.630 0.000 -0.926) 1.875 14.415 ( 1.143 0.000 -0.845) 1.421 14.428 ( -0.349 -0.000 1.128) 1.181 14.775 ( 10.975 0.000 -0.588) 10.991 14.846 ( 15.700 0.000 -0.777) 15.719 15.515 ( 4.993 0.000 2.352) 5.519 15.657 ( 4.603 0.000 -2.699) 5.336 15.728 ( -0.151 -0.000 1.417) 1.425 15.918 ( -1.372 -0.000 0.009) 1.372 16.633 ( 2.762 0.000 0.846) 2.889 16.664 ( -0.375 -0.000 -2.010) 2.045 16.732 ( -0.919 -0.000 1.205) 1.516 16.961 ( -2.562 -0.000 -2.334) 3.466 19.150 ( -4.255 -0.000 0.476) 4.281 19.409 ( -3.156 -0.000 -1.051) 3.327 20.168 ( 3.340 0.000 -4.127) 5.309 20.470 ( 4.620 0.000 2.644) 5.322 21.099 ( -0.910 -0.000 0.360) 0.979 21.628 ( -1.568 -0.000 0.620) 1.686 23.066 ( -2.445 -0.000 5.398) 5.926 23.552 ( -0.136 -0.000 -4.525) 4.527 26.753 ( -0.168 -0.000 0.911) 0.927 26.755 ( 0.381 0.000 -1.117) 1.180 29.362 ( 7.231 0.000 -5.869) 9.313 29.441 ( 9.799 0.000 6.064) 11.523 30.067 ( 4.626 0.000 3.071) 5.552 30.354 ( -13.670 -0.000 -3.120) 14.022 30.775 ( 3.772 0.000 3.096) 4.880 30.863 ( -0.049 -0.000 -0.787) 0.789 30.988 ( 5.308 0.000 7.042) 8.819 31.460 ( 11.335 0.000 -12.925) 17.191 32.168 ( -1.617 -0.000 -1.069) 1.939 32.285 ( 1.596 0.000 0.290) 1.622 32.596 ( -0.657 -0.000 2.513) 2.597 33.081 ( 0.506 0.000 -8.920) 8.935 33.479 ( 1.527 0.000 1.987) 2.506 34.010 ( -2.536 -0.000 -1.546) 2.970 35.656 ( -3.169 -0.000 -5.577) 6.414 35.755 ( 5.096 0.000 4.278) 6.654 36.082 ( -1.018 -0.000 2.614) 2.805 36.182 ( 1.353 0.000 -11.728) 11.806 36.697 ( 2.517 0.000 -3.990) 4.717 36.773 ( -0.760 -0.000 -1.185) 1.407 37.222 ( -7.423 -0.000 26.453) 27.475 38.651 ( -9.708 -0.000 -3.821) 10.433 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -2.952 1.172 -3.206) 4.513 1.131 ( 1.277 0.083 3.205) 3.451 1.861 ( -2.678 -3.323 -8.911) 9.881 2.151 ( 9.234 0.044 -1.172) 9.308 2.328 ( 1.560 9.409 5.353) 10.937 2.569 ( -6.155 3.412 0.899) 7.095 2.676 ( 13.659 -1.200 -0.408) 13.717 2.859 ( 4.446 -4.382 3.303) 7.062 2.996 ( -15.535 -9.600 11.255) 21.451 3.114 ( 2.714 11.328 -1.272) 11.718 3.239 ( -3.591 -0.059 -4.310) 5.610 3.366 ( -0.657 -4.233 -2.336) 4.880 3.439 ( -6.546 -5.192 -1.357) 8.465 3.781 ( 7.020 1.591 4.994) 8.761 3.844 ( -0.095 1.158 -9.660) 9.730 4.026 ( -6.659 5.599 0.101) 8.701 4.116 ( -4.034 8.488 -0.940) 9.445 4.204 ( 2.185 2.291 3.582) 4.780 4.333 ( -9.553 -11.160 1.751) 14.795 4.559 ( 8.994 -0.439 -1.883) 9.200 4.586 ( -2.624 1.393 1.849) 3.500 4.614 ( -0.492 -8.172 -2.989) 8.715 4.761 ( 8.234 -2.121 -0.365) 8.511 4.832 ( -9.770 0.097 1.791) 9.933 4.855 ( -4.638 2.026 -3.810) 6.335 5.044 ( 10.683 -2.802 4.224) 11.825 5.353 ( 11.552 -1.084 2.869) 11.952 5.663 ( 4.634 4.090 -3.535) 7.120 5.851 ( 1.503 0.073 -1.635) 2.222 6.038 ( 4.186 -1.403 2.876) 5.269 6.076 ( 0.657 -1.705 2.457) 3.062 6.243 ( -4.745 4.345 5.573) 8.512 6.308 ( -1.245 2.728 -3.249) 4.421 6.409 ( -1.181 -5.317 0.279) 5.454 6.544 ( -0.056 -0.749 -8.957) 8.988 6.946 ( 7.700 1.576 -3.275) 8.515 7.231 ( -0.875 3.424 3.365) 4.880 7.420 ( 0.907 1.315 1.884) 2.470 7.518 ( -3.596 3.753 0.269) 5.205 7.629 ( -6.183 -6.260 0.390) 8.808 8.834 ( 1.647 -0.662 2.092) 2.743 8.978 ( -3.130 5.018 0.129) 5.915 9.098 ( -3.751 -3.750 3.306) 6.250 9.375 ( 1.460 0.159 -4.326) 4.569 9.430 ( -8.291 0.699 0.978) 8.378 9.547 ( -9.372 -3.783 -2.454) 10.400 9.686 ( -7.384 -4.242 -0.334) 8.523 9.777 ( -6.492 0.469 1.798) 6.752 10.092 ( 8.250 1.258 -0.374) 8.354 10.211 ( 7.715 3.072 -2.162) 8.581 10.356 ( 5.401 1.381 1.114) 5.684 10.613 ( 4.168 -2.371 -2.234) 5.290 11.350 ( -7.407 0.385 0.542) 7.437 11.449 ( -5.357 0.501 0.724) 5.429 11.721 ( -3.213 1.687 -0.348) 3.645 11.771 ( -4.670 -1.506 2.239) 5.393 12.658 ( 3.772 5.050 0.220) 6.307 12.812 ( -1.923 -9.564 0.125) 9.756 13.251 ( 0.537 -1.182 -1.280) 1.823 13.294 ( 1.965 -2.201 1.851) 3.483 13.552 ( 0.614 4.438 0.067) 4.480 13.710 ( 0.481 -3.103 -1.193) 3.359 13.911 ( 2.066 3.775 0.104) 4.305 13.976 ( 0.855 -2.469 0.207) 2.621 14.423 ( 2.812 2.428 -0.209) 3.721 14.471 ( 4.110 0.121 -0.591) 4.154 14.816 ( 10.937 14.278 0.056) 17.985 15.115 ( 4.611 -8.804 -0.750) 9.967 15.569 ( -0.386 0.304 2.314) 2.366 15.692 ( 0.339 -1.293 -1.658) 2.130 15.749 ( 2.372 1.083 0.789) 2.725 15.889 ( 1.770 3.782 -0.585) 4.216 16.650 ( -0.464 -1.212 -0.945) 1.606 16.675 ( 0.632 -1.037 0.547) 1.332 16.711 ( -1.350 0.657 -0.171) 1.511 16.899 ( -3.930 -0.410 -1.256) 4.146 19.117 ( -1.485 -0.866 2.464) 3.004 19.373 ( -0.694 -1.109 -1.769) 2.200 20.181 ( 2.856 2.826 -2.490) 4.727 20.569 ( 5.018 -0.508 2.144) 5.481 21.081 ( -1.912 -0.264 0.692) 2.050 21.608 ( -1.501 -0.276 0.692) 1.676 23.058 ( -3.817 -1.126 5.794) 7.029 23.523 ( -0.909 -1.498 -4.465) 4.797 26.730 ( 0.339 2.424 -0.129) 2.451 26.780 ( -0.027 -2.295 -0.085) 2.296 29.321 ( 5.474 14.246 -2.228) 15.423 29.666 ( -1.073 -14.844 -0.185) 14.884 30.040 ( -3.984 11.437 -0.272) 12.114 30.317 ( 5.301 -11.143 5.058) 13.336 30.820 ( 1.324 0.444 0.947) 1.687 30.864 ( -0.016 -0.683 -0.359) 0.772 31.147 ( 7.058 2.744 10.047) 12.582 31.558 ( 11.397 4.700 -5.899) 13.667 32.142 ( -1.542 -1.153 -0.413) 1.970 32.302 ( 0.514 0.523 0.265) 0.780 32.601 ( -0.416 0.696 3.060) 3.165 33.003 ( -5.040 -2.413 -7.757) 9.560 33.507 ( 0.915 0.640 1.175) 1.621 33.977 ( -0.916 -0.505 -0.073) 1.048 35.576 ( -2.517 -0.215 -5.768) 6.297 35.848 ( 4.369 0.780 2.047) 4.888 36.080 ( -1.164 0.689 0.675) 1.511 36.116 ( -1.295 -2.452 -11.396) 11.728 36.700 ( -0.012 0.161 -1.337) 1.346 36.753 ( -1.028 0.371 0.527) 1.213 37.281 ( -1.278 1.842 16.480) 16.631 38.509 ( -5.197 -2.491 -4.599) 7.373 ======================= Grid point 21 (15/93) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.035 1.127 -1.630) 1.982 1.124 ( -4.246 1.172 0.620) 4.449 1.920 ( -1.827 1.266 -0.793) 2.360 2.122 ( -4.915 16.815 8.314) 19.391 2.286 ( 10.186 6.023 0.540) 11.846 2.366 ( -0.622 1.546 -8.165) 8.334 2.788 ( -1.836 9.123 -4.889) 10.512 2.881 ( -6.032 -2.080 5.112) 8.176 3.052 ( -2.952 1.225 1.557) 3.555 3.112 ( 7.114 0.980 -2.327) 7.549 3.228 ( 8.609 -5.373 -0.357) 10.154 3.384 ( -2.363 -3.341 -0.965) 4.204 3.492 ( -1.254 -10.949 -3.548) 11.578 3.670 ( -13.179 3.193 2.301) 13.754 3.775 ( 1.771 -2.253 -10.695) 11.072 3.941 ( -1.901 4.476 5.762) 7.540 3.969 ( -0.413 4.657 -0.071) 4.675 4.266 ( -13.487 -13.630 3.860) 19.559 4.289 ( 8.962 9.701 3.890) 13.768 4.466 ( -8.404 -3.288 -3.116) 9.547 4.624 ( -2.320 1.538 -4.291) 5.115 4.702 ( 2.373 -1.072 0.390) 2.633 4.752 ( 3.196 -8.669 -3.079) 9.739 4.850 ( 4.970 1.129 8.035) 9.516 4.935 ( 5.730 -2.263 2.089) 6.505 5.271 ( 5.464 -4.177 4.567) 8.256 5.558 ( 10.318 -0.546 -0.314) 10.337 5.653 ( 4.155 6.195 -0.475) 7.475 5.888 ( 2.139 -0.112 -1.088) 2.403 6.059 ( -3.076 0.852 0.356) 3.211 6.131 ( 1.851 -3.942 1.710) 4.679 6.190 ( -0.502 0.521 3.145) 3.227 6.238 ( -2.457 0.316 -3.326) 4.147 6.472 ( 1.465 -6.587 -2.471) 7.186 6.551 ( 3.994 -3.435 -7.403) 9.085 7.034 ( 6.731 3.286 3.650) 8.332 7.210 ( 0.737 2.708 2.203) 3.568 7.407 ( 2.155 3.707 -1.809) 4.654 7.467 ( -0.084 1.450 -1.323) 1.965 7.592 ( -6.056 -3.800 0.702) 7.184 8.845 ( -1.623 4.379 -0.486) 4.695 8.938 ( -0.066 -3.177 4.646) 5.628 9.036 ( -7.161 0.780 2.608) 7.661 9.264 ( -7.175 -3.726 -1.312) 8.190 9.431 ( -2.944 -0.296 0.455) 2.994 9.472 ( 1.406 -4.148 -7.253) 8.473 9.573 ( -12.672 -4.046 0.075) 13.302 9.704 ( -4.268 -3.847 2.473) 6.255 10.145 ( 3.314 6.853 -0.081) 7.613 10.296 ( 7.684 2.004 -2.405) 8.298 10.437 ( 4.885 1.893 0.947) 5.324 10.686 ( 4.391 -2.429 -1.487) 5.233 11.214 ( -9.550 -0.963 0.703) 9.624 11.305 ( -9.616 1.883 0.335) 9.805 11.646 ( -4.751 -0.153 -0.455) 4.776 11.701 ( -6.754 -0.842 2.895) 7.397 12.805 ( 13.431 -2.207 0.298) 13.615 12.925 ( 4.863 -7.079 0.107) 8.589 13.273 ( 1.065 -1.230 -0.992) 1.906 13.377 ( 4.510 -1.504 1.607) 5.018 13.500 ( -0.544 4.662 0.098) 4.695 13.722 ( -0.905 -1.586 -1.237) 2.205 13.888 ( 0.970 3.962 -0.438) 4.103 14.011 ( 0.620 0.032 0.993) 1.171 14.451 ( 2.993 2.426 0.821) 3.939 14.501 ( 1.927 4.542 -2.181) 5.394 14.854 ( 7.835 8.750 -0.134) 11.745 15.156 ( -2.692 -0.672 0.230) 2.784 15.560 ( -1.976 -1.229 1.379) 2.705 15.660 ( -0.837 4.118 -0.606) 4.245 15.774 ( 0.406 0.257 0.537) 0.721 15.907 ( 6.724 6.221 -0.786) 9.194 16.642 ( -1.540 0.172 0.836) 1.760 16.667 ( -2.661 -1.316 -0.967) 3.123 16.703 ( 1.110 0.414 -0.596) 1.327 16.833 ( -4.289 -1.256 -1.201) 4.627 19.149 ( 0.727 -3.293 3.092) 4.576 19.387 ( 1.025 -2.983 -1.768) 3.616 20.175 ( 2.162 4.169 -1.157) 4.836 20.656 ( 4.918 1.620 1.694) 5.448 21.057 ( -2.160 -0.780 0.791) 2.428 21.599 ( -0.606 -0.825 0.557) 1.166 23.038 ( -5.081 -2.488 5.114) 7.626 23.500 ( -1.427 -2.486 -3.251) 4.334 26.719 ( 0.960 1.560 -0.093) 1.834 26.794 ( -0.569 -1.300 -0.126) 1.425 29.265 ( 4.946 10.333 -1.022) 11.501 29.669 ( -10.067 -6.856 -0.929) 12.215 29.874 ( -4.124 5.979 -2.319) 7.624 30.614 ( 13.644 -2.887 7.431) 15.803 30.837 ( 1.198 0.849 0.536) 1.563 30.880 ( 0.915 -2.470 1.093) 2.851 31.241 ( 2.551 5.840 9.316) 11.287 31.658 ( 12.218 9.124 -0.218) 15.251 32.142 ( -1.162 -2.579 0.861) 2.956 32.294 ( -0.452 1.299 0.037) 1.375 32.589 ( -1.766 2.851 0.804) 3.449 32.904 ( -6.669 -6.377 -3.517) 9.875 33.506 ( -0.598 1.085 0.568) 1.363 33.991 ( 0.545 -1.951 0.887) 2.211 35.513 ( -1.458 -0.216 -4.665) 4.892 35.897 ( 1.765 1.656 0.160) 2.425 35.993 ( -3.720 -2.854 -13.207) 14.015 36.098 ( -0.785 -0.762 0.955) 1.453 36.680 ( -1.512 0.203 -0.074) 1.527 36.744 ( -0.643 -0.006 1.493) 1.626 37.313 ( 1.177 7.268 6.671) 9.935 38.507 ( 0.184 -9.675 -2.656) 10.035 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -6.562 5.791 -2.515) 9.106 1.025 ( -1.210 2.010 0.243) 2.358 1.660 ( -6.610 24.611 1.867) 25.552 1.827 ( -6.914 24.423 5.378) 25.946 2.240 ( -4.667 24.435 -10.680) 27.072 2.551 ( 4.967 -1.253 -10.784) 11.939 2.601 ( 8.102 -6.916 2.017) 10.842 2.814 ( -8.629 3.642 8.179) 12.434 3.016 ( 0.884 5.589 2.796) 6.311 3.137 ( 2.946 8.460 0.787) 8.993 3.270 ( -2.991 -1.490 -4.119) 5.304 3.401 ( -3.660 -1.559 -0.964) 4.093 3.453 ( 2.265 -1.848 -5.313) 6.064 3.622 ( -2.211 -11.042 4.353) 12.073 3.879 ( -3.398 -1.825 1.932) 4.314 3.917 ( 3.215 -5.114 -2.613) 6.582 3.989 ( 3.310 -8.368 2.050) 9.229 4.200 ( -2.896 3.960 -2.606) 5.555 4.311 ( -2.375 -1.982 2.495) 3.974 4.439 ( -0.398 -4.885 1.262) 5.061 4.545 ( -2.760 -2.646 -2.726) 4.696 4.761 ( 2.882 -2.660 0.772) 3.997 4.905 ( 4.747 -6.569 -0.541) 8.123 4.978 ( 6.443 2.431 6.076) 9.184 5.060 ( 4.270 -4.864 2.936) 7.106 5.314 ( -3.573 -1.188 -1.568) 4.079 5.572 ( 2.261 11.131 0.909) 11.394 5.777 ( 6.982 -4.054 2.044) 8.328 5.854 ( -2.584 2.663 -0.997) 3.843 5.984 ( -6.090 -2.509 -3.022) 7.247 6.203 ( -0.209 -5.391 -0.332) 5.405 6.259 ( 5.141 -2.867 0.336) 5.896 6.272 ( 4.378 -6.936 2.444) 8.559 6.522 ( -1.526 -6.527 -3.418) 7.524 6.599 ( 0.932 -3.247 -4.785) 5.858 7.140 ( 5.103 2.870 8.044) 9.949 7.240 ( 3.734 0.600 1.290) 3.995 7.391 ( 4.620 4.177 -7.062) 9.416 7.463 ( 0.537 3.602 -1.360) 3.887 7.523 ( -5.493 -3.725 0.959) 6.706 8.797 ( -0.500 0.405 1.286) 1.438 8.897 ( -4.971 0.922 -0.790) 5.117 9.009 ( -0.512 -0.935 2.524) 2.740 9.247 ( -0.659 -3.082 -0.733) 3.236 9.296 ( -12.484 2.671 -0.661) 12.784 9.454 ( -3.949 -6.418 0.733) 7.571 9.523 ( 0.276 -5.237 -2.420) 5.775 9.734 ( -1.012 -6.656 0.395) 6.745 10.089 ( -0.514 7.162 0.502) 7.198 10.362 ( 5.526 4.519 -1.675) 7.332 10.457 ( 0.452 2.731 -0.261) 2.781 10.794 ( 7.171 -0.405 -0.297) 7.189 11.094 ( -7.673 -2.251 0.577) 8.017 11.164 ( -6.409 -1.091 0.047) 6.502 11.577 ( -4.090 -1.470 -0.403) 4.364 11.632 ( -4.430 -0.638 2.491) 5.122 13.038 ( 8.787 -4.925 -0.640) 10.094 13.085 ( 5.969 -5.710 0.892) 8.308 13.289 ( 1.922 1.800 -0.372) 2.659 13.404 ( -0.911 3.944 0.942) 4.156 13.542 ( 6.988 -2.986 0.329) 7.607 13.710 ( -0.917 -0.695 -0.910) 1.467 13.865 ( 2.422 5.598 0.099) 6.100 14.000 ( -1.648 1.432 0.009) 2.183 14.374 ( -6.547 8.383 -2.403) 10.905 14.459 ( -0.384 3.972 2.482) 4.700 14.853 ( 3.389 7.654 -2.056) 8.620 15.162 ( 3.270 -0.394 1.563) 3.645 15.521 ( -2.424 4.474 0.096) 5.090 15.606 ( -1.076 1.740 -0.332) 2.073 15.760 ( -1.248 1.355 0.091) 1.845 15.968 ( 9.061 6.671 2.169) 11.459 16.600 ( -3.056 -0.064 -2.037) 3.673 16.641 ( -1.324 0.262 1.333) 1.897 16.697 ( -0.240 1.279 -0.579) 1.425 16.769 ( -4.284 -0.618 -1.174) 4.485 19.239 ( 1.872 -6.424 2.138) 7.025 19.434 ( 0.867 -4.496 -1.127) 4.716 20.151 ( 1.136 4.804 -0.292) 4.945 20.712 ( 3.892 3.312 1.406) 5.300 21.042 ( -1.350 -1.331 0.550) 1.974 21.614 ( 0.602 -1.557 0.379) 1.712 23.013 ( -4.738 -3.408 3.293) 6.701 23.493 ( -0.942 -3.060 -1.498) 3.535 26.729 ( 1.673 0.564 0.008) 1.765 26.786 ( -1.289 -0.283 -0.167) 1.331 29.271 ( 7.037 6.104 -0.544) 9.331 29.538 ( -10.294 -1.217 -0.059) 10.366 29.742 ( -3.010 6.159 -1.408) 6.998 30.777 ( 3.998 2.635 1.141) 4.922 30.840 ( 0.213 0.895 -0.078) 0.923 31.023 ( 9.532 -2.282 4.607) 10.830 31.237 ( -2.635 5.061 8.519) 10.254 31.760 ( 12.415 12.534 4.045) 18.100 32.158 ( -1.252 -2.454 1.436) 3.107 32.268 ( -0.420 1.811 -0.005) 1.859 32.470 ( -7.771 1.546 -4.163) 8.950 32.922 ( -0.467 -7.578 3.288) 8.274 33.476 ( -1.843 1.077 0.079) 2.137 34.034 ( 0.697 -3.131 0.873) 3.324 35.479 ( -0.147 -0.045 -2.248) 2.253 35.815 ( -6.466 -1.892 -10.681) 12.629 35.939 ( 0.794 1.103 -2.529) 2.871 36.102 ( -0.164 -0.590 0.495) 0.787 36.654 ( -1.373 0.144 0.345) 1.423 36.751 ( -0.049 -0.834 1.180) 1.446 37.249 ( 0.924 11.847 -0.431) 11.891 38.652 ( 2.302 -15.053 -0.770) 15.247 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 11.687 -0.000) 11.687 0.977 ( 0.000 6.049 -0.000) 6.049 1.309 ( 0.000 30.825 -0.000) 30.825 1.573 ( 0.000 24.951 -0.000) 24.951 1.738 ( 0.000 38.332 -0.000) 38.332 2.640 ( -0.000 -1.220 0.000) 1.220 2.654 ( -0.000 -0.201 0.000) 0.201 2.743 ( 0.000 3.830 -0.000) 3.830 2.980 ( 0.000 11.826 -0.000) 11.826 3.052 ( 0.000 7.627 -0.000) 7.627 3.241 ( 0.000 0.745 -0.000) 0.745 3.302 ( -0.000 -3.472 0.000) 3.472 3.517 ( 0.000 1.496 -0.000) 1.496 3.806 ( 0.000 3.226 -0.000) 3.226 3.839 ( -0.000 -16.188 0.000) 16.188 3.972 ( -0.000 -9.408 0.000) 9.408 4.097 ( 0.000 6.732 -0.000) 6.732 4.198 ( -0.000 -17.934 0.000) 17.934 4.330 ( -0.000 -4.435 0.000) 4.435 4.494 ( -0.000 -5.855 0.000) 5.855 4.560 ( -0.000 -4.662 0.000) 4.662 4.814 ( 0.000 0.726 -0.000) 0.726 4.986 ( -0.000 -1.429 0.000) 1.429 5.041 ( 0.000 0.881 -0.000) 0.881 5.226 ( -0.000 -10.567 0.000) 10.567 5.227 ( 0.000 0.266 -0.000) 0.266 5.476 ( 0.000 12.007 -0.000) 12.007 5.797 ( 0.000 1.243 -0.000) 1.243 5.888 ( 0.000 0.242 -0.000) 0.242 5.935 ( -0.000 -5.284 0.000) 5.284 6.261 ( -0.000 -5.728 0.000) 5.728 6.354 ( -0.000 -1.993 0.000) 1.993 6.430 ( -0.000 -12.238 0.000) 12.238 6.550 ( -0.000 -7.088 0.000) 7.088 6.590 ( -0.000 -0.231 0.000) 0.231 7.180 ( 0.000 4.703 -0.000) 4.703 7.323 ( -0.000 -3.525 0.000) 3.525 7.358 ( 0.000 6.801 -0.000) 6.801 7.392 ( 0.000 1.794 -0.000) 1.794 7.531 ( -0.000 -4.247 0.000) 4.247 8.832 ( -0.000 -2.174 0.000) 2.174 8.840 ( -0.000 -1.814 0.000) 1.814 9.032 ( 0.000 4.179 -0.000) 4.179 9.095 ( -0.000 -0.200 0.000) 0.200 9.274 ( -0.000 -1.683 0.000) 1.683 9.483 ( -0.000 -0.898 0.000) 0.898 9.579 ( -0.000 -7.797 0.000) 7.797 9.800 ( -0.000 -8.058 0.000) 8.058 10.021 ( 0.000 5.148 -0.000) 5.148 10.336 ( 0.000 7.764 -0.000) 7.764 10.433 ( 0.000 1.529 -0.000) 1.529 10.851 ( 0.000 4.275 -0.000) 4.275 11.054 ( -0.000 -3.458 0.000) 3.458 11.141 ( -0.000 -4.694 0.000) 4.694 11.560 ( -0.000 -2.430 0.000) 2.430 11.609 ( -0.000 -0.244 0.000) 0.244 13.146 ( -0.000 -4.963 0.000) 4.963 13.206 ( -0.000 -6.024 0.000) 6.024 13.287 ( 0.000 3.164 -0.000) 3.164 13.358 ( 0.000 3.345 -0.000) 3.345 13.676 ( -0.000 -4.757 0.000) 4.757 13.695 ( -0.000 -1.024 0.000) 1.024 13.864 ( 0.000 7.951 -0.000) 7.951 13.898 ( 0.000 5.232 -0.000) 5.232 14.207 ( 0.000 7.132 -0.000) 7.132 14.409 ( 0.000 5.358 -0.000) 5.358 14.787 ( 0.000 11.212 -0.000) 11.212 15.225 ( -0.000 -1.801 0.000) 1.801 15.427 ( 0.000 7.739 -0.000) 7.739 15.589 ( -0.000 -1.320 0.000) 1.320 15.725 ( 0.000 2.334 -0.000) 2.334 16.042 ( 0.000 2.949 -0.000) 2.949 16.550 ( -0.000 -0.683 0.000) 0.683 16.626 ( 0.000 2.358 -0.000) 2.358 16.682 ( 0.000 0.699 -0.000) 0.699 16.707 ( 0.000 2.054 -0.000) 2.054 19.341 ( -0.000 -8.034 0.000) 8.034 19.486 ( -0.000 -5.229 0.000) 5.229 20.110 ( 0.000 4.865 -0.000) 4.865 20.720 ( 0.000 3.295 -0.000) 3.295 21.048 ( -0.000 -1.548 0.000) 1.548 21.644 ( -0.000 -2.157 0.000) 2.157 23.014 ( -0.000 -3.413 0.000) 3.413 23.514 ( -0.000 -3.249 0.000) 3.249 26.752 ( 0.000 0.059 -0.000) 0.059 26.763 ( 0.000 0.171 -0.000) 0.171 29.350 ( 0.000 6.487 -0.000) 6.487 29.370 ( 0.000 0.783 -0.000) 0.783 29.663 ( 0.000 4.244 -0.000) 4.244 30.778 ( 0.000 3.073 -0.000) 3.073 30.834 ( 0.000 0.585 -0.000) 0.585 31.131 ( 0.000 5.040 -0.000) 5.040 31.205 ( -0.000 -2.158 0.000) 2.158 31.782 ( 0.000 12.558 -0.000) 12.558 32.166 ( -0.000 -1.179 0.000) 1.179 32.252 ( 0.000 2.103 -0.000) 2.103 32.354 ( -0.000 -0.702 0.000) 0.702 33.023 ( -0.000 -7.304 0.000) 7.304 33.443 ( 0.000 1.105 -0.000) 1.105 34.078 ( -0.000 -3.601 0.000) 3.601 35.477 ( -0.000 -0.074 0.000) 0.074 35.706 ( -0.000 -0.299 0.000) 0.299 35.921 ( 0.000 2.261 -0.000) 2.261 36.109 ( -0.000 -0.652 0.000) 0.652 36.643 ( 0.000 0.036 -0.000) 0.036 36.768 ( -0.000 -1.256 0.000) 1.256 37.122 ( 0.000 12.835 -0.000) 12.835 38.831 ( -0.000 -15.715 0.000) 15.715 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.263 0.000 -2.329) 2.344 1.134 ( -3.143 -0.000 0.844) 3.255 1.892 ( 15.973 0.000 -3.041) 16.260 2.276 ( 6.358 0.000 -0.160) 6.360 2.414 ( -9.461 -0.000 -1.653) 9.604 2.484 ( 0.665 0.000 0.154) 0.683 2.721 ( -13.081 -0.000 12.057) 17.790 2.899 ( 5.860 0.000 1.340) 6.011 2.994 ( 7.567 0.000 5.429) 9.313 3.189 ( -3.560 -0.000 -0.323) 3.574 3.198 ( 5.130 0.000 -8.619) 10.030 3.304 ( 2.098 0.000 -2.591) 3.334 3.400 ( 8.766 0.000 -1.541) 8.901 3.768 ( -4.734 -0.000 -13.790) 14.580 3.806 ( -13.284 -0.000 5.279) 14.294 3.863 ( -16.427 -0.000 -0.941) 16.454 3.979 ( 3.474 0.000 0.688) 3.541 4.249 ( -5.107 -0.000 2.466) 5.671 4.401 ( 5.936 0.000 3.640) 6.963 4.434 ( -7.728 -0.000 -8.272) 11.320 4.491 ( 1.267 0.000 2.075) 2.431 4.685 ( 1.953 0.000 -0.776) 2.102 4.736 ( -2.061 -0.000 -2.133) 2.966 4.861 ( 3.414 0.000 12.685) 13.136 4.906 ( 7.124 0.000 0.407) 7.135 5.233 ( 7.713 0.000 4.909) 9.143 5.543 ( 10.258 0.000 1.062) 10.313 5.719 ( 4.138 0.000 -6.210) 7.463 5.878 ( 2.885 0.000 -1.526) 3.264 6.083 ( -0.009 -0.000 -0.073) 0.074 6.086 ( -1.344 -0.000 4.022) 4.240 6.185 ( -8.740 -0.000 5.366) 10.256 6.302 ( 0.279 0.000 -5.088) 5.095 6.348 ( 0.347 0.000 -2.616) 2.639 6.520 ( 4.653 0.000 -7.456) 8.789 7.077 ( 6.924 0.000 1.876) 7.173 7.219 ( -3.665 -0.000 3.740) 5.237 7.472 ( 1.688 0.000 -2.236) 2.801 7.490 ( -2.709 -0.000 0.546) 2.764 7.540 ( 1.017 0.000 0.256) 1.048 8.899 ( 4.613 0.000 4.567) 6.491 8.939 ( -4.260 -0.000 -2.974) 5.195 9.003 ( -8.104 -0.000 7.014) 10.718 9.285 ( -7.382 -0.000 -1.026) 7.453 9.310 ( -8.461 -0.000 -6.161) 10.467 9.470 ( 4.560 0.000 -2.095) 5.018 9.551 ( -7.607 -0.000 -0.044) 7.607 9.657 ( -8.550 -0.000 1.726) 8.722 10.234 ( 8.302 0.000 -1.415) 8.422 10.309 ( 1.307 0.000 1.321) 1.858 10.467 ( 8.765 0.000 -0.490) 8.778 10.635 ( 2.216 0.000 -2.105) 3.056 11.205 ( -10.645 -0.000 0.890) 10.682 11.333 ( -9.211 -0.000 0.167) 9.213 11.646 ( -5.361 -0.000 -1.916) 5.693 11.689 ( -6.902 -0.000 4.057) 8.006 12.809 ( 8.605 0.000 2.703) 9.020 12.823 ( 10.580 0.000 -2.352) 10.838 13.262 ( 3.133 0.000 -1.200) 3.355 13.362 ( 4.929 0.000 1.932) 5.294 13.565 ( -2.062 -0.000 0.240) 2.076 13.687 ( -0.471 -0.000 -1.381) 1.459 13.938 ( 0.399 0.000 -0.213) 0.453 14.005 ( 2.157 0.000 0.927) 2.348 14.474 ( 2.952 0.000 0.910) 3.089 14.545 ( 3.472 0.000 -2.431) 4.239 14.966 ( 0.615 0.000 -0.290) 0.679 15.132 ( 1.997 0.000 0.723) 2.123 15.549 ( -3.155 -0.000 2.342) 3.930 15.699 ( 2.698 0.000 -2.808) 3.894 15.784 ( 0.071 0.000 1.994) 1.996 15.974 ( 6.841 0.000 -1.662) 7.039 16.627 ( -0.471 -0.000 -0.116) 0.485 16.660 ( -2.438 -0.000 -0.563) 2.502 16.712 ( 1.195 0.000 -0.003) 1.195 16.821 ( -4.325 -0.000 -1.171) 4.480 19.115 ( -0.382 -0.000 3.199) 3.221 19.355 ( 0.696 0.000 -2.076) 2.189 20.222 ( 2.118 0.000 -1.727) 2.732 20.671 ( 5.823 0.000 1.766) 6.085 21.048 ( -2.370 -0.000 0.803) 2.502 21.590 ( -0.866 -0.000 0.696) 1.111 23.010 ( -5.577 -0.000 5.520) 7.847 23.471 ( -1.149 -0.000 -3.949) 4.113 26.756 ( -0.242 -0.000 0.579) 0.627 26.759 ( 0.631 0.000 -0.786) 1.008 29.465 ( 2.633 0.000 -5.060) 5.704 29.501 ( -6.062 -0.000 1.996) 6.382 29.942 ( -8.410 -0.000 -2.190) 8.690 30.574 ( 20.215 0.000 8.492) 21.926 30.848 ( 1.682 0.000 0.651) 1.803 30.857 ( -0.130 -0.000 -0.448) 0.466 31.310 ( 2.835 0.000 9.188) 9.616 31.754 ( 12.975 0.000 -1.149) 13.025 32.110 ( -1.383 -0.000 0.137) 1.390 32.309 ( -0.318 -0.000 0.349) 0.472 32.640 ( 1.552 0.000 4.827) 5.070 32.812 ( -10.523 -0.000 -8.134) 13.301 33.518 ( -0.468 -0.000 -0.071) 0.474 33.970 ( 0.202 0.000 0.584) 0.618 35.511 ( -1.273 -0.000 -4.671) 4.842 35.921 ( 3.349 0.000 -0.008) 3.349 35.957 ( -4.797 -0.000 -14.738) 15.499 36.091 ( -1.014 -0.000 3.031) 3.196 36.683 ( -1.840 -0.000 0.708) 1.971 36.743 ( -0.758 -0.000 0.395) 0.855 37.398 ( 2.586 0.000 11.822) 12.101 38.398 ( -2.590 -0.000 -4.588) 5.268 ======================= Grid point 30 (19/93) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.437 1.260 -1.010) 1.672 1.057 ( -3.949 1.427 -0.370) 4.215 2.093 ( 5.654 17.099 -2.210) 18.144 2.258 ( 0.140 14.920 7.176) 16.556 2.384 ( 12.176 -5.681 -7.494) 15.385 2.463 ( 4.011 1.425 2.378) 4.876 2.699 ( -7.900 -9.796 10.717) 16.530 2.832 ( -5.629 13.013 -6.714) 15.687 3.024 ( -4.923 0.840 -1.835) 5.321 3.155 ( -4.410 -11.398 1.339) 12.294 3.257 ( 7.437 -0.934 -6.873) 10.170 3.406 ( 2.373 6.695 0.878) 7.157 3.479 ( 1.532 3.982 3.000) 5.215 3.558 ( 3.447 -0.219 -4.077) 5.343 3.691 ( -7.715 -7.365 -1.785) 10.814 3.806 ( -2.257 -7.185 -1.811) 7.745 4.011 ( 0.345 2.682 1.619) 3.151 4.104 ( -7.938 0.036 3.734) 8.772 4.318 ( -1.182 -1.037 -3.372) 3.720 4.456 ( -0.769 -5.868 -2.775) 6.536 4.579 ( 2.850 9.490 1.999) 10.108 4.653 ( -1.070 -4.935 -0.976) 5.143 4.787 ( 4.098 -4.020 1.268) 5.879 4.994 ( 3.491 -0.927 0.278) 3.622 5.022 ( 5.283 0.142 9.253) 10.656 5.310 ( -0.698 0.454 3.380) 3.481 5.677 ( 5.329 -1.840 0.402) 5.653 5.741 ( 4.335 2.238 -3.974) 6.292 5.907 ( 0.573 0.442 -1.530) 1.693 5.968 ( -9.306 2.054 -1.351) 9.625 6.095 ( -0.230 -2.632 0.798) 2.760 6.136 ( -3.267 -4.522 3.455) 6.562 6.286 ( 4.394 2.880 -1.878) 5.580 6.385 ( 0.001 -6.321 -3.473) 7.213 6.558 ( 2.482 -1.085 -3.728) 4.609 7.176 ( 3.746 0.900 4.668) 6.052 7.206 ( -1.141 -1.707 2.573) 3.292 7.446 ( -0.274 -0.544 -2.608) 2.678 7.496 ( 1.728 2.041 -1.051) 2.874 7.560 ( 2.392 3.191 -1.086) 4.133 8.842 ( -2.329 3.393 0.241) 4.122 8.928 ( -6.590 -0.612 2.475) 7.066 9.009 ( 5.663 2.918 2.867) 6.986 9.181 ( -0.160 -1.822 -0.282) 1.851 9.255 ( -3.540 -9.348 -2.688) 10.351 9.373 ( -11.786 4.294 -0.942) 12.579 9.461 ( -5.633 -3.687 -0.938) 6.798 9.636 ( 2.102 -2.539 0.078) 3.297 10.243 ( -0.456 7.470 0.693) 7.516 10.373 ( 3.600 -3.615 -0.507) 5.126 10.558 ( 4.867 7.099 -0.662) 8.633 10.710 ( 5.346 -6.644 -0.978) 8.584 11.051 ( -9.243 -1.326 0.575) 9.355 11.190 ( -6.651 1.726 0.138) 6.873 11.558 ( -4.118 -0.432 -1.119) 4.289 11.615 ( -4.794 -0.695 2.634) 5.514 12.974 ( 8.612 -1.250 -0.525) 8.718 12.993 ( 7.401 -2.997 0.632) 8.010 13.324 ( 5.408 1.273 -0.656) 5.595 13.460 ( 4.372 0.484 1.312) 4.590 13.515 ( -1.002 0.916 0.334) 1.398 13.670 ( -2.275 -2.142 -0.961) 3.269 13.954 ( 2.951 2.595 0.761) 4.003 14.019 ( -0.256 0.309 -0.499) 0.640 14.499 ( -4.706 3.392 -3.306) 6.677 14.518 ( 1.133 1.613 3.003) 3.592 14.944 ( 0.155 1.955 -1.828) 2.681 15.157 ( 1.033 -0.065 2.363) 2.580 15.525 ( -1.668 -0.686 0.690) 1.932 15.709 ( 1.800 3.562 -1.880) 4.411 15.780 ( -1.017 0.725 1.431) 1.899 16.063 ( 6.602 2.625 -0.914) 7.164 16.604 ( -3.204 0.595 -0.984) 3.405 16.633 ( 0.108 -0.657 0.949) 1.159 16.728 ( 0.972 1.166 -0.176) 1.528 16.756 ( -2.922 -0.700 -1.231) 3.247 19.144 ( 0.320 -2.547 2.179) 3.368 19.368 ( 0.844 -1.793 -1.351) 2.398 20.229 ( 1.167 2.284 -0.763) 2.676 20.756 ( 4.028 1.103 0.962) 4.285 21.022 ( -1.603 -0.579 0.543) 1.789 21.591 ( 0.098 -0.634 0.414) 0.764 22.960 ( -4.639 -1.513 3.383) 5.938 23.443 ( -0.858 -1.483 -2.125) 2.730 26.747 ( 0.636 1.081 0.077) 1.257 26.772 ( -0.327 -0.948 -0.214) 1.026 29.385 ( 0.342 5.052 -0.317) 5.074 29.486 ( -4.660 -3.585 -1.150) 5.991 29.826 ( -3.410 2.146 -1.600) 4.335 30.821 ( 3.289 1.491 1.564) 3.936 30.852 ( -0.166 0.145 -0.236) 0.322 30.981 ( 14.728 -1.308 4.125) 15.350 31.338 ( -2.845 3.458 5.840) 7.360 31.951 ( 14.223 5.393 2.003) 15.342 32.105 ( -1.185 -1.935 1.665) 2.814 32.298 ( -0.399 0.922 0.093) 1.008 32.535 ( -10.984 4.493 -5.738) 13.181 32.754 ( 0.236 -7.691 3.014) 8.264 33.495 ( -1.458 0.577 -0.762) 1.743 33.988 ( 0.520 -1.286 0.586) 1.506 35.479 ( 0.000 0.020 -2.237) 2.238 35.793 ( -5.251 -0.439 -10.644) 11.878 35.957 ( 1.572 0.494 -0.614) 1.758 36.094 ( -0.444 -0.180 1.530) 1.604 36.657 ( -1.603 0.108 0.662) 1.737 36.738 ( -0.469 -0.422 0.499) 0.804 37.461 ( 2.229 7.182 5.126) 9.101 38.396 ( -0.108 -8.300 -2.162) 8.577 ======================= Grid point 31 (20/93) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 5.812 -0.000) 5.812 1.042 ( 0.000 1.662 -0.000) 1.662 1.884 ( 0.000 24.366 -0.000) 24.366 2.080 ( 0.000 24.467 -0.000) 24.467 2.390 ( 0.000 22.702 -0.000) 22.702 2.598 ( -0.000 -4.152 0.000) 4.152 2.607 ( 0.000 2.249 -0.000) 2.249 2.736 ( -0.000 -1.549 0.000) 1.549 2.962 ( -0.000 -11.223 0.000) 11.223 3.246 ( -0.000 -3.332 0.000) 3.332 3.362 ( -0.000 -3.011 0.000) 3.011 3.380 ( 0.000 17.011 -0.000) 17.011 3.471 ( 0.000 7.584 -0.000) 7.584 3.523 ( -0.000 -11.775 0.000) 11.775 3.669 ( -0.000 -10.752 0.000) 10.752 3.852 ( -0.000 -8.401 0.000) 8.401 4.013 ( 0.000 3.321 -0.000) 3.321 4.117 ( -0.000 -10.297 0.000) 10.297 4.346 ( 0.000 0.704 -0.000) 0.704 4.459 ( -0.000 -4.418 0.000) 4.418 4.488 ( 0.000 10.515 -0.000) 10.515 4.719 ( -0.000 -8.683 0.000) 8.683 4.891 ( -0.000 -5.773 0.000) 5.773 5.036 ( -0.000 -2.118 0.000) 2.118 5.113 ( -0.000 -0.970 0.000) 0.970 5.272 ( 0.000 3.492 -0.000) 3.492 5.721 ( 0.000 10.210 -0.000) 10.210 5.791 ( -0.000 -6.870 0.000) 6.870 5.810 ( 0.000 0.127 -0.000) 0.127 5.903 ( 0.000 0.897 -0.000) 0.897 6.157 ( -0.000 -4.470 0.000) 4.470 6.183 ( -0.000 -9.852 0.000) 9.852 6.335 ( -0.000 -0.715 0.000) 0.715 6.414 ( -0.000 -5.778 0.000) 5.778 6.573 ( -0.000 -1.332 0.000) 1.332 7.226 ( 0.000 0.301 -0.000) 0.301 7.236 ( -0.000 -3.706 0.000) 3.706 7.444 ( -0.000 -0.747 0.000) 0.747 7.469 ( 0.000 4.121 -0.000) 4.121 7.532 ( 0.000 5.686 -0.000) 5.686 8.820 ( 0.000 0.823 -0.000) 0.823 8.849 ( 0.000 2.302 -0.000) 2.302 9.111 ( 0.000 2.129 -0.000) 2.129 9.114 ( 0.000 2.784 -0.000) 2.784 9.215 ( -0.000 -2.247 0.000) 2.247 9.386 ( -0.000 -8.232 0.000) 8.232 9.423 ( -0.000 -7.328 0.000) 7.328 9.685 ( -0.000 -3.037 0.000) 3.037 10.157 ( 0.000 7.848 -0.000) 7.848 10.435 ( -0.000 -1.994 0.000) 1.994 10.503 ( 0.000 8.707 -0.000) 8.707 10.842 ( -0.000 -5.273 0.000) 5.273 10.981 ( -0.000 -3.073 0.000) 3.073 11.115 ( 0.000 1.831 -0.000) 1.831 11.526 ( -0.000 -0.975 0.000) 0.975 11.593 ( -0.000 -1.087 0.000) 1.087 13.060 ( -0.000 -3.245 0.000) 3.245 13.098 ( -0.000 -4.163 0.000) 4.163 13.357 ( 0.000 3.454 -0.000) 3.454 13.429 ( 0.000 3.565 -0.000) 3.565 13.590 ( -0.000 -3.863 0.000) 3.863 13.656 ( -0.000 -2.506 0.000) 2.506 13.979 ( 0.000 3.530 -0.000) 3.530 13.981 ( 0.000 2.709 -0.000) 2.709 14.366 ( 0.000 7.227 -0.000) 7.227 14.505 ( 0.000 3.783 -0.000) 3.783 14.919 ( 0.000 2.981 -0.000) 2.981 15.190 ( -0.000 -1.407 0.000) 1.407 15.515 ( -0.000 -0.026 0.000) 0.026 15.659 ( 0.000 7.121 -0.000) 7.121 15.764 ( 0.000 1.357 -0.000) 1.357 16.101 ( 0.000 2.511 -0.000) 2.511 16.555 ( 0.000 1.273 -0.000) 1.273 16.643 ( -0.000 -0.196 0.000) 0.196 16.720 ( 0.000 2.267 -0.000) 2.267 16.727 ( -0.000 -0.109 0.000) 0.109 19.198 ( -0.000 -5.489 0.000) 5.489 19.396 ( -0.000 -3.335 0.000) 3.335 20.205 ( 0.000 3.914 -0.000) 3.914 20.777 ( 0.000 2.117 -0.000) 2.117 21.019 ( -0.000 -1.158 0.000) 1.158 21.606 ( -0.000 -1.439 0.000) 1.439 22.951 ( -0.000 -2.548 0.000) 2.548 23.450 ( -0.000 -2.648 0.000) 2.648 26.753 ( 0.000 0.087 -0.000) 0.087 26.766 ( 0.000 0.109 -0.000) 0.109 29.384 ( 0.000 0.514 -0.000) 0.514 29.429 ( 0.000 1.756 -0.000) 1.756 29.760 ( 0.000 4.346 -0.000) 4.346 30.829 ( 0.000 1.777 -0.000) 1.777 30.845 ( 0.000 0.448 -0.000) 0.448 31.172 ( -0.000 -1.083 0.000) 1.083 31.250 ( 0.000 5.791 -0.000) 5.791 32.038 ( 0.000 11.906 -0.000) 11.906 32.121 ( -0.000 -2.808 0.000) 2.808 32.290 ( 0.000 1.386 -0.000) 1.386 32.348 ( 0.000 0.058 -0.000) 0.058 32.856 ( -0.000 -8.504 0.000) 8.504 33.467 ( 0.000 1.110 -0.000) 1.110 34.014 ( -0.000 -2.490 0.000) 2.490 35.476 ( -0.000 -0.017 0.000) 0.017 35.706 ( 0.000 0.159 -0.000) 0.159 35.957 ( 0.000 1.276 -0.000) 1.276 36.099 ( -0.000 -0.333 0.000) 0.333 36.644 ( 0.000 0.098 -0.000) 0.098 36.743 ( -0.000 -1.011 0.000) 1.011 37.389 ( 0.000 12.448 -0.000) 12.448 38.513 ( -0.000 -14.435 0.000) 14.435 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 -0.000 0.000) 0.000 1.058 ( -0.000 -0.000 0.000) 0.000 2.184 ( -0.000 -0.000 0.000) 0.000 2.423 ( -0.000 -0.000 0.000) 0.000 2.522 ( -0.000 -0.000 0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.694 ( -0.000 -0.000 0.000) 0.000 2.707 ( -0.000 -0.000 0.000) 0.000 2.867 ( -0.000 -0.000 0.000) 0.000 3.083 ( -0.000 -0.000 0.000) 0.000 3.305 ( -0.000 -0.000 0.000) 0.000 3.379 ( -0.000 -0.000 0.000) 0.000 3.480 ( -0.000 -0.000 0.000) 0.000 3.630 ( -0.000 -0.000 0.000) 0.000 3.656 ( -0.000 -0.000 0.000) 0.000 3.829 ( -0.000 -0.000 0.000) 0.000 3.945 ( -0.000 -0.000 0.000) 0.000 4.043 ( -0.000 -0.000 0.000) 0.000 4.302 ( -0.000 -0.000 0.000) 0.000 4.409 ( -0.000 -0.000 0.000) 0.000 4.591 ( -0.000 -0.000 0.000) 0.000 4.720 ( 0.000 0.000 -0.000) 0.000 4.770 ( -0.000 -0.000 0.000) 0.000 5.010 ( -0.000 -0.000 0.000) 0.000 5.105 ( -0.000 -0.000 0.000) 0.000 5.320 ( -0.000 -0.000 0.000) 0.000 5.697 ( -0.000 -0.000 0.000) 0.000 5.812 ( -0.000 -0.000 0.000) 0.000 5.855 ( -0.000 -0.000 0.000) 0.000 5.908 ( -0.000 -0.000 0.000) 0.000 6.078 ( -0.000 -0.000 0.000) 0.000 6.097 ( -0.000 -0.000 0.000) 0.000 6.329 ( -0.000 -0.000 0.000) 0.000 6.349 ( -0.000 -0.000 0.000) 0.000 6.556 ( -0.000 -0.000 0.000) 0.000 7.196 ( -0.000 -0.000 0.000) 0.000 7.223 ( -0.000 -0.000 0.000) 0.000 7.434 ( -0.000 -0.000 0.000) 0.000 7.517 ( -0.000 -0.000 0.000) 0.000 7.601 ( -0.000 -0.000 0.000) 0.000 8.839 ( -0.000 -0.000 0.000) 0.000 8.886 ( -0.000 -0.000 0.000) 0.000 9.109 ( -0.000 -0.000 0.000) 0.000 9.185 ( -0.000 -0.000 0.000) 0.000 9.231 ( 0.000 0.000 -0.000) 0.000 9.247 ( -0.000 -0.000 0.000) 0.000 9.314 ( -0.000 -0.000 0.000) 0.000 9.658 ( -0.000 -0.000 0.000) 0.000 10.282 ( -0.000 -0.000 0.000) 0.000 10.374 ( -0.000 -0.000 0.000) 0.000 10.654 ( -0.000 -0.000 0.000) 0.000 10.719 ( 0.000 0.000 -0.000) 0.000 10.949 ( -0.000 -0.000 0.000) 0.000 11.144 ( -0.000 -0.000 0.000) 0.000 11.517 ( -0.000 -0.000 0.000) 0.000 11.579 ( -0.000 -0.000 0.000) 0.000 13.026 ( -0.000 -0.000 0.000) 0.000 13.054 ( -0.000 -0.000 0.000) 0.000 13.400 ( -0.000 -0.000 0.000) 0.000 13.485 ( -0.000 -0.000 0.000) 0.000 13.531 ( -0.000 -0.000 0.000) 0.000 13.621 ( -0.000 -0.000 0.000) 0.000 14.007 ( -0.000 -0.000 0.000) 0.000 14.013 ( -0.000 -0.000 0.000) 0.000 14.447 ( -0.000 -0.000 0.000) 0.000 14.546 ( -0.000 -0.000 0.000) 0.000 14.945 ( -0.000 -0.000 0.000) 0.000 15.175 ( -0.000 -0.000 0.000) 0.000 15.509 ( -0.000 -0.000 0.000) 0.000 15.739 ( -0.000 -0.000 0.000) 0.000 15.778 ( -0.000 -0.000 0.000) 0.000 16.128 ( -0.000 -0.000 0.000) 0.000 16.578 ( -0.000 -0.000 0.000) 0.000 16.639 ( -0.000 -0.000 0.000) 0.000 16.718 ( -0.000 -0.000 0.000) 0.000 16.746 ( -0.000 -0.000 0.000) 0.000 19.140 ( -0.000 -0.000 0.000) 0.000 19.362 ( -0.000 -0.000 0.000) 0.000 20.247 ( -0.000 -0.000 0.000) 0.000 20.799 ( -0.000 -0.000 0.000) 0.000 21.007 ( -0.000 -0.000 0.000) 0.000 21.591 ( -0.000 -0.000 0.000) 0.000 22.923 ( -0.000 -0.000 0.000) 0.000 23.421 ( -0.000 -0.000 0.000) 0.000 26.754 ( -0.000 -0.000 0.000) 0.000 26.767 ( -0.000 -0.000 0.000) 0.000 29.389 ( -0.000 -0.000 0.000) 0.000 29.443 ( -0.000 -0.000 0.000) 0.000 29.807 ( -0.000 -0.000 0.000) 0.000 30.847 ( -0.000 -0.000 0.000) 0.000 30.849 ( -0.000 -0.000 0.000) 0.000 31.161 ( -0.000 -0.000 0.000) 0.000 31.318 ( -0.000 -0.000 0.000) 0.000 32.085 ( -0.000 -0.000 0.000) 0.000 32.189 ( -0.000 -0.000 0.000) 0.000 32.300 ( -0.000 -0.000 0.000) 0.000 32.350 ( -0.000 -0.000 0.000) 0.000 32.747 ( -0.000 -0.000 0.000) 0.000 33.480 ( -0.000 -0.000 0.000) 0.000 33.987 ( -0.000 -0.000 0.000) 0.000 35.476 ( -0.000 -0.000 0.000) 0.000 35.708 ( -0.000 -0.000 0.000) 0.000 35.970 ( -0.000 -0.000 0.000) 0.000 36.095 ( -0.000 -0.000 0.000) 0.000 36.645 ( -0.000 -0.000 0.000) 0.000 36.732 ( -0.000 -0.000 0.000) 0.000 37.541 ( -0.000 -0.000 0.000) 0.000 38.340 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 20.019 0.000 10.839) 22.765 0.443 ( 4.808 0.000 17.933) 18.566 0.653 ( 32.180 0.000 16.979) 36.384 1.102 ( 3.132 0.000 51.216) 51.312 1.191 ( 1.666 0.000 5.725) 5.963 2.173 ( -9.683 -0.000 -19.400) 21.682 2.476 ( -4.351 -0.000 -16.321) 16.891 2.625 ( 4.453 0.000 2.112) 4.929 2.696 ( -0.719 -0.000 5.493) 5.540 2.877 ( 0.555 0.000 10.875) 10.889 3.130 ( 3.670 0.000 -1.363) 3.915 3.555 ( -5.297 -0.000 -2.669) 5.931 3.695 ( 5.587 0.000 -12.716) 13.889 3.831 ( -3.114 -0.000 13.223) 13.585 3.968 ( -6.335 -0.000 -0.204) 6.338 4.006 ( 10.801 0.000 -10.174) 14.838 4.119 ( -6.197 -0.000 8.317) 10.371 4.337 ( 0.875 0.000 -15.376) 15.401 4.578 ( 4.465 0.000 1.212) 4.627 4.629 ( -14.513 -0.000 3.233) 14.869 4.730 ( 0.649 0.000 -4.650) 4.695 4.779 ( -8.342 -0.000 12.494) 15.023 4.927 ( 4.174 0.000 -1.262) 4.361 5.009 ( 4.339 0.000 5.105) 6.700 5.275 ( -6.067 -0.000 8.335) 10.309 5.369 ( -1.217 -0.000 -2.235) 2.545 5.535 ( -4.248 -0.000 -4.608) 6.267 5.737 ( 4.283 0.000 -4.068) 5.907 5.824 ( 1.949 0.000 -8.154) 8.384 5.876 ( 7.041 0.000 -1.474) 7.194 6.410 ( -2.629 -0.000 -1.064) 2.836 6.424 ( -0.369 -0.000 2.365) 2.393 6.664 ( -0.736 -0.000 -5.826) 5.873 6.721 ( 3.086 0.000 -2.794) 4.163 6.933 ( -1.807 -0.000 5.863) 6.135 7.160 ( -1.597 -0.000 -3.049) 3.442 7.398 ( -2.609 -0.000 3.796) 4.606 7.455 ( 6.253 0.000 3.019) 6.944 7.668 ( 1.900 0.000 1.103) 2.197 7.784 ( 26.763 0.000 -0.474) 26.767 8.939 ( -0.111 -0.000 -0.826) 0.833 8.941 ( 1.016 0.000 -1.034) 1.450 9.086 ( 13.557 0.000 -1.122) 13.603 9.099 ( -1.493 -0.000 -0.577) 1.600 9.254 ( 1.339 0.000 1.984) 2.394 9.385 ( -0.827 -0.000 -1.001) 1.298 9.877 ( -19.231 -0.000 -1.384) 19.281 9.886 ( 5.410 0.000 -3.019) 6.196 10.127 ( 2.630 0.000 2.395) 3.558 10.139 ( -5.342 -0.000 3.182) 6.218 10.425 ( 1.311 0.000 2.781) 3.075 10.646 ( -1.379 -0.000 -2.070) 2.488 11.121 ( 0.956 0.000 1.185) 1.522 11.214 ( 0.401 0.000 -0.399) 0.566 11.571 ( 1.814 0.000 -0.535) 1.892 11.627 ( -1.469 -0.000 -2.272) 2.706 13.210 ( -0.249 -0.000 0.287) 0.380 13.257 ( -0.205 -0.000 -0.676) 0.706 13.327 ( -0.195 -0.000 -0.498) 0.534 13.355 ( 0.042 0.000 -1.647) 1.647 13.576 ( 3.955 0.000 0.757) 4.027 13.619 ( -27.957 -0.000 0.352) 27.959 13.732 ( 0.607 0.000 1.541) 1.657 13.841 ( -2.149 -0.000 -0.982) 2.363 14.166 ( 1.151 0.000 1.280) 1.721 14.228 ( 3.993 0.000 -0.362) 4.009 14.278 ( -2.445 -0.000 1.298) 2.768 14.359 ( -0.674 -0.000 -0.648) 0.934 15.334 ( -6.083 -0.000 0.965) 6.159 15.419 ( -0.213 -0.000 -0.898) 0.923 15.659 ( 0.244 0.000 0.013) 0.245 15.663 ( 0.017 0.000 -0.074) 0.076 16.523 ( -2.503 -0.000 -1.193) 2.773 16.591 ( 7.060 0.000 -2.238) 7.407 16.627 ( 3.107 0.000 2.143) 3.774 16.687 ( -3.938 -0.000 0.341) 3.953 19.564 ( -2.289 -0.000 0.642) 2.377 19.625 ( 2.142 0.000 -0.781) 2.280 20.051 ( -7.659 -0.000 1.932) 7.899 20.225 ( 2.262 0.000 -2.026) 3.037 21.396 ( -12.451 -0.000 2.374) 12.675 21.622 ( 1.303 0.000 -2.758) 3.050 23.155 ( -0.683 -0.000 5.060) 5.106 23.549 ( 0.354 0.000 -3.831) 3.847 26.752 ( 0.369 0.000 0.068) 0.375 26.758 ( -0.352 -0.000 -0.068) 0.359 28.902 ( 0.764 0.000 2.053) 2.191 29.085 ( -1.708 -0.000 -1.899) 2.554 29.453 ( -1.267 -0.000 1.182) 1.733 29.597 ( -16.969 -0.000 -2.138) 17.103 30.711 ( 0.662 0.000 1.551) 1.686 30.810 ( -0.191 -0.000 -0.808) 0.830 31.064 ( 0.807 0.000 2.008) 2.164 31.299 ( -1.630 -0.000 -3.047) 3.456 32.148 ( -0.209 -0.000 0.242) 0.320 32.177 ( 0.639 0.000 -0.401) 0.754 32.486 ( 10.085 0.000 -0.295) 10.089 32.506 ( 0.788 0.000 -1.078) 1.335 33.507 ( -1.415 -0.000 7.657) 7.787 34.108 ( 0.691 0.000 -6.140) 6.179 35.514 ( 1.146 0.000 3.239) 3.436 35.811 ( -0.397 -0.000 -3.236) 3.260 36.018 ( 17.383 0.000 1.163) 17.422 36.216 ( -3.484 -0.000 -2.549) 4.318 36.218 ( -1.365 -0.000 7.362) 7.487 36.743 ( 1.405 0.000 -5.211) 5.397 39.033 ( -4.895 -0.000 2.230) 5.379 39.192 ( 2.106 0.000 -1.324) 2.488 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.543 -8.065 -0.044) 14.913 0.873 ( 17.656 -2.478 -0.777) 17.846 1.165 ( 10.607 6.282 24.447) 27.380 1.351 ( 23.872 -4.569 14.128) 28.113 1.686 ( 14.572 -18.362 32.220) 39.845 2.105 ( 10.627 -8.842 -19.706) 24.072 2.311 ( -0.614 -0.179 -16.506) 16.518 2.759 ( 7.262 0.193 1.876) 7.503 2.813 ( 7.676 -4.477 -1.869) 9.081 2.999 ( 8.873 -2.448 4.584) 10.283 3.228 ( 2.401 -6.890 -2.295) 7.649 3.459 ( -0.205 6.838 -2.284) 7.212 3.579 ( -6.245 10.468 -1.960) 12.346 3.841 ( -2.679 1.143 7.882) 8.403 3.947 ( -0.773 -3.817 -5.694) 6.899 3.972 ( -5.666 -5.666 -1.735) 8.198 4.088 ( -5.384 2.204 4.287) 7.226 4.312 ( 8.498 -3.787 -16.353) 18.814 4.428 ( -12.652 4.015 6.467) 14.765 4.601 ( -3.152 0.185 1.764) 3.617 4.668 ( -2.358 4.844 6.836) 8.704 4.788 ( -2.403 -4.514 3.834) 6.392 4.919 ( -0.282 3.120 -3.397) 4.621 5.098 ( 0.347 -2.049 1.946) 2.847 5.161 ( -8.902 6.161 4.614) 11.768 5.328 ( -7.597 -1.774 -1.427) 7.931 5.387 ( -3.662 -0.678 -3.415) 5.053 5.752 ( -5.058 -0.522 -7.275) 8.876 5.828 ( 3.108 -4.985 -2.392) 6.343 5.988 ( 5.497 1.306 1.087) 5.754 6.357 ( -2.222 1.778 1.622) 3.275 6.374 ( -5.511 1.207 5.739) 8.047 6.596 ( -8.416 6.579 -3.622) 11.280 6.660 ( -2.922 -0.331 -6.345) 6.993 6.881 ( -3.499 2.031 0.542) 4.082 7.083 ( -1.898 1.635 -3.750) 4.509 7.297 ( -7.416 9.113 7.024) 13.689 7.480 ( -5.628 -0.533 0.074) 5.654 7.625 ( -6.627 14.677 5.677) 17.075 7.713 ( 3.226 2.866 0.091) 4.316 8.900 ( -0.806 4.624 -1.433) 4.908 8.940 ( 0.336 0.654 -1.190) 1.398 9.157 ( 2.454 1.202 -0.611) 2.800 9.210 ( 12.224 1.137 1.928) 12.427 9.307 ( 4.308 -0.317 1.921) 4.728 9.395 ( 1.689 -2.317 -2.769) 3.986 9.734 ( 0.475 1.633 -3.317) 3.728 9.927 ( -0.054 -0.403 -0.273) 0.489 10.068 ( -1.750 3.334 1.414) 4.023 10.165 ( 0.005 -2.749 2.427) 3.668 10.422 ( -7.070 -3.700 3.293) 8.632 10.600 ( -3.666 -1.767 -3.161) 5.153 11.201 ( 7.689 2.898 0.813) 8.257 11.287 ( 5.051 -1.040 -0.590) 5.191 11.593 ( 3.514 2.533 -0.078) 4.332 11.613 ( 2.430 0.786 -1.830) 3.142 13.186 ( -3.841 0.171 -0.661) 3.901 13.207 ( -2.170 -2.176 -0.394) 3.098 13.270 ( -4.024 5.088 -0.360) 6.497 13.374 ( 1.817 -2.316 -0.333) 2.963 13.621 ( 11.903 8.747 -0.665) 14.786 13.725 ( -4.192 4.669 0.931) 6.343 13.787 ( -0.845 -1.119 0.222) 1.420 13.965 ( 25.103 -9.093 -2.571) 26.822 14.040 ( -7.500 -2.290 -0.995) 7.905 14.181 ( -7.553 -8.005 0.441) 11.015 14.443 ( 5.341 -8.413 1.255) 10.044 14.585 ( 1.872 -27.595 -7.256) 28.594 15.341 ( 3.055 -0.907 -0.186) 3.192 15.387 ( -2.500 -3.243 -1.043) 4.226 15.689 ( 2.899 0.492 0.249) 2.951 15.734 ( 7.008 0.603 -0.202) 7.037 16.502 ( 0.132 -1.226 -1.135) 1.676 16.645 ( -0.258 -0.111 -1.764) 1.786 16.696 ( 2.979 -0.418 2.510) 3.918 16.757 ( 11.613 -0.625 -6.893) 13.519 19.465 ( -7.098 3.683 -0.690) 8.026 19.600 ( -2.250 2.117 -0.140) 3.092 20.021 ( -0.553 -1.305 1.699) 2.213 20.302 ( 3.516 -6.473 -2.977) 7.945 21.236 ( -7.645 2.533 8.450) 11.673 21.623 ( 1.186 0.812 -2.694) 3.054 23.162 ( -1.441 1.633 5.726) 6.126 23.529 ( 0.775 -0.004 -4.377) 4.445 26.743 ( -0.741 0.911 -0.119) 1.181 26.765 ( 0.487 -1.044 0.114) 1.158 28.997 ( -2.063 -4.163 -0.169) 4.650 29.225 ( 2.993 -20.375 -1.910) 20.682 29.539 ( 9.459 -1.044 2.392) 9.813 30.000 ( 42.243 -11.786 -25.342) 50.652 30.723 ( -1.127 -0.083 1.861) 2.177 30.793 ( -1.461 -1.021 -1.119) 2.105 31.064 ( -3.175 -0.320 3.015) 4.390 31.223 ( -6.046 -3.127 -3.944) 7.867 32.171 ( 1.942 -0.671 0.132) 2.059 32.193 ( 1.147 -0.528 -0.523) 1.366 32.517 ( 2.761 0.856 -0.674) 2.968 32.663 ( 11.489 -3.475 -8.785) 14.874 33.529 ( -2.052 0.063 8.477) 8.722 34.065 ( -0.088 1.179 -6.929) 7.029 35.566 ( 2.390 0.185 4.390) 5.002 35.779 ( -1.094 -0.565 -4.385) 4.555 36.144 ( -1.901 -0.518 -3.632) 4.132 36.184 ( 1.639 0.223 3.184) 3.588 36.307 ( 7.967 -2.517 -2.121) 8.620 36.733 ( 1.685 0.118 -5.645) 5.892 38.469 ( -36.965 23.321 30.681) 53.401 39.122 ( -5.709 5.973 -2.170) 8.543 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 5.884 -7.265 -7.105) 11.742 1.038 ( 7.273 2.114 -0.327) 7.581 1.460 ( 15.188 1.051 17.145) 22.929 1.922 ( 16.401 -10.382 12.278) 22.968 1.993 ( 3.289 -4.190 -3.246) 6.238 2.341 ( 17.558 -10.924 -12.916) 24.381 2.465 ( 12.385 -6.050 7.575) 15.728 2.815 ( -4.938 0.745 -14.123) 14.980 2.974 ( 15.267 -4.795 5.181) 16.820 3.132 ( -0.830 6.684 -1.196) 6.841 3.230 ( 5.479 -5.144 -0.742) 7.552 3.404 ( 0.482 6.115 -1.891) 6.419 3.513 ( 0.807 -4.564 2.777) 5.403 3.813 ( -8.335 -0.501 7.368) 11.136 3.863 ( -6.067 -2.361 7.727) 10.104 3.933 ( 0.990 9.768 -1.009) 9.870 4.123 ( 4.081 -8.555 -5.949) 11.191 4.226 ( -9.220 7.123 6.902) 13.542 4.395 ( 5.900 -5.250 -11.993) 14.360 4.531 ( -7.765 -2.445 3.218) 8.754 4.622 ( -3.580 8.188 4.861) 10.173 4.766 ( -2.261 2.207 4.471) 5.475 4.894 ( -3.080 -3.850 -1.732) 5.225 4.963 ( -6.725 3.256 3.856) 8.408 5.063 ( -3.014 5.086 -1.202) 6.033 5.195 ( -6.443 -2.898 -0.569) 7.088 5.391 ( -2.604 -3.624 -4.821) 6.569 5.607 ( -7.135 -1.411 -1.822) 7.498 5.893 ( 1.173 -0.761 0.273) 1.425 6.040 ( 2.633 -1.029 -1.876) 3.393 6.236 ( -15.487 7.029 -3.478) 17.360 6.309 ( -3.245 1.470 4.566) 5.791 6.360 ( -2.259 4.626 2.125) 5.569 6.550 ( -5.162 1.231 -8.860) 10.327 6.812 ( -3.366 -3.324 -3.511) 5.891 7.014 ( -16.939 9.872 8.118) 21.220 7.059 ( 3.256 2.897 -0.824) 4.435 7.401 ( -1.918 -0.804 1.744) 2.715 7.596 ( 4.010 6.497 0.491) 7.650 7.741 ( 4.209 2.575 -0.038) 4.934 8.830 ( -0.412 4.132 -1.446) 4.397 8.940 ( 0.169 -1.101 -1.686) 2.021 9.127 ( 0.270 5.052 0.916) 5.142 9.378 ( 1.194 0.508 -2.738) 3.030 9.450 ( 9.227 0.497 1.100) 9.306 9.474 ( 13.160 -1.883 0.140) 13.295 9.721 ( 2.264 0.765 -4.499) 5.094 9.896 ( -4.645 -2.479 2.377) 5.777 10.044 ( 1.892 5.646 2.220) 6.356 10.217 ( -0.203 -4.856 -0.302) 4.869 10.327 ( -10.292 -3.192 2.045) 10.968 10.534 ( -4.641 -4.196 -2.907) 6.899 11.308 ( 7.945 2.740 1.330) 8.509 11.353 ( 4.713 2.011 0.368) 5.137 11.640 ( 3.673 2.035 -0.374) 4.216 11.681 ( 7.348 -0.500 -0.516) 7.383 13.029 ( -13.606 7.018 -0.778) 15.329 13.118 ( -3.890 1.015 -0.360) 4.036 13.264 ( 2.012 -3.157 0.662) 3.802 13.439 ( 1.498 -3.775 0.352) 4.077 13.557 ( -6.336 5.098 -0.648) 8.159 13.717 ( 12.357 11.425 -0.121) 16.830 13.822 ( 1.847 -0.492 1.926) 2.713 13.948 ( -1.827 -1.095 -1.488) 2.598 14.127 ( -11.537 -11.762 0.326) 16.478 14.322 ( 8.241 -1.345 0.199) 8.353 14.552 ( -2.543 -5.792 -0.379) 6.337 14.873 ( 7.705 -22.672 -2.189) 24.046 15.414 ( 3.776 -3.834 -0.104) 5.383 15.446 ( 4.692 -4.787 -1.343) 6.836 15.727 ( 2.077 1.218 0.654) 2.495 15.816 ( 4.459 2.348 -0.039) 5.040 16.534 ( 2.627 -1.428 -0.891) 3.120 16.651 ( 1.443 -1.725 -1.637) 2.782 16.749 ( 1.355 0.444 2.404) 2.795 16.867 ( 6.559 -0.416 -5.546) 8.600 19.295 ( -6.639 4.748 -1.368) 8.276 19.526 ( -3.791 2.207 -0.559) 4.422 20.043 ( 0.246 -1.408 1.238) 1.891 20.407 ( 3.670 -5.790 -2.618) 7.338 21.181 ( -3.389 1.757 7.325) 8.260 21.612 ( 1.312 1.675 -2.752) 3.479 23.155 ( -0.839 2.540 5.358) 5.989 23.529 ( 1.311 -1.894 -3.862) 4.497 26.717 ( -0.880 1.300 -0.153) 1.577 26.789 ( 0.651 -1.427 0.111) 1.572 28.989 ( -0.369 0.580 -0.187) 0.713 29.457 ( 3.786 -15.053 0.373) 15.526 29.821 ( 16.656 -3.680 8.653) 19.127 30.503 ( 27.624 -7.453 -23.267) 36.878 30.666 ( -6.184 1.775 0.706) 6.473 30.790 ( -0.725 -2.530 -0.312) 2.650 31.007 ( -4.605 0.911 1.596) 4.958 31.168 ( -4.665 -7.272 -1.218) 8.725 32.193 ( 0.418 0.194 0.003) 0.461 32.230 ( 2.088 -1.542 -0.004) 2.596 32.551 ( 2.504 0.367 -1.073) 2.748 32.815 ( 10.686 -3.496 -10.686) 15.511 33.546 ( -2.319 0.073 8.724) 9.027 34.003 ( -0.231 1.579 -6.874) 7.056 35.636 ( 2.979 0.569 4.631) 5.535 35.731 ( -2.243 -1.366 -5.533) 6.125 36.115 ( -0.637 -3.749 -6.160) 7.239 36.196 ( -2.664 0.246 6.444) 6.977 36.434 ( 8.024 -0.660 -4.840) 9.394 36.727 ( 1.928 -0.279 -5.661) 5.987 37.976 ( -24.957 16.538 31.856) 43.717 38.890 ( -9.465 8.458 -5.939) 14.014 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.033 -1.931 -3.382) 6.364 1.071 ( 0.877 1.573 -2.817) 3.344 1.775 ( 12.360 -0.018 -0.794) 12.386 1.853 ( 0.344 -0.242 -4.802) 4.821 2.462 ( 12.583 -8.240 9.198) 17.631 2.545 ( 2.860 0.343 -7.956) 8.462 2.622 ( 0.646 -1.904 -6.594) 6.894 2.690 ( 2.292 -13.415 8.536) 16.065 3.016 ( -8.629 3.409 1.537) 9.405 3.249 ( -0.002 8.371 0.131) 8.372 3.306 ( 5.591 2.445 -2.152) 6.470 3.415 ( 11.217 -1.545 1.309) 11.398 3.583 ( 0.206 -3.500 0.246) 3.515 3.659 ( -6.187 1.136 3.461) 7.180 3.853 ( -3.443 -3.635 4.334) 6.622 3.994 ( 1.211 8.009 -0.828) 8.142 4.018 ( -0.225 4.226 0.563) 4.269 4.200 ( 1.676 3.800 4.290) 5.971 4.438 ( -0.348 0.069 -4.168) 4.183 4.470 ( -3.833 -6.747 0.505) 7.776 4.585 ( 3.762 -6.778 -3.339) 8.441 4.722 ( -4.276 3.963 4.296) 7.242 4.864 ( -2.442 -2.949 3.430) 5.141 4.939 ( -2.122 -1.963 2.370) 3.738 5.030 ( 3.524 4.968 3.663) 7.108 5.156 ( -2.480 -7.562 -2.406) 8.314 5.220 ( -13.923 0.468 -5.545) 14.994 5.576 ( -1.780 2.073 6.086) 6.671 5.841 ( -5.716 2.317 -5.837) 8.492 5.962 ( -2.594 1.659 -1.730) 3.532 6.117 ( 3.180 -3.381 -4.057) 6.164 6.243 ( -3.546 9.278 4.631) 10.959 6.314 ( -1.331 0.306 1.041) 1.717 6.408 ( -3.245 0.640 -7.873) 8.539 6.764 ( -11.771 1.934 6.516) 13.592 6.820 ( 0.178 -6.252 -2.884) 6.887 7.083 ( 2.911 3.623 1.408) 4.856 7.401 ( 0.701 0.724 -1.507) 1.813 7.553 ( -0.771 5.715 0.787) 5.821 7.796 ( 3.858 1.147 0.285) 4.035 8.800 ( 0.934 1.555 -1.071) 2.106 8.915 ( -1.662 0.740 -1.296) 2.234 9.132 ( 3.825 1.264 -0.214) 4.034 9.345 ( -0.841 0.416 -3.201) 3.336 9.583 ( 10.166 4.577 -1.350) 11.230 9.655 ( 4.024 -1.532 0.452) 4.329 9.738 ( 5.686 0.773 -2.090) 6.107 9.893 ( -2.965 -4.676 2.833) 6.219 10.016 ( -1.697 4.583 4.356) 6.547 10.172 ( -9.745 -2.991 1.329) 10.280 10.232 ( -3.616 -0.629 -3.737) 5.238 10.550 ( 1.676 -6.089 -2.425) 6.765 11.402 ( 4.644 1.470 2.257) 5.369 11.429 ( 6.048 0.511 0.453) 6.086 11.669 ( 2.828 1.826 -0.468) 3.399 11.790 ( 5.024 -0.267 -0.048) 5.031 12.711 ( -14.013 7.037 -0.231) 15.682 13.067 ( -1.321 0.568 -0.196) 1.452 13.328 ( -0.891 -5.435 0.492) 5.529 13.407 ( -2.055 5.374 0.501) 5.775 13.522 ( 1.369 -2.559 -0.517) 2.948 13.781 ( 5.669 4.928 -0.399) 7.522 13.858 ( 6.740 7.509 -0.767) 10.120 13.971 ( 1.717 -2.905 0.594) 3.426 14.060 ( -11.961 -12.732 0.295) 17.472 14.356 ( -2.201 0.286 0.804) 2.361 14.523 ( -3.424 -1.571 -0.441) 3.793 15.159 ( 6.384 -9.565 -0.710) 11.522 15.527 ( 4.350 -4.585 -0.963) 6.393 15.579 ( 5.478 -4.895 0.231) 7.350 15.730 ( -0.252 2.197 0.995) 2.425 15.822 ( -0.296 2.863 0.738) 2.971 16.591 ( 3.291 -1.686 -1.290) 3.917 16.697 ( 1.843 -1.829 -0.838) 2.729 16.753 ( -1.036 1.487 2.033) 2.724 16.915 ( 2.842 -0.116 -3.247) 4.316 19.175 ( -2.215 2.960 -0.408) 3.719 19.443 ( -3.246 1.234 -1.148) 3.658 20.070 ( 0.005 -1.529 1.629) 2.234 20.489 ( 2.584 -2.827 -1.939) 4.293 21.169 ( -1.938 1.021 6.386) 6.751 21.601 ( 1.403 1.366 -3.005) 3.587 23.154 ( 0.068 2.815 5.003) 5.741 23.553 ( 0.829 -3.024 -2.917) 4.283 26.692 ( -0.587 0.879 -0.148) 1.068 26.811 ( 0.465 -0.977 0.012) 1.083 28.978 ( 0.066 0.895 0.226) 0.925 29.653 ( 5.694 -7.769 -0.180) 9.634 30.140 ( 7.030 -4.390 12.037) 14.614 30.519 ( -6.316 5.235 0.292) 8.208 30.777 ( 11.312 -0.242 -8.118) 13.925 30.815 ( 4.604 -4.413 -4.976) 8.089 30.951 ( -0.713 1.895 -0.015) 2.025 31.206 ( -2.046 -9.345 3.513) 10.191 32.197 ( -0.057 -0.283 1.039) 1.078 32.271 ( 1.140 -0.894 0.236) 1.468 32.570 ( 1.828 1.126 -1.599) 2.677 32.937 ( 7.339 -4.478 -10.587) 13.638 33.562 ( -2.199 0.257 8.578) 8.860 33.954 ( 0.930 0.765 -5.734) 5.859 35.644 ( -3.190 -0.945 -4.860) 5.889 35.725 ( 2.995 -0.007 2.108) 3.662 36.111 ( -0.142 -5.714 -9.983) 11.503 36.186 ( -3.202 1.111 8.337) 8.999 36.512 ( 5.351 0.808 -4.563) 7.078 36.734 ( 2.377 -0.682 -4.513) 5.146 37.680 ( -16.656 12.874 24.065) 31.973 38.644 ( -5.730 4.414 -8.064) 10.833 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.332 0.988 -5.114) 5.219 1.096 ( 3.799 -0.979 -0.607) 3.970 1.838 ( 10.530 -0.643 -3.588) 11.143 2.010 ( 4.474 -0.995 2.051) 5.022 2.356 ( -12.915 1.892 -7.090) 14.854 2.466 ( -15.033 4.926 -9.649) 18.529 2.679 ( 3.481 -1.407 1.150) 3.926 2.783 ( -7.643 -0.601 6.400) 9.987 3.044 ( -1.437 -2.633 1.801) 3.499 3.192 ( 9.401 -2.097 9.812) 13.749 3.360 ( 4.192 -0.983 1.416) 4.533 3.492 ( 3.680 2.145 3.181) 5.317 3.628 ( 4.335 -0.750 0.214) 4.404 3.678 ( -1.666 0.997 0.877) 2.130 3.825 ( 1.790 12.348 -5.011) 13.446 3.873 ( -1.683 -8.733 -3.396) 9.520 4.003 ( -4.915 5.066 -1.968) 7.328 4.211 ( 1.204 4.412 -1.607) 4.848 4.391 ( -10.910 -5.403 8.011) 14.574 4.532 ( 7.458 0.288 2.392) 7.837 4.626 ( -1.229 3.263 1.506) 3.798 4.707 ( 0.435 -6.498 -6.412) 9.140 4.899 ( -4.176 2.260 1.142) 4.884 4.936 ( -4.585 -0.836 1.451) 4.881 4.948 ( -0.916 -2.232 3.180) 3.992 5.150 ( 6.484 -5.822 3.584) 9.423 5.283 ( 7.910 -7.077 -1.973) 10.795 5.502 ( -4.405 9.542 6.235) 12.220 5.784 ( 3.573 -2.533 -3.920) 5.878 5.938 ( 0.309 1.653 -6.136) 6.362 6.108 ( -2.490 8.561 5.195) 10.319 6.164 ( 2.008 -0.800 -2.084) 3.003 6.305 ( 1.203 -0.786 -4.384) 4.614 6.357 ( -0.924 -2.047 -1.784) 2.868 6.673 ( -4.915 -2.586 3.728) 6.689 6.889 ( 1.726 -5.963 -0.422) 6.222 7.089 ( 0.790 3.003 2.092) 3.744 7.369 ( -0.728 2.522 -4.250) 4.995 7.510 ( -0.727 0.755 1.345) 1.705 7.828 ( 0.497 -0.094 0.544) 0.742 8.792 ( 0.041 0.543 -1.352) 1.458 8.917 ( 3.651 -0.401 -0.066) 3.674 9.158 ( -0.241 1.121 -0.806) 1.402 9.333 ( 0.619 -2.055 -2.327) 3.165 9.659 ( 7.095 4.932 -1.536) 8.776 9.665 ( -2.746 -2.541 -2.242) 4.361 9.801 ( -1.839 -0.583 -0.639) 2.032 9.916 ( -3.904 -4.649 5.104) 7.931 9.948 ( -2.133 3.186 3.099) 4.930 10.090 ( -1.980 0.560 0.425) 2.101 10.183 ( 2.094 -0.350 -4.499) 4.975 10.608 ( 1.082 -1.079 -1.773) 2.341 11.438 ( -1.337 -0.000 2.444) 2.786 11.494 ( 0.192 0.480 0.322) 0.609 11.693 ( 1.685 0.286 0.061) 1.710 11.834 ( 0.620 0.229 -0.119) 0.672 12.543 ( 0.321 -0.066 0.046) 0.331 13.057 ( 0.441 0.218 -0.060) 0.495 13.329 ( -0.243 0.951 0.289) 1.024 13.379 ( -0.474 -1.132 0.135) 1.234 13.548 ( 0.056 -0.444 -0.215) 0.496 13.786 ( -0.188 0.871 -1.119) 1.430 13.881 ( 1.735 2.607 -1.197) 3.353 13.981 ( -1.328 -1.160 -0.952) 2.004 14.055 ( -1.362 -2.658 2.379) 3.819 14.326 ( -0.256 0.568 0.810) 1.022 14.502 ( 0.362 -0.118 0.154) 0.411 15.247 ( -0.305 0.207 -1.250) 1.303 15.591 ( 1.705 2.080 -1.857) 3.268 15.672 ( -0.411 -0.606 -0.896) 1.157 15.721 ( 0.778 -3.563 2.192) 4.255 15.780 ( -1.837 2.104 1.954) 3.409 16.653 ( 2.683 -1.917 -1.059) 3.463 16.682 ( -2.082 2.424 -0.826) 3.301 16.749 ( -0.583 -0.425 1.465) 1.633 16.930 ( 0.746 -1.161 -2.265) 2.653 19.163 ( 2.236 0.185 1.068) 2.485 19.398 ( -0.440 -0.584 -1.846) 1.985 20.093 ( -0.659 -1.708 2.126) 2.806 20.519 ( 1.465 0.976 -1.744) 2.478 21.174 ( -1.815 -0.016 6.396) 6.649 21.594 ( 1.340 0.433 -3.326) 3.612 23.161 ( 0.677 3.302 5.046) 6.069 23.572 ( -0.351 -2.945 -2.435) 3.838 26.682 ( -0.028 -0.097 -0.146) 0.178 26.820 ( -0.052 -0.006 -0.064) 0.083 28.979 ( 0.274 0.001 0.566) 0.628 29.745 ( -0.299 0.217 -0.877) 0.951 30.232 ( -9.008 -4.645 8.995) 13.551 30.429 ( 3.669 7.110 1.551) 8.150 30.804 ( 0.761 0.834 -0.051) 1.130 30.910 ( 0.837 -1.157 -1.133) 1.822 30.980 ( 12.464 6.955 -5.533) 15.308 31.326 ( -0.982 -11.292 8.093) 13.927 32.214 ( 0.219 -0.534 2.405) 2.473 32.286 ( -0.122 -0.189 0.418) 0.475 32.570 ( 1.190 1.404 -1.603) 2.441 32.998 ( 2.538 -5.082 -10.722) 12.133 33.572 ( -2.318 1.100 7.803) 8.214 33.959 ( 3.165 -1.162 -3.900) 5.155 35.563 ( -3.368 -1.333 -6.319) 7.284 35.785 ( 2.944 0.679 2.118) 3.690 36.086 ( -1.736 -6.507 -14.403) 15.900 36.178 ( -2.822 1.541 9.007) 9.564 36.534 ( 2.932 2.309 -4.253) 5.658 36.756 ( 2.210 -0.518 -3.030) 3.786 37.460 ( -11.761 11.437 18.063) 24.401 38.562 ( 2.311 -3.041 -6.897) 7.884 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.087 -1.047 -3.593) 3.744 1.117 ( -0.386 1.229 -2.146) 2.503 1.733 ( -17.455 18.072 -5.852) 25.797 1.852 ( -17.046 19.674 -3.363) 26.248 2.142 ( -12.880 2.950 2.625) 13.472 2.315 ( 11.678 -12.987 -7.003) 18.817 2.646 ( -4.512 -2.436 2.158) 5.563 2.780 ( -0.694 -6.097 -3.298) 6.967 3.028 ( -6.322 -0.610 9.260) 11.229 3.349 ( 4.634 4.742 -0.672) 6.665 3.422 ( -7.181 3.135 -0.252) 7.840 3.556 ( -7.792 -0.132 -0.603) 7.816 3.609 ( 1.720 9.172 -2.072) 9.559 3.673 ( 4.781 -6.247 7.100) 10.597 3.758 ( 5.202 -2.911 -2.251) 6.372 3.918 ( 3.345 1.710 1.382) 4.003 3.941 ( -1.348 -10.087 1.486) 10.284 4.146 ( -0.747 7.862 -0.188) 7.900 4.309 ( -5.179 -3.849 3.043) 7.134 4.580 ( -2.676 3.239 1.283) 4.393 4.655 ( 2.223 -2.132 0.180) 3.086 4.757 ( 8.509 -3.793 -0.809) 9.351 4.838 ( 0.773 2.235 2.495) 3.437 4.922 ( 0.089 2.004 1.292) 2.386 5.056 ( 2.637 -5.750 4.403) 7.707 5.356 ( 8.089 -0.225 -0.094) 8.093 5.388 ( -2.386 3.797 3.797) 5.876 5.465 ( 11.052 -1.193 -1.528) 11.221 5.834 ( 2.788 4.273 -9.444) 10.734 5.873 ( 0.201 -2.217 -2.686) 3.488 6.107 ( 6.850 4.314 3.259) 8.726 6.209 ( 2.433 -1.722 3.804) 4.833 6.321 ( 4.761 0.701 -6.197) 7.847 6.370 ( -0.895 -5.470 -1.549) 5.755 6.677 ( -1.005 -4.561 -0.057) 4.670 6.993 ( 3.678 -2.990 4.853) 6.783 7.085 ( -0.744 -1.257 1.078) 1.815 7.274 ( -2.390 4.362 -5.734) 7.591 7.541 ( 0.649 -5.456 0.443) 5.512 7.818 ( -3.539 -1.450 0.858) 3.919 8.785 ( 0.393 -0.985 -1.355) 1.721 9.025 ( 6.721 -0.629 2.300) 7.131 9.092 ( -3.962 1.349 -1.745) 4.535 9.349 ( -0.567 -2.942 -3.829) 4.862 9.587 ( -7.788 -2.935 -2.968) 8.836 9.662 ( -14.613 -2.623 1.699) 14.944 9.722 ( 7.104 4.044 -1.819) 8.375 9.882 ( -2.367 1.414 1.795) 3.290 9.990 ( -0.095 -3.118 4.774) 5.703 10.098 ( 4.819 0.990 -2.629) 5.578 10.250 ( 7.332 1.100 -1.345) 7.535 10.576 ( -0.685 4.914 -1.458) 5.172 11.395 ( -5.927 -1.398 1.543) 6.282 11.428 ( -6.204 0.209 0.635) 6.240 11.710 ( -0.887 -1.450 0.205) 1.712 11.808 ( -3.322 0.750 0.579) 3.454 12.721 ( 14.508 -7.153 0.022) 16.176 13.077 ( 2.199 -0.295 -0.050) 2.219 13.318 ( 1.543 5.470 0.345) 5.694 13.407 ( 0.589 -5.061 0.533) 5.123 13.531 ( -1.436 0.745 -0.385) 1.663 13.763 ( -0.448 0.855 -0.902) 1.321 13.822 ( -11.170 -9.596 -0.572) 14.737 14.009 ( 7.753 7.153 -1.465) 10.650 14.043 ( 0.092 3.811 2.033) 4.321 14.343 ( 1.854 0.839 0.493) 2.093 14.531 ( 3.044 2.201 -0.262) 3.765 15.141 ( -5.947 7.777 -0.936) 9.834 15.516 ( -2.015 8.066 -0.763) 8.348 15.642 ( -2.351 0.027 0.326) 2.374 15.746 ( -1.193 0.423 2.553) 2.850 15.797 ( 0.031 -3.896 -0.400) 3.917 16.612 ( -2.211 2.241 -1.057) 3.321 16.687 ( 0.094 -0.499 -0.701) 0.866 16.732 ( -2.036 0.879 0.911) 2.398 16.947 ( -0.362 -4.315 -2.132) 4.826 19.246 ( 5.201 -2.649 1.617) 6.057 19.419 ( 2.790 -2.019 -2.429) 4.215 20.109 ( -1.497 -2.097 2.382) 3.509 20.499 ( 1.222 4.639 -2.121) 5.246 21.190 ( -2.283 -1.298 7.709) 8.144 21.595 ( 1.409 -0.574 -3.580) 3.890 23.169 ( 0.980 4.083 5.210) 6.691 23.572 ( -1.140 -2.576 -2.398) 3.700 26.692 ( 0.546 -1.056 -0.169) 1.201 26.809 ( -0.578 0.868 -0.019) 1.043 28.992 ( 0.523 -0.355 0.479) 0.793 29.635 ( -6.040 7.582 -0.547) 9.709 30.085 ( -17.162 0.869 7.265) 18.656 30.505 ( 9.528 2.641 0.192) 9.889 30.802 ( 0.819 1.877 -0.080) 2.049 30.926 ( 1.983 0.574 -0.056) 2.065 31.063 ( 12.776 11.113 -3.554) 17.302 31.490 ( -1.851 -14.058 10.209) 17.472 32.233 ( -0.398 0.165 2.399) 2.437 32.278 ( -1.078 0.571 0.694) 1.404 32.559 ( -0.287 0.904 -1.323) 1.628 32.995 ( -0.242 -5.220 -12.666) 13.701 33.557 ( -2.446 2.516 5.633) 6.637 34.020 ( 3.969 -2.675 -2.762) 5.526 35.496 ( -2.008 -1.001 -4.996) 5.477 35.827 ( 2.158 0.994 0.858) 2.526 35.998 ( -4.408 -6.103 -19.315) 20.730 36.176 ( -2.562 1.150 8.513) 8.964 36.506 ( 1.072 4.809 -3.898) 6.283 36.770 ( 1.322 -0.330 -3.194) 3.473 37.325 ( -7.284 7.025 21.676) 23.921 38.673 ( 8.690 -7.659 -5.900) 13.000 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -8.139 2.291 -9.386) 12.632 1.063 ( -14.517 5.069 1.303) 15.432 1.176 ( -7.474 16.459 -11.413) 21.378 1.324 ( -20.654 22.247 11.412) 32.431 1.684 ( -35.058 13.835 4.794) 37.992 2.539 ( 5.033 -10.975 -12.391) 17.301 2.652 ( -0.643 0.738 -1.952) 2.184 2.882 ( 3.040 -5.128 3.845) 7.094 2.909 ( -12.083 3.513 5.300) 13.654 3.099 ( -18.177 6.064 -0.255) 19.164 3.279 ( 2.130 14.375 -7.355) 16.287 3.481 ( -2.685 -4.525 -2.594) 5.867 3.625 ( 1.119 -5.071 3.074) 6.034 3.737 ( -7.872 -1.502 1.319) 8.121 3.850 ( 0.705 0.361 4.694) 4.760 3.917 ( 1.100 -7.116 4.985) 8.757 4.168 ( 6.651 -8.291 -1.210) 10.697 4.212 ( 14.533 0.714 7.874) 16.544 4.352 ( 6.778 -0.897 -4.388) 8.124 4.531 ( -1.270 4.315 2.405) 5.101 4.722 ( 4.833 0.249 1.888) 5.195 4.770 ( -3.395 -1.351 0.596) 3.702 4.901 ( -1.265 1.748 5.135) 5.570 5.029 ( 9.463 -1.322 3.193) 10.075 5.157 ( 2.660 -0.053 5.142) 5.790 5.347 ( 2.380 4.077 2.817) 5.497 5.413 ( -1.287 -4.543 -4.037) 6.212 5.659 ( 13.771 -0.185 -7.642) 15.750 5.819 ( 2.724 0.276 -0.903) 2.883 5.852 ( 2.425 2.533 -8.195) 8.914 6.208 ( 7.930 0.572 -3.782) 8.805 6.305 ( 0.531 -3.606 4.597) 5.867 6.375 ( 7.935 0.674 -5.641) 9.759 6.475 ( 8.638 -4.664 3.276) 10.349 6.727 ( 0.650 -6.227 -0.555) 6.285 7.019 ( -4.114 1.833 0.427) 4.524 7.169 ( 1.916 1.769 0.028) 2.608 7.190 ( 4.857 -3.330 -0.108) 5.890 7.611 ( -1.156 -6.901 -0.210) 7.001 7.751 ( -7.540 -1.880 1.183) 7.860 8.819 ( 2.658 -3.014 -1.843) 4.421 8.998 ( -3.578 0.462 -0.241) 3.616 9.138 ( 0.753 -1.288 2.659) 3.049 9.298 ( -5.545 -1.350 -5.058) 7.626 9.435 ( -10.930 0.102 -0.138) 10.931 9.489 ( -8.422 0.273 0.314) 8.432 9.759 ( 3.035 1.523 -3.390) 4.799 9.877 ( 1.729 -2.696 1.274) 3.447 10.054 ( -0.651 -4.498 3.556) 5.771 10.161 ( 5.241 0.929 -2.445) 5.857 10.322 ( 2.709 2.462 1.299) 3.884 10.531 ( 6.054 6.887 -1.478) 9.288 11.307 ( -8.324 -2.267 1.118) 8.699 11.348 ( -5.096 -1.857 0.267) 5.430 11.690 ( -3.375 -1.823 -0.216) 3.842 11.729 ( -5.593 1.087 0.873) 5.765 13.045 ( 14.051 -6.829 -0.477) 15.630 13.132 ( 4.021 -1.163 -0.163) 4.189 13.284 ( -0.129 3.063 1.159) 3.278 13.431 ( -1.153 3.521 0.183) 3.710 13.560 ( 4.046 -6.054 -0.640) 7.309 13.723 ( -11.102 -10.290 -0.047) 15.137 13.775 ( 0.039 -1.285 0.504) 1.381 13.991 ( -1.663 0.594 -0.353) 1.800 14.082 ( 11.023 10.717 -0.321) 15.377 14.334 ( -4.519 2.135 0.485) 5.021 14.488 ( -2.096 5.617 -1.345) 6.144 14.963 ( 1.193 16.008 -0.693) 16.067 15.400 ( -2.003 5.506 -0.233) 5.864 15.613 ( -0.117 2.114 -0.524) 2.181 15.736 ( -0.714 1.840 2.595) 3.260 15.797 ( -4.392 -3.475 -0.998) 5.689 16.566 ( -0.527 0.997 -0.473) 1.223 16.655 ( -3.117 0.762 -0.499) 3.247 16.692 ( -1.717 0.690 -0.992) 2.100 16.962 ( -3.709 -7.075 -3.919) 8.898 19.386 ( 6.164 -4.520 0.811) 7.687 19.486 ( 4.411 -2.129 -2.420) 5.464 20.117 ( -2.423 -3.068 2.319) 4.546 20.442 ( 1.873 7.971 -3.782) 9.019 21.233 ( -1.952 -3.517 10.675) 11.407 21.606 ( 1.779 -0.999 -3.632) 4.166 23.171 ( 0.813 4.780 4.948) 6.928 23.563 ( -0.860 -2.301 -2.654) 3.616 26.715 ( 0.884 -1.396 -0.199) 1.664 26.788 ( -0.805 1.107 0.102) 1.372 29.003 ( 1.370 1.731 -0.038) 2.208 29.442 ( -4.593 12.456 0.054) 13.276 29.804 ( -18.788 2.780 5.235) 19.701 30.624 ( 6.648 1.028 -0.245) 6.731 30.797 ( 1.424 2.105 -0.338) 2.564 30.964 ( 3.681 0.936 -0.005) 3.798 31.135 ( 13.207 10.699 -4.605) 17.610 31.649 ( -5.151 -16.479 3.670) 17.651 32.219 ( -2.069 0.612 1.354) 2.547 32.250 ( -1.365 1.971 0.750) 2.512 32.518 ( -3.591 -0.892 -2.627) 4.538 32.907 ( -2.877 -0.274 -25.974) 26.135 33.515 ( -2.347 3.203 3.105) 5.041 34.085 ( 2.891 -2.612 -3.416) 5.182 35.463 ( -0.074 -0.428 -1.884) 1.934 35.828 ( -6.777 -2.902 -17.624) 19.104 35.845 ( 0.982 1.145 -1.147) 1.895 36.179 ( -2.413 0.232 7.670) 8.044 36.424 ( -0.813 7.459 -2.369) 7.869 36.765 ( 0.704 -0.419 -4.388) 4.463 37.423 ( 1.307 -3.840 39.451) 39.659 38.883 ( 10.870 -8.149 -5.132) 14.522 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -20.268 11.272 -5.611) 23.861 0.593 ( -16.403 9.162 -5.625) 19.612 0.818 ( -30.447 12.955 8.321) 34.119 1.015 ( -23.458 15.593 27.069) 39.066 1.177 ( 1.420 6.719 7.938) 10.496 2.536 ( -9.463 -0.368 -9.496) 13.411 2.583 ( -7.579 -0.473 -10.938) 13.316 2.660 ( -6.801 4.788 0.513) 8.333 2.780 ( -3.806 3.010 -5.372) 7.239 2.887 ( -12.118 1.131 13.562) 18.223 3.148 ( 2.896 10.078 -4.208) 11.299 3.566 ( 1.609 -8.042 -1.682) 8.372 3.656 ( 0.737 -1.926 -1.472) 2.533 3.766 ( 2.210 -4.775 5.824) 7.849 3.887 ( 5.946 0.775 -5.095) 7.869 4.002 ( -2.730 -6.043 3.701) 7.594 4.240 ( -2.642 2.202 -3.257) 4.737 4.373 ( 1.477 4.272 -1.339) 4.714 4.459 ( 10.708 -0.464 -3.119) 11.162 4.629 ( 8.430 -4.307 12.644) 15.795 4.739 ( -1.566 -2.065 -2.225) 3.416 4.812 ( -4.852 -4.384 4.505) 7.940 4.906 ( 4.908 3.685 5.475) 8.225 5.006 ( -4.267 9.369 -2.633) 10.626 5.252 ( -0.292 -4.496 7.289) 8.569 5.382 ( 3.117 3.291 0.136) 4.535 5.478 ( 3.954 -7.326 -0.983) 8.383 5.757 ( 7.584 5.398 -12.240) 15.378 5.821 ( 2.446 1.312 -4.337) 5.149 5.869 ( 0.973 0.125 -0.641) 1.172 6.326 ( 9.114 -4.189 -6.583) 11.997 6.411 ( 6.426 1.245 -0.524) 6.566 6.512 ( 7.399 -15.629 6.295) 18.402 6.687 ( 6.899 -2.656 -3.813) 8.318 6.837 ( 7.007 -5.092 14.899) 17.234 6.919 ( -1.943 1.610 -1.190) 2.790 7.173 ( 3.026 0.759 0.136) 3.123 7.358 ( 8.692 2.976 6.119) 11.038 7.602 ( -8.333 -4.965 2.198) 9.946 7.668 ( -3.131 -1.223 -0.448) 3.391 8.894 ( 3.322 -3.324 -1.874) 5.059 8.965 ( -1.303 -0.942 -0.876) 1.831 9.056 ( -11.590 -2.644 2.228) 12.095 9.209 ( -6.125 2.736 1.147) 6.805 9.254 ( -5.145 0.514 -0.203) 5.174 9.411 ( -0.842 2.162 -0.870) 2.478 9.806 ( 6.468 -0.259 -4.015) 7.618 9.976 ( 0.419 -9.079 1.407) 9.197 10.074 ( -1.619 -2.434 -2.129) 3.616 10.189 ( -1.929 0.380 2.973) 3.565 10.352 ( 4.763 1.553 1.494) 5.228 10.602 ( 8.644 4.043 -0.827) 9.578 11.201 ( -8.446 -2.604 0.799) 8.875 11.284 ( -3.915 1.193 -0.743) 4.160 11.623 ( -5.641 0.617 -1.230) 5.806 11.659 ( -2.511 -1.500 -0.679) 3.003 13.178 ( 3.888 0.236 -0.512) 3.929 13.250 ( 3.137 1.223 -0.186) 3.372 13.298 ( 2.702 -3.504 -0.016) 4.424 13.371 ( -1.184 2.246 -0.553) 2.598 13.621 ( -10.128 -8.670 -0.532) 13.342 13.690 ( 2.045 -1.658 0.155) 2.637 13.837 ( 1.269 -3.883 1.158) 4.246 14.003 ( 4.018 -3.404 -0.470) 5.287 14.116 ( -16.753 -8.630 -2.468) 19.006 14.155 ( 8.534 12.575 -0.152) 15.198 14.409 ( -3.748 3.965 0.046) 5.457 14.780 ( 5.757 34.956 -10.235) 36.876 15.375 ( 1.650 -0.484 0.181) 1.729 15.553 ( -2.118 5.754 -8.064) 10.130 15.703 ( -3.541 0.954 0.211) 3.673 15.727 ( -5.647 -0.358 -0.366) 5.670 16.572 ( 1.337 -0.494 0.517) 1.516 16.585 ( -3.756 0.647 -0.976) 3.934 16.643 ( -2.305 0.523 -4.866) 5.410 16.856 ( -14.045 -4.448 -8.596) 17.057 19.522 ( 4.313 -3.881 0.516) 5.825 19.560 ( 4.013 -1.428 -1.697) 4.586 20.122 ( -4.230 -5.435 1.615) 7.074 20.334 ( 0.754 12.165 -7.840) 14.492 21.359 ( 1.267 -9.245 11.016) 14.437 21.623 ( 2.188 0.066 -3.581) 4.197 23.156 ( -0.316 4.166 3.956) 5.754 23.559 ( -0.011 -1.502 -3.123) 3.465 26.740 ( 0.815 -0.785 -0.145) 1.140 26.767 ( -0.659 0.570 0.130) 0.881 28.993 ( 4.619 9.804 -0.883) 10.874 29.244 ( -2.937 14.332 -0.821) 14.653 29.554 ( -11.645 0.932 2.417) 11.930 30.685 ( 2.612 1.049 0.632) 2.885 30.798 ( 0.718 1.835 -3.147) 3.713 31.001 ( -7.903 1.077 -17.470) 19.204 31.068 ( -15.471 11.453 -36.052) 40.868 31.407 ( -27.804 -5.346 -24.731) 37.593 32.186 ( -2.044 0.554 0.199) 2.127 32.189 ( -2.441 2.991 -1.233) 4.053 32.404 ( -5.602 -0.531 -3.143) 6.446 32.576 ( -1.514 11.528 -10.525) 15.683 33.487 ( -1.436 0.867 5.989) 6.219 34.116 ( 1.657 -1.430 -4.894) 5.361 35.483 ( 1.380 -0.048 1.976) 2.411 35.742 ( 4.993 -0.623 5.810) 7.686 35.838 ( 0.611 1.277 -1.712) 2.221 36.191 ( -2.210 -1.127 6.920) 7.352 36.315 ( -2.420 6.394 -0.757) 6.878 36.753 ( 0.918 -0.399 -4.871) 4.973 38.122 ( 32.796 -28.991 59.872) 74.167 39.088 ( 8.525 -5.355 -3.273) 10.586 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 11.603 0.000 -9.034) 14.705 1.090 ( 8.872 0.000 -2.830) 9.313 1.593 ( 11.691 0.000 20.311) 23.435 1.649 ( 14.905 0.000 26.647) 30.532 1.938 ( 4.467 0.000 -1.652) 4.763 2.245 ( 24.265 0.000 -16.696) 29.454 2.429 ( 22.365 0.000 1.773) 22.435 2.796 ( -1.495 -0.000 -26.815) 26.857 2.930 ( 11.651 0.000 5.607) 12.930 3.177 ( 9.227 0.000 7.752) 12.051 3.193 ( -0.341 -0.000 -2.149) 2.176 3.497 ( 0.967 0.000 1.496) 1.781 3.567 ( -5.055 -0.000 3.121) 5.941 3.782 ( -2.691 -0.000 0.952) 2.855 3.817 ( -3.581 -0.000 -2.949) 4.639 3.886 ( -3.544 -0.000 10.971) 11.529 4.098 ( -0.135 -0.000 -0.156) 0.206 4.291 ( -6.933 -0.000 2.717) 7.446 4.349 ( 2.940 0.000 -8.261) 8.769 4.488 ( -13.081 -0.000 5.166) 14.064 4.716 ( -4.010 -0.000 4.484) 6.016 4.757 ( 2.031 0.000 4.946) 5.346 4.904 ( 0.008 0.000 -7.872) 7.872 4.970 ( -13.980 -0.000 5.445) 15.003 5.170 ( -6.567 -0.000 2.504) 7.028 5.184 ( -4.838 -0.000 -3.604) 6.032 5.311 ( 4.518 0.000 -5.810) 7.360 5.573 ( -10.474 -0.000 -6.043) 12.092 5.859 ( 5.031 0.000 -0.869) 5.106 6.047 ( -1.122 -0.000 3.980) 4.135 6.322 ( -18.445 -0.000 0.644) 18.456 6.325 ( -3.318 -0.000 4.105) 5.278 6.407 ( -1.753 -0.000 -1.261) 2.160 6.566 ( -3.246 -0.000 -8.996) 9.564 6.769 ( -6.941 -0.000 -3.612) 7.825 7.041 ( -8.844 -0.000 10.199) 13.500 7.241 ( -10.024 -0.000 -9.650) 13.914 7.360 ( 0.665 0.000 5.254) 5.296 7.682 ( 1.179 0.000 1.498) 1.906 7.763 ( 1.960 0.000 0.663) 2.069 8.895 ( -2.796 -0.000 0.809) 2.911 8.915 ( 0.149 0.000 -4.013) 4.016 9.190 ( -1.184 -0.000 1.554) 1.953 9.365 ( 2.303 0.000 -3.785) 4.430 9.443 ( 12.364 0.000 1.550) 12.461 9.467 ( 12.729 0.000 0.172) 12.730 9.727 ( 2.115 0.000 -5.745) 6.122 9.882 ( -5.402 -0.000 2.478) 5.943 10.085 ( 0.797 0.000 -0.325) 0.861 10.147 ( -2.819 -0.000 4.459) 5.275 10.317 ( -4.535 -0.000 1.215) 4.695 10.484 ( -6.729 -0.000 -4.462) 8.074 11.349 ( 6.664 0.000 1.023) 6.742 11.363 ( 4.631 0.000 0.585) 4.668 11.670 ( 5.789 0.000 -0.945) 5.865 11.673 ( 4.165 0.000 1.233) 4.344 13.105 ( -6.246 -0.000 -1.472) 6.417 13.129 ( -7.502 -0.000 0.314) 7.509 13.289 ( 0.286 0.000 -0.357) 0.458 13.304 ( -2.315 -0.000 0.853) 2.467 13.659 ( -7.486 -0.000 -1.234) 7.587 13.743 ( -2.298 -0.000 2.363) 3.296 13.924 ( -1.717 -0.000 0.789) 1.889 13.937 ( -7.271 -0.000 -1.006) 7.341 14.172 ( 23.896 0.000 -7.953) 25.185 14.218 ( 18.784 0.000 3.197) 19.054 14.477 ( 1.293 0.000 -1.273) 1.814 14.488 ( 2.433 0.000 1.864) 3.065 15.375 ( 2.840 0.000 2.105) 3.535 15.408 ( 6.681 0.000 -2.479) 7.126 15.737 ( 1.857 0.000 1.276) 2.253 15.847 ( 5.998 0.000 -1.199) 6.116 16.522 ( 3.424 0.000 0.184) 3.429 16.630 ( 0.449 0.000 -2.785) 2.821 16.754 ( 1.725 0.000 3.425) 3.834 16.858 ( 7.196 0.000 -7.589) 10.458 19.349 ( -8.311 -0.000 -0.651) 8.337 19.546 ( -4.860 -0.000 -0.632) 4.901 20.039 ( 2.123 0.000 -0.105) 2.125 20.333 ( 4.801 0.000 -0.158) 4.804 21.201 ( -4.459 -0.000 7.846) 9.025 21.631 ( 0.874 0.000 -2.064) 2.241 23.183 ( -1.743 -0.000 7.150) 7.360 23.502 ( 0.281 0.000 -5.713) 5.720 26.743 ( -0.207 -0.000 -0.634) 0.667 26.762 ( 0.069 0.000 0.535) 0.540 29.134 ( 9.862 0.000 4.972) 11.044 29.138 ( 4.161 0.000 -3.704) 5.571 29.786 ( 16.131 0.000 7.360) 17.730 30.390 ( 28.036 0.000 -22.073) 35.683 30.730 ( -0.045 -0.000 2.740) 2.740 30.734 ( -2.324 -0.000 -2.580) 3.472 31.029 ( -3.476 -0.000 4.416) 5.619 31.090 ( -3.720 -0.000 -4.782) 6.058 32.195 ( -0.135 -0.000 -0.565) 0.581 32.212 ( 2.977 0.000 0.315) 2.994 32.556 ( 2.808 0.000 -1.212) 3.059 32.774 ( 10.774 0.000 -10.474) 15.026 33.548 ( -2.391 -0.000 9.056) 9.366 34.020 ( -0.533 -0.000 -7.369) 7.388 35.643 ( 3.600 0.000 4.352) 5.648 35.716 ( -2.687 -0.000 -5.336) 5.975 36.071 ( -0.830 -0.000 -8.119) 8.162 36.201 ( -2.449 -0.000 7.443) 7.836 36.428 ( 8.860 0.000 -3.998) 9.720 36.722 ( 1.612 0.000 -6.106) 6.315 38.170 ( -32.709 -0.000 30.974) 45.048 38.982 ( -12.113 -0.000 -5.360) 13.246 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 10.795 -1.793 -5.610) 12.297 1.128 ( 0.837 2.991 -2.520) 4.000 1.826 ( 12.085 6.735 13.016) 18.996 1.914 ( 3.154 2.576 -9.083) 9.954 2.166 ( 14.367 -16.110 17.222) 27.614 2.452 ( -15.468 -6.027 -19.975) 25.973 2.547 ( 19.706 -0.358 -12.119) 23.137 2.676 ( 5.188 2.646 5.071) 7.722 3.155 ( -2.873 7.702 1.041) 8.286 3.278 ( 9.795 -5.238 1.030) 11.156 3.306 ( 13.286 1.081 0.529) 13.340 3.452 ( -3.297 4.231 -3.632) 6.478 3.568 ( 4.792 1.950 10.048) 11.302 3.740 ( -3.177 3.616 2.450) 5.401 3.786 ( -10.337 -1.616 10.750) 15.001 3.994 ( 4.091 -10.822 -1.924) 11.728 4.072 ( 2.644 1.725 -3.710) 4.872 4.220 ( -2.274 1.325 5.590) 6.178 4.307 ( -7.626 -2.672 1.926) 8.307 4.392 ( 0.957 -4.533 -6.117) 7.674 4.591 ( -9.697 3.525 2.279) 10.566 4.793 ( -1.409 1.972 4.637) 5.233 4.825 ( -3.811 -0.843 1.815) 4.304 4.875 ( -2.098 -2.118 -1.903) 3.537 5.064 ( -7.004 -1.781 -0.245) 7.231 5.113 ( 1.702 1.357 -3.798) 4.378 5.289 ( -6.690 7.826 -3.026) 10.731 5.490 ( 0.709 -8.989 1.029) 9.076 5.923 ( -1.199 3.160 0.061) 3.380 6.005 ( -8.630 1.968 -1.408) 8.963 6.047 ( -1.097 -2.490 0.622) 2.791 6.308 ( -1.512 0.428 1.951) 2.505 6.394 ( -0.879 3.031 -0.276) 3.168 6.451 ( -2.001 2.816 -8.081) 8.788 6.706 ( 0.048 -3.961 -3.596) 5.350 6.815 ( -18.356 2.274 6.623) 19.646 7.180 ( 5.236 4.192 -2.344) 7.105 7.404 ( 1.242 -0.426 0.839) 1.558 7.665 ( -2.182 4.172 0.419) 4.727 7.785 ( -0.756 -1.609 1.548) 2.357 8.851 ( -0.590 2.627 0.634) 2.766 8.915 ( 1.017 -0.738 -3.102) 3.347 9.159 ( -1.031 1.469 1.584) 2.393 9.333 ( -1.795 -1.794 -5.809) 6.340 9.638 ( 6.750 1.311 -0.049) 6.877 9.651 ( 10.023 1.225 0.795) 10.129 9.750 ( 4.433 0.786 -3.259) 5.558 9.822 ( -4.122 -3.001 2.603) 5.725 10.043 ( -6.616 -0.929 2.619) 7.176 10.130 ( -3.864 -0.773 3.689) 5.397 10.279 ( 0.192 5.186 -4.313) 6.748 10.411 ( 1.006 -7.185 -2.716) 7.747 11.426 ( 3.192 0.907 1.800) 3.775 11.436 ( 3.757 -0.032 1.040) 3.899 11.722 ( 3.321 2.958 0.089) 4.448 11.772 ( 4.629 -1.605 0.296) 4.908 12.880 ( -13.732 8.953 -0.454) 16.399 13.027 ( -6.807 -4.603 -0.460) 8.230 13.262 ( -0.623 0.000 0.553) 0.833 13.356 ( -2.162 -8.677 0.306) 8.948 13.532 ( -2.312 5.601 0.234) 6.064 13.735 ( -3.947 -6.299 0.273) 7.439 13.874 ( -2.156 -0.785 -0.277) 2.311 13.927 ( 1.208 -2.485 -0.274) 2.777 14.275 ( 18.374 23.152 -0.876) 29.570 14.391 ( 0.103 2.544 -0.218) 2.556 14.489 ( -0.520 -0.813 0.239) 0.994 14.809 ( 13.108 -23.111 -0.306) 26.571 15.473 ( 5.689 -0.790 2.511) 6.268 15.518 ( 7.510 -1.539 -2.099) 7.948 15.755 ( -0.374 0.658 1.517) 1.695 15.889 ( 1.721 2.262 -1.549) 3.237 16.584 ( 3.472 1.066 0.033) 3.632 16.643 ( 1.675 -2.892 -1.392) 3.620 16.779 ( -0.803 0.835 3.108) 3.317 16.903 ( 3.064 -0.758 -5.096) 5.994 19.226 ( -5.114 1.637 0.529) 5.396 19.455 ( -5.158 0.087 -1.568) 5.392 20.073 ( 2.585 1.006 0.137) 2.777 20.426 ( 4.681 -2.503 -0.363) 5.321 21.186 ( -3.062 0.503 6.904) 7.570 21.623 ( 0.272 0.686 -2.243) 2.361 23.197 ( -1.432 1.414 7.738) 7.995 23.483 ( 0.217 -2.860 -5.949) 6.604 26.724 ( -0.206 1.882 -0.451) 1.946 26.779 ( 0.216 -1.884 0.329) 1.925 29.109 ( 5.773 10.856 -1.009) 12.337 29.442 ( 10.603 -13.051 2.550) 17.008 30.059 ( 7.178 -1.393 9.732) 12.173 30.497 ( -5.579 -5.307 -5.494) 9.459 30.760 ( 8.592 1.165 -3.362) 9.300 30.784 ( 4.751 -0.666 -1.786) 5.119 31.018 ( 3.920 3.838 1.110) 5.597 31.096 ( 4.348 -3.216 -0.427) 5.425 32.184 ( -0.937 -0.564 -0.090) 1.097 32.260 ( 2.304 -0.203 0.538) 2.375 32.588 ( 2.230 0.575 -1.130) 2.565 32.863 ( 7.144 -2.253 -11.369) 13.615 33.566 ( -2.178 0.103 8.828) 9.093 33.967 ( -0.090 0.367 -6.694) 6.705 35.630 ( -3.606 -0.348 -5.900) 6.924 35.727 ( 3.815 0.163 3.085) 4.909 36.023 ( -0.023 -2.488 -10.279) 10.575 36.206 ( -2.793 0.616 9.040) 9.481 36.527 ( 6.759 0.573 -3.733) 7.742 36.716 ( 1.888 -0.769 -5.688) 6.042 37.883 ( -21.953 5.913 27.389) 35.596 38.716 ( -11.927 2.124 -9.862) 15.621 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.366 2.511 -4.245) 4.946 1.098 ( 4.914 0.629 -0.158) 4.956 1.846 ( 1.724 1.687 -4.802) 5.374 1.992 ( 8.240 0.374 0.818) 8.289 2.306 ( -1.077 -5.160 -8.050) 9.622 2.553 ( -0.821 -1.964 -3.015) 3.691 2.723 ( 0.558 1.424 14.847) 14.925 2.737 ( 11.683 -5.018 -4.902) 13.628 2.932 ( -5.673 7.419 2.493) 9.666 3.284 ( -6.309 5.886 -0.954) 8.681 3.347 ( -1.945 -2.042 -2.470) 3.749 3.504 ( -1.985 -0.756 -0.423) 2.166 3.636 ( -6.195 -1.862 2.440) 6.914 3.672 ( 4.555 3.253 4.994) 7.502 3.728 ( -1.780 -3.907 4.485) 6.209 4.032 ( 1.184 4.415 0.801) 4.640 4.127 ( 2.061 2.086 -4.277) 5.186 4.223 ( -7.332 -4.256 3.170) 9.051 4.314 ( 7.463 1.062 -3.670) 8.384 4.464 ( 5.426 -9.874 -6.595) 13.055 4.552 ( 3.311 -1.121 3.892) 5.231 4.700 ( -8.056 3.413 2.516) 9.104 4.835 ( -1.002 -3.914 1.715) 4.389 4.879 ( -4.253 -3.881 -0.451) 5.776 5.012 ( -8.205 3.207 3.147) 9.355 5.033 ( 0.793 -3.674 3.517) 5.148 5.224 ( 9.323 1.840 0.040) 9.503 5.592 ( 1.153 -1.619 2.668) 3.327 5.798 ( -0.371 1.981 -2.262) 3.030 5.978 ( 2.932 2.915 -3.092) 5.163 6.109 ( 2.065 -3.067 0.429) 3.722 6.285 ( -2.588 0.948 -1.532) 3.154 6.297 ( -2.584 5.500 0.245) 6.081 6.369 ( 0.170 3.207 -4.845) 5.813 6.621 ( -9.350 -2.879 3.239) 10.305 6.777 ( 4.852 -3.823 -1.576) 6.375 7.196 ( 2.787 6.070 1.762) 6.908 7.409 ( 0.214 1.421 -2.408) 2.804 7.562 ( -4.576 3.868 1.004) 6.075 7.784 ( -3.921 -4.024 0.812) 5.677 8.830 ( 0.572 2.763 -0.355) 2.844 8.918 ( 2.108 0.343 -1.230) 2.465 9.165 ( 0.443 -0.010 0.358) 0.570 9.298 ( -0.826 -2.430 -4.922) 5.551 9.610 ( -5.681 -0.300 -0.272) 5.695 9.715 ( -3.726 -0.443 2.446) 4.479 9.793 ( 0.154 1.179 -2.252) 2.547 9.830 ( -1.609 -4.987 1.425) 5.430 10.000 ( 0.912 0.791 1.574) 1.983 10.095 ( -1.575 0.637 0.489) 1.768 10.230 ( 5.521 5.000 -1.596) 7.618 10.539 ( 5.054 -5.423 -2.365) 7.782 11.441 ( -2.314 0.435 2.166) 3.199 11.496 ( 1.306 -0.298 0.809) 1.565 11.720 ( 0.068 2.054 -0.422) 2.098 11.829 ( 0.731 -0.670 0.273) 1.028 12.611 ( -6.144 6.588 -0.255) 9.012 12.990 ( -5.110 -6.973 -0.152) 8.646 13.261 ( -1.036 -2.752 0.002) 2.941 13.395 ( -4.578 -9.173 0.675) 10.274 13.477 ( 1.559 6.071 0.328) 6.276 13.745 ( -2.412 -5.560 -1.205) 6.179 13.847 ( -0.048 2.552 -0.524) 2.605 13.991 ( 1.818 -3.499 0.636) 3.994 14.301 ( 10.013 15.846 -0.438) 18.750 14.382 ( 5.518 6.995 0.542) 8.926 14.499 ( 3.183 1.215 0.268) 3.418 15.137 ( 5.401 -11.656 -0.466) 12.855 15.571 ( 4.014 -0.804 0.309) 4.105 15.636 ( 5.441 -2.378 -1.118) 6.043 15.732 ( -1.892 1.916 1.249) 2.969 15.851 ( -1.114 3.943 0.028) 4.097 16.621 ( 2.581 -0.919 -1.204) 2.992 16.693 ( 0.707 -1.942 -0.539) 2.136 16.751 ( -2.838 1.399 2.489) 4.025 16.909 ( -0.233 -1.051 -3.084) 3.267 19.173 ( -0.960 0.755 1.846) 2.213 19.379 ( -2.952 -1.191 -2.414) 3.996 20.101 ( 2.132 1.867 1.121) 3.048 20.512 ( 3.942 -1.317 -1.053) 4.287 21.176 ( -2.940 0.143 6.327) 6.978 21.603 ( 0.022 0.437 -2.849) 2.882 23.206 ( -1.258 1.576 7.352) 7.624 23.488 ( -0.459 -4.730 -4.959) 6.868 26.700 ( 0.043 1.758 -0.273) 1.779 26.802 ( 0.051 -1.650 0.110) 1.655 29.086 ( 5.107 9.884 -0.304) 11.130 29.723 ( 9.630 -5.632 0.865) 11.189 30.089 ( -10.055 -2.399 4.880) 11.431 30.470 ( -2.458 -7.350 2.775) 8.232 30.808 ( 1.098 0.359 0.727) 1.365 30.856 ( 2.396 -2.283 -2.269) 4.012 31.111 ( 13.719 6.592 -2.820) 15.479 31.241 ( 7.555 0.695 6.648) 10.087 32.185 ( -0.799 -1.901 1.366) 2.473 32.290 ( 1.055 0.544 0.737) 1.397 32.599 ( 1.221 1.454 -0.752) 2.042 32.902 ( 2.617 -4.195 -11.736) 12.735 33.583 ( -2.191 0.167 7.932) 8.231 33.941 ( 1.508 -0.606 -5.051) 5.306 35.543 ( -3.134 -0.654 -5.770) 6.599 35.796 ( 3.284 0.400 1.436) 3.607 35.978 ( -1.330 -3.909 -12.222) 12.900 36.209 ( -2.900 1.307 9.519) 10.036 36.580 ( 4.412 2.262 -3.485) 6.060 36.732 ( 2.178 -1.696 -4.021) 4.877 37.674 ( -14.517 8.735 21.309) 27.223 38.504 ( -5.063 -2.382 -10.471) 11.872 ======================= Grid point 81 (33/93) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.140 0.775 -3.130) 3.228 1.145 ( 0.646 1.368 -1.337) 2.019 1.971 ( 7.230 -9.076 -3.381) 12.086 2.100 ( 1.724 9.689 1.858) 10.015 2.213 ( -0.568 1.512 2.447) 2.932 2.249 ( -15.245 15.903 -7.386) 23.235 2.687 ( -6.531 6.455 -1.025) 9.240 2.763 ( 3.521 4.623 -2.531) 6.338 3.054 ( -0.991 3.889 6.820) 7.913 3.255 ( 6.124 -14.005 8.961) 17.719 3.292 ( -7.149 -7.380 -3.910) 10.993 3.497 ( -0.876 -6.052 -5.564) 8.267 3.550 ( -10.120 -1.243 3.148) 10.671 3.717 ( -1.329 -9.978 -3.012) 10.507 3.771 ( 2.358 5.334 -0.525) 5.856 3.964 ( -5.904 8.676 0.069) 10.495 4.043 ( 8.465 12.756 2.066) 15.448 4.184 ( -10.928 -4.825 9.395) 15.197 4.353 ( 7.793 6.475 -8.842) 13.447 4.560 ( -7.642 -3.945 -1.476) 8.726 4.601 ( -1.371 -8.178 -1.945) 8.517 4.688 ( 6.991 -0.862 3.430) 7.834 4.768 ( -1.156 -4.705 -2.225) 5.331 4.902 ( -0.324 -3.610 6.308) 7.275 4.995 ( 2.605 0.900 7.039) 7.559 5.257 ( 10.201 -5.793 3.318) 12.191 5.382 ( 9.900 -1.029 -1.590) 10.080 5.592 ( 0.602 5.627 4.057) 6.963 5.841 ( 3.936 -1.011 0.827) 4.147 5.950 ( 2.737 5.881 -8.913) 11.024 6.161 ( 1.289 -2.154 2.764) 3.734 6.188 ( -0.167 2.120 0.454) 2.174 6.296 ( -2.703 -0.706 0.190) 2.800 6.324 ( 4.999 0.224 -8.214) 9.618 6.581 ( -3.631 -5.442 0.499) 6.561 6.910 ( 7.873 -2.726 1.525) 8.470 7.168 ( 0.648 7.128 2.781) 7.678 7.352 ( -1.554 2.965 -4.513) 5.619 7.480 ( -3.422 -0.198 0.308) 3.441 7.752 ( -6.169 -4.793 0.192) 7.815 8.798 ( -0.180 2.353 -1.619) 2.862 8.995 ( 5.551 -2.425 1.677) 6.286 9.125 ( -4.498 2.012 0.052) 4.927 9.292 ( 0.477 -2.816 -6.411) 7.018 9.516 ( -7.765 -3.226 -0.749) 8.442 9.591 ( -13.314 -3.629 2.597) 14.042 9.778 ( 1.451 0.954 -0.861) 1.938 9.825 ( -8.019 -6.050 1.922) 10.227 10.026 ( 3.826 5.397 2.166) 6.961 10.113 ( 5.745 1.045 -2.487) 6.347 10.318 ( 9.712 4.376 0.985) 10.698 10.615 ( 2.352 -1.195 -2.357) 3.538 11.373 ( -7.214 -0.531 1.622) 7.414 11.442 ( -7.697 1.095 0.495) 7.790 11.691 ( -2.057 -0.504 -1.016) 2.349 11.816 ( -3.133 0.060 0.686) 3.208 12.625 ( 10.376 -1.987 -0.150) 10.565 13.003 ( -2.010 -7.268 0.113) 7.542 13.297 ( 0.465 -4.958 -0.106) 4.981 13.408 ( -3.643 -6.195 0.668) 7.217 13.442 ( 0.927 5.597 0.406) 5.688 13.738 ( -2.395 -1.785 -1.096) 3.182 13.814 ( 0.969 3.974 -1.201) 4.263 14.033 ( -0.440 -0.825 1.209) 1.528 14.306 ( 8.545 11.858 -0.381) 14.621 14.400 ( 4.012 4.839 0.592) 6.314 14.587 ( 10.357 5.458 0.321) 11.712 15.208 ( -2.925 -0.639 -0.794) 3.097 15.612 ( -0.159 -0.642 -0.391) 0.768 15.661 ( -2.347 2.711 -0.110) 3.587 15.723 ( 2.812 -0.429 -0.783) 2.950 15.808 ( 0.187 3.648 2.428) 4.387 16.656 ( -1.458 1.089 -1.345) 2.263 16.674 ( 0.956 -0.461 -0.985) 1.448 16.728 ( -2.286 -0.983 1.870) 3.113 16.883 ( -2.550 -1.895 -2.347) 3.950 19.198 ( 1.842 -1.773 1.770) 3.109 19.365 ( 0.470 -3.096 -2.649) 4.102 20.117 ( 1.323 2.341 1.957) 3.326 20.561 ( 3.510 1.596 -2.044) 4.364 21.168 ( -3.312 -0.870 6.413) 7.270 21.584 ( 0.289 -0.387 -3.535) 3.568 23.215 ( -1.793 0.822 7.165) 7.431 23.494 ( -1.320 -4.807 -4.221) 6.532 26.690 ( 0.607 0.928 -0.140) 1.118 26.812 ( -0.435 -0.716 -0.045) 0.838 29.075 ( 4.994 8.082 0.204) 9.502 29.793 ( 0.305 8.319 -1.287) 8.423 29.974 ( -14.043 -9.739 4.527) 17.679 30.569 ( 5.544 -1.256 3.934) 6.913 30.820 ( 0.751 0.589 0.208) 0.977 30.899 ( 1.171 -3.705 -0.899) 3.988 31.255 ( 13.932 6.169 -1.878) 15.352 31.352 ( 3.872 3.691 6.243) 8.222 32.212 ( -0.569 -2.400 2.834) 3.757 32.290 ( -0.444 1.078 0.444) 1.248 32.584 ( -0.768 1.877 -1.136) 2.325 32.895 ( 0.218 -4.890 -10.870) 11.922 33.584 ( -2.929 0.389 6.103) 6.780 33.967 ( 2.904 -2.362 -3.512) 5.133 35.480 ( -1.623 -0.552 -4.074) 4.420 35.841 ( 2.267 0.321 -0.473) 2.338 35.900 ( -3.448 -3.573 -12.735) 13.669 36.204 ( -3.215 1.430 8.971) 9.637 36.587 ( 2.947 3.456 -3.314) 5.622 36.755 ( 1.092 -1.282 -3.081) 3.511 37.502 ( -9.763 9.804 17.657) 22.432 38.496 ( 3.185 -9.294 -7.819) 12.556 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -3.482 3.482 -4.019) 6.357 1.079 ( -4.057 0.699 -0.697) 4.175 1.670 ( -14.057 25.203 -12.255) 31.353 1.768 ( -17.256 19.825 8.459) 27.611 2.075 ( -8.560 19.966 7.553) 23.000 2.332 ( 5.924 -5.227 -12.609) 14.879 2.646 ( 6.674 -8.856 11.985) 16.328 2.754 ( 2.522 3.462 -4.410) 6.148 3.014 ( -4.547 6.156 4.910) 9.092 3.183 ( -10.252 -1.923 -7.783) 13.015 3.367 ( -6.188 -3.001 -2.991) 7.500 3.442 ( -1.612 0.296 5.124) 5.380 3.583 ( -6.968 -10.504 4.435) 13.363 3.733 ( 1.678 2.741 -1.748) 3.659 3.794 ( 4.910 -4.637 -3.453) 7.584 3.869 ( 2.977 2.834 -0.768) 4.181 4.002 ( -3.884 0.607 -0.598) 3.976 4.210 ( 3.176 -1.689 11.463) 12.014 4.360 ( 7.153 2.484 -7.975) 10.997 4.528 ( -1.846 -4.837 1.007) 5.275 4.633 ( -3.049 -7.426 1.938) 8.259 4.761 ( -1.031 -0.107 4.840) 4.950 4.873 ( 3.739 -6.389 -1.804) 7.619 5.010 ( 7.113 -0.527 7.465) 10.325 5.122 ( 4.695 -2.082 8.426) 9.867 5.356 ( -1.794 -0.849 -0.194) 1.994 5.490 ( 1.684 6.955 1.258) 7.266 5.627 ( 9.586 -0.855 -3.097) 10.110 5.847 ( -0.464 2.461 -1.078) 2.727 5.913 ( 6.158 3.167 -11.051) 13.041 6.210 ( -1.628 -3.873 3.752) 5.633 6.239 ( 1.631 0.923 -3.486) 3.958 6.320 ( 6.917 -8.989 4.108) 12.064 6.400 ( 8.136 -0.033 -6.592) 10.471 6.603 ( -0.702 -6.190 -1.595) 6.431 7.102 ( 9.065 -2.188 3.168) 9.849 7.113 ( 0.476 7.192 3.068) 7.834 7.258 ( -0.445 4.504 -4.372) 6.293 7.477 ( -0.962 -5.367 -0.472) 5.473 7.680 ( -8.605 -4.657 -0.374) 9.792 8.779 ( 0.813 -0.466 -1.808) 2.036 8.994 ( -7.363 -0.754 -1.055) 7.477 9.118 ( -0.669 -0.177 5.142) 5.188 9.268 ( 0.183 -2.472 -6.883) 7.316 9.430 ( -6.994 -0.294 -0.369) 7.010 9.460 ( -5.328 -2.830 -0.048) 6.034 9.712 ( -10.525 -5.682 0.443) 11.969 9.823 ( -0.215 -3.801 0.272) 3.816 10.042 ( 2.429 4.476 3.233) 6.032 10.192 ( 7.047 2.403 -1.742) 7.647 10.407 ( 4.520 4.712 2.024) 6.835 10.642 ( 5.737 3.005 -2.453) 6.925 11.262 ( -8.936 -1.869 1.196) 9.207 11.304 ( -8.124 -1.648 0.196) 8.292 11.647 ( -4.180 -2.203 -1.443) 4.940 11.744 ( -5.683 0.266 0.453) 5.708 12.894 ( 14.841 -6.892 -0.472) 16.370 13.075 ( 2.824 -5.314 0.221) 6.022 13.326 ( -4.038 -3.934 0.935) 5.715 13.397 ( -1.853 2.149 0.271) 2.851 13.461 ( 5.652 -2.589 0.072) 6.217 13.694 ( -1.373 3.016 -0.433) 3.342 13.794 ( 1.354 2.513 -0.632) 2.924 14.015 ( -1.616 0.994 0.251) 1.914 14.303 ( 3.799 9.904 -0.457) 10.617 14.424 ( 3.082 4.464 1.358) 5.592 14.650 ( 5.881 10.392 -0.868) 11.973 15.130 ( -0.934 3.448 -0.095) 3.574 15.528 ( -4.840 5.515 0.152) 7.339 15.647 ( 0.157 -0.939 -0.241) 0.983 15.742 ( 0.248 0.674 -2.028) 2.152 15.806 ( 2.694 4.612 2.898) 6.077 16.592 ( -1.731 1.452 -2.335) 3.249 16.678 ( -1.423 1.452 0.346) 2.063 16.703 ( -2.262 -0.352 0.147) 2.294 16.845 ( -4.342 -3.982 -2.244) 6.304 19.285 ( 3.725 -4.887 0.491) 6.165 19.415 ( 2.358 -4.552 -2.276) 5.609 20.119 ( 0.325 2.530 2.553) 3.609 20.567 ( 3.670 4.618 -4.150) 7.212 21.171 ( -3.531 -2.454 7.405) 8.563 21.581 ( 1.243 -1.332 -4.081) 4.469 23.216 ( -3.464 -0.157 7.108) 7.909 23.495 ( -1.024 -4.344 -4.019) 6.006 26.700 ( 1.297 0.035 -0.037) 1.298 26.802 ( -0.944 0.191 -0.082) 0.966 29.090 ( 6.157 6.621 0.207) 9.044 29.659 ( -2.493 8.875 -1.090) 9.283 29.825 ( -16.466 -1.651 5.078) 17.310 30.679 ( 6.581 3.194 1.388) 7.446 30.822 ( 0.500 0.863 -0.130) 1.006 30.965 ( 3.576 -2.320 -0.950) 4.368 31.382 ( 6.083 7.506 -0.292) 9.665 31.396 ( 6.172 -0.756 -1.729) 6.454 32.230 ( -1.679 -0.195 2.432) 2.961 32.269 ( -1.053 0.425 0.293) 1.173 32.507 ( -5.521 0.246 -4.052) 6.853 32.884 ( 1.821 -2.204 -11.600) 11.947 33.554 ( -3.744 0.714 3.344) 5.071 34.022 ( 2.658 -3.336 -3.369) 5.435 35.457 ( 0.359 -0.188 -0.860) 0.951 35.778 ( -4.861 -1.800 -9.088) 10.462 35.868 ( 1.799 0.969 -1.633) 2.616 36.191 ( -3.327 0.893 7.981) 8.693 36.562 ( 1.930 5.539 -3.488) 6.824 36.752 ( 0.179 -0.916 -4.244) 4.346 37.422 ( -5.882 4.246 24.436) 25.490 38.662 ( 7.574 -13.119 -6.165) 16.354 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -6.837 11.000 -3.521) 13.421 0.961 ( -9.529 10.691 4.190) 14.922 1.182 ( -6.868 22.452 -3.440) 23.729 1.290 ( -19.682 21.886 1.183) 29.458 1.690 ( -5.947 34.186 26.941) 43.931 2.432 ( 4.853 -7.565 -13.446) 16.173 2.668 ( -4.575 9.469 -8.051) 13.244 2.797 ( -8.486 3.918 -1.687) 9.498 2.864 ( -0.911 0.714 4.849) 4.985 2.986 ( -3.559 10.039 1.632) 10.775 3.353 ( -2.190 -6.368 3.706) 7.687 3.414 ( 0.513 7.476 -2.875) 8.026 3.539 ( -8.546 -5.955 7.987) 13.126 3.718 ( 6.825 1.000 -3.543) 7.755 3.898 ( 0.829 -0.189 2.608) 2.743 3.939 ( 3.948 -4.156 -2.606) 6.297 4.008 ( 0.419 -11.629 -9.897) 15.276 4.373 ( 6.603 -4.518 0.099) 8.001 4.468 ( -0.284 -10.392 7.239) 12.668 4.565 ( 2.566 -0.904 -2.483) 3.684 4.677 ( -2.960 -7.882 2.943) 8.919 4.744 ( -2.751 4.046 6.187) 7.888 4.963 ( 4.424 0.640 3.099) 5.439 5.169 ( 1.925 0.562 9.043) 9.262 5.205 ( -2.390 2.485 -4.515) 5.681 5.338 ( 0.953 -6.654 2.761) 7.267 5.424 ( -0.311 4.302 4.355) 6.130 5.741 ( 5.363 -2.248 -7.407) 9.417 5.860 ( 2.494 -0.248 2.243) 3.364 5.912 ( 4.884 1.896 -8.357) 9.864 6.196 ( 2.387 -3.659 -6.971) 8.227 6.343 ( 5.419 -2.366 3.816) 7.037 6.459 ( 4.469 0.637 -4.982) 6.723 6.557 ( 3.308 -10.191 2.100) 10.918 6.669 ( 1.466 -8.082 1.561) 8.361 7.006 ( -0.845 7.033 -4.271) 8.272 7.236 ( 5.718 3.435 2.026) 6.971 7.339 ( 9.244 -2.659 5.454) 11.057 7.496 ( -5.330 -4.901 1.110) 7.325 7.603 ( -4.385 -4.560 -1.087) 6.418 8.814 ( 2.472 -3.508 -2.470) 4.952 8.907 ( -4.860 -3.227 0.035) 5.834 9.045 ( -6.088 0.953 1.551) 6.355 9.246 ( -12.734 1.168 0.680) 12.806 9.283 ( 0.445 0.971 0.438) 1.154 9.454 ( 1.343 1.620 -2.047) 2.936 9.693 ( -1.547 -10.385 -0.738) 10.526 9.844 ( -1.864 -4.273 -1.488) 4.894 10.055 ( 0.183 1.550 4.084) 4.372 10.237 ( 2.252 4.300 0.019) 4.854 10.409 ( 2.089 3.699 2.137) 4.756 10.712 ( 8.067 5.326 -1.610) 9.800 11.154 ( -7.175 -2.360 0.968) 7.615 11.238 ( -4.699 -4.445 0.009) 6.469 11.596 ( -3.660 -3.060 -1.974) 5.163 11.647 ( -5.301 0.325 -1.335) 5.476 13.147 ( 7.499 -6.372 -0.963) 9.888 13.191 ( 5.573 -2.285 0.233) 6.028 13.294 ( -3.153 -1.533 1.417) 3.782 13.342 ( -2.408 1.384 -0.736) 2.873 13.605 ( 7.015 -1.142 -0.174) 7.109 13.658 ( 3.620 3.660 0.110) 5.148 13.790 ( -0.632 -0.048 0.597) 0.871 13.980 ( -3.322 0.781 0.252) 3.422 14.172 ( -7.591 7.523 -0.870) 10.723 14.381 ( -0.818 7.545 0.291) 7.595 14.602 ( 5.582 14.325 0.808) 15.396 15.143 ( 6.527 5.430 -2.139) 8.756 15.406 ( -3.208 4.429 0.635) 5.506 15.646 ( -2.059 -1.946 -0.266) 2.846 15.691 ( -1.257 3.016 -4.340) 5.433 15.825 ( 5.312 7.865 -3.804) 10.225 16.552 ( -0.951 -0.803 -2.585) 2.869 16.622 ( -2.646 2.592 0.776) 3.785 16.663 ( -1.250 1.240 -1.634) 2.402 16.777 ( -7.243 -2.552 -1.119) 7.760 19.409 ( 3.788 -6.666 -0.025) 7.667 19.487 ( 1.795 -5.257 -2.151) 5.957 20.106 ( -1.091 2.457 3.061) 4.074 20.528 ( 3.491 7.321 -8.846) 12.001 21.203 ( -3.500 -5.302 8.829) 10.877 21.600 ( 2.314 -1.897 -4.575) 5.467 23.188 ( -6.098 -1.199 6.229) 8.799 23.506 ( 0.573 -3.520 -3.864) 5.258 26.727 ( 1.773 -0.298 0.043) 1.798 26.780 ( -1.269 0.489 -0.041) 1.361 29.145 ( 9.140 6.642 -0.168) 11.299 29.552 ( -1.953 12.085 0.515) 12.252 29.577 ( -11.342 0.749 2.078) 11.555 30.729 ( 3.053 3.077 0.688) 4.389 30.820 ( 0.439 0.647 -0.397) 0.877 31.010 ( 0.251 -0.274 -7.945) 7.954 31.277 ( -16.305 0.116 -20.311) 26.047 31.417 ( 10.489 13.694 -9.847) 19.862 32.197 ( -2.149 0.809 0.668) 2.391 32.241 ( -2.173 1.726 -1.178) 3.015 32.390 ( -4.139 -0.811 -1.248) 4.399 32.798 ( 1.135 6.664 -18.413) 19.615 33.507 ( -3.007 0.774 4.180) 5.207 34.067 ( 1.647 -3.198 -4.462) 5.732 35.482 ( 1.373 -0.060 2.079) 2.492 35.731 ( 2.468 -0.220 5.077) 5.649 35.869 ( 1.794 1.533 -1.986) 3.085 36.181 ( -3.027 0.076 6.930) 7.562 36.482 ( 0.187 8.522 -4.976) 9.870 36.738 ( 0.716 -1.066 -5.008) 5.170 37.611 ( -0.537 -14.947 43.676) 46.166 38.888 ( 7.086 -13.680 -4.761) 16.126 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 6.523 18.675 3.758) 20.135 0.753 ( 6.157 18.693 14.593) 24.501 0.911 ( 8.792 21.587 18.652) 29.852 1.046 ( 0.184 3.324 3.798) 5.050 1.581 ( 5.799 28.416 33.436) 44.262 2.312 ( -5.933 11.779 -19.140) 23.244 2.443 ( -0.237 -1.697 -16.613) 16.701 2.722 ( -4.308 1.960 6.476) 8.021 2.782 ( 4.177 11.622 1.957) 12.504 2.914 ( 1.979 6.890 6.509) 9.683 3.302 ( 2.299 12.254 -2.473) 12.711 3.416 ( -3.639 -12.278 -2.661) 13.080 3.571 ( -4.647 -7.738 5.315) 10.474 3.799 ( 1.541 -1.361 3.414) 3.985 3.974 ( 4.223 -4.980 -6.590) 9.277 3.979 ( 3.737 3.637 -2.474) 5.772 4.078 ( 1.292 -12.553 -9.541) 15.821 4.407 ( -2.901 4.159 -2.533) 5.668 4.556 ( -9.712 -4.351 4.330) 11.490 4.584 ( 3.301 -3.396 -2.685) 5.444 4.667 ( -6.044 -0.680 6.399) 8.828 4.764 ( -0.317 -6.068 4.490) 7.555 4.994 ( -4.930 7.167 -0.404) 8.708 5.050 ( 3.985 1.989 -0.325) 4.466 5.233 ( -3.949 -1.462 6.002) 7.332 5.406 ( -3.104 -5.376 -0.707) 6.248 5.428 ( -0.987 0.314 1.853) 2.123 5.810 ( 4.861 -1.750 -3.298) 6.130 5.847 ( -0.760 1.266 -6.287) 6.458 5.923 ( 4.888 7.029 -3.103) 9.107 6.344 ( 2.323 -7.693 3.427) 8.736 6.400 ( -5.107 -4.223 0.970) 6.697 6.581 ( 10.702 -5.713 -4.131) 12.816 6.625 ( -0.339 -6.759 0.784) 6.813 6.820 ( -0.982 -10.848 5.621) 12.257 6.989 ( 6.064 -6.577 -4.544) 10.034 7.302 ( -0.860 1.891 6.304) 6.638 7.445 ( -2.150 -7.226 2.604) 7.977 7.539 ( 1.772 -2.476 8.110) 8.663 7.617 ( 1.364 -4.709 -0.383) 4.917 8.874 ( -0.258 -5.091 -0.744) 5.151 8.906 ( 0.074 -3.590 -0.746) 3.667 9.014 ( 4.842 0.946 2.960) 5.753 9.112 ( -1.145 -1.000 -0.498) 1.600 9.286 ( 0.468 1.793 1.864) 2.628 9.427 ( 0.192 3.039 -1.703) 3.489 9.744 ( -6.535 -7.550 1.688) 10.127 9.874 ( 5.065 -2.407 -3.683) 6.709 10.065 ( -3.276 -2.308 4.936) 6.358 10.191 ( -0.112 4.817 -0.234) 4.824 10.455 ( 2.987 1.529 4.202) 5.378 10.711 ( -1.013 5.404 -2.357) 5.982 11.114 ( -0.470 -0.964 1.335) 1.713 11.238 ( 0.451 -3.135 -1.296) 3.422 11.557 ( -1.061 0.127 -2.540) 2.756 11.592 ( -0.657 -2.746 -2.491) 3.765 13.230 ( -1.065 0.878 0.709) 1.552 13.260 ( -0.428 -3.056 -0.368) 3.107 13.278 ( -0.405 0.185 -0.538) 0.698 13.313 ( -0.232 -2.912 -1.536) 3.300 13.669 ( 4.005 7.668 0.963) 8.704 13.733 ( 0.845 1.134 1.153) 1.825 13.752 ( -3.397 2.475 -1.044) 4.331 13.800 ( -2.752 -0.945 -0.605) 2.972 14.133 ( 3.599 1.300 1.235) 4.021 14.273 ( -3.363 4.881 -2.338) 6.372 14.518 ( 2.662 17.442 3.038) 17.903 15.064 ( -0.895 21.900 -17.648) 28.140 15.342 ( -2.673 1.588 1.323) 3.379 15.556 ( -2.591 13.897 -13.774) 19.738 15.639 ( 0.348 -1.304 0.386) 1.404 15.693 ( -2.094 3.766 -1.853) 4.691 16.545 ( -1.580 1.945 -1.253) 2.801 16.592 ( 6.337 -0.066 -0.594) 6.365 16.649 ( 2.425 1.829 0.739) 3.126 16.693 ( -2.799 0.653 0.546) 2.926 19.497 ( -2.683 -6.178 0.524) 6.755 19.560 ( 2.572 -5.116 -1.594) 5.944 20.067 ( -3.071 2.636 3.100) 5.098 20.406 ( 1.349 10.876 -11.266) 15.717 21.256 ( -6.413 -7.676 8.335) 13.021 21.620 ( 1.198 -1.315 -4.693) 5.018 23.145 ( -4.355 -1.785 5.616) 7.328 23.527 ( 1.228 -1.897 -3.757) 4.384 26.753 ( -0.130 0.003 0.129) 0.183 26.759 ( 0.290 0.148 -0.087) 0.337 29.194 ( -0.061 9.547 0.341) 9.554 29.346 ( -0.886 4.197 -1.312) 4.486 29.588 ( 6.549 2.656 -1.654) 7.257 30.166 ( -21.588 54.519 -54.705) 80.194 30.733 ( 0.291 2.117 1.267) 2.485 30.816 ( 0.092 0.650 -0.743) 0.992 31.088 ( -0.096 2.522 2.100) 3.283 31.357 ( -0.417 6.604 -4.483) 7.993 32.170 ( -0.689 1.064 0.009) 1.267 32.187 ( 0.511 1.529 -0.728) 1.769 32.430 ( 4.693 -1.604 2.628) 5.613 32.652 ( 4.518 8.645 -10.798) 14.551 33.508 ( -1.529 0.045 7.274) 7.434 34.082 ( 0.690 -2.399 -5.823) 6.336 35.513 ( 0.980 -0.051 3.422) 3.560 35.814 ( 0.436 0.310 -2.300) 2.361 35.991 ( 13.495 -1.775 5.343) 14.623 36.178 ( -2.766 -0.626 5.509) 6.196 36.353 ( -0.588 8.550 -5.184) 10.017 36.735 ( 1.552 -0.716 -5.073) 5.353 38.227 ( -6.958 -46.734 46.824) 66.520 39.073 ( 2.211 -11.285 -2.769) 11.828 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 8.305 0.000 -1.403) 8.423 1.095 ( -3.682 -0.000 -3.082) 4.802 1.894 ( -13.993 -0.000 -3.388) 14.398 1.995 ( 9.358 0.000 -4.494) 10.381 2.256 ( 8.691 0.000 -0.231) 8.694 2.397 ( 16.833 0.000 3.300) 17.154 2.725 ( 9.459 0.000 -9.095) 13.122 2.754 ( -3.158 -0.000 13.165) 13.539 3.173 ( -4.720 -0.000 -3.355) 5.791 3.264 ( 1.677 0.000 -2.023) 2.628 3.315 ( -7.897 -0.000 -1.307) 8.005 3.472 ( -8.009 -0.000 2.301) 8.333 3.641 ( -16.482 -0.000 14.720) 22.098 3.696 ( 6.671 0.000 7.910) 10.348 3.710 ( -2.090 -0.000 -9.313) 9.544 4.000 ( 5.350 0.000 -5.953) 8.004 4.096 ( 1.991 0.000 -7.395) 7.658 4.277 ( 7.418 0.000 1.575) 7.583 4.282 ( 1.807 0.000 7.945) 8.148 4.359 ( 0.999 0.000 -7.551) 7.617 4.561 ( 4.336 0.000 5.485) 6.992 4.751 ( -6.151 -0.000 3.793) 7.226 4.781 ( -5.569 -0.000 3.664) 6.666 4.824 ( -3.885 -0.000 -3.275) 5.081 4.990 ( 0.581 0.000 2.063) 2.143 5.048 ( -4.556 -0.000 -0.455) 4.579 5.293 ( 1.486 0.000 5.143) 5.353 5.527 ( 7.767 0.000 -2.326) 8.108 5.824 ( -3.641 -0.000 -3.766) 5.238 6.022 ( 0.190 0.000 -0.002) 0.190 6.066 ( 4.570 0.000 4.132) 6.161 6.283 ( -1.633 -0.000 -1.074) 1.954 6.375 ( -2.097 -0.000 -3.314) 3.921 6.408 ( -0.574 -0.000 -7.919) 7.939 6.584 ( -14.735 -0.000 5.397) 15.693 6.742 ( 8.191 0.000 -1.153) 8.272 7.271 ( 3.583 0.000 0.456) 3.612 7.422 ( 1.085 0.000 -1.196) 1.615 7.633 ( -4.754 -0.000 0.146) 4.756 7.707 ( -7.381 -0.000 1.817) 7.601 8.867 ( -0.518 -0.000 3.709) 3.745 8.923 ( 2.758 0.000 -5.923) 6.533 9.170 ( -0.023 -0.000 3.444) 3.444 9.251 ( -0.652 -0.000 -8.089) 8.115 9.667 ( -5.923 -0.000 -0.471) 5.941 9.687 ( -11.728 -0.000 5.704) 13.041 9.727 ( -1.495 -0.000 -0.872) 1.731 9.823 ( 3.316 0.000 -1.982) 3.863 9.995 ( 2.886 0.000 1.397) 3.206 10.109 ( 0.493 0.000 -1.414) 1.497 10.325 ( 3.553 0.000 2.615) 4.411 10.442 ( 8.273 0.000 -4.624) 9.477 11.449 ( -2.146 -0.000 1.674) 2.722 11.489 ( 1.478 0.000 1.313) 1.977 11.751 ( -1.958 -0.000 -1.230) 2.313 11.816 ( 1.648 0.000 0.992) 1.924 12.759 ( -9.619 -0.000 -1.641) 9.758 12.833 ( -7.867 -0.000 0.991) 7.929 13.245 ( -2.226 -0.000 -1.411) 2.636 13.286 ( 0.193 0.000 2.257) 2.266 13.575 ( 1.261 0.000 1.370) 1.861 13.654 ( -0.275 -0.000 -1.642) 1.665 13.904 ( 3.240 0.000 1.288) 3.487 13.923 ( 1.060 0.000 -1.677) 1.984 14.400 ( 1.688 0.000 -0.642) 1.806 14.446 ( -1.091 -0.000 0.572) 1.232 14.776 ( 13.096 0.000 0.826) 13.122 14.828 ( 14.000 0.000 -0.815) 14.023 15.574 ( 4.257 0.000 3.076) 5.252 15.601 ( 5.195 0.000 -2.755) 5.880 15.759 ( -0.303 -0.000 1.636) 1.664 15.894 ( -0.629 -0.000 -2.209) 2.297 16.619 ( 0.594 0.000 -2.050) 2.134 16.658 ( 2.244 0.000 1.491) 2.694 16.771 ( -3.086 -0.000 2.727) 4.118 16.895 ( 0.036 0.000 -3.786) 3.786 19.184 ( -2.393 -0.000 2.794) 3.679 19.363 ( -3.921 -0.000 -3.098) 4.997 20.129 ( 3.111 0.000 0.398) 3.136 20.492 ( 5.166 0.000 -0.529) 5.193 21.177 ( -3.459 -0.000 6.427) 7.298 21.608 ( -0.585 -0.000 -2.537) 2.604 23.227 ( -2.696 -0.000 9.499) 9.875 23.427 ( 0.271 0.000 -7.388) 7.393 26.734 ( 0.299 0.000 -0.875) 0.925 26.770 ( -0.119 -0.000 0.776) 0.785 29.265 ( 6.166 0.000 -3.425) 7.054 29.567 ( 9.165 0.000 5.588) 10.734 30.172 ( 3.340 0.000 6.643) 7.436 30.280 ( -11.650 -0.000 -3.899) 12.285 30.816 ( 1.242 0.000 1.182) 1.714 30.838 ( 2.014 0.000 -1.661) 2.610 31.222 ( 16.706 0.000 -10.278) 19.615 31.226 ( 8.338 0.000 15.888) 17.942 32.161 ( -1.380 -0.000 0.454) 1.453 32.298 ( 1.623 0.000 1.098) 1.959 32.619 ( 1.883 0.000 -0.078) 1.884 32.852 ( 1.998 0.000 -11.993) 12.159 33.584 ( -2.186 -0.000 7.700) 8.004 33.934 ( 0.841 0.000 -5.591) 5.654 35.537 ( -3.026 -0.000 -5.606) 6.371 35.801 ( 3.394 0.000 1.154) 3.585 35.937 ( -1.055 -0.000 -11.220) 11.270 36.223 ( -2.945 -0.000 9.653) 10.092 36.611 ( 5.317 0.000 -2.381) 5.826 36.706 ( 1.912 0.000 -5.253) 5.590 37.770 ( -15.445 -0.000 23.814) 28.384 38.478 ( -8.632 -0.000 -13.087) 15.677 ======================= Grid point 88 (38/93) ======================= q-point: (-0.62 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.870 1.077 -2.500) 3.302 1.164 ( 1.013 0.420 -0.348) 1.151 1.789 ( 0.525 -5.258 3.629) 6.410 2.142 ( 10.189 -1.052 -0.472) 10.254 2.349 ( 4.983 6.863 -4.371) 9.541 2.497 ( -6.299 5.280 -3.995) 9.139 2.780 ( 3.211 1.939 -0.934) 3.865 2.870 ( 9.783 0.202 2.958) 10.222 3.053 ( 1.566 2.908 4.602) 5.664 3.175 ( -8.395 -1.388 -1.102) 8.580 3.219 ( -6.953 4.657 0.126) 8.370 3.390 ( -4.286 -4.598 -3.546) 7.217 3.449 ( -13.383 -6.129 13.299) 19.838 3.625 ( -3.009 -0.205 -8.798) 9.301 3.855 ( 7.675 1.840 1.153) 7.976 4.015 ( -2.780 -6.661 -0.900) 7.274 4.024 ( -7.915 -0.727 -5.414) 9.617 4.306 ( 5.433 7.679 -1.782) 9.574 4.360 ( -1.862 -5.617 1.714) 6.160 4.442 ( 6.005 -1.281 -5.365) 8.154 4.552 ( -8.046 4.178 2.454) 9.392 4.686 ( -2.166 -2.497 5.331) 6.272 4.741 ( -2.219 -0.011 0.052) 2.219 4.812 ( 4.911 -3.580 0.076) 6.078 5.046 ( 0.669 3.288 11.596) 12.072 5.147 ( 11.179 -4.240 5.741) 13.263 5.398 ( 9.848 2.049 0.186) 10.060 5.620 ( 2.734 -1.891 -0.295) 3.337 5.810 ( 2.749 -1.187 -1.111) 3.194 6.035 ( 3.573 1.914 -3.392) 5.286 6.146 ( 1.485 0.245 4.460) 4.707 6.219 ( -4.669 1.970 -5.356) 7.373 6.303 ( -0.392 0.630 -2.682) 2.782 6.345 ( -0.654 0.810 -6.550) 6.633 6.466 ( -7.110 -4.621 4.823) 9.755 6.901 ( 11.578 0.746 -0.069) 11.602 7.288 ( 0.233 3.275 2.061) 3.876 7.406 ( -0.330 2.309 -3.728) 4.397 7.521 ( -4.981 3.988 0.099) 6.381 7.636 ( -6.629 -6.313 0.232) 9.157 8.867 ( 0.260 3.894 -1.356) 4.132 8.937 ( 1.727 -3.078 0.214) 3.536 9.168 ( -1.561 2.109 0.509) 2.673 9.228 ( 0.423 -3.159 -7.331) 7.994 9.493 ( -11.325 0.682 3.891) 11.994 9.533 ( -11.206 -1.642 1.191) 11.389 9.691 ( -6.065 -4.985 0.839) 7.895 9.792 ( -5.058 -0.041 -0.492) 5.082 10.096 ( 7.196 1.306 0.999) 7.382 10.171 ( 9.054 3.221 -1.460) 9.721 10.396 ( 5.547 3.128 2.678) 6.909 10.549 ( 4.488 -3.988 -3.533) 6.967 11.376 ( -7.796 0.532 1.691) 7.995 11.460 ( -6.427 0.460 0.188) 6.446 11.685 ( -3.942 -0.108 -2.316) 4.573 11.814 ( -3.023 -0.170 1.030) 3.198 12.647 ( 3.987 3.708 -1.103) 5.556 12.826 ( -1.521 -8.316 0.936) 8.505 13.230 ( 0.352 -1.573 -0.692) 1.754 13.331 ( 2.112 -1.654 1.420) 3.036 13.561 ( 0.513 5.223 0.716) 5.297 13.680 ( 0.183 -3.726 -1.369) 3.973 13.899 ( 1.363 3.831 -0.934) 4.172 13.994 ( 2.323 -2.737 0.997) 3.726 14.423 ( 3.238 2.878 0.219) 4.338 14.459 ( 2.436 -0.147 -0.369) 2.468 14.829 ( 11.866 15.046 1.014) 19.189 15.104 ( 4.457 -9.415 -0.100) 10.417 15.608 ( -0.136 1.301 0.395) 1.366 15.657 ( 0.861 -2.827 -0.790) 3.059 15.768 ( 2.104 3.514 0.778) 4.169 15.871 ( 1.168 1.408 -0.900) 2.039 16.628 ( 0.945 -1.741 -0.924) 2.186 16.679 ( -1.016 -0.024 -0.391) 1.089 16.730 ( -2.507 0.742 2.215) 3.427 16.858 ( -2.588 -0.685 -2.488) 3.655 19.181 ( -0.597 -0.088 3.378) 3.432 19.309 ( -0.923 -1.896 -4.027) 4.546 20.170 ( 2.592 2.017 1.413) 3.576 20.572 ( 5.420 -0.053 -1.772) 5.703 21.156 ( -4.082 -0.292 6.035) 7.292 21.580 ( -0.517 -0.091 -3.374) 3.415 23.223 ( -4.651 0.300 9.230) 10.340 23.404 ( 0.110 -3.127 -6.636) 7.337 26.723 ( 0.563 1.944 -0.417) 2.066 26.784 ( -0.277 -1.777 0.337) 1.829 29.280 ( 5.463 10.226 -1.200) 11.656 29.711 ( -3.716 -11.074 3.758) 12.270 30.015 ( -7.492 9.340 -1.670) 12.090 30.411 ( 10.716 -10.234 3.072) 15.133 30.833 ( 0.885 0.522 0.502) 1.144 30.850 ( 0.449 -0.799 -0.930) 1.306 31.388 ( 9.048 5.988 6.127) 12.460 31.441 ( 11.736 1.694 -0.068) 11.858 32.158 ( -1.038 -2.054 1.945) 3.013 32.314 ( 0.014 0.880 0.756) 1.160 32.641 ( 1.189 3.358 0.680) 3.627 32.794 ( -1.769 -4.599 -10.458) 11.561 33.586 ( -3.018 -0.032 5.768) 6.510 33.932 ( 2.054 -0.955 -4.203) 4.774 35.473 ( -1.343 -0.152 -3.652) 3.894 35.841 ( -0.983 -0.248 -6.663) 6.739 35.855 ( 0.935 -0.876 -4.090) 4.286 36.226 ( -3.657 0.626 9.074) 9.803 36.650 ( 3.001 2.663 -2.054) 4.508 36.719 ( 1.543 -2.028 -3.801) 4.576 37.676 ( -9.797 5.829 18.992) 22.150 38.334 ( -1.719 -5.387 -11.984) 13.251 ======================= Grid point 89 (39/93) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.033 0.954 -1.302) 1.916 1.111 ( -4.732 1.848 -1.128) 5.203 1.934 ( 1.093 -2.127 -0.520) 2.448 2.139 ( -3.436 13.989 -6.520) 15.812 2.237 ( -5.004 11.584 0.216) 12.620 2.428 ( 12.658 0.117 8.991) 15.526 2.693 ( -5.008 16.477 -1.458) 17.283 2.897 ( 5.569 9.115 -1.462) 10.781 3.027 ( -6.818 -10.175 -4.558) 13.069 3.122 ( 1.259 1.981 3.367) 4.105 3.313 ( -5.573 -5.182 -6.694) 10.136 3.332 ( 5.384 -5.678 5.462) 9.542 3.471 ( -2.428 0.808 4.927) 5.551 3.569 ( 1.300 -11.083 -4.534) 12.045 3.763 ( -12.020 3.288 2.860) 12.786 3.956 ( 2.383 0.518 -0.204) 2.448 4.065 ( -4.369 -7.447 4.147) 9.578 4.228 ( -3.022 5.871 -3.871) 7.654 4.382 ( -1.294 -4.582 -5.553) 7.314 4.424 ( -1.038 -1.962 3.853) 4.447 4.510 ( 1.303 1.602 -3.062) 3.694 4.741 ( -0.916 -4.010 4.547) 6.132 4.756 ( 3.782 -1.254 2.936) 4.949 4.965 ( 5.977 -4.156 3.245) 7.970 5.124 ( 3.792 2.615 11.667) 12.544 5.333 ( 1.291 -1.887 1.792) 2.906 5.548 ( 10.881 0.739 -1.633) 11.027 5.657 ( 1.716 0.742 0.333) 1.899 5.875 ( 1.836 -0.840 0.199) 2.029 6.001 ( 0.119 6.253 -5.948) 8.631 6.119 ( -3.378 -5.060 -3.288) 6.916 6.195 ( 2.177 -0.929 2.877) 3.726 6.247 ( -1.230 -0.735 -1.276) 1.919 6.376 ( 4.492 -3.217 -5.286) 7.646 6.480 ( 0.071 -4.545 1.764) 4.876 7.084 ( 11.010 0.388 1.348) 11.099 7.273 ( 1.255 4.140 3.224) 5.395 7.325 ( -1.594 3.806 -5.738) 7.068 7.438 ( -0.631 1.725 -1.177) 2.181 7.586 ( -6.576 -4.123 -1.327) 7.874 8.807 ( -0.634 2.944 -2.623) 3.994 8.979 ( -4.147 -0.667 -0.435) 4.223 9.131 ( -0.746 1.154 5.944) 6.101 9.191 ( -1.609 -4.231 -7.636) 8.876 9.373 ( -8.407 -4.954 0.590) 9.776 9.445 ( -0.357 0.880 0.199) 0.970 9.600 ( -13.668 -4.105 2.168) 14.435 9.732 ( -3.684 -4.497 -0.125) 5.815 10.165 ( 3.980 5.985 2.276) 7.539 10.269 ( 9.154 5.119 -0.309) 10.492 10.471 ( 3.074 1.197 2.386) 4.071 10.633 ( 5.684 -3.404 -3.452) 7.471 11.236 ( -9.975 -0.638 1.290) 10.078 11.304 ( -9.983 1.263 -0.520) 10.076 11.607 ( -4.864 -1.594 -2.714) 5.793 11.742 ( -6.322 -0.372 0.369) 6.344 12.794 ( 13.185 -2.738 -1.111) 13.512 12.941 ( 5.163 -6.572 1.116) 8.432 13.263 ( 1.372 -1.537 0.019) 2.060 13.400 ( 4.206 -1.045 0.480) 4.360 13.510 ( -0.506 4.789 0.741) 4.873 13.697 ( -0.754 -2.141 -0.937) 2.456 13.881 ( 2.292 4.760 -0.247) 5.289 14.024 ( -0.753 -0.296 0.107) 0.816 14.453 ( 1.305 4.677 -1.237) 5.011 14.486 ( 3.939 1.877 1.514) 4.619 14.866 ( 6.378 9.832 1.069) 11.768 15.160 ( -0.740 -0.257 0.140) 0.796 15.584 ( -1.995 0.256 0.471) 2.066 15.651 ( -1.815 1.087 0.126) 2.119 15.771 ( 2.347 3.061 -1.076) 4.004 15.901 ( 5.321 3.268 0.410) 6.258 16.623 ( -2.937 1.561 -1.884) 3.822 16.662 ( -0.051 -2.767 -0.003) 2.768 16.711 ( -0.701 1.344 1.463) 2.107 16.801 ( -3.720 -1.003 -1.718) 4.218 19.209 ( 0.782 -2.317 1.909) 3.102 19.322 ( 1.344 -4.080 -3.593) 5.600 20.188 ( 1.700 3.493 2.342) 4.536 20.633 ( 5.213 1.982 -3.632) 6.656 21.133 ( -4.273 -1.314 6.007) 7.488 21.558 ( 0.463 -0.801 -4.352) 4.450 23.192 ( -6.970 -1.509 8.675) 11.230 23.405 ( 0.285 -3.946 -5.673) 6.916 26.717 ( 1.139 1.471 -0.075) 1.862 26.792 ( -0.717 -1.143 0.031) 1.350 29.256 ( 5.122 9.429 0.323) 10.735 29.696 ( -12.004 -7.162 3.013) 14.299 29.842 ( -3.530 5.641 -0.596) 6.681 30.695 ( 11.999 -2.126 0.594) 12.201 30.840 ( 0.568 0.879 -0.014) 1.047 30.878 ( 2.625 -3.679 -1.732) 4.840 31.427 ( -1.357 5.913 6.954) 9.228 31.595 ( 16.118 7.499 -6.586) 18.958 32.190 ( -0.682 -3.019 3.655) 4.789 32.293 ( -1.005 1.599 -0.322) 1.916 32.541 ( -6.161 3.208 -5.805) 9.052 32.812 ( 1.640 -4.847 -3.243) 6.058 33.558 ( -4.028 -0.038 3.641) 5.430 33.962 ( 2.351 -2.356 -3.552) 4.868 35.455 ( 0.618 -0.029 -0.456) 0.769 35.755 ( -3.204 -0.643 -4.878) 5.871 35.881 ( 2.367 0.366 -2.224) 3.269 36.209 ( -4.017 0.752 8.075) 9.050 36.645 ( 1.757 2.967 -1.915) 3.944 36.728 ( 0.059 -1.435 -3.604) 3.879 37.570 ( -6.748 9.080 15.732) 19.378 38.389 ( 4.049 -12.755 -8.312) 15.753 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.295 7.187 0.218) 7.548 1.030 ( -2.872 1.013 0.706) 3.126 1.676 ( -5.446 22.511 -2.525) 23.297 1.821 ( -10.339 27.365 -1.133) 29.275 2.291 ( 11.331 -5.720 -12.544) 17.845 2.356 ( -5.835 29.679 18.229) 35.316 2.651 ( -0.707 -8.717 3.430) 9.394 2.894 ( 0.313 10.503 -3.922) 11.216 3.056 ( 5.409 1.972 -5.116) 7.702 3.076 ( 1.414 7.677 0.645) 7.833 3.273 ( -1.795 -4.203 6.251) 7.743 3.377 ( -2.457 -9.461 -2.799) 10.168 3.462 ( -4.749 2.069 5.379) 7.468 3.621 ( -4.003 -10.134 -2.829) 11.257 3.782 ( 3.973 -7.597 -3.455) 9.243 3.965 ( -0.671 3.687 3.156) 4.899 4.074 ( 5.366 8.524 -1.916) 10.253 4.146 ( -6.886 -11.591 3.024) 13.817 4.361 ( -1.075 -2.615 0.439) 2.862 4.479 ( -2.924 -4.227 -2.282) 5.624 4.522 ( 2.421 -5.174 3.966) 6.954 4.795 ( 0.076 -1.117 5.259) 5.376 4.897 ( 5.902 -6.041 -0.265) 8.449 5.096 ( 1.947 -5.170 4.945) 7.414 5.230 ( 2.600 0.169 6.551) 7.050 5.263 ( -8.909 -0.111 -0.273) 8.914 5.597 ( 1.165 9.123 0.538) 9.212 5.705 ( 4.518 -1.540 -5.570) 7.335 5.877 ( 0.989 0.989 -1.293) 1.905 5.914 ( 0.308 0.732 -2.488) 2.612 6.136 ( 0.691 -4.181 -3.195) 5.308 6.303 ( 3.949 -3.213 1.048) 5.198 6.312 ( 1.998 -9.320 2.398) 9.829 6.435 ( 2.301 -4.711 -4.349) 6.812 6.560 ( 3.178 -2.498 1.781) 4.417 7.165 ( -2.273 5.231 -6.553) 8.688 7.244 ( 6.075 1.163 -0.745) 6.230 7.353 ( 5.517 -1.598 4.403) 7.237 7.425 ( -1.114 1.892 -1.777) 2.825 7.524 ( -1.385 -2.303 -0.776) 2.797 8.779 ( 1.423 0.164 -2.453) 2.841 8.876 ( -5.321 0.422 -0.908) 5.415 9.068 ( -3.780 0.991 1.722) 4.270 9.250 ( -1.181 -1.833 1.198) 2.487 9.290 ( -8.430 1.108 -0.085) 8.503 9.466 ( 3.586 -1.665 -2.864) 4.881 9.473 ( -6.286 -9.636 1.997) 11.677 9.731 ( -3.077 -6.224 -1.144) 7.037 10.143 ( -0.530 6.535 4.430) 7.913 10.347 ( 6.625 6.142 0.014) 9.034 10.475 ( -0.692 2.123 2.128) 3.085 10.764 ( 8.487 -1.067 -2.483) 8.907 11.110 ( -8.097 -2.201 0.865) 8.435 11.162 ( -6.473 -1.572 -0.310) 6.669 11.540 ( -3.320 -2.251 -2.767) 4.873 11.643 ( -5.761 -0.703 -1.466) 5.986 13.020 ( 8.994 -5.162 -0.899) 10.409 13.107 ( 5.831 -5.367 0.836) 7.969 13.289 ( 1.623 1.436 0.296) 2.187 13.416 ( -1.392 4.023 0.042) 4.258 13.550 ( 7.127 -2.464 0.335) 7.549 13.696 ( -0.866 -1.505 -0.196) 1.747 13.865 ( 2.689 6.141 -0.158) 6.706 14.004 ( -1.109 1.127 0.301) 1.610 14.334 ( -5.998 7.495 -1.215) 9.676 14.502 ( -1.429 5.072 1.434) 5.461 14.845 ( 3.808 8.062 1.211) 8.998 15.180 ( 3.155 0.411 0.058) 3.182 15.529 ( -2.400 4.801 0.629) 5.404 15.610 ( -1.750 0.973 0.842) 2.172 15.750 ( -0.072 2.951 -1.334) 3.239 15.963 ( 7.059 5.118 -2.587) 9.095 16.552 ( -2.027 0.960 -1.785) 2.866 16.658 ( -2.290 -0.129 -0.063) 2.295 16.693 ( 0.151 2.321 0.412) 2.362 16.749 ( -2.862 -0.559 -0.506) 2.959 19.278 ( 1.075 -5.833 1.137) 6.039 19.375 ( 1.915 -5.216 -3.674) 6.661 20.183 ( 0.422 4.405 3.077) 5.390 20.645 ( 4.078 4.444 -6.690) 9.008 21.126 ( -3.846 -2.735 6.439) 7.983 21.560 ( 1.758 -1.827 -5.218) 5.801 23.138 ( -8.781 -3.010 7.758) 12.098 23.428 ( 1.700 -3.907 -4.732) 6.367 26.730 ( 1.818 0.586 0.100) 1.913 26.783 ( -1.332 -0.248 -0.066) 1.357 29.275 ( 7.117 6.279 0.945) 9.538 29.567 ( -10.935 -1.903 2.221) 11.320 29.737 ( -2.841 6.666 1.617) 7.424 30.793 ( 3.010 2.822 0.358) 4.142 30.834 ( 0.069 0.830 -0.480) 0.961 30.977 ( 5.517 -2.617 -9.743) 11.499 31.327 ( -6.725 5.468 0.291) 8.672 31.690 ( 12.616 11.556 -11.176) 20.435 32.211 ( -2.680 0.190 2.726) 3.827 32.265 ( 0.053 1.007 -0.502) 1.126 32.382 ( -5.082 0.235 -2.350) 5.604 32.838 ( 0.800 -1.721 -8.649) 8.855 33.516 ( -3.169 0.304 3.848) 4.994 34.000 ( 1.611 -3.125 -4.074) 5.381 35.481 ( 1.372 -0.010 2.204) 2.596 35.734 ( 1.670 0.400 5.707) 5.960 35.893 ( 2.102 0.795 -2.913) 3.679 36.188 ( -3.629 0.461 7.088) 7.976 36.616 ( 0.389 4.391 -2.668) 5.153 36.713 ( 0.425 -1.234 -5.186) 5.348 37.512 ( -5.888 3.097 21.805) 22.797 38.575 ( 5.388 -16.330 -6.578) 18.411 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 2.831 10.061 5.243) 11.693 0.980 ( -0.455 2.946 2.602) 3.957 1.336 ( -6.544 27.770 -4.124) 28.827 1.467 ( 7.063 26.809 10.723) 29.725 2.169 ( 2.326 25.282 19.997) 32.318 2.406 ( 7.881 1.299 -10.883) 13.499 2.608 ( -3.849 12.889 -13.589) 19.121 2.721 ( -1.653 -1.533 4.330) 4.882 3.025 ( -1.587 10.732 2.364) 11.103 3.115 ( 7.090 8.847 4.261) 12.111 3.211 ( -7.259 0.946 0.639) 7.348 3.412 ( -4.043 -7.029 6.130) 10.165 3.526 ( 5.805 -0.082 1.452) 5.985 3.672 ( -2.621 -16.781 -13.615) 21.768 3.800 ( 2.087 0.085 -2.845) 3.530 3.960 ( 2.395 -0.020 2.631) 3.557 4.074 ( 5.891 5.318 -2.644) 8.365 4.265 ( -6.443 -17.632 5.098) 19.452 4.374 ( -2.659 -3.649 2.403) 5.115 4.491 ( -0.967 -6.954 -2.419) 7.426 4.628 ( 0.096 -4.723 5.400) 7.175 4.785 ( -4.212 3.602 3.362) 6.482 5.001 ( -0.131 -4.132 1.028) 4.260 5.092 ( -5.276 0.090 -5.562) 7.667 5.176 ( -5.499 -5.104 5.964) 9.584 5.336 ( 2.852 -5.169 2.960) 6.604 5.481 ( -2.488 9.551 0.741) 9.897 5.755 ( 3.622 -2.207 -2.571) 4.960 5.868 ( -0.728 0.476 -3.407) 3.516 5.975 ( 4.541 -0.659 3.582) 5.821 6.181 ( 2.327 -5.213 -3.563) 6.729 6.355 ( -1.936 -1.626 -0.297) 2.545 6.409 ( -3.198 -12.109 -2.160) 12.709 6.542 ( 6.252 -4.098 -0.563) 7.497 6.655 ( 3.215 -3.341 4.680) 6.589 7.020 ( -1.285 5.153 -9.354) 10.756 7.302 ( -3.944 -4.310 -1.317) 5.989 7.376 ( 3.222 1.996 2.019) 4.294 7.489 ( 4.009 -3.206 1.116) 5.253 7.545 ( -1.571 -0.804 3.084) 3.554 8.800 ( -1.476 -1.691 -1.796) 2.875 8.830 ( 1.735 -2.889 -1.190) 3.574 9.071 ( -0.440 3.568 2.529) 4.396 9.100 ( 0.119 0.118 0.425) 0.457 9.290 ( 0.135 -1.611 1.589) 2.267 9.457 ( -0.606 -0.876 -2.274) 2.511 9.587 ( -0.003 -8.067 1.061) 8.136 9.770 ( 2.571 -6.686 -2.524) 7.595 10.086 ( -3.603 4.266 5.294) 7.694 10.322 ( 1.061 7.690 -1.290) 7.869 10.488 ( 1.123 1.399 4.833) 5.155 10.818 ( 0.228 4.000 -3.116) 5.076 11.067 ( -0.799 -3.545 1.265) 3.848 11.141 ( 0.138 -4.764 -0.092) 4.767 11.528 ( 1.120 -2.204 -2.628) 3.608 11.569 ( -1.683 -0.398 -3.477) 3.883 13.152 ( 1.456 -4.974 0.502) 5.207 13.198 ( -2.029 -5.679 -0.732) 6.075 13.291 ( 0.581 3.283 0.418) 3.360 13.347 ( -1.040 3.468 -0.952) 3.743 13.679 ( -2.546 -4.675 0.360) 5.335 13.698 ( 2.968 -1.525 0.232) 3.345 13.870 ( 3.697 7.663 0.503) 8.522 13.895 ( -4.479 5.522 -0.288) 7.116 14.226 ( 3.963 7.277 1.727) 8.464 14.383 ( -3.578 5.686 -2.311) 7.105 14.833 ( 2.171 11.137 4.315) 12.140 15.195 ( -1.750 -0.128 -3.052) 3.521 15.439 ( -0.480 7.832 1.269) 7.948 15.599 ( 0.164 -1.022 0.616) 1.205 15.713 ( 1.248 3.178 -1.266) 3.641 15.893 ( -2.995 10.783 -11.035) 15.717 16.565 ( 4.221 -0.457 0.649) 4.295 16.607 ( -1.298 1.700 -1.278) 2.491 16.683 ( 1.028 1.557 0.425) 1.914 16.717 ( 0.190 1.618 0.464) 1.694 19.345 ( -3.032 -8.034 0.424) 8.598 19.447 ( 3.072 -5.581 -2.998) 7.041 20.148 ( -1.386 4.972 3.425) 6.195 20.583 ( 1.801 6.893 -9.976) 12.259 21.144 ( -3.595 -3.934 6.975) 8.778 21.579 ( 1.705 -2.373 -5.542) 6.265 23.088 ( -6.145 -3.437 6.247) 9.413 23.476 ( 2.778 -3.105 -3.581) 5.494 26.753 ( -0.742 0.068 0.155) 0.761 26.763 ( 0.892 0.192 -0.064) 0.915 29.375 ( 10.862 4.081 1.927) 11.762 29.392 ( -12.259 3.999 2.245) 13.089 29.668 ( 1.639 5.998 0.942) 6.289 30.777 ( -5.368 6.039 -14.558) 16.650 30.795 ( -0.894 7.292 -12.538) 14.532 30.842 ( -0.758 3.288 -7.458) 8.185 31.170 ( -3.653 5.474 2.500) 7.040 31.584 ( 0.895 14.357 -11.471) 18.399 32.174 ( -1.474 -0.354 0.669) 1.657 32.234 ( 0.077 2.448 -1.051) 2.666 32.412 ( 4.963 -0.326 3.886) 6.311 32.773 ( 1.815 2.276 -13.217) 13.533 33.511 ( -1.283 0.383 6.309) 6.450 34.022 ( 0.726 -3.221 -5.197) 6.157 35.514 ( 0.822 0.116 3.743) 3.834 35.826 ( 2.030 0.922 0.796) 2.367 35.961 ( 8.740 -1.289 6.922) 11.223 36.173 ( -3.058 0.031 6.281) 6.985 36.521 ( -0.662 7.215 -7.373) 10.337 36.715 ( 1.807 -1.258 -4.718) 5.206 37.631 ( -7.893 -13.963 35.110) 38.600 38.777 ( 2.698 -16.870 -5.402) 17.918 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 10.084 8.308 2.021) 13.221 0.991 ( -2.388 3.511 -1.582) 4.531 1.160 ( 13.615 12.112 13.009) 22.390 1.561 ( 22.345 16.202 14.831) 31.333 2.099 ( 1.122 14.882 7.126) 16.538 2.382 ( 7.587 16.286 -11.698) 21.439 2.396 ( 5.289 11.356 -4.384) 13.272 2.777 ( 5.329 1.800 5.961) 8.196 2.907 ( -1.791 5.680 3.410) 6.863 3.117 ( -7.073 -12.304 -4.026) 14.752 3.189 ( 12.713 13.545 -1.945) 18.678 3.417 ( -3.454 -0.594 0.539) 3.546 3.543 ( 0.768 6.239 3.719) 7.304 3.748 ( 0.435 -14.733 -7.642) 16.603 3.855 ( 0.751 -2.485 3.972) 4.745 4.009 ( -5.717 -2.235 1.851) 6.412 4.115 ( 7.111 4.395 -2.843) 8.830 4.276 ( -7.449 -8.989 -0.719) 11.696 4.380 ( -2.132 -6.065 -3.389) 7.268 4.544 ( -0.787 -6.231 -0.464) 6.297 4.660 ( -4.442 5.831 4.466) 8.584 4.706 ( -0.838 -4.972 5.426) 7.406 4.982 ( -3.137 2.018 0.720) 3.799 5.034 ( -7.654 -4.974 2.529) 9.472 5.115 ( -6.673 -2.593 -1.082) 7.240 5.334 ( -3.885 5.385 -1.633) 6.838 5.432 ( -0.329 -0.794 2.811) 2.939 5.758 ( -6.450 0.262 -4.483) 7.859 5.851 ( 2.923 -2.175 0.536) 3.683 6.030 ( 3.715 3.775 -2.884) 6.031 6.269 ( -1.943 -8.601 1.611) 8.963 6.328 ( -2.963 -1.081 3.254) 4.532 6.411 ( -8.683 -10.507 -3.457) 14.062 6.633 ( -0.047 -2.800 -4.809) 5.565 6.808 ( 5.973 -6.181 3.021) 9.111 6.932 ( -1.215 -3.090 -5.885) 6.757 7.220 ( -11.025 0.957 5.845) 12.515 7.443 ( 1.383 -2.944 2.155) 3.902 7.484 ( -4.917 -0.419 2.343) 5.463 7.615 ( 5.638 -6.143 -1.269) 8.434 8.798 ( -0.499 -4.363 -1.483) 4.635 8.909 ( 4.001 -1.989 -1.071) 4.595 9.062 ( 0.006 -4.517 1.195) 4.673 9.254 ( 14.267 2.862 0.956) 14.582 9.319 ( 2.332 0.031 1.904) 3.011 9.434 ( -0.548 0.823 -2.646) 2.825 9.667 ( 3.017 -4.931 -1.500) 5.972 9.900 ( 5.018 -7.373 -0.941) 8.968 9.999 ( -6.083 2.946 3.798) 7.752 10.262 ( 0.796 5.927 -0.096) 5.981 10.490 ( -4.921 1.738 4.719) 7.036 10.682 ( -6.088 5.891 -3.101) 9.022 11.148 ( 6.004 -2.807 0.881) 6.686 11.240 ( 4.805 -4.557 0.078) 6.623 11.562 ( 3.989 -0.962 -2.685) 4.904 11.591 ( 4.788 -0.804 -1.973) 5.241 13.148 ( -8.372 -5.467 -1.187) 10.069 13.177 ( -5.350 -3.167 0.187) 6.220 13.264 ( 1.324 2.579 0.653) 2.972 13.338 ( 3.822 -1.284 -0.410) 4.053 13.622 ( -7.651 -4.761 -0.016) 9.011 13.655 ( -3.319 6.400 0.157) 7.211 13.805 ( 2.170 0.945 0.975) 2.560 13.974 ( 3.633 0.784 0.178) 3.720 14.220 ( 7.021 8.985 -0.431) 11.411 14.320 ( 1.164 6.217 -0.587) 6.352 14.707 ( -4.387 14.136 4.328) 15.420 15.059 ( -4.483 10.110 -6.511) 12.834 15.395 ( 2.699 5.187 0.417) 5.862 15.570 ( -3.333 12.527 -7.924) 15.193 15.669 ( 2.052 0.703 -0.167) 2.176 15.733 ( 4.126 1.000 0.278) 4.254 16.544 ( -0.081 2.686 -1.584) 3.119 16.649 ( 1.454 0.044 -0.888) 1.705 16.706 ( 2.146 0.391 1.759) 2.802 16.769 ( 8.641 0.520 -2.988) 9.157 19.345 ( -5.950 -7.303 -1.279) 9.507 19.523 ( 0.195 -5.025 -0.936) 5.115 20.084 ( -2.311 4.728 2.643) 5.889 20.468 ( 1.661 8.141 -7.815) 11.406 21.168 ( -3.852 -3.478 7.379) 9.021 21.592 ( 1.296 -2.049 -4.219) 4.866 23.104 ( -1.105 -3.749 4.703) 6.115 23.522 ( 2.606 -0.936 -2.908) 4.016 26.729 ( -1.591 -0.397 0.063) 1.641 26.784 ( 1.273 0.629 0.020) 1.421 29.136 ( -10.697 8.246 -0.369) 13.511 29.560 ( 14.121 2.804 4.133) 14.978 29.604 ( -2.140 11.635 0.807) 11.858 30.390 ( 17.007 19.122 -34.075) 42.615 30.743 ( -2.562 2.433 0.684) 3.599 30.822 ( -0.012 1.544 -0.830) 1.754 31.086 ( -5.015 2.301 2.487) 6.052 31.363 ( -5.007 10.953 -4.965) 13.026 32.177 ( 0.670 -0.373 0.033) 0.768 32.222 ( 1.585 2.128 -0.346) 2.676 32.507 ( 3.726 0.110 0.873) 3.829 32.749 ( 9.027 3.632 -11.134) 14.786 33.530 ( -1.726 0.209 7.658) 7.853 34.023 ( 0.125 -2.706 -6.248) 6.810 35.562 ( 1.902 -0.123 4.909) 5.266 35.801 ( -0.626 1.557 -4.477) 4.782 36.152 ( 1.650 -0.010 4.852) 5.125 36.174 ( 1.668 -0.687 3.942) 4.335 36.401 ( 2.926 6.200 -8.792) 11.149 36.727 ( 2.077 -0.566 -5.088) 5.525 37.891 ( -17.628 -25.861 38.017) 49.243 38.907 ( -3.095 -14.276 -4.528) 15.293 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.572 0.000 -1.106) 1.922 1.132 ( -4.283 -0.000 -0.650) 4.332 1.883 ( 10.759 0.000 -0.384) 10.766 2.229 ( 1.020 0.000 -1.844) 2.107 2.439 ( -2.209 -0.000 3.909) 4.490 2.469 ( 6.648 0.000 0.852) 6.702 2.829 ( -13.632 -0.000 -5.183) 14.584 2.902 ( 9.957 0.000 -2.316) 10.223 3.072 ( 7.289 0.000 -3.562) 8.113 3.103 ( -0.852 -0.000 -3.774) 3.869 3.225 ( -15.907 -0.000 13.478) 20.849 3.357 ( 8.769 0.000 12.242) 15.059 3.375 ( 5.445 0.000 -3.866) 6.678 3.534 ( -2.602 -0.000 -7.432) 7.874 3.802 ( -14.178 -0.000 -4.076) 14.752 3.899 ( -7.005 -0.000 1.715) 7.212 3.964 ( 4.978 0.000 -1.420) 5.176 4.260 ( -1.499 -0.000 -0.094) 1.502 4.310 ( -7.455 -0.000 -6.367) 9.804 4.427 ( -2.226 -0.000 1.135) 2.498 4.618 ( 4.058 0.000 8.650) 9.555 4.678 ( -1.545 -0.000 -0.731) 1.709 4.739 ( 3.709 0.000 4.230) 5.626 4.899 ( 6.084 0.000 -1.975) 6.396 5.178 ( 0.443 0.000 16.093) 16.099 5.297 ( 6.196 0.000 0.372) 6.207 5.565 ( 9.130 0.000 -1.215) 9.211 5.640 ( 2.525 0.000 -0.584) 2.592 5.852 ( 3.406 0.000 1.316) 3.652 6.040 ( -4.661 -0.000 -4.333) 6.364 6.161 ( -3.581 -0.000 1.628) 3.933 6.165 ( 3.618 0.000 -6.100) 7.092 6.254 ( 1.397 0.000 -4.629) 4.835 6.281 ( -6.231 -0.000 0.706) 6.270 6.449 ( 4.336 0.000 2.737) 5.127 7.091 ( 10.268 0.000 -0.169) 10.270 7.290 ( -2.871 -0.000 3.036) 4.179 7.382 ( -0.985 -0.000 -6.541) 6.615 7.486 ( -2.497 -0.000 -0.694) 2.592 7.531 ( -0.252 -0.000 -1.089) 1.118 8.856 ( -1.752 -0.000 -4.368) 4.706 8.964 ( 2.478 0.000 1.558) 2.928 9.141 ( -1.214 -0.000 -9.359) 9.437 9.151 ( -5.026 -0.000 6.418) 8.152 9.307 ( -11.457 -0.000 3.541) 11.992 9.449 ( -1.173 -0.000 -0.643) 1.338 9.570 ( -8.187 -0.000 1.770) 8.376 9.674 ( -7.350 -0.000 -0.172) 7.352 10.235 ( 7.429 0.000 1.797) 7.643 10.346 ( 7.034 0.000 1.821) 7.266 10.474 ( 3.627 0.000 1.637) 3.979 10.570 ( 3.849 0.000 -4.144) 5.655 11.232 ( -11.157 -0.000 1.638) 11.277 11.323 ( -9.595 -0.000 -1.244) 9.675 11.590 ( -4.980 -0.000 -3.349) 6.001 11.736 ( -6.728 -0.000 0.451) 6.743 12.775 ( 11.033 0.000 -2.154) 11.242 12.861 ( 8.224 0.000 2.214) 8.517 13.250 ( 3.333 0.000 -0.048) 3.333 13.390 ( 4.662 0.000 0.646) 4.706 13.581 ( -2.485 -0.000 1.360) 2.833 13.651 ( 0.124 0.000 -1.923) 1.927 13.941 ( 2.123 0.000 0.473) 2.175 14.011 ( 0.414 0.000 -0.397) 0.573 14.497 ( 1.037 0.000 -1.989) 2.244 14.505 ( 5.419 0.000 2.066) 5.799 14.989 ( -2.406 -0.000 2.221) 3.274 15.140 ( 5.621 0.000 -0.079) 5.621 15.601 ( -4.227 -0.000 2.501) 4.912 15.633 ( 2.359 0.000 -3.358) 4.104 15.833 ( 1.175 0.000 2.725) 2.967 15.926 ( 6.587 0.000 -2.857) 7.180 16.627 ( 0.801 0.000 0.239) 0.836 16.643 ( -2.883 -0.000 -0.922) 3.027 16.725 ( -0.076 -0.000 1.365) 1.367 16.790 ( -3.663 -0.000 -1.725) 4.049 19.189 ( -1.238 -0.000 3.713) 3.914 19.275 ( 1.802 0.000 -5.322) 5.618 20.229 ( 1.850 0.000 2.293) 2.946 20.652 ( 6.097 0.000 -3.390) 6.976 21.120 ( -4.593 -0.000 5.637) 7.271 21.550 ( 0.107 0.000 -4.420) 4.421 23.175 ( -8.468 -0.000 9.492) 12.720 23.361 ( 1.489 0.000 -6.635) 6.799 26.744 ( 0.924 0.000 -0.573) 1.087 26.768 ( -0.526 -0.000 0.584) 0.786 29.410 ( 3.478 0.000 -0.238) 3.486 29.559 ( -8.221 -0.000 3.406) 8.898 29.910 ( -7.477 -0.000 -0.888) 7.529 30.654 ( 19.681 0.000 -1.243) 19.720 30.846 ( 0.145 0.000 -0.630) 0.646 30.852 ( 0.994 0.000 -0.024) 0.994 31.505 ( -2.609 -0.000 8.609) 8.996 31.672 ( 17.004 0.000 -7.332) 18.517 32.151 ( -0.166 -0.000 3.673) 3.677 32.312 ( -0.845 -0.000 -0.371) 0.923 32.602 ( -7.826 -0.000 -10.693) 13.251 32.732 ( 2.404 0.000 4.203) 4.842 33.557 ( -3.833 -0.000 3.488) 5.182 33.937 ( 2.218 0.000 -3.682) 4.298 35.455 ( 0.688 0.000 -0.369) 0.781 35.749 ( -2.595 -0.000 -3.607) 4.443 35.885 ( 2.580 0.000 -2.412) 3.532 36.217 ( -4.263 -0.000 8.034) 9.095 36.688 ( 0.108 0.000 0.152) 0.186 36.699 ( 1.222 0.000 -4.837) 4.989 37.694 ( -6.331 -0.000 15.539) 16.779 38.230 ( 2.472 0.000 -11.465) 11.729 ======================= Grid point 98 (44/93) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.324 1.534 -0.473) 2.081 1.049 ( -3.555 0.974 -0.321) 3.700 2.001 ( 7.890 7.942 -9.844) 14.907 2.211 ( 4.444 -1.689 -3.160) 5.709 2.329 ( -3.145 21.860 -0.625) 22.094 2.563 ( 0.367 0.696 2.086) 2.229 2.783 ( 2.401 -9.769 6.675) 12.073 2.899 ( -2.993 10.701 5.994) 12.626 3.016 ( -6.701 1.546 -3.748) 7.832 3.150 ( 1.079 -2.786 0.955) 3.137 3.206 ( 3.779 -7.076 5.214) 9.567 3.351 ( 1.384 5.742 -6.032) 8.442 3.505 ( 1.007 2.839 -1.479) 3.356 3.558 ( 0.820 1.125 6.153) 6.308 3.629 ( 0.385 -4.517 -3.170) 5.531 3.858 ( -8.164 -10.528 3.984) 13.906 4.009 ( 2.138 1.025 -0.684) 2.467 4.157 ( -6.287 -0.943 0.244) 6.362 4.296 ( 1.390 -5.342 0.079) 5.521 4.419 ( 0.733 -0.070 -1.312) 1.505 4.621 ( 1.212 9.491 2.513) 9.893 4.710 ( -1.285 -3.155 6.279) 7.144 4.827 ( 3.230 -2.506 2.116) 4.603 4.990 ( 2.852 -4.782 -0.512) 5.591 5.218 ( -5.561 -0.407 8.649) 10.291 5.291 ( -3.473 1.289 -5.772) 6.858 5.679 ( 5.124 -0.533 -1.494) 5.364 5.701 ( 5.572 0.851 0.717) 5.682 5.887 ( -1.418 2.121 -2.206) 3.373 5.956 ( -2.935 -1.916 4.221) 5.486 6.063 ( -0.761 1.507 -4.975) 5.254 6.173 ( -3.037 -3.149 0.985) 4.484 6.281 ( 4.559 -0.706 0.641) 4.658 6.308 ( 2.405 -5.758 -3.450) 7.130 6.544 ( 4.408 -0.116 2.727) 5.185 7.187 ( 1.374 0.482 -2.321) 2.740 7.267 ( -3.297 -3.656 1.873) 5.267 7.316 ( 1.393 2.360 -7.854) 8.318 7.499 ( 4.081 0.977 0.160) 4.200 7.533 ( 2.908 3.029 -1.121) 4.346 8.805 ( 0.024 1.520 -2.862) 3.241 8.918 ( -4.941 2.685 -2.060) 5.989 9.087 ( -0.341 1.726 -0.002) 1.760 9.210 ( 1.279 -1.194 2.908) 3.394 9.226 ( 0.217 -8.153 2.187) 8.444 9.372 ( -13.165 2.043 0.800) 13.346 9.433 ( -4.914 -2.594 -1.411) 5.733 9.629 ( -0.348 -3.003 -0.880) 3.148 10.292 ( 0.241 7.495 4.012) 8.504 10.412 ( 2.070 -2.623 4.048) 5.249 10.533 ( 4.236 6.184 -1.898) 7.733 10.675 ( 7.632 -6.727 -2.333) 10.438 11.071 ( -9.900 -1.078 1.277) 10.040 11.173 ( -6.364 1.141 -1.700) 6.685 11.509 ( -2.475 -0.781 -3.247) 4.157 11.627 ( -6.213 -0.576 -1.312) 6.376 12.950 ( 9.389 -1.703 -1.114) 9.607 13.021 ( 6.627 -2.499 1.323) 7.205 13.321 ( 5.390 1.224 0.271) 5.534 13.473 ( 3.882 0.695 -0.113) 3.945 13.530 ( -1.114 1.172 1.042) 1.924 13.645 ( -1.791 -2.691 -1.322) 3.493 13.968 ( 2.532 3.597 0.245) 4.406 14.011 ( 0.362 -0.651 -0.011) 0.745 14.444 ( -3.456 2.945 -1.898) 4.921 14.577 ( 0.156 2.023 2.587) 3.288 14.936 ( -0.941 1.757 0.830) 2.159 15.191 ( 1.061 0.596 0.797) 1.455 15.549 ( -3.179 -0.084 1.552) 3.539 15.656 ( 2.327 0.759 -2.612) 3.580 15.833 ( -0.652 3.868 3.158) 5.036 16.025 ( 7.489 1.189 -2.665) 8.037 16.584 ( -2.348 1.552 -0.841) 2.937 16.642 ( -0.387 -0.745 -0.144) 0.852 16.733 ( 0.546 1.120 0.679) 1.419 16.737 ( -1.812 -0.601 -0.396) 1.950 19.192 ( -1.826 -2.284 2.308) 3.725 19.297 ( 3.211 -2.116 -4.907) 6.234 20.255 ( 0.711 2.185 3.188) 3.930 20.707 ( 4.642 1.596 -5.331) 7.247 21.088 ( -4.004 -1.008 5.437) 6.827 21.534 ( 1.315 -0.700 -5.538) 5.735 23.089 ( -9.432 -1.438 8.224) 12.596 23.366 ( 2.632 -1.772 -5.213) 6.103 26.748 ( 0.988 1.061 0.003) 1.450 26.771 ( -0.612 -0.896 0.094) 1.089 29.396 ( 1.307 5.681 1.520) 6.024 29.501 ( -6.343 -4.426 2.042) 8.000 29.827 ( -2.056 2.235 1.987) 3.629 30.836 ( 1.971 1.469 -0.119) 2.461 30.849 ( -0.067 0.326 0.086) 0.344 30.928 ( 12.072 -1.704 -9.535) 15.478 31.440 ( -7.245 3.922 4.067) 9.187 31.849 ( 13.226 3.781 -10.586) 17.358 32.204 ( 1.830 -0.389 5.523) 5.832 32.290 ( -0.355 1.087 -1.034) 1.542 32.400 ( -7.949 1.180 -5.150) 9.544 32.776 ( -1.137 -2.947 -1.150) 3.362 33.522 ( -2.546 0.207 3.463) 4.303 33.953 ( 1.659 -1.309 -3.844) 4.387 35.481 ( 1.379 0.007 2.290) 2.673 35.742 ( 1.612 0.301 6.559) 6.761 35.903 ( 2.140 0.185 -3.666) 4.249 36.196 ( -3.994 0.227 7.062) 8.116 36.669 ( -0.741 1.297 -0.325) 1.529 36.692 ( 0.487 -0.837 -4.699) 4.797 37.640 ( -6.306 6.518 11.607) 14.730 38.286 ( 4.903 -10.093 -8.328) 13.973 ======================= Grid point 99 (45/93) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.579 3.183 1.998) 3.802 1.031 ( 0.835 2.174 -0.796) 2.462 1.858 ( -0.781 22.162 -10.866) 24.694 2.005 ( -1.155 25.307 9.637) 27.104 2.322 ( 8.644 -1.406 -17.089) 19.202 2.582 ( -1.001 -2.511 3.620) 4.518 2.711 ( 1.171 17.647 14.070) 22.600 2.821 ( -9.524 0.811 0.544) 9.574 3.084 ( 2.818 -9.436 7.506) 12.383 3.205 ( -1.996 -7.305 -3.629) 8.397 3.299 ( -1.181 1.200 -2.541) 3.048 3.331 ( 7.755 8.773 -2.496) 11.973 3.488 ( -3.270 1.772 0.917) 3.831 3.537 ( 9.195 8.097 2.663) 12.538 3.699 ( -1.128 -9.527 0.281) 9.598 3.867 ( -6.302 -13.112 4.433) 15.208 4.024 ( 0.214 -0.338 0.875) 0.962 4.143 ( -2.606 -4.885 0.709) 5.582 4.350 ( -0.377 -1.903 -1.785) 2.636 4.434 ( 3.607 4.305 -0.956) 5.697 4.574 ( -0.183 2.559 5.907) 6.440 4.762 ( -3.532 -5.129 5.373) 8.225 4.894 ( -0.673 -4.807 -0.508) 4.881 5.063 ( -1.122 -4.254 1.407) 4.619 5.088 ( -10.816 -1.319 -0.892) 10.933 5.237 ( 0.639 -4.097 -4.354) 6.013 5.691 ( -0.160 7.152 -1.702) 7.353 5.750 ( 4.058 3.778 0.694) 5.588 5.856 ( 0.339 -1.609 -0.179) 1.654 5.976 ( 1.338 0.683 5.938) 6.125 6.074 ( 0.591 -5.751 -5.437) 7.937 6.193 ( -2.865 -7.945 0.450) 8.458 6.322 ( -0.031 -1.092 -1.189) 1.615 6.428 ( 5.250 -5.836 0.114) 7.851 6.627 ( 2.864 -0.886 5.002) 5.832 7.105 ( -3.584 2.809 -7.591) 8.852 7.238 ( -4.290 -3.487 -2.289) 5.983 7.345 ( 6.802 -1.424 -4.781) 8.435 7.528 ( 0.945 3.372 0.497) 3.537 7.559 ( 1.552 2.456 2.654) 3.935 8.801 ( -2.705 0.822 -1.552) 3.225 8.813 ( 2.623 1.502 -2.514) 3.931 9.110 ( -7.377 1.954 0.278) 7.637 9.152 ( 4.844 2.985 1.776) 5.960 9.233 ( 0.170 -2.929 1.627) 3.355 9.376 ( -2.331 -6.681 -1.175) 7.173 9.432 ( 3.489 -6.952 1.644) 7.950 9.664 ( 1.465 -3.150 -2.025) 4.021 10.210 ( -3.015 7.310 4.688) 9.193 10.477 ( -1.812 2.078 1.159) 2.990 10.497 ( 2.746 4.300 1.893) 5.442 10.817 ( 1.714 -4.504 -2.568) 5.461 10.994 ( -1.294 -3.007 1.217) 3.493 11.100 ( 0.307 0.816 -1.315) 1.578 11.497 ( 2.171 -0.839 -2.364) 3.318 11.553 ( -1.778 -1.033 -3.502) 4.061 13.066 ( 2.046 -3.236 0.510) 3.862 13.095 ( -2.255 -3.966 -0.237) 4.568 13.363 ( 1.003 3.576 0.598) 3.762 13.423 ( -1.416 3.946 -0.648) 4.242 13.590 ( -2.409 -4.266 0.175) 4.903 13.650 ( 2.816 -2.882 -0.592) 4.073 13.979 ( 2.432 3.130 0.081) 3.965 13.983 ( -3.140 3.190 0.212) 4.481 14.383 ( 4.714 6.906 1.428) 8.482 14.488 ( -4.787 4.179 -1.512) 6.532 14.957 ( 2.299 2.626 3.485) 4.932 15.176 ( -2.999 -1.003 -1.429) 3.470 15.528 ( -0.529 0.027 1.298) 1.402 15.648 ( 1.119 4.170 -1.117) 4.460 15.787 ( -1.068 4.637 2.209) 5.247 16.053 ( 0.787 5.185 -4.302) 6.784 16.562 ( 2.392 0.601 0.584) 2.535 16.624 ( -1.186 -0.021 -1.496) 1.909 16.722 ( -0.118 1.876 0.451) 1.933 16.740 ( 1.358 0.503 0.710) 1.613 19.203 ( -3.107 -5.384 0.583) 6.243 19.352 ( 3.365 -3.492 -3.659) 6.075 20.246 ( -0.754 4.064 3.815) 5.625 20.691 ( 1.540 3.736 -7.390) 8.423 21.084 ( -2.765 -2.091 5.570) 6.560 21.536 ( 1.914 -1.603 -6.062) 6.556 23.023 ( -6.502 -2.618 6.274) 9.407 23.414 ( 3.826 -2.589 -3.440) 5.760 26.756 ( -0.618 0.110 0.190) 0.656 26.766 ( 0.716 0.121 -0.041) 0.727 29.399 ( -0.669 0.594 1.489) 1.737 29.460 ( 0.379 1.455 2.223) 2.684 29.800 ( 0.777 5.630 4.752) 7.409 30.824 ( -1.889 1.470 -1.693) 2.932 30.843 ( 0.708 0.725 -0.179) 1.028 30.937 ( -0.679 2.684 -19.350) 19.547 31.292 ( -6.011 5.798 3.487) 9.051 31.840 ( 2.233 9.239 -13.434) 16.457 32.169 ( -4.402 0.462 2.002) 4.858 32.275 ( 0.260 1.462 -1.166) 1.888 32.415 ( 7.750 0.632 4.641) 9.056 32.749 ( -1.456 -3.657 -7.716) 8.662 33.522 ( -0.559 0.615 5.199) 5.265 33.965 ( 0.833 -2.216 -4.612) 5.184 35.517 ( 0.847 0.136 4.029) 4.119 35.853 ( 3.476 1.706 5.109) 6.410 35.934 ( 5.235 -1.564 4.386) 7.006 36.175 ( -3.529 0.110 6.449) 7.352 36.622 ( -1.377 2.792 -3.727) 4.856 36.689 ( 1.789 -1.101 -4.606) 5.063 37.548 ( -7.989 2.710 14.713) 16.960 38.445 ( 4.077 -14.594 -6.633) 16.541 ======================= Grid point 100 (46/93) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.820 1.483 -0.268) 2.363 1.026 ( 3.232 4.162 2.380) 5.781 1.554 ( 5.127 22.213 -3.307) 23.036 1.919 ( 7.182 17.416 10.352) 21.496 2.269 ( -0.510 5.964 -13.992) 15.219 2.611 ( 2.539 2.740 -4.473) 5.827 2.630 ( -1.147 4.699 8.439) 9.727 2.827 ( 7.142 3.786 6.293) 10.245 2.979 ( -12.451 7.177 -0.167) 14.372 3.151 ( 0.368 10.032 3.904) 10.771 3.354 ( -2.327 -0.277 4.446) 5.026 3.390 ( 6.529 -12.443 -3.596) 14.504 3.523 ( 9.063 6.856 -3.959) 12.034 3.590 ( 1.652 0.416 4.673) 4.974 3.756 ( -1.285 -6.776 -0.986) 6.967 4.009 ( 0.286 -0.170 4.292) 4.305 4.038 ( -2.977 -12.761 1.891) 13.240 4.138 ( 1.106 -4.553 -4.169) 6.272 4.296 ( -5.867 2.967 -2.870) 7.174 4.430 ( 2.708 -2.862 -1.701) 4.292 4.640 ( 1.580 -2.136 7.166) 7.643 4.743 ( -4.342 0.513 3.866) 5.837 4.909 ( -4.138 -6.224 -1.611) 7.646 4.952 ( -8.464 -3.632 1.423) 9.320 5.054 ( -4.355 -2.925 -0.039) 5.246 5.315 ( 0.999 -7.304 -0.792) 7.415 5.566 ( -1.811 12.476 0.615) 12.622 5.751 ( -4.979 0.266 1.453) 5.194 5.858 ( 2.035 1.969 -1.605) 3.255 6.044 ( 1.252 -2.679 3.190) 4.349 6.112 ( 1.502 -5.096 -6.873) 8.687 6.214 ( -4.310 -7.933 -2.211) 9.295 6.312 ( -2.040 -0.996 2.214) 3.171 6.546 ( 1.224 -5.613 -1.418) 5.917 6.720 ( 2.093 -2.791 6.447) 7.330 6.964 ( -2.989 3.602 -7.630) 8.951 7.213 ( -1.608 -2.107 -1.314) 2.958 7.457 ( 3.572 0.552 -1.288) 3.837 7.482 ( -3.549 1.178 0.091) 3.740 7.516 ( -0.937 -0.771 1.092) 1.632 8.750 ( 0.619 -0.167 -2.279) 2.368 8.884 ( 6.497 -0.030 -1.582) 6.687 8.993 ( -4.677 -2.411 0.412) 5.278 9.275 ( 0.684 -3.703 1.956) 4.243 9.320 ( 13.202 3.425 1.137) 13.686 9.424 ( 2.148 -2.725 -2.065) 4.037 9.550 ( 4.086 -5.591 0.538) 6.946 9.733 ( 1.431 -7.492 -0.150) 7.629 10.117 ( -2.696 7.234 3.038) 8.296 10.387 ( -2.130 6.252 0.097) 6.606 10.501 ( -4.023 -0.327 4.150) 5.789 10.770 ( -5.423 1.122 -2.763) 6.189 11.091 ( 6.917 -2.547 0.378) 7.381 11.161 ( 6.479 -1.989 -0.225) 6.781 11.541 ( 4.015 -0.915 -3.636) 5.494 11.578 ( 5.953 -0.764 -1.791) 6.264 13.031 ( -10.031 -5.330 -1.119) 11.414 13.088 ( -5.171 -4.817 0.949) 7.131 13.302 ( -1.691 2.036 0.713) 2.741 13.385 ( 0.727 3.820 -0.683) 3.949 13.539 ( -6.735 -3.277 0.065) 7.491 13.725 ( 1.109 -0.727 0.416) 1.390 13.862 ( -1.658 4.944 -0.156) 5.217 14.003 ( 0.662 1.628 0.243) 1.775 14.387 ( 2.495 6.241 -2.136) 7.052 14.446 ( 5.624 6.947 2.198) 9.204 14.921 ( -5.858 6.836 3.878) 9.802 15.121 ( -1.607 -0.413 -2.197) 2.753 15.530 ( 1.229 4.123 1.112) 4.444 15.611 ( 0.428 2.281 -0.272) 2.336 15.753 ( 0.065 2.008 -0.707) 2.130 15.900 ( -3.446 11.419 -3.450) 12.417 16.593 ( 0.208 1.728 -1.823) 2.520 16.637 ( 3.657 -1.161 0.259) 3.846 16.715 ( 0.714 0.786 1.134) 1.554 16.779 ( 4.436 0.291 -0.482) 4.472 19.202 ( -4.158 -6.263 -1.183) 7.610 19.421 ( 1.694 -4.629 -1.792) 5.245 20.194 ( -2.402 5.647 3.651) 7.141 20.602 ( -0.329 5.065 -7.690) 9.215 21.107 ( -1.836 -2.458 5.921) 6.668 21.550 ( 1.946 -1.964 -5.297) 5.975 23.025 ( -1.347 -3.764 4.050) 5.691 23.489 ( 4.150 -2.151 -1.812) 5.013 26.730 ( -1.617 0.523 0.094) 1.702 26.788 ( 1.315 -0.227 0.037) 1.335 29.291 ( -7.836 6.718 1.135) 10.384 29.573 ( 9.492 -0.650 2.541) 9.848 29.805 ( 4.157 7.722 6.126) 10.698 30.612 ( -6.426 4.846 -22.031) 23.455 30.814 ( -0.478 3.315 -2.285) 4.055 30.848 ( 0.657 0.896 -1.077) 1.547 31.170 ( -5.315 5.744 1.650) 7.998 31.624 ( -4.502 13.029 -7.494) 15.690 32.156 ( -0.176 -1.449 1.015) 1.778 32.265 ( 1.119 1.867 -0.382) 2.210 32.524 ( 3.476 1.579 1.106) 3.975 32.773 ( 8.079 -1.578 -7.983) 11.467 33.540 ( -1.070 0.799 6.167) 6.310 33.968 ( 0.465 -2.563 -5.440) 6.031 35.562 ( 1.447 0.121 5.377) 5.570 35.839 ( -0.063 2.125 -4.790) 5.241 36.135 ( 6.509 -1.595 10.932) 12.823 36.163 ( -2.601 -0.369 5.934) 6.489 36.525 ( 0.305 5.345 -9.914) 11.267 36.708 ( 2.196 -1.253 -4.213) 4.914 37.546 ( -10.738 -8.717 23.222) 27.029 38.600 ( 1.035 -14.734 -5.912) 15.909 ======================= Grid point 101 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.918 2.616 -1.818) 3.315 1.054 ( 3.163 2.260 -1.472) 4.157 1.584 ( 15.989 12.242 3.373) 20.418 1.984 ( -2.312 -1.524 -11.810) 12.130 2.132 ( 13.628 11.012 11.746) 21.094 2.594 ( 8.062 9.469 -8.860) 15.270 2.677 ( 5.282 8.914 9.540) 14.085 2.732 ( -10.851 -2.224 0.151) 11.077 2.986 ( 4.845 -2.143 3.694) 6.458 3.152 ( 8.402 5.912 3.245) 10.774 3.296 ( -5.629 -4.575 -1.926) 7.505 3.425 ( 1.299 12.699 -9.787) 16.085 3.611 ( -1.486 -0.072 6.149) 6.327 3.673 ( 9.284 -8.191 -0.798) 12.406 3.785 ( -5.983 -3.217 1.786) 7.024 3.977 ( 0.131 4.602 6.304) 7.806 4.039 ( -9.834 -9.543 3.340) 14.105 4.153 ( -4.110 -3.995 -1.719) 5.984 4.336 ( 11.137 -6.355 -10.362) 16.486 4.504 ( 2.772 -1.964 -0.665) 3.462 4.663 ( -4.401 5.242 2.473) 7.278 4.736 ( -0.244 -0.705 7.481) 7.518 4.849 ( -3.143 -4.225 2.914) 6.019 4.939 ( -2.311 -2.641 1.231) 3.719 5.008 ( -5.089 -2.349 1.145) 5.721 5.320 ( -5.149 1.638 -4.113) 6.791 5.415 ( -4.804 6.054 2.272) 8.055 5.606 ( -9.644 -0.880 0.466) 9.695 5.891 ( 3.015 1.655 -0.882) 3.550 6.048 ( -7.204 -5.204 -2.698) 9.288 6.122 ( 1.466 -0.662 -5.698) 5.920 6.204 ( -4.203 -7.048 0.241) 8.210 6.315 ( -1.297 -0.533 3.444) 3.719 6.523 ( -4.990 -1.664 -6.499) 8.361 6.818 ( -3.156 -6.568 7.215) 10.255 6.876 ( 0.418 2.890 -3.825) 4.812 7.110 ( -8.019 4.870 2.280) 9.655 7.407 ( -1.697 0.287 -0.243) 1.738 7.475 ( 2.400 -4.272 -0.482) 4.923 7.663 ( 7.955 -4.793 -0.866) 9.328 8.775 ( 2.208 -0.673 -1.872) 2.972 8.951 ( -1.528 -0.852 -1.432) 2.261 9.014 ( 5.498 -4.613 -0.369) 7.187 9.379 ( 2.494 0.197 0.151) 2.506 9.393 ( 2.929 -3.683 -0.907) 4.792 9.519 ( 11.823 2.061 0.102) 12.002 9.687 ( 4.328 -2.618 -2.516) 5.649 9.866 ( 3.376 -10.112 3.757) 11.304 10.008 ( -3.362 7.124 1.249) 7.975 10.298 ( -3.156 3.395 -0.188) 4.639 10.401 ( -10.524 2.456 2.660) 11.129 10.638 ( -3.253 5.167 -2.909) 6.763 11.252 ( 8.909 -2.528 1.204) 9.339 11.301 ( 7.551 -2.197 0.123) 7.865 11.609 ( 4.533 -0.962 -2.138) 5.103 11.687 ( 7.438 -0.073 -0.562) 7.460 12.885 ( -14.785 -6.519 -0.684) 16.172 13.063 ( -2.999 -5.039 0.062) 5.864 13.332 ( 3.229 0.188 1.295) 3.484 13.382 ( 4.157 -2.845 -0.465) 5.058 13.460 ( -6.526 -2.286 0.183) 6.917 13.701 ( 1.054 4.633 -0.338) 4.764 13.844 ( 0.227 1.056 0.425) 1.161 13.977 ( -0.546 1.463 -0.466) 1.630 14.364 ( -1.167 6.428 -1.365) 6.674 14.393 ( -2.783 8.530 2.817) 9.404 14.686 ( -11.587 7.825 -0.201) 13.983 15.132 ( 5.302 4.342 -0.140) 6.854 15.512 ( 3.610 5.465 0.277) 6.555 15.605 ( 0.836 4.782 -2.318) 5.379 15.700 ( 0.414 1.946 -0.625) 2.085 15.806 ( 0.979 2.643 1.498) 3.191 16.577 ( 2.105 2.461 -1.735) 3.674 16.682 ( 2.329 0.875 -0.568) 2.552 16.735 ( 0.259 -0.900 1.533) 1.796 16.861 ( 5.380 -0.946 -2.422) 5.976 19.188 ( -3.620 -5.268 -1.713) 6.617 19.461 ( -1.331 -3.812 -0.806) 4.117 20.113 ( -2.386 5.274 2.548) 6.325 20.516 ( 0.954 4.359 -4.705) 6.485 21.142 ( -1.550 -1.961 6.247) 6.728 21.574 ( 2.155 -1.913 -3.893) 4.844 23.087 ( 0.674 -4.032 3.261) 5.229 23.551 ( 2.942 -0.050 -1.446) 3.279 26.703 ( -1.241 0.055 0.025) 1.242 26.806 ( 0.896 0.214 -0.003) 0.921 29.079 ( -6.958 8.324 -0.038) 10.849 29.682 ( 3.682 7.387 -0.527) 8.270 29.904 ( 11.897 3.131 11.185) 16.627 30.491 ( 5.447 -5.342 -14.527) 16.408 30.752 ( 0.686 5.473 -3.841) 6.722 30.836 ( 0.627 1.931 -1.645) 2.613 31.026 ( -6.490 3.525 0.814) 7.430 31.384 ( -4.893 13.327 -1.609) 14.288 32.181 ( 0.619 -1.057 0.723) 1.423 32.265 ( 1.255 1.732 0.071) 2.140 32.544 ( 1.489 -0.288 -1.575) 2.187 32.884 ( 10.926 2.662 -8.348) 14.006 33.548 ( -2.190 0.346 7.456) 7.779 33.964 ( 0.559 -2.075 -5.871) 6.252 35.627 ( 2.253 -0.259 5.281) 5.747 35.767 ( -1.866 2.077 -6.218) 6.816 36.159 ( -2.361 -0.193 6.007) 6.457 36.227 ( -0.072 3.407 0.147) 3.411 36.460 ( 5.408 2.130 -8.434) 10.243 36.726 ( 2.306 -0.488 -4.632) 5.198 37.631 ( -14.712 -15.359 26.452) 33.942 38.681 ( -3.037 -11.084 -6.198) 13.057 ======================= Grid point 106 (48/93) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.656 -0.000 -0.464) 0.804 1.053 ( 0.883 -0.000 -0.540) 1.035 2.161 ( 11.451 -0.000 -15.621) 19.368 2.242 ( 2.548 0.000 -2.917) 3.873 2.342 ( -5.256 -0.000 -5.895) 7.898 2.593 ( 0.465 -0.000 6.322) 6.339 2.724 ( -18.105 -0.000 3.472) 18.435 2.895 ( 8.158 -0.000 0.113) 8.159 3.041 ( -1.385 0.000 5.678) 5.845 3.052 ( -5.097 -0.000 11.787) 12.842 3.248 ( 9.789 -0.000 -1.685) 9.933 3.438 ( 0.040 -0.000 1.201) 1.201 3.543 ( -6.742 -0.000 3.715) 7.698 3.569 ( 9.709 0.000 -2.487) 10.023 3.710 ( -9.683 -0.000 2.892) 10.105 3.729 ( 11.252 0.000 -4.912) 12.278 4.028 ( -6.851 -0.000 3.918) 7.892 4.034 ( 0.243 0.000 -0.673) 0.716 4.333 ( 5.798 -0.000 2.452) 6.295 4.444 ( 0.256 -0.000 3.435) 3.445 4.668 ( -0.366 0.000 5.670) 5.682 4.731 ( -6.239 -0.000 0.117) 6.240 4.808 ( -1.526 -0.000 2.906) 3.283 5.004 ( 2.226 -0.000 -0.231) 2.238 5.067 ( -12.974 -0.000 -2.053) 13.136 5.200 ( 0.126 -0.000 -9.800) 9.801 5.742 ( 0.543 -0.000 3.462) 3.504 5.808 ( 6.842 -0.000 -0.876) 6.898 5.874 ( 0.086 -0.000 1.888) 1.890 5.959 ( -1.712 -0.000 1.205) 2.094 6.015 ( -0.378 -0.000 -2.660) 2.687 6.105 ( -2.472 -0.000 2.041) 3.206 6.332 ( 3.258 -0.000 -0.821) 3.360 6.340 ( 3.523 -0.000 -1.067) 3.681 6.615 ( 1.850 -0.000 5.501) 5.804 7.153 ( -2.564 -0.000 -6.687) 7.162 7.169 ( -4.021 0.000 -1.731) 4.378 7.340 ( 5.419 -0.000 -6.085) 8.148 7.560 ( 1.101 -0.000 1.720) 2.042 7.600 ( 1.780 -0.000 -0.261) 1.799 8.816 ( 2.551 -0.000 -1.779) 3.110 8.841 ( -3.555 -0.000 -3.061) 4.691 9.157 ( -0.973 -0.000 3.237) 3.380 9.185 ( -10.969 -0.000 -1.983) 11.147 9.187 ( 6.515 0.000 -0.165) 6.517 9.296 ( -0.722 -0.000 -1.503) 1.668 9.332 ( 5.382 -0.000 5.786) 7.902 9.635 ( 1.469 -0.000 -2.169) 2.620 10.326 ( -4.154 -0.000 4.115) 5.847 10.423 ( -0.018 -0.000 4.385) 4.385 10.634 ( 2.466 -0.000 -2.057) 3.211 10.706 ( 1.228 0.000 -1.398) 1.860 10.963 ( -1.352 -0.000 1.382) 1.933 11.119 ( 0.720 -0.000 -2.290) 2.401 11.490 ( 2.678 -0.000 -2.250) 3.498 11.540 ( -2.036 -0.000 -3.412) 3.974 13.032 ( 2.022 -0.000 0.516) 2.087 13.053 ( -2.215 -0.000 -0.064) 2.216 13.409 ( 1.303 -0.000 0.833) 1.546 13.498 ( -1.382 0.000 1.229) 1.850 13.511 ( -2.358 -0.000 -1.732) 2.926 13.611 ( 2.415 -0.000 -1.059) 2.637 14.009 ( -2.469 -0.000 0.171) 2.474 14.016 ( 1.931 -0.000 0.216) 1.943 14.459 ( 5.286 -0.000 1.041) 5.387 14.533 ( -5.451 -0.000 -1.131) 5.567 14.980 ( 2.793 -0.000 3.177) 4.230 15.166 ( -3.933 -0.000 -1.013) 4.061 15.523 ( -1.033 -0.000 1.309) 1.667 15.684 ( 2.561 -0.000 -3.199) 4.097 15.849 ( -2.863 -0.000 4.556) 5.381 16.104 ( 2.676 -0.000 -2.303) 3.531 16.576 ( 0.971 -0.000 -0.129) 0.979 16.621 ( -0.942 -0.000 -1.431) 1.713 16.735 ( 1.262 -0.000 1.213) 1.751 16.750 ( 0.025 -0.000 0.364) 0.365 19.146 ( -3.098 -0.000 0.722) 3.181 19.316 ( 3.473 -0.000 -3.861) 5.193 20.290 ( -0.571 -0.000 3.982) 4.022 20.730 ( 1.321 -0.000 -6.372) 6.507 21.062 ( -2.524 -0.000 5.090) 5.682 21.519 ( 1.948 -0.000 -6.251) 6.548 22.994 ( -6.531 -0.000 6.240) 9.033 23.386 ( 4.157 -0.000 -3.399) 5.370 26.757 ( -0.432 -0.000 0.213) 0.482 26.767 ( 0.506 -0.000 -0.030) 0.506 29.405 ( -1.698 -0.000 1.517) 2.277 29.472 ( 1.631 -0.000 1.950) 2.542 29.860 ( 0.886 -0.000 5.898) 5.964 30.840 ( -1.561 -0.000 -1.678) 2.292 30.849 ( 0.388 -0.000 0.006) 0.388 30.961 ( 0.374 -0.000 -16.675) 16.679 31.359 ( -6.682 -0.000 3.723) 7.649 31.927 ( 3.359 -0.000 -12.468) 12.912 32.188 ( -6.881 -0.000 0.877) 6.937 32.289 ( 0.372 -0.000 -1.066) 1.129 32.428 ( 11.403 -0.000 4.789) 12.368 32.692 ( -4.372 -0.000 -4.429) 6.224 33.530 ( -0.206 -0.000 4.723) 4.727 33.941 ( 0.900 -0.000 -4.368) 4.459 35.518 ( 0.884 -0.000 4.145) 4.238 35.883 ( 6.494 0.000 14.990) 16.336 35.905 ( 1.470 -0.000 -5.075) 5.284 36.177 ( -3.718 -0.000 6.391) 7.394 36.648 ( -1.579 -0.000 -1.239) 2.007 36.677 ( 1.679 -0.000 -5.179) 5.444 37.607 ( -9.114 -0.000 6.904) 11.434 38.273 ( 5.840 -0.000 -6.409) 8.671 ======================= Grid point 108 (49/93) ======================= q-point: (-0.38 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.453 1.618 -0.890) 3.070 1.067 ( 2.198 0.263 0.727) 2.330 1.981 ( 0.329 18.656 -11.234) 21.780 2.187 ( -8.743 3.843 -6.553) 11.582 2.346 ( 8.037 3.957 1.683) 9.115 2.551 ( -5.751 -5.601 1.982) 8.269 2.645 ( -2.554 -1.887 8.591) 9.159 2.902 ( -0.506 2.692 -2.069) 3.433 3.086 ( -3.103 -0.152 2.038) 3.716 3.129 ( 3.226 -7.038 0.716) 7.775 3.356 ( 6.282 11.396 -1.865) 13.146 3.430 ( -4.694 3.957 4.996) 7.915 3.466 ( -6.207 -0.714 5.335) 8.216 3.610 ( 1.265 -5.707 0.619) 5.878 3.751 ( 9.703 -14.590 4.312) 18.044 3.838 ( 8.396 4.584 -1.723) 9.719 3.962 ( -3.908 2.322 -1.340) 4.739 4.068 ( 0.841 -2.043 0.609) 2.292 4.388 ( 2.124 7.533 2.111) 8.106 4.495 ( -7.358 4.746 -6.334) 10.807 4.574 ( 2.758 -6.302 8.048) 10.587 4.709 ( -1.527 -1.922 4.205) 4.869 4.811 ( -2.583 -2.836 2.276) 4.461 4.860 ( -10.592 -4.722 -4.174) 12.325 5.003 ( -3.536 -1.756 -0.707) 4.011 5.213 ( 2.442 -1.685 -2.689) 4.004 5.710 ( -5.918 1.179 2.885) 6.689 5.832 ( -2.668 5.980 3.621) 7.483 5.894 ( 3.033 1.692 -2.372) 4.205 5.962 ( 2.531 -2.660 -2.798) 4.617 6.048 ( 2.394 -3.446 -0.848) 4.280 6.105 ( -1.130 -2.455 -0.439) 2.738 6.322 ( -0.558 2.857 0.581) 2.969 6.422 ( 1.278 -6.253 -0.166) 6.384 6.678 ( -0.067 -1.222 7.577) 7.675 7.041 ( -2.276 3.451 -7.740) 8.775 7.149 ( 0.403 -3.424 -2.714) 4.388 7.411 ( 5.959 -1.789 -3.455) 7.116 7.538 ( -3.083 2.139 0.720) 3.821 7.566 ( -4.054 2.311 -0.563) 4.700 8.780 ( 1.063 2.320 -3.820) 4.594 8.881 ( 5.763 -1.321 -1.485) 6.095 8.984 ( -8.062 1.570 -0.884) 8.261 9.215 ( 2.313 -0.661 2.632) 3.566 9.301 ( 5.479 -7.264 1.520) 9.225 9.393 ( 11.757 3.465 0.095) 12.257 9.475 ( 5.715 -2.818 1.209) 6.486 9.629 ( -1.690 -2.551 -0.859) 3.178 10.263 ( -1.845 6.447 2.688) 7.225 10.425 ( -5.675 -3.408 3.986) 7.727 10.559 ( -3.901 7.097 -0.619) 8.122 10.709 ( -3.405 -6.119 -1.335) 7.128 11.049 ( 8.186 -1.213 0.484) 8.290 11.171 ( 7.717 1.383 -1.572) 7.996 11.529 ( 3.855 -0.284 -4.478) 5.916 11.561 ( 6.417 -0.666 -0.966) 6.523 12.953 ( -10.268 -2.067 -1.264) 10.550 13.014 ( -6.303 -2.063 1.434) 6.786 13.348 ( -4.977 2.088 1.407) 5.577 13.425 ( -5.166 -0.713 -1.663) 5.474 13.518 ( 1.266 1.565 0.549) 2.086 13.677 ( 3.268 -2.704 -0.447) 4.265 13.944 ( -2.553 2.354 -0.146) 3.476 14.027 ( -1.000 0.566 0.242) 1.175 14.462 ( -0.197 1.786 -2.237) 2.869 14.568 ( 5.542 3.659 3.087) 7.324 15.009 ( -2.098 2.345 4.094) 5.163 15.102 ( -0.887 -0.902 -2.724) 3.004 15.524 ( -0.397 -1.028 0.656) 1.283 15.695 ( 2.062 2.153 -2.330) 3.783 15.805 ( -3.347 2.436 2.834) 5.017 16.059 ( -3.951 4.167 -1.322) 5.893 16.609 ( 0.629 0.077 -1.275) 1.424 16.618 ( 3.568 -0.427 0.303) 3.606 16.736 ( -0.922 0.915 0.519) 1.399 16.777 ( 2.766 -0.373 0.547) 2.844 19.111 ( -2.697 -2.407 -0.811) 3.705 19.353 ( 2.226 -1.825 -2.250) 3.654 20.284 ( -1.830 2.628 4.407) 5.447 20.670 ( -2.070 1.700 -6.816) 7.323 21.072 ( -0.897 -0.933 5.169) 5.329 21.520 ( 2.390 -0.810 -5.841) 6.363 22.967 ( -1.763 -1.600 3.754) 4.445 23.451 ( 4.795 -1.197 -1.351) 5.123 26.746 ( -0.718 0.852 -0.011) 1.114 26.777 ( 0.453 -0.704 0.194) 0.859 29.401 ( 0.112 3.777 1.177) 3.958 29.541 ( 5.167 -1.920 2.996) 6.274 29.910 ( 2.005 2.595 7.729) 8.396 30.666 ( -12.825 1.197 -17.518) 21.744 30.854 ( -0.829 0.791 -1.077) 1.573 30.858 ( -0.220 0.227 -1.377) 1.412 31.275 ( -4.739 3.390 0.821) 5.884 31.820 ( -3.941 5.273 -8.083) 10.424 32.133 ( -1.585 -0.534 2.679) 3.158 32.291 ( 0.852 0.644 -0.610) 1.230 32.574 ( 0.760 3.230 -2.215) 3.989 32.701 ( 10.747 -4.452 -1.003) 11.676 33.555 ( -0.529 0.508 5.066) 5.119 33.930 ( 0.723 -1.035 -4.911) 5.070 35.565 ( 1.232 0.089 5.609) 5.744 35.878 ( 0.243 1.288 -6.106) 6.245 36.102 ( 6.661 -1.233 15.876) 17.260 36.158 ( -3.545 -0.135 6.377) 7.297 36.601 ( -0.201 2.079 -6.619) 6.940 36.683 ( 2.242 -0.972 -4.552) 5.166 37.477 ( -10.974 -0.196 7.649) 13.378 38.369 ( 5.182 -6.763 -4.770) 9.764 ======================= Grid point 109 (50/93) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.196 2.642 -0.678) 2.978 1.094 ( 0.710 1.260 -0.892) 1.699 1.872 ( 10.596 14.779 -10.675) 21.087 1.991 ( -1.725 2.528 1.627) 3.466 2.354 ( -3.406 8.913 6.378) 11.477 2.552 ( -0.807 -5.666 7.637) 9.543 2.758 ( 8.954 0.423 -3.452) 9.606 2.829 ( -4.433 1.119 -0.517) 4.602 3.013 ( 1.442 5.161 -2.051) 5.737 3.103 ( -13.435 -10.894 -2.696) 17.506 3.286 ( -0.789 6.277 1.575) 6.519 3.439 ( 2.267 -7.691 1.287) 8.121 3.531 ( -2.789 -4.102 4.059) 6.409 3.705 ( 1.882 -2.284 3.094) 4.282 3.801 ( 3.512 12.185 -5.684) 13.897 3.931 ( -0.048 -1.302 5.145) 5.307 4.067 ( -0.205 4.370 6.635) 7.948 4.137 ( 16.858 -10.737 -7.380) 21.306 4.187 ( -6.740 5.179 -4.499) 9.617 4.463 ( 2.810 -2.080 -3.800) 5.163 4.688 ( -3.183 -1.883 4.571) 5.879 4.752 ( 3.528 0.204 -1.116) 3.706 4.791 ( 1.796 -1.510 6.166) 6.598 4.836 ( -3.603 -5.448 4.373) 7.860 4.956 ( -4.764 -3.009 1.760) 5.903 5.205 ( -7.161 -5.255 0.240) 8.886 5.579 ( -12.176 -1.150 2.425) 12.469 5.684 ( -5.188 12.803 1.747) 13.925 5.907 ( -0.769 -2.652 1.017) 2.943 5.990 ( 2.473 2.516 -6.720) 7.589 6.085 ( -3.091 -4.137 -2.814) 5.881 6.114 ( 2.271 -1.866 -2.655) 3.961 6.307 ( 0.188 0.572 1.926) 2.018 6.466 ( -2.361 -4.248 -2.572) 5.499 6.728 ( -2.683 -2.731 9.383) 10.134 6.942 ( 0.576 3.764 -5.267) 6.499 7.177 ( -0.980 -0.048 -1.356) 1.674 7.415 ( -3.801 2.438 -0.467) 4.540 7.468 ( -1.192 1.636 -1.287) 2.399 7.567 ( 7.276 -4.146 -1.588) 8.524 8.798 ( 5.797 1.794 -3.801) 7.160 8.881 ( -4.799 -2.601 -0.388) 5.472 8.993 ( 7.556 -0.227 -1.988) 7.817 9.307 ( 5.766 -2.235 2.731) 6.760 9.408 ( 0.239 0.678 -1.636) 1.787 9.554 ( 9.415 1.152 0.231) 9.488 9.615 ( 9.258 -5.097 1.311) 10.650 9.669 ( 0.831 -7.083 1.373) 7.262 10.161 ( -4.093 7.344 1.459) 8.533 10.351 ( -7.756 0.772 2.250) 8.112 10.427 ( -6.575 1.482 -0.042) 6.740 10.687 ( -2.804 -0.825 -1.494) 3.283 11.213 ( 9.785 -1.279 0.756) 9.897 11.294 ( 9.737 1.463 -0.641) 9.867 11.597 ( 6.281 -0.397 -3.675) 7.288 11.678 ( 7.068 -0.679 -0.031) 7.100 12.786 ( -12.511 -3.068 -1.233) 12.941 12.937 ( -6.122 -6.011 1.030) 8.641 13.299 ( -0.335 -0.665 0.965) 1.219 13.346 ( -5.197 -2.190 -0.806) 5.697 13.506 ( 0.581 4.476 0.556) 4.548 13.735 ( 1.150 -1.607 -0.163) 1.983 13.893 ( -0.689 3.753 -0.168) 3.820 13.995 ( -1.132 0.077 -0.234) 1.159 14.439 ( -0.128 2.459 -0.362) 2.488 14.543 ( -4.323 4.514 1.542) 6.438 14.869 ( -10.241 9.518 1.103) 14.025 15.152 ( 4.798 -1.230 -0.067) 4.953 15.541 ( 0.321 -2.154 -0.278) 2.196 15.667 ( 0.887 4.742 0.118) 4.826 15.758 ( -0.611 1.556 -0.920) 1.908 15.923 ( -4.846 5.998 0.630) 7.737 16.618 ( 2.143 1.283 -1.231) 2.785 16.677 ( 2.031 -1.041 -0.132) 2.286 16.722 ( -0.652 -0.275 1.060) 1.275 16.840 ( 4.337 -0.851 -0.676) 4.471 19.101 ( -1.185 -3.066 -1.294) 3.533 19.390 ( 0.591 -2.820 -1.131) 3.095 20.230 ( -2.967 5.447 3.903) 7.329 20.574 ( -2.255 1.405 -5.579) 6.179 21.109 ( -0.201 -1.161 5.560) 5.684 21.541 ( 2.881 -1.288 -4.708) 5.668 23.008 ( 1.020 -3.330 2.088) 4.061 23.533 ( 3.943 -1.310 -0.084) 4.156 26.719 ( -0.933 1.419 -0.019) 1.699 26.796 ( 0.545 -1.128 0.114) 1.258 29.287 ( -5.320 11.564 0.892) 12.761 29.725 ( 10.354 -4.352 3.171) 11.671 29.959 ( 0.413 3.796 7.317) 8.254 30.384 ( -6.690 -4.710 -13.786) 16.031 30.816 ( -1.023 1.603 -1.053) 2.174 30.859 ( 0.501 0.474 -0.616) 0.925 31.131 ( -7.315 5.405 -0.820) 9.132 31.640 ( -4.450 10.391 -1.417) 11.392 32.154 ( 0.610 -1.359 1.824) 2.355 32.294 ( 0.689 0.983 0.074) 1.203 32.538 ( 0.204 -0.312 -3.647) 3.666 32.910 ( 11.917 0.063 -2.429) 12.162 33.560 ( -2.155 0.638 5.514) 5.955 33.928 ( 1.490 -1.360 -5.062) 5.449 35.625 ( 1.848 0.007 5.785) 6.073 35.808 ( -1.791 1.762 -7.318) 7.737 36.148 ( -3.179 -0.542 6.972) 7.681 36.272 ( 2.602 0.737 9.912) 10.274 36.521 ( 2.272 3.428 -12.882) 13.523 36.707 ( 2.594 -1.193 -4.012) 4.924 37.400 ( -11.337 -7.386 13.846) 19.359 38.487 ( 3.713 -7.270 -4.602) 9.371 ======================= Grid point 110 (51/93) ======================= q-point: (-0.12 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.855 1.029 -4.892) 5.072 1.079 ( 1.421 2.473 -0.203) 2.860 1.787 ( 3.400 3.579 -9.494) 10.700 1.994 ( 3.349 11.070 2.136) 11.761 2.456 ( 7.246 -3.743 10.367) 13.190 2.582 ( -3.657 -2.481 0.646) 4.466 2.693 ( -2.508 5.795 -6.436) 9.016 2.844 ( -2.127 1.537 7.244) 7.705 3.018 ( -6.065 -11.702 -1.837) 13.308 3.062 ( 5.569 1.862 -0.682) 5.911 3.273 ( 4.899 2.123 -1.595) 5.572 3.417 ( -3.395 -1.882 0.872) 3.979 3.617 ( -0.749 -9.572 -4.406) 10.564 3.692 ( -0.917 2.232 3.705) 4.422 3.744 ( 1.791 2.197 -3.029) 4.148 3.964 ( 1.742 3.568 1.130) 4.128 4.023 ( -3.500 2.428 -2.270) 4.827 4.146 ( 4.792 0.710 6.884) 8.418 4.416 ( 11.102 -2.551 -6.245) 12.991 4.497 ( -0.348 -2.267 -0.900) 2.464 4.634 ( -8.466 -2.140 5.612) 10.380 4.758 ( 4.618 5.631 -4.200) 8.406 4.883 ( -0.597 -6.377 1.515) 6.582 4.923 ( -4.751 0.053 6.715) 8.226 4.946 ( 5.344 -1.912 6.548) 8.665 5.130 ( -7.435 -5.953 0.797) 9.557 5.384 ( -10.789 2.949 -0.618) 11.202 5.510 ( -4.239 5.793 4.099) 8.266 5.867 ( -3.702 3.275 -6.431) 8.110 5.952 ( 0.988 0.304 -2.340) 2.558 6.063 ( -4.372 -6.986 0.138) 8.242 6.146 ( 2.230 -0.506 -2.544) 3.421 6.319 ( 0.351 0.312 -0.087) 0.478 6.413 ( -2.549 0.564 -3.824) 4.630 6.741 ( -5.486 -0.713 7.423) 9.258 6.917 ( 1.756 3.038 -1.146) 3.691 7.088 ( -2.096 4.142 -0.111) 4.643 7.382 ( -0.568 -1.283 -3.196) 3.490 7.475 ( 2.205 -1.071 0.653) 2.537 7.735 ( 6.960 -4.684 -0.231) 8.392 8.805 ( 0.310 1.856 -1.458) 2.381 8.886 ( 0.998 -2.038 -1.466) 2.702 9.103 ( 6.144 -1.304 -1.457) 6.447 9.358 ( -0.348 1.951 -2.111) 2.896 9.478 ( 8.246 -4.843 0.765) 9.594 9.667 ( 3.298 -0.697 1.269) 3.602 9.719 ( 6.597 -0.639 -2.394) 7.047 9.877 ( 5.317 -8.576 3.510) 10.683 10.017 ( -4.993 6.562 1.478) 8.377 10.213 ( -9.477 1.403 0.991) 9.632 10.281 ( -7.729 3.073 -1.672) 8.484 10.634 ( -1.071 1.842 -1.848) 2.820 11.373 ( 6.452 -1.159 2.168) 6.904 11.426 ( 7.510 0.322 -0.129) 7.518 11.657 ( 3.374 0.506 -1.491) 3.723 11.785 ( 4.932 -0.723 -0.081) 4.985 12.617 ( -9.890 -1.861 -0.307) 10.068 12.994 ( 2.074 -6.967 -0.035) 7.269 13.308 ( -2.844 -4.166 -0.008) 5.044 13.389 ( 6.087 -7.800 0.383) 9.901 13.453 ( -0.878 5.481 0.572) 5.581 13.756 ( 2.242 0.495 -0.670) 2.392 13.829 ( -2.564 1.496 -1.342) 3.258 14.007 ( 1.778 0.397 1.157) 2.158 14.370 ( -7.136 10.285 -1.020) 12.560 14.386 ( -7.449 5.842 2.221) 9.724 14.571 ( -9.828 5.582 -0.072) 11.303 15.226 ( 2.660 -1.115 -0.562) 2.939 15.562 ( 0.473 -1.797 -1.035) 2.126 15.685 ( 3.745 1.171 1.135) 4.084 15.717 ( -0.032 4.177 -1.683) 4.503 15.819 ( -3.845 2.507 2.304) 5.136 16.634 ( 3.022 2.131 -1.231) 3.898 16.692 ( -1.147 -1.799 -0.601) 2.216 16.738 ( 0.666 -0.367 1.392) 1.586 16.908 ( 3.650 -0.507 -1.701) 4.058 19.121 ( 0.940 -2.229 -0.428) 2.457 19.409 ( -0.492 -1.879 -1.067) 2.216 20.144 ( -2.650 5.513 2.737) 6.701 20.519 ( -0.390 -0.052 -3.080) 3.105 21.150 ( -0.603 -0.770 6.032) 6.111 21.574 ( 2.637 -1.198 -3.715) 4.711 23.081 ( 1.311 -4.175 2.687) 5.135 23.586 ( 1.823 0.240 -0.578) 1.927 26.694 ( -0.588 1.009 -0.071) 1.170 26.814 ( 0.335 -0.723 0.005) 0.797 29.074 ( -5.507 9.838 0.208) 11.276 29.811 ( 0.046 8.767 -1.125) 8.839 30.066 ( 5.326 -12.724 10.101) 17.097 30.407 ( 2.465 -5.433 -3.209) 6.774 30.777 ( 0.332 0.683 -2.431) 2.547 30.861 ( 2.255 0.423 -2.531) 3.416 30.968 ( -5.285 2.938 -0.606) 6.077 31.461 ( -3.319 13.735 3.730) 14.615 32.190 ( 0.802 -0.865 1.832) 2.179 32.291 ( 0.034 0.894 0.385) 0.974 32.544 ( 1.675 -1.363 -2.842) 3.570 33.022 ( 7.445 3.534 -6.733) 10.641 33.555 ( -2.701 -0.441 7.114) 7.622 33.941 ( 2.603 -0.483 -4.620) 5.325 35.666 ( -1.659 1.204 -1.815) 2.738 35.728 ( 0.794 0.182 -1.250) 1.492 36.154 ( -2.623 -0.972 7.321) 7.837 36.249 ( -1.192 6.458 -6.136) 8.988 36.497 ( 3.865 -0.584 -6.848) 7.885 36.736 ( 2.709 -0.488 -3.523) 4.471 37.418 ( -11.818 -11.944 17.603) 24.335 38.561 ( 2.448 -3.355 -5.538) 6.922 ======================= Grid point 116 (52/93) ======================= q-point: (-0.38 0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.581 0.000 2.185) 2.697 1.094 ( 0.660 0.000 -2.823) 2.899 2.032 ( -4.297 -0.000 9.860) 10.756 2.076 ( 6.650 0.000 -16.685) 17.962 2.440 ( -4.541 -0.000 -3.497) 5.732 2.497 ( 5.063 0.000 4.511) 6.781 2.677 ( 0.353 0.000 8.847) 8.854 2.851 ( -3.454 -0.000 -3.855) 5.176 2.930 ( -16.916 -0.000 -1.920) 17.025 3.118 ( 1.453 0.000 -4.368) 4.603 3.331 ( -2.967 -0.000 1.426) 3.292 3.437 ( -4.037 -0.000 11.243) 11.946 3.469 ( -4.099 -0.000 3.624) 5.471 3.729 ( 9.008 0.000 -3.243) 9.574 3.832 ( 8.777 0.000 -3.249) 9.359 3.920 ( 4.075 0.000 -4.850) 6.335 4.001 ( 12.871 0.000 4.646) 13.684 4.150 ( 4.987 0.000 -3.103) 5.873 4.258 ( -12.876 -0.000 -6.498) 14.423 4.538 ( 2.386 0.000 4.671) 5.245 4.597 ( -4.081 -0.000 -3.460) 5.351 4.673 ( 0.504 0.000 5.724) 5.747 4.773 ( 1.493 0.000 6.152) 6.331 4.833 ( 6.020 0.000 5.351) 8.054 4.909 ( -6.223 -0.000 -0.178) 6.226 5.162 ( -8.171 -0.000 0.060) 8.171 5.561 ( -13.892 -0.000 2.995) 14.211 5.844 ( -5.098 -0.000 4.817) 7.014 5.868 ( -0.997 -0.000 -1.543) 1.837 6.029 ( 0.821 0.000 -1.918) 2.086 6.033 ( -1.375 -0.000 -5.531) 5.700 6.084 ( 6.024 0.000 -3.761) 7.102 6.350 ( -1.519 -0.000 -2.062) 2.561 6.379 ( 1.161 0.000 2.066) 2.369 6.702 ( -2.385 -0.000 9.914) 10.197 6.997 ( -0.044 -0.000 -6.291) 6.291 7.152 ( 3.080 0.000 -2.377) 3.890 7.465 ( 0.405 0.000 -0.951) 1.034 7.483 ( -0.799 -0.000 -1.451) 1.657 7.521 ( -0.588 -0.000 -1.483) 1.596 8.798 ( 2.170 0.000 -4.108) 4.646 8.900 ( -1.044 -0.000 -3.069) 3.242 8.966 ( 6.674 0.000 -0.047) 6.674 9.326 ( 6.063 0.000 2.622) 6.605 9.373 ( 7.817 0.000 0.292) 7.822 9.539 ( -1.259 -0.000 3.376) 3.603 9.569 ( 6.576 0.000 1.552) 6.756 9.610 ( 7.855 0.000 -2.391) 8.211 10.281 ( -10.587 -0.000 2.791) 10.949 10.305 ( -0.960 -0.000 1.086) 1.450 10.470 ( -9.260 -0.000 -0.815) 9.296 10.654 ( -0.396 -0.000 -0.390) 0.555 11.201 ( 10.482 0.000 0.591) 10.499 11.320 ( 9.751 0.000 -0.975) 9.799 11.591 ( 7.347 0.000 -4.685) 8.713 11.669 ( 6.723 0.000 0.558) 6.746 12.759 ( -9.581 -0.000 -1.988) 9.785 12.867 ( -9.998 -0.000 1.877) 10.173 13.299 ( -3.346 -0.000 2.349) 4.088 13.317 ( -4.767 -0.000 -2.204) 5.252 13.570 ( 1.520 0.000 0.627) 1.644 13.697 ( 1.507 0.000 -0.617) 1.629 13.948 ( 0.873 0.000 0.740) 1.144 13.983 ( -3.536 -0.000 -0.920) 3.654 14.464 ( -0.633 -0.000 -0.186) 0.659 14.585 ( -6.134 -0.000 1.212) 6.253 15.001 ( -4.216 -0.000 2.932) 5.135 15.112 ( 2.232 0.000 -1.198) 2.533 15.516 ( 0.859 0.000 -0.714) 1.117 15.718 ( 0.425 0.000 -1.388) 1.451 15.777 ( -2.867 -0.000 1.711) 3.339 15.988 ( -6.308 -0.000 -0.453) 6.325 16.628 ( 1.987 0.000 -0.047) 1.988 16.663 ( 1.807 0.000 -0.308) 1.833 16.720 ( -1.225 -0.000 0.680) 1.401 16.831 ( 4.208 0.000 -0.275) 4.217 19.070 ( -0.250 -0.000 -1.006) 1.036 19.360 ( 1.245 0.000 -1.268) 1.777 20.294 ( -2.416 -0.000 4.908) 5.471 20.584 ( -4.100 -0.000 -6.224) 7.453 21.097 ( 0.293 0.000 5.421) 5.429 21.527 ( 3.157 0.000 -5.043) 5.950 22.971 ( 0.864 0.000 1.679) 1.889 23.516 ( 4.217 0.000 0.344) 4.231 26.745 ( -0.216 -0.000 -0.461) 0.509 26.774 ( -0.170 -0.000 0.602) 0.625 29.481 ( 3.521 0.000 -0.033) 3.522 29.593 ( -0.029 -0.000 6.086) 6.086 30.016 ( 5.290 0.000 5.998) 7.997 30.327 ( -14.919 -0.000 -14.395) 20.731 30.831 ( -1.242 -0.000 -0.674) 1.413 30.863 ( 0.214 0.000 0.110) 0.241 31.193 ( -7.771 -0.000 -1.309) 7.881 31.752 ( -4.195 -0.000 -0.760) 4.264 32.139 ( 0.407 0.000 2.636) 2.667 32.303 ( 0.498 0.000 -0.151) 0.521 32.534 ( -0.434 -0.000 -5.401) 5.419 32.906 ( 12.642 0.000 1.189) 12.698 33.567 ( -2.164 -0.000 4.560) 5.048 33.914 ( 1.932 0.000 -4.757) 5.134 35.625 ( 1.727 0.000 5.962) 6.207 35.828 ( -1.831 -0.000 -8.053) 8.259 36.142 ( -3.276 -0.000 6.804) 7.552 36.274 ( 3.163 0.000 14.693) 15.030 36.564 ( 1.333 0.000 -12.961) 13.030 36.691 ( 3.032 0.000 -4.366) 5.316 37.327 ( -11.499 -0.000 6.830) 13.374 38.411 ( 6.726 0.000 -3.312) 7.497 ======================= Grid point 118 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.791 1.198 -3.574) 3.851 1.132 ( 2.492 1.864 1.586) 3.493 1.963 ( 1.877 13.523 -2.984) 13.975 2.215 ( -5.400 8.820 -3.473) 10.909 2.279 ( 1.478 -13.730 12.729) 18.782 2.554 ( -7.601 0.581 0.515) 7.640 2.696 ( -5.639 -6.218 -5.735) 10.166 2.777 ( -0.085 -3.881 3.394) 5.156 2.850 ( 6.961 -7.439 -3.725) 10.848 3.072 ( 0.750 6.564 -3.003) 7.257 3.327 ( -3.463 -4.778 -1.538) 6.098 3.427 ( 2.778 6.829 6.405) 9.766 3.498 ( 1.964 -1.536 2.430) 3.482 3.653 ( -3.404 -1.987 -5.513) 6.777 3.913 ( 1.332 5.586 -4.369) 7.215 3.968 ( -1.188 0.674 -4.320) 4.530 4.127 ( 2.706 6.531 6.114) 9.347 4.198 ( 3.076 -0.111 -3.661) 4.783 4.298 ( 14.972 -7.975 -0.348) 16.967 4.483 ( 2.874 4.077 -1.751) 5.286 4.608 ( -5.781 -0.587 2.779) 6.441 4.719 ( 0.887 -9.796 3.288) 10.371 4.811 ( -10.248 -3.682 4.256) 11.692 4.848 ( 4.582 2.053 -0.679) 5.067 4.969 ( -8.309 0.513 2.959) 8.835 5.052 ( 6.678 -1.084 8.298) 10.706 5.348 ( -14.686 -1.368 4.077) 15.303 5.720 ( -5.826 8.308 1.192) 10.217 5.876 ( -0.013 -2.462 1.668) 2.974 5.928 ( -5.296 -2.539 -7.655) 9.649 6.021 ( 0.151 1.377 -3.643) 3.898 6.149 ( 3.851 1.612 -2.956) 5.115 6.312 ( -0.706 -1.124 -2.730) 3.036 6.419 ( 1.184 0.095 0.988) 1.545 6.730 ( -2.221 -0.311 9.158) 9.428 6.970 ( 1.435 2.091 -2.314) 3.433 7.164 ( 0.315 1.565 -2.897) 3.308 7.363 ( -4.848 0.089 -2.494) 5.452 7.514 ( 4.811 4.144 -0.090) 6.350 7.623 ( 7.291 -5.923 -0.069) 9.394 8.813 ( -0.409 -1.405 0.299) 1.494 8.889 ( 4.935 2.499 -5.620) 7.885 9.076 ( 5.079 -1.555 -0.752) 5.365 9.399 ( -1.292 1.293 -1.949) 2.672 9.439 ( 8.145 1.399 2.193) 8.550 9.622 ( 3.514 -3.160 3.671) 5.984 9.705 ( 6.222 -4.186 0.765) 7.539 9.733 ( 8.792 -0.846 -1.431) 8.948 10.107 ( -9.509 1.880 0.985) 9.743 10.254 ( -6.450 2.129 2.081) 7.104 10.325 ( -6.482 1.218 -2.457) 7.038 10.632 ( -3.153 -1.124 -0.421) 3.373 11.362 ( 7.608 -0.041 1.636) 7.782 11.437 ( 5.446 0.436 -0.395) 5.478 11.676 ( 5.679 0.892 -3.000) 6.484 11.766 ( 4.179 -0.922 0.650) 4.329 12.640 ( -2.426 3.659 -1.177) 4.545 12.822 ( 0.568 -8.118 0.854) 8.182 13.249 ( -3.072 -1.422 -1.445) 3.681 13.293 ( 0.451 -2.054 1.811) 2.775 13.557 ( -0.730 3.952 0.474) 4.047 13.716 ( -0.434 -2.811 -0.671) 2.922 13.897 ( -2.871 3.678 -0.798) 4.734 13.987 ( 0.490 -2.015 0.899) 2.260 14.429 ( -3.260 1.789 0.261) 3.727 14.479 ( -4.772 0.341 0.111) 4.785 14.826 ( -11.334 14.428 0.894) 18.369 15.128 ( -4.485 -8.245 0.373) 9.393 15.532 ( 0.087 -0.187 -1.019) 1.040 15.705 ( 0.339 0.483 -0.338) 0.680 15.748 ( -1.856 -0.086 0.741) 2.000 15.890 ( -2.961 2.726 -0.434) 4.048 16.658 ( 0.053 -0.089 -0.368) 0.383 16.665 ( 0.609 -0.310 -0.311) 0.751 16.725 ( 0.279 -0.548 1.136) 1.291 16.903 ( 4.884 -0.038 -0.929) 4.972 19.090 ( 2.671 -0.756 0.028) 2.776 19.378 ( 1.302 -0.921 -1.123) 1.951 20.259 ( -2.977 4.497 4.472) 7.006 20.493 ( -3.331 -1.878 -4.795) 6.133 21.140 ( 0.149 -0.238 6.194) 6.200 21.555 ( 3.410 -0.544 -4.183) 5.424 23.009 ( 1.368 -2.213 1.117) 2.832 23.578 ( 2.396 -0.510 0.722) 2.554 26.727 ( -0.265 1.889 -0.354) 1.940 26.786 ( -0.047 -1.702 0.410) 1.752 29.346 ( -6.109 16.181 -0.057) 17.296 29.729 ( -3.681 -18.190 5.138) 19.256 30.012 ( -0.478 10.373 -2.634) 10.713 30.251 ( 7.065 -9.492 -0.483) 11.843 30.798 ( -2.468 0.752 -0.769) 2.692 30.865 ( 0.203 0.071 -0.260) 0.338 31.027 ( -9.093 2.007 -1.609) 9.450 31.678 ( -2.998 6.311 5.575) 8.939 32.172 ( 1.182 -0.600 2.421) 2.760 32.301 ( -0.664 0.087 -0.023) 0.670 32.521 ( 1.871 -0.749 -4.261) 4.714 33.069 ( 7.880 1.145 -1.571) 8.116 33.547 ( -3.621 -0.256 4.713) 5.949 33.936 ( 4.004 -0.086 -3.919) 5.603 35.687 ( 1.270 0.690 3.644) 3.920 35.729 ( -2.735 -0.023 -7.313) 7.808 36.139 ( -2.798 -0.371 7.337) 7.861 36.355 ( -1.047 3.189 6.641) 7.441 36.490 ( 2.731 -0.143 -17.389) 17.603 36.723 ( 3.337 -0.534 -3.492) 4.859 37.238 ( -9.888 -5.093 12.095) 16.432 38.516 ( 7.789 -1.086 -3.795) 8.732 ======================= Grid point 119 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.202 2.053 -3.616) 4.329 1.133 ( 0.406 2.265 -1.404) 2.696 1.868 ( -2.925 1.375 -4.231) 5.324 1.969 ( -14.589 -4.963 0.304) 15.413 2.270 ( -12.230 -2.297 -0.946) 12.479 2.451 ( -6.343 3.327 -5.773) 9.200 2.738 ( -3.018 2.892 0.234) 4.186 2.899 ( 0.752 9.103 -0.108) 9.135 2.954 ( 11.502 -12.239 7.957) 18.585 3.104 ( 4.983 -6.203 -0.133) 7.958 3.358 ( 5.043 -6.339 -2.898) 8.603 3.489 ( 7.813 3.495 3.886) 9.399 3.568 ( 3.299 -0.266 2.412) 4.095 3.658 ( -5.753 -7.932 -0.324) 9.804 3.746 ( -0.734 5.843 -2.389) 6.355 3.973 ( -2.575 0.916 -2.034) 3.407 4.073 ( 0.213 10.621 0.508) 10.635 4.171 ( -5.067 1.916 -2.420) 5.933 4.437 ( -0.464 -2.706 -0.711) 2.836 4.507 ( -3.530 1.244 8.132) 8.952 4.593 ( 4.369 0.088 -0.954) 4.473 4.729 ( -5.919 -5.519 2.047) 8.347 4.825 ( 1.934 -2.430 0.345) 3.125 4.902 ( -3.445 -2.355 -0.585) 4.213 4.959 ( 8.233 -6.061 1.931) 10.404 5.222 ( 4.957 -3.831 3.455) 7.154 5.251 ( 1.531 1.342 5.864) 6.208 5.542 ( -4.206 9.847 -0.530) 10.720 5.844 ( -1.749 -2.665 -7.590) 8.232 5.944 ( 2.518 7.043 -1.849) 7.705 5.959 ( -0.409 -6.320 0.752) 6.377 6.169 ( 1.766 0.151 0.508) 1.844 6.305 ( 1.209 -1.161 -5.296) 5.555 6.421 ( 0.445 3.303 0.685) 3.402 6.727 ( -2.345 2.284 4.470) 5.540 6.968 ( 0.987 2.209 2.005) 3.142 7.116 ( 0.361 4.605 -0.531) 4.650 7.306 ( -2.453 -3.508 -5.053) 6.622 7.549 ( 3.946 4.473 0.853) 6.026 7.788 ( 4.716 -3.947 0.908) 6.217 8.803 ( -0.364 1.065 -0.727) 1.340 8.934 ( 5.406 1.192 -1.534) 5.744 9.125 ( -0.707 -1.832 -0.955) 2.184 9.376 ( 1.369 1.120 -2.062) 2.717 9.572 ( 7.672 -1.242 -0.104) 7.772 9.697 ( -0.050 0.557 0.101) 0.568 9.778 ( 2.822 -1.980 -2.136) 4.055 9.866 ( -2.068 -4.769 2.887) 5.946 10.007 ( -1.692 0.356 1.896) 2.566 10.106 ( -7.130 4.827 2.442) 8.950 10.219 ( 0.337 2.417 -4.873) 5.450 10.584 ( -4.043 -2.926 -0.972) 5.085 11.438 ( 0.333 0.089 2.219) 2.246 11.479 ( -1.006 -1.041 0.278) 1.474 11.713 ( 2.429 2.008 -0.273) 3.164 11.820 ( 0.666 -1.178 -0.014) 1.353 12.614 ( 6.903 6.694 -0.164) 9.617 12.986 ( 5.652 -6.882 -0.207) 8.908 13.245 ( 0.389 -3.773 -0.271) 3.803 13.399 ( 4.439 -8.072 0.687) 9.238 13.491 ( -0.954 5.048 0.635) 5.177 13.742 ( 0.115 -4.854 -1.165) 4.993 13.825 ( 0.296 2.748 -0.964) 2.928 14.008 ( -1.716 -2.452 0.891) 3.123 14.345 ( -8.588 12.287 -1.131) 15.034 14.356 ( -7.344 9.462 1.524) 12.074 14.502 ( -3.347 1.595 0.322) 3.722 15.145 ( -5.670 -10.580 -0.362) 12.009 15.506 ( -3.210 -3.012 -0.849) 4.483 15.690 ( -2.059 0.834 -0.330) 2.246 15.742 ( -1.479 -2.058 1.824) 3.122 15.836 ( 1.244 5.445 -0.495) 5.607 16.635 ( -2.420 -1.735 -0.824) 3.090 16.686 ( 1.633 1.019 -0.548) 2.001 16.738 ( -0.900 -1.241 1.272) 1.992 16.960 ( 3.460 1.593 -1.351) 4.041 19.163 ( 5.047 0.091 1.427) 5.246 19.402 ( 2.043 -0.108 -1.800) 2.725 20.174 ( -2.979 5.934 2.830) 7.217 20.467 ( -1.197 -4.151 -2.399) 4.942 21.177 ( -0.884 0.206 7.124) 7.181 21.586 ( 2.629 -0.313 -3.631) 4.494 23.076 ( 1.463 -4.394 2.627) 5.325 23.603 ( 0.329 0.389 -0.501) 0.714 26.703 ( 0.032 1.805 -0.225) 1.819 26.803 ( -0.211 -1.505 0.145) 1.526 29.093 ( -5.736 10.923 -0.115) 12.339 29.714 ( -11.570 -6.476 0.377) 13.264 30.090 ( 4.444 -8.138 5.938) 11.011 30.429 ( 3.588 0.536 0.676) 3.691 30.745 ( -0.367 -3.958 -2.067) 4.480 30.881 ( 2.918 -1.800 -1.442) 3.719 30.917 ( -1.808 0.123 -0.528) 1.887 31.593 ( -2.093 12.139 9.831) 15.760 32.210 ( 0.807 -0.542 2.355) 2.548 32.287 ( -1.150 -0.406 0.244) 1.244 32.543 ( 1.904 -1.148 -2.559) 3.390 33.097 ( 2.477 4.351 -7.222) 8.787 33.536 ( -3.168 -2.261 6.055) 7.198 33.984 ( 4.907 1.172 -2.925) 5.832 35.594 ( -3.577 1.528 -7.405) 8.364 35.767 ( 2.412 -1.052 2.931) 3.939 36.151 ( -2.247 -0.787 7.367) 7.743 36.234 ( -1.897 7.606 -14.785) 16.735 36.478 ( 0.859 -3.507 -5.309) 6.420 36.757 ( 2.648 -0.249 -2.889) 3.926 37.253 ( -8.555 -8.133 17.230) 20.886 38.617 ( 8.543 2.189 -5.062) 10.169 ======================= Grid point 126 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 1.548 0.000 -1.816) 2.386 1.164 ( -1.007 -0.000 -2.422) 2.623 1.876 ( -23.152 -0.000 -0.250) 23.153 1.889 ( -24.692 -0.000 -5.345) 25.264 2.338 ( -11.226 -0.000 0.943) 11.266 2.454 ( 16.070 0.000 5.312) 16.926 2.760 ( 0.730 0.000 -7.723) 7.757 2.789 ( 6.652 0.000 -3.468) 7.502 2.933 ( 10.399 0.000 5.120) 11.591 3.112 ( 0.402 0.000 -2.568) 2.599 3.305 ( 7.323 0.000 0.351) 7.331 3.507 ( 0.673 0.000 5.838) 5.876 3.527 ( -11.108 -0.000 0.713) 11.131 3.604 ( 7.166 0.000 2.238) 7.507 3.810 ( -3.583 -0.000 -4.220) 5.536 3.985 ( 1.653 0.000 -3.847) 4.187 4.136 ( -4.772 -0.000 -5.255) 7.098 4.311 ( 4.037 0.000 -1.701) 4.381 4.450 ( -1.840 -0.000 0.659) 1.954 4.509 ( -17.936 -0.000 11.309) 21.204 4.539 ( 10.521 0.000 7.964) 13.195 4.658 ( 0.418 0.000 1.099) 1.176 4.736 ( 8.126 0.000 5.477) 9.799 4.877 ( 1.400 0.000 -3.903) 4.146 4.879 ( -1.774 -0.000 -5.158) 5.454 5.184 ( 0.616 0.000 1.615) 1.729 5.291 ( 5.673 0.000 8.231) 9.997 5.669 ( -5.708 -0.000 -2.407) 6.194 5.802 ( -2.485 -0.000 -4.900) 5.494 5.867 ( 0.633 0.000 0.020) 0.633 6.048 ( 2.469 0.000 2.235) 3.330 6.181 ( 2.277 0.000 -6.812) 7.183 6.273 ( 0.478 0.000 -3.021) 3.058 6.459 ( 1.259 0.000 1.639) 2.067 6.751 ( -1.346 -0.000 6.386) 6.526 6.995 ( 1.000 0.000 1.189) 1.554 7.188 ( 3.445 0.000 -3.512) 4.920 7.252 ( -5.337 -0.000 -3.610) 6.443 7.643 ( 5.439 0.000 -1.301) 5.592 7.702 ( 6.640 0.000 3.257) 7.395 8.814 ( 0.189 0.000 0.469) 0.505 8.954 ( 6.602 0.000 -4.571) 8.030 9.098 ( -1.750 -0.000 0.521) 1.826 9.378 ( 0.705 0.000 -2.323) 2.428 9.595 ( 8.032 0.000 0.805) 8.072 9.705 ( 5.485 0.000 0.483) 5.507 9.733 ( -0.845 -0.000 -0.067) 0.848 9.807 ( -0.508 -0.000 0.508) 0.719 9.992 ( -3.661 -0.000 1.065) 3.813 10.184 ( -6.246 -0.000 2.952) 6.909 10.249 ( 0.691 0.000 -5.215) 5.260 10.538 ( -7.325 -0.000 -0.290) 7.330 11.443 ( 0.776 0.000 1.735) 1.900 11.462 ( -1.278 -0.000 0.577) 1.402 11.747 ( 3.544 0.000 -1.111) 3.714 11.797 ( -0.023 -0.000 0.655) 0.655 12.768 ( 11.652 0.000 -1.680) 11.773 12.825 ( 7.093 0.000 1.129) 7.182 13.208 ( -0.020 -0.000 -0.920) 0.920 13.309 ( 1.849 0.000 1.466) 2.360 13.566 ( -0.784 -0.000 0.760) 1.092 13.672 ( -1.767 -0.000 -0.780) 1.931 13.877 ( -1.609 -0.000 -0.218) 1.624 13.959 ( -2.434 -0.000 -0.117) 2.437 14.405 ( -1.245 -0.000 -0.996) 1.595 14.433 ( -0.649 -0.000 0.795) 1.026 14.792 ( -9.665 -0.000 0.900) 9.707 14.854 ( -16.602 -0.000 -0.105) 16.602 15.487 ( -5.077 -0.000 -0.335) 5.088 15.698 ( -1.356 -0.000 -1.138) 1.770 15.714 ( -2.096 -0.000 2.486) 3.251 15.896 ( 1.551 0.000 -1.905) 2.456 16.618 ( -2.432 -0.000 -0.856) 2.578 16.693 ( 0.958 0.000 0.781) 1.236 16.723 ( -0.875 -0.000 0.539) 1.028 16.979 ( 4.886 0.000 -0.745) 4.943 19.164 ( 6.029 0.000 1.841) 6.304 19.400 ( 3.025 0.000 -1.879) 3.561 20.275 ( -2.616 -0.000 5.512) 6.101 20.388 ( -3.457 -0.000 -5.106) 6.166 21.179 ( -0.556 -0.000 7.736) 7.756 21.582 ( 3.215 0.000 -3.767) 4.952 23.024 ( 1.170 0.000 1.279) 1.734 23.603 ( 0.635 0.000 0.324) 0.713 26.735 ( 0.131 0.000 -0.791) 0.802 26.776 ( -0.313 -0.000 0.824) 0.881 29.329 ( -10.104 -0.000 -4.778) 11.177 29.494 ( -9.606 -0.000 6.578) 11.643 30.055 ( -0.821 -0.000 1.820) 1.996 30.398 ( 14.215 0.000 0.970) 14.248 30.711 ( -7.745 -0.000 -1.909) 7.977 30.869 ( 0.837 0.000 -0.231) 0.868 30.919 ( -2.938 -0.000 -0.725) 3.027 31.729 ( -1.761 -0.000 11.846) 11.976 32.203 ( 0.976 0.000 2.382) 2.574 32.277 ( -1.651 -0.000 -0.772) 1.822 32.531 ( 2.273 0.000 -2.948) 3.723 33.148 ( 3.139 0.000 -4.300) 5.324 33.506 ( -4.236 -0.000 4.243) 5.996 33.997 ( 5.664 0.000 -2.579) 6.224 35.613 ( -3.717 -0.000 -8.431) 9.214 35.753 ( 2.196 0.000 3.717) 4.317 36.143 ( -2.252 -0.000 7.452) 7.785 36.368 ( 1.965 0.000 -30.014) 30.079 36.392 ( -3.762 -0.000 8.323) 9.134 36.753 ( 3.050 0.000 -3.190) 4.413 37.165 ( -7.050 -0.000 17.822) 19.166 38.641 ( 10.877 0.000 -4.582) 11.803 ======================= Grid point 127 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -4.251 2.631 -4.976) 7.054 1.091 ( -0.583 -1.586 -2.188) 2.765 1.449 ( -27.914 -7.085 -7.446) 29.746 1.519 ( -25.867 -11.221 0.613) 28.203 2.088 ( -23.411 -1.299 2.727) 23.606 2.594 ( 12.089 13.406 -9.534) 20.415 2.700 ( -0.681 2.162 -3.774) 4.402 2.890 ( 0.645 -2.783 -4.920) 5.690 3.042 ( -8.531 0.403 9.223) 12.570 3.113 ( 5.482 -7.557 -3.848) 10.098 3.306 ( -15.829 -5.363 -0.184) 16.714 3.475 ( 8.015 0.645 4.336) 9.135 3.648 ( 1.360 2.613 7.161) 7.743 3.700 ( 10.341 -3.157 8.512) 13.761 3.874 ( 3.700 5.163 -7.221) 9.618 3.938 ( -6.308 0.021 5.686) 8.493 3.982 ( 4.067 -3.534 -7.489) 9.226 4.181 ( -8.495 11.824 7.848) 16.539 4.368 ( -6.032 -2.798 5.554) 8.664 4.506 ( 1.350 -2.475 -0.302) 2.835 4.637 ( 1.073 -3.617 -0.753) 3.848 4.773 ( 8.194 1.493 2.011) 8.568 4.829 ( -1.919 -0.968 0.913) 2.335 4.895 ( 9.221 3.312 1.017) 9.850 5.040 ( 8.903 -8.137 2.903) 12.406 5.237 ( 3.876 -1.363 1.654) 4.429 5.433 ( 11.524 1.152 -4.707) 12.502 5.548 ( -2.305 3.941 -3.497) 5.751 5.784 ( 2.132 -0.559 -3.277) 3.949 5.875 ( -1.897 -2.654 -2.335) 4.012 6.108 ( 7.138 4.719 0.315) 8.563 6.203 ( 4.261 -2.832 0.075) 5.116 6.296 ( 3.672 -1.050 -3.173) 4.966 6.466 ( 0.532 2.957 0.905) 3.137 6.759 ( 0.049 2.744 3.325) 4.311 7.022 ( 1.491 0.926 2.469) 3.029 7.153 ( -1.977 1.316 -1.472) 2.794 7.218 ( 1.446 0.177 -5.807) 5.987 7.666 ( 2.523 5.692 -0.238) 6.231 7.806 ( -0.247 -2.368 2.681) 3.586 8.817 ( 1.398 1.398 -1.012) 2.221 9.034 ( 0.897 0.639 1.400) 1.781 9.064 ( 2.085 -1.489 -2.128) 3.331 9.385 ( 1.030 0.266 -3.792) 3.939 9.632 ( -8.384 1.524 -0.607) 8.543 9.667 ( -8.295 0.403 1.187) 8.389 9.694 ( -1.186 0.331 -2.180) 2.504 9.822 ( 3.897 -3.861 0.837) 5.549 10.030 ( 4.488 -0.597 1.434) 4.749 10.117 ( -0.846 3.327 2.512) 4.254 10.281 ( 6.628 3.036 -4.674) 8.660 10.447 ( -5.057 -6.310 -0.401) 8.096 11.417 ( -4.375 0.618 1.261) 4.595 11.428 ( -3.821 -0.020 0.904) 3.926 11.747 ( -1.664 2.071 0.755) 2.762 11.785 ( -3.164 -1.548 0.668) 3.585 12.890 ( 14.273 8.809 -0.213) 16.774 13.033 ( 7.836 -4.634 -0.348) 9.111 13.241 ( 2.416 -1.637 0.204) 2.925 13.368 ( 0.366 -6.254 0.481) 6.283 13.560 ( 3.070 5.380 0.879) 6.257 13.693 ( 2.052 -5.902 -0.421) 6.262 13.860 ( 2.348 0.950 -0.937) 2.701 13.940 ( -2.151 -3.627 0.058) 4.218 14.305 ( -17.513 20.985 -0.302) 27.335 14.371 ( 0.269 3.301 -0.647) 3.375 14.485 ( -1.059 -0.029 0.246) 1.087 14.844 ( -9.755 -21.287 0.232) 23.417 15.408 ( -4.598 -2.057 0.065) 5.037 15.646 ( -3.916 0.189 1.079) 4.067 15.720 ( -0.380 -1.115 1.264) 1.728 15.882 ( -0.741 2.751 -1.679) 3.307 16.580 ( -2.102 -0.816 -0.386) 2.288 16.695 ( -1.314 0.338 -0.428) 1.423 16.708 ( -1.405 -1.038 0.515) 1.821 17.029 ( 2.941 2.806 -1.367) 4.288 19.288 ( 7.621 1.168 2.715) 8.174 19.443 ( 4.356 0.492 -3.012) 5.319 20.206 ( -3.073 7.088 2.284) 8.056 20.373 ( -1.349 -7.557 -1.776) 7.879 21.215 ( -1.345 0.841 9.749) 9.878 21.604 ( 2.290 0.270 -3.545) 4.228 23.074 ( 1.466 -3.768 2.810) 4.924 23.600 ( -0.478 0.509 -1.078) 1.284 26.724 ( 0.409 1.677 -0.440) 1.782 26.783 ( -0.478 -1.404 0.398) 1.536 29.090 ( -6.902 8.087 -1.159) 10.695 29.445 ( -9.957 -10.804 2.225) 14.860 30.004 ( -12.251 -3.238 5.632) 13.867 30.548 ( 5.652 5.617 -1.428) 8.095 30.698 ( 5.234 -8.235 -1.221) 9.833 30.913 ( 1.672 -0.436 -0.017) 1.728 30.915 ( 5.610 -2.563 -1.052) 6.257 31.751 ( -1.097 8.748 14.458) 16.934 32.225 ( -0.308 -0.315 1.871) 1.922 32.252 ( -1.761 -1.569 -0.227) 2.369 32.544 ( 0.560 -0.474 -1.699) 1.851 33.099 ( -0.420 4.054 -13.276) 13.888 33.490 ( -2.839 -3.141 4.746) 6.360 34.063 ( 4.737 1.277 -2.434) 5.477 35.515 ( -2.191 0.669 -6.071) 6.489 35.807 ( 1.833 -0.723 1.727) 2.620 36.125 ( -2.598 4.638 -26.467) 26.995 36.166 ( -2.303 0.830 3.570) 4.329 36.397 ( -2.977 -5.078 0.998) 5.971 36.772 ( 1.796 -0.016 -3.520) 3.952 37.233 ( -3.438 -2.137 27.372) 27.669 38.784 ( 12.134 2.953 -5.359) 13.589 ======================= Grid point 135 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -13.850 -0.000 -4.164) 14.463 0.917 ( -29.965 -0.000 -2.129) 30.041 1.068 ( -20.974 -0.000 -0.720) 20.986 1.119 ( 1.694 0.000 1.881) 2.531 1.542 ( -42.700 -0.000 2.279) 42.760 2.612 ( -2.178 -0.000 -5.304) 5.734 2.769 ( -9.318 -0.000 3.039) 9.801 2.808 ( 0.764 0.000 -3.640) 3.719 2.914 ( -9.303 -0.000 -11.625) 14.889 3.059 ( -13.609 -0.000 3.972) 14.177 3.071 ( 1.687 0.000 -3.493) 3.879 3.596 ( 0.789 0.000 3.969) 4.047 3.657 ( -6.268 -0.000 -2.388) 6.707 3.734 ( 0.361 0.000 10.807) 10.813 3.837 ( 6.256 0.000 -10.474) 12.200 4.114 ( 9.408 0.000 11.361) 14.751 4.123 ( -4.840 -0.000 10.262) 11.346 4.256 ( 13.537 0.000 -2.201) 13.715 4.293 ( 0.959 0.000 7.056) 7.121 4.504 ( 1.434 0.000 -0.799) 1.641 4.695 ( 7.550 0.000 2.923) 8.096 4.795 ( 1.287 0.000 -6.281) 6.412 4.865 ( 0.468 0.000 5.993) 6.011 5.034 ( -1.589 -0.000 -0.337) 1.624 5.174 ( 8.156 0.000 8.790) 11.991 5.298 ( 4.330 0.000 -1.226) 4.500 5.505 ( -0.001 -0.000 -5.177) 5.177 5.624 ( 16.205 0.000 -12.837) 20.674 5.820 ( -1.644 -0.000 -1.141) 2.001 5.825 ( 2.490 0.000 2.231) 3.344 6.219 ( 10.840 0.000 -10.886) 15.363 6.302 ( 6.366 0.000 2.603) 6.878 6.409 ( 11.118 0.000 4.578) 12.024 6.515 ( 3.168 0.000 2.333) 3.934 6.808 ( 0.932 0.000 2.647) 2.806 6.990 ( -3.821 -0.000 -5.469) 6.671 7.186 ( 5.188 0.000 6.463) 8.288 7.216 ( 0.578 0.000 -8.262) 8.282 7.706 ( -0.786 -0.000 -1.527) 1.717 7.754 ( -7.356 -0.000 3.735) 8.250 8.861 ( 3.726 0.000 -1.492) 4.013 8.988 ( -1.677 -0.000 -0.604) 1.782 9.150 ( 4.552 0.000 0.504) 4.580 9.323 ( -12.304 -0.000 -2.687) 12.594 9.437 ( -7.167 -0.000 0.359) 7.176 9.466 ( -13.757 -0.000 0.442) 13.764 9.735 ( 4.362 0.000 -3.468) 5.573 9.905 ( 7.031 0.000 0.792) 7.076 10.132 ( -0.414 -0.000 -0.250) 0.484 10.138 ( 6.422 0.000 1.526) 6.601 10.318 ( -3.555 -0.000 1.584) 3.892 10.435 ( 10.363 0.000 -3.259) 10.864 11.338 ( -6.646 -0.000 0.827) 6.698 11.361 ( -5.573 -0.000 0.491) 5.594 11.711 ( -3.446 -0.000 0.275) 3.457 11.714 ( -5.588 -0.000 1.244) 5.725 13.106 ( 6.657 0.000 -0.910) 6.719 13.155 ( 8.746 0.000 0.265) 8.750 13.298 ( 4.015 0.000 0.178) 4.019 13.314 ( -1.054 -0.000 0.642) 1.234 13.659 ( 2.187 0.000 -1.093) 2.445 13.743 ( 8.706 0.000 2.266) 8.996 13.881 ( -2.188 -0.000 -0.583) 2.265 13.926 ( 6.296 0.000 -0.931) 6.364 14.116 ( -18.629 -0.000 -2.047) 18.741 14.412 ( 1.682 0.000 -0.860) 1.889 14.487 ( -9.099 -0.000 -0.330) 9.105 14.517 ( -2.759 -0.000 0.619) 2.827 15.351 ( -0.806 -0.000 0.442) 0.919 15.593 ( -3.132 -0.000 0.224) 3.140 15.713 ( -1.033 -0.000 1.875) 2.141 15.839 ( -4.966 -0.000 -1.404) 5.160 16.556 ( -0.350 -0.000 0.664) 0.750 16.647 ( -3.585 -0.000 -0.590) 3.633 16.686 ( -1.086 -0.000 -1.597) 1.931 17.059 ( -0.273 -0.000 -6.005) 6.011 19.439 ( 7.288 0.000 2.962) 7.867 19.502 ( 5.269 0.000 -4.145) 6.704 20.250 ( -1.325 -0.000 -3.999) 4.212 20.257 ( -2.487 -0.000 2.960) 3.866 21.282 ( 0.446 0.000 13.787) 13.794 21.616 ( 1.677 0.000 -3.380) 3.774 23.091 ( 1.130 0.000 3.385) 3.569 23.586 ( -0.411 -0.000 -2.095) 2.135 26.738 ( 0.550 0.000 -0.472) 0.725 26.770 ( -0.504 -0.000 0.407) 0.648 29.007 ( -6.806 -0.000 -0.709) 6.843 29.260 ( -7.108 -0.000 1.762) 7.323 29.768 ( -17.171 -0.000 4.389) 17.723 30.632 ( 3.453 0.000 -0.856) 3.558 30.752 ( 5.124 0.000 -1.216) 5.266 30.953 ( 3.566 0.000 0.054) 3.566 31.020 ( 10.853 0.000 -3.609) 11.437 31.878 ( -1.063 -0.000 8.365) 8.432 32.205 ( -2.326 -0.000 -0.316) 2.348 32.214 ( -1.808 -0.000 0.715) 1.944 32.530 ( -0.745 -0.000 -1.240) 1.446 32.906 ( -10.558 -0.000 -41.297) 42.625 33.465 ( -1.690 -0.000 5.523) 5.776 34.114 ( 3.026 0.000 -3.612) 4.712 35.469 ( -0.270 -0.000 -2.753) 2.766 35.830 ( 0.847 0.000 -0.072) 0.850 35.869 ( -7.809 -0.000 -27.486) 28.574 36.180 ( -1.522 -0.000 7.140) 7.300 36.326 ( -4.038 -0.000 3.465) 5.321 36.769 ( 0.969 0.000 -4.323) 4.430 37.491 ( 10.080 0.000 48.356) 49.396 38.968 ( 12.220 0.000 -4.830) 13.140 ======================= Grid point 136 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 18.569 0.000 6.199) 19.576 0.627 ( -8.292 -0.000 -0.091) 8.293 1.148 ( 13.388 0.000 26.601) 29.780 1.460 ( 6.663 0.000 17.600) 18.819 1.721 ( -10.324 -0.000 -21.337) 23.704 1.911 ( -1.878 -0.000 -0.004) 1.878 2.176 ( -2.324 -0.000 14.397) 14.583 2.589 ( -3.368 -0.000 -8.196) 8.861 2.790 ( 4.767 0.000 5.058) 6.950 2.984 ( 6.660 0.000 -12.965) 14.575 3.223 ( -7.486 -0.000 18.523) 19.979 3.472 ( 4.352 0.000 -8.306) 9.378 3.548 ( -4.577 -0.000 4.474) 6.400 3.857 ( 10.078 0.000 -13.916) 17.182 3.890 ( 0.332 0.000 -11.821) 11.826 3.897 ( -4.944 -0.000 -2.396) 5.494 4.141 ( -5.483 -0.000 10.739) 12.058 4.249 ( -0.461 -0.000 0.705) 0.842 4.637 ( 6.564 0.000 4.676) 8.059 4.701 ( -13.319 -0.000 1.610) 13.416 4.715 ( 3.138 0.000 3.076) 4.394 4.821 ( 0.374 0.000 -6.953) 6.963 4.975 ( -4.859 -0.000 4.026) 6.310 5.045 ( 2.555 0.000 -2.306) 3.442 5.365 ( -3.724 -0.000 3.251) 4.943 5.420 ( 4.317 0.000 1.828) 4.688 5.484 ( -10.893 -0.000 3.652) 11.489 5.645 ( 4.644 0.000 -8.873) 10.015 5.720 ( 0.680 0.000 2.806) 2.887 5.812 ( 9.901 0.000 -4.616) 10.924 6.396 ( -2.868 -0.000 0.526) 2.916 6.441 ( 6.261 0.000 -2.289) 6.667 6.582 ( -3.469 -0.000 0.355) 3.487 6.643 ( 0.519 0.000 -4.049) 4.082 7.039 ( 1.756 0.000 3.696) 4.092 7.098 ( -3.235 -0.000 -2.709) 4.220 7.473 ( -2.118 -0.000 2.842) 3.545 7.498 ( 1.236 0.000 0.588) 1.369 7.709 ( -1.014 -0.000 2.724) 2.906 7.761 ( 8.581 0.000 -1.927) 8.794 8.921 ( -1.493 -0.000 -0.644) 1.626 8.921 ( 1.824 0.000 -0.645) 1.935 9.073 ( 4.350 0.000 0.031) 4.350 9.084 ( -2.362 -0.000 -0.786) 2.490 9.302 ( 1.726 0.000 2.562) 3.089 9.352 ( -1.452 -0.000 -2.159) 2.602 9.843 ( 6.225 0.000 -0.932) 6.295 9.847 ( -8.727 -0.000 -1.138) 8.801 10.175 ( 4.146 0.000 1.806) 4.522 10.186 ( -5.127 -0.000 0.967) 5.217 10.500 ( 1.941 0.000 4.241) 4.664 10.585 ( -2.017 -0.000 -3.776) 4.281 11.155 ( -0.214 -0.000 2.056) 2.067 11.195 ( 0.670 0.000 -1.542) 1.681 11.563 ( 2.993 0.000 0.018) 2.993 11.581 ( -2.809 -0.000 -1.800) 3.336 13.221 ( 0.019 0.000 0.730) 0.731 13.239 ( -0.364 -0.000 -0.966) 1.032 13.318 ( -0.534 -0.000 -0.148) 0.554 13.326 ( 0.580 0.000 -0.965) 1.126 13.596 ( 8.201 0.000 1.098) 8.274 13.616 ( -14.078 -0.000 -0.666) 14.094 13.771 ( 2.191 0.000 2.149) 3.069 13.813 ( -2.770 -0.000 -1.767) 3.286 14.195 ( 0.753 0.000 1.389) 1.579 14.218 ( 1.450 0.000 -0.752) 1.633 14.309 ( -0.284 -0.000 1.612) 1.637 14.339 ( -0.882 -0.000 -1.277) 1.552 15.361 ( -1.849 -0.000 1.564) 2.422 15.394 ( 0.274 0.000 -1.513) 1.538 15.660 ( 0.212 0.000 0.044) 0.216 15.661 ( -0.059 -0.000 -0.080) 0.099 16.515 ( -3.481 -0.000 0.527) 3.520 16.543 ( 4.920 0.000 -2.095) 5.347 16.665 ( 4.091 0.000 1.471) 4.347 16.686 ( -4.567 -0.000 -0.496) 4.594 19.582 ( -3.603 -0.000 1.052) 3.753 19.605 ( 3.505 0.000 -1.128) 3.682 20.104 ( -5.133 -0.000 3.081) 5.987 20.170 ( 3.937 0.000 -3.146) 5.040 21.463 ( -5.572 -0.000 3.934) 6.820 21.548 ( 2.922 0.000 -4.149) 5.075 23.288 ( -0.909 -0.000 7.427) 7.482 23.438 ( 0.710 0.000 -6.692) 6.730 26.754 ( 0.589 0.000 0.105) 0.598 26.756 ( -0.579 -0.000 -0.105) 0.588 28.959 ( 1.627 0.000 3.364) 3.737 29.030 ( -2.149 -0.000 -3.273) 3.915 29.489 ( -1.046 -0.000 2.265) 2.494 29.543 ( -2.924 -0.000 -2.847) 4.081 30.749 ( 0.788 0.000 1.973) 2.124 30.786 ( -0.491 -0.000 -1.521) 1.598 31.126 ( 1.732 0.000 3.946) 4.310 31.217 ( -2.244 -0.000 -4.582) 5.102 32.156 ( -0.338 -0.000 0.471) 0.580 32.167 ( 0.421 0.000 -0.577) 0.715 32.481 ( 2.987 0.000 -0.082) 2.988 32.486 ( -0.100 -0.000 -0.657) 0.665 33.708 ( -1.795 -0.000 11.132) 11.276 33.935 ( 1.394 0.000 -10.289) 10.383 35.606 ( 1.430 0.000 5.392) 5.579 35.720 ( -0.975 -0.000 -5.355) 5.443 36.067 ( 9.484 0.000 3.439) 10.088 36.147 ( -6.401 -0.000 -3.951) 7.522 36.400 ( -2.450 -0.000 9.726) 10.030 36.595 ( 2.356 0.000 -8.783) 9.094 39.091 ( -4.020 -0.000 3.151) 5.108 39.152 ( 3.475 0.000 -2.595) 4.336 ======================= Grid point 137 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 1.034 -11.783 -9.391) 15.103 0.867 ( 13.607 -3.644 0.181) 14.088 1.612 ( 18.896 -3.866 -9.126) 21.338 1.640 ( 12.474 -0.889 0.468) 12.514 1.723 ( 6.131 1.971 7.882) 10.179 1.832 ( 11.806 -4.322 -1.051) 12.616 2.417 ( 3.859 -11.926 19.003) 22.765 2.514 ( -3.150 -10.394 -13.960) 17.687 2.935 ( 9.274 -0.993 2.463) 9.647 2.992 ( 5.198 2.728 -11.357) 12.784 3.254 ( -2.892 -4.008 10.483) 11.589 3.464 ( 1.987 4.363 -1.336) 4.977 3.557 ( -0.513 1.528 4.751) 5.016 3.726 ( 4.055 4.990 -8.483) 10.644 3.852 ( -0.285 -2.800 -5.366) 6.059 3.993 ( 7.090 0.266 -5.779) 9.151 4.144 ( -4.377 -1.278 8.857) 9.962 4.255 ( -3.584 -1.549 4.835) 6.215 4.482 ( -8.905 4.282 -1.336) 9.971 4.675 ( -2.288 2.929 5.929) 6.997 4.769 ( -0.020 0.224 -1.343) 1.361 4.841 ( 1.607 -3.416 0.397) 3.796 4.939 ( -3.317 0.270 10.690) 11.196 5.084 ( 2.806 0.215 -3.306) 4.342 5.197 ( -12.357 4.572 -1.198) 13.231 5.346 ( -9.157 -0.224 0.981) 9.212 5.396 ( -10.023 -3.373 5.321) 11.838 5.669 ( -5.624 -1.327 -0.268) 5.785 5.743 ( 6.220 -5.029 -5.174) 9.527 5.909 ( 8.682 3.317 -8.960) 12.910 6.374 ( -0.845 0.257 -0.226) 0.911 6.448 ( -4.149 4.649 -5.443) 8.273 6.520 ( -4.679 0.287 5.004) 6.857 6.542 ( -8.602 1.204 -2.964) 9.177 6.932 ( -7.552 6.475 2.397) 10.232 6.996 ( -2.813 4.376 -3.166) 6.090 7.418 ( -6.878 2.046 3.462) 7.967 7.474 ( -6.651 -0.986 -1.706) 6.937 7.671 ( -2.553 9.210 0.296) 9.562 7.691 ( 2.596 4.755 -2.090) 5.807 8.868 ( -2.481 3.063 -1.150) 4.107 8.929 ( -0.085 0.571 0.166) 0.600 9.132 ( 6.925 1.700 -1.448) 7.276 9.223 ( 14.159 -0.389 0.135) 14.164 9.321 ( -1.057 -1.273 -2.101) 2.674 9.359 ( 2.610 -2.184 1.051) 3.562 9.717 ( -5.222 1.599 0.459) 5.480 9.923 ( 4.215 0.339 0.713) 4.288 10.081 ( -5.373 2.999 -0.401) 6.166 10.224 ( 0.849 -0.803 2.312) 2.591 10.488 ( -7.909 -2.435 1.001) 8.336 10.521 ( -4.658 -3.765 -2.130) 6.357 11.222 ( 7.083 2.260 0.899) 7.489 11.275 ( 6.863 -0.746 -0.662) 6.935 11.569 ( 4.214 0.618 -0.634) 4.306 11.614 ( 4.316 3.133 0.740) 5.384 13.169 ( -5.354 0.329 -0.504) 5.388 13.217 ( -1.849 -2.355 0.889) 3.123 13.270 ( -3.024 4.714 0.422) 5.616 13.366 ( 2.579 -2.517 -0.365) 3.622 13.612 ( 9.515 6.290 -0.154) 11.408 13.722 ( -5.070 3.753 -0.877) 6.369 13.816 ( 1.668 -0.335 1.948) 2.586 13.966 ( 24.356 -9.113 2.199) 26.098 14.022 ( -9.484 1.553 -0.946) 9.657 14.180 ( -8.616 -9.235 -0.519) 12.641 14.443 ( 4.195 -8.579 -1.243) 9.631 14.542 ( 5.750 -18.363 1.545) 19.305 15.355 ( -0.175 -1.072 1.157) 1.587 15.384 ( 0.259 -1.258 0.585) 1.411 15.695 ( 4.128 1.255 0.350) 4.329 15.727 ( 6.053 -0.546 -0.395) 6.091 16.495 ( 0.271 -0.662 0.565) 0.912 16.605 ( 0.879 -0.753 -1.923) 2.244 16.664 ( 4.575 -1.273 -2.704) 5.464 16.747 ( 4.374 -0.081 2.032) 4.824 19.466 ( -8.216 4.083 0.752) 9.205 19.593 ( -1.924 2.299 -0.668) 3.071 20.078 ( -2.317 -1.716 3.420) 4.473 20.248 ( 5.652 -3.012 -2.382) 6.833 21.393 ( -5.279 2.081 6.986) 9.000 21.557 ( 2.351 2.230 -3.551) 4.807 23.304 ( -1.754 2.347 7.239) 7.809 23.414 ( 1.235 -1.645 -6.225) 6.556 26.740 ( -0.945 0.676 -0.131) 1.169 26.768 ( 0.655 -0.801 0.100) 1.040 28.994 ( -0.657 -0.739 -0.332) 1.043 29.205 ( 6.659 -20.212 0.245) 21.283 29.641 ( 17.982 -0.220 7.193) 19.368 29.738 ( 22.490 -5.529 -4.508) 23.594 30.747 ( -2.627 0.546 -0.613) 2.752 30.775 ( -0.207 -1.561 0.358) 1.615 31.117 ( -5.785 0.221 -1.508) 5.983 31.166 ( -2.153 -3.304 2.210) 4.521 32.175 ( 1.749 -0.326 0.270) 1.800 32.185 ( 1.529 -0.973 -0.224) 1.826 32.493 ( 1.506 -0.357 -1.682) 2.286 32.548 ( 5.759 -1.441 -3.289) 6.787 33.740 ( -2.599 0.522 11.237) 11.545 33.884 ( 0.871 0.685 -10.261) 10.320 35.667 ( 1.450 -0.137 3.804) 4.073 35.670 ( -0.936 -0.447 -4.536) 4.654 36.028 ( -5.467 -2.042 -6.531) 8.759 36.228 ( 7.695 -0.957 2.269) 8.079 36.420 ( -2.214 0.268 9.015) 9.287 36.579 ( 2.546 -0.205 -8.917) 9.276 38.835 ( -20.148 12.209 10.330) 25.724 39.035 ( -8.869 8.518 -6.606) 13.959 ======================= Grid point 138 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 8.433 -11.167 -6.567) 15.458 1.026 ( 4.506 -0.225 -0.513) 4.540 1.595 ( 4.371 0.325 -21.931) 22.364 1.835 ( 3.641 8.692 18.788) 21.019 1.988 ( 26.916 -8.606 -14.318) 31.679 2.274 ( 4.668 -12.582 -5.404) 14.467 2.455 ( 9.883 -12.134 -2.721) 15.884 2.747 ( 1.789 -4.581 14.908) 15.698 3.034 ( 8.338 -4.330 -5.423) 10.848 3.141 ( 12.297 -3.617 1.618) 12.920 3.252 ( -5.016 1.228 0.718) 5.214 3.420 ( -1.856 3.378 -0.072) 3.855 3.561 ( 3.990 5.042 3.490) 7.316 3.831 ( 8.761 -3.062 -1.889) 9.471 3.899 ( 6.890 2.532 -1.977) 7.602 3.942 ( -9.628 2.244 0.808) 9.919 4.122 ( 2.400 0.280 -5.436) 5.949 4.168 ( -8.512 2.208 3.105) 9.326 4.394 ( -2.743 3.025 7.506) 8.545 4.620 ( -3.883 2.292 4.694) 6.508 4.705 ( -9.726 4.516 1.369) 10.810 4.842 ( -1.439 -1.786 -0.098) 2.295 4.975 ( -8.381 -2.775 6.437) 10.926 5.006 ( -1.281 0.358 5.451) 5.611 5.031 ( -5.401 -0.320 -0.969) 5.497 5.219 ( -6.031 -1.362 2.460) 6.654 5.321 ( -8.450 -5.039 -0.666) 9.861 5.610 ( -2.682 -5.637 -1.235) 6.364 5.839 ( 3.091 4.765 -5.988) 8.254 5.937 ( 6.850 -0.445 -5.504) 8.798 6.115 ( -14.658 8.978 -6.107) 18.242 6.341 ( -2.835 1.941 -1.447) 3.728 6.424 ( -5.788 -0.301 1.216) 5.922 6.447 ( -6.179 1.468 1.331) 6.489 6.775 ( -5.946 2.043 -0.204) 6.291 6.976 ( 3.997 1.956 -1.821) 4.808 7.199 ( -14.693 3.783 4.725) 15.891 7.368 ( -1.732 0.468 -4.969) 5.283 7.608 ( 2.346 7.102 0.268) 7.484 7.744 ( 6.816 3.571 0.671) 7.724 8.797 ( -0.438 3.468 -1.336) 3.742 8.934 ( -0.032 -1.057 1.204) 1.603 9.148 ( 0.007 5.692 1.379) 5.856 9.298 ( -0.644 -1.116 -4.417) 4.601 9.445 ( 10.482 0.963 -0.694) 10.548 9.501 ( 12.358 -1.389 1.100) 12.485 9.672 ( -0.073 -0.584 -0.336) 0.678 9.948 ( -4.291 -2.669 2.573) 5.670 10.022 ( 5.666 5.098 -2.988) 8.186 10.235 ( -3.191 -1.718 0.412) 3.648 10.366 ( -11.582 -4.004 0.907) 12.288 10.470 ( -3.987 -5.022 -1.680) 6.628 11.333 ( 8.666 2.378 0.774) 9.020 11.357 ( 5.412 2.044 -0.018) 5.786 11.649 ( 3.463 2.858 1.180) 4.643 11.684 ( 8.049 -0.142 0.823) 8.092 13.019 ( -12.763 6.560 -0.047) 14.350 13.117 ( -4.681 1.164 0.276) 4.832 13.282 ( 1.385 -3.477 0.949) 3.862 13.442 ( 2.388 -4.386 -0.071) 4.995 13.546 ( -6.367 5.520 -0.281) 8.431 13.716 ( 11.594 11.088 0.071) 16.043 13.835 ( 0.819 2.239 -1.008) 2.588 13.940 ( -0.478 -2.472 0.992) 2.706 14.120 ( -11.962 -12.737 -0.934) 17.499 14.330 ( 8.756 -2.233 0.543) 9.053 14.517 ( -1.510 -5.579 -2.286) 6.216 14.875 ( 7.152 -21.295 1.899) 22.544 15.405 ( 3.101 -3.845 -0.378) 4.953 15.471 ( 5.284 -3.223 2.978) 6.869 15.744 ( 3.160 2.300 1.036) 4.043 15.809 ( 3.553 0.030 -0.656) 3.613 16.525 ( 2.282 0.288 0.080) 2.301 16.630 ( 1.962 -2.845 -0.108) 3.458 16.748 ( 5.208 -0.886 -3.392) 6.278 16.819 ( 3.161 0.689 1.950) 3.778 19.295 ( -6.563 5.325 1.379) 8.563 19.511 ( -4.351 2.276 -1.001) 5.011 20.092 ( -1.014 -1.943 2.950) 3.675 20.362 ( 5.109 -3.910 -1.552) 6.618 21.346 ( -3.862 2.110 8.105) 9.223 21.538 ( 2.121 3.177 -4.452) 5.866 23.284 ( -1.257 3.630 5.482) 6.694 23.442 ( 1.659 -4.177 -3.476) 5.682 26.714 ( -1.007 1.110 -0.139) 1.505 26.790 ( 0.733 -1.171 0.032) 1.382 28.990 ( -0.218 0.186 0.211) 0.356 29.458 ( 4.865 -12.984 -0.287) 13.868 30.128 ( 23.666 -7.553 10.473) 26.959 30.165 ( 22.484 -5.885 0.401) 23.245 30.664 ( -6.305 0.497 -0.735) 6.367 30.792 ( 0.064 -1.234 0.502) 1.334 31.013 ( -5.458 -0.463 -1.015) 5.571 31.202 ( -0.392 -4.950 4.723) 6.853 32.202 ( 0.747 -0.912 0.937) 1.506 32.234 ( 2.506 -1.213 0.326) 2.803 32.511 ( 2.399 0.508 -2.774) 3.703 32.649 ( 6.564 -3.597 -5.431) 9.248 33.753 ( -2.895 1.078 9.841) 10.315 33.833 ( 1.157 0.453 -8.577) 8.666 35.602 ( -2.924 -0.587 -6.209) 6.888 35.733 ( 2.089 -0.167 4.310) 4.793 35.938 ( -3.142 -3.421 -9.368) 10.457 36.353 ( 3.045 -0.903 5.690) 6.516 36.436 ( 0.099 0.837 4.584) 4.661 36.580 ( 3.335 -1.209 -7.739) 8.513 38.430 ( -20.814 15.721 12.378) 28.872 38.695 ( -11.750 8.546 -11.629) 18.610 ======================= Grid point 139 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 4.824 -1.258 -3.624) 6.163 1.043 ( 0.571 -0.054 -0.090) 0.580 1.627 ( 10.561 -2.036 -6.561) 12.599 1.895 ( 3.578 1.714 4.120) 5.719 2.248 ( -1.530 -12.135 -15.265) 19.561 2.356 ( 10.442 -4.266 -8.577) 14.170 2.802 ( 0.001 -1.673 7.155) 7.348 2.882 ( 12.881 -5.631 9.170) 16.785 3.073 ( -8.244 5.398 2.566) 10.182 3.176 ( 1.350 -0.809 2.090) 2.616 3.351 ( 7.251 0.425 0.874) 7.316 3.419 ( 3.172 -7.445 -5.499) 9.784 3.589 ( 5.716 9.369 2.352) 11.224 3.737 ( -7.937 -2.435 3.063) 8.849 3.887 ( -2.368 7.825 -4.522) 9.343 3.940 ( 1.451 11.996 2.379) 12.315 4.030 ( -3.648 -0.420 0.457) 3.700 4.178 ( 5.971 -2.505 -11.869) 13.520 4.394 ( -2.354 -2.474 10.070) 10.633 4.521 ( -1.660 -1.078 0.313) 2.004 4.607 ( -2.110 -0.882 4.028) 4.632 4.806 ( -7.323 0.144 3.209) 7.996 4.921 ( -3.620 -4.757 -1.972) 6.294 4.998 ( -0.553 2.017 3.236) 3.853 5.054 ( 0.472 -4.881 -1.981) 5.288 5.182 ( -5.043 -2.309 7.056) 8.975 5.204 ( -9.904 -1.452 3.119) 10.485 5.644 ( -1.747 -2.993 -2.413) 4.223 5.716 ( 0.545 6.559 -4.407) 7.921 5.864 ( -2.120 -0.013 -5.822) 6.196 6.078 ( 5.120 -1.268 2.803) 5.973 6.252 ( -3.732 1.175 -2.839) 4.834 6.313 ( -5.602 7.213 0.910) 9.178 6.362 ( -2.560 -0.103 -1.360) 2.901 6.716 ( -1.388 -1.949 -2.770) 3.660 6.929 ( -8.583 -1.222 6.104) 10.603 7.112 ( 3.236 2.573 1.055) 4.266 7.322 ( 0.398 1.340 -5.625) 5.796 7.561 ( 0.312 5.418 -0.097) 5.428 7.810 ( 4.102 2.202 0.936) 4.749 8.773 ( 0.974 1.464 -1.173) 2.114 8.928 ( -3.007 0.548 2.568) 3.992 9.124 ( 2.897 1.564 -0.476) 3.326 9.279 ( 0.478 -0.159 -2.663) 2.711 9.557 ( 7.675 3.549 -0.980) 8.513 9.669 ( -1.475 -1.872 0.697) 2.483 9.708 ( 10.565 0.629 -0.790) 10.614 9.956 ( -1.236 -3.972 2.831) 5.031 10.028 ( 2.720 4.586 -3.013) 6.125 10.160 ( -5.162 0.033 -1.746) 5.449 10.215 ( -12.506 -3.694 1.325) 13.107 10.513 ( 2.032 -5.519 -0.501) 5.902 11.434 ( 6.294 0.911 -0.069) 6.360 11.445 ( 5.789 0.998 1.242) 6.004 11.673 ( 2.198 2.398 0.881) 3.370 11.795 ( 4.410 -0.138 0.537) 4.444 12.710 ( -13.975 6.931 0.202) 15.601 13.067 ( -1.551 0.314 0.151) 1.589 13.334 ( -1.642 -5.550 0.051) 5.788 13.416 ( -1.982 5.893 0.306) 6.225 13.515 ( 1.782 -2.712 -0.090) 3.247 13.770 ( 3.468 3.219 -0.633) 4.774 13.829 ( 7.934 8.918 -1.345) 12.012 13.990 ( -1.432 -3.947 0.455) 4.223 14.066 ( -7.585 -10.945 0.395) 13.322 14.365 ( -2.429 -0.612 -0.032) 2.505 14.518 ( -2.089 -1.736 0.034) 2.717 15.139 ( 5.975 -8.511 -0.888) 10.437 15.508 ( 3.241 -5.129 -0.631) 6.100 15.600 ( 4.204 -2.929 1.432) 5.320 15.756 ( 0.616 2.447 1.468) 2.919 15.829 ( 0.015 0.448 -0.325) 0.554 16.570 ( 3.180 -1.419 -0.422) 3.508 16.684 ( 0.996 -0.864 -0.306) 1.354 16.789 ( 1.084 0.736 0.455) 1.387 16.857 ( 2.188 0.310 -1.091) 2.465 19.194 ( -1.726 3.513 2.110) 4.446 19.415 ( -3.967 1.115 -1.487) 4.380 20.116 ( -0.461 -1.638 2.300) 2.862 20.452 ( 3.007 -2.207 -1.295) 3.949 21.325 ( -2.846 1.307 7.940) 8.536 21.513 ( 2.142 2.181 -5.361) 6.172 23.270 ( -0.101 3.238 4.826) 5.813 23.488 ( 0.745 -4.144 -2.597) 4.947 26.689 ( -0.630 0.790 -0.116) 1.017 26.811 ( 0.489 -0.794 -0.047) 0.934 28.987 ( 0.048 0.445 0.528) 0.692 29.643 ( 5.944 -6.453 -0.701) 8.801 30.434 ( -3.132 -2.416 5.059) 6.422 30.512 ( 14.259 0.844 0.977) 14.317 30.607 ( 2.853 -5.010 2.723) 6.376 30.805 ( 0.229 -0.355 0.380) 0.568 30.949 ( -2.562 -0.209 -0.283) 2.586 31.324 ( 3.831 -3.914 8.101) 9.778 32.237 ( 0.601 -1.470 2.741) 3.168 32.279 ( 1.506 -0.588 0.505) 1.693 32.528 ( 2.946 1.571 -1.889) 3.836 32.744 ( 3.949 -5.247 -7.129) 9.693 33.755 ( -2.921 1.166 9.020) 9.552 33.813 ( 2.815 -0.446 -7.247) 7.787 35.519 ( -3.178 -0.576 -5.591) 6.457 35.786 ( 1.598 -0.086 2.722) 3.157 35.875 ( -1.602 -3.309 -10.447) 11.075 36.390 ( -2.734 1.705 9.475) 10.008 36.483 ( 2.909 -0.908 0.328) 3.065 36.613 ( 4.226 -1.389 -6.282) 7.697 38.037 ( -15.314 14.241 6.981) 22.047 38.440 ( -5.240 1.892 -7.799) 9.584 ======================= Grid point 140 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 1.139 0.694 -3.511) 3.756 1.082 ( 1.833 -0.206 -0.530) 1.919 1.815 ( 6.718 1.115 3.214) 7.530 1.980 ( 3.995 -2.982 -5.970) 7.778 2.225 ( -1.900 -3.966 -3.592) 5.679 2.262 ( -11.232 5.868 -6.787) 14.376 2.796 ( -5.199 2.223 0.361) 5.666 2.841 ( -3.715 0.213 6.840) 7.787 3.183 ( -1.148 -1.220 9.766) 9.909 3.333 ( 11.703 -6.437 2.793) 13.645 3.398 ( 0.590 1.963 1.490) 2.534 3.474 ( -1.176 -8.881 -5.146) 10.331 3.557 ( 1.344 13.158 -8.112) 15.516 3.714 ( 0.085 -0.401 3.225) 3.251 3.791 ( 5.252 2.659 2.490) 6.392 3.843 ( -3.624 0.114 -0.868) 3.728 3.985 ( -4.390 3.439 1.766) 5.850 4.160 ( -1.894 1.398 -2.195) 3.218 4.457 ( 3.787 -3.298 -4.147) 6.512 4.589 ( -1.709 -4.267 3.426) 5.733 4.649 ( -0.588 0.172 0.619) 0.871 4.687 ( -0.413 0.408 4.543) 4.580 4.883 ( -3.224 -1.757 -2.820) 4.630 4.988 ( -4.462 -0.167 4.691) 6.476 5.014 ( -1.179 4.649 2.461) 5.390 5.176 ( 6.692 -3.804 -4.597) 8.966 5.265 ( 3.265 -5.295 1.974) 6.526 5.582 ( -2.109 4.713 1.294) 5.323 5.701 ( 2.385 1.429 -3.670) 4.605 5.878 ( 0.164 -1.011 0.898) 1.362 6.150 ( 1.565 3.872 2.564) 4.901 6.177 ( 0.202 0.219 -1.865) 1.889 6.206 ( -0.242 0.211 -0.394) 0.508 6.326 ( -1.148 -2.139 -3.939) 4.627 6.695 ( -2.820 -1.619 0.351) 3.271 6.920 ( 0.821 -4.039 1.873) 4.527 7.142 ( 1.097 2.032 2.716) 3.565 7.269 ( -0.993 2.103 -4.422) 4.996 7.531 ( -0.433 0.328 0.528) 0.757 7.838 ( 0.341 -0.049 0.325) 0.474 8.767 ( 0.037 0.247 -0.771) 0.810 8.917 ( 2.542 -0.098 0.066) 2.545 9.147 ( -0.078 1.170 -0.120) 1.179 9.281 ( -0.066 -1.961 -1.946) 2.764 9.620 ( 1.278 0.782 -1.155) 1.892 9.641 ( 0.083 0.178 -0.608) 0.639 9.801 ( -0.130 0.349 0.221) 0.433 9.986 ( -0.723 3.238 0.783) 3.409 10.005 ( -3.611 -6.216 1.837) 7.419 10.083 ( -2.664 0.668 0.305) 2.764 10.125 ( 3.592 1.700 -1.220) 4.157 10.572 ( 0.780 -0.803 -1.225) 1.660 11.485 ( -1.963 -0.238 1.610) 2.550 11.500 ( 1.065 0.592 0.133) 1.225 11.690 ( 1.116 0.061 -0.221) 1.139 11.831 ( 0.487 0.167 -0.092) 0.523 12.544 ( 0.208 -0.055 0.056) 0.222 13.056 ( 0.261 0.129 -0.038) 0.294 13.335 ( -0.131 0.667 0.194) 0.707 13.382 ( -0.292 -0.788 0.081) 0.845 13.544 ( 0.028 -0.252 -0.132) 0.286 13.766 ( -0.274 0.382 -0.623) 0.780 13.866 ( 1.479 1.826 -0.323) 2.372 13.961 ( -1.529 -1.449 -0.664) 2.209 14.095 ( -0.353 -0.918 1.143) 1.508 14.340 ( -0.189 0.289 0.439) 0.559 14.505 ( 0.218 -0.071 0.093) 0.247 15.223 ( -0.155 0.172 -0.752) 0.787 15.564 ( 0.748 0.811 -0.666) 1.289 15.658 ( -0.026 -0.589 -0.361) 0.691 15.756 ( 0.260 -1.091 0.925) 1.454 15.813 ( -0.884 0.862 1.004) 1.592 16.639 ( 1.972 -1.491 -0.268) 2.487 16.658 ( -1.489 1.504 -0.997) 2.340 16.791 ( -1.041 0.547 2.158) 2.457 16.875 ( 1.033 -1.238 -2.571) 3.034 19.188 ( 1.711 0.171 0.937) 1.959 19.362 ( -0.700 -0.392 -1.251) 1.486 20.134 ( -0.467 -1.145 1.393) 1.862 20.483 ( 0.970 0.745 -1.281) 1.771 21.328 ( -2.125 -0.494 7.513) 7.824 21.497 ( 1.903 0.668 -5.680) 6.027 23.271 ( 0.723 3.305 4.328) 5.493 23.510 ( -0.475 -3.106 -2.799) 4.208 26.679 ( -0.018 -0.058 -0.089) 0.108 26.819 ( -0.033 -0.005 -0.039) 0.051 28.990 ( 0.162 -0.025 0.336) 0.374 29.728 ( -0.171 0.164 -0.547) 0.596 30.378 ( -6.795 -6.323 2.388) 9.584 30.547 ( -3.118 9.861 10.609) 14.816 30.787 ( 9.005 2.953 -4.569) 10.521 30.823 ( 4.116 -3.197 -3.643) 6.359 30.929 ( 0.863 1.146 -0.306) 1.466 31.452 ( 1.202 -6.011 3.392) 7.006 32.271 ( 0.154 -0.331 2.349) 2.378 32.299 ( 0.018 -0.206 0.597) 0.632 32.548 ( 1.770 1.387 0.041) 2.249 32.775 ( 0.141 -3.649 -8.662) 9.400 33.727 ( -4.410 2.282 6.724) 8.358 33.856 ( 5.130 -2.324 -5.599) 7.941 35.457 ( -1.469 -0.352 -3.058) 3.411 35.812 ( -0.861 -1.378 -4.779) 5.048 35.822 ( 0.008 -0.372 -2.461) 2.489 36.381 ( -2.840 1.827 8.586) 9.226 36.520 ( -0.038 -0.087 1.566) 1.569 36.647 ( 3.499 -0.397 -6.864) 7.715 37.791 ( -7.667 7.742 11.654) 15.954 38.390 ( 3.240 -3.881 -7.725) 9.233 ======================= Grid point 141 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -2.110 0.220 -3.275) 3.903 1.066 ( 0.090 1.135 -2.224) 2.499 1.578 ( -19.495 14.122 -2.980) 24.256 1.933 ( -6.792 15.131 6.605) 17.852 2.103 ( 3.169 -8.469 -8.401) 12.342 2.237 ( -7.412 4.689 4.169) 9.711 2.779 ( -6.362 1.293 6.471) 9.166 2.843 ( 1.038 -7.002 8.626) 11.158 3.157 ( -8.719 -0.066 0.820) 8.758 3.309 ( 0.839 13.976 -2.006) 14.144 3.360 ( -6.947 3.119 -1.975) 7.867 3.403 ( -3.395 -4.766 -12.411) 13.721 3.598 ( 0.365 -3.829 0.956) 3.963 3.751 ( 3.573 3.179 1.629) 5.052 3.855 ( 1.743 -4.944 6.598) 8.427 3.893 ( -1.612 -17.881 0.365) 17.957 4.019 ( 8.127 3.299 3.115) 9.308 4.070 ( -0.174 3.810 -3.980) 5.513 4.454 ( -6.025 -0.764 6.297) 8.749 4.607 ( -0.125 -2.685 -5.396) 6.028 4.654 ( 4.487 1.050 0.399) 4.625 4.795 ( 7.603 0.174 4.486) 8.830 4.852 ( -1.350 -1.826 1.769) 2.878 4.947 ( 4.951 7.745 2.162) 9.443 5.104 ( 6.788 -3.252 -1.782) 7.735 5.272 ( 5.425 -0.112 -4.011) 6.748 5.366 ( 7.520 -0.024 -8.060) 11.023 5.523 ( -0.451 8.199 6.883) 10.715 5.687 ( -0.730 -2.498 -2.483) 3.597 5.827 ( -1.476 2.566 -1.706) 3.416 6.149 ( -0.380 2.920 -1.291) 3.215 6.237 ( 5.599 -1.291 0.119) 5.747 6.292 ( 6.486 -3.981 3.053) 8.200 6.332 ( 1.386 -4.372 -1.982) 4.996 6.682 ( -1.731 -3.623 1.122) 4.169 7.026 ( 7.245 -2.358 -2.487) 8.015 7.121 ( -3.205 1.374 0.653) 3.548 7.215 ( -1.477 1.330 2.582) 3.258 7.553 ( -0.436 -5.303 0.589) 5.354 7.825 ( -3.712 -2.430 -0.279) 4.445 8.764 ( -0.200 -1.067 -0.411) 1.161 9.002 ( 5.724 -0.648 -3.800) 6.901 9.103 ( -0.963 1.431 1.809) 2.500 9.269 ( -3.463 -3.059 -2.390) 5.202 9.550 ( -7.278 -3.213 -0.525) 7.973 9.678 ( -2.235 1.315 -0.122) 2.597 9.702 ( -5.307 0.833 -0.099) 5.373 9.942 ( -2.741 1.661 3.421) 4.687 10.023 ( 0.497 -2.749 -2.356) 3.655 10.098 ( 2.656 -0.390 3.783) 4.638 10.237 ( 11.447 3.594 -0.536) 12.010 10.535 ( -0.948 4.391 -2.108) 4.962 11.423 ( -6.387 -1.106 0.967) 6.554 11.446 ( -6.576 -0.287 0.843) 6.636 11.698 ( -1.261 -2.259 -1.177) 2.842 11.809 ( -3.114 0.437 -0.552) 3.192 12.717 ( 14.289 -7.009 -0.360) 15.919 13.072 ( 2.032 -0.154 -0.320) 2.063 13.329 ( 2.090 5.551 0.556) 5.958 13.417 ( 1.093 -5.606 0.284) 5.718 13.519 ( -1.808 1.547 -0.522) 2.436 13.758 ( -0.487 -0.042 0.361) 0.607 13.816 ( -10.886 -10.477 -0.002) 15.109 13.992 ( 6.458 6.669 -0.188) 9.285 14.069 ( 1.523 6.105 0.430) 6.306 14.356 ( 2.098 1.140 0.686) 2.484 14.523 ( 1.973 2.182 -0.399) 2.968 15.130 ( -5.609 7.487 -0.028) 9.355 15.504 ( -2.191 6.792 -0.284) 7.142 15.629 ( -2.453 0.544 -1.239) 2.802 15.782 ( -1.048 -3.641 -0.846) 3.882 15.803 ( -0.222 1.611 2.124) 2.675 16.581 ( -2.502 1.529 -1.378) 3.240 16.683 ( -0.026 -0.235 -0.028) 0.238 16.760 ( -3.265 1.420 1.857) 4.015 16.890 ( -0.350 -3.772 -2.918) 4.781 19.245 ( 3.488 -3.610 -2.030) 5.415 19.391 ( 3.479 -1.235 0.311) 3.704 20.140 ( -0.537 -0.649 0.276) 0.886 20.453 ( -0.773 3.618 -1.580) 4.023 21.361 ( -1.717 -2.859 7.544) 8.248 21.491 ( 1.916 -0.662 -6.025) 6.357 23.276 ( 1.111 3.873 4.064) 5.723 23.502 ( -1.215 -2.207 -3.612) 4.404 26.689 ( 0.602 -0.891 -0.073) 1.078 26.810 ( -0.558 0.720 0.043) 0.912 28.995 ( 0.296 -0.129 -0.153) 0.357 29.632 ( -6.100 6.397 0.246) 8.843 30.274 ( -21.592 -2.514 10.322) 24.064 30.515 ( 10.381 8.285 0.689) 13.299 30.794 ( 1.815 3.635 -1.269) 4.256 30.897 ( 5.409 1.090 -8.051) 9.760 30.952 ( 6.095 4.424 -2.657) 7.987 31.514 ( -3.993 -10.551 -7.492) 13.542 32.271 ( -0.644 1.346 0.661) 1.632 32.290 ( -1.594 -0.013 -0.215) 1.608 32.533 ( -3.133 -0.732 -1.823) 3.699 32.713 ( -1.833 2.727 -7.727) 8.397 33.666 ( -4.442 2.338 5.937) 7.775 33.924 ( 4.414 -2.579 -6.529) 8.293 35.447 ( 0.929 -0.009 0.840) 1.253 35.762 ( -1.651 0.028 -1.597) 2.298 35.826 ( 0.301 0.401 -1.007) 1.125 36.372 ( -3.201 1.182 8.899) 9.530 36.496 ( -2.388 2.479 0.671) 3.507 36.645 ( 1.997 -0.208 -8.002) 8.250 37.811 ( 1.661 -1.792 22.446) 22.578 38.510 ( 10.363 -7.689 -9.138) 15.812 ======================= Grid point 142 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -11.475 9.795 -4.184) 15.656 1.033 ( -5.398 6.942 -2.066) 9.034 1.207 ( -11.778 1.944 13.525) 18.040 1.651 ( -20.217 15.748 17.658) 31.121 1.931 ( -15.011 17.281 16.122) 27.998 2.222 ( 5.100 -12.833 -18.044) 22.722 2.645 ( -12.526 4.435 -4.102) 13.907 2.794 ( -9.297 4.922 0.172) 10.521 3.070 ( -7.301 7.839 5.339) 11.969 3.125 ( -0.191 12.824 -9.292) 15.837 3.192 ( -8.861 -7.101 6.821) 13.247 3.413 ( 2.913 -2.742 -2.193) 4.562 3.590 ( -0.306 -1.685 -2.140) 2.741 3.791 ( -5.494 -0.935 4.978) 7.472 3.930 ( -0.713 -1.119 0.260) 1.352 4.005 ( 0.163 -6.231 -9.228) 11.136 4.055 ( 1.853 -11.872 3.701) 12.573 4.199 ( 10.060 -3.412 -1.263) 10.698 4.494 ( -2.985 5.786 1.704) 6.730 4.583 ( 7.557 -5.396 5.519) 10.802 4.741 ( 3.205 -0.852 -0.866) 3.427 4.841 ( 1.679 3.888 4.202) 5.966 4.947 ( 3.787 -1.238 -0.826) 4.069 5.037 ( 9.776 3.209 -1.151) 10.353 5.201 ( 4.185 -1.265 -3.473) 5.583 5.315 ( 5.994 3.571 -1.107) 7.064 5.378 ( 6.420 2.307 -10.193) 12.265 5.510 ( 4.730 8.080 4.084) 10.214 5.729 ( -0.896 -7.457 0.166) 7.513 5.868 ( 2.631 -1.165 3.325) 4.397 6.093 ( 2.434 -1.320 -4.119) 4.963 6.328 ( 4.747 -0.591 -0.326) 4.795 6.395 ( 3.686 -3.982 2.771) 6.093 6.494 ( 9.973 -0.930 -1.280) 10.098 6.767 ( 4.253 -8.937 1.859) 10.071 6.984 ( -4.502 4.027 -2.310) 6.467 7.193 ( 4.422 -1.085 5.026) 6.782 7.262 ( 7.524 -1.391 3.134) 8.269 7.607 ( -1.592 -6.793 0.039) 6.977 7.761 ( -7.805 -3.582 -0.448) 8.599 8.790 ( 1.658 -3.005 -0.716) 3.506 8.973 ( -2.142 0.712 -2.029) 3.035 9.196 ( 4.426 -2.372 -2.616) 5.662 9.212 ( -4.422 -1.339 2.813) 5.409 9.435 ( -10.359 -0.479 0.226) 10.372 9.502 ( -11.111 0.420 0.707) 11.142 9.699 ( 1.597 1.677 -2.456) 3.376 9.932 ( 0.694 -2.032 3.522) 4.125 10.030 ( -1.198 -1.835 -3.358) 4.009 10.195 ( 5.381 0.709 3.582) 6.504 10.353 ( 5.466 3.182 1.395) 6.476 10.491 ( 6.311 5.919 -2.312) 8.956 11.330 ( -8.692 -2.164 0.945) 9.007 11.354 ( -5.715 -1.959 0.243) 6.046 11.675 ( -3.713 -2.823 -1.057) 4.782 11.715 ( -6.739 0.673 -1.821) 7.013 13.029 ( 12.982 -6.425 -0.840) 14.509 13.126 ( 4.816 -1.305 -0.432) 5.008 13.295 ( -0.297 3.535 -0.147) 3.550 13.437 ( -2.150 4.177 0.354) 4.711 13.547 ( 5.031 -5.998 -0.393) 7.838 13.719 ( -11.026 -10.576 -0.208) 15.280 13.800 ( 0.326 -2.569 1.792) 3.149 13.970 ( -1.244 1.582 -1.487) 2.502 14.095 ( 11.289 12.193 1.250) 16.664 14.338 ( -6.532 2.694 -0.126) 7.067 14.482 ( -0.878 5.048 0.817) 5.189 14.926 ( -2.368 18.428 -2.550) 18.754 15.399 ( -2.065 4.678 0.129) 5.115 15.550 ( -3.804 2.200 -4.280) 6.134 15.767 ( -4.364 -2.881 -0.977) 5.320 15.787 ( -1.628 1.553 1.310) 2.604 16.541 ( -1.001 -0.839 -1.402) 1.916 16.648 ( -2.282 1.877 -1.460) 3.296 16.687 ( -4.998 1.711 1.977) 5.641 16.877 ( -4.266 -3.389 -3.526) 6.490 19.347 ( 5.881 -5.289 -3.323) 8.579 19.484 ( 4.675 -2.002 1.431) 5.283 20.137 ( -0.198 -0.338 -0.734) 0.832 20.365 ( -2.948 5.566 -2.356) 6.724 21.422 ( -1.519 -5.073 7.051) 8.818 21.500 ( 2.693 -1.514 -6.460) 7.161 23.275 ( 0.449 4.455 4.657) 6.460 23.479 ( -0.791 -2.033 -5.104) 5.550 26.713 ( 1.008 -1.161 -0.043) 1.538 26.790 ( -0.815 0.981 0.080) 1.278 28.997 ( 0.763 1.294 -0.412) 1.558 29.449 ( -5.277 11.526 0.509) 12.687 29.945 ( -23.464 4.229 8.314) 25.250 30.621 ( 7.498 3.436 -2.588) 8.644 30.739 ( -2.158 7.711 -15.099) 17.091 30.840 ( -4.430 -0.796 -12.116) 12.925 30.991 ( 4.979 2.887 0.236) 5.760 31.377 ( -11.317 -3.919 -14.828) 19.060 32.232 ( -1.625 2.571 -1.514) 3.397 32.240 ( -3.360 0.359 -0.457) 3.410 32.460 ( -4.316 -0.744 0.501) 4.408 32.600 ( -2.223 5.819 -1.448) 6.396 33.636 ( -2.642 0.647 8.442) 8.870 33.961 ( 3.217 -1.836 -8.414) 9.194 35.494 ( 2.540 0.090 3.906) 4.660 35.768 ( 2.090 1.003 5.926) 6.363 35.809 ( -0.269 0.600 -2.811) 2.887 36.362 ( -4.379 0.334 8.605) 9.661 36.412 ( -3.198 4.000 -0.048) 5.122 36.627 ( 1.751 -0.543 -8.418) 8.616 38.179 ( 14.636 -13.304 29.575) 35.580 38.740 ( 14.058 -8.959 -8.613) 18.763 ======================= Grid point 143 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -2.473 15.240 4.440) 16.065 0.811 ( -10.641 9.240 8.330) 16.371 1.146 ( -23.254 7.177 22.259) 32.981 1.287 ( -3.801 -0.864 15.456) 15.940 1.835 ( 0.231 13.687 32.406) 35.179 2.170 ( -19.011 4.258 -21.133) 28.743 2.263 ( -5.667 -6.382 -16.596) 18.662 2.706 ( -3.134 2.050 4.774) 6.068 2.800 ( -6.285 12.900 0.725) 14.368 2.997 ( 0.846 3.851 -7.593) 8.556 3.226 ( -5.763 -1.476 15.484) 16.588 3.449 ( 2.759 -1.446 -6.686) 7.376 3.615 ( -1.775 -1.966 -2.492) 3.637 3.738 ( 2.426 0.232 1.077) 2.664 3.931 ( -2.120 -4.593 -4.760) 6.946 3.991 ( -1.083 -6.246 -12.596) 14.102 4.161 ( -4.340 -5.204 7.862) 10.379 4.327 ( -2.757 9.429 -2.994) 10.270 4.434 ( 12.172 -3.180 0.988) 12.620 4.709 ( -0.515 3.641 -0.299) 3.689 4.808 ( 5.609 -1.914 0.631) 5.960 4.860 ( -6.165 -3.638 -0.457) 7.173 4.990 ( -2.100 -0.177 4.523) 4.989 5.043 ( 1.181 2.835 2.709) 4.095 5.261 ( 7.291 -3.131 -6.029) 9.966 5.381 ( 6.466 6.534 -1.392) 9.297 5.487 ( 9.061 -4.594 -3.858) 10.867 5.591 ( 8.148 4.495 5.166) 10.644 5.741 ( -4.436 -1.811 -1.354) 4.979 5.777 ( -4.139 2.887 -3.702) 6.258 6.308 ( 10.651 -1.522 3.517) 11.319 6.409 ( 2.333 -1.634 -0.024) 2.848 6.552 ( 6.757 -6.666 -2.264) 9.758 6.608 ( 5.037 -1.131 -2.957) 5.949 6.922 ( 1.801 -2.775 1.604) 3.677 6.995 ( 9.538 -9.529 -0.494) 13.492 7.334 ( 9.377 -0.070 10.665) 14.201 7.448 ( 8.828 1.403 1.991) 9.158 7.639 ( -3.194 -6.372 2.191) 7.456 7.673 ( -3.756 -3.012 0.315) 4.825 8.865 ( 3.613 -3.129 -0.818) 4.850 8.943 ( -0.735 -0.304 -1.087) 1.347 9.100 ( -9.292 -2.649 1.737) 9.817 9.225 ( -12.524 1.064 0.147) 12.570 9.271 ( 1.438 1.705 1.997) 2.994 9.389 ( -1.444 1.696 -1.320) 2.590 9.742 ( 6.059 -0.900 -2.136) 6.487 9.963 ( -6.354 -4.420 -2.696) 8.196 10.054 ( 6.876 -1.371 1.492) 7.168 10.239 ( -1.461 0.554 1.014) 1.863 10.413 ( 5.398 2.029 4.066) 7.056 10.568 ( 8.292 3.535 -2.573) 9.374 11.222 ( -7.972 -2.249 0.939) 8.336 11.271 ( -6.119 1.062 -0.450) 6.227 11.584 ( -5.753 -0.077 -1.833) 6.039 11.635 ( -3.897 -2.398 -1.275) 4.750 13.168 ( 5.091 -0.161 -0.324) 5.104 13.237 ( 2.379 1.831 -0.964) 3.153 13.286 ( 2.362 -3.911 -0.935) 4.663 13.362 ( -2.288 2.676 -0.092) 3.522 13.613 ( -9.133 -6.783 -0.240) 11.379 13.702 ( 3.594 -2.173 0.898) 4.295 13.845 ( -1.138 -2.319 -0.537) 2.638 14.001 ( 4.527 -4.169 0.345) 6.164 14.040 ( -19.612 3.699 -4.056) 20.365 14.163 ( 10.235 11.123 0.905) 15.143 14.418 ( -3.975 5.153 0.872) 6.566 14.610 ( -5.547 26.070 -5.321) 27.180 15.373 ( 1.607 0.578 -0.397) 1.754 15.424 ( -4.460 1.902 -3.734) 6.120 15.702 ( -5.184 -1.350 -0.220) 5.361 15.721 ( -5.051 1.084 0.006) 5.166 16.526 ( -1.020 -0.820 -2.474) 2.799 16.582 ( -2.985 1.724 -0.003) 3.447 16.620 ( -0.515 1.346 1.757) 2.273 16.783 ( -6.760 -0.559 -1.623) 6.975 19.493 ( 7.667 -4.180 -1.837) 8.924 19.572 ( 1.966 -2.066 1.346) 3.154 20.137 ( 0.265 -0.738 -1.001) 1.271 20.227 ( -4.772 5.579 -1.830) 7.566 21.481 ( -2.358 -4.789 3.667) 6.476 21.525 ( 3.021 -1.188 -5.611) 6.483 23.266 ( -0.763 2.489 6.496) 6.998 23.460 ( 0.506 -1.465 -6.269) 6.458 26.739 ( 0.991 -0.633 0.013) 1.176 26.769 ( -0.720 0.617 0.013) 0.949 28.985 ( 1.597 4.976 0.227) 5.231 29.224 ( -6.188 15.765 -1.171) 16.976 29.618 ( -16.323 0.934 3.657) 16.754 30.012 ( -37.395 9.207 -28.152) 47.705 30.713 ( 2.947 0.789 1.832) 3.558 30.796 ( 0.085 0.334 -1.122) 1.174 31.058 ( 4.664 1.405 2.534) 5.491 31.256 ( 0.593 1.307 -4.679) 4.895 32.178 ( -1.702 1.080 -0.051) 2.017 32.187 ( -2.225 0.575 -0.307) 2.318 32.445 ( -0.251 -0.550 2.830) 2.894 32.519 ( -1.710 2.922 -0.144) 3.388 33.664 ( -1.452 -0.254 10.388) 10.493 33.962 ( 2.288 -0.942 -9.682) 9.993 35.553 ( 1.513 0.131 4.854) 5.086 35.768 ( -0.981 0.345 -4.197) 4.324 35.892 ( 8.368 0.818 6.701) 10.752 36.275 ( -6.100 1.839 -1.615) 6.573 36.383 ( -2.513 0.713 9.192) 9.556 36.610 ( 2.198 -0.336 -8.582) 8.865 38.805 ( 19.328 -16.671 16.634) 30.466 38.999 ( 12.461 -6.817 -5.387) 15.191 ======================= Grid point 145 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 15.071 0.000 -8.586) 17.345 1.036 ( 8.750 0.000 -2.711) 9.161 1.616 ( 5.556 0.000 -20.622) 21.357 1.886 ( 29.237 0.000 -17.105) 33.873 2.007 ( 8.206 0.000 11.897) 14.453 2.126 ( 9.224 0.000 18.982) 21.105 2.247 ( -5.084 -0.000 -18.674) 19.354 2.659 ( 18.392 0.000 14.429) 23.376 3.041 ( 8.053 0.000 -14.065) 16.207 3.105 ( 9.463 0.000 5.154) 10.775 3.258 ( -0.911 -0.000 3.952) 4.055 3.459 ( -0.215 -0.000 -8.894) 8.897 3.655 ( 2.807 0.000 7.652) 8.150 3.804 ( 3.305 0.000 -2.881) 4.384 3.805 ( 2.597 0.000 9.607) 9.951 4.002 ( -1.219 -0.000 -7.674) 7.770 4.152 ( -3.415 -0.000 10.343) 10.892 4.176 ( -6.424 -0.000 -0.251) 6.429 4.434 ( -1.437 -0.000 2.961) 3.292 4.623 ( -10.990 -0.000 7.473) 13.290 4.743 ( 1.081 0.000 -6.188) 6.282 4.840 ( -5.891 -0.000 6.998) 9.147 4.946 ( -6.452 -0.000 11.540) 13.221 5.027 ( -3.754 -0.000 -9.202) 9.939 5.034 ( -11.451 -0.000 -0.459) 11.460 5.173 ( -8.497 -0.000 1.198) 8.581 5.293 ( 0.441 0.000 1.214) 1.292 5.522 ( -7.902 -0.000 -2.096) 8.175 5.848 ( 8.646 0.000 0.720) 8.676 5.991 ( 4.910 0.000 -8.930) 10.191 6.216 ( -16.137 -0.000 -8.589) 18.280 6.397 ( -3.564 -0.000 -3.133) 4.745 6.406 ( -5.058 -0.000 2.100) 5.476 6.433 ( -7.766 -0.000 3.212) 8.404 6.802 ( -9.705 -0.000 4.544) 10.716 7.004 ( 3.247 0.000 -7.113) 7.818 7.253 ( -16.329 -0.000 4.845) 17.032 7.372 ( -1.008 -0.000 -4.807) 4.911 7.693 ( 0.566 0.000 -0.213) 0.605 7.781 ( 4.690 0.000 1.234) 4.850 8.842 ( -1.141 -0.000 -2.329) 2.593 8.920 ( -0.932 -0.000 1.672) 1.914 9.225 ( 0.457 0.000 1.909) 1.963 9.268 ( -2.512 -0.000 -4.754) 5.377 9.462 ( 12.018 0.000 -0.611) 12.034 9.468 ( 15.247 0.000 0.772) 15.267 9.668 ( -0.739 -0.000 -0.706) 1.022 9.927 ( -4.487 -0.000 2.253) 5.021 10.074 ( 2.920 0.000 -1.181) 3.150 10.211 ( -2.819 -0.000 0.822) 2.937 10.351 ( -9.837 -0.000 2.138) 10.067 10.388 ( -4.893 -0.000 -3.613) 6.082 11.366 ( 7.245 0.000 0.591) 7.269 11.371 ( 5.764 0.000 -0.044) 5.764 11.669 ( 6.810 0.000 1.045) 6.890 11.697 ( 3.857 0.000 0.846) 3.949 13.085 ( -6.057 -0.000 -0.378) 6.069 13.138 ( -8.522 -0.000 0.574) 8.541 13.287 ( -0.656 -0.000 0.174) 0.678 13.320 ( -0.617 -0.000 0.527) 0.812 13.644 ( -5.647 -0.000 -0.336) 5.657 13.778 ( -2.843 -0.000 0.897) 2.981 13.909 ( -6.057 -0.000 -1.528) 6.247 13.929 ( -4.474 -0.000 -0.309) 4.485 14.078 ( 23.515 0.000 -1.622) 23.570 14.296 ( 17.021 0.000 4.406) 17.582 14.451 ( 1.261 0.000 -1.124) 1.689 14.517 ( 2.893 0.000 0.892) 3.027 15.378 ( 3.915 0.000 -0.874) 4.011 15.438 ( 4.985 0.000 3.958) 6.365 15.768 ( 2.616 0.000 1.673) 3.105 15.812 ( 4.803 0.000 -2.112) 5.247 16.548 ( 4.685 0.000 2.455) 5.290 16.581 ( -0.217 -0.000 -1.765) 1.779 16.737 ( 6.476 0.000 -4.422) 7.841 16.826 ( 2.838 0.000 3.708) 4.669 19.359 ( -7.800 -0.000 1.615) 7.965 19.530 ( -5.871 -0.000 -1.133) 5.980 20.078 ( 0.247 0.000 3.301) 3.310 20.315 ( 5.816 0.000 -1.412) 5.985 21.369 ( -4.571 -0.000 7.981) 9.197 21.576 ( 1.078 0.000 -3.241) 3.415 23.348 ( -0.975 -0.000 8.296) 8.353 23.361 ( -0.020 -0.000 -7.694) 7.694 26.733 ( -0.560 -0.000 -0.281) 0.627 26.771 ( 0.377 0.000 0.311) 0.489 29.066 ( 4.459 0.000 -3.167) 5.469 29.229 ( 10.251 0.000 3.724) 10.907 30.063 ( 19.219 0.000 20.721) 28.262 30.067 ( 26.239 0.000 -11.001) 28.452 30.681 ( -4.255 -0.000 -2.566) 4.969 30.778 ( 1.088 0.000 2.089) 2.355 31.013 ( -4.289 -0.000 -2.913) 5.184 31.154 ( 0.320 0.000 8.066) 8.073 32.189 ( 0.152 0.000 0.031) 0.155 32.223 ( 3.217 0.000 0.708) 3.294 32.516 ( 2.936 0.000 -2.581) 3.909 32.611 ( 6.176 0.000 -5.771) 8.452 33.765 ( -3.377 -0.000 11.278) 11.773 33.837 ( 0.994 0.000 -10.070) 10.119 35.596 ( -2.900 -0.000 -5.923) 6.595 35.731 ( 2.303 0.000 4.065) 4.672 35.902 ( -3.193 -0.000 -8.092) 8.699 36.341 ( 4.688 0.000 3.576) 5.896 36.451 ( -0.222 -0.000 6.928) 6.932 36.563 ( 2.798 0.000 -9.114) 9.533 38.606 ( -23.210 -0.000 14.463) 27.347 38.787 ( -17.335 -0.000 -14.277) 22.457 ======================= Grid point 146 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 15.264 -2.888 -2.354) 15.712 1.078 ( 0.165 2.260 -2.097) 3.088 1.645 ( 13.633 3.230 -14.024) 19.823 1.956 ( -2.477 -3.905 -16.303) 16.947 2.104 ( 5.012 6.884 5.167) 9.960 2.323 ( 19.274 -0.603 -6.283) 20.281 2.477 ( 4.621 -18.721 11.323) 22.361 2.973 ( 8.188 6.788 12.795) 16.638 3.111 ( 7.233 -1.978 -3.314) 8.198 3.195 ( -3.515 1.570 -4.029) 5.573 3.313 ( 10.612 -2.268 0.684) 10.873 3.367 ( -2.181 2.174 -4.394) 5.365 3.726 ( -5.947 1.238 -1.532) 6.265 3.771 ( 0.121 3.853 3.576) 5.259 3.914 ( 2.287 -3.631 5.042) 6.621 3.964 ( -0.186 -4.027 -6.234) 7.424 4.106 ( 1.888 0.752 -9.065) 9.290 4.140 ( -2.950 2.954 9.043) 9.961 4.402 ( -5.867 1.367 11.028) 12.566 4.483 ( -14.856 -3.344 7.276) 16.877 4.622 ( -7.387 6.698 -1.578) 10.096 4.776 ( -0.158 -4.330 -1.960) 4.755 4.874 ( -2.539 1.888 1.545) 3.521 4.950 ( 3.127 -5.177 -7.936) 9.978 5.015 ( -5.403 -0.771 8.747) 10.310 5.084 ( -5.807 -2.691 5.048) 8.151 5.300 ( -1.192 6.975 0.582) 7.100 5.482 ( 1.104 -10.258 -3.920) 11.036 5.849 ( -6.984 2.780 -4.597) 8.811 5.940 ( 0.065 6.566 -7.652) 10.083 6.061 ( 3.833 -1.314 3.093) 5.098 6.292 ( -3.127 3.349 -2.159) 5.065 6.349 ( -4.934 -0.316 0.101) 4.945 6.373 ( -2.696 -2.202 -2.196) 4.115 6.731 ( -2.653 2.809 4.310) 5.789 6.899 ( -11.305 -1.784 2.477) 11.710 7.176 ( 3.739 2.544 1.256) 4.694 7.340 ( 1.392 0.327 -6.671) 6.823 7.668 ( -1.767 3.885 -0.174) 4.271 7.824 ( -0.759 -0.396 1.882) 2.068 8.815 ( 0.811 1.837 -2.340) 3.083 8.933 ( -0.277 0.040 3.482) 3.493 9.156 ( -2.445 2.442 -3.167) 4.688 9.246 ( -1.848 -3.536 -0.440) 4.013 9.625 ( 7.891 3.055 -0.815) 8.501 9.671 ( 4.988 1.331 0.595) 5.196 9.694 ( 7.084 -1.234 -1.765) 7.404 9.881 ( -2.832 -3.073 2.252) 4.747 10.085 ( -3.600 0.615 0.600) 3.701 10.138 ( -5.992 -1.376 -2.255) 6.548 10.226 ( -1.007 4.451 -1.009) 4.674 10.384 ( 1.629 -6.437 1.003) 6.716 11.450 ( 4.493 0.542 0.150) 4.528 11.456 ( 3.861 0.162 0.687) 3.925 11.732 ( 2.217 2.936 0.865) 3.780 11.781 ( 4.067 -1.343 0.496) 4.312 12.875 ( -13.949 8.696 0.051) 16.438 13.021 ( -6.994 -4.768 -0.088) 8.465 13.263 ( -1.493 -0.849 -0.396) 1.763 13.367 ( -1.418 -7.522 0.569) 7.675 13.547 ( -1.444 6.428 1.021) 6.667 13.723 ( -5.105 -6.144 -1.173) 8.074 13.865 ( -1.563 0.585 -0.711) 1.814 13.925 ( 1.093 -4.599 0.269) 4.735 14.270 ( 18.585 21.707 0.450) 28.579 14.380 ( -0.255 1.448 -0.696) 1.627 14.492 ( 1.225 0.837 0.045) 1.484 14.816 ( 11.737 -21.955 0.829) 24.909 15.458 ( 6.428 -0.230 -1.986) 6.732 15.556 ( 4.952 -1.324 3.538) 6.228 15.791 ( -0.401 1.169 1.928) 2.290 15.843 ( 1.643 0.188 -2.680) 3.150 16.570 ( 1.696 1.082 -0.815) 2.170 16.650 ( 3.009 -1.958 1.588) 3.926 16.796 ( 3.735 0.084 -3.587) 5.180 16.866 ( -0.757 0.354 3.850) 3.940 19.263 ( -3.921 2.607 2.948) 5.555 19.418 ( -6.521 -0.532 -2.022) 6.848 20.113 ( 1.564 0.627 3.263) 3.672 20.403 ( 4.788 -1.894 -1.670) 5.413 21.347 ( -4.042 0.665 8.091) 9.069 21.554 ( 0.336 1.368 -4.632) 4.842 23.307 ( -0.366 0.722 -3.719) 3.806 23.404 ( -0.393 -2.994 4.607) 5.508 26.716 ( -0.352 1.420 -0.214) 1.479 26.786 ( 0.333 -1.313 0.264) 1.380 29.084 ( 5.332 7.315 -1.037) 9.111 29.487 ( 11.664 -8.525 1.260) 14.502 30.295 ( -2.259 -2.523 4.046) 5.276 30.384 ( 7.404 -8.919 1.878) 11.743 30.647 ( 7.333 2.383 -3.595) 8.507 30.816 ( 1.171 0.646 2.071) 2.466 30.960 ( 0.249 0.634 -2.558) 2.647 31.328 ( 9.833 1.774 18.617) 21.129 32.196 ( -0.340 -1.611 1.268) 2.078 32.279 ( 2.846 0.176 1.259) 3.117 32.551 ( 3.620 0.683 -1.795) 4.098 32.664 ( 4.018 -2.271 -7.490) 8.798 33.771 ( -3.590 0.518 9.698) 10.354 33.803 ( 1.874 -0.424 -8.233) 8.454 35.511 ( -3.142 -0.204 -5.068) 5.967 35.785 ( 1.762 0.013 2.297) 2.895 35.827 ( -1.146 -1.367 -7.795) 7.997 36.411 ( -1.032 0.226 9.057) 9.118 36.495 ( 3.856 1.787 -0.431) 4.272 36.571 ( 3.701 -2.298 -7.190) 8.407 38.293 ( -18.550 9.979 6.355) 22.002 38.440 ( -13.526 -2.512 -9.997) 17.006 ======================= Grid point 147 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.317 4.461 -2.764) 5.257 1.086 ( 5.143 -0.259 -0.572) 5.181 1.833 ( 15.996 0.680 2.205) 16.162 1.936 ( 3.371 -1.245 -3.021) 4.695 2.143 ( 3.919 -0.997 -6.340) 7.520 2.408 ( 0.597 7.826 -6.313) 10.072 2.753 ( 0.578 -14.009 5.939) 15.227 2.939 ( -8.049 8.626 -0.447) 11.806 3.118 ( 4.282 -2.354 5.507) 7.362 3.216 ( -0.470 3.833 6.543) 7.598 3.337 ( -2.355 -4.378 -0.670) 5.016 3.404 ( -2.781 -1.460 -5.374) 6.225 3.616 ( -1.321 -3.772 -1.444) 4.249 3.721 ( -8.813 0.225 -1.180) 8.894 3.883 ( 0.646 8.125 -4.082) 9.115 4.001 ( 4.664 2.597 -2.042) 5.715 4.096 ( -2.715 4.140 4.823) 6.912 4.163 ( 1.761 -13.823 -3.543) 14.378 4.258 ( -2.873 4.614 -1.415) 5.617 4.461 ( -2.814 -5.491 5.613) 8.341 4.620 ( 4.802 -0.526 1.895) 5.189 4.750 ( -5.073 2.514 1.270) 5.803 4.869 ( -1.528 -1.356 0.720) 2.166 4.899 ( -8.774 -3.665 4.245) 10.413 5.081 ( 7.196 -4.056 -1.633) 8.420 5.145 ( 1.835 -2.704 3.536) 4.815 5.212 ( 3.756 5.972 4.084) 8.152 5.599 ( 4.104 -3.726 -2.052) 5.911 5.800 ( 2.338 -2.178 2.196) 3.877 5.832 ( 2.194 7.590 -8.117) 11.328 6.154 ( 3.153 -1.136 1.059) 3.515 6.217 ( -2.070 2.715 -2.822) 4.430 6.250 ( -4.302 0.508 -1.863) 4.715 6.321 ( -3.120 0.788 -2.205) 3.901 6.674 ( -4.219 1.277 4.168) 6.066 6.860 ( -0.941 -2.796 6.448) 7.091 7.214 ( 3.924 4.474 -0.374) 5.963 7.310 ( 0.587 1.487 -6.352) 6.551 7.574 ( -4.231 3.557 0.090) 5.528 7.802 ( -4.940 -3.318 0.665) 5.988 8.796 ( 0.677 2.220 -1.733) 2.896 8.932 ( 0.745 1.583 1.312) 2.187 9.129 ( -0.255 -2.965 -3.390) 4.511 9.248 ( -1.858 -1.389 1.141) 2.585 9.594 ( -4.936 0.942 -0.917) 5.108 9.721 ( 5.979 3.972 -1.388) 7.311 9.772 ( -3.436 -2.842 -0.398) 4.477 9.884 ( -6.540 -5.491 2.901) 9.018 10.029 ( 0.669 0.687 1.365) 1.668 10.077 ( -0.782 -0.692 -0.616) 1.213 10.219 ( 7.914 6.764 -1.224) 10.483 10.511 ( 3.892 -4.929 0.367) 6.290 11.479 ( -2.047 -0.213 1.183) 2.374 11.505 ( 1.202 -0.093 -0.167) 1.217 11.711 ( -1.684 1.652 -0.322) 2.381 11.829 ( 0.726 -0.440 -0.306) 0.902 12.608 ( -6.473 6.117 -0.033) 8.906 12.985 ( -4.867 -6.908 -0.193) 8.453 13.256 ( -1.382 -3.632 -0.473) 3.914 13.409 ( -3.826 -8.051 0.475) 8.927 13.489 ( 1.336 6.513 0.695) 6.685 13.723 ( -2.106 -5.021 -0.647) 5.484 13.828 ( -0.300 2.601 -1.089) 2.836 14.008 ( 2.228 -3.748 0.785) 4.430 14.304 ( 9.417 14.795 0.595) 17.548 14.388 ( 5.853 6.508 0.001) 8.752 14.505 ( 3.691 1.839 0.256) 4.132 15.131 ( 5.570 -10.539 -0.045) 11.921 15.541 ( 4.649 -0.461 -2.142) 5.139 15.648 ( 2.979 -1.154 1.394) 3.486 15.759 ( -2.654 1.641 1.182) 3.337 15.845 ( 0.854 0.934 -0.657) 1.426 16.602 ( 2.554 -1.311 -0.315) 2.888 16.684 ( -0.584 0.428 -0.322) 0.792 16.804 ( -0.919 0.878 1.000) 1.617 16.857 ( -1.392 -0.765 -0.363) 1.629 19.212 ( -1.423 2.220 1.257) 2.921 19.336 ( -3.413 -2.160 -1.094) 4.185 20.147 ( 1.812 1.908 2.969) 3.968 20.474 ( 3.401 -1.298 -2.289) 4.301 21.327 ( -3.895 0.205 7.599) 8.542 21.513 ( 0.265 0.821 -5.812) 5.875 23.288 ( -0.067 -1.354 -2.985) 3.279 23.446 ( -1.284 -2.501 3.918) 4.822 26.696 ( 0.032 1.547 -0.073) 1.549 26.805 ( 0.058 -1.275 0.105) 1.280 29.083 ( 5.019 8.540 0.062) 9.906 29.731 ( 9.842 -2.108 -0.153) 10.066 30.187 ( -14.898 -6.791 3.542) 16.751 30.537 ( -2.487 -13.242 2.410) 13.687 30.773 ( 10.302 2.054 -5.471) 11.844 30.826 ( 0.451 0.851 0.820) 1.265 30.989 ( 9.831 4.051 -4.916) 11.714 31.505 ( 3.534 7.539 13.986) 16.277 32.229 ( -0.212 -3.030 2.564) 3.975 32.311 ( 0.749 0.933 0.734) 1.404 32.580 ( 1.445 1.999 -1.341) 2.808 32.705 ( 2.917 -3.397 -4.180) 6.125 33.755 ( -4.905 0.670 8.010) 9.416 33.812 ( 3.959 -1.768 -6.943) 8.186 35.452 ( -1.283 -0.176 -2.419) 2.744 35.783 ( -0.832 -1.057 -4.375) 4.577 35.819 ( 1.068 -0.192 0.292) 1.123 36.420 ( -3.252 1.617 9.287) 9.972 36.526 ( 3.262 1.091 -2.816) 4.446 36.624 ( 3.875 -1.911 -5.415) 6.928 37.968 ( -10.308 9.287 0.676) 13.891 38.295 ( -5.633 -5.558 -2.756) 8.379 ======================= Grid point 148 (69/93) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 2.311 2.253 -2.146) 3.875 1.103 ( -0.247 2.455 -1.805) 3.057 1.892 ( -7.176 9.915 -14.336) 18.850 1.943 ( 2.189 2.923 0.744) 3.727 2.271 ( -1.989 13.785 6.790) 15.495 2.322 ( 14.641 -1.863 7.139) 16.395 2.715 ( -7.904 1.340 3.996) 8.957 2.837 ( -2.809 1.632 6.785) 7.523 3.112 ( -10.229 -8.098 -10.736) 16.897 3.208 ( -6.113 -0.046 4.812) 7.780 3.357 ( -2.082 -5.841 -7.502) 9.732 3.456 ( 8.902 -8.003 7.386) 14.066 3.517 ( -9.685 -9.124 -3.512) 13.762 3.727 ( 4.505 3.729 -2.867) 6.513 3.731 ( -1.304 7.172 0.278) 7.295 3.988 ( -5.104 7.657 6.393) 11.206 4.071 ( 3.106 3.368 -1.337) 4.772 4.165 ( 2.039 5.541 -7.996) 9.940 4.342 ( -3.082 -13.594 4.396) 14.616 4.505 ( 0.898 -5.873 -2.592) 6.482 4.597 ( -7.330 -3.099 0.972) 8.018 4.793 ( -2.865 -0.511 4.095) 5.024 4.811 ( 8.411 -0.145 5.121) 9.849 4.972 ( 3.746 -8.014 -0.186) 8.848 5.108 ( 2.802 6.301 4.443) 8.204 5.283 ( 11.795 0.315 -4.166) 12.513 5.359 ( 7.108 -0.389 3.341) 7.864 5.643 ( 2.494 3.194 -0.219) 4.058 5.747 ( 2.115 7.461 -7.198) 10.580 5.877 ( -0.357 -0.044 0.552) 0.659 6.150 ( 0.107 -4.696 -4.572) 6.555 6.205 ( 2.355 -0.407 -1.878) 3.039 6.233 ( 2.289 0.599 -0.320) 2.388 6.275 ( -0.132 -0.932 2.731) 2.888 6.638 ( -4.320 -1.678 5.274) 7.021 6.964 ( 7.099 -2.098 2.655) 7.865 7.192 ( -0.219 4.807 -2.980) 5.660 7.262 ( 0.287 2.920 -1.146) 3.150 7.488 ( -4.344 -0.792 0.318) 4.427 7.747 ( -7.325 -5.041 -0.622) 8.914 8.768 ( -0.603 1.490 -0.839) 1.813 8.985 ( 6.319 -0.990 -3.051) 7.087 9.100 ( -4.673 -2.635 -3.012) 6.152 9.223 ( -2.864 -0.072 2.062) 3.530 9.505 ( -5.365 -1.070 -0.193) 5.475 9.648 ( -13.593 -2.672 2.133) 14.016 9.741 ( 1.958 1.188 -2.388) 3.309 9.868 ( -6.384 -6.453 1.901) 9.274 10.073 ( 3.068 5.185 1.037) 6.113 10.098 ( 6.192 0.789 2.134) 6.597 10.330 ( 12.385 4.653 -0.470) 13.239 10.574 ( 0.747 -0.644 -0.944) 1.366 11.404 ( -7.852 -0.428 1.267) 7.965 11.446 ( -8.016 0.247 -0.292) 8.026 11.662 ( -3.073 -1.286 -1.433) 3.626 11.812 ( -2.973 -0.059 -0.948) 3.121 12.619 ( 9.898 -2.341 -0.324) 10.177 13.002 ( -1.516 -6.896 -0.206) 7.063 13.298 ( 0.767 -5.654 0.166) 5.708 13.415 ( -4.144 -6.060 -0.098) 7.342 13.453 ( 1.496 6.295 0.552) 6.494 13.727 ( -1.992 -1.729 0.091) 2.640 13.795 ( 1.283 3.805 -0.482) 4.044 14.046 ( -0.900 -0.453 0.002) 1.008 14.316 ( 7.964 11.499 1.121) 14.032 14.413 ( 4.545 4.159 0.544) 6.185 14.587 ( 10.237 6.456 -0.279) 12.106 15.199 ( -2.460 0.145 -0.033) 2.465 15.585 ( 1.663 -0.142 -1.681) 2.369 15.666 ( -1.385 3.314 0.612) 3.644 15.721 ( -1.313 -1.730 -0.065) 2.173 15.848 ( 1.476 2.537 1.196) 3.170 16.625 ( -3.023 2.531 -1.181) 4.116 16.662 ( 1.873 -1.952 -0.055) 2.706 16.778 ( -2.853 0.470 2.513) 3.831 16.834 ( -2.135 -1.696 -1.959) 3.358 19.193 ( 0.532 -1.314 -2.366) 2.758 19.343 ( 0.571 -3.167 0.937) 3.352 20.167 ( 1.622 2.930 2.391) 4.115 20.503 ( 1.928 1.196 -2.952) 3.723 21.317 ( -3.698 -1.457 7.126) 8.159 21.479 ( 0.489 -0.470 -6.321) 6.358 23.291 ( 0.389 -2.128 -2.624) 3.401 23.457 ( -2.977 -2.039 2.941) 4.655 26.689 ( 0.664 0.896 0.030) 1.116 26.812 ( -0.448 -0.572 0.048) 0.728 29.079 ( 5.010 8.023 0.143) 9.459 29.775 ( -0.196 8.124 -0.294) 8.132 30.089 ( -14.058 -12.768 6.059) 19.934 30.627 ( 1.475 -4.686 0.554) 4.944 30.820 ( 0.898 0.605 -0.852) 1.378 30.843 ( 2.166 -2.483 -4.962) 5.956 31.101 ( 15.317 8.536 -8.853) 19.643 31.489 ( -1.756 7.308 4.263) 8.641 32.268 ( -0.129 -1.980 1.609) 2.555 32.296 ( -1.337 0.917 0.024) 1.621 32.524 ( -3.937 0.202 -4.448) 5.943 32.757 ( 2.194 1.326 0.153) 2.568 33.701 ( -5.568 1.056 5.481) 7.884 33.865 ( 4.056 -3.010 -6.142) 7.952 35.448 ( 1.084 0.052 1.355) 1.736 35.765 ( -0.570 0.275 1.767) 1.877 35.831 ( 0.589 0.015 -1.349) 1.472 36.400 ( -3.889 1.481 8.360) 9.339 36.539 ( 1.765 1.558 -2.114) 3.165 36.642 ( 1.689 -0.051 -6.878) 7.083 37.822 ( -3.637 3.080 10.027) 11.102 38.328 ( 2.917 -9.828 -5.697) 11.728 ======================= Grid point 149 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -2.192 7.441 -0.316) 7.763 1.078 ( 0.979 0.121 -0.340) 1.044 1.493 ( -10.804 20.972 -1.045) 23.614 1.965 ( -13.752 4.873 1.560) 14.673 2.039 ( -0.044 6.180 -2.188) 6.556 2.342 ( 2.235 20.969 10.613) 23.607 2.749 ( -5.030 5.268 1.657) 7.470 2.889 ( -7.823 3.944 -9.070) 12.611 2.922 ( -0.939 -14.449 10.115) 17.663 3.112 ( -5.130 0.395 1.509) 5.362 3.372 ( 1.673 -3.292 -2.856) 4.668 3.451 ( -2.926 -2.113 -1.063) 3.762 3.605 ( 1.784 8.841 -6.513) 11.125 3.717 ( -4.966 -3.919 6.095) 8.785 3.780 ( 3.312 -9.042 2.441) 9.934 3.871 ( -4.019 6.078 1.447) 7.429 4.047 ( -3.333 -1.289 2.508) 4.366 4.136 ( 8.007 -0.553 -7.443) 10.946 4.447 ( 1.817 -8.252 5.219) 9.931 4.546 ( -0.031 -0.439 0.403) 0.596 4.608 ( -0.166 -11.666 -5.459) 12.881 4.861 ( 4.022 -5.249 2.044) 6.922 4.904 ( 0.895 1.314 6.184) 6.385 5.129 ( 4.891 2.045 2.272) 5.768 5.151 ( 5.297 -2.691 -5.820) 8.317 5.404 ( 8.303 3.767 -6.036) 10.935 5.435 ( 2.344 2.486 6.483) 7.328 5.643 ( 3.201 4.053 -2.571) 5.770 5.666 ( 1.842 3.938 -3.127) 5.356 5.849 ( 1.440 0.913 1.474) 2.254 6.095 ( -2.723 1.217 -6.408) 7.068 6.312 ( 4.380 -3.581 -0.911) 5.730 6.329 ( 5.878 -1.691 1.967) 6.425 6.387 ( 6.625 -9.108 2.038) 11.445 6.642 ( -1.534 -2.700 5.315) 6.155 7.070 ( -4.652 4.761 -5.280) 8.496 7.152 ( 10.898 -2.417 1.374) 11.247 7.270 ( 3.600 2.576 3.983) 5.955 7.474 ( -1.462 -5.209 0.109) 5.412 7.659 ( -9.688 -5.990 -1.325) 11.467 8.747 ( -0.406 -0.767 -0.925) 1.268 8.972 ( -6.009 -0.712 -0.998) 6.133 9.103 ( 0.624 -4.470 -6.660) 8.045 9.230 ( 3.958 0.914 4.599) 6.137 9.432 ( -5.547 0.288 0.005) 5.555 9.477 ( -11.166 -2.373 1.399) 11.501 9.709 ( -5.189 -1.364 -1.498) 5.570 9.832 ( -5.763 -6.806 1.650) 9.070 10.080 ( 4.397 6.093 -0.155) 7.516 10.216 ( 6.647 1.776 3.438) 7.691 10.454 ( 6.361 5.499 2.365) 8.735 10.578 ( 5.271 2.019 -3.275) 6.526 11.285 ( -9.413 -2.045 0.788) 9.665 11.306 ( -8.311 -2.187 -0.119) 8.594 11.612 ( -5.026 -3.156 -1.670) 6.165 11.723 ( -6.567 0.106 -1.989) 6.862 12.881 ( 14.204 -7.046 -0.612) 15.868 13.075 ( 3.531 -4.562 -0.206) 5.772 13.348 ( -4.263 -5.743 1.082) 7.234 13.391 ( -2.011 2.486 -0.922) 3.328 13.464 ( 5.893 -1.354 0.192) 6.050 13.690 ( -0.848 3.772 0.042) 3.866 13.797 ( 1.664 1.332 0.956) 2.336 14.009 ( -1.657 1.368 -0.793) 2.290 14.311 ( 1.973 8.516 1.008) 8.800 14.447 ( 3.246 5.533 0.661) 6.449 14.643 ( 7.684 11.306 0.344) 13.675 15.128 ( -1.256 3.935 -0.035) 4.131 15.534 ( -3.507 5.922 0.554) 6.905 15.621 ( 1.131 3.848 -2.680) 4.824 15.702 ( -3.621 -2.181 -1.150) 4.381 15.843 ( 0.523 3.985 0.567) 4.059 16.548 ( -2.308 1.574 -1.265) 3.067 16.678 ( -0.817 0.686 -0.420) 1.147 16.725 ( -4.158 1.786 2.059) 4.972 16.807 ( -3.047 -3.021 -1.326) 4.491 19.240 ( 4.137 -4.680 -3.601) 7.210 19.411 ( 1.456 -4.780 1.298) 5.163 20.171 ( 1.471 3.551 1.915) 4.295 20.469 ( -0.009 4.351 -4.226) 6.065 21.329 ( -3.570 -3.741 7.177) 8.846 21.464 ( 1.463 -1.806 -6.834) 7.218 23.306 ( 0.497 -1.580 -1.391) 2.163 23.431 ( -4.177 -2.396 0.748) 4.873 26.701 ( 1.384 0.108 0.081) 1.390 26.802 ( -0.976 0.162 0.082) 0.993 29.090 ( 6.372 7.435 -0.222) 9.794 29.648 ( -2.983 8.327 0.137) 8.846 29.970 ( -18.299 -2.849 8.781) 20.495 30.689 ( 3.827 -0.103 -3.002) 4.865 30.809 ( -1.747 -0.704 -9.030) 9.224 30.829 ( -0.697 0.893 -8.076) 8.155 31.146 ( 9.830 11.958 -9.345) 18.082 31.386 ( -2.549 5.633 -1.521) 6.367 32.252 ( -2.200 0.692 -1.192) 2.596 32.272 ( -1.571 1.269 0.039) 2.020 32.439 ( -3.957 -1.183 0.080) 4.131 32.721 ( -1.473 5.271 -2.674) 6.091 33.648 ( -4.003 0.420 6.552) 7.689 33.911 ( 3.010 -2.875 -7.236) 8.348 35.496 ( 2.488 0.168 4.285) 4.958 35.795 ( 1.717 1.568 7.743) 8.085 35.822 ( 0.755 0.605 -2.432) 2.617 36.373 ( -4.616 0.678 8.292) 9.514 36.511 ( -0.052 5.033 -2.556) 5.645 36.611 ( 0.862 -0.834 -8.294) 8.380 37.937 ( 2.803 -8.695 21.811) 23.647 38.499 ( 8.456 -13.947 -8.618) 18.447 ======================= Grid point 150 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.377 15.295 4.518) 15.953 1.068 ( -0.079 6.389 -4.056) 7.568 1.229 ( -5.629 11.649 20.280) 24.055 1.524 ( -18.882 19.826 15.235) 31.332 2.055 ( 0.584 -3.331 -18.376) 18.685 2.287 ( 4.890 20.676 18.511) 28.180 2.376 ( -15.346 13.709 -10.877) 23.275 2.781 ( 0.417 3.896 2.820) 4.828 2.978 ( -5.650 0.778 1.829) 5.990 3.133 ( -3.405 -1.921 10.164) 10.890 3.265 ( -0.080 16.397 -9.378) 18.890 3.450 ( 0.849 2.274 3.996) 4.676 3.571 ( 3.943 -4.092 -11.542) 12.865 3.700 ( -3.480 -6.239 6.803) 9.865 3.724 ( -9.001 -6.554 -6.435) 12.860 3.881 ( -0.280 -4.946 -4.001) 6.368 4.110 ( 2.190 -0.767 9.810) 10.081 4.325 ( 11.802 -6.578 -1.929) 13.648 4.463 ( -2.968 0.867 -4.979) 5.862 4.659 ( -4.914 -10.632 1.073) 11.762 4.696 ( 5.520 -5.279 3.343) 8.337 4.890 ( 0.137 3.918 2.766) 4.798 5.003 ( 2.495 -1.186 -0.486) 2.805 5.065 ( -3.450 0.852 -2.577) 4.389 5.225 ( 3.562 -2.035 -4.926) 6.411 5.425 ( 2.258 -1.367 -6.933) 7.419 5.482 ( -0.197 2.856 9.816) 10.225 5.658 ( 5.527 1.955 -0.343) 5.872 5.719 ( 7.433 1.543 -3.019) 8.169 5.871 ( -0.467 4.599 -2.155) 5.100 6.148 ( 10.922 -9.422 3.472) 14.836 6.392 ( 4.597 -0.286 -2.023) 5.030 6.441 ( 1.427 -3.436 3.805) 5.321 6.554 ( 2.102 -6.669 -1.991) 7.270 6.740 ( 2.329 -10.219 3.851) 11.166 6.913 ( -4.496 2.479 -3.911) 6.454 7.341 ( 7.952 0.591 6.848) 10.511 7.401 ( 6.802 -7.068 0.854) 9.847 7.519 ( 0.052 -2.892 0.460) 2.928 7.566 ( -6.312 -6.309 -2.225) 9.197 8.779 ( 2.242 -4.102 -0.722) 4.730 8.901 ( -4.259 -3.196 -0.603) 5.359 9.066 ( -3.795 -0.463 0.410) 3.845 9.259 ( -12.948 2.138 0.489) 13.132 9.313 ( 2.374 1.019 2.427) 3.545 9.407 ( -0.159 0.101 -2.122) 2.130 9.682 ( 0.805 -5.528 -0.789) 5.642 9.827 ( -5.639 -6.909 0.392) 8.927 10.096 ( 5.245 4.845 0.063) 7.141 10.261 ( -1.341 2.417 1.341) 3.072 10.483 ( 4.187 4.355 4.913) 7.787 10.659 ( 7.939 4.121 -3.341) 9.549 11.174 ( -6.588 -2.638 0.698) 7.131 11.237 ( -5.318 -4.002 -0.051) 6.656 11.553 ( -4.952 -3.674 -1.845) 6.436 11.596 ( -6.372 -0.129 -2.790) 6.957 13.128 ( 8.280 -5.590 -0.597) 10.008 13.191 ( 5.524 -2.515 -0.205) 6.073 13.317 ( -5.400 -3.335 -0.262) 6.352 13.318 ( -1.411 3.653 -0.410) 3.938 13.607 ( 6.662 -1.011 0.312) 6.746 13.660 ( 4.730 3.823 0.108) 6.083 13.808 ( -1.611 -0.983 0.956) 2.116 13.981 ( -1.726 1.029 -0.074) 2.010 14.167 ( -8.432 8.006 0.433) 11.635 14.369 ( -2.343 7.824 -1.292) 8.269 14.657 ( 8.594 15.589 4.298) 18.312 15.063 ( 1.314 12.215 -5.281) 13.372 15.425 ( -2.234 5.370 1.291) 5.957 15.529 ( -0.626 8.989 -7.508) 11.729 15.658 ( -3.525 -2.251 0.426) 4.204 15.769 ( -4.172 3.909 -1.503) 5.911 16.520 ( 0.895 0.347 -0.583) 1.124 16.624 ( -3.771 2.051 -0.516) 4.323 16.662 ( -0.869 2.521 1.645) 3.133 16.763 ( -4.466 -1.187 -0.580) 4.658 19.371 ( 6.856 -6.834 -2.399) 9.973 19.484 ( -0.626 -6.184 1.006) 6.297 20.168 ( 0.992 3.666 2.321) 4.451 20.362 ( -1.861 7.025 -5.911) 9.367 21.363 ( -3.709 -5.632 6.761) 9.549 21.479 ( 2.636 -2.884 -6.874) 7.907 23.304 ( -3.226 0.203 4.125) 5.241 23.405 ( -0.402 -3.710 -4.825) 6.100 26.728 ( 1.805 -0.222 0.063) 1.820 26.781 ( -1.333 0.433 0.101) 1.405 29.138 ( 10.303 8.648 -0.424) 13.458 29.549 ( 1.806 8.952 0.380) 9.140 29.677 ( -20.695 7.086 6.746) 22.891 30.325 ( -23.927 16.981 -35.660) 46.179 30.749 ( 3.284 2.789 0.884) 4.398 30.810 ( 0.114 1.070 -0.456) 1.168 31.132 ( 4.951 6.849 1.428) 8.571 31.320 ( 2.234 5.351 -4.100) 7.102 32.202 ( -1.695 1.230 -0.601) 2.179 32.215 ( -2.423 1.795 -0.347) 3.035 32.435 ( 0.048 -0.493 3.824) 3.856 32.608 ( -2.215 5.131 -3.553) 6.623 33.655 ( -1.774 -0.610 9.283) 9.471 33.928 ( 2.011 -2.318 -8.730) 9.254 35.558 ( 1.598 0.337 5.319) 5.564 35.781 ( -0.705 0.836 -4.131) 4.273 35.922 ( 7.783 2.045 8.762) 11.896 36.325 ( -5.393 2.098 2.697) 6.384 36.426 ( -2.229 4.104 1.990) 5.077 36.596 ( 2.191 -1.048 -8.184) 8.537 38.341 ( 6.600 -23.693 25.170) 35.192 38.748 ( 9.230 -16.623 -8.801) 20.952 ======================= Grid point 151 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 7.441 14.462 8.335) 18.276 0.860 ( -3.940 16.253 -4.602) 17.345 1.317 ( 9.248 7.107 22.434) 25.285 1.386 ( 4.073 4.830 24.124) 24.937 1.857 ( -7.049 9.876 -21.969) 25.097 1.946 ( -2.512 3.620 -20.733) 21.196 2.372 ( 4.404 18.707 28.529) 34.398 2.763 ( 0.208 13.546 -5.745) 14.715 2.837 ( -1.056 4.650 5.046) 6.943 3.009 ( -0.617 3.202 -8.399) 9.010 3.245 ( -0.838 -0.958 9.098) 9.187 3.425 ( -1.249 0.594 0.384) 1.435 3.590 ( -2.116 1.809 -3.627) 4.572 3.661 ( 3.166 -10.855 -14.915) 18.716 3.819 ( 2.766 -7.430 1.806) 8.131 3.910 ( 2.829 -3.389 -5.699) 7.209 4.172 ( -1.991 2.316 11.368) 11.771 4.340 ( -2.938 5.700 -5.159) 8.230 4.554 ( 6.350 -6.620 2.417) 9.486 4.610 ( -10.449 -6.702 -1.154) 12.467 4.766 ( -0.972 0.131 3.533) 3.667 4.874 ( 2.667 4.199 -5.174) 7.177 4.935 ( -5.699 -0.764 7.882) 9.757 5.077 ( 1.331 0.807 -2.551) 2.988 5.301 ( -0.854 -3.607 2.634) 4.547 5.370 ( -4.932 -4.877 -3.342) 7.699 5.521 ( -2.680 1.744 7.477) 8.132 5.698 ( 3.209 3.078 -7.928) 9.090 5.764 ( 3.741 1.948 1.112) 4.362 5.837 ( 5.144 4.969 -4.450) 8.423 6.382 ( -0.624 -1.492 1.705) 2.350 6.448 ( 4.683 -0.106 -3.125) 5.631 6.507 ( -2.130 -8.684 3.469) 9.591 6.601 ( -0.457 -4.954 -3.701) 6.201 6.886 ( -0.745 -10.640 2.026) 10.857 6.926 ( 1.989 -11.384 -2.163) 11.757 7.453 ( -2.220 -1.793 6.922) 7.487 7.508 ( -1.302 -3.452 2.866) 4.672 7.584 ( 2.618 -9.163 -1.796) 9.697 7.604 ( 1.738 -6.588 -1.580) 6.994 8.871 ( 0.753 -5.041 0.409) 5.113 8.887 ( -0.846 -4.017 -0.997) 4.224 9.060 ( 4.498 1.202 1.751) 4.974 9.092 ( -2.850 0.700 -1.351) 3.230 9.332 ( 0.502 1.732 2.520) 3.099 9.384 ( -0.156 2.110 -2.415) 3.211 9.775 ( -5.927 -6.241 1.374) 8.716 9.811 ( 5.281 -3.501 -2.391) 6.773 10.149 ( -0.415 -0.220 3.007) 3.043 10.186 ( -1.072 1.910 -0.675) 2.292 10.550 ( 2.947 3.303 4.778) 6.514 10.643 ( -1.857 4.579 -4.115) 6.430 11.154 ( -0.746 -0.886 2.405) 2.669 11.203 ( 0.646 -1.255 -2.140) 2.564 11.523 ( 0.321 -2.374 -0.519) 2.451 11.540 ( -1.038 -3.121 -2.042) 3.871 13.245 ( 0.815 1.897 0.593) 2.148 13.253 ( -1.797 -0.520 -0.300) 1.894 13.269 ( -0.911 -2.544 -0.046) 2.703 13.283 ( 0.866 -2.820 -1.215) 3.191 13.694 ( 6.540 6.959 1.373) 9.648 13.724 ( -7.049 5.362 -1.518) 8.985 13.762 ( 3.187 0.210 1.420) 3.496 13.786 ( -3.495 -0.947 -0.867) 3.723 14.168 ( 5.299 2.073 2.100) 6.065 14.218 ( -5.212 3.530 -2.731) 6.862 14.606 ( 3.922 21.173 5.575) 22.243 14.761 ( -4.050 27.618 -10.283) 29.747 15.374 ( -1.456 1.918 1.820) 3.018 15.421 ( 0.220 3.835 -3.049) 4.904 15.654 ( 0.579 -0.299 0.867) 1.085 15.672 ( -0.774 1.187 -0.891) 1.674 16.535 ( -2.882 1.833 0.382) 3.437 16.559 ( 4.435 1.321 -1.768) 4.954 16.676 ( 3.242 0.947 1.293) 3.617 16.694 ( -3.425 0.798 -0.413) 3.541 19.512 ( -4.314 -6.363 0.920) 7.743 19.533 ( 4.212 -6.266 -1.131) 7.634 20.142 ( -3.295 3.700 4.179) 6.482 20.243 ( 2.584 6.318 -5.876) 9.007 21.396 ( -4.514 -5.247 6.052) 9.194 21.515 ( 2.729 -3.038 -5.506) 6.855 23.280 ( -3.624 -1.254 7.157) 8.119 23.422 ( 2.410 -1.612 -6.325) 6.958 26.755 ( -0.166 0.085 0.102) 0.212 26.757 ( 0.238 0.129 -0.078) 0.282 29.213 ( 0.646 15.004 1.848) 15.131 29.281 ( -0.754 17.532 -4.486) 18.113 29.558 ( 8.661 5.677 -0.360) 10.362 29.618 ( -12.968 15.630 -8.374) 21.968 30.765 ( 0.311 1.488 1.634) 2.232 30.796 ( -0.090 0.930 -1.293) 1.595 31.154 ( 0.773 2.981 4.302) 5.291 31.256 ( -1.140 4.088 -5.254) 6.754 32.172 ( -0.693 1.204 0.167) 1.399 32.177 ( 0.605 1.177 -0.350) 1.369 32.475 ( 2.013 0.432 2.170) 2.991 32.530 ( 0.831 3.022 -3.499) 4.698 33.700 ( -1.722 -0.790 10.692) 10.858 33.917 ( 1.343 -1.651 -9.846) 10.073 35.610 ( 1.345 0.390 5.671) 5.841 35.729 ( -0.884 0.806 -5.457) 5.586 36.085 ( 8.907 1.694 4.843) 10.279 36.188 ( -5.842 3.789 -4.568) 8.328 36.405 ( -2.686 0.538 8.692) 9.113 36.591 ( 2.602 -0.370 -8.575) 8.968 38.777 ( -4.591 -26.248 14.650) 30.408 38.980 ( 3.712 -15.680 -6.554) 17.396 ======================= Grid point 154 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -3.368 -0.000 -1.823) 3.830 1.058 ( 10.332 0.000 -0.587) 10.348 1.873 ( 17.468 0.000 -5.709) 18.377 1.882 ( 5.796 0.000 0.954) 5.874 2.234 ( -2.931 -0.000 -0.850) 3.052 2.405 ( 5.990 0.000 1.277) 6.125 2.572 ( 9.479 0.000 -3.725) 10.184 3.066 ( -8.782 -0.000 0.011) 8.782 3.145 ( 6.037 0.000 -8.887) 10.744 3.236 ( -0.541 -0.000 20.830) 20.837 3.290 ( -6.471 -0.000 -1.610) 6.668 3.398 ( -1.672 -0.000 -7.381) 7.568 3.588 ( -5.138 -0.000 -2.908) 5.904 3.740 ( -4.539 -0.000 0.209) 4.543 3.903 ( 1.749 0.000 -11.023) 11.161 3.914 ( -1.264 -0.000 -0.318) 1.304 4.071 ( -15.066 -0.000 18.557) 23.903 4.091 ( 4.301 0.000 -12.467) 13.188 4.409 ( 1.193 0.000 6.282) 6.394 4.423 ( 0.034 0.000 5.272) 5.272 4.624 ( 5.487 0.000 -0.467) 5.506 4.751 ( -0.523 -0.000 -0.675) 0.854 4.835 ( -5.365 -0.000 3.976) 6.678 4.864 ( -11.238 -0.000 -0.547) 11.251 5.056 ( 2.287 0.000 5.091) 5.581 5.069 ( 11.504 0.000 -0.691) 11.524 5.331 ( 0.880 0.000 1.204) 1.491 5.504 ( 8.496 0.000 -1.110) 8.568 5.772 ( -0.169 -0.000 -0.433) 0.465 5.958 ( 0.728 0.000 -4.597) 4.654 6.124 ( 4.604 0.000 -1.696) 4.906 6.239 ( -6.761 -0.000 -5.820) 8.921 6.271 ( -0.989 -0.000 -2.295) 2.499 6.310 ( -3.181 -0.000 2.361) 3.962 6.726 ( -10.501 -0.000 7.762) 13.058 6.806 ( 4.104 0.000 5.103) 6.548 7.273 ( 5.023 0.000 -0.277) 5.030 7.321 ( 1.338 0.000 -7.919) 8.031 7.634 ( -4.616 -0.000 -0.222) 4.621 7.744 ( -8.599 -0.000 1.399) 8.712 8.826 ( 1.160 0.000 -2.966) 3.185 8.964 ( -0.264 -0.000 5.355) 5.362 9.075 ( -2.686 -0.000 -8.209) 8.638 9.229 ( 0.670 0.000 2.892) 2.969 9.651 ( -6.525 -0.000 -1.185) 6.632 9.706 ( -1.371 -0.000 -0.951) 1.668 9.777 ( 4.632 0.000 -2.163) 5.112 9.804 ( -9.155 -0.000 4.666) 10.276 10.040 ( 1.911 0.000 3.151) 3.685 10.064 ( 1.053 0.000 -2.407) 2.627 10.336 ( 8.062 0.000 -5.286) 9.640 10.415 ( 4.787 0.000 5.055) 6.962 11.477 ( -1.471 -0.000 0.792) 1.670 11.502 ( 0.997 0.000 -0.267) 1.032 11.735 ( -4.280 -0.000 -0.280) 4.289 11.820 ( 1.735 0.000 -0.415) 1.784 12.736 ( -10.998 -0.000 -0.480) 11.008 12.844 ( -6.359 -0.000 0.184) 6.362 13.218 ( -1.585 -0.000 -1.111) 1.935 13.323 ( -0.325 -0.000 1.146) 1.191 13.611 ( 1.161 0.000 1.997) 2.310 13.618 ( -0.605 -0.000 -1.699) 1.803 13.890 ( 1.225 0.000 -1.322) 1.802 13.930 ( 3.433 0.000 1.128) 3.614 14.390 ( 2.177 0.000 -0.246) 2.190 14.452 ( -0.719 -0.000 -0.026) 0.719 14.805 ( 15.056 0.000 1.788) 15.162 14.815 ( 11.968 0.000 -0.463) 11.977 15.546 ( 5.213 0.000 -2.576) 5.815 15.632 ( 2.882 0.000 2.387) 3.742 15.798 ( -0.730 -0.000 2.219) 2.336 15.836 ( 0.330 0.000 -3.226) 3.243 16.591 ( 1.365 0.000 -0.520) 1.460 16.684 ( 0.744 0.000 0.959) 1.214 16.817 ( 1.429 0.000 -3.563) 3.839 16.846 ( -4.638 -0.000 4.368) 6.370 19.257 ( -1.654 -0.000 4.066) 4.390 19.292 ( -5.624 -0.000 -3.656) 6.708 20.176 ( 2.604 0.000 3.866) 4.662 20.454 ( 4.554 0.000 -2.959) 5.431 21.330 ( -4.598 -0.000 7.772) 9.030 21.523 ( -0.632 -0.000 -5.816) 5.850 23.262 ( 0.413 0.000 -8.258) 8.268 23.421 ( -2.023 -0.000 8.669) 8.902 26.721 ( 0.132 0.000 -0.280) 0.310 26.783 ( 0.004 0.000 0.424) 0.424 29.226 ( 6.856 0.000 -0.324) 6.864 29.642 ( 10.441 0.000 1.213) 10.511 30.201 ( -8.927 -0.000 -3.816) 9.708 30.308 ( -4.280 -0.000 5.802) 7.210 30.792 ( 6.429 0.000 -3.025) 7.105 30.836 ( 0.264 0.000 0.962) 0.998 31.038 ( 13.748 0.000 -7.339) 15.584 31.604 ( 4.021 0.000 18.785) 19.210 32.189 ( -0.447 -0.000 2.171) 2.216 32.322 ( 0.935 0.000 0.347) 0.998 32.633 ( -0.051 -0.000 -8.618) 8.618 32.637 ( 5.798 0.000 4.414) 7.287 33.761 ( -5.183 -0.000 8.630) 10.067 33.793 ( 3.450 0.000 -7.795) 8.524 35.450 ( -1.204 -0.000 -2.197) 2.505 35.773 ( -0.471 -0.000 -3.232) 3.266 35.817 ( 1.173 0.000 0.301) 1.211 36.436 ( -3.501 -0.000 10.092) 10.682 36.559 ( 3.699 0.000 -8.978) 9.711 36.583 ( 4.950 0.000 -0.898) 5.031 38.120 ( -5.744 -0.000 -21.361) 22.120 38.185 ( -15.102 -0.000 16.991) 22.733 ======================= Grid point 155 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.560 1.991 -0.632) 2.162 1.145 ( 1.188 1.128 -0.639) 1.758 1.931 ( -7.034 4.103 3.810) 8.990 2.150 ( 6.067 -4.145 -0.982) 7.413 2.208 ( 20.607 4.374 1.408) 21.113 2.481 ( 1.345 4.783 2.211) 5.439 2.696 ( 5.818 -4.311 -3.770) 8.164 2.927 ( -2.881 6.552 0.931) 7.218 3.032 ( -17.178 -0.470 -7.428) 18.721 3.195 ( -5.231 -6.124 0.656) 8.080 3.221 ( 2.798 -0.765 -7.406) 7.954 3.381 ( 0.779 3.849 11.971) 12.599 3.485 ( -6.083 1.166 -4.911) 7.904 3.719 ( -1.062 1.591 3.435) 3.932 3.887 ( -1.319 -2.761 -0.545) 3.108 3.895 ( -5.091 -10.509 -1.515) 11.775 4.038 ( -2.931 -4.114 6.272) 8.053 4.118 ( 6.054 -1.066 -8.197) 10.246 4.394 ( 0.997 10.556 -1.554) 10.716 4.427 ( -7.101 -1.801 1.980) 7.588 4.625 ( -4.163 5.640 2.113) 7.322 4.770 ( 8.252 -4.636 -3.283) 10.019 4.790 ( -1.343 -1.772 3.303) 3.981 4.815 ( -2.791 -5.241 5.331) 7.980 5.179 ( 6.372 0.864 2.730) 6.985 5.284 ( 14.515 -0.600 -3.520) 14.947 5.378 ( 4.495 3.275 7.592) 9.411 5.635 ( 4.184 -2.998 0.907) 5.227 5.833 ( 4.496 -1.859 2.144) 5.317 5.922 ( 3.717 7.280 -5.810) 10.029 6.084 ( -6.428 -1.669 -7.653) 10.133 6.169 ( 1.198 -2.882 -5.260) 6.116 6.256 ( 0.681 1.065 -1.295) 1.809 6.277 ( -2.324 0.240 5.257) 5.753 6.630 ( -7.556 0.602 9.471) 12.131 6.936 ( 8.111 -0.801 2.541) 8.537 7.270 ( -0.069 1.960 -8.386) 8.612 7.321 ( 2.227 2.293 0.871) 3.313 7.522 ( -5.867 3.853 -0.190) 7.022 7.635 ( -8.429 -5.611 -0.272) 10.130 8.808 ( -0.477 1.636 -2.151) 2.744 8.975 ( 2.152 0.585 -1.681) 2.792 9.024 ( -2.836 -3.736 -4.368) 6.409 9.246 ( -1.106 1.172 3.580) 3.926 9.510 ( -6.418 1.238 -0.605) 6.564 9.605 ( -13.324 -1.190 3.288) 13.775 9.716 ( -4.252 -3.930 0.779) 5.842 9.766 ( -5.063 -1.498 -1.244) 5.425 10.137 ( 9.068 2.521 1.881) 9.598 10.157 ( 8.351 1.862 1.048) 8.620 10.403 ( 7.894 2.604 -3.415) 8.986 10.527 ( 1.838 -2.907 2.717) 4.383 11.410 ( -7.646 0.612 1.363) 7.791 11.449 ( -7.543 -0.013 -1.327) 7.659 11.643 ( -5.644 -0.587 -1.455) 5.858 11.809 ( -2.807 -0.124 -1.155) 3.038 12.625 ( 3.034 2.275 -0.731) 3.862 12.841 ( -0.237 -6.888 0.354) 6.901 13.221 ( 1.175 -1.744 -0.130) 2.107 13.346 ( 1.404 -1.478 -0.012) 2.038 13.572 ( 0.658 5.311 0.168) 5.355 13.668 ( -0.250 -3.915 0.410) 3.944 13.884 ( 2.267 4.125 -0.348) 4.720 14.006 ( 1.447 -2.849 0.195) 3.202 14.428 ( 4.002 2.408 0.181) 4.674 14.461 ( 2.028 0.039 0.537) 2.099 14.847 ( 12.909 15.691 0.492) 20.324 15.112 ( 4.159 -9.212 0.707) 10.132 15.573 ( 0.762 -0.259 -2.426) 2.556 15.674 ( 0.163 -1.026 1.264) 1.636 15.775 ( 0.863 5.429 -0.117) 5.499 15.862 ( 2.455 -2.052 0.124) 3.202 16.621 ( 1.644 -1.381 0.303) 2.169 16.668 ( -2.301 1.309 -0.421) 2.680 16.789 ( -3.022 0.673 2.288) 3.849 16.808 ( -2.236 -1.093 -1.328) 2.821 19.193 ( -1.864 0.998 -3.593) 4.169 19.278 ( -1.073 -2.725 2.588) 3.908 20.230 ( 2.502 2.399 4.127) 5.390 20.507 ( 4.276 -0.372 -4.238) 6.032 21.300 ( -5.050 -0.348 7.306) 8.888 21.473 ( -0.490 -0.114 -6.827) 6.846 23.236 ( 1.170 -2.069 -7.518) 7.885 23.425 ( -4.759 -0.967 7.755) 9.150 26.717 ( 0.583 1.447 -0.102) 1.564 26.790 ( -0.311 -1.200 0.268) 1.268 29.282 ( 6.329 9.881 1.314) 11.808 29.786 ( -1.603 -10.806 2.933) 11.312 29.985 ( -8.744 7.227 -1.111) 11.398 30.411 ( 6.430 -10.589 -3.340) 12.831 30.827 ( 1.183 0.016 -1.300) 1.758 30.844 ( 0.456 0.628 0.558) 0.956 31.237 ( 17.915 3.794 -9.609) 20.680 31.657 ( -3.046 6.106 9.182) 11.439 32.216 ( 0.125 -2.288 3.424) 4.120 32.310 ( -1.054 0.373 -1.745) 2.072 32.543 ( -3.655 1.149 -7.212) 8.166 32.765 ( 3.466 -0.168 6.790) 7.626 33.712 ( -6.279 0.154 6.052) 8.722 33.817 ( 4.014 -1.411 -6.626) 7.874 35.449 ( 1.172 0.035 1.674) 2.043 35.771 ( 0.182 0.190 4.012) 4.020 35.829 ( 0.854 -0.086 -1.556) 1.777 36.423 ( -4.990 0.622 9.215) 10.497 36.558 ( 3.289 0.357 -7.998) 8.655 36.644 ( 3.077 0.131 -2.792) 4.157 37.925 ( -2.179 6.320 -6.643) 9.425 38.135 ( -6.014 -8.508 4.749) 11.450 ======================= Grid point 156 (75/93) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.793 1.855 0.239) 2.591 1.100 ( -2.560 1.798 0.058) 3.129 1.779 ( -3.221 3.184 -9.975) 10.955 2.052 ( -1.199 14.994 -1.714) 15.139 2.357 ( -12.364 13.829 8.427) 20.375 2.611 ( 4.236 -10.328 5.748) 12.555 2.712 ( 14.495 13.047 4.510) 20.017 2.872 ( 0.567 2.544 -2.834) 3.851 2.919 ( 2.057 -4.389 -3.353) 5.894 3.148 ( -5.440 3.645 1.005) 6.625 3.204 ( -0.259 -4.069 -7.075) 8.166 3.337 ( -5.109 -2.761 2.182) 6.203 3.562 ( 8.091 -7.418 2.575) 11.274 3.720 ( -4.522 0.087 8.565) 9.686 3.787 ( -7.959 0.652 2.218) 8.288 3.962 ( 1.082 -1.719 2.673) 3.357 4.052 ( -1.227 -1.370 -6.097) 6.368 4.171 ( -4.208 -5.720 -0.778) 7.144 4.286 ( 3.665 5.496 -2.404) 7.030 4.354 ( -2.364 -8.876 -5.200) 10.555 4.567 ( 0.012 4.697 3.252) 5.713 4.808 ( 1.985 -0.364 1.976) 2.824 4.876 ( -0.671 -4.592 5.880) 7.491 4.988 ( 7.898 -9.445 -1.901) 12.458 5.207 ( 0.345 2.711 -4.050) 4.885 5.424 ( 2.655 0.253 -2.464) 3.631 5.499 ( 7.783 2.585 7.412) 11.055 5.691 ( 0.711 0.668 2.211) 2.417 5.823 ( 0.518 8.007 -5.346) 9.642 5.897 ( 2.534 4.490 -2.187) 5.600 6.065 ( 0.834 -5.824 -2.457) 6.376 6.171 ( 1.855 -5.456 -4.175) 7.116 6.292 ( 1.521 -1.314 5.156) 5.534 6.303 ( 2.365 -2.277 -0.823) 3.385 6.604 ( -2.586 -0.864 8.805) 9.218 7.095 ( 7.431 -1.805 -1.500) 7.793 7.175 ( -1.237 3.489 -6.511) 7.490 7.346 ( 3.507 2.717 3.065) 5.392 7.424 ( -1.627 1.097 -0.108) 1.965 7.550 ( -8.261 -4.083 -1.689) 9.369 8.759 ( -1.538 1.615 -1.598) 2.744 8.957 ( -5.770 -0.436 -1.302) 5.931 9.021 ( 3.935 -3.581 -7.112) 8.882 9.247 ( 0.924 0.964 5.030) 5.204 9.423 ( -8.192 -1.805 1.151) 8.467 9.445 ( -5.975 -0.209 1.473) 6.157 9.646 ( -12.742 -3.946 1.619) 13.437 9.707 ( -2.948 -4.726 -1.502) 5.769 10.227 ( 5.341 7.329 1.907) 9.267 10.275 ( 9.764 4.181 1.794) 10.772 10.523 ( 7.777 0.143 0.379) 7.787 10.564 ( 1.056 -2.578 -0.816) 2.903 11.262 ( -10.265 -0.072 1.073) 10.321 11.283 ( -10.409 -0.196 -1.490) 10.517 11.555 ( -5.984 -2.335 -1.885) 6.694 11.721 ( -6.885 -0.258 -1.898) 7.146 12.772 ( 12.614 -3.452 -0.793) 13.102 12.959 ( 6.066 -5.643 0.435) 8.296 13.271 ( 1.669 -1.708 0.665) 2.479 13.395 ( 3.855 -0.880 -0.930) 4.062 13.522 ( -0.397 4.740 0.213) 4.761 13.693 ( -1.026 -2.705 0.669) 2.970 13.878 ( 2.839 5.294 0.049) 6.008 14.018 ( -1.073 -0.600 -0.581) 1.360 14.435 ( -0.844 3.681 -0.412) 3.798 14.526 ( 5.966 2.574 2.004) 6.799 14.886 ( 7.342 11.297 0.670) 13.490 15.160 ( -1.192 -0.494 -0.199) 1.305 15.574 ( -0.114 -0.582 -1.087) 1.238 15.669 ( -2.804 -1.097 1.021) 3.180 15.739 ( 3.201 7.227 -1.387) 8.025 15.917 ( 3.060 1.816 0.859) 3.660 16.595 ( -3.135 2.642 -0.661) 4.153 16.661 ( 0.273 -1.900 0.077) 1.921 16.753 ( -2.465 0.985 2.244) 3.476 16.770 ( -2.434 -0.921 -1.037) 2.801 19.174 ( 2.199 -1.745 -4.115) 4.982 19.313 ( -1.031 -4.414 1.973) 4.943 20.258 ( 2.165 4.303 4.032) 6.281 20.532 ( 3.046 1.806 -5.400) 6.458 21.274 ( -4.857 -1.774 7.079) 8.766 21.434 ( 0.426 -1.129 -7.374) 7.472 23.246 ( 2.119 -3.206 -6.490) 7.542 23.384 ( -7.601 -2.101 6.419) 10.169 26.716 ( 1.212 1.284 0.044) 1.766 26.795 ( -0.774 -0.885 0.152) 1.186 29.276 ( 5.823 10.450 1.300) 12.033 29.748 ( -12.501 -2.516 1.161) 12.804 29.886 ( -1.998 -0.599 5.820) 6.183 30.587 ( 8.102 -6.572 -12.454) 16.246 30.828 ( 0.445 0.735 -1.750) 1.949 30.843 ( 0.215 1.013 0.237) 1.062 31.376 ( 14.378 8.829 -11.035) 20.161 31.548 ( -4.631 8.462 3.565) 10.284 32.257 ( -0.022 -0.507 -0.361) 0.623 32.282 ( -1.088 -0.168 1.370) 1.758 32.427 ( -4.635 0.284 -2.822) 5.434 32.795 ( -1.895 2.131 1.092) 3.053 33.652 ( -4.916 0.014 5.818) 7.617 33.856 ( 3.198 -2.335 -6.536) 7.642 35.500 ( 2.432 0.145 4.678) 5.275 35.822 ( 0.654 0.720 1.290) 1.616 35.835 ( 2.570 0.832 6.583) 7.116 36.387 ( -5.265 0.572 8.148) 9.718 36.560 ( 2.885 -0.494 -7.299) 7.864 36.631 ( 0.027 2.919 -4.657) 5.497 37.861 ( -1.105 1.150 8.103) 8.259 38.215 ( 1.880 -13.496 -5.024) 14.523 ======================= Grid point 157 (76/93) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.145 5.657 2.007) 6.111 1.065 ( -2.798 -1.350 1.834) 3.607 1.608 ( -1.937 17.363 1.930) 17.577 1.866 ( -3.611 10.968 -6.836) 13.419 2.107 ( -2.333 13.266 3.833) 14.004 2.635 ( -9.744 11.094 -13.448) 19.972 2.704 ( 3.316 7.569 10.492) 13.356 2.799 ( 1.242 8.068 8.465) 11.760 3.013 ( 6.917 4.357 -2.208) 8.467 3.127 ( 3.845 0.367 3.269) 5.060 3.253 ( 1.624 -14.034 -4.751) 14.905 3.410 ( 1.243 -2.364 6.405) 6.940 3.601 ( -10.258 4.289 3.827) 11.759 3.641 ( -11.055 -3.479 0.944) 11.628 3.728 ( -2.333 -0.121 2.919) 3.739 3.915 ( 4.702 10.171 -8.781) 14.236 4.079 ( 4.499 -2.871 4.115) 6.739 4.190 ( 4.473 -5.286 -0.637) 6.954 4.361 ( -1.984 -9.935 1.401) 10.228 4.417 ( -1.664 -8.991 -5.069) 10.455 4.605 ( 5.005 -2.190 4.511) 7.085 4.896 ( 3.960 -3.767 2.234) 5.905 4.940 ( 0.290 -2.712 3.979) 4.824 5.086 ( -5.626 -0.514 -9.591) 11.131 5.149 ( 2.950 -5.459 -2.994) 6.890 5.380 ( -7.531 -3.116 -0.425) 8.162 5.576 ( 2.584 7.048 4.224) 8.614 5.696 ( 1.755 2.200 -0.700) 2.900 5.789 ( 5.644 3.782 0.171) 6.796 5.901 ( 4.028 0.897 -0.768) 4.197 6.090 ( 3.384 0.215 -1.082) 3.559 6.316 ( 2.111 -12.134 -2.426) 12.553 6.357 ( 3.657 -3.371 -1.533) 5.204 6.372 ( -0.474 -3.785 3.853) 5.422 6.664 ( 2.081 -0.745 7.491) 7.811 7.006 ( -4.183 5.261 -7.691) 10.214 7.238 ( 3.051 -5.640 -0.780) 6.459 7.399 ( -6.234 -2.385 -0.840) 6.728 7.423 ( 4.560 0.277 3.128) 5.537 7.510 ( 5.303 -0.300 -0.545) 5.340 8.733 ( 1.138 -0.264 -1.511) 1.910 8.859 ( -5.557 -0.464 -0.611) 5.610 9.055 ( 1.560 -0.951 -2.222) 2.877 9.288 ( -6.994 -0.844 1.842) 7.281 9.306 ( -4.211 0.052 1.808) 4.583 9.407 ( 0.902 -0.164 -2.734) 2.884 9.540 ( -5.167 -7.480 3.494) 9.740 9.697 ( -4.054 -5.980 -1.420) 7.363 10.227 ( 3.282 7.612 2.114) 8.555 10.343 ( 2.461 5.460 -0.035) 5.989 10.555 ( 1.339 1.783 5.515) 5.949 10.696 ( 8.717 -1.079 -3.989) 9.647 11.125 ( -7.549 -1.819 0.269) 7.770 11.153 ( -6.666 -3.262 -0.354) 7.430 11.486 ( -3.744 -2.620 -1.882) 4.942 11.592 ( -7.206 -0.460 -2.756) 7.729 13.007 ( 10.001 -5.247 -0.267) 11.297 13.115 ( 5.280 -4.709 0.016) 7.075 13.298 ( 1.253 1.313 0.558) 1.899 13.405 ( -1.438 4.123 -0.924) 4.463 13.553 ( 7.022 -2.388 -0.131) 7.419 13.704 ( -1.241 -2.267 0.849) 2.720 13.860 ( 2.387 5.903 -0.200) 6.370 14.009 ( -0.045 1.241 0.128) 1.248 14.325 ( -4.840 6.845 0.294) 8.388 14.514 ( -4.279 6.678 -0.257) 7.935 14.896 ( 6.655 7.098 3.420) 10.313 15.160 ( 1.659 1.224 -2.053) 2.910 15.549 ( -1.295 3.694 1.346) 4.139 15.631 ( -2.862 0.118 0.128) 2.867 15.704 ( 3.767 8.446 -2.026) 9.467 15.897 ( -0.460 7.228 -2.836) 7.778 16.539 ( -0.015 1.535 0.339) 1.572 16.645 ( -3.011 -0.157 -0.746) 3.106 16.716 ( -1.216 2.522 1.637) 3.243 16.745 ( -1.528 -0.430 -0.102) 1.590 19.248 ( 5.453 -4.908 -3.203) 8.005 19.350 ( -2.616 -6.450 1.086) 7.044 20.265 ( 1.417 5.303 4.483) 7.087 20.490 ( 1.015 5.290 -7.193) 8.987 21.272 ( -4.280 -3.447 7.280) 9.121 21.423 ( 1.867 -2.440 -7.670) 8.262 23.276 ( -1.590 -2.355 0.466) 2.879 23.324 ( -3.682 -3.990 -0.448) 5.448 26.732 ( 1.846 0.555 0.047) 1.929 26.784 ( -1.378 -0.175 0.136) 1.396 29.300 ( 8.205 7.295 1.111) 11.035 29.596 ( -9.277 -0.986 0.531) 9.344 29.851 ( -4.849 7.128 9.998) 13.202 30.543 ( -3.075 5.083 -26.363) 27.024 30.809 ( 1.107 2.487 -0.198) 2.729 30.834 ( -0.138 1.138 -0.119) 1.153 31.338 ( 0.784 11.914 0.079) 11.940 31.463 ( 5.002 7.918 -6.935) 11.654 32.230 ( -0.740 1.409 -1.431) 2.140 32.246 ( -3.124 1.309 -0.018) 3.387 32.419 ( 1.437 -1.221 4.463) 4.845 32.696 ( -4.330 3.189 -4.325) 6.901 33.643 ( -2.042 -0.541 8.009) 8.283 33.878 ( 1.924 -2.430 -7.545) 8.157 35.566 ( 1.723 0.354 5.916) 6.172 35.798 ( -0.101 0.819 -4.565) 4.639 35.968 ( 6.853 2.318 12.716) 14.630 36.349 ( -4.800 0.546 6.956) 8.469 36.534 ( -2.384 5.455 -4.914) 7.719 36.570 ( 2.823 -1.344 -7.810) 8.413 37.979 ( -1.437 -11.037 20.192) 23.057 38.389 ( 5.767 -17.749 -10.845) 21.585 ======================= Grid point 158 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 3.614 7.860 5.004) 9.994 1.042 ( -3.159 0.133 -1.253) 3.401 1.430 ( -3.236 14.535 15.430) 21.443 1.748 ( 10.044 17.478 4.736) 20.707 1.949 ( -3.561 8.455 -8.619) 12.588 2.248 ( -1.159 19.468 -19.583) 27.638 2.743 ( 0.874 13.247 17.650) 22.085 2.834 ( 2.459 -3.446 4.746) 6.360 3.075 ( 8.281 12.317 3.636) 15.281 3.157 ( -2.849 11.249 0.426) 11.612 3.241 ( -10.101 4.773 0.455) 11.181 3.379 ( -0.639 -11.552 -12.742) 17.211 3.503 ( 1.132 -3.697 3.810) 5.428 3.575 ( -1.594 -4.344 -0.050) 4.627 3.727 ( 3.170 1.982 0.507) 3.773 3.875 ( 5.903 3.652 -10.029) 12.197 4.199 ( 0.733 -0.924 11.967) 12.025 4.350 ( -5.226 -7.939 1.105) 9.568 4.395 ( 2.544 -6.475 -0.357) 6.967 4.406 ( -6.136 -11.028 -4.162) 13.289 4.746 ( 2.086 -2.168 6.750) 7.390 4.914 ( -0.837 -0.794 -5.704) 5.819 4.954 ( -6.429 0.547 5.291) 8.344 5.038 ( 2.024 -4.644 -0.192) 5.070 5.232 ( -3.895 -4.074 0.286) 5.644 5.281 ( -0.498 -3.801 -5.825) 6.974 5.553 ( -1.402 3.720 6.697) 7.788 5.707 ( 3.989 0.198 -6.401) 7.545 5.834 ( -0.603 3.416 3.793) 5.140 5.940 ( 4.529 2.883 -5.159) 7.446 6.241 ( 6.148 -9.642 6.094) 12.958 6.340 ( -6.661 -9.242 -3.615) 11.952 6.385 ( -4.583 -3.333 3.418) 6.618 6.489 ( 5.729 -4.194 -4.840) 8.593 6.756 ( 3.061 -1.149 5.048) 6.014 6.866 ( -1.580 2.813 -5.923) 6.744 7.309 ( -4.470 -7.610 2.563) 9.191 7.384 ( 3.548 -8.469 -3.094) 9.690 7.502 ( 1.468 1.142 3.253) 3.747 7.570 ( 0.044 -0.323 -1.767) 1.797 8.783 ( 0.015 -2.620 0.194) 2.627 8.801 ( 0.084 -3.200 -1.386) 3.488 9.104 ( -5.734 1.648 0.730) 6.011 9.109 ( 5.669 1.602 0.268) 5.898 9.337 ( -0.021 -1.447 2.799) 3.151 9.399 ( -0.046 -1.115 -3.138) 3.330 9.632 ( -1.826 -7.300 3.212) 8.182 9.705 ( 3.079 -6.184 -3.606) 7.793 10.198 ( -3.820 4.881 4.980) 7.951 10.280 ( 2.235 6.611 -2.952) 7.577 10.608 ( 1.268 2.043 6.282) 6.727 10.730 ( -0.304 3.177 -5.333) 6.215 11.101 ( -0.928 -3.953 1.835) 4.456 11.132 ( 0.494 -4.605 -0.934) 4.724 11.482 ( 1.347 -1.814 -1.140) 2.530 11.498 ( -1.659 -1.030 -2.652) 3.293 13.165 ( 2.743 -4.936 0.708) 5.691 13.181 ( -3.059 -5.124 -0.865) 6.030 13.304 ( 1.118 3.460 0.849) 3.734 13.324 ( -1.377 3.540 -1.124) 3.962 13.690 ( -4.182 -4.059 0.598) 5.859 13.699 ( 4.411 -2.777 -0.203) 5.217 13.880 ( 6.721 6.987 0.468) 9.706 13.888 ( -7.120 6.217 -0.331) 9.458 14.271 ( 5.943 7.238 2.514) 9.696 14.327 ( -5.805 6.541 -2.907) 9.216 14.952 ( 3.477 9.957 6.934) 12.622 15.096 ( -3.328 5.308 -6.439) 8.984 15.483 ( -0.632 8.330 3.132) 8.922 15.569 ( -0.247 5.403 -4.436) 6.996 15.690 ( 4.865 5.858 0.472) 7.630 15.733 ( -4.608 7.668 -3.749) 9.700 16.570 ( 1.859 0.943 0.260) 2.100 16.583 ( -0.629 0.994 -0.998) 1.543 16.701 ( 1.376 1.548 1.054) 2.324 16.718 ( -0.806 1.513 -0.449) 1.772 19.360 ( -4.897 -7.832 1.068) 9.298 19.392 ( 4.845 -6.937 -2.144) 8.729 20.243 ( -1.885 5.876 5.773) 8.451 20.388 ( 1.929 7.370 -8.437) 11.368 21.294 ( -3.688 -4.394 7.472) 9.421 21.445 ( 2.793 -3.420 -7.104) 8.364 23.233 ( -7.003 -3.089 7.362) 10.620 23.374 ( 5.301 -2.970 -6.107) 8.615 26.757 ( -1.184 0.121 0.193) 1.206 26.761 ( 1.271 0.187 -0.132) 1.292 29.416 ( 4.412 2.231 1.915) 5.302 29.435 ( -4.830 4.565 0.724) 6.685 29.758 ( 1.682 14.276 9.790) 17.392 30.120 ( -4.678 22.661 -26.085) 34.868 30.802 ( -0.477 2.026 0.851) 2.249 30.819 ( 0.528 1.271 -0.746) 1.566 31.252 ( -2.782 6.647 5.464) 9.043 31.391 ( 2.357 9.143 -7.961) 12.350 32.191 ( -1.613 0.825 0.969) 2.054 32.212 ( 1.029 1.862 -1.072) 2.382 32.492 ( 3.040 0.997 4.019) 5.137 32.589 ( -0.365 2.318 -5.943) 6.390 33.681 ( -1.469 -0.959 9.540) 9.700 33.875 ( 1.263 -2.270 -8.798) 9.173 35.621 ( 1.210 0.584 6.219) 6.363 35.750 ( -0.586 1.160 -5.865) 6.008 36.132 ( 7.888 2.815 8.459) 11.904 36.275 ( -4.836 3.980 -2.227) 6.647 36.428 ( -3.442 2.076 3.182) 5.126 36.580 ( 3.155 -0.698 -8.029) 8.655 38.245 ( -6.275 -23.065 23.137) 33.267 38.599 ( 4.750 -20.048 -12.313) 24.002 ======================= Grid point 159 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -2.368 12.436 -5.602) 13.843 0.984 ( 3.739 6.280 3.520) 8.112 1.536 ( 8.085 -3.069 19.376) 21.218 1.731 ( 1.490 3.298 -25.618) 25.872 1.847 ( 10.971 15.072 5.383) 19.404 2.090 ( 19.544 18.487 -3.386) 27.115 2.698 ( -3.015 12.108 1.783) 12.604 2.789 ( -9.876 8.877 -0.413) 13.285 2.956 ( 8.088 0.192 -4.252) 9.140 3.075 ( 5.848 17.323 9.719) 20.706 3.264 ( -0.400 -3.579 9.431) 10.096 3.357 ( -2.014 -5.612 -7.357) 9.470 3.553 ( 0.918 3.947 -2.158) 4.591 3.666 ( 7.824 -6.596 -0.726) 10.259 3.811 ( 5.850 -1.699 -3.955) 7.263 3.933 ( 7.406 -4.184 -8.419) 11.968 4.205 ( -7.279 1.990 1.041) 7.617 4.256 ( -9.387 -2.858 7.968) 12.640 4.369 ( -4.500 -6.591 -0.205) 7.983 4.556 ( 0.531 -8.484 4.579) 9.655 4.783 ( -2.869 -0.063 3.814) 4.773 4.884 ( 0.661 0.700 -6.449) 6.520 4.933 ( -2.751 -0.366 13.391) 13.676 5.047 ( -4.957 -4.564 -2.265) 7.109 5.134 ( -6.438 -1.406 1.439) 6.745 5.310 ( -3.210 0.609 1.987) 3.824 5.516 ( -5.780 4.312 4.700) 8.608 5.712 ( -4.129 2.674 -2.179) 5.381 5.773 ( 3.530 -2.815 -6.373) 7.810 5.922 ( 3.790 5.922 -6.429) 9.528 6.255 ( -11.157 -11.807 -5.326) 17.096 6.354 ( -3.423 -2.102 1.712) 4.366 6.457 ( -1.788 -8.252 6.558) 10.692 6.519 ( -2.141 -1.213 -4.816) 5.409 6.821 ( -1.590 -3.086 -3.255) 4.759 6.861 ( 5.239 -3.270 0.701) 6.215 7.349 ( -8.444 -6.612 5.490) 12.048 7.466 ( -6.969 -2.292 -3.548) 8.149 7.491 ( -0.524 -2.754 2.096) 3.500 7.570 ( 7.601 -6.440 -2.440) 10.257 8.778 ( -1.911 -4.495 -0.487) 4.908 8.894 ( 4.048 -2.566 -0.175) 4.797 9.070 ( 0.834 -3.219 -0.085) 3.326 9.265 ( 13.658 2.902 0.036) 13.963 9.359 ( 0.022 1.292 0.846) 1.545 9.378 ( 0.448 -0.615 -1.736) 1.896 9.662 ( -0.866 -3.901 0.756) 4.067 9.860 ( 7.461 -6.596 -2.351) 10.233 10.070 ( -7.342 3.756 2.498) 8.617 10.268 ( 1.846 3.817 0.461) 4.265 10.580 ( -7.721 4.022 3.223) 9.283 10.595 ( -4.505 4.206 -4.340) 7.538 11.171 ( 5.675 -2.950 1.003) 6.474 11.239 ( 5.556 -4.035 -0.204) 6.870 11.533 ( 5.092 -3.196 -0.119) 6.013 11.564 ( 6.188 -0.441 -0.054) 6.204 13.128 ( -8.569 -5.242 -0.559) 10.061 13.185 ( -5.560 -2.705 0.397) 6.196 13.287 ( 1.841 2.952 1.419) 3.757 13.330 ( 4.648 -2.024 -0.444) 5.089 13.615 ( -6.667 -2.419 -0.455) 7.107 13.660 ( -4.913 4.604 0.162) 6.735 13.819 ( 2.696 -0.265 0.132) 2.713 13.978 ( 1.816 0.941 0.204) 2.055 14.189 ( 7.619 8.789 -1.676) 11.752 14.337 ( 2.910 7.256 1.598) 7.980 14.746 ( -10.830 15.495 -2.381) 19.054 14.975 ( 3.709 16.070 1.062) 16.526 15.425 ( 1.212 6.636 2.790) 7.300 15.465 ( 0.973 8.085 -2.849) 8.628 15.667 ( 2.196 -0.780 -0.299) 2.350 15.745 ( 5.140 1.794 0.917) 5.521 16.521 ( -0.742 1.794 -0.608) 2.035 16.627 ( 2.330 1.142 -0.853) 2.731 16.705 ( 3.685 2.479 -2.348) 5.024 16.745 ( 3.691 -0.366 1.148) 3.883 19.338 ( -7.372 -7.444 0.675) 10.498 19.505 ( 0.814 -5.952 -0.911) 6.077 20.153 ( -3.974 5.560 3.441) 7.652 20.344 ( 5.026 5.739 -3.824) 8.534 21.327 ( -3.673 -3.854 7.782) 9.429 21.489 ( 3.012 -3.748 -5.614) 7.392 23.235 ( -3.179 -4.166 7.106) 8.829 23.440 ( 4.656 0.282 -4.721) 6.637 26.729 ( -1.697 -0.274 -0.008) 1.719 26.783 ( 1.334 0.534 -0.089) 1.440 29.132 ( -11.256 9.641 0.025) 14.820 29.570 ( -0.388 6.238 -1.338) 6.392 29.765 ( 20.375 16.654 10.978) 28.513 29.923 ( 19.105 12.053 -9.495) 24.504 30.757 ( -3.388 1.713 0.296) 3.808 30.809 ( 0.201 1.662 -0.402) 1.722 31.143 ( -7.589 3.179 1.937) 8.453 31.281 ( -0.631 8.221 -1.835) 8.447 32.185 ( 0.824 0.428 0.719) 1.175 32.216 ( 2.073 1.948 -0.204) 2.852 32.505 ( 0.231 0.561 -1.737) 1.840 32.600 ( 6.956 3.319 -3.416) 8.430 33.722 ( -2.379 -1.133 10.109) 10.446 33.859 ( 1.203 -1.683 -9.228) 9.457 35.673 ( 1.254 0.435 4.973) 5.147 35.686 ( -1.064 1.060 -5.734) 5.928 36.104 ( -4.949 5.160 -8.130) 10.826 36.262 ( 6.288 2.262 4.670) 8.153 36.413 ( -2.522 -0.262 7.609) 8.021 36.584 ( 3.191 0.134 -8.185) 8.786 38.442 ( -15.639 -23.436 17.121) 32.969 38.748 ( -2.739 -17.674 -10.884) 20.936 ======================= Grid point 163 (79/93) ======================= q-point: ( 0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 1.650 0.000 0.740) 1.809 1.123 ( -4.173 -0.000 -0.133) 4.175 1.805 ( -5.270 -0.000 -5.184) 7.392 2.230 ( 2.136 0.000 1.627) 2.685 2.527 ( -3.635 -0.000 0.074) 3.636 2.580 ( 15.389 0.000 6.297) 16.627 2.659 ( -10.427 -0.000 -4.918) 11.528 2.821 ( 10.821 0.000 -1.717) 10.956 3.035 ( 4.795 0.000 -0.220) 4.800 3.085 ( 3.612 0.000 -1.486) 3.905 3.314 ( 0.585 0.000 1.799) 1.891 3.397 ( 1.690 0.000 -6.366) 6.587 3.421 ( -4.017 -0.000 7.487) 8.496 3.693 ( -4.286 -0.000 10.195) 11.059 3.729 ( -9.285 -0.000 -3.237) 9.833 3.868 ( 0.604 0.000 -1.986) 2.076 4.017 ( -2.986 -0.000 10.630) 11.042 4.129 ( -0.550 -0.000 -10.138) 10.153 4.258 ( -3.443 -0.000 -0.946) 3.570 4.428 ( -0.704 -0.000 -1.671) 1.813 4.704 ( 1.417 0.000 1.530) 2.085 4.790 ( 2.180 0.000 4.826) 5.295 4.802 ( 1.875 0.000 1.494) 2.397 4.832 ( 4.612 0.000 -2.429) 5.212 5.235 ( -1.274 -0.000 -6.376) 6.502 5.431 ( 2.294 0.000 -4.270) 4.848 5.528 ( 7.616 0.000 11.695) 13.957 5.684 ( 2.377 0.000 3.143) 3.941 5.929 ( -4.447 -0.000 -4.528) 6.346 5.932 ( 5.633 0.000 4.063) 6.945 6.038 ( 8.803 0.000 -6.606) 11.007 6.074 ( -4.412 -0.000 -5.778) 7.270 6.268 ( -0.701 -0.000 -0.071) 0.705 6.283 ( -0.729 -0.000 4.548) 4.606 6.601 ( -2.745 -0.000 10.076) 10.444 7.074 ( 7.353 0.000 -2.047) 7.633 7.212 ( -0.871 -0.000 -8.941) 8.983 7.351 ( -2.460 -0.000 3.175) 4.016 7.477 ( -3.169 -0.000 0.080) 3.170 7.501 ( -0.531 -0.000 -1.711) 1.792 8.784 ( -1.460 -0.000 -2.417) 2.824 8.964 ( 3.087 0.000 -7.088) 7.731 8.969 ( -3.092 -0.000 -0.572) 3.144 9.263 ( -0.803 -0.000 4.697) 4.765 9.409 ( -12.618 -0.000 5.562) 13.790 9.427 ( -3.767 -0.000 -1.657) 4.115 9.608 ( -7.947 -0.000 1.479) 8.084 9.652 ( -6.144 -0.000 -1.815) 6.407 10.308 ( 7.746 0.000 4.813) 9.120 10.363 ( 13.026 0.000 -0.336) 13.031 10.471 ( 4.860 0.000 -5.259) 7.161 10.538 ( -1.964 -0.000 4.107) 4.552 11.267 ( -11.317 -0.000 1.658) 11.438 11.284 ( -10.268 -0.000 -2.455) 10.557 11.528 ( -6.068 -0.000 -2.055) 6.407 11.717 ( -7.141 -0.000 -1.795) 7.363 12.740 ( 11.112 0.000 -1.125) 11.169 12.894 ( 8.543 0.000 0.866) 8.587 13.257 ( 3.829 0.000 0.668) 3.887 13.386 ( 4.198 0.000 -1.037) 4.325 13.615 ( -0.135 -0.000 -1.541) 1.547 13.619 ( -2.559 -0.000 2.190) 3.368 13.955 ( 3.387 0.000 0.763) 3.471 13.993 ( -0.757 -0.000 -1.234) 1.447 14.469 ( -0.330 -0.000 -0.753) 0.822 14.552 ( 7.119 0.000 2.324) 7.489 15.040 ( -4.525 -0.000 2.425) 5.134 15.123 ( 7.511 0.000 -1.697) 7.700 15.568 ( 2.071 0.000 -2.819) 3.498 15.646 ( -3.780 -0.000 1.859) 4.212 15.867 ( 5.638 0.000 -2.670) 6.238 15.895 ( 2.980 0.000 3.225) 4.391 16.628 ( -3.144 -0.000 -0.441) 3.175 16.637 ( 0.720 0.000 0.627) 0.955 16.757 ( -2.093 -0.000 -1.317) 2.473 16.765 ( -1.894 -0.000 2.285) 2.967 19.162 ( 1.427 0.000 -5.141) 5.336 19.261 ( -2.018 -0.000 3.174) 3.761 20.309 ( 1.840 0.000 5.346) 5.654 20.547 ( 4.811 0.000 -6.309) 7.934 21.256 ( -5.473 -0.000 7.203) 9.046 21.422 ( 0.069 0.000 -7.754) 7.754 23.210 ( 2.910 0.000 -7.718) 8.248 23.360 ( -8.597 -0.000 7.869) 11.655 26.737 ( 0.938 0.000 -0.148) 0.950 26.779 ( -0.539 -0.000 0.363) 0.650 29.442 ( 3.445 0.000 2.631) 4.335 29.628 ( -8.947 -0.000 2.936) 9.417 29.921 ( -3.900 -0.000 2.655) 4.717 30.509 ( 14.290 0.000 -12.158) 18.762 30.833 ( 0.557 0.000 -0.533) 0.770 30.856 ( 0.158 0.000 0.332) 0.368 31.465 ( 15.811 0.000 -11.610) 19.616 31.650 ( -6.718 -0.000 5.475) 8.666 32.242 ( 1.389 0.000 4.583) 4.789 32.280 ( -0.824 -0.000 -2.842) 2.959 32.436 ( -5.111 -0.000 -4.652) 6.911 32.815 ( -2.545 -0.000 3.801) 4.575 33.651 ( -5.135 -0.000 5.721) 7.688 33.830 ( 3.415 0.000 -6.401) 7.255 35.501 ( 2.407 0.000 4.849) 5.413 35.827 ( 0.821 0.000 -3.394) 3.492 35.846 ( 2.751 0.000 12.450) 12.750 36.393 ( -5.747 -0.000 8.472) 10.237 36.550 ( 2.811 0.000 -9.300) 9.716 36.666 ( 0.916 0.000 -3.007) 3.143 37.943 ( 7.534 0.000 -16.029) 17.711 38.008 ( -9.929 -0.000 14.535) 17.602 ======================= Grid point 165 (80/93) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.891 0.845 -0.045) 1.229 1.047 ( -4.157 -0.423 0.341) 4.193 1.782 ( 7.435 2.451 -7.281) 10.691 2.120 ( -6.199 11.508 -7.117) 14.883 2.378 ( -1.436 7.412 6.365) 9.874 2.636 ( 0.921 1.862 5.582) 5.956 2.782 ( 2.398 -8.395 -9.904) 13.203 2.937 ( -1.840 -0.033 3.593) 4.037 3.076 ( 5.169 7.254 6.420) 10.979 3.141 ( 3.190 4.857 -8.165) 10.022 3.271 ( -0.087 9.258 4.164) 10.152 3.376 ( 9.951 -0.741 7.362) 12.400 3.535 ( -11.193 -9.103 3.687) 14.891 3.580 ( -0.535 -1.030 0.635) 1.323 3.711 ( -3.377 -0.815 6.084) 7.006 3.900 ( -2.943 -14.877 0.099) 15.165 4.038 ( 0.606 0.358 -0.023) 0.704 4.047 ( 0.495 0.425 -5.855) 5.892 4.304 ( 2.862 -1.084 0.996) 3.219 4.418 ( 4.657 5.279 0.781) 7.083 4.668 ( 1.398 8.325 1.118) 8.515 4.835 ( 0.418 -3.713 3.589) 5.181 4.859 ( 0.088 -1.693 2.218) 2.792 4.965 ( 4.767 -9.631 -2.841) 11.115 5.087 ( -6.482 -0.848 -12.554) 14.154 5.332 ( -12.487 -1.415 0.940) 12.602 5.692 ( 6.697 3.020 4.260) 8.492 5.739 ( 2.517 1.172 2.100) 3.481 5.856 ( -0.500 3.375 0.364) 3.431 5.952 ( -1.146 2.552 -4.176) 5.026 6.062 ( 3.561 -2.572 2.864) 5.244 6.158 ( 4.851 -3.137 -3.184) 6.596 6.267 ( -0.083 -4.232 0.139) 4.235 6.305 ( -0.639 -2.040 2.761) 3.492 6.665 ( 2.752 0.322 8.496) 8.936 7.070 ( -2.230 0.933 -9.388) 9.694 7.184 ( 2.788 -0.311 -3.998) 4.884 7.294 ( -8.035 -3.407 1.449) 8.847 7.506 ( 5.426 1.666 0.820) 5.735 7.521 ( 4.781 2.132 -0.046) 5.235 8.752 ( 0.749 1.298 -1.892) 2.414 8.877 ( -5.394 1.527 -1.572) 5.822 9.027 ( 6.729 -1.410 -3.568) 7.746 9.250 ( -3.881 -1.663 1.888) 4.626 9.314 ( -5.774 0.266 2.865) 6.451 9.363 ( -4.871 -3.577 -1.992) 6.363 9.464 ( -7.517 0.302 4.739) 8.892 9.598 ( -2.061 -3.261 -2.007) 4.348 10.386 ( 2.360 7.560 3.614) 8.705 10.471 ( 5.795 6.831 -2.061) 9.192 10.529 ( -1.023 -4.252 5.508) 7.033 10.617 ( 8.726 -5.989 -3.264) 11.075 11.101 ( -9.833 -0.508 1.584) 9.973 11.127 ( -6.594 -0.012 -2.600) 7.088 11.450 ( -2.384 -0.950 -1.861) 3.170 11.582 ( -7.585 -0.353 -2.436) 7.974 12.934 ( 10.774 -1.856 -0.394) 10.939 13.040 ( 5.770 -2.191 0.449) 6.188 13.333 ( 5.210 1.504 0.905) 5.498 13.456 ( 4.106 0.161 -1.445) 4.356 13.547 ( -0.969 2.772 0.149) 2.940 13.630 ( -2.890 -4.406 0.256) 5.275 13.961 ( 1.859 3.277 -0.677) 3.828 14.020 ( 1.897 -0.263 0.589) 2.004 14.422 ( -2.227 2.513 -0.266) 3.369 14.616 ( -2.873 2.833 1.026) 4.164 14.970 ( 0.309 1.248 2.381) 2.706 15.181 ( 1.300 0.950 -1.888) 2.481 15.579 ( -0.732 1.116 0.526) 1.435 15.612 ( -0.636 -1.812 -0.829) 2.092 15.891 ( 4.012 7.801 1.360) 8.877 15.976 ( 3.289 -0.068 -0.801) 3.385 16.575 ( -1.659 1.492 0.026) 2.232 16.631 ( -2.045 -0.717 -0.711) 2.281 16.740 ( -0.006 -0.201 0.412) 0.458 16.753 ( -0.564 0.972 1.207) 1.650 19.185 ( 4.363 -1.304 -4.218) 6.207 19.248 ( -3.542 -3.083 2.015) 5.110 20.352 ( 0.798 2.608 6.029) 6.617 20.565 ( 3.434 1.931 -7.749) 8.693 21.224 ( -4.735 -1.233 7.356) 8.835 21.388 ( 1.424 -0.936 -8.168) 8.344 23.234 ( 3.888 -1.332 -5.794) 7.103 23.262 ( -9.180 -1.755 6.292) 11.267 26.747 ( 1.188 0.770 -0.057) 1.417 26.775 ( -0.816 -0.571 0.256) 1.029 29.432 ( 1.419 5.674 1.226) 5.976 29.543 ( -7.890 -3.900 1.633) 8.951 29.945 ( 1.804 2.286 10.415) 10.815 30.592 ( 6.633 0.776 -20.492) 21.552 30.838 ( 0.599 0.530 -0.224) 0.831 30.853 ( -0.157 0.622 0.209) 0.674 31.532 ( -6.217 5.761 4.179) 9.450 31.588 ( 9.751 3.496 -11.809) 15.708 32.253 ( 0.406 0.823 -2.520) 2.682 32.267 ( -3.018 0.527 0.599) 3.122 32.392 ( 2.321 -1.024 3.910) 4.661 32.733 ( -6.773 0.645 -2.217) 7.156 33.635 ( -2.057 -0.169 7.240) 7.528 33.840 ( 2.136 -1.057 -6.793) 7.199 35.571 ( 1.796 0.150 6.316) 6.568 35.810 ( 0.495 0.326 -5.107) 5.141 36.005 ( 6.157 1.123 16.354) 17.511 36.354 ( -5.129 0.056 7.663) 9.221 36.543 ( 2.754 -0.789 -8.587) 9.052 36.621 ( -1.708 2.377 -5.268) 6.027 37.898 ( -5.026 2.300 10.250) 11.645 38.076 ( 4.700 -12.165 -9.422) 16.089 ======================= Grid point 166 (81/93) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.257 -0.617 0.900) 1.665 1.033 ( 1.965 0.345 0.052) 1.996 1.751 ( -3.767 14.562 1.912) 15.162 1.939 ( 8.187 5.099 -15.073) 17.895 2.302 ( -2.528 19.570 15.003) 24.788 2.581 ( -2.700 9.008 -7.957) 12.318 2.765 ( 3.962 0.767 0.236) 4.042 2.847 ( -2.701 -1.633 -3.372) 4.619 3.168 ( -0.463 -4.280 6.133) 7.493 3.231 ( 2.617 3.121 1.652) 4.395 3.314 ( 3.288 -2.115 1.098) 4.061 3.321 ( -2.545 0.400 0.702) 2.670 3.509 ( -2.910 6.452 1.415) 7.218 3.555 ( 3.809 4.939 -2.363) 6.670 3.753 ( 0.408 -1.171 9.042) 9.127 3.988 ( -0.323 0.597 -9.309) 9.334 4.036 ( -5.112 -14.313 7.689) 17.033 4.094 ( 2.098 -7.943 -0.533) 8.233 4.329 ( 0.958 2.596 1.851) 3.329 4.404 ( -0.410 7.052 -3.197) 7.753 4.700 ( 3.792 -1.476 6.643) 7.790 4.843 ( -5.953 -5.847 -4.828) 9.640 4.892 ( -2.843 -4.207 4.201) 6.590 4.970 ( 1.905 -2.437 -5.944) 6.701 5.133 ( -11.379 -4.992 2.498) 12.674 5.174 ( 5.125 -6.697 -1.101) 8.505 5.694 ( 0.303 8.170 1.836) 8.379 5.751 ( 2.745 3.626 -2.416) 5.150 5.864 ( 0.670 0.181 2.920) 3.002 5.947 ( 2.350 -1.570 -4.519) 5.330 6.126 ( -1.118 -2.490 5.126) 5.807 6.186 ( -3.292 -4.700 -1.311) 5.886 6.315 ( -1.858 -3.499 1.648) 4.291 6.388 ( 6.336 -5.682 -3.890) 9.358 6.764 ( 3.355 0.510 8.046) 8.732 6.939 ( -3.529 3.065 -8.544) 9.739 7.205 ( -5.578 -3.458 0.382) 6.574 7.255 ( 6.216 -3.568 -3.911) 8.165 7.544 ( 0.606 2.553 1.393) 2.971 7.575 ( 1.189 0.816 -0.972) 1.739 8.773 ( -3.714 1.079 -0.804) 3.950 8.775 ( 3.531 0.398 -1.023) 3.697 9.124 ( -7.575 1.339 1.114) 7.772 9.153 ( 6.965 1.883 -1.303) 7.332 9.278 ( 0.178 -4.001 2.653) 4.804 9.334 ( -1.411 -4.925 -2.611) 5.750 9.506 ( 0.744 -4.529 4.892) 6.708 9.602 ( 1.469 -3.410 -4.005) 5.462 10.324 ( -4.045 7.025 5.759) 9.944 10.427 ( 2.681 7.498 -4.016) 8.918 10.610 ( -0.757 -2.094 6.511) 6.881 10.735 ( 1.894 -3.080 -5.280) 6.400 11.028 ( -1.521 -2.591 1.923) 3.567 11.067 ( 0.849 -1.246 -1.801) 2.349 11.457 ( 2.948 -0.700 -0.822) 3.140 11.479 ( -2.674 -0.822 -2.860) 4.001 13.078 ( 3.400 -3.290 0.601) 4.769 13.089 ( -3.517 -3.563 -0.424) 5.024 13.380 ( 1.999 3.885 1.036) 4.490 13.403 ( -2.241 4.167 -1.140) 4.867 13.603 ( -3.872 -4.431 1.142) 5.994 13.630 ( 4.115 -3.750 -1.304) 5.718 13.983 ( 0.311 3.192 0.229) 3.216 13.986 ( -0.690 3.277 -0.024) 3.349 14.417 ( 7.261 6.112 1.721) 9.646 14.452 ( -7.345 5.105 -1.780) 9.120 15.045 ( 4.099 1.563 4.598) 6.355 15.129 ( -4.550 0.122 -3.268) 5.603 15.566 ( -0.764 0.143 2.249) 2.380 15.613 ( 0.874 0.969 -2.176) 2.537 15.851 ( -1.364 8.560 3.980) 9.538 15.948 ( 1.583 8.809 -5.285) 10.394 16.575 ( 2.546 0.030 0.673) 2.634 16.594 ( -1.867 0.004 -1.243) 2.243 16.736 ( -0.180 1.670 0.781) 1.852 16.747 ( 0.844 1.110 -0.120) 1.400 19.225 ( -5.004 -4.979 1.666) 7.253 19.276 ( 5.092 -4.195 -3.292) 7.374 20.354 ( -1.239 4.532 6.700) 8.183 20.516 ( 1.648 4.831 -8.769) 10.146 21.224 ( -3.411 -2.473 7.724) 8.798 21.388 ( 2.860 -2.104 -7.918) 8.678 23.172 ( -8.425 -2.587 7.552) 11.606 23.315 ( 6.969 -2.537 -6.103) 9.605 26.760 ( -1.005 0.143 0.236) 1.042 26.764 ( 1.065 0.142 -0.141) 1.083 29.441 ( -1.715 0.649 2.325) 2.961 29.479 ( 1.674 0.823 -0.811) 2.034 30.002 ( 1.659 8.395 15.471) 17.679 30.422 ( -3.210 8.289 -24.411) 25.979 30.839 ( -0.464 1.383 0.067) 1.461 30.841 ( 0.588 0.836 -0.186) 1.039 31.397 ( -6.710 6.601 6.929) 11.688 31.581 ( 5.504 8.064 -11.017) 14.720 32.207 ( -2.976 0.802 1.852) 3.596 32.245 ( 1.538 1.237 -1.746) 2.635 32.509 ( 5.852 0.622 4.515) 7.418 32.610 ( -3.281 -0.277 -5.624) 6.517 33.665 ( -1.086 -0.498 8.194) 8.281 33.835 ( 1.252 -1.551 -7.733) 7.986 35.631 ( 1.132 0.415 6.662) 6.770 35.771 ( -0.153 0.847 -6.526) 6.583 36.190 ( 6.931 2.661 12.928) 14.908 36.322 ( -4.070 0.679 5.194) 6.634 36.490 ( -3.475 3.444 -6.060) 7.789 36.564 ( 2.878 -0.868 -7.567) 8.142 37.910 ( -9.336 -9.902 18.276) 22.787 38.240 ( 7.364 -14.189 -13.262) 20.771 ======================= Grid point 167 (82/93) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -1.225 1.609 -1.010) 2.261 1.067 ( 1.883 1.566 1.370) 2.806 1.603 ( 1.624 8.269 7.231) 11.104 1.866 ( 1.437 9.892 -15.105) 18.113 2.191 ( 5.916 17.132 6.420) 19.228 2.467 ( 11.875 15.942 -4.472) 20.375 2.784 ( -3.959 0.209 3.154) 5.066 2.903 ( 5.858 -2.932 4.149) 7.754 2.963 ( -16.455 5.241 -3.935) 17.712 3.217 ( -1.329 -0.544 -5.382) 5.570 3.257 ( -0.653 -2.526 -1.259) 2.897 3.472 ( 0.699 -7.459 3.241) 8.163 3.521 ( 3.175 16.956 3.048) 17.518 3.631 ( 13.852 2.958 4.736) 14.935 3.779 ( 4.709 -1.605 -1.536) 5.207 3.936 ( 0.990 -0.382 -8.629) 8.694 4.100 ( -6.029 -6.570 1.742) 9.085 4.213 ( -8.114 -9.217 3.290) 12.712 4.217 ( -4.799 -1.709 3.985) 6.467 4.402 ( 3.940 -3.194 -0.109) 5.073 4.729 ( -5.880 -3.841 -5.377) 8.845 4.869 ( 3.233 -2.140 6.199) 7.312 4.905 ( -3.442 -4.374 6.755) 8.753 4.960 ( -4.480 -1.730 0.116) 4.803 5.065 ( -3.416 -5.810 1.980) 7.025 5.326 ( 2.449 -2.188 2.193) 3.949 5.614 ( -2.094 8.190 3.778) 9.259 5.752 ( 5.339 2.910 -8.371) 10.347 5.809 ( -7.890 3.791 2.507) 9.105 5.962 ( 0.997 -3.528 -7.168) 8.051 6.095 ( -6.249 -2.230 -0.182) 6.638 6.217 ( -4.356 -9.049 4.379) 10.956 6.339 ( 0.631 -2.851 0.718) 3.007 6.473 ( 0.261 -3.574 -4.914) 6.082 6.820 ( -0.594 1.619 -5.959) 6.203 6.860 ( 3.058 0.879 5.742) 6.565 7.209 ( -0.958 -5.633 1.212) 5.841 7.412 ( 7.772 -3.905 -2.155) 8.961 7.486 ( -4.242 0.415 -0.473) 4.289 7.500 ( -5.682 1.422 -1.621) 6.078 8.722 ( -0.616 -0.801 -0.419) 1.094 8.858 ( 6.242 -0.492 -0.651) 6.295 9.012 ( -5.113 -2.502 1.542) 5.897 9.313 ( 6.561 -2.075 0.230) 6.885 9.328 ( 7.494 1.235 0.413) 7.607 9.382 ( 0.640 -0.634 -1.406) 1.669 9.566 ( 2.613 -4.812 0.787) 5.532 9.707 ( 5.461 -7.377 -2.019) 9.398 10.196 ( -5.869 7.591 3.889) 10.353 10.368 ( 0.145 5.888 -1.704) 6.131 10.599 ( -6.776 -1.211 4.712) 8.342 10.682 ( -3.821 2.047 -5.453) 6.966 11.110 ( 6.486 -2.570 1.281) 7.093 11.156 ( 6.819 -3.081 -0.340) 7.491 11.481 ( 4.009 -1.979 -1.530) 4.726 11.558 ( 7.601 -0.347 0.173) 7.611 13.011 ( -10.399 -5.294 -0.637) 11.687 13.108 ( -5.103 -4.450 0.746) 6.812 13.308 ( -1.288 1.698 -0.233) 2.144 13.386 ( 1.057 3.948 0.745) 4.155 13.545 ( -6.782 -2.929 0.469) 7.402 13.722 ( 1.294 -1.670 -0.673) 2.217 13.859 ( -1.696 5.126 -0.103) 5.401 14.008 ( -0.293 1.524 0.195) 1.564 14.344 ( 3.401 6.192 -1.562) 7.235 14.492 ( 6.090 7.753 1.833) 10.028 14.959 ( -9.856 6.090 -1.446) 11.676 15.108 ( 1.338 1.033 1.908) 2.549 15.566 ( -0.219 1.117 1.388) 1.795 15.597 ( 1.384 5.422 0.152) 5.598 15.721 ( -2.722 6.311 -2.230) 7.226 15.864 ( 2.710 9.820 0.192) 10.189 16.558 ( -0.155 1.709 -1.400) 2.215 16.637 ( 3.342 -0.368 0.019) 3.362 16.736 ( 0.842 0.160 0.716) 1.117 16.754 ( 3.190 1.673 -1.698) 3.982 19.200 ( -5.659 -5.741 1.134) 8.140 19.382 ( 2.954 -5.633 -1.802) 6.611 20.285 ( -4.364 6.877 4.135) 9.134 20.452 ( 2.751 4.520 -5.319) 7.503 21.256 ( -2.441 -2.931 8.014) 8.875 21.421 ( 3.751 -2.869 -6.864) 8.332 23.148 ( -4.315 -4.086 7.202) 9.337 23.422 ( 7.222 -1.771 -4.601) 8.745 26.732 ( -1.719 0.518 0.060) 1.796 26.787 ( 1.362 -0.161 -0.133) 1.378 29.309 ( -8.622 7.438 0.377) 11.393 29.601 ( 9.033 -0.606 0.166) 9.055 30.055 ( 5.071 9.876 18.515) 21.589 30.152 ( 2.544 8.583 -19.098) 21.092 30.805 ( -1.544 2.382 0.216) 2.847 30.838 ( 0.288 1.230 -0.348) 1.310 31.249 ( -8.937 6.723 5.574) 12.496 31.485 ( 1.748 10.996 -5.549) 12.440 32.189 ( -0.307 0.079 1.984) 2.009 32.254 ( 2.221 1.646 -0.533) 2.815 32.507 ( -1.753 -0.439 -3.086) 3.576 32.665 ( 9.335 2.762 -1.692) 9.881 33.700 ( -2.027 -0.897 8.541) 8.824 33.822 ( 1.505 -1.721 -8.152) 8.466 35.683 ( 0.977 0.497 5.742) 5.846 35.708 ( -1.034 1.078 -6.959) 7.118 36.218 ( -4.081 5.440 -8.877) 11.182 36.310 ( 3.121 2.431 7.986) 8.912 36.416 ( -1.567 0.615 5.414) 5.670 36.580 ( 3.502 -0.605 -7.367) 8.179 37.999 ( -12.941 -18.670 18.107) 29.050 38.408 ( 4.492 -14.414 -12.162) 19.387 ======================= Grid point 168 (83/93) ======================= q-point: (-0.12 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.450 5.851 -3.236) 6.702 1.056 ( -0.925 2.196 1.096) 2.623 1.624 ( 0.265 1.583 -7.849) 8.012 1.785 ( 8.421 6.879 3.579) 11.448 2.222 ( 18.793 13.571 -6.949) 24.200 2.553 ( 1.915 13.674 -0.745) 13.828 2.634 ( 2.121 4.520 -1.007) 5.093 2.781 ( 2.310 2.055 2.857) 4.210 3.071 ( 6.205 -1.946 3.094) 7.201 3.192 ( -6.474 -6.275 -6.741) 11.258 3.243 ( -0.264 -6.478 1.439) 6.641 3.407 ( 1.367 12.488 8.236) 15.022 3.580 ( 2.459 1.122 -6.141) 6.709 3.725 ( 2.174 -4.923 5.455) 7.663 3.891 ( 2.135 -0.311 -9.347) 9.592 3.907 ( -3.462 0.889 4.767) 5.958 4.074 ( -6.193 -4.672 0.534) 7.776 4.111 ( 7.365 -2.469 -9.176) 12.022 4.324 ( -3.600 -5.772 13.626) 15.230 4.526 ( 3.730 -5.868 2.235) 7.304 4.609 ( -7.372 -2.858 -5.228) 9.479 4.909 ( -2.838 0.568 5.380) 6.109 4.921 ( -1.929 -3.482 -2.254) 4.575 5.020 ( 3.411 0.157 11.240) 11.748 5.053 ( -6.155 -2.182 3.206) 7.274 5.289 ( -5.944 4.510 1.886) 7.696 5.459 ( -11.963 9.407 2.761) 15.467 5.640 ( -2.832 -1.229 -1.163) 3.299 5.773 ( 1.214 0.833 -7.508) 7.651 5.939 ( -3.884 -4.368 -7.566) 9.561 6.033 ( 1.616 3.391 -0.946) 3.874 6.256 ( -4.233 -8.353 3.640) 10.046 6.360 ( -5.053 -3.807 0.250) 6.332 6.421 ( -4.076 -0.770 -2.542) 4.865 6.771 ( 0.256 1.143 -6.146) 6.256 6.953 ( 2.854 -0.540 5.881) 6.559 7.155 ( -10.954 -0.119 1.382) 11.042 7.358 ( -2.517 -0.081 -4.009) 4.735 7.473 ( 2.239 -4.765 0.181) 5.268 7.646 ( 9.654 -5.721 -0.351) 11.227 8.746 ( 1.660 -1.076 -0.766) 2.121 8.951 ( 1.326 0.528 1.069) 1.783 9.017 ( 1.305 -6.615 1.420) 6.891 9.320 ( -2.371 1.070 -3.900) 4.688 9.419 ( 6.041 -1.701 1.255) 6.400 9.507 ( 12.494 -0.072 -1.242) 12.556 9.673 ( 2.795 -1.068 1.084) 3.182 9.879 ( 7.341 -8.572 -1.972) 11.456 10.050 ( -4.928 7.067 2.362) 8.933 10.277 ( -4.889 2.587 -1.868) 5.838 10.461 ( -12.767 3.270 2.513) 13.416 10.566 ( -1.029 4.595 -3.044) 5.607 11.282 ( 9.797 -2.466 1.204) 10.174 11.304 ( 7.626 -2.584 0.017) 8.051 11.589 ( 5.129 -2.636 0.270) 5.773 11.689 ( 7.700 0.081 0.935) 7.757 12.876 ( -14.161 -6.811 -0.120) 15.714 13.068 ( -3.661 -4.428 0.401) 5.759 13.362 ( 4.637 -1.759 1.250) 5.115 13.369 ( 2.232 -1.918 -0.517) 2.988 13.464 ( -6.122 -1.261 0.169) 6.253 13.693 ( 0.648 4.704 -0.312) 4.759 13.827 ( -1.010 0.329 -1.647) 1.960 13.987 ( 0.736 1.767 1.137) 2.226 14.336 ( -0.609 7.035 -1.341) 7.187 14.440 ( -2.682 7.690 1.473) 8.276 14.665 ( -11.405 9.586 -1.498) 14.974 15.129 ( 3.894 4.575 -0.089) 6.008 15.540 ( 0.535 5.723 1.483) 5.936 15.570 ( 3.989 6.302 -0.072) 7.459 15.695 ( 2.303 -1.231 -0.056) 2.612 15.835 ( 1.054 3.488 1.119) 3.812 16.546 ( 2.239 2.161 -0.964) 3.258 16.673 ( 1.934 1.091 -0.112) 2.223 16.758 ( 1.500 -0.378 0.155) 1.555 16.805 ( 4.675 -0.268 -2.067) 5.119 19.184 ( -3.974 -5.045 1.428) 6.579 19.439 ( -1.221 -4.369 -1.259) 4.708 20.170 ( -3.220 5.692 2.154) 6.886 20.440 ( 2.950 3.250 -1.804) 4.746 21.296 ( -2.318 -2.435 8.095) 8.766 21.473 ( 3.638 -2.946 -5.746) 7.411 23.197 ( -1.117 -4.865 6.571) 8.252 23.498 ( 4.284 1.087 -3.539) 5.661 26.703 ( -1.347 0.120 -0.087) 1.355 26.805 ( 0.944 0.182 -0.122) 0.969 29.083 ( -6.836 8.449 0.361) 10.874 29.663 ( 3.431 7.797 -1.087) 8.588 30.180 ( 16.014 -4.294 -9.037) 18.882 30.272 ( 12.223 3.058 19.694) 23.380 30.726 ( -4.037 5.911 -0.059) 7.158 30.822 ( -0.250 1.555 -0.306) 1.605 31.061 ( -8.651 4.920 2.207) 10.194 31.366 ( 0.190 11.216 0.103) 11.218 32.211 ( 1.094 -0.066 2.006) 2.286 32.269 ( 1.719 1.889 0.254) 2.567 32.492 ( 1.231 -1.445 -3.369) 3.867 32.744 ( 7.621 5.397 -4.449) 10.344 33.727 ( -2.345 -1.327 8.384) 8.806 33.817 ( 1.914 -1.063 -7.283) 7.605 35.618 ( -2.892 0.942 -6.991) 7.624 35.737 ( 1.643 0.238 4.626) 4.915 36.030 ( -3.135 5.354 -12.494) 13.949 36.358 ( -1.738 -0.475 9.218) 9.393 36.446 ( 2.245 1.897 3.403) 4.497 36.596 ( 3.944 0.255 -6.983) 8.024 38.060 ( -15.807 -18.945 12.892) 27.838 38.493 ( -1.406 -10.130 -10.205) 14.448 ======================= Grid point 173 (84/93) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.317 -0.000 -0.087) 0.328 1.031 ( 1.065 -0.000 -1.550) 1.881 1.932 ( 11.901 -0.000 -5.122) 12.957 1.984 ( -9.072 0.000 -10.073) 13.556 2.494 ( 1.825 -0.000 10.196) 10.358 2.694 ( -4.511 -0.000 -8.516) 9.637 2.751 ( 5.494 0.000 7.786) 9.529 2.835 ( -7.736 -0.000 -0.132) 7.737 3.204 ( -11.405 0.000 2.483) 11.672 3.210 ( 2.535 -0.000 4.639) 5.286 3.254 ( 9.264 -0.000 1.313) 9.357 3.310 ( 2.088 -0.000 -7.406) 7.695 3.667 ( -2.558 -0.000 6.896) 7.355 3.671 ( 8.873 0.000 5.575) 10.479 3.685 ( 5.740 -0.000 1.607) 5.960 3.715 ( -9.994 -0.000 -1.532) 10.111 4.016 ( -6.458 -0.000 -0.974) 6.531 4.039 ( 5.207 -0.000 -2.543) 5.794 4.410 ( 6.498 -0.000 4.942) 8.164 4.493 ( 0.123 -0.000 -1.083) 1.090 4.721 ( -11.889 0.000 0.459) 11.898 4.734 ( 1.225 -0.000 0.730) 1.427 4.859 ( 0.211 -0.000 1.651) 1.664 4.938 ( 1.501 -0.000 -6.812) 6.976 5.066 ( -17.961 -0.000 1.342) 18.011 5.078 ( 11.749 0.000 -0.181) 11.751 5.795 ( 2.538 -0.000 0.007) 2.538 5.796 ( 1.225 0.000 0.872) 1.504 5.889 ( -2.588 -0.000 -1.180) 2.844 5.898 ( 2.792 0.000 -0.186) 2.798 6.108 ( -1.414 -0.000 4.936) 5.135 6.141 ( -3.550 -0.000 1.095) 3.715 6.289 ( 0.912 -0.000 -2.213) 2.393 6.300 ( 5.978 0.000 -2.552) 6.500 6.767 ( 2.660 -0.000 9.007) 9.392 6.971 ( -2.927 -0.000 -10.218) 10.629 7.163 ( -6.324 -0.000 1.564) 6.514 7.228 ( 6.688 -0.000 -4.489) 8.054 7.577 ( 0.997 -0.000 0.345) 1.055 7.587 ( 0.913 -0.000 -0.772) 1.196 8.786 ( 3.685 -0.000 -0.703) 3.752 8.793 ( -4.339 -0.000 -1.374) 4.551 9.160 ( -12.825 0.000 -0.276) 12.828 9.172 ( 12.080 0.000 -1.083) 12.128 9.216 ( 0.577 -0.000 2.460) 2.527 9.260 ( -1.572 -0.000 -1.936) 2.494 9.461 ( 0.923 -0.000 6.183) 6.252 9.570 ( 1.336 -0.000 -4.266) 4.470 10.433 ( -6.005 -0.000 5.726) 8.298 10.512 ( 2.279 -0.000 1.358) 2.653 10.585 ( 1.841 -0.000 -0.304) 1.866 10.654 ( 1.648 0.000 -3.734) 4.081 11.004 ( -1.802 -0.000 2.517) 3.095 11.062 ( 1.303 -0.000 -3.000) 3.271 11.451 ( 3.968 -0.000 -0.874) 4.063 11.469 ( -3.550 -0.000 -2.646) 4.427 13.043 ( 3.391 -0.000 0.514) 3.430 13.051 ( -3.502 -0.000 -0.221) 3.509 13.433 ( 2.843 -0.000 1.531) 3.229 13.470 ( -3.368 0.000 -2.035) 3.936 13.533 ( -2.821 -0.000 2.108) 3.522 13.578 ( 3.332 -0.000 -2.052) 3.913 14.014 ( -3.600 -0.000 0.316) 3.614 14.019 ( 3.304 -0.000 -0.045) 3.304 14.483 ( 8.248 -0.000 1.177) 8.332 14.507 ( -8.344 -0.000 -1.242) 8.436 15.059 ( 5.058 -0.000 4.033) 6.469 15.129 ( -5.796 -0.000 -2.639) 6.369 15.562 ( -1.852 -0.000 2.421) 3.048 15.619 ( 2.365 -0.000 -3.053) 3.862 15.946 ( -3.817 -0.000 4.757) 6.099 16.038 ( 4.156 -0.000 -4.037) 5.794 16.577 ( 1.187 -0.000 0.306) 1.226 16.592 ( -1.037 -0.000 -1.163) 1.558 16.755 ( 1.039 -0.000 0.594) 1.197 16.758 ( -0.405 -0.000 0.278) 0.491 19.173 ( -5.013 -0.000 2.005) 5.399 19.232 ( 5.180 -0.000 -3.738) 6.388 20.403 ( -1.039 -0.000 6.944) 7.022 20.567 ( 1.517 -0.000 -8.610) 8.743 21.199 ( -3.321 -0.000 7.784) 8.463 21.366 ( 2.853 -0.000 -8.184) 8.667 23.143 ( -8.745 -0.000 7.578) 11.571 23.287 ( 7.440 -0.000 -6.099) 9.620 26.762 ( -0.737 -0.000 0.242) 0.776 26.766 ( 0.782 -0.000 -0.127) 0.792 29.447 ( -2.610 -0.000 2.328) 3.497 29.486 ( 2.575 -0.000 -0.921) 2.735 30.085 ( 2.023 -0.000 16.267) 16.393 30.499 ( -2.763 -0.000 -22.689) 22.856 30.850 ( 0.574 -0.000 0.073) 0.579 30.853 ( -0.357 -0.000 -0.287) 0.459 31.472 ( -8.148 -0.000 7.396) 11.004 31.667 ( 6.485 -0.000 -11.605) 13.294 32.218 ( -3.373 -0.000 1.855) 3.850 32.258 ( 1.457 -0.000 -1.869) 2.370 32.516 ( 9.301 -0.000 3.946) 10.103 32.599 ( -6.674 -0.000 -4.284) 7.931 33.661 ( -0.884 -0.000 7.561) 7.612 33.818 ( 1.270 -0.000 -7.270) 7.380 35.636 ( 1.108 -0.000 6.827) 6.917 35.780 ( 0.072 -0.000 -6.878) 6.878 36.222 ( 6.791 -0.000 15.626) 17.038 36.323 ( -4.312 -0.000 6.742) 8.002 36.539 ( 3.437 -0.000 -7.288) 8.057 36.545 ( -3.959 0.000 -8.345) 9.237 37.821 ( -12.571 -0.000 12.907) 18.017 38.084 ( 10.482 -0.000 -11.675) 15.690 ======================= Grid point 175 (85/93) ======================= q-point: (-0.38 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.726 1.132 -0.745) 2.194 1.067 ( 3.330 -0.869 -0.964) 3.574 1.775 ( -3.174 6.469 -6.592) 9.766 2.047 ( 6.521 5.709 -1.895) 8.872 2.466 ( -4.724 8.383 1.827) 9.795 2.579 ( -0.451 -2.786 4.837) 5.600 2.776 ( -0.239 0.424 -4.268) 4.296 2.896 ( 2.346 -0.609 8.877) 9.202 3.052 ( -5.328 3.543 -3.502) 7.294 3.143 ( -7.944 -2.093 -0.552) 8.234 3.346 ( 6.834 9.443 -0.935) 11.694 3.429 ( -8.897 3.228 -0.666) 9.488 3.583 ( 13.861 -8.176 -0.706) 16.108 3.707 ( 6.007 1.516 1.670) 6.417 3.770 ( -6.382 2.111 0.820) 6.772 3.798 ( -1.009 -8.017 1.719) 8.261 3.905 ( -3.438 -12.908 -1.918) 13.495 4.120 ( 5.240 2.701 1.425) 6.065 4.347 ( -8.828 5.291 -4.183) 11.110 4.447 ( 0.340 7.926 -0.157) 7.935 4.661 ( -2.634 -2.766 -0.524) 3.856 4.826 ( 2.317 -2.858 7.817) 8.639 4.835 ( -2.146 -1.486 6.378) 6.891 4.905 ( -4.921 -3.661 1.248) 6.259 4.933 ( -0.180 -4.300 -3.273) 5.407 5.267 ( 4.563 -2.233 5.366) 7.390 5.750 ( -3.259 3.002 0.896) 4.520 5.818 ( 4.202 2.447 -6.093) 7.796 5.874 ( -0.680 -0.192 1.528) 1.684 5.916 ( -1.000 3.464 -1.373) 3.858 6.069 ( -4.549 -1.672 1.326) 5.025 6.092 ( -4.874 -3.399 0.916) 6.012 6.299 ( 1.772 -0.162 -2.215) 2.841 6.383 ( 2.445 -4.497 -3.484) 6.192 6.859 ( 0.739 0.544 3.304) 3.429 6.861 ( -0.863 0.647 -3.006) 3.193 7.131 ( -0.373 -2.145 1.168) 2.470 7.341 ( 8.630 -2.229 -3.025) 9.412 7.529 ( -4.080 2.209 -0.793) 4.706 7.537 ( -5.257 1.321 -1.914) 5.749 8.736 ( -0.765 1.314 -0.467) 1.590 8.862 ( 6.009 0.144 -0.157) 6.013 8.979 ( -8.732 -0.498 0.861) 8.788 9.265 ( 3.081 -0.488 1.333) 3.392 9.318 ( 5.650 -4.594 0.692) 7.315 9.367 ( 11.560 1.034 -1.873) 11.757 9.517 ( 2.298 0.195 1.651) 2.836 9.590 ( 3.178 -3.904 -2.497) 5.619 10.345 ( -4.897 6.278 4.748) 9.270 10.492 ( -3.759 4.042 -0.250) 5.525 10.546 ( -6.269 -1.276 1.598) 6.595 10.647 ( -1.441 -4.967 -4.645) 6.951 11.076 ( 7.092 -0.830 2.083) 7.438 11.135 ( 8.965 0.337 -1.723) 9.136 11.452 ( 3.080 -0.795 -2.228) 3.883 11.551 ( 7.925 -0.266 0.330) 7.936 12.935 ( -11.143 -1.998 -0.475) 11.331 13.037 ( -5.744 -2.006 0.674) 6.122 13.355 ( -4.908 2.552 -0.944) 5.612 13.421 ( -4.823 -1.179 1.475) 5.180 13.535 ( 1.051 2.344 0.976) 2.748 13.654 ( 3.673 -3.808 -1.580) 5.522 13.948 ( -2.206 2.659 0.468) 3.486 14.028 ( -1.982 0.356 -0.156) 2.020 14.430 ( 1.154 2.162 -0.968) 2.635 14.614 ( 5.279 3.498 1.262) 6.457 15.026 ( -2.525 1.167 -2.764) 3.922 15.116 ( -0.926 0.442 4.051) 4.178 15.551 ( -1.939 -0.920 1.829) 2.819 15.643 ( 3.268 0.411 -2.464) 4.113 15.864 ( -5.926 4.907 2.677) 8.146 16.013 ( -1.062 3.842 -2.864) 4.908 16.585 ( 1.259 0.863 -0.925) 1.785 16.621 ( 3.168 -0.753 0.191) 3.262 16.744 ( -0.762 0.390 0.122) 0.865 16.775 ( 1.876 0.416 -0.693) 2.043 19.120 ( -4.226 -2.039 1.795) 5.024 19.298 ( 3.835 -2.267 -2.708) 5.213 20.399 ( -3.004 3.566 6.191) 7.750 20.512 ( -0.310 1.270 -7.446) 7.560 21.215 ( -1.662 -1.040 8.176) 8.408 21.379 ( 4.108 -1.150 -7.459) 8.592 23.086 ( -5.087 -1.742 7.091) 8.899 23.388 ( 8.272 -1.115 -4.727) 9.593 26.746 ( -1.013 0.706 0.035) 1.235 26.778 ( 0.709 -0.518 -0.059) 0.880 29.429 ( -0.761 4.229 1.252) 4.475 29.567 ( 7.734 -2.200 -0.453) 8.054 30.177 ( -1.658 2.726 17.924) 18.206 30.256 ( -7.316 2.317 -19.196) 20.673 30.837 ( -0.844 0.799 -0.191) 1.178 30.856 ( 0.387 0.470 -0.058) 0.611 31.365 ( -9.309 3.536 7.706) 12.591 31.663 ( 3.819 5.211 -6.924) 9.470 32.193 ( -1.335 0.337 3.073) 3.367 32.277 ( 2.067 0.488 -0.639) 2.217 32.490 ( -3.331 -0.838 -4.933) 6.011 32.702 ( 11.507 0.867 0.746) 11.563 33.689 ( -1.787 -0.273 7.390) 7.608 33.796 ( 1.598 -0.727 -7.658) 7.856 35.691 ( 0.876 0.217 6.247) 6.312 35.725 ( -1.010 0.453 -8.038) 8.114 36.286 ( -3.365 1.150 -0.973) 3.687 36.374 ( 1.633 3.570 4.733) 6.149 36.425 ( -1.555 -0.423 0.582) 1.713 36.563 ( 3.534 -0.712 -5.370) 6.467 37.733 ( -12.859 -7.007 14.980) 20.948 38.205 ( 9.200 -5.237 -10.766) 15.099 ======================= Grid point 176 (86/93) ======================= q-point: (-0.25 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -1.240 2.412 -1.980) 3.358 1.100 ( 0.919 1.841 0.407) 2.097 1.697 ( 3.287 6.383 -3.255) 7.883 2.034 ( 6.890 14.358 1.102) 15.964 2.437 ( 9.325 3.469 0.848) 9.985 2.640 ( -2.193 -1.169 1.108) 2.721 2.784 ( -1.082 -1.027 3.393) 3.707 2.804 ( -3.622 5.961 -1.146) 7.068 2.990 ( -10.784 -7.867 -7.694) 15.407 3.034 ( 0.469 -0.387 5.891) 5.922 3.244 ( 0.279 6.232 -6.117) 8.737 3.428 ( 2.384 -5.894 -2.963) 7.014 3.555 ( -6.399 2.724 -0.304) 6.961 3.753 ( -5.066 -4.897 1.928) 7.305 3.806 ( 0.105 0.069 4.400) 4.402 3.939 ( 4.546 -9.597 -2.792) 10.981 4.098 ( 11.509 -1.431 2.280) 11.819 4.131 ( 0.499 9.609 -1.514) 9.740 4.189 ( 0.302 -0.671 4.960) 5.014 4.380 ( -0.147 -3.203 -4.583) 5.594 4.627 ( 1.610 1.741 -4.794) 5.349 4.815 ( -4.943 -3.895 3.141) 7.033 4.893 ( -4.027 -4.031 3.301) 6.585 4.947 ( -2.397 -5.800 1.018) 6.357 5.040 ( 7.236 0.493 10.100) 12.435 5.287 ( -8.611 -2.035 6.621) 11.051 5.650 ( -8.858 1.098 1.460) 9.044 5.716 ( -6.364 11.924 0.837) 13.542 5.812 ( 0.758 4.138 -8.066) 9.097 5.894 ( 0.716 -1.036 -2.095) 2.444 6.042 ( -2.879 -4.616 -0.921) 5.518 6.100 ( -0.050 -3.703 2.066) 4.241 6.312 ( -1.086 -1.666 -0.949) 2.203 6.394 ( -1.400 -1.709 -4.158) 4.708 6.794 ( 2.062 1.503 -8.535) 8.908 6.939 ( -0.355 -0.977 10.055) 10.108 7.151 ( -2.339 -1.388 -1.103) 2.935 7.397 ( -5.016 4.036 -1.580) 6.629 7.435 ( 0.709 -0.158 -1.321) 1.508 7.538 ( 8.986 -4.186 -0.725) 9.940 8.750 ( 3.581 0.866 -0.798) 3.770 8.903 ( -4.608 -3.452 2.738) 6.376 8.963 ( 6.399 0.106 -0.496) 6.419 9.329 ( 1.629 0.001 -2.297) 2.816 9.394 ( 2.910 -0.420 1.657) 3.375 9.515 ( 10.985 0.517 -3.407) 11.513 9.634 ( 6.421 -2.321 1.697) 7.035 9.703 ( 5.660 -7.827 0.121) 9.660 10.205 ( -6.402 7.650 2.466) 10.275 10.345 ( -7.126 3.931 -2.925) 8.648 10.461 ( -9.701 -2.854 3.285) 10.632 10.628 ( -0.581 0.683 -3.861) 3.964 11.243 ( 10.367 -1.237 1.947) 10.620 11.281 ( 10.068 0.563 -0.671) 10.106 11.545 ( 6.747 -1.839 -1.050) 7.072 11.686 ( 7.460 -0.214 1.067) 7.539 12.767 ( -12.321 -3.575 -0.374) 12.834 12.956 ( -6.542 -5.377 0.629) 8.492 13.290 ( -1.498 -1.480 -1.111) 2.381 13.365 ( -4.031 -1.312 1.801) 4.605 13.518 ( 0.490 4.516 0.495) 4.569 13.717 ( 1.204 -2.380 -1.342) 2.985 13.884 ( -2.057 4.747 -0.469) 5.195 14.003 ( 0.200 -0.347 0.753) 0.853 14.434 ( 1.161 2.983 -0.185) 3.206 14.555 ( -5.875 3.479 -0.487) 6.845 14.888 ( -9.816 11.193 0.503) 14.896 15.154 ( 3.808 -1.168 0.239) 3.991 15.550 ( -0.847 -2.151 1.028) 2.530 15.672 ( 1.908 1.934 0.399) 2.746 15.737 ( -1.565 5.537 -0.964) 5.834 15.929 ( -3.076 3.659 -0.150) 4.782 16.597 ( 2.786 2.395 -0.705) 3.741 16.668 ( 0.943 -1.219 -0.518) 1.626 16.744 ( 0.477 -0.598 1.062) 1.309 16.807 ( 3.865 0.183 -2.307) 4.505 19.106 ( -1.673 -2.482 1.927) 3.560 19.356 ( 1.294 -3.414 -2.003) 4.165 20.304 ( -4.089 6.935 1.554) 8.200 20.475 ( -0.092 -0.110 -2.000) 2.005 21.259 ( -0.844 -1.147 8.241) 8.363 21.423 ( 4.591 -1.919 -6.383) 8.094 23.103 ( -1.778 -3.901 6.504) 7.790 23.494 ( 6.275 -0.921 -3.712) 7.349 26.718 ( -1.089 1.255 -0.105) 1.665 26.797 ( 0.671 -0.879 -0.057) 1.108 29.295 ( -5.942 11.777 -0.291) 13.195 29.756 ( 11.407 -0.709 0.181) 11.430 30.058 ( -5.068 -4.017 -8.415) 10.613 30.268 ( 2.811 -2.558 13.378) 13.907 30.809 ( -1.149 1.963 0.329) 2.298 30.850 ( 0.027 1.142 -0.380) 1.203 31.190 ( -11.546 6.196 6.222) 14.505 31.606 ( 2.744 10.708 -2.032) 11.239 32.206 ( 0.494 -0.170 2.975) 3.020 32.298 ( 1.188 0.723 0.240) 1.411 32.455 ( 0.557 -1.973 -3.987) 4.483 32.843 ( 9.171 3.853 -3.292) 10.478 33.702 ( -2.821 -1.095 7.460) 8.051 33.796 ( 3.138 -0.840 -7.090) 7.799 35.637 ( -2.701 0.799 -8.068) 8.546 35.740 ( 1.095 0.048 4.840) 4.963 36.135 ( -3.085 4.482 -15.946) 16.848 36.348 ( -3.674 -0.251 9.175) 9.886 36.490 ( 2.185 1.790 5.576) 6.251 36.592 ( 3.729 -0.317 -5.545) 6.689 37.731 ( -12.274 -12.499 15.372) 23.306 38.327 ( 6.589 -5.788 -10.189) 13.444 ======================= Grid point 177 (87/93) ======================= q-point: (-0.12 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.587 2.209 -2.788) 3.895 1.082 ( 0.634 3.294 0.443) 3.384 1.701 ( 6.486 5.760 2.587) 9.052 1.989 ( 4.756 9.578 -2.571) 10.999 2.451 ( -9.243 6.477 -9.011) 14.443 2.474 ( -7.835 4.456 -7.742) 11.882 2.787 ( 4.959 1.894 13.165) 14.195 2.874 ( -2.197 -3.792 -9.899) 10.826 2.998 ( 13.090 -7.807 -1.356) 15.301 3.117 ( 0.549 -10.762 12.157) 16.245 3.272 ( 7.883 -0.310 -0.633) 7.914 3.471 ( -1.771 1.122 3.036) 3.690 3.537 ( 1.187 -7.399 -1.804) 7.708 3.699 ( -3.262 0.362 -0.751) 3.367 3.755 ( -4.430 -0.492 -1.306) 4.644 3.982 ( -2.601 14.669 5.441) 15.860 4.027 ( -0.595 -3.102 0.924) 3.291 4.179 ( 2.793 0.037 -4.423) 5.231 4.378 ( 3.684 -7.401 0.260) 8.272 4.473 ( 8.610 -4.159 -0.470) 9.573 4.645 ( 6.418 3.896 -3.677) 8.360 4.780 ( -12.760 -5.053 6.231) 15.072 4.867 ( 1.680 -3.352 -2.628) 4.579 4.981 ( -0.387 -3.243 -0.170) 3.270 5.105 ( -7.610 1.329 7.118) 10.504 5.195 ( -3.942 0.272 2.252) 4.548 5.400 ( -10.858 10.150 1.554) 14.944 5.603 ( -3.835 0.105 2.858) 4.784 5.716 ( -0.460 4.191 -4.841) 6.420 5.888 ( -0.171 0.227 -1.678) 1.702 6.072 ( -0.103 -5.746 1.068) 5.845 6.155 ( 0.576 -2.281 2.579) 3.491 6.258 ( -3.775 0.080 -3.286) 5.006 6.369 ( 0.216 0.716 -3.185) 3.271 6.754 ( -0.314 1.907 -4.987) 5.348 6.963 ( -3.182 0.919 3.889) 5.108 7.103 ( 0.125 1.683 2.288) 2.843 7.305 ( -1.996 0.212 -3.598) 4.120 7.489 ( 3.672 -1.220 0.335) 3.884 7.735 ( 7.937 -4.946 0.342) 9.358 8.772 ( 1.180 1.312 -1.194) 2.130 8.904 ( -2.227 -1.998 3.169) 4.358 9.077 ( 6.368 -2.375 -0.597) 6.822 9.296 ( 0.840 1.779 -3.792) 4.272 9.498 ( 5.518 -2.095 0.751) 5.950 9.680 ( 10.652 -1.354 -1.169) 10.801 9.696 ( 0.123 -0.015 1.584) 1.589 9.902 ( 5.326 -7.026 -1.036) 8.877 10.057 ( -3.229 4.515 1.933) 5.878 10.174 ( -6.917 2.283 -3.839) 8.234 10.294 ( -13.340 2.961 2.316) 13.859 10.588 ( 0.069 1.843 -2.061) 2.766 11.417 ( 7.464 -0.762 0.834) 7.549 11.427 ( 7.748 -0.397 0.826) 7.802 11.643 ( 3.836 -0.706 0.218) 3.907 11.791 ( 4.194 -0.407 0.732) 4.277 12.614 ( -9.601 -2.234 0.062) 9.857 12.997 ( 1.541 -6.725 0.260) 6.904 13.304 ( -1.909 -5.458 -0.335) 5.792 13.404 ( 5.191 -6.457 0.849) 8.328 13.460 ( -1.285 5.918 0.029) 6.056 13.738 ( 1.868 -0.485 -0.861) 2.113 13.800 ( -2.123 2.570 -1.034) 3.490 14.034 ( 1.633 0.078 1.126) 1.985 14.344 ( -7.435 10.452 -1.459) 12.909 14.416 ( -6.459 4.863 0.506) 8.100 14.577 ( -9.834 6.647 0.587) 11.884 15.208 ( 2.325 -0.114 -0.860) 2.482 15.559 ( -1.143 -1.201 0.705) 1.801 15.684 ( 1.888 4.693 -1.146) 5.187 15.710 ( 2.124 -1.284 0.878) 2.633 15.852 ( -2.818 2.199 0.811) 3.666 16.617 ( 3.334 2.709 -0.342) 4.310 16.672 ( -1.334 -1.807 -0.962) 2.443 16.774 ( 0.689 -0.676 1.911) 2.141 16.856 ( 3.963 0.176 -2.986) 4.965 19.139 ( 1.184 -1.784 2.108) 3.004 19.377 ( -0.763 -2.287 -1.833) 3.029 20.188 ( -2.747 5.347 0.800) 6.064 20.473 ( 0.283 -0.410 -0.637) 0.809 21.304 ( -1.043 -0.531 7.952) 8.038 21.474 ( 3.748 -1.709 -5.665) 7.004 23.179 ( 0.254 -5.263 6.166) 8.111 23.542 ( 2.412 1.157 -3.612) 4.494 26.691 ( -0.653 0.942 -0.159) 1.157 26.813 ( 0.386 -0.572 -0.071) 0.693 29.078 ( -5.311 9.115 0.177) 10.551 29.784 ( 0.203 8.067 -1.118) 8.146 30.191 ( 8.054 -17.643 -2.138) 19.512 30.482 ( 4.981 -6.897 12.592) 15.197 30.745 ( -2.921 5.564 0.150) 6.286 30.833 ( 0.183 1.573 -0.648) 1.711 30.990 ( -8.011 3.929 2.548) 9.279 31.519 ( 2.238 13.325 1.173) 13.563 32.241 ( 1.022 -0.464 2.829) 3.044 32.301 ( 0.121 0.726 0.333) 0.808 32.490 ( 2.987 -1.921 -1.544) 3.873 32.859 ( 3.483 5.732 -7.862) 10.334 33.719 ( -3.466 -2.364 7.977) 9.013 33.823 ( 5.017 0.557 -6.309) 8.080 35.533 ( -3.163 0.733 -6.534) 7.296 35.785 ( 1.279 -0.193 3.063) 3.325 35.951 ( -2.216 3.892 -14.705) 15.372 36.359 ( -3.436 -1.141 9.763) 10.413 36.515 ( 0.192 1.804 3.633) 4.061 36.624 ( 4.455 -0.139 -6.524) 7.902 37.762 ( -10.838 -12.028 13.488) 21.073 38.394 ( 4.136 -2.186 -9.355) 10.460 ======================= Grid point 183 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.765 -0.000 -2.537) 2.650 1.120 ( 3.321 0.000 0.539) 3.364 1.803 ( 9.837 0.000 -7.045) 12.100 2.230 ( 7.107 0.000 5.727) 9.127 2.397 ( -5.139 -0.000 2.665) 5.789 2.579 ( -0.841 -0.000 3.600) 3.697 2.740 ( -1.082 -0.000 -6.405) 6.496 2.881 ( -19.407 -0.000 -3.573) 19.733 2.930 ( -2.129 -0.000 12.531) 12.710 3.054 ( -2.497 -0.000 -1.970) 3.181 3.331 ( -1.458 -0.000 -0.043) 1.459 3.511 ( 1.598 0.000 -0.564) 1.694 3.518 ( -9.582 -0.000 -14.995) 17.795 3.635 ( 1.301 0.000 6.642) 6.769 3.764 ( 2.384 0.000 -2.287) 3.304 3.904 ( 8.340 0.000 -5.847) 10.185 3.936 ( 12.452 0.000 7.188) 14.378 4.222 ( -4.993 -0.000 1.769) 5.297 4.226 ( 4.208 0.000 1.108) 4.352 4.450 ( 1.156 0.000 -8.680) 8.757 4.650 ( -2.496 -0.000 5.628) 6.156 4.736 ( -4.744 -0.000 3.383) 5.827 4.861 ( -1.764 -0.000 -3.796) 4.186 4.866 ( -1.357 -0.000 0.341) 1.399 5.042 ( 9.384 0.000 11.928) 15.177 5.263 ( -9.411 -0.000 8.264) 12.524 5.664 ( -10.384 -0.000 5.436) 11.721 5.810 ( -1.833 -0.000 -11.428) 11.574 5.873 ( -0.268 -0.000 2.459) 2.474 5.949 ( -5.693 -0.000 1.359) 5.853 5.976 ( -2.395 -0.000 -2.483) 3.450 6.031 ( 4.461 0.000 -1.434) 4.686 6.295 ( -0.987 -0.000 -2.460) 2.651 6.371 ( 2.021 0.000 -2.943) 3.570 6.820 ( 3.589 0.000 -10.426) 11.026 6.923 ( -1.865 -0.000 11.193) 11.347 7.127 ( -0.335 -0.000 0.048) 0.338 7.423 ( 3.063 0.000 -3.607) 4.732 7.469 ( -1.867 -0.000 1.061) 2.148 7.491 ( 1.915 0.000 -1.186) 2.253 8.758 ( 2.783 0.000 0.024) 2.783 8.876 ( -4.303 -0.000 1.219) 4.473 8.961 ( 6.133 0.000 -0.031) 6.133 9.342 ( 3.336 0.000 -2.915) 4.430 9.382 ( 5.178 0.000 2.595) 5.791 9.515 ( 10.637 0.000 -4.435) 11.525 9.609 ( 5.764 0.000 2.180) 6.163 9.614 ( 3.975 0.000 1.075) 4.118 10.335 ( -12.804 -0.000 2.237) 12.998 10.355 ( -3.189 -0.000 3.269) 4.567 10.421 ( -8.848 -0.000 -3.327) 9.453 10.617 ( 1.477 0.000 -3.103) 3.437 11.232 ( 10.570 0.000 2.286) 10.814 11.297 ( 10.745 0.000 -1.249) 10.818 11.522 ( 7.215 0.000 -1.638) 7.398 11.684 ( 7.460 0.000 1.158) 7.549 12.733 ( -10.588 -0.000 -0.461) 10.598 12.895 ( -9.272 -0.000 0.725) 9.301 13.278 ( -4.351 -0.000 -1.497) 4.601 13.350 ( -3.756 -0.000 2.313) 4.411 13.588 ( 0.848 0.000 1.110) 1.396 13.665 ( 2.211 0.000 -2.175) 3.102 13.968 ( 1.218 0.000 1.109) 1.647 13.969 ( -3.850 -0.000 -0.610) 3.898 14.463 ( 0.502 0.000 0.034) 0.503 14.588 ( -7.558 -0.000 -0.933) 7.615 15.070 ( -6.986 -0.000 3.286) 7.720 15.082 ( 4.829 0.000 -1.717) 5.126 15.523 ( -1.189 -0.000 1.399) 1.836 15.682 ( 2.446 0.000 -1.744) 3.005 15.818 ( -4.488 -0.000 2.146) 4.975 15.956 ( -4.937 -0.000 -2.482) 5.525 16.625 ( 2.957 0.000 -0.105) 2.958 16.651 ( 0.674 0.000 -0.716) 0.984 16.736 ( 0.021 0.000 0.838) 0.838 16.809 ( 3.373 0.000 -1.810) 3.828 19.082 ( -0.765 -0.000 2.325) 2.447 19.319 ( 2.201 0.000 -2.504) 3.334 20.412 ( -3.226 -0.000 6.456) 7.217 20.440 ( -2.467 -0.000 -7.161) 7.574 21.249 ( -0.203 -0.000 8.594) 8.596 21.402 ( 4.914 0.000 -6.806) 8.395 23.060 ( -2.332 -0.000 6.372) 6.785 23.482 ( 6.931 0.000 -3.816) 7.912 26.738 ( -0.669 -0.000 -0.233) 0.708 26.781 ( 0.277 0.000 0.112) 0.299 29.481 ( -0.032 -0.000 -0.673) 0.673 29.661 ( 6.319 0.000 0.306) 6.326 30.054 ( -4.888 -0.000 -10.625) 11.696 30.223 ( -4.809 -0.000 13.664) 14.486 30.826 ( -1.023 -0.000 0.130) 1.031 30.862 ( 0.081 0.000 -0.204) 0.220 31.258 ( -12.349 -0.000 7.336) 14.364 31.726 ( 3.982 0.000 -2.092) 4.498 32.207 ( 0.067 0.000 3.784) 3.785 32.299 ( 0.325 0.000 -0.664) 0.739 32.431 ( 0.846 0.000 -3.820) 3.913 32.884 ( 10.066 0.000 -2.691) 10.420 33.690 ( -3.432 -0.000 6.866) 7.676 33.787 ( 3.804 0.000 -7.031) 7.994 35.646 ( -2.553 -0.000 -8.714) 9.080 35.741 ( 0.795 0.000 5.037) 5.099 36.184 ( -2.999 -0.000 -17.054) 17.316 36.348 ( -4.382 -0.000 8.116) 9.224 36.505 ( 2.949 0.000 4.245) 5.168 36.592 ( 2.696 0.000 -2.071) 3.400 37.598 ( -11.174 -0.000 16.705) 20.098 38.268 ( 9.460 0.000 -10.300) 13.985 ======================= Grid point 184 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.346 2.447 -1.957) 3.152 1.144 ( 0.251 2.033 -0.155) 2.054 1.900 ( 8.769 13.145 0.494) 15.810 2.150 ( -9.281 2.466 -2.845) 10.016 2.449 ( -20.660 -3.228 -10.476) 23.388 2.537 ( -5.737 -5.459 -1.604) 8.080 2.593 ( 6.378 -5.580 6.087) 10.434 2.834 ( 8.998 -5.955 4.080) 11.536 2.964 ( 4.495 3.215 8.788) 10.381 3.035 ( -4.233 4.447 1.582) 6.340 3.236 ( -0.284 -2.288 -3.993) 4.611 3.454 ( 6.755 -0.715 -2.450) 7.221 3.537 ( 2.330 3.446 1.167) 4.321 3.684 ( -2.485 1.018 4.353) 5.115 3.811 ( -0.063 -0.935 -2.829) 2.980 3.902 ( 0.155 -1.566 -0.327) 1.607 4.071 ( -2.316 -13.120 -4.226) 13.977 4.261 ( 2.619 3.239 -1.538) 4.440 4.324 ( 8.316 12.337 2.456) 15.080 4.456 ( 9.878 0.833 -1.549) 10.034 4.661 ( 4.024 -3.200 -2.482) 5.709 4.688 ( -6.470 -2.483 2.789) 7.470 4.825 ( -1.723 -1.939 -0.410) 2.626 4.875 ( -0.324 -4.452 -0.048) 4.464 5.100 ( -17.207 -1.169 9.717) 19.795 5.190 ( 2.305 -0.153 2.761) 3.600 5.503 ( -11.593 3.704 5.894) 13.523 5.665 ( -7.004 -0.621 -6.878) 9.837 5.813 ( -3.866 4.542 0.063) 5.965 5.927 ( -2.079 -1.518 -3.153) 4.071 5.943 ( 4.538 1.972 3.950) 6.331 6.119 ( 2.684 -3.339 -0.218) 4.290 6.258 ( -2.014 -0.064 -1.614) 2.582 6.389 ( 3.189 0.832 -4.137) 5.289 6.819 ( 3.522 3.932 -7.222) 8.945 6.936 ( -2.833 -2.825 4.375) 5.929 7.131 ( 0.653 0.328 1.729) 1.878 7.338 ( -5.534 1.991 -0.599) 5.912 7.515 ( 5.893 3.245 0.253) 6.732 7.628 ( 8.992 -5.115 0.421) 10.354 8.806 ( 2.004 1.233 -2.076) 3.138 8.859 ( 0.664 -1.495 4.438) 4.730 9.047 ( 4.719 -0.770 -1.855) 5.129 9.332 ( 0.147 1.182 -4.230) 4.394 9.485 ( 6.527 0.736 1.840) 6.821 9.658 ( 6.324 -0.829 -1.853) 6.641 9.691 ( 5.094 0.450 1.790) 5.418 9.756 ( 7.537 -6.184 1.017) 9.802 10.129 ( -10.416 2.356 1.067) 10.732 10.238 ( -7.164 2.383 -4.483) 8.781 10.321 ( -7.454 0.219 3.442) 8.214 10.596 ( -2.141 -0.484 -2.953) 3.680 11.407 ( 7.874 -0.222 2.346) 8.219 11.430 ( 6.640 0.415 -0.405) 6.665 11.635 ( 6.613 -0.242 -0.774) 6.663 11.783 ( 3.637 -0.316 1.119) 3.819 12.622 ( -2.193 2.293 -0.437) 3.203 12.838 ( -0.232 -6.806 0.561) 6.833 13.226 ( -2.143 -1.798 -0.671) 2.876 13.330 ( -0.532 -1.588 1.462) 2.223 13.567 ( -0.750 4.214 0.479) 4.307 13.691 ( 0.051 -3.035 -1.484) 3.379 13.885 ( -2.801 4.260 -0.380) 5.112 14.003 ( -0.131 -2.637 0.501) 2.688 14.431 ( -3.663 1.721 -0.069) 4.047 14.474 ( -3.790 0.378 -0.535) 3.846 14.844 ( -12.523 15.185 0.669) 19.694 15.126 ( -4.217 -8.348 -0.517) 9.367 15.534 ( -0.480 -0.329 1.152) 1.291 15.693 ( 0.091 -0.471 -0.714) 0.860 15.765 ( -0.608 2.901 0.727) 3.052 15.874 ( -3.509 -0.278 -0.928) 3.640 16.638 ( -1.616 -0.967 -1.181) 2.223 16.664 ( 2.608 1.455 0.044) 2.987 16.757 ( 0.310 -0.843 1.932) 2.130 16.862 ( 5.021 0.275 -2.893) 5.801 19.120 ( 3.043 -0.280 2.775) 4.128 19.337 ( 1.291 -1.268 -2.639) 3.200 20.311 ( -3.373 6.119 -1.818) 7.220 20.430 ( -2.315 -3.735 1.326) 4.590 21.303 ( 0.186 0.235 8.703) 8.709 21.446 ( 4.792 -0.896 -6.190) 7.879 23.089 ( -0.604 -2.795 6.119) 6.754 23.547 ( 3.756 -0.175 -3.798) 5.344 26.719 ( -0.436 1.412 -0.293) 1.507 26.792 ( 0.149 -1.153 0.110) 1.168 29.321 ( -6.974 12.956 -2.054) 14.856 29.809 ( -4.351 -15.306 1.331) 15.968 29.975 ( 6.278 7.066 -0.407) 9.461 30.305 ( 4.014 -8.404 5.294) 10.713 30.801 ( -2.569 0.929 0.992) 2.906 30.856 ( -0.074 0.595 -0.545) 0.810 31.070 ( -13.438 2.649 5.608) 14.800 31.750 ( 3.889 7.302 0.206) 8.276 32.236 ( 0.707 0.258 3.372) 3.455 32.288 ( -0.916 -1.682 -1.539) 2.457 32.464 ( 3.324 -0.494 0.029) 3.361 32.951 ( 3.954 2.722 -9.091) 10.280 33.673 ( -4.507 -1.545 6.997) 8.465 33.832 ( 6.448 0.264 -5.699) 8.609 35.545 ( -3.079 0.370 -7.431) 8.052 35.780 ( 0.870 -0.200 3.292) 3.411 36.014 ( -2.519 1.895 -18.548) 18.814 36.345 ( -3.891 -0.280 10.722) 11.409 36.542 ( -1.352 0.633 4.259) 4.513 36.619 ( 3.913 -0.116 -5.335) 6.617 37.585 ( -7.683 -4.814 19.111) 21.153 38.363 ( 9.699 -0.757 -10.688) 14.453 ======================= Grid point 185 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.290 4.828 -1.794) 5.310 1.095 ( -2.730 0.470 -1.581) 3.190 1.809 ( -13.036 0.245 0.805) 13.063 1.967 ( -11.917 -5.149 -1.716) 13.095 2.165 ( -3.515 0.923 -8.036) 8.820 2.357 ( -5.288 8.844 -1.263) 10.381 2.831 ( -4.258 -2.180 2.708) 5.497 2.901 ( -3.615 4.438 3.793) 6.867 3.017 ( 9.882 -15.910 0.078) 18.729 3.221 ( 4.234 -0.396 9.181) 10.118 3.318 ( 4.349 -4.669 -0.447) 6.396 3.536 ( 5.776 5.352 -5.364) 9.528 3.616 ( 10.837 -4.759 0.646) 11.853 3.658 ( 3.337 0.615 0.792) 3.484 3.737 ( -5.990 3.357 4.259) 8.080 3.911 ( -5.783 -4.148 1.895) 7.365 4.111 ( -4.917 -2.897 -0.254) 5.712 4.149 ( -2.901 16.955 2.268) 17.350 4.379 ( 12.350 -4.622 -6.816) 14.844 4.563 ( 1.234 -3.296 -1.768) 3.939 4.633 ( -1.199 -0.077 -0.702) 1.392 4.748 ( 1.736 2.563 1.116) 3.291 4.874 ( -1.318 -0.988 3.761) 4.105 4.912 ( -9.961 -2.618 4.449) 11.219 4.973 ( 6.809 -8.093 -0.479) 10.587 5.226 ( 4.433 -2.013 -3.181) 5.816 5.332 ( -4.063 3.923 -2.102) 6.026 5.536 ( -7.328 -0.050 2.092) 7.621 5.737 ( -1.085 3.302 -0.222) 3.482 5.868 ( -1.994 0.742 -3.666) 4.239 6.065 ( 3.995 -2.390 7.090) 8.481 6.177 ( 2.207 -1.616 -1.282) 3.021 6.232 ( 1.400 1.364 0.782) 2.105 6.385 ( 1.779 3.122 -4.912) 6.086 6.752 ( -1.044 5.092 -2.091) 5.603 6.971 ( 3.274 -1.252 -2.966) 4.592 7.141 ( -0.801 1.909 4.322) 4.792 7.245 ( -3.910 0.007 -0.350) 3.926 7.567 ( 3.775 3.626 0.695) 5.280 7.804 ( 5.487 -3.131 0.463) 6.334 8.785 ( -0.364 1.655 -0.621) 1.805 8.930 ( 4.339 0.943 1.008) 4.553 9.102 ( 0.121 -2.824 -0.803) 2.939 9.309 ( 1.355 0.206 -3.898) 4.132 9.578 ( 5.376 0.482 0.597) 5.430 9.700 ( -3.731 2.850 0.452) 4.717 9.761 ( 2.439 -3.184 0.306) 4.022 9.908 ( 2.297 -4.107 0.635) 4.748 10.041 ( -1.033 -2.268 0.836) 2.629 10.113 ( 0.060 2.056 -4.020) 4.516 10.165 ( -7.994 5.758 3.009) 10.301 10.547 ( -3.268 -2.811 -2.332) 4.901 11.484 ( 0.028 -0.450 1.713) 1.771 11.487 ( -0.466 -0.504 0.442) 0.817 11.709 ( 3.321 1.696 -0.112) 3.731 11.822 ( 0.308 -0.776 0.248) 0.870 12.610 ( 6.949 6.201 -0.187) 9.316 12.983 ( 5.183 -6.850 -0.012) 8.590 13.246 ( 0.994 -4.139 0.325) 4.270 13.411 ( 3.735 -7.471 0.328) 8.359 13.498 ( -0.876 5.825 -0.068) 5.890 13.722 ( 0.877 -4.567 -0.553) 4.683 13.814 ( 0.156 2.757 0.067) 2.762 14.018 ( -2.107 -3.234 -0.051) 3.860 14.322 ( -8.639 13.052 -1.054) 15.688 14.380 ( -6.864 7.639 0.784) 10.299 14.507 ( -3.840 2.089 0.102) 4.373 15.135 ( -5.716 -9.815 -0.409) 11.366 15.507 ( -3.685 -1.898 0.933) 4.248 15.675 ( -2.142 0.146 -1.081) 2.404 15.769 ( 1.845 0.113 0.497) 1.914 15.831 ( -1.306 1.662 0.278) 2.132 16.611 ( -2.318 -1.518 -1.095) 2.979 16.681 ( 1.407 1.418 -0.028) 1.998 16.772 ( -1.441 -1.263 2.083) 2.830 16.909 ( 3.882 1.887 -3.279) 5.420 19.201 ( 4.982 1.245 1.879) 5.468 19.354 ( 1.656 -0.941 -2.365) 3.037 20.197 ( -2.515 4.672 -1.038) 5.406 20.440 ( -1.548 -3.405 0.367) 3.758 21.348 ( -0.310 1.368 8.211) 8.330 21.485 ( 3.481 -0.570 -5.792) 6.782 23.172 ( 0.851 -5.416 6.087) 8.192 23.552 ( 0.622 1.033 -4.356) 4.520 26.698 ( 0.006 1.571 -0.219) 1.586 26.806 ( -0.151 -1.177 0.035) 1.187 29.088 ( -5.398 9.156 -0.309) 10.633 29.723 ( -10.599 -2.774 0.485) 10.967 30.203 ( 10.961 -11.677 2.740) 16.248 30.491 ( -1.503 -4.907 5.473) 7.503 30.713 ( -3.641 -0.701 -0.575) 3.752 30.850 ( 1.338 0.550 -1.404) 2.016 30.929 ( -3.176 0.568 1.470) 3.545 31.691 ( 1.858 13.234 -2.029) 13.517 32.259 ( 0.062 -0.965 0.893) 1.316 32.296 ( -0.405 -1.174 1.200) 1.727 32.524 ( 2.282 -0.786 1.488) 2.835 32.850 ( -2.491 3.414 -14.311) 14.921 33.669 ( -4.441 -3.037 6.707) 8.598 33.896 ( 6.336 1.478 -5.500) 8.519 35.465 ( -1.628 0.355 -3.916) 4.256 35.812 ( 0.806 -0.441 1.257) 1.557 35.854 ( -2.740 1.684 -12.373) 12.784 36.355 ( -3.499 -0.699 10.011) 10.628 36.519 ( -3.311 -0.228 3.180) 4.597 36.646 ( 3.706 -0.212 -7.186) 8.088 37.671 ( -3.075 -3.964 21.057) 21.646 38.452 ( 10.266 2.217 -10.357) 14.751 ======================= Grid point 192 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 2.760 0.000 -0.327) 2.780 1.092 ( -7.028 -0.000 -3.492) 7.848 1.816 ( -23.307 -0.000 -0.683) 23.317 1.882 ( -24.640 -0.000 0.463) 24.644 2.288 ( 5.382 0.000 -4.961) 7.320 2.460 ( 1.851 0.000 -2.954) 3.486 2.594 ( 1.548 0.000 -5.485) 5.699 2.906 ( -13.369 -0.000 11.927) 17.915 3.031 ( 8.119 0.000 1.829) 8.322 3.190 ( 7.436 0.000 10.742) 13.064 3.289 ( 8.328 0.000 -1.224) 8.418 3.561 ( 4.904 0.000 0.384) 4.919 3.595 ( 3.520 0.000 -2.589) 4.370 3.682 ( -2.973 -0.000 8.840) 9.327 3.753 ( -0.059 -0.000 -10.634) 10.634 3.875 ( -2.978 -0.000 8.092) 8.622 4.003 ( 5.389 0.000 -7.547) 9.274 4.297 ( 3.096 0.000 -1.626) 3.497 4.503 ( 2.049 0.000 0.962) 2.263 4.530 ( 0.944 0.000 -4.705) 4.799 4.645 ( 3.663 0.000 -8.552) 9.304 4.738 ( -7.704 -0.000 6.247) 9.918 4.785 ( 12.529 0.000 2.419) 12.760 4.866 ( 0.688 0.000 1.100) 1.297 4.892 ( -10.585 -0.000 12.001) 16.002 5.172 ( 0.210 0.000 -3.928) 3.933 5.437 ( -7.298 -0.000 5.576) 9.184 5.486 ( -4.218 -0.000 -11.452) 12.204 5.782 ( -2.342 -0.000 -0.218) 2.352 5.890 ( -0.812 -0.000 1.993) 2.152 6.084 ( -1.732 -0.000 -1.180) 2.095 6.114 ( 8.155 0.000 4.902) 9.515 6.249 ( 1.116 0.000 0.363) 1.173 6.422 ( 3.431 0.000 -5.135) 6.175 6.866 ( -3.032 -0.000 1.698) 3.475 6.895 ( 6.174 0.000 -8.202) 10.266 7.167 ( 0.362 0.000 4.010) 4.026 7.254 ( -5.942 -0.000 1.568) 6.146 7.629 ( 4.970 0.000 -0.044) 4.970 7.750 ( 8.361 0.000 1.046) 8.426 8.808 ( -0.409 -0.000 -0.811) 0.909 8.944 ( 6.053 0.000 3.839) 7.168 9.063 ( 0.084 0.000 -3.680) 3.681 9.303 ( -0.300 -0.000 -4.190) 4.201 9.622 ( 6.902 0.000 1.518) 7.067 9.698 ( 2.076 0.000 -0.257) 2.092 9.743 ( -3.119 -0.000 1.086) 3.303 9.843 ( 4.104 0.000 1.015) 4.227 10.021 ( -3.070 -0.000 1.722) 3.520 10.129 ( -1.059 -0.000 -5.534) 5.635 10.245 ( -6.324 -0.000 3.369) 7.166 10.503 ( -5.973 -0.000 -3.151) 6.753 11.478 ( -0.081 -0.000 0.659) 0.663 11.480 ( -0.252 -0.000 1.670) 1.689 11.735 ( 5.409 0.000 -0.234) 5.414 11.808 ( -0.717 -0.000 0.559) 0.909 12.740 ( 11.921 0.000 -0.879) 11.954 12.841 ( 6.208 0.000 0.478) 6.226 13.202 ( 0.775 0.000 0.339) 0.846 13.330 ( 1.029 0.000 0.449) 1.122 13.587 ( 0.031 0.000 1.295) 1.295 13.649 ( -1.363 -0.000 -1.507) 2.032 13.875 ( -1.623 -0.000 0.155) 1.631 13.949 ( -3.059 -0.000 -0.737) 3.147 14.391 ( -2.224 -0.000 -0.338) 2.249 14.446 ( -0.024 -0.000 0.480) 0.481 14.807 ( -10.185 -0.000 0.501) 10.198 14.839 ( -16.380 -0.000 -1.325) 16.433 15.501 ( -5.074 -0.000 1.614) 5.325 15.671 ( -1.499 -0.000 -1.501) 2.122 15.771 ( -1.430 -0.000 2.984) 3.309 15.848 ( 1.245 0.000 -2.573) 2.858 16.597 ( -1.874 -0.000 -0.914) 2.085 16.697 ( 0.606 0.000 -0.298) 0.675 16.755 ( -1.689 -0.000 2.423) 2.954 16.932 ( 5.416 0.000 -3.597) 6.502 19.219 ( 6.602 0.000 3.302) 7.382 19.340 ( 2.250 0.000 -3.732) 4.358 20.275 ( -2.650 -0.000 -5.518) 6.122 20.377 ( -3.193 -0.000 4.404) 5.440 21.367 ( 0.400 0.000 9.187) 9.195 21.478 ( 4.392 0.000 -6.329) 7.704 23.107 ( 0.013 0.000 6.346) 6.346 23.560 ( 1.241 0.000 -4.554) 4.721 26.722 ( 0.025 0.000 -0.362) 0.363 26.786 ( -0.161 -0.000 0.169) 0.233 29.251 ( -8.653 -0.000 -2.650) 9.050 29.610 ( -11.277 -0.000 4.097) 11.998 30.121 ( 4.607 0.000 3.905) 6.039 30.389 ( 11.503 0.000 -2.014) 11.678 30.723 ( -10.406 -0.000 2.813) 10.780 30.856 ( 0.543 0.000 -0.906) 1.056 30.937 ( -5.572 -0.000 2.586) 6.143 31.850 ( 3.499 0.000 -2.554) 4.332 32.242 ( -0.916 -0.000 -2.609) 2.765 32.274 ( 0.113 0.000 4.248) 4.250 32.518 ( 2.027 0.000 2.382) 3.128 32.889 ( -3.306 -0.000 -17.756) 18.061 33.632 ( -4.757 -0.000 7.488) 8.872 33.911 ( 6.872 0.000 -5.768) 8.972 35.469 ( -1.677 -0.000 -4.370) 4.680 35.806 ( 0.679 0.000 1.459) 1.609 35.873 ( -3.073 -0.000 -14.481) 14.803 36.349 ( -3.897 -0.000 10.924) 11.598 36.515 ( -4.752 -0.000 3.501) 5.903 36.644 ( 3.805 0.000 -7.055) 8.015 37.632 ( -0.633 -0.000 25.027) 25.035 38.475 ( 12.854 0.000 -11.264) 17.091 ======================= Grid point 193 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -12.169 -1.234 -6.146) 13.688 1.060 ( 1.206 0.904 -0.675) 1.652 1.425 ( -24.187 -0.010 5.735) 24.858 1.625 ( -17.411 -12.631 11.018) 24.168 2.166 ( -17.244 0.011 2.230) 17.387 2.378 ( 3.533 14.310 -10.463) 18.076 2.701 ( -0.338 -11.669 -5.718) 12.999 2.807 ( -7.144 -5.797 7.606) 11.937 3.087 ( 0.523 0.889 1.800) 2.074 3.191 ( -12.277 -0.347 4.796) 13.185 3.304 ( -3.632 -1.597 1.119) 4.123 3.542 ( -2.720 4.684 -17.842) 18.646 3.630 ( -1.462 2.632 7.273) 7.871 3.772 ( 9.598 2.557 1.135) 9.997 3.817 ( 1.488 -8.886 5.184) 10.395 3.951 ( 7.026 0.369 4.620) 8.417 4.061 ( 9.674 1.569 -0.608) 9.819 4.248 ( -3.669 10.139 -2.412) 11.048 4.494 ( -3.850 4.407 8.660) 10.452 4.575 ( 7.088 -3.761 -4.823) 9.362 4.601 ( -4.984 -2.077 2.981) 6.168 4.787 ( -2.527 -3.713 0.753) 4.554 4.790 ( 14.558 -1.163 -2.114) 14.757 4.907 ( 4.280 0.489 -1.136) 4.455 5.106 ( 10.866 0.305 0.901) 10.908 5.252 ( 8.196 -9.297 -1.852) 12.532 5.324 ( -0.704 3.602 -4.501) 5.808 5.405 ( -4.137 -3.113 -3.774) 6.407 5.787 ( 3.322 1.814 2.514) 4.544 5.840 ( -2.614 5.476 0.017) 6.068 6.077 ( -0.653 -4.003 -0.024) 4.056 6.254 ( 4.860 0.404 2.539) 5.498 6.321 ( 7.484 0.070 3.323) 8.189 6.420 ( 2.634 3.277 -5.459) 6.890 6.803 ( 0.900 6.674 -1.170) 6.836 6.970 ( 2.632 -5.253 -4.272) 7.265 7.167 ( -0.806 2.884 2.758) 4.071 7.204 ( -1.432 -0.312 3.572) 3.861 7.663 ( 1.843 4.193 0.120) 4.582 7.842 ( 0.488 -0.372 0.444) 0.757 8.797 ( 0.573 1.467 -0.483) 1.647 9.010 ( -0.924 0.136 -3.439) 3.564 9.077 ( 5.092 -0.680 3.220) 6.063 9.294 ( 0.862 -0.481 -4.130) 4.246 9.619 ( -8.123 3.229 -0.381) 8.750 9.669 ( -1.463 0.912 -0.048) 1.724 9.680 ( -7.694 -1.356 0.310) 7.818 9.879 ( 0.645 -3.351 2.759) 4.388 10.060 ( 4.610 0.130 1.589) 4.878 10.127 ( -1.845 1.501 -0.678) 2.473 10.220 ( 8.468 1.912 -0.907) 8.728 10.424 ( -3.564 -5.125 -1.906) 6.527 11.441 ( -4.710 0.562 0.919) 4.832 11.451 ( -4.301 0.044 1.042) 4.426 11.749 ( -1.654 2.555 -0.511) 3.086 11.791 ( -2.723 -1.442 -0.260) 3.092 12.882 ( 14.264 8.606 -0.485) 16.666 13.025 ( 7.592 -4.757 -0.383) 8.967 13.251 ( 2.566 -1.696 0.682) 3.150 13.374 ( 0.421 -6.244 0.020) 6.258 13.565 ( 1.763 6.525 -0.472) 6.776 13.699 ( 3.935 -6.105 0.899) 7.319 13.851 ( 1.975 1.045 0.291) 2.253 13.935 ( -1.871 -4.719 -0.468) 5.098 14.288 ( -17.926 20.592 -1.093) 27.324 14.368 ( 0.123 1.667 0.354) 1.709 14.490 ( -1.824 1.395 0.217) 2.307 14.836 ( -10.039 -21.019 -0.911) 23.311 15.423 ( -5.164 -1.098 1.310) 5.439 15.621 ( -3.273 -0.247 -2.590) 4.181 15.776 ( -0.917 -0.794 3.205) 3.427 15.840 ( -0.313 1.505 -2.170) 2.659 16.567 ( -1.407 -0.059 -0.501) 1.495 16.683 ( -1.492 0.004 -1.295) 1.976 16.731 ( -3.721 -1.007 2.288) 4.483 16.960 ( 1.725 2.317 -4.612) 5.442 19.324 ( 5.650 3.867 -1.099) 6.934 19.385 ( 5.534 -1.824 -0.443) 5.844 20.187 ( -1.886 3.086 -3.322) 4.911 20.369 ( -3.093 -3.899 1.240) 5.129 21.419 ( 0.235 2.162 8.398) 8.675 21.501 ( 3.322 0.227 -6.222) 7.057 23.175 ( 0.837 -4.187 6.484) 7.763 23.533 ( -0.172 0.752 -5.342) 5.398 26.716 ( 0.442 1.351 -0.230) 1.440 26.789 ( -0.463 -1.074 0.060) 1.172 29.075 ( -5.960 6.068 -0.166) 8.507 29.485 ( -11.256 -7.632 1.326) 13.664 30.158 ( -12.242 -6.068 8.623) 16.157 30.519 ( 5.402 4.278 -2.280) 7.258 30.651 ( 3.748 -7.711 -3.283) 9.181 30.870 ( 2.520 -0.316 -2.964) 3.903 30.924 ( 1.187 -0.366 1.064) 1.636 31.761 ( -4.182 9.571 -15.781) 18.925 32.231 ( -0.579 -2.367 -1.597) 2.913 32.285 ( -2.069 -0.257 2.104) 2.962 32.544 ( -1.110 0.284 1.658) 2.016 32.663 ( -8.750 -1.744 -16.248) 18.536 33.622 ( -3.582 -1.483 8.059) 8.943 33.961 ( 4.912 0.971 -7.433) 8.962 35.448 ( 0.799 0.030 0.368) 0.880 35.763 ( -2.450 0.067 -4.213) 4.874 35.818 ( 0.141 -0.311 -0.639) 0.724 36.356 ( -3.505 -0.344 10.101) 10.697 36.455 ( -5.260 -1.262 1.918) 5.740 36.648 ( 2.551 0.034 -8.134) 8.524 37.863 ( 8.739 2.159 30.140) 31.455 38.619 ( 14.911 2.882 -10.440) 18.429 ======================= Grid point 201 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -18.267 -0.000 -8.828) 20.288 0.961 ( -15.704 -0.000 4.675) 16.385 1.251 ( -5.838 -0.000 12.236) 13.558 1.432 ( -16.549 -0.000 25.690) 30.559 1.741 ( -28.538 -0.000 14.847) 32.169 2.489 ( -2.244 -0.000 -17.255) 17.400 2.501 ( -1.613 -0.000 -17.956) 18.028 2.724 ( -6.400 -0.000 11.227) 12.923 2.871 ( -15.476 -0.000 -4.439) 16.101 3.077 ( -9.409 -0.000 3.344) 9.986 3.248 ( -5.932 -0.000 11.011) 12.507 3.463 ( 2.662 0.000 -13.197) 13.463 3.693 ( -0.474 -0.000 -2.162) 2.213 3.705 ( -4.916 -0.000 5.512) 7.386 3.895 ( 3.606 0.000 5.051) 6.206 4.173 ( 0.531 0.000 -17.047) 17.055 4.186 ( 15.155 0.000 -0.750) 15.174 4.253 ( 1.187 0.000 0.597) 1.329 4.383 ( -12.712 -0.000 8.451) 15.265 4.648 ( 10.351 0.000 7.813) 12.969 4.694 ( 1.583 0.000 -2.241) 2.744 4.800 ( 10.334 0.000 8.042) 13.095 4.946 ( 1.287 0.000 0.460) 1.366 5.017 ( 5.605 0.000 -1.610) 5.832 5.246 ( 5.060 0.000 -2.192) 5.514 5.260 ( 4.633 0.000 -11.263) 12.179 5.345 ( 10.721 0.000 -9.926) 14.611 5.412 ( 6.798 0.000 5.733) 8.892 5.834 ( -5.203 -0.000 3.672) 6.369 5.868 ( -1.342 -0.000 0.471) 1.422 6.097 ( 10.431 0.000 1.050) 10.484 6.347 ( 4.891 0.000 2.020) 5.291 6.480 ( 7.718 0.000 -4.758) 9.067 6.482 ( 10.270 0.000 0.477) 10.281 6.882 ( 5.728 0.000 -1.000) 5.814 6.921 ( -2.000 -0.000 0.322) 2.026 7.202 ( -0.287 -0.000 8.311) 8.316 7.284 ( 9.071 0.000 1.955) 9.279 7.688 ( -1.159 -0.000 -0.099) 1.163 7.796 ( -6.647 -0.000 0.376) 6.657 8.831 ( 3.041 0.000 -0.951) 3.186 8.960 ( -1.117 -0.000 -1.927) 2.228 9.187 ( 4.361 0.000 2.997) 5.292 9.270 ( -4.220 -0.000 -2.446) 4.877 9.447 ( -10.627 -0.000 0.666) 10.648 9.474 ( -14.704 -0.000 0.176) 14.705 9.680 ( 2.477 0.000 -1.738) 3.026 9.943 ( 6.247 0.000 1.749) 6.487 10.075 ( -3.272 -0.000 -2.762) 4.282 10.180 ( 6.282 0.000 2.550) 6.780 10.348 ( -0.793 -0.000 1.183) 1.425 10.394 ( 11.406 0.000 -1.754) 11.540 11.359 ( -6.702 -0.000 1.024) 6.780 11.370 ( -6.679 -0.000 0.211) 6.682 11.704 ( -6.474 -0.000 -1.766) 6.711 11.709 ( -3.683 -0.000 -0.344) 3.699 13.089 ( 6.372 0.000 -0.648) 6.405 13.151 ( 9.069 0.000 -0.573) 9.087 13.294 ( 2.468 0.000 -0.445) 2.508 13.323 ( -0.626 -0.000 0.191) 0.655 13.645 ( 3.460 0.000 -0.386) 3.481 13.778 ( 5.939 0.000 0.952) 6.014 13.882 ( 1.201 0.000 0.804) 1.445 13.919 ( 5.801 0.000 0.294) 5.808 14.080 ( -20.319 -0.000 -1.286) 20.359 14.385 ( -5.679 -0.000 -3.155) 6.497 14.443 ( -7.573 -0.000 -1.249) 7.675 14.525 ( -3.007 -0.000 0.077) 3.008 15.363 ( -1.832 -0.000 0.653) 1.945 15.530 ( -5.083 -0.000 -4.665) 6.900 15.765 ( -2.687 -0.000 2.450) 3.636 15.805 ( -3.680 -0.000 -1.846) 4.117 16.561 ( 0.506 0.000 0.292) 0.585 16.620 ( -4.020 -0.000 -4.154) 5.780 16.668 ( -5.172 -0.000 2.368) 5.689 16.917 ( -4.847 -0.000 -5.729) 7.505 19.415 ( 6.369 0.000 -3.762) 7.397 19.495 ( 6.564 0.000 2.318) 6.962 20.160 ( -0.207 -0.000 -4.453) 4.458 20.286 ( -5.379 -0.000 1.148) 5.500 21.488 ( 0.642 0.000 6.105) 6.139 21.517 ( 3.164 0.000 -6.202) 6.962 23.204 ( 0.466 0.000 7.122) 7.137 23.501 ( 0.087 0.000 -6.088) 6.089 26.732 ( 0.676 0.000 -0.132) 0.688 26.774 ( -0.571 -0.000 -0.022) 0.572 29.016 ( -5.412 -0.000 1.529) 5.624 29.274 ( -9.157 -0.000 -0.607) 9.177 29.888 ( -21.255 -0.000 7.117) 22.415 30.588 ( -2.888 -0.000 -22.359) 22.545 30.638 ( 4.420 0.000 1.397) 4.636 30.848 ( -3.244 -0.000 -7.354) 8.037 30.969 ( 3.733 0.000 1.432) 3.998 31.440 ( -18.570 -0.000 -25.306) 31.389 32.195 ( -1.149 -0.000 -0.531) 1.265 32.237 ( -3.753 -0.000 -0.320) 3.767 32.467 ( -4.719 -0.000 0.217) 4.724 32.533 ( -2.423 -0.000 1.880) 3.066 33.628 ( -1.966 -0.000 9.683) 9.881 33.980 ( 3.408 0.000 -9.047) 9.668 35.493 ( 2.562 0.000 3.747) 4.539 35.758 ( 2.237 0.000 4.915) 5.400 35.802 ( -0.663 -0.000 -2.585) 2.668 36.364 ( -3.034 -0.000 9.866) 10.322 36.365 ( -5.802 -0.000 0.400) 5.816 36.632 ( 2.067 0.000 -8.644) 8.887 38.344 ( 23.748 0.000 30.773) 38.871 38.833 ( 16.384 0.000 -8.436) 18.428 =================== 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 3/34560 10.0 3.179 1.905 1.379 -0.000 0.813 0.000 3/34560 20.0 1.428 0.981 1.093 -0.000 0.283 0.000 3/34560 30.0 1.057 0.826 0.923 -0.000 0.173 0.000 3/34560 40.0 0.890 0.737 0.802 -0.000 0.120 0.000 3/34560 50.0 0.787 0.666 0.710 -0.000 0.087 0.000 3/34560 60.0 0.718 0.608 0.638 -0.000 0.065 0.000 3/34560 70.0 0.669 0.561 0.580 -0.000 0.049 0.000 3/34560 80.0 0.634 0.524 0.532 -0.000 0.039 0.000 3/34560 90.0 0.610 0.494 0.493 -0.000 0.031 0.000 3/34560 100.0 0.592 0.472 0.459 -0.000 0.025 0.000 3/34560 110.0 0.578 0.455 0.430 -0.000 0.020 0.000 3/34560 120.0 0.567 0.441 0.405 -0.000 0.016 0.000 3/34560 130.0 0.558 0.430 0.383 -0.000 0.014 0.000 3/34560 140.0 0.550 0.421 0.363 -0.000 0.011 0.000 3/34560 150.0 0.542 0.413 0.347 -0.000 0.009 0.000 3/34560 160.0 0.534 0.406 0.332 -0.000 0.007 0.000 3/34560 170.0 0.526 0.400 0.319 -0.000 0.006 0.000 3/34560 180.0 0.518 0.394 0.308 -0.000 0.004 0.000 3/34560 190.0 0.510 0.388 0.298 -0.000 0.003 0.000 3/34560 200.0 0.502 0.383 0.290 -0.000 0.002 0.000 3/34560 210.0 0.494 0.377 0.283 -0.000 0.001 0.000 3/34560 220.0 0.487 0.372 0.277 -0.000 -0.000 0.000 3/34560 230.0 0.479 0.367 0.272 -0.000 -0.001 0.000 3/34560 240.0 0.472 0.362 0.268 -0.000 -0.002 0.000 3/34560 250.0 0.464 0.357 0.265 -0.000 -0.003 0.000 3/34560 260.0 0.457 0.352 0.262 -0.000 -0.004 0.000 3/34560 270.0 0.451 0.347 0.260 -0.000 -0.005 0.000 3/34560 280.0 0.444 0.343 0.259 -0.000 -0.006 0.000 3/34560 290.0 0.438 0.338 0.257 -0.000 -0.007 0.000 3/34560 300.0 0.431 0.334 0.257 -0.000 -0.008 0.000 3/34560 310.0 0.425 0.330 0.256 -0.000 -0.009 0.000 3/34560 320.0 0.419 0.325 0.256 -0.000 -0.010 0.000 3/34560 330.0 0.414 0.321 0.255 -0.000 -0.011 0.000 3/34560 340.0 0.408 0.317 0.255 -0.000 -0.012 0.000 3/34560 350.0 0.403 0.313 0.255 -0.000 -0.013 0.000 3/34560 360.0 0.397 0.309 0.255 -0.000 -0.013 0.000 3/34560 370.0 0.392 0.306 0.255 -0.000 -0.014 0.000 3/34560 380.0 0.387 0.302 0.255 -0.000 -0.015 0.000 3/34560 390.0 0.382 0.298 0.255 -0.000 -0.015 0.000 3/34560 400.0 0.377 0.295 0.255 -0.000 -0.016 0.000 3/34560 410.0 0.373 0.291 0.255 -0.000 -0.017 0.000 3/34560 420.0 0.368 0.288 0.255 -0.000 -0.017 0.000 3/34560 430.0 0.363 0.284 0.255 -0.000 -0.018 0.000 3/34560 440.0 0.359 0.281 0.255 -0.000 -0.018 0.000 3/34560 450.0 0.355 0.278 0.254 -0.000 -0.018 0.000 3/34560 460.0 0.350 0.275 0.254 -0.000 -0.019 0.000 3/34560 470.0 0.346 0.271 0.254 -0.000 -0.019 0.000 3/34560 480.0 0.342 0.268 0.253 -0.000 -0.020 0.000 3/34560 490.0 0.338 0.265 0.253 -0.000 -0.020 0.000 3/34560 500.0 0.334 0.262 0.252 -0.000 -0.020 0.000 3/34560 510.0 0.330 0.259 0.251 -0.000 -0.021 0.000 3/34560 520.0 0.326 0.256 0.250 -0.000 -0.021 0.000 3/34560 530.0 0.322 0.254 0.250 -0.000 -0.021 0.000 3/34560 540.0 0.319 0.251 0.249 -0.000 -0.021 0.000 3/34560 550.0 0.315 0.248 0.248 -0.000 -0.021 0.000 3/34560 560.0 0.312 0.245 0.247 -0.000 -0.022 0.000 3/34560 570.0 0.308 0.243 0.246 -0.000 -0.022 0.000 3/34560 580.0 0.305 0.240 0.245 -0.000 -0.022 0.000 3/34560 590.0 0.301 0.237 0.244 -0.000 -0.022 0.000 3/34560 600.0 0.298 0.235 0.243 -0.000 -0.022 0.000 3/34560 610.0 0.295 0.232 0.242 -0.000 -0.022 0.000 3/34560 620.0 0.292 0.230 0.240 -0.000 -0.022 0.000 3/34560 630.0 0.288 0.227 0.239 -0.000 -0.022 0.000 3/34560 640.0 0.285 0.225 0.238 -0.000 -0.022 0.000 3/34560 650.0 0.282 0.223 0.237 -0.000 -0.023 0.000 3/34560 660.0 0.279 0.220 0.235 -0.000 -0.023 0.000 3/34560 670.0 0.276 0.218 0.234 -0.000 -0.023 0.000 3/34560 680.0 0.273 0.216 0.233 -0.000 -0.023 0.000 3/34560 690.0 0.271 0.214 0.231 -0.000 -0.023 0.000 3/34560 700.0 0.268 0.212 0.230 -0.000 -0.023 0.000 3/34560 710.0 0.265 0.209 0.229 -0.000 -0.023 0.000 3/34560 720.0 0.262 0.207 0.227 -0.000 -0.023 0.000 3/34560 730.0 0.260 0.205 0.226 -0.000 -0.023 0.000 3/34560 740.0 0.257 0.203 0.224 -0.000 -0.023 0.000 3/34560 750.0 0.255 0.201 0.223 -0.000 -0.022 0.000 3/34560 760.0 0.252 0.199 0.222 -0.000 -0.022 0.000 3/34560 770.0 0.250 0.197 0.220 -0.000 -0.022 0.000 3/34560 780.0 0.247 0.196 0.219 -0.000 -0.022 0.000 3/34560 790.0 0.245 0.194 0.217 -0.000 -0.022 0.000 3/34560 800.0 0.242 0.192 0.216 -0.000 -0.022 0.000 3/34560 810.0 0.240 0.190 0.215 -0.000 -0.022 0.000 3/34560 820.0 0.238 0.188 0.213 -0.000 -0.022 0.000 3/34560 830.0 0.236 0.186 0.212 -0.000 -0.022 0.000 3/34560 840.0 0.233 0.185 0.210 -0.000 -0.022 0.000 3/34560 850.0 0.231 0.183 0.209 -0.000 -0.022 0.000 3/34560 860.0 0.229 0.181 0.208 -0.000 -0.022 0.000 3/34560 870.0 0.227 0.180 0.206 -0.000 -0.022 0.000 3/34560 880.0 0.225 0.178 0.205 -0.000 -0.022 0.000 3/34560 890.0 0.223 0.177 0.203 -0.000 -0.021 0.000 3/34560 900.0 0.221 0.175 0.202 -0.000 -0.021 0.000 3/34560 910.0 0.219 0.173 0.201 -0.000 -0.021 0.000 3/34560 920.0 0.217 0.172 0.199 -0.000 -0.021 0.000 3/34560 930.0 0.215 0.170 0.198 -0.000 -0.021 0.000 3/34560 940.0 0.213 0.169 0.197 -0.000 -0.021 0.000 3/34560 950.0 0.211 0.167 0.195 -0.000 -0.021 0.000 3/34560 960.0 0.209 0.166 0.194 -0.000 -0.021 0.000 3/34560 970.0 0.208 0.165 0.193 -0.000 -0.021 0.000 3/34560 980.0 0.206 0.163 0.191 -0.000 -0.021 0.000 3/34560 990.0 0.204 0.162 0.190 -0.000 -0.021 0.000 3/34560 1000.0 0.202 0.161 0.189 -0.000 -0.020 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:34:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|