----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.234666050000000 Atomic positions (fractional): *1 O 0.48749885550512 0.46976634879395 0.21233986550633 15.999 2 O 0.01250114449488 0.53023365120605 0.71233986550633 15.999 3 O 0.98749885550512 0.03023365120605 0.28766013449367 15.999 4 O 0.51250114449488 0.96976634879395 0.78766013449367 15.999 5 O 0.51250114449488 0.53023365120605 0.78766013449367 15.999 6 O 0.98749885550512 0.46976634879395 0.28766013449367 15.999 7 O 0.01250114449488 0.96976634879395 0.71233986550633 15.999 8 O 0.48749885550512 0.03023365120605 0.21233986550633 15.999 *9 O 0.46389357812562 0.32484635013115 0.21976842123603 15.999 10 O 0.03610642187438 0.67515364986884 0.71976842123603 15.999 11 O 0.96389357812562 0.17515364986884 0.28023157876397 15.999 12 O 0.53610642187438 0.82484635013116 0.78023157876397 15.999 13 O 0.53610642187438 0.67515364986884 0.78023157876397 15.999 14 O 0.96389357812562 0.32484635013115 0.28023157876397 15.999 15 O 0.03610642187438 0.82484635013116 0.71976842123603 15.999 16 O 0.46389357812562 0.17515364986884 0.21976842123603 15.999 *17 O 0.30204708889185 0.40436512703059 0.55083194109507 15.999 18 O 0.19795291110815 0.59563487296941 0.05083194109507 15.999 19 O 0.80204708889185 0.09563487296941 0.94916805890493 15.999 20 O 0.69795291110815 0.90436512703059 0.44916805890493 15.999 21 O 0.69795291110815 0.59563487296941 0.44916805890493 15.999 22 O 0.80204708889185 0.40436512703059 0.94916805890493 15.999 23 O 0.19795291110815 0.90436512703059 0.05083194109507 15.999 24 O 0.30204708889185 0.09563487296941 0.55083194109507 15.999 *25 O 0.16200235682828 0.11938500694766 0.96994633689335 15.999 26 O 0.33799764317172 0.88061499305235 0.46994633689335 15.999 27 O 0.66200235682828 0.38061499305234 0.53005366310665 15.999 28 O 0.83799764317172 0.61938500694765 0.03005366310665 15.999 29 O 0.83799764317172 0.88061499305235 0.03005366310665 15.999 30 O 0.66200235682828 0.11938500694766 0.53005366310665 15.999 31 O 0.33799764317172 0.61938500694765 0.46994633689335 15.999 32 O 0.16200235682828 0.38061499305234 0.96994633689335 15.999 *33 Si 0.47431305499627 0.09997297608485 0.37756497455123 28.085 34 Si 0.02568694500373 0.90002702391515 0.87756497455123 28.085 35 Si 0.97431305499627 0.40002702391515 0.12243502544877 28.085 36 Si 0.52568694500373 0.59997297608485 0.62243502544877 28.085 37 Si 0.47431305499627 0.40002702391515 0.37756497455123 28.085 38 Si 0.02568694500373 0.59997297608485 0.87756497455123 28.085 39 Si 0.97431305499627 0.09997297608485 0.12243502544877 28.085 40 Si 0.52568694500373 0.90002702391515 0.62243502544877 28.085 *41 Cl 0.44632341917364 0.25000000000000 0.75500478242897 35.453 42 Cl 0.05367658082636 0.75000000000000 0.25500478242897 35.453 43 Cl 0.94632341917364 0.25000000000000 0.74499521757103 35.453 44 Cl 0.55367658082636 0.75000000000000 0.24499521757103 35.453 *45 Sm 0.48360630386954 0.40793632643968 0.87354591036128 150.360 46 Sm 0.01639369613046 0.59206367356032 0.37354591036128 150.360 47 Sm 0.98360630386954 0.09206367356032 0.62645408963872 150.360 48 Sm 0.51639369613046 0.90793632643968 0.12645408963872 150.360 49 Sm 0.51639369613046 0.59206367356032 0.12645408963872 150.360 50 Sm 0.98360630386954 0.40793632643968 0.62645408963872 150.360 51 Sm 0.01639369613046 0.90793632643968 0.37354591036128 150.360 52 Sm 0.48360630386954 0.09206367356032 0.87354591036128 150.360 *53 Sm 0.79837951930366 0.75000000000000 0.88514540436430 150.360 54 Sm 0.70162048069634 0.25000000000000 0.38514540436430 150.360 55 Sm 0.29837951930366 0.75000000000000 0.61485459563570 150.360 56 Sm 0.20162048069634 0.25000000000000 0.11485459563570 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.234666050000000 Atomic positions (fractional): *1 O 0.48749885550512 0.46976634879395 0.21233986550633 15.999 > 1 2 O 0.01250114449488 0.53023365120605 0.71233986550633 15.999 > 2 3 O 0.98749885550512 0.03023365120605 0.28766013449367 15.999 > 3 4 O 0.51250114449488 0.96976634879395 0.78766013449367 15.999 > 4 5 O 0.51250114449488 0.53023365120605 0.78766013449367 15.999 > 5 6 O 0.98749885550512 0.46976634879395 0.28766013449367 15.999 > 6 7 O 0.01250114449488 0.96976634879395 0.71233986550633 15.999 > 7 8 O 0.48749885550512 0.03023365120605 0.21233986550633 15.999 > 8 *9 O 0.46389357812562 0.32484635013115 0.21976842123603 15.999 > 9 10 O 0.03610642187438 0.67515364986884 0.71976842123603 15.999 > 10 11 O 0.96389357812562 0.17515364986884 0.28023157876397 15.999 > 11 12 O 0.53610642187438 0.82484635013116 0.78023157876397 15.999 > 12 13 O 0.53610642187438 0.67515364986884 0.78023157876397 15.999 > 13 14 O 0.96389357812562 0.32484635013115 0.28023157876397 15.999 > 14 15 O 0.03610642187438 0.82484635013116 0.71976842123603 15.999 > 15 16 O 0.46389357812562 0.17515364986884 0.21976842123603 15.999 > 16 *17 O 0.30204708889185 0.40436512703059 0.55083194109507 15.999 > 17 18 O 0.19795291110815 0.59563487296941 0.05083194109507 15.999 > 18 19 O 0.80204708889185 0.09563487296941 0.94916805890493 15.999 > 19 20 O 0.69795291110815 0.90436512703059 0.44916805890493 15.999 > 20 21 O 0.69795291110815 0.59563487296941 0.44916805890493 15.999 > 21 22 O 0.80204708889185 0.40436512703059 0.94916805890493 15.999 > 22 23 O 0.19795291110815 0.90436512703059 0.05083194109507 15.999 > 23 24 O 0.30204708889185 0.09563487296941 0.55083194109507 15.999 > 24 *25 O 0.16200235682828 0.11938500694766 0.96994633689335 15.999 > 25 26 O 0.33799764317172 0.88061499305235 0.46994633689335 15.999 > 26 27 O 0.66200235682828 0.38061499305234 0.53005366310665 15.999 > 27 28 O 0.83799764317172 0.61938500694765 0.03005366310665 15.999 > 28 29 O 0.83799764317172 0.88061499305235 0.03005366310665 15.999 > 29 30 O 0.66200235682828 0.11938500694766 0.53005366310665 15.999 > 30 31 O 0.33799764317172 0.61938500694765 0.46994633689335 15.999 > 31 32 O 0.16200235682828 0.38061499305234 0.96994633689335 15.999 > 32 *33 Si 0.47431305499627 0.09997297608485 0.37756497455123 28.085 > 33 34 Si 0.02568694500373 0.90002702391515 0.87756497455123 28.085 > 34 35 Si 0.97431305499627 0.40002702391515 0.12243502544877 28.085 > 35 36 Si 0.52568694500373 0.59997297608485 0.62243502544877 28.085 > 36 37 Si 0.47431305499627 0.40002702391515 0.37756497455123 28.085 > 37 38 Si 0.02568694500373 0.59997297608485 0.87756497455123 28.085 > 38 39 Si 0.97431305499627 0.09997297608485 0.12243502544877 28.085 > 39 40 Si 0.52568694500373 0.90002702391515 0.62243502544877 28.085 > 40 *41 Cl 0.44632341917364 0.25000000000000 0.75500478242897 35.453 > 41 42 Cl 0.05367658082636 0.75000000000000 0.25500478242897 35.453 > 42 43 Cl 0.94632341917364 0.25000000000000 0.74499521757103 35.453 > 43 44 Cl 0.55367658082636 0.75000000000000 0.24499521757103 35.453 > 44 *45 Sm 0.48360630386954 0.40793632643968 0.87354591036128 150.360 > 45 46 Sm 0.01639369613046 0.59206367356032 0.37354591036128 150.360 > 46 47 Sm 0.98360630386954 0.09206367356032 0.62645408963872 150.360 > 47 48 Sm 0.51639369613046 0.90793632643968 0.12645408963872 150.360 > 48 49 Sm 0.51639369613046 0.59206367356032 0.12645408963872 150.360 > 49 50 Sm 0.98360630386954 0.40793632643968 0.62645408963872 150.360 > 50 51 Sm 0.01639369613046 0.90793632643968 0.37354591036128 150.360 > 51 52 Sm 0.48360630386954 0.09206367356032 0.87354591036128 150.360 > 52 *53 Sm 0.79837951930366 0.75000000000000 0.88514540436430 150.360 > 53 54 Sm 0.70162048069634 0.25000000000000 0.38514540436430 150.360 > 54 55 Sm 0.29837951930366 0.75000000000000 0.61485459563570 150.360 > 55 56 Sm 0.20162048069634 0.25000000000000 0.11485459563570 150.360 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.469332100000001 Atomic positions (fractional): *1 O 0.48749885550512 0.46976634879395 0.10616993275316 15.999 > 1 2 O 0.48749885550512 0.46976634879395 0.60616993275316 15.999 > 1 3 O 0.01250114449488 0.53023365120605 0.35616993275316 15.999 > 2 4 O 0.01250114449488 0.53023365120605 0.85616993275316 15.999 > 2 5 O 0.98749885550512 0.03023365120605 0.14383006724684 15.999 > 3 6 O 0.98749885550512 0.03023365120605 0.64383006724684 15.999 > 3 7 O 0.51250114449488 0.96976634879395 0.39383006724684 15.999 > 4 8 O 0.51250114449488 0.96976634879395 0.89383006724684 15.999 > 4 9 O 0.51250114449488 0.53023365120605 0.39383006724684 15.999 > 5 10 O 0.51250114449488 0.53023365120605 0.89383006724684 15.999 > 5 11 O 0.98749885550512 0.46976634879395 0.14383006724684 15.999 > 6 12 O 0.98749885550512 0.46976634879395 0.64383006724684 15.999 > 6 13 O 0.01250114449488 0.96976634879395 0.35616993275316 15.999 > 7 14 O 0.01250114449488 0.96976634879395 0.85616993275316 15.999 > 7 15 O 0.48749885550512 0.03023365120605 0.10616993275316 15.999 > 8 16 O 0.48749885550512 0.03023365120605 0.60616993275316 15.999 > 8 *17 O 0.46389357812562 0.32484635013115 0.10988421061801 15.999 > 9 18 O 0.46389357812562 0.32484635013115 0.60988421061801 15.999 > 9 19 O 0.03610642187438 0.67515364986884 0.35988421061801 15.999 > 10 20 O 0.03610642187438 0.67515364986884 0.85988421061801 15.999 > 10 21 O 0.96389357812562 0.17515364986884 0.14011578938199 15.999 > 11 22 O 0.96389357812562 0.17515364986884 0.64011578938199 15.999 > 11 23 O 0.53610642187438 0.82484635013116 0.39011578938199 15.999 > 12 24 O 0.53610642187438 0.82484635013116 0.89011578938199 15.999 > 12 25 O 0.53610642187438 0.67515364986884 0.39011578938199 15.999 > 13 26 O 0.53610642187438 0.67515364986884 0.89011578938199 15.999 > 13 27 O 0.96389357812562 0.32484635013115 0.14011578938199 15.999 > 14 28 O 0.96389357812562 0.32484635013115 0.64011578938199 15.999 > 14 29 O 0.03610642187438 0.82484635013116 0.35988421061801 15.999 > 15 30 O 0.03610642187438 0.82484635013116 0.85988421061801 15.999 > 15 31 O 0.46389357812562 0.17515364986884 0.10988421061801 15.999 > 16 32 O 0.46389357812562 0.17515364986884 0.60988421061801 15.999 > 16 *33 O 0.30204708889185 0.40436512703059 0.27541597054753 15.999 > 17 34 O 0.30204708889185 0.40436512703059 0.77541597054753 15.999 > 17 35 O 0.19795291110815 0.59563487296941 0.02541597054753 15.999 > 18 36 O 0.19795291110815 0.59563487296941 0.52541597054753 15.999 > 18 37 O 0.80204708889185 0.09563487296941 0.47458402945247 15.999 > 19 38 O 0.80204708889185 0.09563487296941 0.97458402945247 15.999 > 19 39 O 0.69795291110815 0.90436512703059 0.22458402945247 15.999 > 20 40 O 0.69795291110815 0.90436512703059 0.72458402945247 15.999 > 20 41 O 0.69795291110815 0.59563487296941 0.22458402945247 15.999 > 21 42 O 0.69795291110815 0.59563487296941 0.72458402945247 15.999 > 21 43 O 0.80204708889185 0.40436512703059 0.47458402945247 15.999 > 22 44 O 0.80204708889185 0.40436512703059 0.97458402945247 15.999 > 22 45 O 0.19795291110815 0.90436512703059 0.02541597054753 15.999 > 23 46 O 0.19795291110815 0.90436512703059 0.52541597054753 15.999 > 23 47 O 0.30204708889185 0.09563487296941 0.27541597054753 15.999 > 24 48 O 0.30204708889185 0.09563487296941 0.77541597054753 15.999 > 24 *49 O 0.16200235682828 0.11938500694766 0.48497316844667 15.999 > 25 50 O 0.16200235682828 0.11938500694766 0.98497316844667 15.999 > 25 51 O 0.33799764317172 0.88061499305235 0.23497316844668 15.999 > 26 52 O 0.33799764317172 0.88061499305235 0.73497316844668 15.999 > 26 53 O 0.66200235682828 0.38061499305234 0.26502683155333 15.999 > 27 54 O 0.66200235682828 0.38061499305234 0.76502683155333 15.999 > 27 55 O 0.83799764317172 0.61938500694765 0.01502683155333 15.999 > 28 56 O 0.83799764317172 0.61938500694765 0.51502683155333 15.999 > 28 57 O 0.83799764317172 0.88061499305235 0.01502683155333 15.999 > 29 58 O 0.83799764317172 0.88061499305235 0.51502683155333 15.999 > 29 59 O 0.66200235682828 0.11938500694766 0.26502683155333 15.999 > 30 60 O 0.66200235682828 0.11938500694766 0.76502683155333 15.999 > 30 61 O 0.33799764317172 0.61938500694765 0.23497316844668 15.999 > 31 62 O 0.33799764317172 0.61938500694765 0.73497316844668 15.999 > 31 63 O 0.16200235682828 0.38061499305234 0.48497316844667 15.999 > 32 64 O 0.16200235682828 0.38061499305234 0.98497316844667 15.999 > 32 *65 Si 0.47431305499627 0.09997297608485 0.18878248727562 28.085 > 33 66 Si 0.47431305499627 0.09997297608485 0.68878248727562 28.085 > 33 67 Si 0.02568694500373 0.90002702391515 0.43878248727562 28.085 > 34 68 Si 0.02568694500373 0.90002702391515 0.93878248727562 28.085 > 34 69 Si 0.97431305499627 0.40002702391515 0.06121751272438 28.085 > 35 70 Si 0.97431305499627 0.40002702391515 0.56121751272438 28.085 > 35 71 Si 0.52568694500373 0.59997297608485 0.31121751272438 28.085 > 36 72 Si 0.52568694500373 0.59997297608485 0.81121751272438 28.085 > 36 73 Si 0.47431305499627 0.40002702391515 0.18878248727562 28.085 > 37 74 Si 0.47431305499627 0.40002702391515 0.68878248727562 28.085 > 37 75 Si 0.02568694500373 0.59997297608485 0.43878248727562 28.085 > 38 76 Si 0.02568694500373 0.59997297608485 0.93878248727562 28.085 > 38 77 Si 0.97431305499627 0.09997297608485 0.06121751272438 28.085 > 39 78 Si 0.97431305499627 0.09997297608485 0.56121751272438 28.085 > 39 79 Si 0.52568694500373 0.90002702391515 0.31121751272438 28.085 > 40 80 Si 0.52568694500373 0.90002702391515 0.81121751272438 28.085 > 40 *81 Cl 0.44632341917364 0.25000000000000 0.37750239121449 35.453 > 41 82 Cl 0.44632341917364 0.25000000000000 0.87750239121449 35.453 > 41 83 Cl 0.05367658082636 0.75000000000000 0.12750239121449 35.453 > 42 84 Cl 0.05367658082636 0.75000000000000 0.62750239121449 35.453 > 42 85 Cl 0.94632341917364 0.25000000000000 0.37249760878551 35.453 > 43 86 Cl 0.94632341917364 0.25000000000000 0.87249760878551 35.453 > 43 87 Cl 0.55367658082636 0.75000000000000 0.12249760878551 35.453 > 44 88 Cl 0.55367658082636 0.75000000000000 0.62249760878551 35.453 > 44 *89 Sm 0.48360630386954 0.40793632643968 0.43677295518064 150.360 > 45 90 Sm 0.48360630386954 0.40793632643968 0.93677295518064 150.360 > 45 91 Sm 0.01639369613046 0.59206367356032 0.18677295518064 150.360 > 46 92 Sm 0.01639369613046 0.59206367356032 0.68677295518064 150.360 > 46 93 Sm 0.98360630386954 0.09206367356032 0.31322704481936 150.360 > 47 94 Sm 0.98360630386954 0.09206367356032 0.81322704481936 150.360 > 47 95 Sm 0.51639369613046 0.90793632643968 0.06322704481936 150.360 > 48 96 Sm 0.51639369613046 0.90793632643968 0.56322704481936 150.360 > 48 97 Sm 0.51639369613046 0.59206367356032 0.06322704481936 150.360 > 49 98 Sm 0.51639369613046 0.59206367356032 0.56322704481936 150.360 > 49 99 Sm 0.98360630386954 0.40793632643968 0.31322704481936 150.360 > 50 100 Sm 0.98360630386954 0.40793632643968 0.81322704481936 150.360 > 50 101 Sm 0.01639369613046 0.90793632643968 0.18677295518064 150.360 > 51 102 Sm 0.01639369613046 0.90793632643968 0.68677295518064 150.360 > 51 103 Sm 0.48360630386954 0.09206367356032 0.43677295518064 150.360 > 52 104 Sm 0.48360630386954 0.09206367356032 0.93677295518064 150.360 > 52 *105 Sm 0.79837951930366 0.75000000000000 0.44257270218215 150.360 > 53 106 Sm 0.79837951930366 0.75000000000000 0.94257270218215 150.360 > 53 107 Sm 0.70162048069634 0.25000000000000 0.19257270218215 150.360 > 54 108 Sm 0.70162048069634 0.25000000000000 0.69257270218215 150.360 > 54 109 Sm 0.29837951930366 0.75000000000000 0.30742729781785 150.360 > 55 110 Sm 0.29837951930366 0.75000000000000 0.80742729781785 150.360 > 55 111 Sm 0.20162048069634 0.25000000000000 0.05742729781785 150.360 > 56 112 Sm 0.20162048069634 0.25000000000000 0.55742729781785 150.360 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6541204 0.0000000 0.0000000 0.0000000 3.6956970 0.0000000 0.0000000 0.0000000 3.7079201 -------------------------- Born effective charges -------------------------- 1 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 2 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 3 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 4 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 5 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 6 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 7 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 8 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 9 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 10 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 11 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 12 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 13 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 14 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 15 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 16 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 17 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 18 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 19 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 20 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 21 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 22 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 23 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 24 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 25 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 26 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 27 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 28 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 29 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 30 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 31 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 32 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 33 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 34 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 35 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 36 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 37 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 38 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 39 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 40 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 41 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 42 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 43 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 44 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 45 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 46 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 47 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 48 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 49 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 50 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 51 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 52 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 53 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 54 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 55 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 56 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 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: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.885 Solver_block: 200 / 880 - Time: 0.804 Solver_block: 300 / 880 - Time: 0.798 Solver_block: 400 / 880 - Time: 0.804 Solver_block: 500 / 880 - Time: 0.799 Solver_block: 600 / 880 - Time: 0.803 Solver_block: 700 / 880 - Time: 0.795 Solver_block: 800 / 880 - Time: 0.802 Solver_block: 880 / 880 - Time: 0.672 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.337 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 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: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 05:31:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.234666050000000 Atomic positions (fractional): 1 O 0.48749885550512 0.46976634879395 0.21233986550633 15.999 2 O 0.01250114449488 0.53023365120605 0.71233986550633 15.999 3 O 0.98749885550512 0.03023365120605 0.28766013449367 15.999 4 O 0.51250114449488 0.96976634879395 0.78766013449367 15.999 5 O 0.51250114449488 0.53023365120605 0.78766013449367 15.999 6 O 0.98749885550512 0.46976634879395 0.28766013449367 15.999 7 O 0.01250114449488 0.96976634879395 0.71233986550633 15.999 8 O 0.48749885550512 0.03023365120605 0.21233986550633 15.999 9 O 0.46389357812562 0.32484635013115 0.21976842123603 15.999 10 O 0.03610642187438 0.67515364986884 0.71976842123603 15.999 11 O 0.96389357812562 0.17515364986884 0.28023157876397 15.999 12 O 0.53610642187438 0.82484635013116 0.78023157876397 15.999 13 O 0.53610642187438 0.67515364986884 0.78023157876397 15.999 14 O 0.96389357812562 0.32484635013115 0.28023157876397 15.999 15 O 0.03610642187438 0.82484635013116 0.71976842123603 15.999 16 O 0.46389357812562 0.17515364986884 0.21976842123603 15.999 17 O 0.30204708889185 0.40436512703059 0.55083194109507 15.999 18 O 0.19795291110815 0.59563487296941 0.05083194109507 15.999 19 O 0.80204708889185 0.09563487296941 0.94916805890493 15.999 20 O 0.69795291110815 0.90436512703059 0.44916805890493 15.999 21 O 0.69795291110815 0.59563487296941 0.44916805890493 15.999 22 O 0.80204708889185 0.40436512703059 0.94916805890493 15.999 23 O 0.19795291110815 0.90436512703059 0.05083194109507 15.999 24 O 0.30204708889185 0.09563487296941 0.55083194109507 15.999 25 O 0.16200235682828 0.11938500694766 0.96994633689335 15.999 26 O 0.33799764317172 0.88061499305235 0.46994633689335 15.999 27 O 0.66200235682828 0.38061499305234 0.53005366310665 15.999 28 O 0.83799764317172 0.61938500694765 0.03005366310665 15.999 29 O 0.83799764317172 0.88061499305235 0.03005366310665 15.999 30 O 0.66200235682828 0.11938500694766 0.53005366310665 15.999 31 O 0.33799764317172 0.61938500694765 0.46994633689335 15.999 32 O 0.16200235682828 0.38061499305234 0.96994633689335 15.999 33 Si 0.47431305499627 0.09997297608485 0.37756497455123 28.085 34 Si 0.02568694500373 0.90002702391515 0.87756497455123 28.085 35 Si 0.97431305499627 0.40002702391515 0.12243502544877 28.085 36 Si 0.52568694500373 0.59997297608485 0.62243502544877 28.085 37 Si 0.47431305499627 0.40002702391515 0.37756497455123 28.085 38 Si 0.02568694500373 0.59997297608485 0.87756497455123 28.085 39 Si 0.97431305499627 0.09997297608485 0.12243502544877 28.085 40 Si 0.52568694500373 0.90002702391515 0.62243502544877 28.085 41 Cl 0.44632341917364 0.25000000000000 0.75500478242897 35.453 42 Cl 0.05367658082636 0.75000000000000 0.25500478242897 35.453 43 Cl 0.94632341917364 0.25000000000000 0.74499521757103 35.453 44 Cl 0.55367658082636 0.75000000000000 0.24499521757103 35.453 45 Sm 0.48360630386954 0.40793632643968 0.87354591036128 150.360 46 Sm 0.01639369613046 0.59206367356032 0.37354591036128 150.360 47 Sm 0.98360630386954 0.09206367356032 0.62645408963872 150.360 48 Sm 0.51639369613046 0.90793632643968 0.12645408963872 150.360 49 Sm 0.51639369613046 0.59206367356032 0.12645408963872 150.360 50 Sm 0.98360630386954 0.40793632643968 0.62645408963872 150.360 51 Sm 0.01639369613046 0.90793632643968 0.37354591036128 150.360 52 Sm 0.48360630386954 0.09206367356032 0.87354591036128 150.360 53 Sm 0.79837951930366 0.75000000000000 0.88514540436430 150.360 54 Sm 0.70162048069634 0.25000000000000 0.38514540436430 150.360 55 Sm 0.29837951930366 0.75000000000000 0.61485459563570 150.360 56 Sm 0.20162048069634 0.25000000000000 0.11485459563570 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.469332100000001 Atomic positions (fractional): 1 O 0.48749885550512 0.46976634879395 0.10616993275316 15.999 > 1 2 O 0.48749885550512 0.46976634879395 0.60616993275316 15.999 > 1 3 O 0.01250114449488 0.53023365120605 0.35616993275316 15.999 > 3 4 O 0.01250114449488 0.53023365120605 0.85616993275316 15.999 > 3 5 O 0.98749885550512 0.03023365120605 0.14383006724684 15.999 > 5 6 O 0.98749885550512 0.03023365120605 0.64383006724684 15.999 > 5 7 O 0.51250114449488 0.96976634879395 0.39383006724684 15.999 > 7 8 O 0.51250114449488 0.96976634879395 0.89383006724684 15.999 > 7 9 O 0.51250114449488 0.53023365120605 0.39383006724684 15.999 > 9 10 O 0.51250114449488 0.53023365120605 0.89383006724684 15.999 > 9 11 O 0.98749885550512 0.46976634879395 0.14383006724684 15.999 > 11 12 O 0.98749885550512 0.46976634879395 0.64383006724684 15.999 > 11 13 O 0.01250114449488 0.96976634879395 0.35616993275316 15.999 > 13 14 O 0.01250114449488 0.96976634879395 0.85616993275316 15.999 > 13 15 O 0.48749885550512 0.03023365120605 0.10616993275316 15.999 > 15 16 O 0.48749885550512 0.03023365120605 0.60616993275316 15.999 > 15 17 O 0.46389357812562 0.32484635013115 0.10988421061801 15.999 > 17 18 O 0.46389357812562 0.32484635013115 0.60988421061801 15.999 > 17 19 O 0.03610642187438 0.67515364986884 0.35988421061801 15.999 > 19 20 O 0.03610642187438 0.67515364986884 0.85988421061801 15.999 > 19 21 O 0.96389357812562 0.17515364986884 0.14011578938199 15.999 > 21 22 O 0.96389357812562 0.17515364986884 0.64011578938199 15.999 > 21 23 O 0.53610642187438 0.82484635013116 0.39011578938199 15.999 > 23 24 O 0.53610642187438 0.82484635013116 0.89011578938199 15.999 > 23 25 O 0.53610642187438 0.67515364986884 0.39011578938199 15.999 > 25 26 O 0.53610642187438 0.67515364986884 0.89011578938199 15.999 > 25 27 O 0.96389357812562 0.32484635013115 0.14011578938199 15.999 > 27 28 O 0.96389357812562 0.32484635013115 0.64011578938199 15.999 > 27 29 O 0.03610642187438 0.82484635013116 0.35988421061801 15.999 > 29 30 O 0.03610642187438 0.82484635013116 0.85988421061801 15.999 > 29 31 O 0.46389357812562 0.17515364986884 0.10988421061801 15.999 > 31 32 O 0.46389357812562 0.17515364986884 0.60988421061801 15.999 > 31 33 O 0.30204708889185 0.40436512703059 0.27541597054753 15.999 > 33 34 O 0.30204708889185 0.40436512703059 0.77541597054753 15.999 > 33 35 O 0.19795291110815 0.59563487296941 0.02541597054753 15.999 > 35 36 O 0.19795291110815 0.59563487296941 0.52541597054753 15.999 > 35 37 O 0.80204708889185 0.09563487296941 0.47458402945247 15.999 > 37 38 O 0.80204708889185 0.09563487296941 0.97458402945247 15.999 > 37 39 O 0.69795291110815 0.90436512703059 0.22458402945247 15.999 > 39 40 O 0.69795291110815 0.90436512703059 0.72458402945247 15.999 > 39 41 O 0.69795291110815 0.59563487296941 0.22458402945247 15.999 > 41 42 O 0.69795291110815 0.59563487296941 0.72458402945247 15.999 > 41 43 O 0.80204708889185 0.40436512703059 0.47458402945247 15.999 > 43 44 O 0.80204708889185 0.40436512703059 0.97458402945247 15.999 > 43 45 O 0.19795291110815 0.90436512703059 0.02541597054753 15.999 > 45 46 O 0.19795291110815 0.90436512703059 0.52541597054753 15.999 > 45 47 O 0.30204708889185 0.09563487296941 0.27541597054753 15.999 > 47 48 O 0.30204708889185 0.09563487296941 0.77541597054753 15.999 > 47 49 O 0.16200235682828 0.11938500694766 0.48497316844667 15.999 > 49 50 O 0.16200235682828 0.11938500694766 0.98497316844667 15.999 > 49 51 O 0.33799764317172 0.88061499305235 0.23497316844668 15.999 > 51 52 O 0.33799764317172 0.88061499305235 0.73497316844668 15.999 > 51 53 O 0.66200235682828 0.38061499305234 0.26502683155333 15.999 > 53 54 O 0.66200235682828 0.38061499305234 0.76502683155333 15.999 > 53 55 O 0.83799764317172 0.61938500694765 0.01502683155333 15.999 > 55 56 O 0.83799764317172 0.61938500694765 0.51502683155333 15.999 > 55 57 O 0.83799764317172 0.88061499305235 0.01502683155333 15.999 > 57 58 O 0.83799764317172 0.88061499305235 0.51502683155333 15.999 > 57 59 O 0.66200235682828 0.11938500694766 0.26502683155333 15.999 > 59 60 O 0.66200235682828 0.11938500694766 0.76502683155333 15.999 > 59 61 O 0.33799764317172 0.61938500694765 0.23497316844668 15.999 > 61 62 O 0.33799764317172 0.61938500694765 0.73497316844668 15.999 > 61 63 O 0.16200235682828 0.38061499305234 0.48497316844667 15.999 > 63 64 O 0.16200235682828 0.38061499305234 0.98497316844667 15.999 > 63 65 Si 0.47431305499627 0.09997297608485 0.18878248727562 28.085 > 65 66 Si 0.47431305499627 0.09997297608485 0.68878248727562 28.085 > 65 67 Si 0.02568694500373 0.90002702391515 0.43878248727562 28.085 > 67 68 Si 0.02568694500373 0.90002702391515 0.93878248727562 28.085 > 67 69 Si 0.97431305499627 0.40002702391515 0.06121751272438 28.085 > 69 70 Si 0.97431305499627 0.40002702391515 0.56121751272438 28.085 > 69 71 Si 0.52568694500373 0.59997297608485 0.31121751272438 28.085 > 71 72 Si 0.52568694500373 0.59997297608485 0.81121751272438 28.085 > 71 73 Si 0.47431305499627 0.40002702391515 0.18878248727562 28.085 > 73 74 Si 0.47431305499627 0.40002702391515 0.68878248727562 28.085 > 73 75 Si 0.02568694500373 0.59997297608485 0.43878248727562 28.085 > 75 76 Si 0.02568694500373 0.59997297608485 0.93878248727562 28.085 > 75 77 Si 0.97431305499627 0.09997297608485 0.06121751272438 28.085 > 77 78 Si 0.97431305499627 0.09997297608485 0.56121751272438 28.085 > 77 79 Si 0.52568694500373 0.90002702391515 0.31121751272438 28.085 > 79 80 Si 0.52568694500373 0.90002702391515 0.81121751272438 28.085 > 79 81 Cl 0.44632341917364 0.25000000000000 0.37750239121449 35.453 > 81 82 Cl 0.44632341917364 0.25000000000000 0.87750239121449 35.453 > 81 83 Cl 0.05367658082636 0.75000000000000 0.12750239121449 35.453 > 83 84 Cl 0.05367658082636 0.75000000000000 0.62750239121449 35.453 > 83 85 Cl 0.94632341917364 0.25000000000000 0.37249760878551 35.453 > 85 86 Cl 0.94632341917364 0.25000000000000 0.87249760878551 35.453 > 85 87 Cl 0.55367658082636 0.75000000000000 0.12249760878551 35.453 > 87 88 Cl 0.55367658082636 0.75000000000000 0.62249760878551 35.453 > 87 89 Sm 0.48360630386954 0.40793632643968 0.43677295518064 150.360 > 89 90 Sm 0.48360630386954 0.40793632643968 0.93677295518064 150.360 > 89 91 Sm 0.01639369613046 0.59206367356032 0.18677295518064 150.360 > 91 92 Sm 0.01639369613046 0.59206367356032 0.68677295518064 150.360 > 91 93 Sm 0.98360630386954 0.09206367356032 0.31322704481936 150.360 > 93 94 Sm 0.98360630386954 0.09206367356032 0.81322704481936 150.360 > 93 95 Sm 0.51639369613046 0.90793632643968 0.06322704481936 150.360 > 95 96 Sm 0.51639369613046 0.90793632643968 0.56322704481936 150.360 > 95 97 Sm 0.51639369613046 0.59206367356032 0.06322704481936 150.360 > 97 98 Sm 0.51639369613046 0.59206367356032 0.56322704481936 150.360 > 97 99 Sm 0.98360630386954 0.40793632643968 0.31322704481936 150.360 > 99 100 Sm 0.98360630386954 0.40793632643968 0.81322704481936 150.360 > 99 101 Sm 0.01639369613046 0.90793632643968 0.18677295518064 150.360 > 101 102 Sm 0.01639369613046 0.90793632643968 0.68677295518064 150.360 > 101 103 Sm 0.48360630386954 0.09206367356032 0.43677295518064 150.360 > 103 104 Sm 0.48360630386954 0.09206367356032 0.93677295518064 150.360 > 103 105 Sm 0.79837951930366 0.75000000000000 0.44257270218215 150.360 > 105 106 Sm 0.79837951930366 0.75000000000000 0.94257270218215 150.360 > 105 107 Sm 0.70162048069634 0.25000000000000 0.19257270218215 150.360 > 107 108 Sm 0.70162048069634 0.25000000000000 0.69257270218215 150.360 > 107 109 Sm 0.29837951930366 0.75000000000000 0.30742729781785 150.360 > 109 110 Sm 0.29837951930366 0.75000000000000 0.80742729781785 150.360 > 109 111 Sm 0.20162048069634 0.25000000000000 0.05742729781785 150.360 > 111 112 Sm 0.20162048069634 0.25000000000000 0.55742729781785 150.360 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6541204 0.0000000 0.0000000 0.0000000 3.6956970 0.0000000 0.0000000 0.0000000 3.7079201 -------------------------- Born effective charges -------------------------- 1 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 2 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 3 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 4 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 5 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 6 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 7 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 8 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 9 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 10 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 11 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 12 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 13 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 14 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 15 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 16 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 17 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 18 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 19 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 20 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 21 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 22 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 23 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 24 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 25 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 26 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 27 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 28 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 29 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 30 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 31 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 32 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 33 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 34 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 35 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 36 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 37 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 38 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 39 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 40 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 41 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 42 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 43 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 44 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 45 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 46 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 47 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 48 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 49 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 50 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 51 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 52 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 53 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 54 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 55 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 56 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) 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 05:32:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.234666050000000 Atomic positions (fractional): 1 O 0.48749885550512 0.46976634879395 0.21233986550633 15.999 2 O 0.01250114449488 0.53023365120605 0.71233986550633 15.999 3 O 0.98749885550512 0.03023365120605 0.28766013449367 15.999 4 O 0.51250114449488 0.96976634879395 0.78766013449367 15.999 5 O 0.51250114449488 0.53023365120605 0.78766013449367 15.999 6 O 0.98749885550512 0.46976634879395 0.28766013449367 15.999 7 O 0.01250114449488 0.96976634879395 0.71233986550633 15.999 8 O 0.48749885550512 0.03023365120605 0.21233986550633 15.999 9 O 0.46389357812562 0.32484635013115 0.21976842123603 15.999 10 O 0.03610642187438 0.67515364986884 0.71976842123603 15.999 11 O 0.96389357812562 0.17515364986884 0.28023157876397 15.999 12 O 0.53610642187438 0.82484635013116 0.78023157876397 15.999 13 O 0.53610642187438 0.67515364986884 0.78023157876397 15.999 14 O 0.96389357812562 0.32484635013115 0.28023157876397 15.999 15 O 0.03610642187438 0.82484635013116 0.71976842123603 15.999 16 O 0.46389357812562 0.17515364986884 0.21976842123603 15.999 17 O 0.30204708889185 0.40436512703059 0.55083194109507 15.999 18 O 0.19795291110815 0.59563487296941 0.05083194109507 15.999 19 O 0.80204708889185 0.09563487296941 0.94916805890493 15.999 20 O 0.69795291110815 0.90436512703059 0.44916805890493 15.999 21 O 0.69795291110815 0.59563487296941 0.44916805890493 15.999 22 O 0.80204708889185 0.40436512703059 0.94916805890493 15.999 23 O 0.19795291110815 0.90436512703059 0.05083194109507 15.999 24 O 0.30204708889185 0.09563487296941 0.55083194109507 15.999 25 O 0.16200235682828 0.11938500694766 0.96994633689335 15.999 26 O 0.33799764317172 0.88061499305235 0.46994633689335 15.999 27 O 0.66200235682828 0.38061499305234 0.53005366310665 15.999 28 O 0.83799764317172 0.61938500694765 0.03005366310665 15.999 29 O 0.83799764317172 0.88061499305235 0.03005366310665 15.999 30 O 0.66200235682828 0.11938500694766 0.53005366310665 15.999 31 O 0.33799764317172 0.61938500694765 0.46994633689335 15.999 32 O 0.16200235682828 0.38061499305234 0.96994633689335 15.999 33 Si 0.47431305499627 0.09997297608485 0.37756497455123 28.085 34 Si 0.02568694500373 0.90002702391515 0.87756497455123 28.085 35 Si 0.97431305499627 0.40002702391515 0.12243502544877 28.085 36 Si 0.52568694500373 0.59997297608485 0.62243502544877 28.085 37 Si 0.47431305499627 0.40002702391515 0.37756497455123 28.085 38 Si 0.02568694500373 0.59997297608485 0.87756497455123 28.085 39 Si 0.97431305499627 0.09997297608485 0.12243502544877 28.085 40 Si 0.52568694500373 0.90002702391515 0.62243502544877 28.085 41 Cl 0.44632341917364 0.25000000000000 0.75500478242897 35.453 42 Cl 0.05367658082636 0.75000000000000 0.25500478242897 35.453 43 Cl 0.94632341917364 0.25000000000000 0.74499521757103 35.453 44 Cl 0.55367658082636 0.75000000000000 0.24499521757103 35.453 45 Sm 0.48360630386954 0.40793632643968 0.87354591036128 150.360 46 Sm 0.01639369613046 0.59206367356032 0.37354591036128 150.360 47 Sm 0.98360630386954 0.09206367356032 0.62645408963872 150.360 48 Sm 0.51639369613046 0.90793632643968 0.12645408963872 150.360 49 Sm 0.51639369613046 0.59206367356032 0.12645408963872 150.360 50 Sm 0.98360630386954 0.40793632643968 0.62645408963872 150.360 51 Sm 0.01639369613046 0.90793632643968 0.37354591036128 150.360 52 Sm 0.48360630386954 0.09206367356032 0.87354591036128 150.360 53 Sm 0.79837951930366 0.75000000000000 0.88514540436430 150.360 54 Sm 0.70162048069634 0.25000000000000 0.38514540436430 150.360 55 Sm 0.29837951930366 0.75000000000000 0.61485459563570 150.360 56 Sm 0.20162048069634 0.25000000000000 0.11485459563570 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.006698440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.927041549999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.469332100000001 Atomic positions (fractional): 1 O 0.48749885550512 0.46976634879395 0.10616993275316 15.999 > 1 2 O 0.48749885550512 0.46976634879395 0.60616993275316 15.999 > 1 3 O 0.01250114449488 0.53023365120605 0.35616993275316 15.999 > 3 4 O 0.01250114449488 0.53023365120605 0.85616993275316 15.999 > 3 5 O 0.98749885550512 0.03023365120605 0.14383006724684 15.999 > 5 6 O 0.98749885550512 0.03023365120605 0.64383006724684 15.999 > 5 7 O 0.51250114449488 0.96976634879395 0.39383006724684 15.999 > 7 8 O 0.51250114449488 0.96976634879395 0.89383006724684 15.999 > 7 9 O 0.51250114449488 0.53023365120605 0.39383006724684 15.999 > 9 10 O 0.51250114449488 0.53023365120605 0.89383006724684 15.999 > 9 11 O 0.98749885550512 0.46976634879395 0.14383006724684 15.999 > 11 12 O 0.98749885550512 0.46976634879395 0.64383006724684 15.999 > 11 13 O 0.01250114449488 0.96976634879395 0.35616993275316 15.999 > 13 14 O 0.01250114449488 0.96976634879395 0.85616993275316 15.999 > 13 15 O 0.48749885550512 0.03023365120605 0.10616993275316 15.999 > 15 16 O 0.48749885550512 0.03023365120605 0.60616993275316 15.999 > 15 17 O 0.46389357812562 0.32484635013115 0.10988421061801 15.999 > 17 18 O 0.46389357812562 0.32484635013115 0.60988421061801 15.999 > 17 19 O 0.03610642187438 0.67515364986884 0.35988421061801 15.999 > 19 20 O 0.03610642187438 0.67515364986884 0.85988421061801 15.999 > 19 21 O 0.96389357812562 0.17515364986884 0.14011578938199 15.999 > 21 22 O 0.96389357812562 0.17515364986884 0.64011578938199 15.999 > 21 23 O 0.53610642187438 0.82484635013116 0.39011578938199 15.999 > 23 24 O 0.53610642187438 0.82484635013116 0.89011578938199 15.999 > 23 25 O 0.53610642187438 0.67515364986884 0.39011578938199 15.999 > 25 26 O 0.53610642187438 0.67515364986884 0.89011578938199 15.999 > 25 27 O 0.96389357812562 0.32484635013115 0.14011578938199 15.999 > 27 28 O 0.96389357812562 0.32484635013115 0.64011578938199 15.999 > 27 29 O 0.03610642187438 0.82484635013116 0.35988421061801 15.999 > 29 30 O 0.03610642187438 0.82484635013116 0.85988421061801 15.999 > 29 31 O 0.46389357812562 0.17515364986884 0.10988421061801 15.999 > 31 32 O 0.46389357812562 0.17515364986884 0.60988421061801 15.999 > 31 33 O 0.30204708889185 0.40436512703059 0.27541597054753 15.999 > 33 34 O 0.30204708889185 0.40436512703059 0.77541597054753 15.999 > 33 35 O 0.19795291110815 0.59563487296941 0.02541597054753 15.999 > 35 36 O 0.19795291110815 0.59563487296941 0.52541597054753 15.999 > 35 37 O 0.80204708889185 0.09563487296941 0.47458402945247 15.999 > 37 38 O 0.80204708889185 0.09563487296941 0.97458402945247 15.999 > 37 39 O 0.69795291110815 0.90436512703059 0.22458402945247 15.999 > 39 40 O 0.69795291110815 0.90436512703059 0.72458402945247 15.999 > 39 41 O 0.69795291110815 0.59563487296941 0.22458402945247 15.999 > 41 42 O 0.69795291110815 0.59563487296941 0.72458402945247 15.999 > 41 43 O 0.80204708889185 0.40436512703059 0.47458402945247 15.999 > 43 44 O 0.80204708889185 0.40436512703059 0.97458402945247 15.999 > 43 45 O 0.19795291110815 0.90436512703059 0.02541597054753 15.999 > 45 46 O 0.19795291110815 0.90436512703059 0.52541597054753 15.999 > 45 47 O 0.30204708889185 0.09563487296941 0.27541597054753 15.999 > 47 48 O 0.30204708889185 0.09563487296941 0.77541597054753 15.999 > 47 49 O 0.16200235682828 0.11938500694766 0.48497316844667 15.999 > 49 50 O 0.16200235682828 0.11938500694766 0.98497316844667 15.999 > 49 51 O 0.33799764317172 0.88061499305235 0.23497316844668 15.999 > 51 52 O 0.33799764317172 0.88061499305235 0.73497316844668 15.999 > 51 53 O 0.66200235682828 0.38061499305234 0.26502683155333 15.999 > 53 54 O 0.66200235682828 0.38061499305234 0.76502683155333 15.999 > 53 55 O 0.83799764317172 0.61938500694765 0.01502683155333 15.999 > 55 56 O 0.83799764317172 0.61938500694765 0.51502683155333 15.999 > 55 57 O 0.83799764317172 0.88061499305235 0.01502683155333 15.999 > 57 58 O 0.83799764317172 0.88061499305235 0.51502683155333 15.999 > 57 59 O 0.66200235682828 0.11938500694766 0.26502683155333 15.999 > 59 60 O 0.66200235682828 0.11938500694766 0.76502683155333 15.999 > 59 61 O 0.33799764317172 0.61938500694765 0.23497316844668 15.999 > 61 62 O 0.33799764317172 0.61938500694765 0.73497316844668 15.999 > 61 63 O 0.16200235682828 0.38061499305234 0.48497316844667 15.999 > 63 64 O 0.16200235682828 0.38061499305234 0.98497316844667 15.999 > 63 65 Si 0.47431305499627 0.09997297608485 0.18878248727562 28.085 > 65 66 Si 0.47431305499627 0.09997297608485 0.68878248727562 28.085 > 65 67 Si 0.02568694500373 0.90002702391515 0.43878248727562 28.085 > 67 68 Si 0.02568694500373 0.90002702391515 0.93878248727562 28.085 > 67 69 Si 0.97431305499627 0.40002702391515 0.06121751272438 28.085 > 69 70 Si 0.97431305499627 0.40002702391515 0.56121751272438 28.085 > 69 71 Si 0.52568694500373 0.59997297608485 0.31121751272438 28.085 > 71 72 Si 0.52568694500373 0.59997297608485 0.81121751272438 28.085 > 71 73 Si 0.47431305499627 0.40002702391515 0.18878248727562 28.085 > 73 74 Si 0.47431305499627 0.40002702391515 0.68878248727562 28.085 > 73 75 Si 0.02568694500373 0.59997297608485 0.43878248727562 28.085 > 75 76 Si 0.02568694500373 0.59997297608485 0.93878248727562 28.085 > 75 77 Si 0.97431305499627 0.09997297608485 0.06121751272438 28.085 > 77 78 Si 0.97431305499627 0.09997297608485 0.56121751272438 28.085 > 77 79 Si 0.52568694500373 0.90002702391515 0.31121751272438 28.085 > 79 80 Si 0.52568694500373 0.90002702391515 0.81121751272438 28.085 > 79 81 Cl 0.44632341917364 0.25000000000000 0.37750239121449 35.453 > 81 82 Cl 0.44632341917364 0.25000000000000 0.87750239121449 35.453 > 81 83 Cl 0.05367658082636 0.75000000000000 0.12750239121449 35.453 > 83 84 Cl 0.05367658082636 0.75000000000000 0.62750239121449 35.453 > 83 85 Cl 0.94632341917364 0.25000000000000 0.37249760878551 35.453 > 85 86 Cl 0.94632341917364 0.25000000000000 0.87249760878551 35.453 > 85 87 Cl 0.55367658082636 0.75000000000000 0.12249760878551 35.453 > 87 88 Cl 0.55367658082636 0.75000000000000 0.62249760878551 35.453 > 87 89 Sm 0.48360630386954 0.40793632643968 0.43677295518064 150.360 > 89 90 Sm 0.48360630386954 0.40793632643968 0.93677295518064 150.360 > 89 91 Sm 0.01639369613046 0.59206367356032 0.18677295518064 150.360 > 91 92 Sm 0.01639369613046 0.59206367356032 0.68677295518064 150.360 > 91 93 Sm 0.98360630386954 0.09206367356032 0.31322704481936 150.360 > 93 94 Sm 0.98360630386954 0.09206367356032 0.81322704481936 150.360 > 93 95 Sm 0.51639369613046 0.90793632643968 0.06322704481936 150.360 > 95 96 Sm 0.51639369613046 0.90793632643968 0.56322704481936 150.360 > 95 97 Sm 0.51639369613046 0.59206367356032 0.06322704481936 150.360 > 97 98 Sm 0.51639369613046 0.59206367356032 0.56322704481936 150.360 > 97 99 Sm 0.98360630386954 0.40793632643968 0.31322704481936 150.360 > 99 100 Sm 0.98360630386954 0.40793632643968 0.81322704481936 150.360 > 99 101 Sm 0.01639369613046 0.90793632643968 0.18677295518064 150.360 > 101 102 Sm 0.01639369613046 0.90793632643968 0.68677295518064 150.360 > 101 103 Sm 0.48360630386954 0.09206367356032 0.43677295518064 150.360 > 103 104 Sm 0.48360630386954 0.09206367356032 0.93677295518064 150.360 > 103 105 Sm 0.79837951930366 0.75000000000000 0.44257270218215 150.360 > 105 106 Sm 0.79837951930366 0.75000000000000 0.94257270218215 150.360 > 105 107 Sm 0.70162048069634 0.25000000000000 0.19257270218215 150.360 > 107 108 Sm 0.70162048069634 0.25000000000000 0.69257270218215 150.360 > 107 109 Sm 0.29837951930366 0.75000000000000 0.30742729781785 150.360 > 109 110 Sm 0.29837951930366 0.75000000000000 0.80742729781785 150.360 > 109 111 Sm 0.20162048069634 0.25000000000000 0.05742729781785 150.360 > 111 112 Sm 0.20162048069634 0.25000000000000 0.55742729781785 150.360 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6541204 0.0000000 0.0000000 0.0000000 3.6956970 0.0000000 0.0000000 0.0000000 3.7079201 -------------------------- Born effective charges -------------------------- 1 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 2 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 3 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 4 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 5 O -1.1089352 -0.0841470 0.0661840 -0.1207717 -3.0144867 0.4821711 0.0781086 0.4317465 -2.2759732 6 O -1.1089352 -0.0841470 -0.0661840 -0.1207717 -3.0144867 -0.4821711 -0.0781086 -0.4317465 -2.2759732 7 O -1.1089352 0.0841470 -0.0661840 0.1207717 -3.0144867 0.4821711 -0.0781086 0.4317465 -2.2759732 8 O -1.1089352 0.0841470 0.0661840 0.1207717 -3.0144867 -0.4821711 0.0781086 -0.4317465 -2.2759732 9 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 10 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 11 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 12 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 13 O -1.9764174 -0.0602916 -0.4964592 -0.0788432 -2.4293362 -0.0832061 -0.4872945 -0.1273529 -2.0454386 14 O -1.9764174 -0.0602916 0.4964592 -0.0788432 -2.4293362 0.0832061 0.4872945 0.1273529 -2.0454386 15 O -1.9764174 0.0602916 0.4964592 0.0788432 -2.4293362 -0.0832061 0.4872945 -0.1273529 -2.0454386 16 O -1.9764174 0.0602916 -0.4964592 0.0788432 -2.4293362 0.0832061 -0.4872945 0.1273529 -2.0454386 17 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 18 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 19 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 20 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 21 O -2.8133957 0.0784831 0.3017910 0.1177338 -1.2218762 -0.0263801 0.3060899 0.0116675 -2.2048200 22 O -2.8133957 0.0784831 -0.3017910 0.1177338 -1.2218762 0.0263801 -0.3060899 -0.0116675 -2.2048200 23 O -2.8133957 -0.0784831 -0.3017910 -0.1177338 -1.2218762 -0.0263801 -0.3060899 0.0116675 -2.2048200 24 O -2.8133957 -0.0784831 0.3017910 -0.1177338 -1.2218762 0.0263801 0.3060899 -0.0116675 -2.2048200 25 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 26 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 27 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 28 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 29 O -2.5808831 -0.1461207 0.3398480 -0.1438334 -1.7798307 -0.1804820 0.2177005 -0.1522494 -2.0435441 30 O -2.5808831 -0.1461207 -0.3398480 -0.1438334 -1.7798307 0.1804820 -0.2177005 0.1522494 -2.0435441 31 O -2.5808831 0.1461207 -0.3398480 0.1438334 -1.7798307 -0.1804820 -0.2177005 -0.1522494 -2.0435441 32 O -2.5808831 0.1461207 0.3398480 0.1438334 -1.7798307 0.1804820 0.2177005 0.1522494 -2.0435441 33 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 34 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 35 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 36 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 37 Si 2.9138034 -0.1599425 -0.0368274 -0.2495608 3.1998037 -0.2679054 -0.1702666 -0.3011378 3.6448774 38 Si 2.9138034 -0.1599425 0.0368274 -0.2495608 3.1998037 0.2679054 0.1702666 0.3011378 3.6448774 39 Si 2.9138034 0.1599425 0.0368274 0.2495608 3.1998037 -0.2679054 0.1702666 -0.3011378 3.6448774 40 Si 2.9138034 0.1599425 -0.0368274 0.2495608 3.1998037 0.2679054 -0.1702666 0.3011378 3.6448774 41 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 42 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 43 Cl -1.1081329 0.0000000 -0.6201428 0.0000000 -1.3062342 0.0000000 -0.5281260 0.0000000 -1.2919435 44 Cl -1.1081329 0.0000000 0.6201428 0.0000000 -1.3062342 0.0000000 0.5281260 0.0000000 -1.2919435 45 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 46 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 47 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 48 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 49 Sm 3.9848474 0.1911536 0.1489834 0.2633771 3.8895107 0.0507613 0.0741298 -0.0008707 3.9703737 50 Sm 3.9848474 0.1911536 -0.1489834 0.2633771 3.8895107 -0.0507613 -0.0741298 0.0008707 3.9703737 51 Sm 3.9848474 -0.1911536 -0.1489834 -0.2633771 3.8895107 0.0507613 -0.0741298 -0.0008707 3.9703737 52 Sm 3.9848474 -0.1911536 0.1489834 -0.2633771 3.8895107 -0.0507613 0.0741298 0.0008707 3.9703737 53 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 54 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 55 Sm 4.2700941 0.0000000 0.0449964 0.0000000 4.0186646 0.0000000 -0.0304377 0.0000000 3.2009933 56 Sm 4.2700941 0.0000000 -0.0449964 0.0000000 4.0186646 0.0000000 0.0304377 0.0000000 3.2009933 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 7 3 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 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 0.915 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.796 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 0.000) 0.000 14.125 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.461 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.833 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.211 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.561 ( 0.000 0.000 0.000) 0.000 16.573 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 16.766 ( 0.000 0.000 0.000) 0.000 16.796 ( 0.000 0.000 0.000) 0.000 23.645 ( 0.000 0.000 0.000) 0.000 23.844 ( 0.000 0.000 0.000) 0.000 24.081 ( 0.000 0.000 0.000) 0.000 24.343 ( 0.000 0.000 0.000) 0.000 24.654 ( 0.000 0.000 0.000) 0.000 24.693 ( 0.000 0.000 0.000) 0.000 24.774 ( 0.000 0.000 0.000) 0.000 24.940 ( 0.000 0.000 0.000) 0.000 24.982 ( 0.000 0.000 0.000) 0.000 25.162 ( 0.000 0.000 0.000) 0.000 25.210 ( 0.000 0.000 0.000) 0.000 25.211 ( 0.000 0.000 0.000) 0.000 25.227 ( 0.000 0.000 0.000) 0.000 25.292 ( 0.000 0.000 0.000) 0.000 25.367 ( 0.000 0.000 0.000) 0.000 25.484 ( 0.000 0.000 0.000) 0.000 26.980 ( 0.000 0.000 0.000) 0.000 27.211 ( 0.000 0.000 0.000) 0.000 27.273 ( 0.000 0.000 0.000) 0.000 27.308 ( 0.000 0.000 0.000) 0.000 27.399 ( 0.000 0.000 0.000) 0.000 27.860 ( 0.000 0.000 0.000) 0.000 28.105 ( 0.000 0.000 0.000) 0.000 28.227 ( 0.000 0.000 0.000) 0.000 28.530 ( 0.000 0.000 0.000) 0.000 28.553 ( 0.000 0.000 0.000) 0.000 28.821 ( 0.000 0.000 0.000) 0.000 28.824 ( 0.000 0.000 0.000) 0.000 29.618 ( 0.000 0.000 0.000) 0.000 29.629 ( 0.000 0.000 0.000) 0.000 29.663 ( 0.000 0.000 0.000) 0.000 30.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 19.855 0.000 0.000) 19.855 0.726 ( 34.788 0.000 0.000) 34.788 0.836 ( 41.359 0.000 0.000) 41.359 1.339 ( 32.336 0.000 0.000) 32.336 1.570 ( -11.847 0.000 0.000) 11.847 1.589 ( 12.055 0.000 0.000) 12.055 1.839 ( 12.813 0.000 0.000) 12.813 2.137 ( 11.943 0.000 0.000) 11.943 2.172 ( 7.485 0.000 0.000) 7.485 2.173 ( 12.478 0.000 0.000) 12.478 2.384 ( -8.398 0.000 0.000) 8.398 2.644 ( 5.305 0.000 0.000) 5.305 2.691 ( -3.531 0.000 0.000) 3.531 2.857 ( 1.676 0.000 0.000) 1.676 2.985 ( 1.627 0.000 0.000) 1.627 3.133 ( 0.154 0.000 0.000) 0.154 3.144 ( -1.447 0.000 0.000) 1.447 3.258 ( -7.023 0.000 0.000) 7.023 3.381 ( -0.607 0.000 0.000) 0.607 3.387 ( 11.604 0.000 0.000) 11.604 3.398 ( -10.772 0.000 0.000) 10.772 3.446 ( -4.734 0.000 0.000) 4.734 3.509 ( 8.848 0.000 0.000) 8.848 3.608 ( -8.371 0.000 0.000) 8.371 3.640 ( -1.422 0.000 0.000) 1.422 3.771 ( -4.354 0.000 0.000) 4.354 3.785 ( -3.734 0.000 0.000) 3.734 3.788 ( -0.946 0.000 0.000) 0.946 3.929 ( -5.073 0.000 0.000) 5.073 3.984 ( 2.655 0.000 0.000) 2.655 4.001 ( -2.785 0.000 0.000) 2.785 4.022 ( -8.135 0.000 0.000) 8.135 4.032 ( -2.933 0.000 0.000) 2.933 4.230 ( -4.567 0.000 0.000) 4.567 4.484 ( 11.792 0.000 0.000) 11.792 4.522 ( -5.292 0.000 0.000) 5.292 4.524 ( -1.264 0.000 0.000) 1.264 4.569 ( -3.351 0.000 0.000) 3.351 4.661 ( 1.480 0.000 0.000) 1.480 4.744 ( 12.269 0.000 0.000) 12.269 4.864 ( 9.762 0.000 0.000) 9.762 4.938 ( -0.443 0.000 0.000) 0.443 5.260 ( -8.158 0.000 0.000) 8.158 5.353 ( -5.011 0.000 0.000) 5.011 5.476 ( 2.650 0.000 0.000) 2.650 5.478 ( -1.979 0.000 0.000) 1.979 5.587 ( -4.697 0.000 0.000) 4.697 5.735 ( -4.219 0.000 0.000) 4.219 5.879 ( 2.699 0.000 0.000) 2.699 5.928 ( 2.695 0.000 0.000) 2.695 5.932 ( -8.410 0.000 0.000) 8.410 6.025 ( 4.933 0.000 0.000) 4.933 6.043 ( 1.386 0.000 0.000) 1.386 6.089 ( 3.396 0.000 0.000) 3.396 6.149 ( -0.071 0.000 0.000) 0.071 6.171 ( 3.452 0.000 0.000) 3.452 6.253 ( 4.289 0.000 0.000) 4.289 6.436 ( -12.098 0.000 0.000) 12.098 6.442 ( 3.144 0.000 0.000) 3.144 6.599 ( 2.899 0.000 0.000) 2.899 6.713 ( 3.033 0.000 0.000) 3.033 6.714 ( 0.894 0.000 0.000) 0.894 6.881 ( -1.437 0.000 0.000) 1.437 6.922 ( -6.263 0.000 0.000) 6.263 6.961 ( -2.390 0.000 0.000) 2.390 7.242 ( -4.195 0.000 0.000) 4.195 7.263 ( 9.505 0.000 0.000) 9.505 7.291 ( 3.160 0.000 0.000) 3.160 7.421 ( 2.160 0.000 0.000) 2.160 7.423 ( 8.936 0.000 0.000) 8.936 7.509 ( 2.457 0.000 0.000) 2.457 7.675 ( -4.151 0.000 0.000) 4.151 7.793 ( -1.726 0.000 0.000) 1.726 7.879 ( -3.610 0.000 0.000) 3.610 8.008 ( 0.587 0.000 0.000) 0.587 8.133 ( -12.097 0.000 0.000) 12.097 8.238 ( -7.056 0.000 0.000) 7.056 8.344 ( -7.133 0.000 0.000) 7.133 8.487 ( 9.119 0.000 0.000) 9.119 8.534 ( 1.979 0.000 0.000) 1.979 8.640 ( 2.929 0.000 0.000) 2.929 8.643 ( -10.117 0.000 0.000) 10.117 8.663 ( 3.098 0.000 0.000) 3.098 8.868 ( -1.267 0.000 0.000) 1.267 8.956 ( -3.071 0.000 0.000) 3.071 8.956 ( -0.348 0.000 0.000) 0.348 9.079 ( 4.169 0.000 0.000) 4.169 9.106 ( -4.894 0.000 0.000) 4.894 9.108 ( -2.219 0.000 0.000) 2.219 9.159 ( -1.348 0.000 0.000) 1.348 9.282 ( 7.049 0.000 0.000) 7.049 9.286 ( 2.093 0.000 0.000) 2.093 9.442 ( 4.158 0.000 0.000) 4.158 9.560 ( -2.285 0.000 0.000) 2.285 9.712 ( -0.309 0.000 0.000) 0.309 10.025 ( -3.366 0.000 0.000) 3.366 10.168 ( -5.630 0.000 0.000) 5.630 10.177 ( -1.968 0.000 0.000) 1.968 10.192 ( -10.599 0.000 0.000) 10.599 10.308 ( -5.207 0.000 0.000) 5.207 10.667 ( 2.420 0.000 0.000) 2.420 10.764 ( -3.095 0.000 0.000) 3.095 10.935 ( -5.916 0.000 0.000) 5.916 11.563 ( -5.270 0.000 0.000) 5.270 12.490 ( 9.051 0.000 0.000) 9.051 12.601 ( 9.251 0.000 0.000) 9.251 12.740 ( 7.001 0.000 0.000) 7.001 13.151 ( 4.824 0.000 0.000) 4.824 13.162 ( -0.611 0.000 0.000) 0.611 13.366 ( 6.784 0.000 0.000) 6.784 13.399 ( -1.135 0.000 0.000) 1.135 13.472 ( 11.271 0.000 0.000) 11.271 13.544 ( 6.627 0.000 0.000) 6.627 13.823 ( 4.484 0.000 0.000) 4.484 13.827 ( -4.685 0.000 0.000) 4.685 14.058 ( -6.447 0.000 0.000) 6.447 14.184 ( -3.182 0.000 0.000) 3.182 14.435 ( -2.522 0.000 0.000) 2.522 14.503 ( -5.120 0.000 0.000) 5.120 14.605 ( 2.758 0.000 0.000) 2.758 14.677 ( -5.267 0.000 0.000) 5.267 15.441 ( 6.577 0.000 0.000) 6.577 15.536 ( -9.895 0.000 0.000) 9.895 15.609 ( -2.509 0.000 0.000) 2.509 15.688 ( 5.713 0.000 0.000) 5.713 15.715 ( -4.418 0.000 0.000) 4.418 15.925 ( 2.523 0.000 0.000) 2.523 15.941 ( 7.625 0.000 0.000) 7.625 16.116 ( 4.393 0.000 0.000) 4.393 16.249 ( 3.501 0.000 0.000) 3.501 16.445 ( -5.225 0.000 0.000) 5.225 16.550 ( -2.815 0.000 0.000) 2.815 16.552 ( -0.838 0.000 0.000) 0.838 16.697 ( -1.754 0.000 0.000) 1.754 16.727 ( -3.682 0.000 0.000) 3.682 16.759 ( -3.651 0.000 0.000) 3.651 23.669 ( 2.179 0.000 0.000) 2.179 23.840 ( -0.335 0.000 0.000) 0.335 24.083 ( 0.257 0.000 0.000) 0.257 24.283 ( -4.454 0.000 0.000) 4.454 24.733 ( 6.888 0.000 0.000) 6.888 24.791 ( 1.645 0.000 0.000) 1.645 24.995 ( 4.038 0.000 0.000) 4.038 25.001 ( 1.833 0.000 0.000) 1.833 25.170 ( 0.718 0.000 0.000) 0.718 25.212 ( -1.439 0.000 0.000) 1.439 25.229 ( 1.672 0.000 0.000) 1.672 25.254 ( 3.594 0.000 0.000) 3.594 25.297 ( 0.561 0.000 0.000) 0.561 25.392 ( 2.504 0.000 0.000) 2.504 25.461 ( -2.119 0.000 0.000) 2.119 26.172 ( -6.179 0.000 0.000) 6.179 26.991 ( 0.937 0.000 0.000) 0.937 27.144 ( -4.088 0.000 0.000) 4.088 27.230 ( -1.837 0.000 0.000) 1.837 27.398 ( 6.208 0.000 0.000) 6.208 27.511 ( 8.770 0.000 0.000) 8.770 27.880 ( 1.292 0.000 0.000) 1.292 28.030 ( -7.185 0.000 0.000) 7.185 28.551 ( 2.012 0.000 0.000) 2.012 28.576 ( 2.173 0.000 0.000) 2.173 28.806 ( -1.715 0.000 0.000) 1.715 28.807 ( -1.322 0.000 0.000) 1.322 29.138 ( -10.774 0.000 0.000) 10.774 29.616 ( -0.037 0.000 0.000) 0.037 29.632 ( 0.396 0.000 0.000) 0.396 29.685 ( 1.671 0.000 0.000) 1.671 30.509 ( -16.213 0.000 0.000) 16.213 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 25.933 0.000 0.000) 25.933 1.401 ( 31.038 0.000 0.000) 31.038 1.429 ( 0.767 0.000 0.000) 0.767 1.625 ( 33.742 0.000 0.000) 33.742 1.882 ( 13.874 0.000 0.000) 13.874 1.986 ( 28.356 0.000 0.000) 28.356 2.172 ( -11.735 0.000 0.000) 11.735 2.177 ( 18.900 0.000 0.000) 18.900 2.352 ( 9.301 0.000 0.000) 9.301 2.452 ( 17.969 0.000 0.000) 17.969 2.473 ( 16.059 0.000 0.000) 16.059 2.589 ( -6.229 0.000 0.000) 6.229 2.672 ( -6.774 0.000 0.000) 6.774 2.906 ( 2.954 0.000 0.000) 2.954 3.017 ( -5.608 0.000 0.000) 5.608 3.057 ( -12.343 0.000 0.000) 12.343 3.111 ( -3.137 0.000 0.000) 3.137 3.114 ( -10.335 0.000 0.000) 10.335 3.204 ( 14.010 0.000 0.000) 14.010 3.298 ( -7.479 0.000 0.000) 7.479 3.372 ( -1.099 0.000 0.000) 1.099 3.400 ( -11.077 0.000 0.000) 11.077 3.474 ( -9.578 0.000 0.000) 9.578 3.592 ( -2.622 0.000 0.000) 2.622 3.624 ( 6.360 0.000 0.000) 6.360 3.675 ( -7.877 0.000 0.000) 7.877 3.824 ( -4.080 0.000 0.000) 4.080 3.827 ( -9.298 0.000 0.000) 9.298 3.846 ( 5.564 0.000 0.000) 5.564 3.849 ( 8.490 0.000 0.000) 8.490 3.973 ( -0.861 0.000 0.000) 0.861 4.061 ( 6.127 0.000 0.000) 6.127 4.061 ( 7.255 0.000 0.000) 7.255 4.161 ( -3.136 0.000 0.000) 3.136 4.422 ( -2.696 0.000 0.000) 2.696 4.434 ( -10.135 0.000 0.000) 10.135 4.499 ( -0.697 0.000 0.000) 0.697 4.671 ( -1.367 0.000 0.000) 1.367 4.725 ( 10.428 0.000 0.000) 10.428 4.766 ( -8.223 0.000 0.000) 8.223 5.009 ( -4.755 0.000 0.000) 4.755 5.070 ( 10.024 0.000 0.000) 10.024 5.136 ( 5.024 0.000 0.000) 5.024 5.224 ( -6.979 0.000 0.000) 6.979 5.465 ( 2.668 0.000 0.000) 2.668 5.477 ( -5.684 0.000 0.000) 5.684 5.545 ( 3.851 0.000 0.000) 3.851 5.635 ( -5.560 0.000 0.000) 5.560 5.781 ( -5.808 0.000 0.000) 5.808 5.948 ( 3.691 0.000 0.000) 3.691 5.986 ( 2.258 0.000 0.000) 2.258 6.054 ( 0.336 0.000 0.000) 0.336 6.123 ( -1.698 0.000 0.000) 1.698 6.131 ( -8.242 0.000 0.000) 8.242 6.148 ( 6.183 0.000 0.000) 6.183 6.185 ( -2.730 0.000 0.000) 2.730 6.306 ( 8.122 0.000 0.000) 8.122 6.347 ( 5.042 0.000 0.000) 5.042 6.521 ( 2.779 0.000 0.000) 2.779 6.620 ( -0.778 0.000 0.000) 0.778 6.722 ( -0.044 0.000 0.000) 0.044 6.753 ( 0.796 0.000 0.000) 0.796 6.825 ( -3.164 0.000 0.000) 3.164 6.860 ( 0.061 0.000 0.000) 0.061 6.898 ( -3.484 0.000 0.000) 3.484 7.129 ( -6.283 0.000 0.000) 6.283 7.412 ( 8.038 0.000 0.000) 8.038 7.458 ( 8.285 0.000 0.000) 8.285 7.481 ( 4.547 0.000 0.000) 4.547 7.572 ( 3.829 0.000 0.000) 3.829 7.597 ( -3.114 0.000 0.000) 3.114 7.628 ( 9.924 0.000 0.000) 9.924 7.765 ( -0.259 0.000 0.000) 0.259 7.796 ( -4.396 0.000 0.000) 4.396 7.898 ( -10.440 0.000 0.000) 10.440 8.030 ( 2.196 0.000 0.000) 2.196 8.089 ( -7.358 0.000 0.000) 7.358 8.124 ( -11.499 0.000 0.000) 11.499 8.404 ( -13.636 0.000 0.000) 13.636 8.492 ( -7.004 0.000 0.000) 7.004 8.653 ( 5.863 0.000 0.000) 5.863 8.728 ( 3.668 0.000 0.000) 3.668 8.745 ( 6.154 0.000 0.000) 6.154 8.849 ( -0.107 0.000 0.000) 0.107 8.850 ( -3.779 0.000 0.000) 3.779 8.952 ( 0.412 0.000 0.000) 0.412 8.989 ( -5.724 0.000 0.000) 5.724 9.107 ( -1.689 0.000 0.000) 1.689 9.148 ( 1.355 0.000 0.000) 1.355 9.188 ( 6.144 0.000 0.000) 6.144 9.314 ( -0.209 0.000 0.000) 0.209 9.348 ( -6.669 0.000 0.000) 6.669 9.482 ( 5.215 0.000 0.000) 5.215 9.519 ( -1.193 0.000 0.000) 1.193 9.704 ( -0.376 0.000 0.000) 0.376 9.910 ( -14.407 0.000 0.000) 14.407 9.930 ( -5.708 0.000 0.000) 5.708 9.978 ( -11.172 0.000 0.000) 11.172 10.165 ( 1.563 0.000 0.000) 1.563 10.288 ( 3.519 0.000 0.000) 3.519 10.675 ( -5.514 0.000 0.000) 5.514 10.764 ( -10.540 0.000 0.000) 10.540 10.766 ( 7.205 0.000 0.000) 7.205 11.410 ( -9.477 0.000 0.000) 9.477 12.729 ( 13.499 0.000 0.000) 13.499 12.843 ( 13.714 0.000 0.000) 13.714 12.922 ( 9.909 0.000 0.000) 9.909 13.142 ( -1.495 0.000 0.000) 1.495 13.337 ( 12.663 0.000 0.000) 12.663 13.369 ( -1.858 0.000 0.000) 1.858 13.459 ( 1.878 0.000 0.000) 1.878 13.681 ( -9.629 0.000 0.000) 9.629 13.721 ( 12.459 0.000 0.000) 12.459 13.751 ( 12.999 0.000 0.000) 12.999 13.873 ( -11.273 0.000 0.000) 11.273 13.963 ( 8.379 0.000 0.000) 8.379 14.084 ( -6.814 0.000 0.000) 6.814 14.357 ( -8.749 0.000 0.000) 8.749 14.364 ( -4.316 0.000 0.000) 4.316 14.524 ( -9.516 0.000 0.000) 9.516 14.692 ( 5.888 0.000 0.000) 5.888 15.317 ( -11.549 0.000 0.000) 11.549 15.553 ( -2.386 0.000 0.000) 2.386 15.617 ( 10.074 0.000 0.000) 10.074 15.623 ( -4.088 0.000 0.000) 4.088 15.865 ( 11.414 0.000 0.000) 11.414 15.979 ( 1.941 0.000 0.000) 1.941 16.092 ( 6.976 0.000 0.000) 6.976 16.206 ( 4.033 0.000 0.000) 4.033 16.337 ( 4.458 0.000 0.000) 4.458 16.356 ( -3.060 0.000 0.000) 3.060 16.464 ( -5.231 0.000 0.000) 5.231 16.528 ( -1.481 0.000 0.000) 1.481 16.623 ( -6.473 0.000 0.000) 6.473 16.653 ( -6.089 0.000 0.000) 6.089 16.654 ( -2.452 0.000 0.000) 2.452 23.722 ( 2.753 0.000 0.000) 2.753 23.830 ( -0.741 0.000 0.000) 0.741 24.092 ( 0.666 0.000 0.000) 0.666 24.200 ( -3.388 0.000 0.000) 3.388 24.840 ( 3.082 0.000 0.000) 3.082 24.885 ( 6.738 0.000 0.000) 6.738 25.053 ( 3.097 0.000 0.000) 3.097 25.075 ( 3.649 0.000 0.000) 3.649 25.173 ( -2.150 0.000 0.000) 2.150 25.184 ( 0.406 0.000 0.000) 0.406 25.269 ( 1.991 0.000 0.000) 1.991 25.313 ( 0.967 0.000 0.000) 0.967 25.320 ( 2.311 0.000 0.000) 2.311 25.405 ( -3.156 0.000 0.000) 3.156 25.470 ( 5.190 0.000 0.000) 5.190 26.002 ( -9.898 0.000 0.000) 9.898 27.011 ( 0.857 0.000 0.000) 0.857 27.074 ( -2.572 0.000 0.000) 2.572 27.236 ( 2.773 0.000 0.000) 2.773 27.533 ( 6.860 0.000 0.000) 6.860 27.727 ( 12.419 0.000 0.000) 12.419 27.828 ( -12.054 0.000 0.000) 12.054 27.878 ( -1.957 0.000 0.000) 1.957 28.606 ( 3.148 0.000 0.000) 3.148 28.635 ( 3.442 0.000 0.000) 3.442 28.725 ( -9.964 0.000 0.000) 9.964 28.772 ( -2.026 0.000 0.000) 2.026 28.868 ( -10.836 0.000 0.000) 10.836 29.621 ( 0.622 0.000 0.000) 0.622 29.654 ( 2.023 0.000 0.000) 2.023 29.707 ( 0.085 0.000 0.000) 0.085 30.160 ( -15.996 0.000 0.000) 15.996 ======================= Grid point 3 (4/40) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 25.053 0.000 0.000) 25.053 1.637 ( 18.681 0.000 0.000) 18.681 1.798 ( -18.226 0.000 0.000) 18.226 1.963 ( 22.796 0.000 0.000) 22.796 2.053 ( -13.694 0.000 0.000) 13.694 2.113 ( 12.731 0.000 0.000) 12.731 2.360 ( 0.762 0.000 0.000) 0.762 2.415 ( -5.914 0.000 0.000) 5.914 2.501 ( 4.596 0.000 0.000) 4.596 2.548 ( 13.433 0.000 0.000) 13.433 2.580 ( 13.366 0.000 0.000) 13.366 2.750 ( -6.772 0.000 0.000) 6.772 2.809 ( 5.469 0.000 0.000) 5.469 2.845 ( 18.145 0.000 0.000) 18.145 2.942 ( -2.311 0.000 0.000) 2.311 2.946 ( 3.123 0.000 0.000) 3.123 3.008 ( -6.003 0.000 0.000) 6.003 3.009 ( -3.729 0.000 0.000) 3.729 3.081 ( -11.438 0.000 0.000) 11.438 3.183 ( -9.768 0.000 0.000) 9.768 3.259 ( -4.127 0.000 0.000) 4.127 3.373 ( 2.934 0.000 0.000) 2.934 3.409 ( -16.580 0.000 0.000) 16.580 3.484 ( -6.520 0.000 0.000) 6.520 3.657 ( 14.863 0.000 0.000) 14.863 3.719 ( -1.889 0.000 0.000) 1.889 3.728 ( 10.798 0.000 0.000) 10.798 3.791 ( 0.788 0.000 0.000) 0.788 3.837 ( -3.143 0.000 0.000) 3.143 3.975 ( 5.076 0.000 0.000) 5.076 4.076 ( 6.453 0.000 0.000) 6.453 4.081 ( -4.840 0.000 0.000) 4.840 4.139 ( -18.698 0.000 0.000) 18.698 4.146 ( 0.374 0.000 0.000) 0.374 4.333 ( 16.916 0.000 0.000) 16.916 4.444 ( 5.394 0.000 0.000) 5.394 4.517 ( 3.171 0.000 0.000) 3.171 4.586 ( -6.678 0.000 0.000) 6.678 4.589 ( -7.986 0.000 0.000) 7.986 4.730 ( -16.858 0.000 0.000) 16.858 4.917 ( 8.580 0.000 0.000) 8.580 5.079 ( -7.377 0.000 0.000) 7.377 5.249 ( 7.146 0.000 0.000) 7.146 5.337 ( 9.716 0.000 0.000) 9.716 5.367 ( -5.091 0.000 0.000) 5.091 5.507 ( -7.120 0.000 0.000) 7.120 5.598 ( 9.625 0.000 0.000) 9.625 5.624 ( 3.715 0.000 0.000) 3.715 5.693 ( -3.319 0.000 0.000) 3.319 5.837 ( -13.348 0.000 0.000) 13.348 6.013 ( 2.349 0.000 0.000) 2.349 6.034 ( 0.217 0.000 0.000) 0.217 6.067 ( 0.905 0.000 0.000) 0.905 6.090 ( -1.419 0.000 0.000) 1.419 6.230 ( 2.082 0.000 0.000) 2.082 6.237 ( 1.916 0.000 0.000) 1.916 6.436 ( 4.931 0.000 0.000) 4.931 6.477 ( 6.639 0.000 0.000) 6.639 6.520 ( -2.781 0.000 0.000) 2.781 6.578 ( -3.267 0.000 0.000) 3.267 6.727 ( 0.749 0.000 0.000) 0.749 6.748 ( -0.997 0.000 0.000) 0.997 6.795 ( 0.241 0.000 0.000) 0.241 6.830 ( -2.889 0.000 0.000) 2.889 6.901 ( 3.952 0.000 0.000) 3.952 7.005 ( -5.751 0.000 0.000) 5.751 7.522 ( 1.696 0.000 0.000) 1.696 7.551 ( -1.563 0.000 0.000) 1.563 7.580 ( 7.327 0.000 0.000) 7.327 7.612 ( 4.484 0.000 0.000) 4.484 7.699 ( -5.040 0.000 0.000) 5.040 7.721 ( -6.833 0.000 0.000) 6.833 7.744 ( 13.616 0.000 0.000) 13.616 7.759 ( 4.627 0.000 0.000) 4.627 7.838 ( 6.196 0.000 0.000) 6.196 7.903 ( -9.068 0.000 0.000) 9.068 7.961 ( -6.193 0.000 0.000) 6.193 8.068 ( -17.371 0.000 0.000) 17.371 8.132 ( 8.028 0.000 0.000) 8.028 8.322 ( -9.499 0.000 0.000) 9.499 8.736 ( 2.585 0.000 0.000) 2.585 8.761 ( 0.058 0.000 0.000) 0.058 8.814 ( 0.001 0.000 0.000) 0.001 8.843 ( -1.283 0.000 0.000) 1.283 8.886 ( 4.114 0.000 0.000) 4.114 8.968 ( 7.999 0.000 0.000) 7.999 8.997 ( 4.598 0.000 0.000) 4.598 9.009 ( -6.933 0.000 0.000) 6.933 9.149 ( -9.866 0.000 0.000) 9.866 9.167 ( -8.502 0.000 0.000) 8.502 9.235 ( 6.449 0.000 0.000) 6.449 9.326 ( -0.160 0.000 0.000) 0.160 9.523 ( 1.553 0.000 0.000) 1.553 9.559 ( 0.059 0.000 0.000) 0.059 9.695 ( -0.550 0.000 0.000) 0.550 9.707 ( -3.949 0.000 0.000) 3.949 9.789 ( -4.877 0.000 0.000) 4.877 9.811 ( -5.122 0.000 0.000) 5.122 10.284 ( 9.824 0.000 0.000) 9.824 10.404 ( 6.856 0.000 0.000) 6.856 10.523 ( -12.578 0.000 0.000) 12.578 10.547 ( -6.885 0.000 0.000) 6.885 10.955 ( 10.921 0.000 0.000) 10.921 11.191 ( -11.670 0.000 0.000) 11.670 12.978 ( 8.967 0.000 0.000) 8.967 13.094 ( -3.429 0.000 0.000) 3.429 13.128 ( 13.088 0.000 0.000) 13.088 13.148 ( 13.283 0.000 0.000) 13.283 13.312 ( -4.612 0.000 0.000) 4.612 13.438 ( -13.815 0.000 0.000) 13.815 13.490 ( 2.689 0.000 0.000) 2.689 13.624 ( 14.486 0.000 0.000) 14.486 13.630 ( -11.089 0.000 0.000) 11.089 13.896 ( -11.602 0.000 0.000) 11.602 13.962 ( 10.893 0.000 0.000) 10.893 14.028 ( 13.555 0.000 0.000) 13.555 14.131 ( 7.657 0.000 0.000) 7.657 14.167 ( -9.567 0.000 0.000) 9.567 14.258 ( -6.485 0.000 0.000) 6.485 14.302 ( -11.557 0.000 0.000) 11.557 14.850 ( 9.576 0.000 0.000) 9.576 15.074 ( -11.929 0.000 0.000) 11.929 15.529 ( 0.155 0.000 0.000) 0.155 15.556 ( -2.398 0.000 0.000) 2.398 15.825 ( 9.548 0.000 0.000) 9.548 15.968 ( -3.734 0.000 0.000) 3.734 16.127 ( 13.315 0.000 0.000) 13.315 16.225 ( 6.230 0.000 0.000) 6.230 16.272 ( 2.510 0.000 0.000) 2.510 16.312 ( -1.678 0.000 0.000) 1.678 16.349 ( -5.903 0.000 0.000) 5.903 16.356 ( -6.432 0.000 0.000) 6.432 16.500 ( -0.911 0.000 0.000) 0.911 16.503 ( -2.150 0.000 0.000) 2.150 16.563 ( -1.313 0.000 0.000) 1.313 16.598 ( -2.972 0.000 0.000) 2.972 23.773 ( 2.152 0.000 0.000) 2.152 23.809 ( -1.341 0.000 0.000) 1.341 24.112 ( 1.260 0.000 0.000) 1.260 24.145 ( -2.094 0.000 0.000) 2.094 24.910 ( 3.515 0.000 0.000) 3.515 24.958 ( -0.112 0.000 0.000) 0.112 25.114 ( 2.446 0.000 0.000) 2.446 25.140 ( 2.659 0.000 0.000) 2.659 25.142 ( -0.742 0.000 0.000) 0.742 25.178 ( -1.046 0.000 0.000) 1.046 25.304 ( 1.524 0.000 0.000) 1.524 25.334 ( 0.905 0.000 0.000) 0.905 25.344 ( -2.575 0.000 0.000) 2.575 25.344 ( 0.132 0.000 0.000) 0.132 25.605 ( 8.000 0.000 0.000) 8.000 25.792 ( -10.173 0.000 0.000) 10.173 27.025 ( 0.528 0.000 0.000) 0.528 27.039 ( -1.040 0.000 0.000) 1.040 27.351 ( 8.489 0.000 0.000) 8.489 27.570 ( -12.432 0.000 0.000) 12.432 27.673 ( 6.776 0.000 0.000) 6.776 27.800 ( -5.401 0.000 0.000) 5.401 28.018 ( 16.064 0.000 0.000) 16.064 28.379 ( -19.015 0.000 0.000) 19.015 28.671 ( 3.061 0.000 0.000) 3.061 28.707 ( 3.349 0.000 0.000) 3.349 28.727 ( -2.435 0.000 0.000) 2.435 28.768 ( -2.832 0.000 0.000) 2.832 29.646 ( 1.774 0.000 0.000) 1.774 29.686 ( -1.879 0.000 0.000) 1.879 29.728 ( 5.533 0.000 0.000) 5.533 29.889 ( -10.503 0.000 0.000) 10.503 ======================= Grid point 7 (5/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 20.692 0.000) 20.692 0.545 ( 0.000 29.013 0.000) 29.013 0.741 ( 0.000 -13.891 0.000) 13.891 1.070 ( 0.000 -27.031 0.000) 27.031 1.159 ( 0.000 58.003 0.000) 58.003 1.840 ( 0.000 7.486 0.000) 7.486 1.944 ( 0.000 -9.052 0.000) 9.052 1.963 ( 0.000 -4.510 0.000) 4.510 2.016 ( 0.000 1.495 0.000) 1.495 2.024 ( 0.000 20.230 0.000) 20.230 2.306 ( 0.000 -45.269 0.000) 45.269 2.357 ( 0.000 -14.662 0.000) 14.662 2.598 ( 0.000 5.523 0.000) 5.523 2.698 ( 0.000 -4.071 0.000) 4.071 2.925 ( 0.000 8.049 0.000) 8.049 3.073 ( 0.000 -6.169 0.000) 6.169 3.152 ( 0.000 0.711 0.000) 0.711 3.176 ( 0.000 -1.736 0.000) 1.736 3.380 ( 0.000 0.460 0.000) 0.460 3.387 ( 0.000 4.109 0.000) 4.109 3.427 ( 0.000 -4.697 0.000) 4.697 3.467 ( 0.000 -3.875 0.000) 3.875 3.650 ( 0.000 2.018 0.000) 2.018 3.690 ( 0.000 -0.009 0.000) 0.009 3.748 ( 0.000 4.155 0.000) 4.155 3.815 ( 0.000 -2.199 0.000) 2.199 3.849 ( 0.000 5.460 0.000) 5.460 3.909 ( 0.000 -1.934 0.000) 1.934 4.047 ( 0.000 4.406 0.000) 4.406 4.052 ( 0.000 23.125 0.000) 23.125 4.091 ( 0.000 -0.701 0.000) 0.701 4.200 ( 0.000 12.805 0.000) 12.805 4.203 ( 0.000 3.976 0.000) 3.976 4.277 ( 0.000 -0.762 0.000) 0.762 4.316 ( 0.000 1.267 0.000) 1.267 4.405 ( 0.000 -12.856 0.000) 12.856 4.432 ( 0.000 -6.435 0.000) 6.435 4.499 ( 0.000 -15.374 0.000) 15.374 4.601 ( 0.000 0.606 0.000) 0.606 4.647 ( 0.000 -3.770 0.000) 3.770 4.767 ( 0.000 8.183 0.000) 8.183 4.918 ( 0.000 -6.132 0.000) 6.132 5.281 ( 0.000 3.068 0.000) 3.068 5.414 ( 0.000 -7.590 0.000) 7.590 5.624 ( 0.000 9.611 0.000) 9.611 5.661 ( 0.000 1.772 0.000) 1.772 5.696 ( 0.000 -1.503 0.000) 1.503 5.801 ( 0.000 1.916 0.000) 1.916 5.806 ( 0.000 -10.324 0.000) 10.324 5.853 ( 0.000 -2.978 0.000) 2.978 5.947 ( 0.000 8.627 0.000) 8.627 6.062 ( 0.000 1.418 0.000) 1.418 6.070 ( 0.000 -2.344 0.000) 2.344 6.083 ( 0.000 -0.512 0.000) 0.512 6.181 ( 0.000 1.204 0.000) 1.204 6.188 ( 0.000 3.970 0.000) 3.970 6.188 ( 0.000 0.708 0.000) 0.708 6.243 ( 0.000 -1.574 0.000) 1.574 6.528 ( 0.000 -0.463 0.000) 0.463 6.531 ( 0.000 -0.642 0.000) 0.642 6.689 ( 0.000 5.516 0.000) 5.516 6.708 ( 0.000 1.719 0.000) 1.719 6.792 ( 0.000 -7.090 0.000) 7.090 6.805 ( 0.000 -5.944 0.000) 5.944 7.125 ( 0.000 5.119 0.000) 5.119 7.171 ( 0.000 5.638 0.000) 5.638 7.237 ( 0.000 -4.852 0.000) 4.852 7.265 ( 0.000 -2.981 0.000) 2.981 7.422 ( 0.000 1.865 0.000) 1.865 7.459 ( 0.000 -1.978 0.000) 1.978 7.788 ( 0.000 5.278 0.000) 5.278 7.861 ( 0.000 4.528 0.000) 4.528 7.884 ( 0.000 -4.082 0.000) 4.082 7.954 ( 0.000 -4.557 0.000) 4.557 8.259 ( 0.000 -0.269 0.000) 0.269 8.274 ( 0.000 -1.468 0.000) 1.468 8.339 ( 0.000 0.743 0.000) 0.743 8.350 ( 0.000 -0.482 0.000) 0.482 8.406 ( 0.000 2.353 0.000) 2.353 8.442 ( 0.000 -1.386 0.000) 1.386 8.617 ( 0.000 0.420 0.000) 0.420 8.625 ( 0.000 -0.344 0.000) 0.344 8.906 ( 0.000 2.118 0.000) 2.118 8.934 ( 0.000 2.138 0.000) 2.138 8.945 ( 0.000 -1.602 0.000) 1.602 8.963 ( 0.000 -0.442 0.000) 0.442 9.134 ( 0.000 -2.651 0.000) 2.651 9.134 ( 0.000 -2.643 0.000) 2.643 9.169 ( 0.000 0.108 0.000) 0.108 9.169 ( 0.000 0.058 0.000) 0.058 9.282 ( 0.000 3.854 0.000) 3.854 9.339 ( 0.000 -2.065 0.000) 2.065 9.373 ( 0.000 3.323 0.000) 3.323 9.421 ( 0.000 -1.620 0.000) 1.620 9.614 ( 0.000 2.759 0.000) 2.759 9.678 ( 0.000 -3.455 0.000) 3.455 10.189 ( 0.000 13.029 0.000) 13.029 10.266 ( 0.000 3.076 0.000) 3.076 10.333 ( 0.000 -3.569 0.000) 3.569 10.500 ( 0.000 -19.173 0.000) 19.173 10.631 ( 0.000 1.050 0.000) 1.050 10.646 ( 0.000 -0.475 0.000) 0.475 11.267 ( 0.000 16.556 0.000) 16.556 11.521 ( 0.000 -10.046 0.000) 10.046 12.417 ( 0.000 2.511 0.000) 2.511 12.471 ( 0.000 -2.721 0.000) 2.721 12.842 ( 0.000 2.753 0.000) 2.753 12.906 ( 0.000 -3.753 0.000) 3.753 13.166 ( 0.000 3.671 0.000) 3.671 13.224 ( 0.000 5.552 0.000) 5.552 13.236 ( 0.000 -3.552 0.000) 3.552 13.344 ( 0.000 -6.254 0.000) 6.254 13.422 ( 0.000 3.204 0.000) 3.204 13.474 ( 0.000 -2.088 0.000) 2.088 13.938 ( 0.000 6.148 0.000) 6.148 14.063 ( 0.000 -6.074 0.000) 6.074 14.266 ( 0.000 4.825 0.000) 4.825 14.373 ( 0.000 -6.192 0.000) 6.192 14.633 ( 0.000 4.942 0.000) 4.942 14.706 ( 0.000 -2.724 0.000) 2.724 15.064 ( 0.000 0.887 0.000) 0.887 15.083 ( 0.000 -0.996 0.000) 0.996 15.633 ( 0.000 0.178 0.000) 0.178 15.636 ( 0.000 -0.114 0.000) 0.114 15.710 ( 0.000 1.858 0.000) 1.858 15.742 ( 0.000 -1.036 0.000) 1.036 15.834 ( 0.000 0.287 0.000) 0.287 15.856 ( 0.000 -2.449 0.000) 2.449 16.117 ( 0.000 4.387 0.000) 4.387 16.186 ( 0.000 -2.670 0.000) 2.670 16.524 ( 0.000 0.696 0.000) 0.696 16.543 ( 0.000 -1.205 0.000) 1.205 16.601 ( 0.000 1.180 0.000) 1.180 16.618 ( 0.000 -0.670 0.000) 0.670 16.772 ( 0.000 0.605 0.000) 0.605 16.786 ( 0.000 -0.850 0.000) 0.850 23.895 ( 0.000 5.168 0.000) 5.168 24.011 ( 0.000 -6.317 0.000) 6.317 24.327 ( 0.000 0.568 0.000) 0.568 24.337 ( 0.000 -0.505 0.000) 0.505 24.664 ( 0.000 0.967 0.000) 0.967 24.683 ( 0.000 -0.914 0.000) 0.914 24.835 ( 0.000 5.459 0.000) 5.459 24.936 ( 0.000 -4.543 0.000) 4.543 25.023 ( 0.000 2.638 0.000) 2.638 25.098 ( 0.000 -5.442 0.000) 5.442 25.172 ( 0.000 1.054 0.000) 1.054 25.196 ( 0.000 -1.303 0.000) 1.303 25.315 ( 0.000 2.054 0.000) 2.054 25.349 ( 0.000 6.494 0.000) 6.494 25.352 ( 0.000 -1.549 0.000) 1.549 25.448 ( 0.000 -3.795 0.000) 3.795 27.221 ( 0.000 0.994 0.000) 0.994 27.247 ( 0.000 -1.698 0.000) 1.698 27.342 ( 0.000 2.396 0.000) 2.396 27.382 ( 0.000 -1.702 0.000) 1.702 27.885 ( 0.000 2.608 0.000) 2.608 27.949 ( 0.000 -3.943 0.000) 3.943 28.153 ( 0.000 3.435 0.000) 3.435 28.206 ( 0.000 -2.114 0.000) 2.114 28.536 ( 0.000 0.569 0.000) 0.569 28.547 ( 0.000 -0.564 0.000) 0.564 28.822 ( 0.000 0.059 0.000) 0.059 28.823 ( 0.000 -0.054 0.000) 0.054 29.620 ( 0.000 0.283 0.000) 0.283 29.626 ( 0.000 -0.284 0.000) 0.284 30.602 ( 0.000 0.107 0.000) 0.107 30.605 ( 0.000 -0.106 0.000) 0.106 ======================= Grid point 8 (6/40) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 14.054 19.484 0.000) 24.024 0.904 ( 27.580 17.065 0.000) 32.433 0.986 ( 16.137 -19.066 0.000) 24.978 1.279 ( 18.376 -21.571 0.000) 28.337 1.359 ( 18.430 37.480 0.000) 41.766 1.808 ( 8.063 7.481 0.000) 10.999 2.050 ( 8.581 -5.809 0.000) 10.363 2.103 ( 7.121 16.934 0.000) 18.371 2.136 ( 12.454 -2.872 0.000) 12.781 2.158 ( 12.793 1.685 0.000) 12.903 2.355 ( -1.539 -7.561 0.000) 7.716 2.498 ( 15.305 -35.715 0.000) 38.856 2.593 ( 0.087 1.238 0.000) 1.241 2.673 ( -1.768 -4.094 0.000) 4.460 2.934 ( 0.528 7.370 0.000) 7.389 3.076 ( -0.115 -6.236 0.000) 6.237 3.151 ( -0.888 1.483 0.000) 1.728 3.203 ( 0.958 -4.472 0.000) 4.574 3.350 ( -1.220 4.786 0.000) 4.939 3.351 ( -3.567 -1.535 0.000) 3.884 3.359 ( -7.946 -2.327 0.000) 8.280 3.427 ( -3.248 -2.587 0.000) 4.153 3.598 ( -4.218 -1.410 0.000) 4.448 3.624 ( -6.524 -3.644 0.000) 7.473 3.687 ( -4.945 6.218 0.000) 7.944 3.775 ( -3.859 -2.226 0.000) 4.455 3.810 ( -1.689 9.234 0.000) 9.387 3.928 ( 0.967 -4.376 0.000) 4.481 3.946 ( -9.301 -0.064 0.000) 9.301 3.962 ( -6.285 -0.723 0.000) 6.326 4.078 ( -5.277 4.639 0.000) 7.026 4.117 ( 4.752 19.214 0.000) 19.792 4.178 ( -4.019 -4.847 0.000) 6.296 4.179 ( -0.980 15.447 0.000) 15.478 4.396 ( -1.077 -11.305 0.000) 11.356 4.505 ( 3.679 1.852 0.000) 4.119 4.527 ( -2.089 0.067 0.000) 2.090 4.534 ( 3.118 -13.940 0.000) 14.284 4.600 ( 3.720 3.023 0.000) 4.793 4.685 ( 10.765 -5.111 0.000) 11.917 4.891 ( 9.315 3.645 0.000) 10.003 4.964 ( 3.320 -1.651 0.000) 3.708 5.223 ( -5.399 1.958 0.000) 5.743 5.339 ( -5.594 -7.535 0.000) 9.385 5.482 ( -10.551 7.128 0.000) 12.733 5.580 ( -8.041 -3.086 0.000) 8.613 5.648 ( 1.860 9.209 0.000) 9.395 5.768 ( -2.876 4.555 0.000) 5.387 5.819 ( 1.808 -8.280 0.000) 8.475 5.854 ( -1.534 -3.950 0.000) 4.238 5.997 ( 4.243 3.028 0.000) 5.213 6.032 ( -3.630 4.748 0.000) 5.976 6.053 ( -0.590 -1.533 0.000) 1.642 6.079 ( 0.825 -0.892 0.000) 1.215 6.173 ( 0.613 2.531 0.000) 2.604 6.230 ( 5.155 3.600 0.000) 6.287 6.261 ( 5.413 0.238 0.000) 5.419 6.264 ( -1.065 -7.497 0.000) 7.572 6.576 ( 1.180 3.862 0.000) 4.038 6.617 ( 2.765 0.744 0.000) 2.863 6.652 ( 1.038 1.550 0.000) 1.865 6.713 ( 0.108 0.725 0.000) 0.733 6.774 ( -1.635 -5.801 0.000) 6.027 6.796 ( -1.254 -8.885 0.000) 8.973 7.045 ( -3.425 8.306 0.000) 8.985 7.199 ( 0.029 -7.372 0.000) 7.372 7.317 ( 9.003 3.773 0.000) 9.762 7.387 ( 8.761 -3.147 0.000) 9.309 7.453 ( 2.910 2.008 0.000) 3.535 7.489 ( 2.641 -1.766 0.000) 3.177 7.673 ( -16.501 12.685 0.000) 20.813 7.709 ( -6.652 2.754 0.000) 7.200 7.854 ( -0.530 5.574 0.000) 5.599 7.937 ( -9.402 9.591 0.000) 13.431 7.960 ( 0.486 -4.825 0.000) 4.849 8.099 ( -12.168 -4.709 0.000) 13.048 8.257 ( -9.225 2.619 0.000) 9.589 8.317 ( -9.083 -2.766 0.000) 9.495 8.507 ( 6.113 1.284 0.000) 6.247 8.525 ( 2.606 -0.808 0.000) 2.729 8.645 ( 2.895 0.519 0.000) 2.941 8.657 ( 2.958 -0.594 0.000) 3.017 8.693 ( -8.013 5.940 0.000) 9.975 8.847 ( -4.599 -9.403 0.000) 10.467 8.895 ( -0.935 2.458 0.000) 2.630 8.939 ( -0.462 -1.828 0.000) 1.885 9.090 ( 3.234 5.139 0.000) 6.072 9.117 ( -4.346 1.150 0.000) 4.495 9.143 ( -2.611 -1.458 0.000) 2.991 9.200 ( 4.064 -5.212 0.000) 6.609 9.215 ( 0.949 4.648 0.000) 4.743 9.283 ( 2.155 -2.166 0.000) 3.055 9.543 ( 5.205 9.679 0.000) 10.990 9.595 ( -1.573 3.484 0.000) 3.823 9.671 ( -0.664 -3.892 0.000) 3.948 9.793 ( 5.134 -17.608 0.000) 18.341 10.153 ( -3.385 12.944 0.000) 13.379 10.199 ( -6.883 2.825 0.000) 7.440 10.259 ( -8.440 -3.024 0.000) 8.966 10.462 ( -3.665 -19.045 0.000) 19.395 10.511 ( -5.627 10.814 0.000) 12.190 10.636 ( 0.142 -3.622 0.000) 3.624 11.213 ( -5.202 16.566 0.000) 17.363 11.467 ( -5.252 -10.028 0.000) 11.320 12.517 ( 9.076 2.606 0.000) 9.443 12.572 ( 9.137 -2.790 0.000) 9.554 12.829 ( 5.961 8.567 0.000) 10.437 13.026 ( 5.446 -11.301 0.000) 12.545 13.217 ( -0.720 5.424 0.000) 5.472 13.334 ( -0.973 -6.088 0.000) 6.165 13.386 ( 11.384 2.844 0.000) 11.734 13.479 ( 12.336 -6.163 0.000) 13.789 13.521 ( 9.315 3.419 0.000) 9.923 13.612 ( 13.345 -8.069 0.000) 15.595 13.885 ( -5.154 5.663 0.000) 7.657 14.000 ( -6.034 -5.600 0.000) 8.232 14.234 ( -3.072 4.911 0.000) 5.793 14.343 ( -2.907 -6.244 0.000) 6.888 14.581 ( -4.996 4.763 0.000) 6.902 14.652 ( -5.237 -2.671 0.000) 5.879 14.891 ( -3.903 18.838 0.000) 19.238 15.215 ( 3.891 -16.672 0.000) 17.120 15.574 ( -8.754 3.792 0.000) 9.540 15.656 ( 2.449 1.958 0.000) 3.135 15.660 ( -6.219 -4.815 0.000) 7.865 15.680 ( 5.081 -0.808 0.000) 5.145 15.934 ( 5.016 0.595 0.000) 5.051 15.941 ( 6.899 -0.118 0.000) 6.900 16.158 ( 3.559 3.716 0.000) 5.146 16.223 ( 3.365 -2.719 0.000) 4.327 16.457 ( -4.521 1.355 0.000) 4.720 16.496 ( -2.649 -2.808 0.000) 3.860 16.593 ( -1.344 2.076 0.000) 2.473 16.639 ( -0.365 -3.300 0.000) 3.320 16.733 ( -3.688 0.626 0.000) 3.741 16.749 ( -3.673 -0.893 0.000) 3.780 23.893 ( -0.197 5.303 0.000) 5.307 23.913 ( -9.253 17.845 0.000) 20.101 24.012 ( 0.097 -6.466 0.000) 6.467 24.182 ( -7.850 -10.386 0.000) 13.019 24.808 ( 7.416 7.258 0.000) 10.377 24.852 ( 1.648 5.474 0.000) 5.717 24.947 ( 3.886 -5.766 0.000) 6.953 24.954 ( 1.709 -4.621 0.000) 4.927 25.182 ( 0.912 1.250 0.000) 1.547 25.197 ( 6.972 3.415 0.000) 7.764 25.211 ( 1.317 -1.563 0.000) 2.044 25.328 ( 1.239 2.572 0.000) 2.855 25.329 ( 2.839 -0.376 0.000) 2.864 25.373 ( 2.117 -1.934 0.000) 2.867 25.414 ( 2.069 -2.615 0.000) 3.335 25.574 ( 18.177 -23.308 0.000) 29.558 27.160 ( -3.587 1.723 0.000) 3.980 27.201 ( -2.455 -2.405 0.000) 3.437 27.433 ( 6.910 3.045 0.000) 7.551 27.473 ( -18.282 21.938 0.000) 28.557 27.487 ( 8.197 -2.366 0.000) 8.532 27.747 ( -9.774 -10.292 0.000) 14.193 28.221 ( 2.805 15.418 0.000) 15.671 28.557 ( 2.053 0.609 0.000) 2.141 28.570 ( 2.133 -0.604 0.000) 2.217 28.572 ( 6.984 -22.517 0.000) 23.576 28.828 ( -0.235 0.925 0.000) 0.955 28.859 ( 2.281 -3.704 0.000) 4.351 29.620 ( 0.072 0.382 0.000) 0.388 29.628 ( 0.288 -0.382 0.000) 0.479 30.160 ( -21.909 21.942 0.000) 31.008 30.425 ( -17.555 -8.727 0.000) 19.605 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 20.995 11.986 0.000) 24.175 1.217 ( 11.334 -15.976 0.000) 19.588 1.495 ( 28.600 9.516 0.000) 30.142 1.720 ( 22.686 -13.228 0.000) 26.261 1.842 ( 25.141 20.028 0.000) 32.144 2.190 ( -6.761 6.478 0.000) 9.363 2.211 ( 19.614 -12.406 0.000) 23.208 2.255 ( 13.957 15.366 0.000) 20.759 2.289 ( -0.937 -0.170 0.000) 0.952 2.406 ( 12.496 -3.099 0.000) 12.874 2.490 ( 20.398 6.435 0.000) 21.389 2.584 ( 1.134 4.448 0.000) 4.591 2.694 ( 1.931 -2.592 0.000) 3.233 2.858 ( 17.111 -23.161 0.000) 28.796 2.907 ( -3.960 3.004 0.000) 4.970 3.025 ( -6.352 -7.080 0.000) 9.512 3.070 ( -8.229 1.684 0.000) 8.400 3.106 ( -5.158 -2.529 0.000) 5.744 3.152 ( -7.525 2.416 0.000) 7.904 3.224 ( -7.184 -5.859 0.000) 9.271 3.344 ( -3.061 5.225 0.000) 6.056 3.435 ( -10.514 -2.102 0.000) 10.722 3.476 ( 8.127 -7.805 0.000) 11.268 3.507 ( -3.926 -6.887 0.000) 7.927 3.583 ( -5.900 7.719 0.000) 9.715 3.651 ( -7.923 -1.944 0.000) 8.158 3.778 ( -6.361 3.094 0.000) 7.074 3.819 ( 2.908 9.441 0.000) 9.879 3.926 ( 0.464 -5.643 0.000) 5.662 3.962 ( 3.145 -4.967 0.000) 5.878 3.988 ( -2.519 3.648 0.000) 4.433 4.098 ( -3.380 10.590 0.000) 11.116 4.110 ( -3.059 -5.321 0.000) 6.138 4.270 ( 4.901 8.505 0.000) 9.817 4.385 ( 1.780 -1.316 0.000) 2.214 4.415 ( -6.140 1.139 0.000) 6.245 4.442 ( -6.441 -0.955 0.000) 6.512 4.600 ( 2.600 -9.156 0.000) 9.518 4.758 ( 3.408 4.325 0.000) 5.506 4.834 ( 0.998 0.052 0.000) 0.999 4.984 ( -2.103 2.427 0.000) 3.211 5.061 ( 4.224 -2.334 0.000) 4.826 5.168 ( 6.521 3.844 0.000) 7.569 5.301 ( 4.336 -9.959 0.000) 10.862 5.301 ( -7.558 6.580 0.000) 10.021 5.420 ( -7.174 -5.460 0.000) 9.016 5.688 ( -5.098 4.831 0.000) 7.024 5.700 ( 3.268 9.955 0.000) 10.478 5.766 ( -5.886 -2.519 0.000) 6.402 5.875 ( 3.231 -7.763 0.000) 8.409 6.008 ( -0.222 2.399 0.000) 2.409 6.065 ( 1.700 1.079 0.000) 2.014 6.065 ( -4.305 -3.418 0.000) 5.497 6.097 ( 5.001 -2.661 0.000) 5.664 6.167 ( -3.049 1.326 0.000) 3.325 6.181 ( -1.609 -0.359 0.000) 1.649 6.362 ( 6.844 3.705 0.000) 7.783 6.384 ( 6.424 1.852 0.000) 6.686 6.582 ( 0.515 5.827 0.000) 5.850 6.639 ( -0.470 1.755 0.000) 1.817 6.700 ( 1.608 -3.622 0.000) 3.963 6.703 ( -0.940 -0.605 0.000) 1.118 6.740 ( -1.188 -4.293 0.000) 4.454 6.761 ( -1.882 -8.398 0.000) 8.606 7.012 ( 0.549 11.296 0.000) 11.309 7.240 ( 4.133 -12.242 0.000) 12.920 7.400 ( -10.292 18.017 0.000) 20.750 7.486 ( 4.708 2.273 0.000) 5.228 7.533 ( 3.142 -2.226 0.000) 3.850 7.559 ( 9.762 3.272 0.000) 10.296 7.593 ( -4.800 -2.319 0.000) 5.331 7.613 ( 10.504 -2.157 0.000) 10.723 7.790 ( -6.400 0.185 0.000) 6.402 7.849 ( -11.662 -5.118 0.000) 12.736 7.851 ( 0.754 7.418 0.000) 7.456 7.979 ( 1.908 -5.339 0.000) 5.670 8.080 ( -8.074 -0.582 0.000) 8.095 8.090 ( -10.814 -2.053 0.000) 11.008 8.425 ( -10.691 1.954 0.000) 10.868 8.466 ( -7.477 -2.181 0.000) 7.788 8.705 ( 3.695 4.743 0.000) 6.013 8.730 ( 4.246 0.224 0.000) 4.252 8.737 ( 5.161 -0.572 0.000) 5.192 8.800 ( -0.657 -4.711 0.000) 4.756 8.883 ( 0.066 2.937 0.000) 2.937 8.931 ( -0.547 -1.961 0.000) 2.036 9.022 ( -3.312 3.245 0.000) 4.637 9.100 ( -0.165 -4.389 0.000) 4.392 9.129 ( -1.714 3.352 0.000) 3.765 9.216 ( -3.538 -5.064 0.000) 6.178 9.286 ( 5.102 6.434 0.000) 8.212 9.382 ( 3.809 -2.321 0.000) 4.460 9.542 ( -2.274 8.375 0.000) 8.678 9.567 ( -0.864 4.478 0.000) 4.560 9.656 ( -0.635 -4.411 0.000) 4.457 9.757 ( -6.003 -12.855 0.000) 14.187 10.005 ( -10.755 2.024 0.000) 10.944 10.057 ( -5.794 12.592 0.000) 13.861 10.058 ( -6.686 -4.163 0.000) 7.876 10.356 ( -6.613 -18.482 0.000) 19.630 10.499 ( 4.028 13.084 0.000) 13.690 10.696 ( 5.918 -7.474 0.000) 9.533 11.063 ( -9.146 16.429 0.000) 18.803 11.315 ( -9.404 -9.927 0.000) 13.674 12.756 ( 13.651 2.664 0.000) 13.909 12.812 ( 13.728 -2.799 0.000) 14.010 13.000 ( 9.364 7.726 0.000) 12.140 13.183 ( 8.796 -10.943 0.000) 14.040 13.194 ( -1.578 5.200 0.000) 5.434 13.306 ( -1.757 -5.820 0.000) 6.080 13.574 ( 8.039 7.522 0.000) 11.009 13.700 ( 11.498 -5.229 0.000) 12.631 13.728 ( -10.187 4.607 0.000) 11.180 13.763 ( 12.388 3.948 0.000) 13.002 13.823 ( -11.071 -4.719 0.000) 12.035 13.865 ( 10.940 -6.982 0.000) 12.978 14.141 ( -6.150 5.444 0.000) 8.214 14.256 ( -5.484 -6.316 0.000) 8.365 14.439 ( -8.570 3.817 0.000) 9.381 14.500 ( -9.466 -2.481 0.000) 9.786 14.904 ( 4.048 18.760 0.000) 19.191 15.277 ( 2.711 -19.464 0.000) 19.652 15.386 ( -9.494 6.788 0.000) 11.671 15.533 ( -5.920 -7.901 0.000) 9.872 15.759 ( 7.630 6.240 0.000) 9.857 15.840 ( 10.336 -2.711 0.000) 10.685 16.026 ( 3.718 3.574 0.000) 5.157 16.077 ( 6.117 -1.683 0.000) 6.344 16.238 ( 3.770 3.241 0.000) 4.971 16.305 ( 4.028 -3.191 0.000) 5.139 16.379 ( -3.060 2.306 0.000) 3.832 16.431 ( -3.812 -2.875 0.000) 4.775 16.554 ( -2.117 2.395 0.000) 3.196 16.611 ( -2.009 -3.504 0.000) 4.039 16.628 ( -6.320 0.620 0.000) 6.351 16.644 ( -6.116 -0.872 0.000) 6.178 23.845 ( -0.118 11.651 0.000) 11.651 23.887 ( -0.409 5.764 0.000) 5.778 24.016 ( 0.289 -6.971 0.000) 6.977 24.079 ( -2.876 -11.464 0.000) 11.819 24.900 ( 2.934 5.384 0.000) 6.132 24.932 ( 4.863 4.025 0.000) 6.313 25.002 ( 2.801 -4.799 0.000) 5.557 25.012 ( 2.774 -4.470 0.000) 5.261 25.203 ( 0.901 1.811 0.000) 2.023 25.242 ( 1.552 -2.115 0.000) 2.623 25.251 ( -0.459 6.131 0.000) 6.148 25.350 ( -1.021 -3.182 0.000) 3.342 25.365 ( 2.276 4.117 0.000) 4.704 25.438 ( 4.226 -3.228 0.000) 5.318 25.444 ( 1.664 10.453 0.000) 10.585 25.744 ( 0.015 -19.833 0.000) 19.833 27.106 ( -1.530 3.261 0.000) 3.602 27.183 ( 0.950 -4.453 0.000) 4.554 27.237 ( -6.881 17.687 0.000) 18.979 27.553 ( -9.099 -16.016 0.000) 18.420 27.594 ( 8.770 5.286 0.000) 10.239 27.688 ( 11.358 -4.053 0.000) 12.060 28.187 ( -6.013 18.865 0.000) 19.800 28.534 ( -8.911 -17.114 0.000) 19.295 28.613 ( 3.230 0.730 0.000) 3.312 28.628 ( 3.376 -0.715 0.000) 3.451 28.798 ( -2.531 1.395 0.000) 2.889 28.827 ( -3.917 -2.041 0.000) 4.416 29.629 ( 0.979 0.804 0.000) 1.267 29.646 ( 1.679 -0.798 0.000) 1.859 29.869 ( -8.495 12.970 0.000) 15.504 30.079 ( -14.532 -8.442 0.000) 16.806 ======================= Grid point 10 (8/40) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 24.402 6.774 0.000) 25.325 1.561 ( 21.662 -6.695 0.000) 22.673 1.868 ( -14.839 6.182 0.000) 16.075 1.983 ( -12.223 -4.763 0.000) 13.118 2.056 ( 18.474 7.916 0.000) 20.099 2.238 ( 11.260 11.362 0.000) 15.997 2.266 ( 11.872 -12.674 0.000) 17.366 2.383 ( 1.185 0.122 0.000) 1.191 2.511 ( 0.348 -2.691 0.000) 2.714 2.543 ( -10.546 9.317 0.000) 14.072 2.577 ( 4.716 -11.374 0.000) 12.313 2.713 ( 0.174 -1.975 0.000) 1.983 2.868 ( 1.761 1.338 0.000) 2.212 2.904 ( -0.548 7.623 0.000) 7.643 2.956 ( 5.700 0.576 0.000) 5.729 2.964 ( 4.782 -3.188 0.000) 5.748 2.986 ( 20.076 11.224 0.000) 23.001 3.033 ( -6.818 2.965 0.000) 7.434 3.092 ( -9.946 1.811 0.000) 10.109 3.135 ( -1.890 -6.522 0.000) 6.790 3.236 ( -6.732 -3.528 0.000) 7.601 3.384 ( 4.248 -16.793 0.000) 17.322 3.424 ( -13.621 2.225 0.000) 13.802 3.456 ( -6.728 2.830 0.000) 7.299 3.531 ( 11.297 -0.568 0.000) 11.311 3.637 ( 8.478 -7.552 0.000) 11.354 3.675 ( -4.618 3.936 0.000) 6.068 3.880 ( -6.937 -8.695 0.000) 11.124 3.911 ( 4.377 8.125 0.000) 9.229 3.951 ( -2.330 3.073 0.000) 3.857 4.040 ( -0.346 3.874 0.000) 3.890 4.068 ( 5.822 2.046 0.000) 6.171 4.071 ( -1.183 -4.000 0.000) 4.171 4.225 ( -10.263 4.713 0.000) 11.293 4.310 ( 1.307 -13.986 0.000) 14.047 4.353 ( -2.855 -7.401 0.000) 7.933 4.503 ( 8.052 10.647 0.000) 13.349 4.628 ( 0.814 -1.753 0.000) 1.932 4.667 ( -6.100 4.345 0.000) 7.489 4.717 ( -10.361 -1.246 0.000) 10.435 5.028 ( 6.538 9.531 0.000) 11.558 5.162 ( -6.459 7.299 0.000) 9.747 5.183 ( 6.188 -6.132 0.000) 8.712 5.294 ( -5.288 -6.242 0.000) 8.180 5.369 ( 10.047 2.737 0.000) 10.413 5.457 ( 9.196 -7.042 0.000) 11.583 5.554 ( -7.953 3.742 0.000) 8.789 5.634 ( -7.535 -4.670 0.000) 8.865 5.780 ( 4.576 9.250 0.000) 10.320 5.901 ( -7.742 5.288 0.000) 9.375 5.938 ( 2.831 -6.951 0.000) 7.506 5.991 ( -2.273 -3.868 0.000) 4.487 6.107 ( 1.862 3.184 0.000) 3.688 6.131 ( -0.705 3.179 0.000) 3.256 6.178 ( 2.490 -4.438 0.000) 5.089 6.194 ( 0.641 -3.252 0.000) 3.314 6.480 ( 4.752 3.607 0.000) 5.966 6.512 ( 5.621 1.403 0.000) 5.794 6.560 ( -2.864 3.747 0.000) 4.716 6.602 ( -3.089 1.138 0.000) 3.292 6.692 ( 0.214 -1.191 0.000) 1.210 6.708 ( -0.827 -2.812 0.000) 2.931 6.731 ( 0.093 -4.049 0.000) 4.050 6.736 ( -0.388 -4.940 0.000) 4.955 7.075 ( 5.516 14.261 0.000) 15.291 7.218 ( -8.016 16.634 0.000) 18.464 7.362 ( 7.419 -15.302 0.000) 17.005 7.502 ( -5.136 -10.097 0.000) 11.328 7.550 ( 2.705 1.756 0.000) 3.225 7.591 ( 3.031 -2.334 0.000) 3.825 7.642 ( -7.609 -1.817 0.000) 7.823 7.672 ( -5.093 -2.649 0.000) 5.740 7.758 ( 7.661 2.444 0.000) 8.041 7.805 ( 7.416 -2.086 0.000) 7.704 7.899 ( -7.645 1.257 0.000) 7.747 7.929 ( 8.415 9.488 0.000) 12.682 7.936 ( -6.406 -2.152 0.000) 6.757 8.076 ( 8.188 -5.762 0.000) 10.013 8.168 ( -13.276 7.035 0.000) 15.025 8.278 ( -10.389 -4.466 0.000) 11.308 8.762 ( 2.078 2.310 0.000) 3.107 8.784 ( 0.574 2.040 0.000) 2.119 8.801 ( 0.795 -1.496 0.000) 1.694 8.823 ( 0.568 -1.899 0.000) 1.982 8.899 ( 2.782 1.244 0.000) 3.047 8.929 ( 3.639 -2.015 0.000) 4.160 9.022 ( -7.434 1.583 0.000) 7.601 9.072 ( -8.804 -3.724 0.000) 9.559 9.073 ( 8.002 5.755 0.000) 9.857 9.183 ( 7.840 -5.188 0.000) 9.401 9.267 ( -8.489 6.010 0.000) 10.401 9.347 ( -5.760 -0.812 0.000) 5.817 9.554 ( 1.598 2.468 0.000) 2.941 9.563 ( 0.260 3.960 0.000) 3.969 9.644 ( -0.606 -4.145 0.000) 4.189 9.650 ( -2.393 -5.265 0.000) 5.783 9.867 ( -1.100 7.250 0.000) 7.333 9.933 ( -5.809 11.402 0.000) 12.797 10.055 ( 5.213 -12.974 0.000) 13.982 10.203 ( -8.045 -16.909 0.000) 18.726 10.643 ( 9.377 14.373 0.000) 17.161 10.855 ( -10.820 15.738 0.000) 19.099 10.868 ( 10.455 -8.992 0.000) 13.790 11.097 ( -11.483 -9.637 0.000) 14.991 13.019 ( 10.070 3.839 0.000) 10.777 13.093 ( 12.299 -3.389 0.000) 12.757 13.146 ( -3.513 5.071 0.000) 6.169 13.203 ( 11.723 5.689 0.000) 13.030 13.254 ( -4.015 -5.522 0.000) 6.827 13.350 ( 8.183 -9.414 0.000) 12.474 13.479 ( -13.836 4.017 0.000) 14.407 13.569 ( -12.937 -5.095 0.000) 13.904 13.763 ( 10.681 9.708 0.000) 14.434 13.934 ( 10.695 -7.070 0.000) 12.820 13.979 ( -9.685 7.398 0.000) 12.188 14.010 ( 12.083 2.010 0.000) 12.249 14.072 ( 9.735 -4.010 0.000) 10.529 14.121 ( -7.804 -6.298 0.000) 10.028 14.246 ( -10.376 0.968 0.000) 10.421 14.282 ( -11.188 -1.965 0.000) 11.359 15.024 ( 7.366 15.821 0.000) 17.452 15.194 ( -9.093 11.285 0.000) 14.492 15.339 ( 3.546 -16.035 0.000) 16.423 15.424 ( -4.784 -11.748 0.000) 12.684 15.938 ( 8.676 8.156 0.000) 11.907 16.056 ( -1.863 7.072 0.000) 7.313 16.070 ( 10.908 -5.574 0.000) 12.250 16.175 ( 2.303 -5.041 0.000) 5.542 16.295 ( 1.785 2.233 0.000) 2.858 16.329 ( -1.951 1.470 0.000) 2.443 16.339 ( -1.864 -1.925 0.000) 2.679 16.350 ( -3.594 -0.428 0.000) 3.620 16.515 ( -2.634 1.373 0.000) 2.971 16.515 ( -1.497 1.814 0.000) 2.352 16.546 ( -2.020 -1.624 0.000) 2.592 16.565 ( -2.352 -2.951 0.000) 3.774 23.858 ( 0.931 8.445 0.000) 8.496 23.875 ( -0.698 6.713 0.000) 6.749 24.024 ( 0.592 -7.973 0.000) 7.995 24.041 ( -1.151 -9.593 0.000) 9.662 24.962 ( 2.781 4.624 0.000) 5.396 24.991 ( 0.551 2.956 0.000) 3.007 25.053 ( 1.755 -4.762 0.000) 5.075 25.057 ( 1.353 -4.094 0.000) 4.312 25.216 ( 0.515 2.975 0.000) 3.019 25.231 ( -1.017 4.857 0.000) 4.962 25.272 ( 1.558 -2.657 0.000) 3.080 25.311 ( -2.213 -3.356 0.000) 4.020 25.414 ( 2.317 6.769 0.000) 7.154 25.450 ( -1.008 10.274 0.000) 10.323 25.543 ( 5.917 -6.053 0.000) 8.465 25.668 ( -5.908 -11.374 0.000) 12.817 27.100 ( 0.925 6.205 0.000) 6.274 27.141 ( -3.112 11.005 0.000) 11.437 27.245 ( 5.018 -8.442 0.000) 9.821 27.379 ( -7.816 -13.518 0.000) 15.614 27.789 ( 10.338 9.365 0.000) 13.949 27.950 ( 14.334 -6.864 0.000) 15.892 28.007 ( -10.568 14.865 0.000) 18.239 28.263 ( -15.713 -11.338 0.000) 19.377 28.680 ( 3.193 0.912 0.000) 3.321 28.698 ( 3.322 -0.833 0.000) 3.425 28.741 ( -2.822 1.159 0.000) 3.050 28.760 ( -2.867 -0.813 0.000) 2.981 29.667 ( 2.788 2.041 0.000) 3.455 29.708 ( 4.660 -1.964 0.000) 5.057 29.743 ( -4.689 5.299 0.000) 7.076 29.844 ( -8.858 -4.581 0.000) 9.972 ======================= Grid point 21 (9/40) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 0.000 26.373) 26.373 0.656 ( 0.000 0.000 32.229) 32.229 1.114 ( 0.000 0.000 17.904) 17.904 1.215 ( 0.000 0.000 54.693) 54.693 1.785 ( 0.000 0.000 7.206) 7.206 1.823 ( 0.000 0.000 28.980) 28.980 1.839 ( 0.000 0.000 8.487) 8.487 2.013 ( 0.000 0.000 2.463) 2.463 2.015 ( 0.000 0.000 2.757) 2.757 2.098 ( 0.000 0.000 9.125) 9.125 2.579 ( 0.000 0.000 3.853) 3.853 2.677 ( 0.000 0.000 13.858) 13.858 2.786 ( 0.000 0.000 4.688) 4.688 2.860 ( 0.000 0.000 2.459) 2.459 3.077 ( 0.000 0.000 4.893) 4.893 3.164 ( 0.000 0.000 0.048) 0.048 3.184 ( 0.000 0.000 6.256) 6.256 3.212 ( 0.000 0.000 -4.005) 4.005 3.213 ( 0.000 0.000 0.990) 0.990 3.359 ( 0.000 0.000 -11.279) 11.279 3.444 ( 0.000 0.000 3.461) 3.461 3.527 ( 0.000 0.000 6.708) 6.708 3.581 ( 0.000 0.000 -4.889) 4.889 3.601 ( 0.000 0.000 6.342) 6.342 3.692 ( 0.000 0.000 -5.662) 5.662 3.732 ( 0.000 0.000 -0.102) 0.102 3.878 ( 0.000 0.000 7.223) 7.223 3.983 ( 0.000 0.000 4.636) 4.636 4.005 ( 0.000 0.000 6.925) 6.925 4.065 ( 0.000 0.000 3.405) 3.405 4.096 ( 0.000 0.000 7.979) 7.979 4.141 ( 0.000 0.000 3.747) 3.747 4.229 ( 0.000 0.000 -2.019) 2.019 4.264 ( 0.000 0.000 5.182) 5.182 4.347 ( 0.000 0.000 -1.918) 1.918 4.411 ( 0.000 0.000 -7.216) 7.216 4.526 ( 0.000 0.000 3.205) 3.205 4.655 ( 0.000 0.000 2.365) 2.365 4.677 ( 0.000 0.000 3.764) 3.764 4.679 ( 0.000 0.000 0.677) 0.677 4.834 ( 0.000 0.000 13.659) 13.659 4.988 ( 0.000 0.000 4.882) 4.882 5.295 ( 0.000 0.000 -7.177) 7.177 5.431 ( 0.000 0.000 0.416) 0.416 5.449 ( 0.000 0.000 -3.630) 3.630 5.499 ( 0.000 0.000 4.850) 4.850 5.633 ( 0.000 0.000 -11.074) 11.074 5.646 ( 0.000 0.000 -0.210) 0.210 5.765 ( 0.000 0.000 -11.476) 11.476 5.801 ( 0.000 0.000 -1.821) 1.821 5.939 ( 0.000 0.000 2.645) 2.645 6.024 ( 0.000 0.000 6.009) 6.009 6.065 ( 0.000 0.000 -5.162) 5.162 6.116 ( 0.000 0.000 -2.772) 2.772 6.121 ( 0.000 0.000 2.519) 2.519 6.154 ( 0.000 0.000 1.459) 1.459 6.219 ( 0.000 0.000 0.726) 0.726 6.302 ( 0.000 0.000 -0.154) 0.154 6.458 ( 0.000 0.000 -5.357) 5.357 6.549 ( 0.000 0.000 8.581) 8.581 6.563 ( 0.000 0.000 -5.268) 5.268 6.578 ( 0.000 0.000 -4.216) 4.216 6.974 ( 0.000 0.000 6.278) 6.278 6.988 ( 0.000 0.000 1.108) 1.108 7.114 ( 0.000 0.000 3.283) 3.283 7.138 ( 0.000 0.000 3.856) 3.856 7.190 ( 0.000 0.000 1.310) 1.310 7.266 ( 0.000 0.000 -2.617) 2.617 7.359 ( 0.000 0.000 -4.107) 4.107 7.401 ( 0.000 0.000 -5.964) 5.964 7.450 ( 0.000 0.000 5.080) 5.080 7.777 ( 0.000 0.000 -2.676) 2.676 7.828 ( 0.000 0.000 6.513) 6.513 7.938 ( 0.000 0.000 0.808) 0.808 8.273 ( 0.000 0.000 -8.373) 8.373 8.338 ( 0.000 0.000 -3.314) 3.314 8.370 ( 0.000 0.000 -3.559) 3.559 8.381 ( 0.000 0.000 1.218) 1.218 8.410 ( 0.000 0.000 8.415) 8.415 8.419 ( 0.000 0.000 -6.804) 6.804 8.480 ( 0.000 0.000 3.100) 3.100 8.678 ( 0.000 0.000 3.466) 3.466 8.699 ( 0.000 0.000 -3.643) 3.643 8.926 ( 0.000 0.000 -2.730) 2.730 8.980 ( 0.000 0.000 0.189) 0.189 9.008 ( 0.000 0.000 7.240) 7.240 9.151 ( 0.000 0.000 -0.976) 0.976 9.175 ( 0.000 0.000 0.673) 0.673 9.209 ( 0.000 0.000 0.916) 0.916 9.327 ( 0.000 0.000 5.243) 5.243 9.373 ( 0.000 0.000 4.439) 4.439 9.406 ( 0.000 0.000 4.004) 4.004 9.426 ( 0.000 0.000 15.261) 15.261 9.595 ( 0.000 0.000 0.696) 0.696 9.713 ( 0.000 0.000 -0.187) 0.187 10.052 ( 0.000 0.000 -0.233) 0.233 10.247 ( 0.000 0.000 5.843) 5.843 10.252 ( 0.000 0.000 1.799) 1.799 10.393 ( 0.000 0.000 1.939) 1.939 10.468 ( 0.000 0.000 -10.664) 10.664 10.675 ( 0.000 0.000 2.162) 2.162 10.772 ( 0.000 0.000 -2.239) 2.239 10.960 ( 0.000 0.000 -3.803) 3.803 11.613 ( 0.000 0.000 -6.859) 6.859 12.262 ( 0.000 0.000 -9.840) 9.840 12.521 ( 0.000 0.000 2.044) 2.044 12.681 ( 0.000 0.000 1.290) 1.290 12.960 ( 0.000 0.000 0.615) 0.615 13.085 ( 0.000 0.000 -2.584) 2.584 13.156 ( 0.000 0.000 -15.449) 15.449 13.256 ( 0.000 0.000 -2.311) 2.311 13.275 ( 0.000 0.000 -18.352) 18.352 13.296 ( 0.000 0.000 8.635) 8.635 13.529 ( 0.000 0.000 0.834) 0.834 13.740 ( 0.000 0.000 -12.558) 12.558 14.042 ( 0.000 0.000 -9.751) 9.751 14.162 ( 0.000 0.000 -5.104) 5.104 14.296 ( 0.000 0.000 -21.951) 21.951 14.395 ( 0.000 0.000 -4.254) 4.254 14.506 ( 0.000 0.000 -19.577) 19.577 14.610 ( 0.000 0.000 3.030) 3.030 15.011 ( 0.000 0.000 -2.828) 2.828 15.514 ( 0.000 0.000 -8.020) 8.020 15.599 ( 0.000 0.000 -3.472) 3.472 15.714 ( 0.000 0.000 -2.947) 2.947 15.714 ( 0.000 0.000 -1.624) 1.624 15.936 ( 0.000 0.000 10.486) 10.486 16.044 ( 0.000 0.000 1.806) 1.806 16.230 ( 0.000 0.000 4.307) 4.307 16.501 ( 0.000 0.000 0.141) 0.141 16.758 ( 0.000 0.000 19.214) 19.214 16.798 ( 0.000 0.000 0.232) 0.232 16.828 ( 0.000 0.000 19.792) 19.792 16.838 ( 0.000 0.000 16.597) 16.597 16.949 ( 0.000 0.000 24.459) 24.459 17.000 ( 0.000 0.000 2.387) 2.387 23.649 ( 0.000 0.000 0.396) 0.396 23.846 ( 0.000 0.000 0.180) 0.180 24.082 ( 0.000 0.000 0.102) 0.102 24.277 ( 0.000 0.000 -5.841) 5.841 24.674 ( 0.000 0.000 1.983) 1.983 24.697 ( 0.000 0.000 0.767) 0.767 24.930 ( 0.000 0.000 0.895) 0.895 24.940 ( 0.000 0.000 0.141) 0.141 24.990 ( 0.000 0.000 0.472) 0.472 25.135 ( 0.000 0.000 -4.867) 4.867 25.171 ( 0.000 0.000 0.708) 0.708 25.200 ( 0.000 0.000 0.050) 0.050 25.268 ( 0.000 0.000 2.748) 2.748 25.312 ( 0.000 0.000 0.236) 0.236 25.451 ( 0.000 0.000 -3.297) 3.297 25.516 ( 0.000 0.000 -2.078) 2.078 26.998 ( 0.000 0.000 1.815) 1.815 27.203 ( 0.000 0.000 -0.825) 0.825 27.215 ( 0.000 0.000 -8.018) 8.018 27.246 ( 0.000 0.000 -2.475) 2.475 27.395 ( 0.000 0.000 -4.104) 4.104 27.654 ( 0.000 0.000 -9.311) 9.311 28.070 ( 0.000 0.000 -3.317) 3.317 28.142 ( 0.000 0.000 -8.060) 8.060 28.719 ( 0.000 0.000 -0.506) 0.506 28.783 ( 0.000 0.000 -3.844) 3.844 29.126 ( 0.000 0.000 34.591) 34.591 29.226 ( 0.000 0.000 -19.670) 19.670 29.323 ( 0.000 0.000 -23.574) 23.574 30.039 ( 0.000 0.000 18.113) 18.113 30.625 ( 0.000 0.000 5.138) 5.138 30.746 ( 0.000 0.000 9.773) 9.773 ======================= Grid point 22 (10/40) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 10.494 0.000 21.845) 24.235 0.831 ( 21.274 0.000 22.255) 30.787 1.362 ( 21.372 0.000 17.255) 27.468 1.600 ( 30.106 0.000 34.158) 45.531 1.639 ( -12.115 0.000 9.872) 15.628 1.912 ( 11.368 0.000 6.367) 13.030 1.950 ( 8.622 0.000 27.000) 28.343 2.121 ( 10.725 0.000 0.149) 10.726 2.169 ( 11.081 0.000 2.678) 11.400 2.214 ( 8.788 0.000 4.498) 9.872 2.469 ( -7.050 0.000 6.673) 9.708 2.754 ( 3.634 0.000 10.116) 10.749 2.757 ( -2.966 0.000 5.422) 6.181 2.882 ( 1.973 0.000 3.101) 3.676 3.038 ( 0.213 0.000 4.505) 4.510 3.113 ( -3.882 0.000 -0.043) 3.882 3.172 ( -4.226 0.000 -3.813) 5.692 3.191 ( 1.541 0.000 2.289) 2.759 3.291 ( -6.853 0.000 -9.230) 11.496 3.402 ( 11.870 0.000 1.055) 11.917 3.492 ( -3.785 0.000 6.081) 7.163 3.501 ( -5.895 0.000 2.439) 6.380 3.559 ( 8.711 0.000 3.832) 9.516 3.568 ( -4.534 0.000 -3.208) 5.554 3.614 ( -6.847 0.000 -0.880) 6.904 3.753 ( 2.221 0.000 1.359) 2.603 3.859 ( -1.427 0.000 3.218) 3.520 3.880 ( -5.871 0.000 6.084) 8.455 3.901 ( -8.020 0.000 2.485) 8.396 3.993 ( -6.931 0.000 -0.153) 6.933 4.024 ( -4.608 0.000 6.532) 7.994 4.094 ( -0.628 0.000 7.651) 7.677 4.223 ( 0.973 0.000 10.715) 10.759 4.255 ( -3.174 0.000 2.995) 4.364 4.420 ( 0.404 0.000 -4.934) 4.951 4.489 ( 10.651 0.000 -1.333) 10.734 4.560 ( -1.611 0.000 3.861) 4.183 4.654 ( 4.172 0.000 1.154) 4.329 4.685 ( 2.055 0.000 4.341) 4.803 4.825 ( 7.077 0.000 -0.646) 7.106 4.827 ( 0.366 0.000 9.344) 9.351 4.983 ( 0.253 0.000 4.821) 4.828 5.209 ( -7.417 0.000 -3.845) 8.355 5.372 ( -3.990 0.000 1.297) 4.195 5.433 ( -1.224 0.000 -4.761) 4.915 5.548 ( 2.338 0.000 5.346) 5.835 5.589 ( -4.600 0.000 0.043) 4.600 5.648 ( 0.189 0.000 -8.855) 8.857 5.805 ( 2.774 0.000 -10.985) 11.329 5.830 ( 1.426 0.000 -0.867) 1.669 5.937 ( 0.906 0.000 0.706) 1.148 6.010 ( -3.840 0.000 2.294) 4.473 6.076 ( -1.778 0.000 -4.639) 4.968 6.089 ( 2.409 0.000 4.282) 4.913 6.139 ( 2.938 0.000 1.771) 3.431 6.156 ( 3.252 0.000 -3.316) 4.644 6.327 ( 3.821 0.000 1.302) 4.037 6.423 ( 1.242 0.000 -1.675) 2.086 6.440 ( 7.834 0.000 -13.280) 15.418 6.476 ( -4.912 0.000 5.115) 7.091 6.621 ( 2.272 0.000 -4.994) 5.487 6.622 ( 3.262 0.000 3.474) 4.765 6.955 ( -1.797 0.000 2.942) 3.447 6.974 ( -1.866 0.000 2.415) 3.051 6.989 ( -5.219 0.000 5.434) 7.534 7.167 ( -0.547 0.000 -0.271) 0.611 7.277 ( 7.408 0.000 -0.410) 7.420 7.332 ( 4.210 0.000 -1.166) 4.369 7.419 ( 1.588 0.000 -5.509) 5.734 7.445 ( 7.049 0.000 -1.813) 7.279 7.468 ( 1.747 0.000 4.995) 5.292 7.757 ( -1.957 0.000 -3.763) 4.242 7.802 ( -2.313 0.000 8.737) 9.038 7.922 ( -1.412 0.000 2.366) 2.756 8.123 ( -10.258 0.000 -1.362) 10.348 8.158 ( -12.890 0.000 11.986) 17.602 8.299 ( -1.249 0.000 -14.957) 15.010 8.339 ( -7.568 0.000 3.007) 8.144 8.429 ( -4.064 0.000 7.006) 8.100 8.476 ( 9.280 0.000 -1.880) 9.469 8.592 ( 8.801 0.000 -2.952) 9.283 8.649 ( -5.543 0.000 0.622) 5.577 8.694 ( 1.530 0.000 2.242) 2.714 8.866 ( -3.732 0.000 -1.702) 4.102 8.976 ( -4.601 0.000 -4.775) 6.631 9.051 ( -2.648 0.000 5.007) 5.664 9.067 ( 1.733 0.000 6.272) 6.507 9.139 ( -3.747 0.000 4.696) 6.008 9.154 ( -2.570 0.000 1.484) 2.967 9.335 ( 0.621 0.000 4.347) 4.391 9.343 ( 2.522 0.000 5.710) 6.242 9.389 ( -3.154 0.000 13.342) 13.710 9.461 ( 2.313 0.000 1.733) 2.891 9.574 ( -2.003 0.000 1.495) 2.499 9.678 ( 0.300 0.000 -2.125) 2.146 10.018 ( -3.378 0.000 0.028) 3.378 10.185 ( -6.422 0.000 1.564) 6.610 10.211 ( -14.652 0.000 -2.483) 14.861 10.224 ( -2.401 0.000 4.357) 4.975 10.329 ( -5.273 0.000 1.835) 5.583 10.681 ( 1.235 0.000 0.995) 1.586 10.795 ( -2.667 0.000 0.961) 2.835 10.902 ( -5.687 0.000 -3.474) 6.664 11.535 ( -6.078 0.000 -3.923) 7.234 12.364 ( 9.493 0.000 -9.862) 13.688 12.521 ( 7.901 0.000 -5.222) 9.471 12.745 ( 5.883 0.000 0.716) 5.927 13.092 ( 3.864 0.000 -6.618) 7.663 13.193 ( 7.491 0.000 -8.395) 11.252 13.198 ( 0.597 0.000 -3.158) 3.214 13.320 ( 7.454 0.000 -18.112) 19.586 13.379 ( 2.703 0.000 -4.108) 4.918 13.397 ( 9.629 0.000 -0.985) 9.680 13.691 ( -4.830 0.000 -12.651) 13.542 13.700 ( 13.210 0.000 -3.837) 13.756 13.983 ( -5.774 0.000 -9.439) 11.065 14.131 ( -3.122 0.000 -5.274) 6.129 14.251 ( -4.128 0.000 -20.659) 21.067 14.374 ( -2.050 0.000 -4.302) 4.765 14.452 ( -5.012 0.000 -18.740) 19.399 14.639 ( 2.811 0.000 2.836) 3.993 15.207 ( 14.913 0.000 -7.875) 16.865 15.433 ( -6.647 0.000 -6.618) 9.380 15.650 ( -4.264 0.000 0.075) 4.265 15.660 ( 5.991 0.000 -3.151) 6.770 15.712 ( -2.168 0.000 -1.294) 2.525 16.004 ( 6.208 0.000 8.145) 10.241 16.103 ( 4.905 0.000 1.922) 5.268 16.205 ( -2.485 0.000 8.825) 9.168 16.440 ( -2.043 0.000 8.692) 8.929 16.683 ( -5.875 0.000 19.187) 20.066 16.742 ( -6.055 0.000 7.288) 9.475 16.771 ( -6.277 0.000 10.949) 12.621 16.796 ( -3.474 0.000 19.083) 19.397 16.837 ( -2.174 0.000 12.851) 13.034 16.954 ( -3.153 0.000 18.298) 18.568 23.672 ( 2.069 0.000 0.270) 2.086 23.843 ( -0.347 0.000 0.180) 0.391 24.084 ( 0.158 0.000 0.010) 0.158 24.237 ( -3.157 0.000 -4.257) 5.300 24.726 ( 4.966 0.000 0.151) 4.968 24.794 ( 3.169 0.000 -0.219) 3.177 24.985 ( 3.494 0.000 -0.705) 3.564 25.005 ( 1.900 0.000 -0.059) 1.901 25.173 ( 2.182 0.000 -3.095) 3.787 25.179 ( 1.732 0.000 -1.494) 2.288 25.197 ( 2.181 0.000 -3.295) 3.951 25.241 ( 9.554 0.000 -8.868) 13.036 25.265 ( 0.903 0.000 1.290) 1.574 25.317 ( 0.437 0.000 -0.108) 0.450 25.433 ( -1.742 0.000 -2.815) 3.310 25.666 ( 11.510 0.000 -16.921) 20.465 27.002 ( 0.405 0.000 1.145) 1.214 27.133 ( -2.904 0.000 -1.123) 3.114 27.253 ( -0.210 0.000 -1.250) 1.268 27.326 ( 6.617 0.000 -6.467) 9.252 27.460 ( 7.074 0.000 -4.719) 8.503 27.677 ( 1.892 0.000 -10.057) 10.234 27.978 ( -7.247 0.000 -4.726) 8.652 28.199 ( 3.235 0.000 -12.146) 12.569 28.717 ( -0.144 0.000 -0.781) 0.794 28.776 ( -0.690 0.000 -3.975) 4.035 28.975 ( -8.430 0.000 13.788) 16.161 29.248 ( -7.840 0.000 -17.076) 18.790 29.381 ( 8.809 0.000 -0.055) 8.810 30.010 ( -2.753 0.000 16.664) 16.889 30.109 ( -25.625 0.000 31.609) 40.692 30.623 ( -13.779 0.000 8.665) 16.277 ======================= Grid point 23 (11/40) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 21.251 0.000 12.625) 24.718 1.398 ( 30.391 0.000 6.728) 31.127 1.469 ( -1.672 0.000 6.316) 6.534 1.848 ( 23.156 0.000 11.032) 25.649 2.119 ( -0.145 0.000 14.892) 14.892 2.189 ( 21.181 0.000 10.924) 23.832 2.226 ( 20.979 0.000 7.447) 22.262 2.256 ( -0.757 0.000 11.183) 11.208 2.362 ( 11.454 0.000 1.101) 11.507 2.457 ( 16.523 0.000 8.418) 18.544 2.516 ( 12.817 0.000 4.402) 13.552 2.677 ( -12.729 0.000 0.086) 12.730 2.678 ( -4.007 0.000 5.740) 7.001 2.918 ( -1.482 0.000 1.144) 1.872 2.973 ( -4.541 0.000 -1.334) 4.733 3.063 ( -4.062 0.000 1.114) 4.212 3.138 ( -7.344 0.000 1.210) 7.443 3.142 ( 3.335 0.000 3.099) 4.552 3.219 ( -0.070 0.000 -1.650) 1.652 3.360 ( -9.253 0.000 3.805) 10.005 3.386 ( -3.939 0.000 2.789) 4.826 3.402 ( -5.715 0.000 -4.073) 7.018 3.467 ( -4.743 0.000 5.369) 7.164 3.629 ( 6.778 0.000 0.812) 6.826 3.685 ( -3.352 0.000 8.017) 8.690 3.727 ( -7.192 0.000 1.736) 7.398 3.751 ( -1.147 0.000 -4.936) 5.067 3.800 ( -7.937 0.000 -1.888) 8.158 3.859 ( 0.121 0.000 -1.530) 1.535 3.881 ( 6.185 0.000 5.458) 8.249 4.044 ( 6.333 0.000 12.119) 13.674 4.141 ( 4.797 0.000 7.390) 8.811 4.221 ( 0.052 0.000 5.817) 5.817 4.242 ( 1.531 0.000 12.331) 12.425 4.394 ( -3.639 0.000 -0.256) 3.648 4.488 ( -0.902 0.000 5.872) 5.941 4.620 ( -4.732 0.000 6.525) 8.060 4.713 ( -0.396 0.000 4.951) 4.967 4.754 ( -8.573 0.000 0.718) 8.603 4.768 ( 11.497 0.000 2.766) 11.825 4.960 ( 6.082 0.000 -5.083) 7.926 5.031 ( -10.349 0.000 -0.238) 10.352 5.094 ( 9.519 0.000 -0.207) 9.522 5.295 ( -3.123 0.000 3.875) 4.977 5.428 ( 1.622 0.000 -2.912) 3.334 5.455 ( -6.474 0.000 -2.481) 6.933 5.608 ( 2.702 0.000 5.405) 6.043 5.637 ( -1.519 0.000 -3.327) 3.657 5.779 ( -5.438 0.000 -8.480) 10.074 5.811 ( -2.330 0.000 1.372) 2.704 5.995 ( 1.858 0.000 -2.644) 3.232 6.014 ( 4.840 0.000 0.221) 4.845 6.071 ( 0.299 0.000 -4.114) 4.125 6.129 ( 1.232 0.000 5.109) 5.255 6.181 ( 1.181 0.000 0.579) 1.316 6.256 ( 6.741 0.000 -4.226) 7.956 6.360 ( 1.812 0.000 -0.214) 1.825 6.378 ( -3.021 0.000 11.540) 11.929 6.497 ( 2.913 0.000 -2.149) 3.620 6.587 ( 5.728 0.000 -10.792) 12.218 6.642 ( -1.260 0.000 1.861) 2.248 6.679 ( 3.995 0.000 -2.842) 4.903 6.893 ( -3.111 0.000 6.076) 6.826 6.901 ( -2.996 0.000 3.010) 4.247 6.940 ( -2.320 0.000 4.263) 4.853 7.154 ( -2.312 0.000 0.051) 2.312 7.424 ( 6.379 0.000 -4.554) 7.838 7.428 ( 5.909 0.000 -0.290) 5.917 7.454 ( 1.615 0.000 -4.044) 4.354 7.524 ( 4.183 0.000 3.956) 5.758 7.606 ( 7.747 0.000 -0.674) 7.776 7.707 ( -2.064 0.000 -3.507) 4.069 7.753 ( -1.985 0.000 8.950) 9.168 7.888 ( -1.729 0.000 0.945) 1.971 7.930 ( -8.044 0.000 2.400) 8.394 7.978 ( -5.458 0.000 10.174) 11.546 8.152 ( -9.953 0.000 2.949) 10.381 8.215 ( -8.925 0.000 -13.454) 16.146 8.337 ( -3.360 0.000 11.468) 11.950 8.514 ( -6.666 0.000 2.752) 7.212 8.648 ( 6.907 0.000 -0.269) 6.912 8.731 ( 3.901 0.000 -0.296) 3.912 8.754 ( 4.753 0.000 -0.019) 4.753 8.835 ( 0.674 0.000 -1.486) 1.631 8.846 ( -2.368 0.000 -2.232) 3.254 9.031 ( -2.594 0.000 5.854) 6.403 9.061 ( -4.117 0.000 6.626) 7.801 9.113 ( 2.393 0.000 0.236) 2.405 9.120 ( -1.798 0.000 1.558) 2.379 9.328 ( -2.242 0.000 2.515) 3.369 9.347 ( 0.309 0.000 7.820) 7.827 9.369 ( -7.335 0.000 1.616) 7.511 9.469 ( 3.203 0.000 -1.843) 3.695 9.532 ( -0.463 0.000 1.522) 1.591 9.698 ( 0.645 0.000 -0.029) 0.646 9.902 ( -14.425 0.000 -1.299) 14.483 9.914 ( -6.897 0.000 -0.392) 6.909 10.013 ( -9.336 0.000 2.499) 9.665 10.180 ( -0.062 0.000 1.488) 1.489 10.288 ( 2.401 0.000 -0.304) 2.420 10.683 ( -5.320 0.000 -0.082) 5.321 10.736 ( -10.305 0.000 -2.937) 10.715 10.768 ( 5.157 0.000 0.229) 5.162 11.376 ( -9.430 0.000 -3.649) 10.111 12.619 ( 14.684 0.000 -9.566) 17.525 12.769 ( 14.751 0.000 -7.040) 16.345 12.889 ( 7.273 0.000 -1.204) 7.372 13.184 ( -1.319 0.000 -0.096) 1.322 13.260 ( 11.653 0.000 -7.594) 13.909 13.285 ( 1.736 0.000 -5.545) 5.810 13.395 ( 0.297 0.000 -5.495) 5.503 13.530 ( 12.108 0.000 -18.079) 21.759 13.545 ( -9.266 0.000 -12.570) 15.616 13.623 ( 11.434 0.000 -6.355) 13.081 13.787 ( -9.942 0.000 -9.484) 13.740 13.950 ( 8.478 0.000 -1.430) 8.597 14.026 ( -7.506 0.000 -7.217) 10.413 14.143 ( -6.052 0.000 -15.922) 17.033 14.294 ( -7.869 0.000 -14.827) 16.785 14.327 ( -4.879 0.000 -6.844) 8.405 14.725 ( 5.752 0.000 2.605) 6.314 15.272 ( -8.957 0.000 -3.570) 9.642 15.517 ( 14.931 0.000 -5.349) 15.860 15.565 ( -3.382 0.000 0.223) 3.389 15.639 ( -4.344 0.000 0.715) 4.403 15.838 ( 10.829 0.000 -2.554) 11.126 16.156 ( 8.029 0.000 7.173) 10.766 16.166 ( -1.212 0.000 12.553) 12.611 16.215 ( 5.562 0.000 3.543) 6.595 16.458 ( 2.150 0.000 7.595) 7.894 16.567 ( -4.965 0.000 17.422) 18.116 16.603 ( -6.963 0.000 3.337) 7.721 16.669 ( -4.473 0.000 3.593) 5.737 16.692 ( -6.280 0.000 17.716) 18.796 16.779 ( -3.401 0.000 18.118) 18.434 16.880 ( -3.917 0.000 17.320) 17.757 23.723 ( 2.686 0.000 0.075) 2.687 23.831 ( -0.779 0.000 0.157) 0.795 24.090 ( 0.489 0.000 -0.246) 0.547 24.175 ( -2.621 0.000 -2.348) 3.519 24.825 ( 4.079 0.000 -1.031) 4.207 24.878 ( 5.099 0.000 -0.525) 5.126 25.049 ( 2.081 0.000 -0.776) 2.221 25.058 ( 3.518 0.000 -1.389) 3.782 25.183 ( -0.021 0.000 -0.278) 0.279 25.185 ( -1.602 0.000 0.636) 1.724 25.248 ( 3.095 0.000 -4.319) 5.313 25.273 ( 1.100 0.000 0.299) 1.140 25.326 ( 0.286 0.000 -1.134) 1.170 25.372 ( -0.681 0.000 -3.915) 3.974 25.414 ( 4.158 0.000 -4.678) 6.259 25.775 ( -0.972 0.000 -15.905) 15.934 27.012 ( 0.604 0.000 0.350) 0.698 27.086 ( -1.815 0.000 0.991) 2.068 27.262 ( 1.970 0.000 0.620) 2.065 27.468 ( 6.977 0.000 -6.533) 9.558 27.640 ( 7.676 0.000 -6.393) 9.989 27.709 ( 0.647 0.000 -10.468) 10.488 27.806 ( -7.178 0.000 -4.281) 8.358 28.235 ( -0.497 0.000 -16.922) 16.929 28.714 ( -0.121 0.000 -1.062) 1.069 28.758 ( -0.822 0.000 -3.680) 3.771 28.828 ( -5.715 0.000 8.814) 10.504 29.019 ( -12.611 0.000 0.107) 12.612 29.543 ( 7.074 0.000 2.798) 7.607 29.826 ( -4.498 0.000 17.956) 18.511 29.929 ( -5.141 0.000 13.064) 14.039 30.297 ( -16.146 0.000 10.507) 19.264 ======================= Grid point 24 (12/40) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 24.148 0.000 7.426) 25.264 1.623 ( 16.264 0.000 0.639) 16.276 1.866 ( -17.495 0.000 6.286) 18.590 1.983 ( 25.782 0.000 3.167) 25.976 2.086 ( -23.776 0.000 1.182) 23.805 2.221 ( 12.997 0.000 6.977) 14.751 2.383 ( -8.004 0.000 2.800) 8.480 2.439 ( -7.669 0.000 2.637) 8.110 2.596 ( 16.998 0.000 2.285) 17.151 2.603 ( 11.538 0.000 10.438) 15.559 2.690 ( 12.505 0.000 11.286) 16.845 2.797 ( 12.786 0.000 1.373) 12.859 2.867 ( 6.230 0.000 -3.943) 7.373 2.878 ( -12.640 0.000 7.910) 14.911 2.902 ( 14.477 0.000 2.263) 14.652 2.971 ( -3.771 0.000 0.947) 3.888 3.019 ( -7.584 0.000 0.781) 7.624 3.059 ( -6.463 0.000 3.717) 7.456 3.080 ( -11.649 0.000 0.054) 11.649 3.131 ( -7.481 0.000 -1.630) 7.657 3.301 ( -2.460 0.000 2.450) 3.472 3.394 ( 4.561 0.000 2.560) 5.231 3.463 ( -13.874 0.000 4.602) 14.617 3.526 ( -7.772 0.000 2.848) 8.277 3.646 ( 8.686 0.000 -1.240) 8.774 3.702 ( 0.727 0.000 0.843) 1.113 3.794 ( 2.140 0.000 1.228) 2.468 3.807 ( 10.127 0.000 4.742) 11.182 3.837 ( -1.973 0.000 0.142) 1.978 3.981 ( 1.830 0.000 2.144) 2.819 4.151 ( -2.592 0.000 7.277) 7.724 4.192 ( 6.305 0.000 11.600) 13.203 4.209 ( -10.598 0.000 5.319) 11.858 4.266 ( -0.620 0.000 10.776) 10.794 4.413 ( 12.456 0.000 7.842) 14.719 4.523 ( 4.722 0.000 7.106) 8.532 4.558 ( -0.053 0.000 4.014) 4.015 4.586 ( -5.312 0.000 0.532) 5.338 4.646 ( -5.789 0.000 6.070) 8.388 4.769 ( -14.577 0.000 3.891) 15.087 4.955 ( 6.854 0.000 3.538) 7.713 5.037 ( -0.166 0.000 -2.939) 2.943 5.274 ( 1.782 0.000 1.936) 2.632 5.295 ( 9.634 0.000 -3.967) 10.419 5.344 ( -4.378 0.000 -2.094) 4.853 5.452 ( -3.238 0.000 -4.493) 5.538 5.596 ( 0.414 0.000 -0.084) 0.422 5.668 ( -4.797 0.000 -9.898) 10.999 5.674 ( 3.694 0.000 4.582) 5.886 5.749 ( -3.435 0.000 4.946) 6.021 6.034 ( 1.689 0.000 -2.710) 3.193 6.063 ( -1.078 0.000 -2.589) 2.805 6.081 ( 2.360 0.000 2.061) 3.134 6.127 ( -1.607 0.000 4.928) 5.184 6.236 ( 4.250 0.000 2.422) 4.891 6.320 ( -3.425 0.000 7.252) 8.020 6.410 ( 6.630 0.000 -4.937) 8.266 6.418 ( 3.425 0.000 -2.046) 3.990 6.509 ( -0.753 0.000 -1.258) 1.466 6.577 ( -4.938 0.000 -0.110) 4.939 6.687 ( 4.420 0.000 -1.662) 4.722 6.754 ( -0.325 0.000 -0.232) 0.399 6.862 ( 0.074 0.000 6.014) 6.014 6.890 ( -2.309 0.000 5.516) 5.980 6.893 ( 5.199 0.000 0.442) 5.218 7.049 ( -7.512 0.000 1.147) 7.599 7.482 ( 1.145 0.000 -2.964) 3.178 7.492 ( 0.595 0.000 -3.507) 3.557 7.562 ( 6.056 0.000 -1.387) 6.213 7.644 ( -2.252 0.000 -1.133) 2.521 7.667 ( 8.417 0.000 -0.890) 8.463 7.733 ( -0.102 0.000 6.160) 6.161 7.768 ( 5.516 0.000 -3.149) 6.351 7.819 ( -1.627 0.000 4.847) 5.113 7.849 ( -2.460 0.000 -1.201) 2.738 7.913 ( -0.583 0.000 7.968) 7.989 7.969 ( -12.964 0.000 -7.370) 14.912 7.975 ( -6.555 0.000 5.159) 8.342 8.319 ( 1.629 0.000 11.370) 11.486 8.392 ( -5.101 0.000 5.421) 7.443 8.746 ( 2.214 0.000 0.739) 2.334 8.767 ( 0.314 0.000 0.294) 0.430 8.823 ( 3.847 0.000 1.454) 4.113 8.892 ( 4.723 0.000 -0.027) 4.723 8.937 ( -6.267 0.000 5.851) 8.573 8.950 ( 9.574 0.000 -1.264) 9.657 8.988 ( -2.668 0.000 0.078) 2.669 9.052 ( -1.823 0.000 2.874) 3.403 9.141 ( -5.430 0.000 -0.695) 5.474 9.155 ( -10.198 0.000 0.411) 10.206 9.276 ( 2.765 0.000 1.809) 3.304 9.364 ( -1.578 0.000 3.404) 3.752 9.509 ( 2.303 0.000 -1.485) 2.741 9.563 ( -0.825 0.000 0.249) 0.862 9.689 ( -1.188 0.000 -0.473) 1.279 9.710 ( -2.927 0.000 0.319) 2.944 9.787 ( -2.648 0.000 0.599) 2.715 9.844 ( -6.676 0.000 2.449) 7.111 10.274 ( 8.946 0.000 -0.915) 8.992 10.395 ( 6.976 0.000 -1.000) 7.047 10.500 ( -12.165 0.000 -2.247) 12.371 10.546 ( -7.433 0.000 -0.317) 7.440 10.934 ( 10.222 0.000 -2.224) 10.461 11.160 ( -11.364 0.000 -3.191) 11.803 12.919 ( 12.828 0.000 -7.809) 15.018 13.009 ( 3.494 0.000 -3.550) 4.981 13.079 ( 14.457 0.000 -5.595) 15.502 13.158 ( 0.256 0.000 -1.735) 1.753 13.274 ( -3.534 0.000 -3.354) 4.872 13.309 ( -11.776 0.000 -11.386) 16.380 13.407 ( 1.666 0.000 -6.452) 6.664 13.532 ( -11.071 0.000 -9.152) 14.364 13.546 ( 13.929 0.000 -8.907) 16.533 13.811 ( 13.159 0.000 -18.734) 22.894 13.813 ( -7.495 0.000 -10.799) 13.146 13.848 ( 4.818 0.000 -6.915) 8.428 14.010 ( -7.163 0.000 -10.819) 12.975 14.063 ( -8.198 0.000 -17.117) 18.979 14.128 ( 2.881 0.000 -2.737) 3.974 14.235 ( -4.907 0.000 -2.380) 5.453 14.875 ( 8.841 0.000 1.916) 9.046 15.074 ( -10.180 0.000 -0.176) 10.182 15.528 ( -0.122 0.000 -0.176) 0.214 15.559 ( -3.031 0.000 0.211) 3.039 15.804 ( 12.779 0.000 -0.840) 12.807 15.989 ( -2.102 0.000 0.825) 2.258 16.189 ( 7.663 0.000 4.908) 9.100 16.305 ( 5.397 0.000 7.373) 9.137 16.315 ( 3.673 0.000 6.079) 7.103 16.399 ( -9.597 0.000 1.915) 9.786 16.494 ( -1.443 0.000 15.618) 15.685 16.536 ( 1.997 0.000 4.786) 5.186 16.557 ( -6.409 0.000 16.140) 17.366 16.597 ( -3.187 0.000 5.691) 6.522 16.740 ( 0.755 0.000 18.454) 18.469 16.798 ( -3.926 0.000 16.805) 17.257 23.773 ( 2.176 0.000 0.024) 2.176 23.810 ( -1.398 0.000 0.089) 1.401 24.105 ( 1.002 0.000 -0.652) 1.196 24.132 ( -1.681 0.000 -1.274) 2.110 24.902 ( 3.526 0.000 -0.722) 3.599 24.947 ( 0.261 0.000 -0.959) 0.994 25.089 ( 2.566 0.000 -1.985) 3.245 25.124 ( 2.853 0.000 -1.420) 3.187 25.147 ( -2.349 0.000 -0.326) 2.371 25.169 ( -1.446 0.000 -0.975) 1.744 25.296 ( 1.256 0.000 -0.701) 1.439 25.297 ( 1.808 0.000 -3.180) 3.658 25.323 ( -0.698 0.000 -2.250) 2.355 25.328 ( -1.990 0.000 -1.504) 2.495 25.541 ( 7.026 0.000 -5.941) 9.201 25.685 ( -6.611 0.000 -9.073) 11.227 27.029 ( 1.041 0.000 0.649) 1.226 27.054 ( -1.389 0.000 1.302) 1.904 27.353 ( 7.045 0.000 -0.254) 7.050 27.537 ( -10.332 0.000 -2.609) 10.657 27.599 ( 5.645 0.000 -7.010) 9.000 27.688 ( -2.803 0.000 -8.863) 9.296 27.926 ( 11.749 0.000 -9.071) 14.843 28.146 ( -8.454 0.000 -15.422) 17.587 28.716 ( 0.544 0.000 0.313) 0.628 28.745 ( -2.523 0.000 4.272) 4.961 28.754 ( 0.847 0.000 -0.520) 0.994 28.818 ( -6.178 0.000 5.085) 8.002 29.678 ( 6.422 0.000 5.458) 8.428 29.809 ( -6.333 0.000 8.973) 10.983 29.841 ( 4.989 0.000 10.436) 11.567 30.011 ( -11.461 0.000 9.895) 15.141 ======================= Grid point 28 (13/40) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 10.420 27.309) 29.230 0.960 ( 0.000 0.028 20.703) 20.703 1.057 ( 0.000 17.359 21.287) 27.468 1.441 ( 0.000 -19.584 25.569) 32.207 1.477 ( 0.000 31.199 33.478) 45.762 1.921 ( 0.000 6.792 7.724) 10.286 1.947 ( 0.000 -7.658 0.267) 7.663 2.027 ( 0.000 -2.867 6.584) 7.181 2.044 ( 0.000 4.604 5.817) 7.419 2.181 ( 0.000 11.704 16.742) 20.427 2.478 ( 0.000 -35.191 14.638) 38.114 2.517 ( 0.000 -13.555 13.509) 19.137 2.653 ( 0.000 4.710 5.579) 7.301 2.757 ( 0.000 -4.464 5.492) 7.077 2.952 ( 0.000 8.434 2.351) 8.756 3.110 ( 0.000 -6.740 1.918) 7.008 3.158 ( 0.000 0.436 1.952) 2.000 3.183 ( 0.000 -1.790 1.004) 2.052 3.252 ( 0.000 2.891 -5.077) 5.842 3.318 ( 0.000 -4.186 -7.697) 8.761 3.514 ( 0.000 -0.164 5.188) 5.191 3.531 ( 0.000 -1.013 3.109) 3.270 3.587 ( 0.000 0.881 -5.015) 5.091 3.627 ( 0.000 -3.545 -4.274) 5.553 3.790 ( 0.000 9.060 -0.498) 9.073 3.799 ( 0.000 5.290 2.604) 5.896 3.961 ( 0.000 -1.729 3.874) 4.243 3.971 ( 0.000 -2.620 3.369) 4.268 4.069 ( 0.000 10.815 2.982) 11.219 4.122 ( 0.000 7.612 7.501) 10.687 4.129 ( 0.000 1.759 6.120) 6.368 4.198 ( 0.000 7.343 3.943) 8.335 4.236 ( 0.000 -5.271 -0.319) 5.281 4.305 ( 0.000 3.544 -1.349) 3.792 4.318 ( 0.000 5.471 3.709) 6.610 4.372 ( 0.000 -3.708 -4.349) 5.715 4.456 ( 0.000 -6.431 0.860) 6.488 4.522 ( 0.000 -12.513 2.560) 12.772 4.665 ( 0.000 0.374 5.503) 5.516 4.721 ( 0.000 -2.154 10.941) 11.151 4.827 ( 0.000 5.199 6.798) 8.558 4.969 ( 0.000 -5.609 5.324) 7.734 5.272 ( 0.000 2.694 -1.370) 3.022 5.383 ( 0.000 -6.315 -2.940) 6.965 5.472 ( 0.000 0.965 -11.024) 11.067 5.506 ( 0.000 -0.233 -11.815) 11.817 5.666 ( 0.000 3.244 0.216) 3.251 5.728 ( 0.000 -2.740 -1.621) 3.183 5.809 ( 0.000 9.616 -5.177) 10.921 5.872 ( 0.000 4.674 -8.263) 9.494 5.939 ( 0.000 -0.153 2.900) 2.904 5.991 ( 0.000 -3.353 4.220) 5.390 6.065 ( 0.000 -0.180 -1.729) 1.738 6.074 ( 0.000 -1.803 2.621) 3.181 6.162 ( 0.000 2.302 -2.737) 3.576 6.171 ( 0.000 1.189 -0.149) 1.198 6.255 ( 0.000 2.089 -0.408) 2.128 6.284 ( 0.000 -1.457 -0.964) 1.747 6.495 ( 0.000 3.435 -0.757) 3.517 6.526 ( 0.000 -0.711 3.074) 3.155 6.546 ( 0.000 -1.160 -6.866) 6.963 6.575 ( 0.000 -2.351 -4.188) 4.803 6.932 ( 0.000 -3.559 6.660) 7.551 6.935 ( 0.000 -2.831 6.859) 7.420 7.151 ( 0.000 3.510 1.953) 4.017 7.176 ( 0.000 5.097 -0.860) 5.170 7.222 ( 0.000 -1.779 0.517) 1.852 7.251 ( 0.000 -1.819 -1.594) 2.419 7.442 ( 0.000 3.123 -3.908) 5.003 7.467 ( 0.000 1.249 0.649) 1.408 7.483 ( 0.000 9.107 -10.716) 14.063 7.646 ( 0.000 -8.477 -5.380) 10.040 7.925 ( 0.000 4.295 3.738) 5.694 7.951 ( 0.000 0.845 1.616) 1.824 8.281 ( 0.000 0.887 -7.342) 7.395 8.310 ( 0.000 -2.488 -4.611) 5.240 8.351 ( 0.000 1.191 -1.791) 2.151 8.379 ( 0.000 -1.739 0.125) 1.744 8.441 ( 0.000 2.637 1.006) 2.822 8.458 ( 0.000 3.069 3.422) 4.597 8.473 ( 0.000 -0.688 1.129) 1.322 8.555 ( 0.000 -6.908 3.381) 7.691 8.803 ( 0.000 5.646 -2.503) 6.176 8.892 ( 0.000 -3.527 -2.856) 4.538 9.001 ( 0.000 1.826 1.767) 2.541 9.021 ( 0.000 0.345 5.131) 5.143 9.161 ( 0.000 0.964 -0.151) 0.976 9.173 ( 0.000 -0.285 0.383) 0.478 9.200 ( 0.000 0.164 2.184) 2.190 9.257 ( 0.000 -5.803 5.616) 8.076 9.351 ( 0.000 2.082 4.739) 5.176 9.388 ( 0.000 -1.620 4.220) 4.520 9.579 ( 0.000 9.946 13.724) 16.949 9.614 ( 0.000 2.071 0.395) 2.108 9.681 ( 0.000 -2.362 0.705) 2.466 9.864 ( 0.000 -20.126 16.292) 25.894 10.185 ( 0.000 11.992 -0.221) 11.994 10.283 ( 0.000 3.111 1.813) 3.601 10.353 ( 0.000 -3.647 1.841) 4.085 10.483 ( 0.000 -18.483 -1.616) 18.553 10.602 ( 0.000 5.109 -3.574) 6.235 10.660 ( 0.000 -1.720 0.907) 1.945 11.230 ( 0.000 16.568 -4.014) 17.047 11.493 ( 0.000 -11.158 -4.554) 12.052 12.302 ( 0.000 4.070 -8.039) 9.010 12.403 ( 0.000 -6.585 -2.418) 7.015 12.799 ( 0.000 6.248 -1.450) 6.415 12.899 ( 0.000 -4.850 -0.443) 4.870 13.134 ( 0.000 3.481 -2.792) 4.462 13.170 ( 0.000 0.266 -11.939) 11.942 13.243 ( 0.000 -0.481 -7.472) 7.487 13.257 ( 0.000 -1.406 -17.383) 17.439 13.344 ( 0.000 4.676 7.791) 9.087 13.452 ( 0.000 -6.197 5.152) 8.060 13.810 ( 0.000 6.575 -12.822) 14.409 13.952 ( 0.000 -7.721 -12.044) 14.307 14.232 ( 0.000 4.951 -3.859) 6.277 14.303 ( 0.000 -1.754 -8.663) 8.839 14.407 ( 0.000 2.544 -14.955) 15.170 14.466 ( 0.000 -2.917 -18.996) 19.218 14.809 ( 0.000 12.924 -7.964) 15.181 14.971 ( 0.000 -4.743 -5.377) 7.170 15.530 ( 0.000 1.811 -6.594) 6.839 15.574 ( 0.000 -2.370 -4.157) 4.785 15.721 ( 0.000 0.487 -2.139) 2.194 15.722 ( 0.000 0.504 -2.866) 2.910 15.946 ( 0.000 1.564 9.442) 9.570 16.004 ( 0.000 -3.913 4.817) 6.206 16.256 ( 0.000 2.908 7.071) 7.646 16.364 ( 0.000 -9.571 10.277) 14.043 16.768 ( 0.000 1.064 18.849) 18.879 16.798 ( 0.000 0.170 1.456) 1.466 16.798 ( 0.000 -2.010 19.512) 19.615 16.822 ( 0.000 -3.102 4.511) 5.474 16.906 ( 0.000 0.180 22.932) 22.933 16.933 ( 0.000 -1.507 24.244) 24.290 23.896 ( 0.000 5.048 0.075) 5.048 23.963 ( 0.000 14.310 -12.594) 19.062 24.027 ( 0.000 -0.730 -2.564) 2.666 24.218 ( 0.000 -6.941 -9.401) 11.686 24.677 ( 0.000 0.402 1.809) 1.853 24.689 ( 0.000 -0.750 1.082) 1.316 24.909 ( 0.000 0.832 2.443) 2.581 24.953 ( 0.000 -3.126 0.914) 3.257 25.002 ( 0.000 3.823 -0.527) 3.859 25.076 ( 0.000 -4.128 -1.326) 4.336 25.182 ( 0.000 1.061 0.668) 1.254 25.204 ( 0.000 -0.969 0.318) 1.020 25.309 ( 0.000 3.921 0.163) 3.925 25.364 ( 0.000 4.630 0.175) 4.633 25.394 ( 0.000 -5.029 -0.721) 5.080 25.451 ( 0.000 -4.347 0.115) 4.348 27.149 ( 0.000 4.667 -8.247) 9.476 27.193 ( 0.000 -1.658 -6.214) 6.431 27.257 ( 0.000 4.032 -5.346) 6.696 27.267 ( 0.000 1.303 -4.878) 5.049 27.459 ( 0.000 8.715 -8.371) 12.084 27.611 ( 0.000 -5.123 -11.197) 12.313 28.082 ( 0.000 1.438 -4.367) 4.597 28.119 ( 0.000 -2.132 -6.934) 7.255 28.735 ( 0.000 1.548 -1.675) 2.281 28.766 ( 0.000 -1.574 -3.382) 3.731 29.176 ( 0.000 4.423 24.464) 24.861 29.224 ( 0.000 -0.619 -12.104) 12.120 29.354 ( 0.000 5.012 -9.475) 10.719 29.621 ( 0.000 -24.846 30.449) 39.300 30.703 ( 0.000 3.202 6.351) 7.113 30.738 ( 0.000 -0.960 9.017) 9.068 ======================= Grid point 29 (14/40) ======================= q-point: ( 0.14 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 6.965 14.824 22.411) 27.758 1.131 ( 13.194 -8.732 15.306) 22.014 1.169 ( 11.475 18.594 15.443) 26.756 1.584 ( 13.012 -18.263 20.983) 30.710 1.682 ( 12.873 13.981 25.102) 31.485 1.879 ( 9.100 6.890 8.382) 14.162 2.075 ( 9.398 -2.302 0.844) 9.712 2.150 ( 10.687 -5.490 2.643) 12.302 2.204 ( 13.568 8.720 9.713) 18.827 2.256 ( 5.957 14.861 14.497) 21.598 2.484 ( -3.667 -3.910 10.779) 12.039 2.626 ( 11.505 -28.884 11.436) 33.128 2.658 ( 0.332 -1.154 5.829) 5.951 2.750 ( 0.876 -7.291 7.048) 10.178 2.966 ( -0.035 7.486 2.995) 8.063 3.105 ( -3.315 -4.277 3.335) 6.357 3.149 ( 1.107 -0.852 -0.953) 1.691 3.181 ( -2.324 -1.775 -1.749) 3.407 3.262 ( 3.010 -1.338 -1.582) 3.655 3.281 ( -3.676 -1.574 -5.532) 6.826 3.468 ( -4.372 0.519 4.043) 5.978 3.504 ( -2.757 -1.116 5.243) 6.028 3.531 ( -4.764 0.526 -5.188) 7.063 3.602 ( -2.868 -5.758 -0.776) 6.479 3.726 ( -5.647 6.777 1.984) 9.042 3.796 ( -0.972 4.224 1.877) 4.723 3.877 ( -5.275 -0.306 -1.084) 5.394 3.913 ( -8.069 0.053 0.483) 8.083 3.949 ( -6.837 3.632 3.962) 8.697 4.048 ( -3.763 -2.407 6.912) 8.230 4.081 ( -5.713 4.500 1.025) 7.345 4.127 ( 2.021 6.257 4.411) 7.917 4.198 ( -1.205 1.732 3.586) 4.161 4.331 ( 1.749 6.162 9.722) 11.642 4.377 ( 1.087 -3.268 -0.012) 3.444 4.493 ( 4.251 -1.845 -2.358) 5.199 4.566 ( 10.141 0.926 -0.712) 10.208 4.602 ( 1.114 0.358 5.518) 5.640 4.661 ( 2.555 -4.880 7.232) 9.091 4.723 ( 2.284 -6.665 7.266) 10.121 4.897 ( 6.073 5.403 2.640) 8.547 4.996 ( 2.096 -2.455 4.217) 5.311 5.196 ( -6.800 3.067 -2.179) 7.771 5.323 ( -4.524 -8.065 -1.053) 9.307 5.440 ( -3.391 3.913 -5.601) 7.628 5.500 ( -0.691 -3.287 -7.135) 7.886 5.630 ( -2.499 3.781 -1.081) 4.660 5.686 ( -1.854 -1.823 -2.484) 3.596 5.857 ( 1.629 5.693 -5.226) 7.898 5.869 ( 0.736 4.237 -1.524) 4.562 5.931 ( 0.099 -1.328 -1.072) 1.710 5.961 ( -2.122 -4.511 2.639) 5.641 6.098 ( 0.425 1.046 2.240) 2.509 6.111 ( 2.143 -0.486 0.975) 2.404 6.140 ( 1.009 4.395 -0.917) 4.602 6.204 ( 3.840 1.671 -3.400) 5.395 6.300 ( -0.387 -4.865 0.226) 4.885 6.311 ( 3.388 -2.332 -0.617) 4.159 6.479 ( 2.035 3.763 -7.194) 8.370 6.555 ( 2.578 -0.642 0.876) 2.797 6.589 ( 1.329 1.112 -4.374) 4.705 6.630 ( 3.634 -0.552 0.748) 3.751 6.895 ( -2.352 -3.132 5.363) 6.641 6.903 ( -2.939 -3.736 6.310) 7.900 7.083 ( -3.134 6.820 3.300) 8.199 7.196 ( 0.500 -3.623 -0.721) 3.727 7.278 ( 5.411 3.718 -3.038) 7.234 7.345 ( 6.526 -2.303 -4.066) 8.026 7.440 ( 0.808 3.944 -3.508) 5.340 7.476 ( 1.206 0.559 2.901) 3.191 7.537 ( 3.429 6.518 -5.135) 8.979 7.656 ( 0.287 -6.410 -4.008) 7.566 7.865 ( -4.300 3.558 4.011) 6.873 7.918 ( -3.167 -1.319 2.577) 4.291 8.134 ( -10.425 1.087 -0.922) 10.522 8.154 ( -10.927 -0.689 4.318) 11.770 8.324 ( -6.440 3.071 2.136) 7.447 8.380 ( -2.322 4.033 -4.672) 6.594 8.386 ( -3.739 -2.975 5.463) 7.257 8.487 ( 0.960 -5.757 -1.986) 6.165 8.543 ( 6.435 2.617 -0.531) 6.967 8.607 ( 6.455 -2.911 0.466) 7.097 8.779 ( -2.466 4.840 0.159) 5.435 8.848 ( -3.400 -2.329 -1.752) 4.478 9.016 ( -1.961 3.456 0.215) 3.979 9.049 ( -1.670 -0.433 8.088) 8.270 9.067 ( -0.430 0.779 2.713) 2.855 9.117 ( -3.759 -2.451 1.398) 4.700 9.173 ( -1.616 2.044 2.603) 3.683 9.246 ( 2.128 -5.558 3.690) 7.002 9.349 ( -1.487 -0.687 8.351) 8.510 9.355 ( -1.072 -0.786 6.295) 6.434 9.535 ( -0.817 4.778 -0.258) 4.854 9.626 ( -0.827 -4.340 -2.023) 4.859 9.676 ( 0.742 9.320 5.996) 11.107 9.906 ( -1.458 -15.049 6.042) 16.282 10.132 ( -5.492 9.443 -0.664) 10.944 10.229 ( -5.859 4.241 1.474) 7.382 10.259 ( -8.299 -2.288 0.660) 8.634 10.438 ( -3.193 -7.147 -0.426) 7.839 10.553 ( -4.441 -0.717 0.803) 4.570 10.645 ( -0.408 -4.017 0.474) 4.065 11.184 ( -4.822 16.063 -3.233) 17.080 11.435 ( -5.416 -10.165 -3.823) 12.136 12.400 ( 9.354 3.600 -8.860) 13.377 12.477 ( 8.742 -3.979 -6.624) 11.667 12.823 ( 4.838 7.314 0.021) 8.769 12.982 ( 4.930 -8.942 -2.393) 10.488 13.220 ( 2.536 1.787 -4.531) 5.492 13.224 ( 5.729 1.511 -12.712) 14.025 13.309 ( 6.277 -0.237 -14.655) 15.944 13.338 ( 3.242 -2.958 -6.007) 7.440 13.458 ( 10.492 5.557 1.222) 11.936 13.590 ( 12.612 -8.194 1.207) 15.088 13.757 ( -5.099 6.151 -12.657) 14.968 13.892 ( -5.800 -7.482 -11.659) 15.018 14.195 ( -3.427 4.913 -4.146) 7.285 14.265 ( -3.732 -1.255 -10.214) 10.947 14.373 ( -3.267 1.445 -12.999) 13.481 14.421 ( -4.419 -2.649 -18.404) 19.112 14.820 ( 2.107 14.678 -3.165) 15.163 15.077 ( 7.621 -11.758 -6.588) 15.483 15.504 ( -2.770 5.675 -5.363) 8.284 15.608 ( 1.284 -4.910 -3.894) 6.397 15.672 ( -1.794 1.917 -0.261) 2.639 15.703 ( -0.154 -1.146 -0.691) 1.347 16.015 ( 5.934 1.439 7.554) 9.713 16.061 ( 4.565 -3.176 5.468) 7.798 16.260 ( 0.540 4.774 8.538) 9.797 16.366 ( 1.029 -6.249 10.270) 12.066 16.693 ( -5.745 1.001 17.711) 18.647 16.718 ( -6.109 -1.730 14.044) 15.413 16.761 ( -3.544 0.544 4.266) 5.573 16.794 ( -2.721 -2.741 9.449) 10.208 16.850 ( -3.478 3.274 20.511) 21.059 16.911 ( -2.882 -3.171 21.086) 21.517 23.864 ( -4.053 15.667 -3.716) 16.604 23.894 ( -0.213 5.165 0.069) 5.170 24.015 ( -0.140 -6.036 0.226) 6.042 24.132 ( -5.104 -10.722 -4.487) 12.694 24.772 ( 5.967 4.283 -1.739) 7.549 24.824 ( 4.713 0.948 -2.680) 5.504 24.949 ( 2.531 -2.016 0.693) 3.309 24.975 ( 2.314 -2.667 0.850) 3.632 25.148 ( 6.528 0.502 -3.408) 7.382 25.181 ( 3.354 -0.477 -2.421) 4.164 25.207 ( 8.389 -1.615 -5.870) 10.365 25.219 ( 1.833 -1.201 -0.212) 2.202 25.304 ( -0.631 4.399 -0.559) 4.479 25.373 ( 0.786 2.893 0.002) 2.998 25.397 ( -0.164 -1.419 -2.300) 2.708 25.519 ( 7.001 -9.634 -3.660) 12.459 27.104 ( -2.255 3.879 -4.951) 6.682 27.147 ( -1.885 -0.705 -3.490) 4.028 27.319 ( 0.570 7.987 -5.791) 9.882 27.367 ( 7.071 2.738 -6.939) 10.279 27.455 ( 3.218 1.499 -4.077) 5.406 27.591 ( -2.015 -8.229 -8.724) 12.161 28.046 ( -2.470 5.959 -7.569) 9.945 28.153 ( 1.922 -4.664 -11.028) 12.127 28.731 ( -0.337 1.315 -1.714) 2.187 28.759 ( -0.661 -1.502 -3.205) 3.601 29.034 ( -8.557 5.967 10.992) 15.154 29.168 ( -8.217 -7.154 -3.834) 11.550 29.448 ( 7.218 6.466 2.765) 10.077 29.649 ( 2.099 -16.607 20.059) 26.125 30.410 ( -19.220 12.785 15.037) 27.550 30.572 ( -15.224 -5.431 10.275) 19.153 ======================= Grid point 30 (15/40) ======================= q-point: ( 0.29 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 16.901 10.147 12.258) 23.213 1.289 ( 8.164 -13.201 8.878) 17.881 1.587 ( 24.325 16.984 8.101) 30.753 1.911 ( 17.275 -15.182 13.421) 26.628 2.002 ( 19.586 10.623 10.385) 24.583 2.187 ( 3.206 -3.709 2.347) 5.436 2.301 ( 13.472 7.102 2.570) 15.445 2.332 ( 4.553 1.510 6.866) 8.375 2.393 ( 3.031 -1.253 6.622) 7.390 2.420 ( 5.798 -5.544 5.877) 9.945 2.577 ( 20.904 14.355 13.652) 28.799 2.641 ( 2.734 4.777 4.757) 7.275 2.763 ( -0.230 -1.026 5.844) 5.938 2.891 ( -2.459 -1.026 -0.708) 2.757 2.912 ( 3.148 -9.153 1.561) 9.804 3.015 ( 1.693 -7.223 1.549) 7.579 3.067 ( -7.089 -2.812 1.740) 7.822 3.095 ( -7.622 -3.510 0.634) 8.415 3.233 ( -2.134 1.880 3.245) 4.315 3.304 ( -3.804 -5.275 7.115) 9.640 3.360 ( -3.647 2.086 1.249) 4.383 3.402 ( -7.523 -1.015 -2.358) 7.949 3.498 ( 4.623 -4.593 1.560) 6.700 3.513 ( -4.950 -6.363 1.548) 8.209 3.615 ( -3.886 8.470 2.241) 9.585 3.715 ( -5.866 -1.388 4.147) 7.317 3.773 ( -5.691 -1.690 -0.475) 5.956 3.833 ( 1.171 -4.184 -3.944) 5.868 3.878 ( 0.409 9.738 4.204) 10.615 3.973 ( -2.572 7.184 1.217) 7.726 4.044 ( 1.112 -4.873 6.087) 7.876 4.130 ( -0.123 -6.141 4.935) 7.879 4.206 ( -0.983 4.379 5.135) 6.820 4.350 ( -1.305 -7.650 3.877) 8.675 4.396 ( 1.821 12.955 8.313) 15.500 4.492 ( -1.703 0.926 5.136) 5.489 4.555 ( -4.430 -0.486 8.338) 9.454 4.678 ( 2.078 -6.589 8.638) 11.061 4.803 ( 6.175 3.757 3.324) 7.956 4.831 ( 4.276 3.186 -0.535) 5.359 4.964 ( 1.669 0.462 -3.855) 4.226 4.994 ( -6.330 -2.529 -0.614) 6.844 5.134 ( 6.314 5.081 -0.710) 8.135 5.267 ( -0.500 -6.606 0.462) 6.641 5.381 ( -0.823 0.859 1.337) 1.789 5.431 ( -5.221 -3.033 0.126) 6.039 5.616 ( 0.259 1.669 -7.222) 7.417 5.646 ( -2.878 -0.782 -3.204) 4.377 5.837 ( -3.666 4.481 1.245) 5.921 5.853 ( -0.996 4.169 0.871) 4.374 5.949 ( 0.839 -3.992 -2.828) 4.964 5.968 ( 1.650 -4.281 -2.733) 5.341 6.096 ( 0.947 3.277 2.479) 4.217 6.150 ( 1.157 -2.432 1.724) 3.198 6.178 ( 1.162 3.769 1.044) 4.080 6.269 ( 0.387 -5.703 3.457) 6.680 6.321 ( 5.967 4.717 -4.152) 8.666 6.381 ( 3.890 -1.141 -1.182) 4.222 6.564 ( 4.250 1.271 -3.524) 5.665 6.593 ( -0.067 4.005 -0.565) 4.045 6.618 ( 2.898 -2.811 -1.721) 4.389 6.664 ( -0.124 -0.279 0.049) 0.309 6.833 ( -3.314 -2.658 4.799) 6.409 6.856 ( -2.083 -4.557 5.080) 7.135 7.046 ( 0.020 10.551 3.365) 11.075 7.240 ( 3.605 -6.484 -0.366) 7.428 7.337 ( -1.006 6.793 -3.112) 7.539 7.444 ( 1.756 -2.053 -5.461) 6.092 7.508 ( 5.094 2.759 -3.850) 6.955 7.539 ( 5.791 0.742 2.655) 6.413 7.609 ( 3.848 0.830 1.183) 4.111 7.649 ( -0.164 -3.382 -1.670) 3.775 7.786 ( -3.018 1.483 3.682) 4.986 7.841 ( -4.839 -4.377 1.750) 6.756 7.925 ( -7.944 0.633 2.347) 8.307 7.955 ( -8.196 -2.219 2.605) 8.881 8.172 ( -7.123 4.765 7.433) 11.344 8.280 ( -4.244 -5.459 10.952) 12.953 8.319 ( -5.679 7.083 -5.419) 10.573 8.443 ( -4.778 -6.063 -0.065) 7.720 8.688 ( 5.957 3.183 -0.295) 6.760 8.736 ( 5.299 -1.780 -0.238) 5.595 8.753 ( 1.475 1.915 0.067) 2.418 8.794 ( -0.636 -2.202 -1.014) 2.506 8.952 ( 0.387 7.551 0.647) 7.589 9.019 ( -2.121 -0.396 5.494) 5.902 9.045 ( -3.938 -1.340 4.218) 5.924 9.097 ( 0.580 -4.396 1.961) 4.848 9.151 ( -2.719 3.945 2.334) 5.329 9.245 ( -4.355 -5.509 2.542) 7.469 9.328 ( 1.371 2.074 2.485) 3.515 9.394 ( 2.323 -2.562 0.690) 3.526 9.518 ( -0.739 5.532 -0.634) 5.617 9.602 ( -2.013 2.804 0.535) 3.492 9.655 ( -1.188 -0.344 2.027) 2.375 9.795 ( -8.264 -9.232 1.700) 12.506 9.980 ( -8.521 4.193 -1.063) 9.556 10.048 ( -6.456 -2.250 0.704) 6.873 10.108 ( -7.214 6.877 2.549) 10.287 10.357 ( -6.038 -15.143 0.031) 16.302 10.504 ( 2.052 10.507 -0.137) 10.707 10.690 ( 5.036 -7.507 -0.863) 9.081 11.039 ( -9.033 15.819 -2.583) 18.399 11.282 ( -9.307 -9.689 -3.421) 13.864 12.655 ( 14.729 3.526 -9.010) 17.623 12.729 ( 14.773 -3.754 -7.750) 17.100 12.955 ( 6.922 6.693 -1.803) 9.796 13.112 ( 6.674 -9.291 -3.631) 12.002 13.224 ( -0.948 3.803 -0.819) 4.004 13.303 ( 1.013 -3.516 -3.019) 4.744 13.428 ( 7.066 3.998 -12.954) 15.288 13.497 ( 10.503 -2.967 -16.776) 20.014 13.603 ( -8.829 5.434 -12.618) 16.331 13.685 ( 9.315 5.132 -5.148) 11.816 13.724 ( -8.178 -4.756 -9.650) 13.513 13.839 ( 10.037 -8.734 -1.288) 13.367 14.091 ( -7.106 5.121 -6.279) 10.777 14.157 ( -6.511 -0.479 -11.576) 13.290 14.273 ( -7.296 -0.762 -13.740) 15.576 14.299 ( -6.394 -2.417 -11.524) 13.399 14.900 ( 5.476 15.762 0.028) 16.686 15.204 ( 3.908 -13.545 -4.133) 14.691 15.404 ( -6.340 3.364 -0.193) 7.180 15.536 ( -5.703 -7.975 -0.531) 9.819 15.734 ( 7.587 7.416 -1.473) 10.711 15.826 ( 10.243 -2.391 -1.693) 10.654 16.149 ( 5.341 0.108 8.130) 9.728 16.159 ( 5.337 -0.688 8.002) 9.643 16.286 ( 1.947 6.202 7.064) 9.600 16.403 ( 1.527 -5.371 8.383) 10.072 16.586 ( -4.054 1.275 13.173) 13.842 16.597 ( -5.634 -0.270 5.482) 7.866 16.668 ( -5.248 1.103 7.310) 9.066 16.711 ( -4.689 -1.609 16.163) 16.906 16.770 ( -4.286 1.890 16.695) 17.340 16.836 ( -4.084 -3.796 17.825) 18.676 23.837 ( 0.411 10.869 -0.783) 10.905 23.888 ( -0.454 5.629 0.047) 5.647 24.016 ( 0.116 -6.771 -0.038) 6.772 24.060 ( -2.125 -10.908 -1.785) 11.256 24.871 ( 4.041 3.963 -2.009) 6.006 24.911 ( 4.382 1.582 -1.822) 5.002 24.999 ( 2.150 -2.007 0.067) 2.942 25.031 ( 2.714 -3.282 0.673) 4.311 25.199 ( 0.503 1.524 -0.500) 1.681 25.217 ( 0.762 1.163 -1.925) 2.374 25.266 ( -0.068 1.409 0.669) 1.561 25.297 ( 2.743 3.365 -4.250) 6.075 25.338 ( 0.360 -2.409 -3.351) 4.142 25.381 ( 3.369 -3.083 -4.874) 6.679 25.417 ( 1.236 8.501 -2.334) 8.902 25.627 ( 1.548 -12.503 -8.809) 15.373 27.079 ( -0.145 4.124 -2.088) 4.624 27.137 ( 0.796 0.566 -1.666) 1.932 27.262 ( -3.543 6.451 -0.063) 7.360 27.470 ( -3.002 -10.981 -5.955) 12.847 27.547 ( 6.726 4.013 -4.897) 9.237 27.639 ( 9.524 -4.289 -5.936) 12.014 27.985 ( -3.837 11.398 -11.252) 16.469 28.165 ( -1.488 -7.229 -15.589) 17.248 28.724 ( -0.246 0.955 -1.701) 1.966 28.744 ( -0.608 -1.142 -2.655) 2.953 28.869 ( -7.033 4.031 7.913) 11.328 28.961 ( -10.411 -5.148 4.342) 12.399 29.587 ( 6.344 4.416 4.495) 8.941 29.698 ( 3.029 -7.371 10.738) 13.372 30.085 ( -12.518 9.925 14.093) 21.303 30.239 ( -15.608 -6.076 11.634) 20.393 ======================= Grid point 31 (16/40) ======================= q-point: ( 0.43 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 23.324 4.964 6.251) 24.652 1.581 ( 20.026 -3.988 2.933) 20.629 1.918 ( -13.832 5.276 4.466) 15.463 2.021 ( -15.484 -4.073 2.642) 16.227 2.106 ( 14.537 9.662 4.685) 18.073 2.287 ( 6.836 -1.693 4.162) 8.181 2.393 ( 8.904 -0.325 8.188) 12.101 2.413 ( -0.758 0.903 2.628) 2.881 2.474 ( -1.220 0.744 1.288) 1.924 2.598 ( 9.439 -10.096 4.647) 14.581 2.710 ( -2.588 0.452 9.898) 10.241 2.786 ( 1.877 0.718 5.140) 5.519 2.860 ( 2.009 2.141 -0.092) 2.938 2.896 ( 5.484 1.167 -3.337) 6.525 2.930 ( -1.816 -0.750 0.900) 2.161 2.963 ( 5.298 0.017 1.803) 5.597 3.064 ( 5.481 5.956 2.703) 8.533 3.074 ( 0.117 2.937 5.029) 5.825 3.106 ( -10.872 1.634 1.326) 11.074 3.136 ( -6.037 -1.321 0.738) 6.223 3.256 ( -1.974 -1.890 2.488) 3.696 3.416 ( 0.706 -8.845 2.724) 9.282 3.453 ( -2.901 3.176 0.567) 4.338 3.514 ( -7.843 -2.090 5.215) 9.647 3.602 ( 8.180 1.746 3.073) 8.911 3.646 ( 1.213 -3.527 5.377) 6.544 3.713 ( 0.247 -1.732 3.198) 3.645 3.824 ( -4.136 -7.369 -3.622) 9.194 3.946 ( 4.448 8.177 3.119) 9.817 3.981 ( 2.771 5.991 4.055) 7.747 4.079 ( 0.582 -3.917 3.487) 5.277 4.131 ( -2.879 -2.942 6.855) 7.996 4.177 ( 3.044 -0.732 8.086) 8.671 4.280 ( -5.138 0.407 5.968) 7.885 4.374 ( -3.054 -10.130 6.151) 12.239 4.408 ( -4.012 -6.345 5.770) 9.468 4.586 ( 6.350 10.627 8.368) 14.942 4.706 ( 0.743 -1.020 7.685) 7.788 4.730 ( -4.600 5.888 5.847) 9.488 4.770 ( -8.985 0.158 5.106) 10.336 5.026 ( 7.087 6.539 -0.044) 9.643 5.078 ( 4.255 2.899 -5.002) 7.178 5.220 ( -1.467 -3.113 1.269) 3.667 5.248 ( -1.324 -4.690 -2.986) 5.716 5.383 ( 4.247 3.533 -0.386) 5.538 5.448 ( 4.603 -2.162 -0.861) 5.157 5.549 ( -5.603 -1.226 -1.559) 5.944 5.583 ( -3.967 -3.994 -4.947) 7.494 5.799 ( 0.578 7.833 1.648) 8.025 5.830 ( -1.544 6.843 -0.215) 7.018 5.953 ( 0.406 -7.085 -0.446) 7.111 5.973 ( -1.020 -6.850 -1.462) 7.078 6.132 ( 2.381 3.454 1.663) 4.512 6.177 ( -1.384 3.859 2.750) 4.936 6.197 ( 3.363 -3.222 2.022) 5.078 6.258 ( -1.911 -4.476 3.944) 6.264 6.461 ( 5.805 3.286 -2.717) 7.203 6.465 ( 4.835 2.802 -2.686) 6.201 6.554 ( -2.856 3.346 0.079) 4.400 6.585 ( -3.410 -0.025 -1.044) 3.566 6.680 ( 3.109 -0.255 0.091) 3.121 6.705 ( 4.254 -3.266 0.080) 5.364 6.767 ( -2.928 -2.616 3.866) 5.510 6.802 ( -3.283 -5.044 3.993) 7.222 7.098 ( 5.129 13.966 2.121) 15.029 7.228 ( -6.266 13.835 0.116) 15.188 7.363 ( 5.469 -12.468 -0.128) 13.615 7.447 ( -1.721 -6.026 -3.029) 6.960 7.570 ( 2.441 1.486 -0.570) 2.915 7.622 ( -0.871 -1.135 0.271) 1.456 7.646 ( 0.850 -3.840 -1.968) 4.398 7.679 ( -3.666 -7.048 2.476) 8.321 7.737 ( 2.754 2.932 1.373) 4.251 7.790 ( 2.585 -1.108 -1.234) 3.071 7.821 ( -3.377 0.079 0.283) 3.390 7.852 ( -2.668 -1.965 -1.071) 3.482 8.086 ( -0.292 9.660 8.279) 12.726 8.168 ( -7.213 10.115 1.406) 12.503 8.248 ( 1.211 -6.889 10.151) 12.328 8.326 ( -5.670 -6.474 4.060) 9.515 8.776 ( 2.730 2.461 1.241) 3.879 8.798 ( 2.294 2.336 0.744) 3.358 8.816 ( 2.949 -0.664 1.476) 3.364 8.854 ( 3.906 -2.654 0.443) 4.743 8.947 ( -3.559 0.961 4.171) 5.567 8.969 ( -0.167 -0.820 3.478) 3.578 9.013 ( -3.253 2.523 -0.328) 4.130 9.064 ( -5.029 -1.940 -0.454) 5.409 9.083 ( 2.104 3.267 0.917) 3.993 9.198 ( 5.365 -4.578 1.304) 7.172 9.275 ( -8.448 4.058 0.111) 9.373 9.352 ( -5.015 -1.682 0.050) 5.290 9.546 ( 1.864 2.048 -0.175) 2.775 9.576 ( -0.919 4.091 0.464) 4.219 9.635 ( -0.115 -4.670 -0.048) 4.671 9.665 ( -3.128 -3.787 0.816) 4.979 9.871 ( -0.107 7.590 0.607) 7.615 9.951 ( -6.285 10.354 1.519) 12.207 10.059 ( 4.790 -12.337 0.309) 13.237 10.204 ( -8.134 -15.938 -0.008) 17.894 10.626 ( 8.893 13.976 -1.767) 16.660 10.830 ( -7.667 12.215 -2.646) 14.663 10.849 ( 6.891 -5.893 -1.868) 9.258 11.068 ( -11.223 -9.435 -2.990) 14.964 12.959 ( 13.305 3.841 -7.558) 15.777 13.038 ( 14.111 -3.915 -6.445) 15.999 13.065 ( 2.739 5.674 -3.765) 7.340 13.194 ( 0.059 -6.637 -3.769) 7.633 13.205 ( 0.348 4.322 -2.375) 4.944 13.316 ( 1.688 -6.547 -3.404) 7.570 13.354 ( -12.021 4.393 -11.037) 16.900 13.455 ( -11.308 -5.710 -10.189) 16.257 13.655 ( 11.276 7.080 -12.281) 18.113 13.765 ( 12.227 -4.361 -16.603) 21.075 13.883 ( -0.942 5.733 -10.500) 12.000 13.912 ( -0.794 6.029 -6.651) 9.012 13.990 ( -6.345 -4.164 -12.452) 14.582 14.031 ( 4.195 -5.752 -3.384) 7.883 14.090 ( -9.015 2.009 -11.607) 14.833 14.173 ( -6.475 -5.329 -4.532) 9.532 15.032 ( 7.310 14.386 0.653) 16.150 15.184 ( -6.461 9.602 -0.867) 11.605 15.341 ( 1.961 -14.405 0.171) 14.539 15.421 ( -5.153 -11.706 -0.261) 12.793 15.936 ( 10.721 9.018 0.220) 14.011 16.045 ( 7.783 0.582 -0.257) 7.808 16.156 ( -2.217 0.414 6.096) 6.500 16.243 ( -1.479 -5.449 5.622) 7.968 16.353 ( 4.807 3.254 6.650) 8.827 16.405 ( 0.831 -1.274 5.940) 6.131 16.481 ( -5.061 0.774 8.213) 9.678 16.519 ( -5.194 -2.321 7.907) 9.741 16.597 ( 0.906 4.572 12.798) 13.620 16.651 ( -2.225 3.440 13.183) 13.805 16.699 ( -0.652 -3.177 16.754) 17.065 16.752 ( -4.014 -4.325 16.093) 17.140 23.855 ( 1.091 8.137 -0.276) 8.214 23.875 ( -0.796 6.559 -0.054) 6.607 24.020 ( 0.377 -7.754 -0.396) 7.773 24.032 ( -0.832 -9.230 -0.881) 9.309 24.947 ( 3.298 3.931 -1.266) 5.285 24.982 ( 1.137 2.848 -0.949) 3.210 25.031 ( 1.744 -3.552 -1.333) 4.176 25.063 ( -0.118 -4.239 -0.273) 4.249 25.206 ( 0.236 2.803 -1.034) 2.997 25.213 ( -0.561 4.274 -1.734) 4.647 25.264 ( 0.689 -2.214 -0.908) 2.490 25.293 ( -2.027 -3.112 -1.742) 4.102 25.371 ( 2.802 5.970 -3.790) 7.607 25.415 ( -1.265 8.393 -3.215) 9.077 25.486 ( 5.472 -5.362 -5.259) 9.293 25.590 ( -4.237 -8.885 -6.734) 11.926 27.096 ( 1.738 6.111 -0.235) 6.358 27.139 ( -1.767 8.320 0.084) 8.506 27.246 ( 3.209 -7.591 -0.313) 8.247 27.354 ( -6.384 -12.120 -1.999) 13.844 27.715 ( 8.423 8.785 -7.111) 14.096 27.849 ( 5.772 0.871 -9.360) 11.031 27.887 ( -1.456 4.957 -9.351) 10.684 28.068 ( -8.131 -7.992 -13.728) 17.845 28.726 ( 0.660 0.880 0.003) 1.100 28.743 ( 0.730 -0.756 0.329) 1.101 28.764 ( -3.181 1.519 3.829) 5.205 28.798 ( -5.049 -1.829 4.879) 7.255 29.717 ( 6.663 3.642 6.381) 9.918 29.788 ( 5.823 -3.201 8.366) 10.684 29.876 ( -8.198 4.419 9.961) 13.636 29.967 ( -10.890 -4.340 9.866) 15.322 ======================= Grid point 42 (17/40) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 26.873) 26.873 1.273 ( 0.000 0.000 28.459) 28.459 1.531 ( 0.000 0.000 20.977) 20.977 1.842 ( 0.000 0.000 8.086) 8.086 1.926 ( 0.000 0.000 5.970) 5.970 2.059 ( 0.000 0.000 12.373) 12.373 2.096 ( 0.000 0.000 5.962) 5.962 2.219 ( 0.000 0.000 10.568) 10.568 2.372 ( 0.000 0.000 29.571) 29.571 2.482 ( 0.000 0.000 22.951) 22.951 2.678 ( 0.000 0.000 5.462) 5.462 2.871 ( 0.000 0.000 2.772) 2.772 2.926 ( 0.000 0.000 7.720) 7.720 2.971 ( 0.000 0.000 7.820) 7.820 3.085 ( 0.000 0.000 -5.440) 5.440 3.095 ( 0.000 0.000 -12.170) 12.170 3.226 ( 0.000 0.000 5.397) 5.397 3.226 ( 0.000 0.000 6.999) 6.999 3.233 ( 0.000 0.000 3.095) 3.095 3.352 ( 0.000 0.000 5.112) 5.112 3.462 ( 0.000 0.000 -5.439) 5.439 3.492 ( 0.000 0.000 -3.983) 3.983 3.516 ( 0.000 0.000 3.023) 3.023 3.645 ( 0.000 0.000 5.341) 5.341 3.730 ( 0.000 0.000 -0.208) 0.208 3.813 ( 0.000 0.000 5.073) 5.073 4.022 ( 0.000 0.000 1.218) 1.218 4.036 ( 0.000 0.000 -0.260) 0.260 4.123 ( 0.000 0.000 -5.450) 5.450 4.140 ( 0.000 0.000 7.095) 7.095 4.205 ( 0.000 0.000 10.095) 10.095 4.224 ( 0.000 0.000 1.771) 1.771 4.260 ( 0.000 0.000 8.153) 8.153 4.326 ( 0.000 0.000 6.949) 6.949 4.340 ( 0.000 0.000 2.013) 2.013 4.360 ( 0.000 0.000 2.850) 2.850 4.619 ( 0.000 0.000 5.593) 5.593 4.743 ( 0.000 0.000 7.075) 7.075 4.818 ( 0.000 0.000 12.087) 12.087 4.866 ( 0.000 0.000 12.009) 12.009 5.085 ( 0.000 0.000 9.283) 9.283 5.111 ( 0.000 0.000 -8.132) 8.132 5.157 ( 0.000 0.000 10.602) 10.602 5.329 ( 0.000 0.000 -7.564) 7.564 5.407 ( 0.000 0.000 0.448) 0.448 5.466 ( 0.000 0.000 -5.516) 5.516 5.599 ( 0.000 0.000 1.121) 1.121 5.635 ( 0.000 0.000 2.019) 2.019 5.716 ( 0.000 0.000 4.299) 4.299 5.759 ( 0.000 0.000 -0.413) 0.413 5.918 ( 0.000 0.000 -6.778) 6.778 5.982 ( 0.000 0.000 -3.459) 3.459 6.035 ( 0.000 0.000 -4.820) 4.820 6.105 ( 0.000 0.000 -2.971) 2.971 6.131 ( 0.000 0.000 1.412) 1.412 6.171 ( 0.000 0.000 -3.552) 3.552 6.205 ( 0.000 0.000 -1.080) 1.080 6.222 ( 0.000 0.000 2.777) 2.777 6.397 ( 0.000 0.000 0.651) 0.651 6.515 ( 0.000 0.000 -1.486) 1.486 6.615 ( 0.000 0.000 5.778) 5.778 6.680 ( 0.000 0.000 3.717) 3.717 7.054 ( 0.000 0.000 5.064) 5.064 7.080 ( 0.000 0.000 4.380) 4.380 7.157 ( 0.000 0.000 -0.467) 0.467 7.180 ( 0.000 0.000 0.298) 0.298 7.185 ( 0.000 0.000 -2.494) 2.494 7.192 ( 0.000 0.000 -4.305) 4.305 7.290 ( 0.000 0.000 -3.664) 3.664 7.297 ( 0.000 0.000 -1.126) 1.126 7.582 ( 0.000 0.000 6.946) 6.946 7.735 ( 0.000 0.000 -1.172) 1.172 7.879 ( 0.000 0.000 -2.981) 2.981 7.927 ( 0.000 0.000 -2.084) 2.084 8.124 ( 0.000 0.000 -2.123) 2.123 8.235 ( 0.000 0.000 -5.098) 5.098 8.356 ( 0.000 0.000 1.760) 1.760 8.395 ( 0.000 0.000 1.711) 1.711 8.421 ( 0.000 0.000 2.810) 2.810 8.501 ( 0.000 0.000 2.506) 2.506 8.622 ( 0.000 0.000 8.118) 8.118 8.644 ( 0.000 0.000 -1.705) 1.705 8.729 ( 0.000 0.000 1.135) 1.135 8.874 ( 0.000 0.000 -1.985) 1.985 8.973 ( 0.000 0.000 -0.912) 0.912 9.139 ( 0.000 0.000 -0.192) 0.192 9.154 ( 0.000 0.000 6.838) 6.838 9.187 ( 0.000 0.000 0.402) 0.402 9.241 ( 0.000 0.000 2.427) 2.427 9.421 ( 0.000 0.000 3.119) 3.119 9.466 ( 0.000 0.000 3.970) 3.970 9.489 ( 0.000 0.000 3.352) 3.352 9.608 ( 0.000 0.000 1.698) 1.698 9.614 ( 0.000 0.000 1.062) 1.062 9.709 ( 0.000 0.000 -0.236) 0.236 10.071 ( 0.000 0.000 2.636) 2.636 10.157 ( 0.000 0.000 -18.927) 18.927 10.310 ( 0.000 0.000 3.731) 3.731 10.387 ( 0.000 0.000 7.231) 7.231 10.466 ( 0.000 0.000 4.532) 4.532 10.701 ( 0.000 0.000 -0.805) 0.805 10.735 ( 0.000 0.000 -0.043) 0.043 10.838 ( 0.000 0.000 -8.282) 8.282 11.419 ( 0.000 0.000 -12.075) 12.075 12.101 ( 0.000 0.000 -4.765) 4.765 12.573 ( 0.000 0.000 2.931) 2.931 12.672 ( 0.000 0.000 -7.273) 7.273 12.841 ( 0.000 0.000 -8.939) 8.939 12.871 ( 0.000 0.000 -13.861) 13.861 13.016 ( 0.000 0.000 -0.225) 0.225 13.020 ( 0.000 0.000 -3.821) 3.821 13.191 ( 0.000 0.000 -4.055) 4.055 13.415 ( 0.000 0.000 1.061) 1.061 13.434 ( 0.000 0.000 -15.954) 15.954 13.537 ( 0.000 0.000 -0.780) 0.780 13.768 ( 0.000 0.000 -15.171) 15.171 13.857 ( 0.000 0.000 -17.440) 17.440 14.033 ( 0.000 0.000 -7.144) 7.144 14.118 ( 0.000 0.000 -15.755) 15.755 14.323 ( 0.000 0.000 -3.948) 3.948 14.692 ( 0.000 0.000 5.139) 5.139 14.975 ( 0.000 0.000 -0.253) 0.253 15.345 ( 0.000 0.000 -8.805) 8.805 15.492 ( 0.000 0.000 -7.009) 7.009 15.647 ( 0.000 0.000 -3.554) 3.554 15.654 ( 0.000 0.000 -3.685) 3.685 16.151 ( 0.000 0.000 7.668) 7.668 16.169 ( 0.000 0.000 11.076) 11.076 16.365 ( 0.000 0.000 7.794) 7.794 16.524 ( 0.000 0.000 1.542) 1.542 16.804 ( 0.000 0.000 0.406) 0.406 16.952 ( 0.000 0.000 -0.434) 0.434 17.143 ( 0.000 0.000 17.442) 17.442 17.216 ( 0.000 0.000 17.070) 17.070 17.271 ( 0.000 0.000 18.099) 18.099 17.404 ( 0.000 0.000 18.769) 18.769 23.662 ( 0.000 0.000 1.047) 1.047 23.844 ( 0.000 0.000 -0.648) 0.648 24.082 ( 0.000 0.000 -0.205) 0.205 24.149 ( 0.000 0.000 -5.873) 5.873 24.734 ( 0.000 0.000 3.960) 3.960 24.734 ( 0.000 0.000 3.045) 3.045 24.952 ( 0.000 0.000 1.257) 1.257 24.954 ( 0.000 0.000 1.463) 1.463 24.995 ( 0.000 0.000 0.120) 0.120 25.060 ( 0.000 0.000 -2.382) 2.382 25.179 ( 0.000 0.000 -0.109) 0.109 25.198 ( 0.000 0.000 -0.929) 0.929 25.288 ( 0.000 0.000 -2.450) 2.450 25.320 ( 0.000 0.000 2.047) 2.047 25.353 ( 0.000 0.000 -6.296) 6.296 25.464 ( 0.000 0.000 -2.947) 2.947 27.055 ( 0.000 0.000 3.626) 3.626 27.073 ( 0.000 0.000 -4.933) 4.933 27.180 ( 0.000 0.000 -1.150) 1.150 27.191 ( 0.000 0.000 -2.440) 2.440 27.295 ( 0.000 0.000 -5.281) 5.281 27.535 ( 0.000 0.000 -4.192) 4.192 27.940 ( 0.000 0.000 -10.568) 10.568 27.984 ( 0.000 0.000 -5.013) 5.013 28.654 ( 0.000 0.000 -4.453) 4.453 28.686 ( 0.000 0.000 -5.339) 5.339 28.874 ( 0.000 0.000 -15.000) 15.000 28.894 ( 0.000 0.000 -17.004) 17.004 29.802 ( 0.000 0.000 29.410) 29.410 30.346 ( 0.000 0.000 12.090) 12.090 30.753 ( 0.000 0.000 6.991) 6.991 30.909 ( 0.000 0.000 5.986) 5.986 ======================= Grid point 43 (18/40) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 5.084 0.000 25.371) 25.875 1.375 ( 9.909 0.000 28.461) 30.136 1.688 ( 14.911 0.000 17.129) 22.710 1.900 ( -12.067 0.000 14.703) 19.021 1.972 ( 11.974 0.000 3.057) 12.358 2.044 ( 10.673 0.000 5.500) 12.007 2.168 ( 6.867 0.000 3.977) 7.936 2.304 ( 5.785 0.000 6.407) 8.632 2.486 ( -1.626 0.000 16.571) 16.651 2.510 ( 11.608 0.000 22.704) 25.499 2.626 ( -0.260 0.000 10.813) 10.816 2.849 ( -2.005 0.000 2.628) 3.306 2.935 ( -4.739 0.000 3.976) 6.186 3.015 ( -0.028 0.000 3.875) 3.875 3.070 ( 3.811 0.000 -0.961) 3.930 3.084 ( 0.538 0.000 -6.249) 6.272 3.163 ( -2.903 0.000 11.264) 11.632 3.169 ( -4.339 0.000 2.093) 4.817 3.310 ( -1.497 0.000 8.112) 8.249 3.374 ( -0.428 0.000 -5.818) 5.834 3.429 ( 4.196 0.000 -1.638) 4.504 3.486 ( -1.394 0.000 -2.514) 2.875 3.589 ( 1.383 0.000 2.992) 3.296 3.645 ( 1.770 0.000 5.578) 5.852 3.684 ( -4.526 0.000 0.916) 4.618 3.772 ( -4.116 0.000 0.259) 4.124 3.868 ( -5.921 0.000 -1.590) 6.131 3.977 ( -6.268 0.000 -0.286) 6.275 3.987 ( -9.693 0.000 1.392) 9.792 4.065 ( -3.148 0.000 9.956) 10.442 4.224 ( 2.249 0.000 12.506) 12.707 4.278 ( 1.267 0.000 9.734) 9.816 4.342 ( 0.132 0.000 4.263) 4.265 4.349 ( 8.375 0.000 -2.386) 8.708 4.387 ( 2.834 0.000 3.763) 4.711 4.480 ( 9.656 0.000 8.242) 12.695 4.667 ( 2.231 0.000 1.079) 2.478 4.686 ( -1.784 0.000 9.619) 9.783 4.883 ( 2.218 0.000 12.040) 12.243 4.922 ( 5.411 0.000 9.763) 11.162 5.002 ( -3.647 0.000 2.930) 4.678 5.087 ( -4.839 0.000 7.041) 8.543 5.228 ( 4.246 0.000 5.558) 6.994 5.306 ( -5.156 0.000 -3.840) 6.429 5.331 ( -0.034 0.000 -6.160) 6.160 5.504 ( 0.898 0.000 -4.623) 4.710 5.556 ( -6.581 0.000 -1.033) 6.661 5.656 ( 4.834 0.000 2.749) 5.561 5.720 ( 0.535 0.000 3.866) 3.903 5.794 ( 0.040 0.000 -1.627) 1.628 5.936 ( 1.946 0.000 -5.628) 5.955 5.936 ( -0.675 0.000 -3.248) 3.317 6.071 ( 2.870 0.000 -4.647) 5.462 6.120 ( -3.823 0.000 4.427) 5.849 6.124 ( 0.805 0.000 -5.617) 5.675 6.166 ( 4.094 0.000 3.846) 5.617 6.261 ( 7.460 0.000 -1.831) 7.682 6.289 ( 2.154 0.000 -3.648) 4.237 6.413 ( 2.070 0.000 1.913) 2.819 6.547 ( 2.475 0.000 0.545) 2.534 6.636 ( 1.103 0.000 5.719) 5.824 6.692 ( 0.392 0.000 2.070) 2.107 6.997 ( -3.721 0.000 1.908) 4.182 7.058 ( 0.202 0.000 5.587) 5.591 7.104 ( -3.636 0.000 4.651) 5.904 7.181 ( -0.826 0.000 1.109) 1.383 7.238 ( 4.098 0.000 -2.571) 4.838 7.272 ( 4.475 0.000 -4.241) 6.166 7.327 ( 3.432 0.000 -3.428) 4.851 7.398 ( 9.010 0.000 -2.446) 9.336 7.583 ( 0.269 0.000 5.115) 5.122 7.708 ( -1.975 0.000 -0.664) 2.084 7.938 ( 3.839 0.000 -0.475) 3.868 7.955 ( 1.851 0.000 0.065) 1.852 8.026 ( -6.493 0.000 -2.383) 6.916 8.139 ( -6.607 0.000 -1.090) 6.696 8.322 ( -7.826 0.000 4.676) 9.116 8.417 ( -7.698 0.000 4.281) 8.809 8.445 ( 8.608 0.000 -0.728) 8.639 8.546 ( 8.959 0.000 -1.373) 9.063 8.559 ( -4.160 0.000 5.990) 7.293 8.668 ( 0.041 0.000 1.829) 1.829 8.727 ( 0.048 0.000 0.736) 0.738 8.820 ( -3.789 0.000 -2.367) 4.467 8.894 ( -7.037 0.000 -3.657) 7.930 9.126 ( 0.346 0.000 2.508) 2.532 9.181 ( 1.927 0.000 5.306) 5.645 9.194 ( -0.021 0.000 2.212) 2.212 9.209 ( -2.314 0.000 2.796) 3.629 9.408 ( -1.391 0.000 2.095) 2.515 9.446 ( -5.736 0.000 3.007) 6.476 9.503 ( -0.766 0.000 2.256) 2.382 9.553 ( -4.793 0.000 2.035) 5.207 9.604 ( -2.771 0.000 0.037) 2.771 9.653 ( 3.564 0.000 0.525) 3.602 10.048 ( -2.937 0.000 3.020) 4.212 10.063 ( -8.359 0.000 -11.175) 13.955 10.227 ( -7.193 0.000 2.598) 7.648 10.329 ( -5.302 0.000 5.446) 7.601 10.375 ( -7.499 0.000 3.004) 8.078 10.679 ( -2.213 0.000 -1.911) 2.924 10.776 ( 1.325 0.000 -1.605) 2.081 10.791 ( -4.790 0.000 -7.524) 8.919 11.383 ( -3.950 0.000 -10.825) 11.523 12.194 ( 8.741 0.000 -5.590) 10.376 12.484 ( -0.120 0.000 1.518) 1.522 12.723 ( 4.699 0.000 -7.914) 9.204 12.880 ( 4.589 0.000 -6.980) 8.354 12.933 ( 5.348 0.000 -16.937) 17.761 13.081 ( 4.220 0.000 -5.595) 7.008 13.120 ( 6.908 0.000 -0.452) 6.923 13.283 ( 3.673 0.000 -5.572) 6.674 13.387 ( -4.524 0.000 -15.605) 16.247 13.438 ( 2.515 0.000 -0.578) 2.580 13.628 ( 5.097 0.000 -6.628) 8.362 13.736 ( -0.500 0.000 -11.957) 11.967 13.826 ( -2.946 0.000 -16.115) 16.382 14.015 ( -1.804 0.000 -6.968) 7.198 14.082 ( -3.290 0.000 -13.795) 14.182 14.305 ( -1.800 0.000 -3.850) 4.250 14.715 ( 2.284 0.000 4.762) 5.281 15.121 ( 13.191 0.000 -1.521) 13.278 15.294 ( -4.315 0.000 -7.307) 8.486 15.561 ( 6.810 0.000 -6.459) 9.386 15.618 ( -2.963 0.000 -2.544) 3.905 15.656 ( 0.029 0.000 -3.587) 3.587 16.210 ( 5.242 0.000 7.677) 9.296 16.217 ( 4.713 0.000 10.783) 11.768 16.380 ( 1.118 0.000 8.421) 8.495 16.530 ( 0.921 0.000 2.749) 2.899 16.762 ( -4.017 0.000 0.637) 4.067 16.919 ( -3.821 0.000 2.013) 4.319 17.073 ( -6.040 0.000 17.870) 18.863 17.172 ( -4.344 0.000 16.661) 17.218 17.211 ( -4.099 0.000 19.236) 19.668 17.361 ( -4.104 0.000 18.225) 18.682 23.682 ( 1.792 0.000 0.853) 1.984 23.842 ( -0.260 0.000 -0.511) 0.574 24.081 ( -0.030 0.000 -0.287) 0.289 24.138 ( -0.951 0.000 -4.808) 4.901 24.757 ( 2.581 0.000 3.068) 4.009 24.789 ( 3.527 0.000 0.415) 3.551 24.980 ( 2.163 0.000 0.439) 2.208 24.991 ( 1.785 0.000 -1.068) 2.081 25.062 ( 6.554 0.000 -3.218) 7.302 25.092 ( 2.899 0.000 -2.876) 4.084 25.179 ( -0.095 0.000 -0.468) 0.477 25.209 ( 1.162 0.000 -1.079) 1.586 25.287 ( -0.161 0.000 -2.689) 2.694 25.307 ( -1.066 0.000 1.334) 1.708 25.349 ( -0.645 0.000 -5.158) 5.198 25.491 ( 2.455 0.000 -5.098) 5.658 27.029 ( -0.785 0.000 0.666) 1.030 27.114 ( 1.374 0.000 0.516) 1.468 27.206 ( 1.200 0.000 -2.404) 2.687 27.208 ( 3.356 0.000 -4.240) 5.407 27.347 ( 5.283 0.000 -5.907) 7.925 27.543 ( 0.541 0.000 -4.933) 4.962 27.851 ( -6.752 0.000 -7.262) 9.916 28.007 ( 0.331 0.000 -8.171) 8.178 28.648 ( -0.182 0.000 -4.410) 4.413 28.675 ( -0.556 0.000 -5.264) 5.294 28.887 ( 0.763 0.000 -10.868) 10.894 28.918 ( 1.757 0.000 -13.264) 13.380 29.784 ( -1.317 0.000 25.517) 25.551 30.296 ( -4.812 0.000 11.255) 12.241 30.530 ( -17.787 0.000 13.875) 22.558 30.785 ( -11.595 0.000 6.532) 13.308 ======================= Grid point 44 (19/40) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 12.217 0.000 18.853) 22.465 1.673 ( 18.755 0.000 18.845) 26.588 1.683 ( -6.261 0.000 13.662) 15.028 2.055 ( 17.951 0.000 11.022) 21.065 2.271 ( 15.433 0.000 -0.056) 15.433 2.275 ( -9.721 0.000 4.353) 10.651 2.309 ( 14.276 0.000 4.666) 15.019 2.380 ( 14.128 0.000 -0.028) 14.128 2.543 ( 5.289 0.000 0.636) 5.327 2.620 ( -18.633 0.000 6.273) 19.660 2.722 ( 7.326 0.000 13.924) 15.734 2.746 ( 8.761 0.000 8.185) 11.990 2.803 ( -0.440 0.000 3.701) 3.727 2.934 ( -9.852 0.000 -1.279) 9.935 3.044 ( -4.287 0.000 5.292) 6.810 3.066 ( -3.627 0.000 -0.820) 3.719 3.159 ( 1.508 0.000 0.435) 1.570 3.211 ( 4.396 0.000 4.418) 6.233 3.260 ( -7.703 0.000 -5.606) 9.527 3.314 ( -2.309 0.000 10.205) 10.463 3.411 ( -4.283 0.000 2.737) 5.082 3.492 ( -5.422 0.000 6.306) 8.316 3.538 ( 0.778 0.000 0.466) 0.907 3.627 ( 0.875 0.000 -0.329) 0.935 3.687 ( -4.764 0.000 -1.311) 4.941 3.710 ( 2.468 0.000 -1.716) 3.006 3.800 ( 0.521 0.000 1.069) 1.190 3.808 ( -7.781 0.000 3.666) 8.601 3.887 ( 0.327 0.000 6.012) 6.021 4.077 ( 2.589 0.000 10.588) 10.900 4.286 ( -0.395 0.000 2.846) 2.874 4.325 ( 7.337 0.000 13.268) 15.162 4.363 ( 1.106 0.000 10.192) 10.252 4.455 ( 3.739 0.000 4.313) 5.708 4.480 ( 3.761 0.000 8.121) 8.950 4.629 ( 3.390 0.000 8.746) 9.380 4.669 ( -0.936 0.000 3.501) 3.623 4.760 ( 10.534 0.000 3.497) 11.099 4.907 ( -0.542 0.000 11.375) 11.388 4.921 ( -7.574 0.000 13.471) 15.454 4.974 ( -3.597 0.000 -2.021) 4.125 5.021 ( 4.035 0.000 9.019) 9.880 5.186 ( -2.167 0.000 5.185) 5.619 5.313 ( -1.893 0.000 -4.691) 5.058 5.344 ( 3.125 0.000 -5.712) 6.511 5.416 ( -5.632 0.000 1.605) 5.856 5.517 ( 1.009 0.000 -3.329) 3.478 5.685 ( -7.204 0.000 -2.921) 7.774 5.729 ( 1.930 0.000 6.226) 6.518 5.793 ( 5.812 0.000 -1.081) 5.912 5.979 ( 1.408 0.000 -4.166) 4.398 6.025 ( -3.213 0.000 1.989) 3.779 6.027 ( 5.649 0.000 0.667) 5.688 6.134 ( 1.016 0.000 -4.304) 4.423 6.187 ( 6.757 0.000 -1.259) 6.873 6.265 ( 4.673 0.000 6.184) 7.751 6.313 ( 1.244 0.000 -4.280) 4.458 6.436 ( 7.558 0.000 -2.863) 8.082 6.466 ( 2.008 0.000 0.181) 2.016 6.575 ( 1.044 0.000 6.480) 6.564 6.661 ( 2.130 0.000 1.660) 2.701 6.670 ( -2.869 0.000 0.544) 2.920 6.946 ( -1.904 0.000 1.794) 2.616 7.031 ( -2.347 0.000 6.797) 7.191 7.060 ( -0.936 0.000 7.139) 7.200 7.149 ( -2.900 0.000 0.042) 2.900 7.324 ( 4.252 0.000 -4.094) 5.902 7.394 ( 7.613 0.000 -2.366) 7.972 7.404 ( 3.178 0.000 -1.503) 3.515 7.592 ( 9.392 0.000 -0.651) 9.415 7.603 ( 1.894 0.000 2.980) 3.531 7.675 ( -1.186 0.000 0.997) 1.549 7.901 ( -5.636 0.000 -1.674) 5.880 7.952 ( -2.501 0.000 3.730) 4.491 7.966 ( -1.315 0.000 4.513) 4.701 8.028 ( -4.851 0.000 -1.205) 4.999 8.165 ( -6.868 0.000 5.537) 8.822 8.238 ( -8.599 0.000 6.187) 10.594 8.485 ( -2.156 0.000 4.777) 5.241 8.616 ( -4.795 0.000 6.014) 7.692 8.631 ( 8.689 0.000 -1.487) 8.815 8.706 ( 5.758 0.000 -2.141) 6.143 8.751 ( 2.417 0.000 -0.390) 2.448 8.788 ( 1.491 0.000 -3.118) 3.456 8.794 ( 0.155 0.000 -2.364) 2.369 9.109 ( -7.002 0.000 1.421) 7.145 9.121 ( -1.849 0.000 1.083) 2.143 9.188 ( -2.431 0.000 4.726) 5.315 9.201 ( 0.510 0.000 5.783) 5.805 9.343 ( -5.147 0.000 -0.720) 5.197 9.367 ( -3.584 0.000 -3.893) 5.292 9.432 ( -3.740 0.000 0.347) 3.756 9.462 ( -2.781 0.000 2.071) 3.468 9.573 ( -1.268 0.000 2.108) 2.460 9.714 ( 1.206 0.000 1.249) 1.736 9.849 ( -10.986 0.000 -3.747) 11.607 9.934 ( -7.719 0.000 2.331) 8.063 10.059 ( -8.680 0.000 1.826) 8.870 10.221 ( -3.245 0.000 2.479) 4.083 10.274 ( 0.007 0.000 -0.618) 0.618 10.636 ( -2.947 0.000 -4.753) 5.592 10.644 ( -9.293 0.000 -6.133) 11.135 10.768 ( 0.368 0.000 -0.501) 0.622 11.253 ( -8.417 0.000 -8.637) 12.060 12.432 ( 13.754 0.000 -7.524) 15.677 12.630 ( 12.440 0.000 -4.797) 13.333 12.839 ( 5.974 0.000 -7.244) 9.390 13.022 ( 7.695 0.000 -8.560) 11.510 13.094 ( 8.921 0.000 -17.761) 19.875 13.141 ( 2.357 0.000 -5.527) 6.008 13.239 ( 4.988 0.000 -0.675) 5.033 13.253 ( -8.213 0.000 -14.394) 16.572 13.308 ( 0.082 0.000 -6.757) 6.758 13.524 ( 4.856 0.000 -7.535) 8.964 13.537 ( -9.227 0.000 -13.268) 16.161 13.746 ( -4.249 0.000 -10.870) 11.671 13.810 ( -0.524 0.000 -15.049) 15.058 13.960 ( -3.613 0.000 -6.252) 7.221 14.031 ( 0.809 0.000 -3.489) 3.582 14.254 ( -2.991 0.000 -3.441) 4.559 14.788 ( 4.903 0.000 3.676) 6.127 15.190 ( -5.753 0.000 -4.596) 7.364 15.448 ( 17.514 0.000 -1.663) 17.592 15.553 ( -2.862 0.000 -1.131) 3.078 15.627 ( -2.919 0.000 -1.886) 3.475 15.760 ( 11.967 0.000 -5.079) 13.000 16.341 ( 7.223 0.000 8.795) 11.381 16.350 ( 7.550 0.000 9.532) 12.160 16.376 ( -2.878 0.000 7.409) 7.949 16.559 ( 0.171 0.000 2.620) 2.626 16.651 ( -5.172 0.000 3.430) 6.206 16.816 ( -4.592 0.000 7.484) 8.781 16.935 ( -6.678 0.000 17.494) 18.725 17.048 ( -7.460 0.000 15.969) 17.625 17.147 ( -2.310 0.000 17.240) 17.394 17.256 ( -5.578 0.000 17.376) 18.249 23.728 ( 2.470 0.000 0.500) 2.520 23.832 ( -0.702 0.000 -0.216) 0.734 24.082 ( 0.116 0.000 -0.553) 0.565 24.117 ( -1.013 0.000 -3.070) 3.233 24.821 ( 3.412 0.000 1.033) 3.565 24.867 ( 4.092 0.000 -0.493) 4.122 25.018 ( 0.810 0.000 -2.171) 2.318 25.033 ( 2.893 0.000 -0.825) 3.009 25.149 ( 0.601 0.000 -4.437) 4.477 25.157 ( 2.255 0.000 -2.983) 3.739 25.175 ( 0.337 0.000 -1.905) 1.935 25.258 ( 3.154 0.000 -3.407) 4.643 25.279 ( -0.617 0.000 -3.268) 3.326 25.289 ( -0.461 0.000 -0.786) 0.911 25.334 ( 0.235 0.000 -3.314) 3.322 25.533 ( 0.689 0.000 -8.326) 8.355 27.028 ( 0.690 0.000 1.116) 1.312 27.115 ( -0.844 0.000 2.248) 2.401 27.244 ( 2.934 0.000 -1.399) 3.250 27.311 ( 5.973 0.000 -7.552) 9.629 27.497 ( 8.637 0.000 -7.733) 11.593 27.546 ( -0.510 0.000 -6.675) 6.695 27.688 ( -8.631 0.000 -5.402) 10.182 27.978 ( -3.341 0.000 -10.617) 11.130 28.662 ( 1.760 0.000 -2.433) 3.003 28.686 ( 2.103 0.000 -2.380) 3.176 28.880 ( -1.863 0.000 -2.874) 3.425 28.935 ( -0.818 0.000 -5.630) 5.689 29.775 ( 1.159 0.000 16.598) 16.638 30.161 ( -7.986 0.000 9.413) 12.345 30.194 ( -12.470 0.000 16.079) 20.348 30.492 ( -15.475 0.000 7.926) 17.387 ======================= Grid point 45 (20/40) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 18.812 0.000 7.564) 20.275 1.722 ( 9.488 0.000 9.440) 13.385 2.017 ( -14.383 0.000 7.596) 16.266 2.082 ( -25.263 0.000 -1.210) 25.291 2.094 ( 20.981 0.000 7.583) 22.310 2.314 ( 6.095 0.000 4.245) 7.427 2.474 ( 1.030 0.000 3.898) 4.031 2.550 ( -9.083 0.000 6.829) 11.364 2.638 ( 15.390 0.000 2.557) 15.601 2.766 ( 9.361 0.000 -5.013) 10.619 2.782 ( 10.638 0.000 3.351) 11.153 2.856 ( 9.755 0.000 3.939) 10.520 2.902 ( 9.653 0.000 11.213) 14.796 2.921 ( 1.178 0.000 -1.604) 1.990 2.962 ( -6.831 0.000 -0.548) 6.853 2.966 ( -2.947 0.000 -0.922) 3.088 3.080 ( -8.362 0.000 0.174) 8.363 3.092 ( -7.935 0.000 6.120) 10.021 3.121 ( -10.977 0.000 2.373) 11.230 3.150 ( -11.138 0.000 1.747) 11.275 3.392 ( 4.007 0.000 4.086) 5.723 3.463 ( 2.589 0.000 3.991) 4.757 3.518 ( -6.628 0.000 0.838) 6.681 3.554 ( -5.827 0.000 0.425) 5.842 3.632 ( 3.955 0.000 -0.412) 3.977 3.714 ( -2.892 0.000 0.262) 2.904 3.852 ( 2.373 0.000 3.319) 4.080 3.885 ( -0.851 0.000 4.827) 4.902 3.922 ( 13.187 0.000 8.627) 15.758 4.105 ( -2.581 0.000 7.902) 8.313 4.271 ( 0.596 0.000 1.270) 1.403 4.338 ( -3.796 0.000 6.483) 7.512 4.469 ( 5.330 0.000 13.511) 14.524 4.520 ( 0.162 0.000 13.006) 13.007 4.548 ( 5.950 0.000 6.811) 9.044 4.689 ( -2.524 0.000 9.008) 9.355 4.702 ( 4.892 0.000 9.921) 11.061 4.757 ( -0.876 0.000 16.967) 16.990 4.823 ( -5.711 0.000 10.323) 11.797 4.879 ( -6.580 0.000 6.916) 9.546 4.991 ( 7.927 0.000 1.308) 8.035 5.068 ( 0.011 0.000 6.000) 6.000 5.220 ( 4.797 0.000 -2.250) 5.299 5.289 ( 0.670 0.000 -1.152) 1.332 5.332 ( -4.568 0.000 -7.012) 8.369 5.335 ( -3.106 0.000 2.623) 4.065 5.547 ( 1.670 0.000 -2.047) 2.642 5.583 ( -2.437 0.000 -0.868) 2.587 5.784 ( 3.387 0.000 5.626) 6.567 5.845 ( -1.406 0.000 3.366) 3.648 5.982 ( 0.697 0.000 -2.150) 2.261 6.001 ( -0.618 0.000 -2.935) 3.000 6.108 ( 3.243 0.000 1.175) 3.449 6.158 ( -0.514 0.000 0.540) 0.746 6.336 ( 6.093 0.000 -1.788) 6.350 6.349 ( 4.241 0.000 6.003) 7.350 6.362 ( 3.102 0.000 -2.602) 4.049 6.441 ( -4.075 0.000 3.898) 5.639 6.478 ( 0.438 0.000 -1.537) 1.598 6.571 ( -6.465 0.000 -0.567) 6.490 6.701 ( 6.352 0.000 1.932) 6.639 6.724 ( 3.659 0.000 -1.592) 3.990 6.921 ( 1.062 0.000 1.935) 2.207 7.008 ( 0.134 0.000 7.908) 7.909 7.030 ( -1.703 0.000 7.994) 8.173 7.040 ( -7.550 0.000 -0.640) 7.578 7.404 ( 3.164 0.000 -4.188) 5.249 7.437 ( 0.023 0.000 -1.876) 1.876 7.554 ( 6.987 0.000 0.847) 7.038 7.647 ( -2.244 0.000 2.333) 3.237 7.665 ( 4.319 0.000 0.512) 4.349 7.771 ( 7.862 0.000 2.206) 8.166 7.779 ( -6.419 0.000 -3.458) 7.291 7.902 ( -4.841 0.000 5.223) 7.121 7.909 ( -0.786 0.000 5.511) 5.567 7.933 ( -3.310 0.000 4.291) 5.419 8.064 ( -2.121 0.000 4.986) 5.419 8.096 ( -4.846 0.000 6.877) 8.413 8.479 ( 1.293 0.000 4.573) 4.752 8.530 ( -3.332 0.000 7.719) 8.408 8.750 ( 1.766 0.000 -0.593) 1.863 8.756 ( 1.095 0.000 -1.615) 1.951 8.846 ( 7.551 0.000 0.143) 7.552 8.873 ( 6.684 0.000 -1.658) 6.887 8.924 ( 9.545 0.000 -0.873) 9.584 8.992 ( -3.767 0.000 -0.298) 3.779 9.018 ( -7.559 0.000 1.527) 7.711 9.096 ( -4.667 0.000 1.154) 4.808 9.138 ( -8.862 0.000 -0.520) 8.877 9.152 ( -11.223 0.000 -0.902) 11.259 9.308 ( 4.670 0.000 1.929) 5.053 9.420 ( -3.569 0.000 1.551) 3.891 9.467 ( 3.965 0.000 -2.376) 4.622 9.555 ( -3.099 0.000 -1.363) 3.386 9.682 ( -0.554 0.000 -0.016) 0.554 9.723 ( -2.587 0.000 0.817) 2.713 9.813 ( -1.586 0.000 1.607) 2.258 9.888 ( -7.350 0.000 1.463) 7.494 10.252 ( 6.179 0.000 -1.001) 6.260 10.363 ( 7.174 0.000 -1.904) 7.422 10.434 ( -10.543 0.000 -4.189) 11.345 10.521 ( -7.551 0.000 -2.287) 7.890 10.861 ( 8.072 0.000 -4.950) 9.468 11.057 ( -10.319 0.000 -7.062) 12.504 12.722 ( 13.974 0.000 -9.643) 16.978 12.920 ( 14.839 0.000 -8.286) 16.996 12.924 ( -0.834 0.000 -7.325) 7.372 13.054 ( -3.995 0.000 -10.045) 10.811 13.075 ( -4.424 0.000 -8.082) 9.213 13.165 ( -5.395 0.000 -9.066) 10.550 13.285 ( 0.145 0.000 -6.684) 6.686 13.305 ( 10.918 0.000 -11.374) 15.766 13.324 ( -4.438 0.000 -9.031) 10.062 13.446 ( 9.469 0.000 -13.498) 16.489 13.508 ( -7.544 0.000 -16.015) 17.703 13.672 ( -10.447 0.000 -17.471) 20.356 13.750 ( 5.229 0.000 -2.611) 5.844 13.868 ( -5.391 0.000 -4.849) 7.251 14.105 ( 4.403 0.000 -0.888) 4.492 14.187 ( -3.610 0.000 -2.465) 4.371 14.912 ( 7.010 0.000 1.711) 7.216 15.059 ( -7.043 0.000 -1.311) 7.164 15.522 ( 0.079 0.000 -0.384) 0.392 15.558 ( -3.137 0.000 -0.487) 3.174 15.796 ( 15.592 0.000 -0.162) 15.593 15.970 ( 3.757 0.000 -2.516) 4.522 16.277 ( -2.278 0.000 3.165) 3.900 16.411 ( -10.568 0.000 -0.505) 10.580 16.476 ( 5.023 0.000 9.018) 10.323 16.488 ( 4.459 0.000 9.437) 10.438 16.682 ( 4.308 0.000 8.906) 9.893 16.754 ( -2.517 0.000 8.788) 9.141 16.834 ( -2.048 0.000 16.393) 16.521 16.892 ( -6.807 0.000 15.620) 17.039 17.117 ( -0.143 0.000 16.917) 16.917 17.156 ( -3.791 0.000 16.652) 17.078 23.776 ( 2.120 0.000 0.249) 2.135 23.811 ( -1.375 0.000 0.051) 1.375 24.087 ( 0.413 0.000 -1.044) 1.123 24.099 ( -0.740 0.000 -1.830) 1.974 24.890 ( 3.152 0.000 -0.201) 3.158 24.928 ( 0.519 0.000 -0.778) 0.935 25.038 ( 2.359 0.000 -3.085) 3.883 25.093 ( 2.831 0.000 -1.478) 3.194 25.111 ( -3.581 0.000 -3.262) 4.844 25.142 ( -1.881 0.000 -1.561) 2.444 25.221 ( 2.332 0.000 -4.021) 4.648 25.259 ( -1.397 0.000 -3.808) 4.056 25.279 ( 0.202 0.000 -1.049) 1.068 25.285 ( -0.258 0.000 -2.679) 2.691 25.405 ( 5.270 0.000 -6.193) 8.132 25.502 ( -3.567 0.000 -8.076) 8.828 27.053 ( 1.618 0.000 1.747) 2.381 27.088 ( -1.666 0.000 2.202) 2.761 27.336 ( 6.196 0.000 -0.912) 6.263 27.429 ( 5.187 0.000 -8.703) 10.132 27.491 ( -8.457 0.000 -1.755) 8.637 27.512 ( -2.884 0.000 -8.279) 8.767 27.701 ( 8.979 0.000 -11.491) 14.583 27.870 ( -7.111 0.000 -12.077) 14.015 28.722 ( 4.012 0.000 0.750) 4.081 28.763 ( 5.134 0.000 1.364) 5.312 28.812 ( -4.374 0.000 1.715) 4.698 28.873 ( -4.920 0.000 0.968) 5.014 29.844 ( 5.556 0.000 9.814) 11.278 29.990 ( -8.270 0.000 8.170) 11.625 30.075 ( 0.971 0.000 11.393) 11.434 30.209 ( -11.216 0.000 8.721) 14.207 ======================= Grid point 49 (21/40) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 5.476 26.945) 27.496 1.380 ( 0.000 24.091 19.415) 30.941 1.462 ( 0.000 -3.148 21.977) 22.202 1.822 ( 0.000 -13.918 13.314) 19.260 1.865 ( 0.000 2.838 5.518) 6.205 1.963 ( 0.000 -8.850 1.883) 9.048 2.122 ( 0.000 5.237 11.355) 12.505 2.203 ( 0.000 -2.617 9.838) 10.180 2.482 ( 0.000 11.992 27.196) 29.723 2.595 ( 0.000 10.051 17.562) 20.235 2.714 ( 0.000 -1.926 6.914) 7.177 2.785 ( 0.000 -8.570 9.476) 12.776 2.904 ( 0.000 -12.204 15.838) 19.995 2.922 ( 0.000 -4.809 11.838) 12.778 2.990 ( 0.000 5.614 3.312) 6.518 3.081 ( 0.000 -1.681 -1.557) 2.291 3.139 ( 0.000 -3.980 -4.327) 5.879 3.154 ( 0.000 -4.037 -4.142) 5.784 3.268 ( 0.000 2.359 6.292) 6.719 3.311 ( 0.000 -2.184 5.760) 6.160 3.440 ( 0.000 -1.099 -6.408) 6.501 3.453 ( 0.000 -2.448 -4.597) 5.208 3.632 ( 0.000 3.950 -0.404) 3.970 3.638 ( 0.000 0.535 5.007) 5.036 3.796 ( 0.000 2.601 2.097) 3.341 3.816 ( 0.000 4.474 -0.711) 4.530 3.994 ( 0.000 -1.977 0.809) 2.136 4.002 ( 0.000 -3.025 0.220) 3.033 4.157 ( 0.000 2.270 -5.531) 5.979 4.179 ( 0.000 -0.515 -0.072) 0.521 4.192 ( 0.000 1.495 3.997) 4.267 4.219 ( 0.000 -1.483 1.389) 2.032 4.330 ( 0.000 -0.282 5.439) 5.446 4.331 ( 0.000 3.029 8.358) 8.890 4.384 ( 0.000 5.038 4.169) 6.539 4.412 ( 0.000 8.609 7.350) 11.320 4.517 ( 0.000 -8.093 6.284) 10.246 4.625 ( 0.000 -11.347 7.107) 13.389 4.894 ( 0.000 7.568 14.887) 16.700 4.959 ( 0.000 8.782 11.646) 14.586 5.043 ( 0.000 -4.901 12.405) 13.338 5.135 ( 0.000 -4.457 8.711) 9.785 5.163 ( 0.000 3.396 -6.078) 6.962 5.260 ( 0.000 -5.882 -7.394) 9.448 5.347 ( 0.000 -2.757 -1.244) 3.024 5.378 ( 0.000 -2.715 -0.990) 2.890 5.674 ( 0.000 4.031 -0.060) 4.031 5.731 ( 0.000 5.819 -1.429) 5.992 5.737 ( 0.000 -1.600 1.763) 2.380 5.764 ( 0.000 1.370 -0.995) 1.694 5.922 ( 0.000 0.810 -5.826) 5.882 5.953 ( 0.000 -2.162 -3.076) 3.760 6.059 ( 0.000 2.009 -6.824) 7.113 6.094 ( 0.000 -1.306 -5.899) 6.042 6.114 ( 0.000 -0.229 -0.264) 0.350 6.130 ( 0.000 -1.861 0.206) 1.872 6.267 ( 0.000 4.707 3.233) 5.710 6.301 ( 0.000 4.127 4.505) 6.110 6.384 ( 0.000 -0.226 -2.427) 2.438 6.462 ( 0.000 -5.272 -2.192) 5.710 6.624 ( 0.000 1.263 5.674) 5.812 6.660 ( 0.000 -2.039 4.392) 4.842 7.045 ( 0.000 -1.278 5.025) 5.185 7.050 ( 0.000 -1.891 4.947) 5.297 7.165 ( 0.000 0.741 -1.788) 1.935 7.170 ( 0.000 1.031 -0.321) 1.080 7.207 ( 0.000 1.252 -2.767) 3.037 7.215 ( 0.000 0.573 -1.825) 1.913 7.306 ( 0.000 2.052 -4.056) 4.546 7.327 ( 0.000 1.924 -4.240) 4.656 7.555 ( 0.000 -1.873 2.695) 3.282 7.602 ( 0.000 -7.929 -1.300) 8.035 7.983 ( 0.000 4.167 1.264) 4.354 7.986 ( 0.000 5.423 0.849) 5.489 8.126 ( 0.000 0.873 -4.321) 4.408 8.192 ( 0.000 -4.676 -5.269) 7.045 8.342 ( 0.000 0.973 1.286) 1.613 8.376 ( 0.000 -1.881 1.382) 2.334 8.480 ( 0.000 3.252 3.012) 4.433 8.505 ( 0.000 0.152 2.624) 2.628 8.607 ( 0.000 -1.071 6.149) 6.242 8.613 ( 0.000 -1.896 1.424) 2.371 8.771 ( 0.000 3.573 -1.087) 3.735 8.838 ( 0.000 -3.141 -2.438) 3.977 9.038 ( 0.000 5.422 1.903) 5.746 9.119 ( 0.000 -2.122 3.513) 4.104 9.169 ( 0.000 0.107 1.608) 1.612 9.179 ( 0.000 -0.788 0.201) 0.813 9.259 ( 0.000 3.192 3.840) 4.994 9.359 ( 0.000 -7.055 4.575) 8.408 9.438 ( 0.000 1.662 3.024) 3.450 9.470 ( 0.000 -1.486 3.064) 3.405 9.623 ( 0.000 1.275 0.309) 1.312 9.665 ( 0.000 -2.465 -0.397) 2.497 9.748 ( 0.000 9.362 -0.155) 9.363 9.960 ( 0.000 -12.862 -5.989) 14.188 10.184 ( 0.000 10.268 0.630) 10.287 10.340 ( 0.000 2.434 3.549) 4.303 10.409 ( 0.000 -2.588 3.912) 4.691 10.450 ( 0.000 -15.741 -1.001) 15.773 10.548 ( 0.000 8.105 0.272) 8.110 10.669 ( 0.000 -4.561 0.177) 4.564 11.099 ( 0.000 14.962 -8.632) 17.273 11.330 ( 0.000 -9.174 -10.970) 14.300 12.189 ( 0.000 8.954 -2.796) 9.381 12.405 ( 0.000 -13.023 1.194) 13.077 12.720 ( 0.000 4.400 -10.279) 11.181 12.813 ( 0.000 -4.954 -11.581) 12.596 12.905 ( 0.000 4.247 -5.364) 6.841 12.970 ( 0.000 -2.780 -3.850) 4.749 13.088 ( 0.000 4.186 -2.923) 5.106 13.159 ( 0.000 -3.084 -3.870) 4.949 13.443 ( 0.000 2.629 -0.319) 2.648 13.475 ( 0.000 1.869 -12.565) 12.704 13.528 ( 0.000 1.370 -3.659) 3.907 13.643 ( 0.000 -8.254 -14.924) 17.054 13.962 ( 0.000 6.410 -16.095) 17.324 14.056 ( 0.000 -2.848 -13.368) 13.668 14.153 ( 0.000 6.830 -9.149) 11.417 14.276 ( 0.000 -4.988 -5.073) 7.114 14.771 ( 0.000 7.363 2.317) 7.719 14.911 ( 0.000 -6.367 -0.306) 6.374 15.385 ( 0.000 3.780 -7.970) 8.821 15.458 ( 0.000 -3.348 -7.218) 7.956 15.653 ( 0.000 0.494 -3.645) 3.679 15.657 ( 0.000 0.124 -3.706) 3.708 16.146 ( 0.000 -0.297 8.618) 8.624 16.152 ( 0.000 -1.046 10.290) 10.343 16.411 ( 0.000 4.080 7.014) 8.115 16.488 ( 0.000 -3.556 3.735) 5.157 16.818 ( 0.000 1.767 1.108) 2.085 16.882 ( 0.000 -5.073 1.603) 5.320 17.159 ( 0.000 1.591 17.780) 17.851 17.194 ( 0.000 -1.937 18.127) 18.230 17.318 ( 0.000 3.726 17.209) 17.607 17.380 ( 0.000 -2.517 18.234) 18.407 23.802 ( 0.000 12.188 -3.752) 12.752 23.889 ( 0.000 4.014 -1.230) 4.198 24.021 ( 0.000 -5.306 -0.073) 5.306 24.055 ( 0.000 -9.150 -5.641) 10.749 24.735 ( 0.000 0.055 3.892) 3.893 24.735 ( 0.000 0.029 3.472) 3.472 24.942 ( 0.000 0.502 1.505) 1.587 24.966 ( 0.000 -1.915 0.739) 2.052 25.007 ( 0.000 3.378 0.718) 3.453 25.056 ( 0.000 -1.391 -0.798) 1.604 25.188 ( 0.000 0.837 -0.241) 0.871 25.199 ( 0.000 -0.076 -1.068) 1.071 25.307 ( 0.000 1.107 -1.241) 1.663 25.335 ( 0.000 -1.666 -4.637) 4.928 25.347 ( 0.000 3.598 -1.288) 3.821 25.424 ( 0.000 -3.795 -2.408) 4.494 27.067 ( 0.000 0.768 -0.032) 0.768 27.074 ( 0.000 -0.037 -3.649) 3.649 27.192 ( 0.000 0.459 -2.955) 2.990 27.192 ( 0.000 0.143 -3.049) 3.053 27.349 ( 0.000 5.884 -4.104) 7.174 27.474 ( 0.000 -6.059 -4.579) 7.594 27.954 ( 0.000 1.202 -8.571) 8.655 27.975 ( 0.000 -0.915 -5.932) 6.002 28.660 ( 0.000 0.673 -4.668) 4.716 28.676 ( 0.000 -0.881 -5.107) 5.183 28.880 ( 0.000 0.590 -15.526) 15.537 28.890 ( 0.000 -0.404 -16.525) 16.530 29.902 ( 0.000 10.475 27.592) 29.514 30.159 ( 0.000 -15.362 20.290) 25.449 30.820 ( 0.000 4.590 5.221) 6.952 30.886 ( 0.000 -2.422 5.510) 6.018 ======================= Grid point 50 (22/40) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.798 14.296 24.441) 28.327 1.505 ( 11.383 16.103 20.743) 28.621 1.541 ( 5.002 -9.232 21.753) 24.155 1.892 ( 5.908 -16.284 11.816) 20.969 1.978 ( 9.150 2.070 4.578) 10.438 2.021 ( 7.141 0.177 3.761) 8.072 2.120 ( 4.364 4.300 6.602) 9.007 2.254 ( 5.268 -6.169 6.604) 10.460 2.569 ( 0.313 8.499 13.054) 15.580 2.632 ( 8.097 11.294 17.771) 22.560 2.695 ( -0.772 3.420 10.218) 10.803 2.768 ( -3.208 -4.904 3.199) 6.676 2.914 ( 2.919 -10.419 8.636) 13.844 2.923 ( 1.875 -9.433 11.055) 14.653 3.027 ( -0.611 6.717 7.386) 10.002 3.134 ( 2.654 4.830 -3.357) 6.453 3.171 ( -0.304 -3.015 2.646) 4.023 3.203 ( -1.614 1.392 5.203) 5.623 3.228 ( -0.731 -6.646 2.214) 7.043 3.269 ( 4.750 -6.272 4.755) 9.193 3.406 ( -2.712 0.328 -5.524) 6.162 3.440 ( -2.195 -2.958 -4.004) 5.441 3.615 ( -2.867 -0.001 4.047) 4.960 3.629 ( -2.055 0.008 1.374) 2.472 3.764 ( -4.209 4.085 1.538) 6.064 3.805 ( -0.919 5.066 0.320) 5.159 3.859 ( -7.084 -0.723 -0.740) 7.159 3.889 ( -9.195 -5.476 -0.410) 10.710 4.059 ( -3.670 4.947 2.896) 6.806 4.103 ( -5.307 2.849 1.334) 6.169 4.208 ( -0.320 -2.763 8.799) 9.228 4.224 ( -0.176 -3.947 4.384) 5.901 4.323 ( 1.558 1.094 8.812) 9.016 4.395 ( 5.250 -3.653 3.896) 7.489 4.449 ( 5.182 6.040 0.319) 7.964 4.538 ( 6.176 2.092 -0.626) 6.551 4.575 ( 6.428 0.696 9.946) 11.863 4.708 ( 3.548 -3.378 6.621) 8.236 4.867 ( -0.251 2.051 12.468) 12.638 4.951 ( -3.130 -1.240 11.080) 11.580 5.031 ( 2.252 5.162 9.306) 10.877 5.146 ( -0.008 0.713 6.755) 6.792 5.179 ( -2.226 -1.130 4.409) 5.067 5.260 ( 0.897 -1.576 -4.717) 5.054 5.330 ( -0.092 -2.006 -6.800) 7.090 5.361 ( -0.394 -7.711 -0.604) 7.745 5.611 ( -5.662 4.968 -0.622) 7.558 5.701 ( -3.647 -3.583 1.133) 5.236 5.758 ( 2.883 5.199 -1.784) 6.207 5.806 ( 2.712 0.397 -1.172) 2.981 5.932 ( -0.621 1.930 -3.444) 3.997 5.970 ( 2.138 0.282 -2.266) 3.128 6.072 ( 1.912 -0.098 -5.281) 5.618 6.099 ( 1.902 -0.034 -5.366) 5.693 6.127 ( 0.836 -0.030 -0.761) 1.131 6.170 ( 3.008 -2.620 -0.123) 3.991 6.243 ( 0.246 4.893 2.659) 5.575 6.353 ( 1.018 -5.306 4.811) 7.234 6.404 ( 4.370 6.745 -1.299) 8.142 6.514 ( 4.244 -4.112 -0.810) 5.965 6.650 ( 1.587 1.797 4.586) 5.175 6.684 ( 1.309 -1.167 2.407) 2.978 6.980 ( -4.060 -0.305 3.526) 5.386 7.014 ( -2.816 -3.788 4.836) 6.757 7.152 ( -1.554 3.659 2.818) 4.873 7.190 ( 2.006 0.891 0.794) 2.334 7.236 ( 2.497 0.398 -1.916) 3.172 7.266 ( 4.665 -1.621 -2.907) 5.730 7.357 ( 4.034 3.974 -4.112) 6.998 7.419 ( 7.284 0.324 -4.369) 8.500 7.571 ( 1.462 -1.225 2.452) 3.107 7.609 ( 0.265 -6.889 -0.815) 6.942 7.935 ( -2.400 3.518 0.890) 4.351 7.999 ( -3.289 -1.578 4.904) 6.112 8.063 ( -2.683 3.335 -4.390) 6.132 8.110 ( -5.720 -2.266 -2.423) 6.612 8.374 ( -4.367 4.628 3.124) 7.088 8.426 ( -0.030 1.068 3.133) 3.310 8.444 ( 0.077 -0.722 2.306) 2.418 8.481 ( 3.260 -3.942 0.713) 5.165 8.595 ( 0.482 1.918 3.972) 4.438 8.638 ( 1.266 -2.424 2.352) 3.607 8.764 ( -0.765 2.594 -1.232) 2.972 8.804 ( -2.544 -1.584 -2.405) 3.843 8.976 ( -5.895 7.506 -1.892) 9.730 9.102 ( -1.873 -4.241 0.565) 4.671 9.176 ( 1.230 0.849 4.550) 4.789 9.194 ( 0.988 -0.443 4.840) 4.960 9.228 ( -1.973 2.413 2.719) 4.136 9.321 ( -1.828 -6.992 3.049) 7.844 9.460 ( -3.748 0.254 3.216) 4.945 9.475 ( -2.831 -2.243 3.554) 5.067 9.530 ( -3.042 2.393 -0.404) 3.891 9.592 ( -0.131 -3.394 -1.618) 3.762 9.750 ( -1.357 8.550 0.253) 8.661 9.927 ( -4.369 -10.139 -4.379) 11.877 10.146 ( -5.007 8.591 1.953) 10.133 10.261 ( -7.592 0.657 2.442) 8.002 10.302 ( -7.232 0.168 3.154) 7.892 10.455 ( -3.208 -7.068 1.646) 7.935 10.517 ( -2.421 1.558 -2.999) 4.157 10.639 ( -1.739 -5.527 -1.093) 5.896 11.072 ( -3.259 14.400 -7.681) 16.643 11.295 ( -3.785 -8.957 -9.838) 13.833 12.260 ( 7.306 6.519 -4.129) 10.626 12.401 ( 3.193 -7.482 -0.755) 8.170 12.775 ( 4.916 4.976 -9.831) 12.066 12.878 ( 5.135 -4.972 -13.154) 14.971 12.929 ( 4.612 4.040 -6.528) 8.956 13.016 ( 5.238 -4.853 -3.094) 7.782 13.163 ( 3.801 3.472 -4.488) 6.830 13.236 ( 3.436 -4.026 -5.458) 7.603 13.440 ( -4.109 5.117 -15.695) 17.012 13.486 ( 3.316 3.404 -4.490) 6.538 13.581 ( 1.197 -3.732 -7.257) 8.248 13.627 ( 3.324 -6.688 -6.747) 10.064 13.926 ( -3.524 6.152 -15.094) 16.676 14.019 ( -3.511 -3.313 -12.564) 13.459 14.126 ( -2.557 6.812 -8.041) 10.844 14.252 ( -2.285 -5.425 -4.868) 7.639 14.813 ( 3.930 9.293 2.253) 10.338 15.003 ( 7.730 -9.809 -0.960) 12.526 15.382 ( -0.078 6.737 -6.748) 9.536 15.502 ( 3.254 -5.499 -6.579) 9.171 15.637 ( -0.771 1.521 -2.651) 3.152 15.657 ( 1.010 -0.392 -3.168) 3.348 16.206 ( 5.398 -0.332 8.734) 10.273 16.207 ( 5.095 -0.515 10.049) 11.278 16.428 ( 1.374 4.245 7.080) 8.368 16.503 ( 1.346 -3.021 4.123) 5.286 16.778 ( -3.877 2.033 1.623) 4.669 16.849 ( -3.628 -5.297 3.023) 7.097 17.097 ( -5.241 2.345 18.093) 18.982 17.149 ( -3.759 -2.697 18.185) 18.765 17.257 ( -5.231 4.262 17.621) 18.868 17.331 ( -4.529 -3.097 17.971) 18.790 23.802 ( 0.313 10.959 -2.108) 11.165 23.888 ( -0.074 4.207 -0.997) 4.325 24.018 ( -0.224 -5.625 -0.044) 5.629 24.038 ( -1.218 -9.369 -3.860) 10.206 24.773 ( 3.286 1.356 1.931) 4.046 24.792 ( 3.982 -0.320 0.243) 4.002 24.964 ( 1.726 0.246 0.817) 1.926 24.986 ( 1.902 -1.387 0.566) 2.421 25.076 ( 5.562 1.464 -2.882) 6.433 25.098 ( 3.667 -0.400 -2.364) 4.381 25.191 ( 0.390 1.171 -0.632) 1.386 25.206 ( 0.748 -0.183 -1.289) 1.501 25.301 ( -0.899 0.580 -0.615) 1.234 25.326 ( -1.037 -1.246 -4.567) 4.846 25.349 ( 0.365 4.127 -2.072) 4.633 25.442 ( 1.720 -4.616 -3.788) 6.214 27.050 ( -0.357 1.962 -0.626) 2.090 27.091 ( 0.941 -2.176 -1.042) 2.590 27.234 ( 3.161 2.410 -3.879) 5.554 27.245 ( 4.135 1.933 -4.256) 6.241 27.359 ( 2.070 2.753 -4.639) 5.778 27.466 ( -0.798 -6.771 -4.608) 8.229 27.902 ( -4.043 4.264 -7.215) 9.305 27.976 ( -0.892 -3.173 -7.749) 8.421 28.654 ( -0.245 0.574 -4.601) 4.643 28.667 ( -0.425 -0.720 -5.018) 5.087 28.896 ( 0.965 0.822 -11.560) 11.629 28.911 ( 1.465 -0.703 -12.737) 12.840 29.874 ( -2.246 9.399 24.377) 26.223 30.105 ( -4.808 -14.152 19.249) 24.370 30.645 ( -14.573 7.227 8.613) 18.406 30.749 ( -12.419 -3.814 6.770) 14.649 ======================= Grid point 51 (23/40) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 7.148 9.391 19.118) 22.467 1.563 ( 0.614 -8.453 16.929) 18.932 1.811 ( 17.182 13.337 13.983) 25.858 2.115 ( 10.981 -16.095 7.291) 20.804 2.175 ( 13.507 8.012 7.736) 17.506 2.259 ( 7.676 -1.981 3.554) 8.688 2.307 ( 12.607 3.977 0.187) 13.220 2.410 ( 8.760 -0.955 1.340) 8.914 2.517 ( 1.478 -1.124 5.885) 6.171 2.581 ( -14.916 -3.451 2.408) 15.498 2.757 ( 4.632 4.943 7.172) 9.865 2.812 ( 4.314 3.996 6.604) 8.843 2.861 ( -4.054 4.138 -0.166) 5.795 2.913 ( -6.540 -2.247 0.474) 6.931 3.033 ( 0.900 -1.197 11.143) 11.243 3.097 ( -4.204 4.778 2.647) 6.893 3.113 ( 2.450 -5.676 4.538) 7.669 3.183 ( -0.789 -3.509 5.588) 6.645 3.291 ( -2.775 1.413 -0.753) 3.204 3.319 ( -3.029 1.390 3.148) 4.584 3.362 ( -2.623 -0.987 1.836) 3.351 3.469 ( 5.276 -9.271 0.628) 10.685 3.518 ( -5.125 0.076 1.021) 5.227 3.528 ( -4.574 -2.154 2.584) 5.678 3.673 ( -2.280 2.429 3.074) 4.533 3.736 ( -0.736 2.277 -0.789) 2.520 3.801 ( -0.856 -4.308 1.974) 4.815 3.807 ( -0.511 -0.492 3.411) 3.484 4.000 ( -1.785 9.026 5.841) 10.898 4.059 ( 1.126 1.644 6.961) 7.241 4.186 ( -1.345 -4.620 6.615) 8.179 4.244 ( 1.831 -8.048 6.221) 10.335 4.364 ( 1.470 1.514 10.959) 11.160 4.461 ( 0.937 -7.321 8.525) 11.277 4.551 ( 3.201 6.189 4.427) 8.255 4.656 ( 1.234 -3.537 5.382) 6.557 4.680 ( 5.338 11.019 4.174) 12.936 4.786 ( 8.176 0.836 2.565) 8.610 4.886 ( 0.951 -1.915 8.705) 8.964 4.913 ( 0.264 -2.390 9.805) 10.095 5.033 ( -4.447 3.841 9.812) 11.437 5.061 ( -4.715 1.536 7.942) 9.363 5.189 ( 3.898 4.016 5.225) 7.656 5.292 ( 0.436 -3.769 0.014) 3.794 5.315 ( -1.026 0.628 -5.379) 5.512 5.401 ( 3.037 -8.557 -4.008) 9.925 5.491 ( -4.688 5.748 -0.925) 7.475 5.605 ( -4.968 -5.954 -1.562) 7.910 5.820 ( 0.868 5.541 0.853) 5.673 5.844 ( 3.027 3.141 -1.472) 4.604 5.938 ( 1.262 -1.745 -0.771) 2.288 5.980 ( -1.435 -4.008 0.483) 4.284 6.114 ( 0.622 4.901 -0.252) 4.946 6.137 ( 2.973 1.720 -2.939) 4.520 6.208 ( 4.376 -1.849 -2.778) 5.503 6.236 ( 5.584 -1.252 -2.231) 6.142 6.292 ( 3.586 1.479 2.879) 4.831 6.386 ( 2.328 -5.935 4.081) 7.570 6.516 ( 5.923 5.622 -0.692) 8.196 6.605 ( 4.400 -2.340 0.364) 4.997 6.652 ( -1.611 2.506 3.497) 4.594 6.681 ( -1.649 0.358 0.728) 1.837 6.909 ( -3.145 -1.195 3.185) 4.633 6.956 ( -2.876 -5.762 4.744) 7.998 7.130 ( -0.111 7.554 4.310) 8.698 7.241 ( 2.595 0.920 1.150) 2.984 7.293 ( 2.057 1.075 -1.501) 2.764 7.373 ( 4.484 -3.045 -1.461) 5.613 7.441 ( 4.563 4.356 -2.531) 6.797 7.560 ( 5.210 -5.716 -2.740) 8.205 7.607 ( 1.982 -0.198 2.343) 3.075 7.624 ( 2.295 -1.713 -0.034) 2.864 7.873 ( -4.147 -0.770 -0.380) 4.235 7.902 ( -4.348 -2.004 4.340) 6.462 7.973 ( -5.742 0.300 3.489) 6.726 8.000 ( -5.229 -1.727 3.280) 6.409 8.287 ( -4.561 7.669 2.053) 9.156 8.342 ( -4.216 9.498 6.835) 12.438 8.418 ( -2.640 -5.769 4.093) 7.550 8.518 ( -2.562 -8.102 5.860) 10.322 8.676 ( 6.580 2.881 -1.153) 7.275 8.716 ( 5.378 -1.289 -1.779) 5.809 8.742 ( 0.621 1.444 -0.865) 1.794 8.769 ( 0.099 -0.930 -1.306) 1.607 8.910 ( 1.181 8.462 -2.981) 9.049 9.052 ( -2.347 -5.637 -1.113) 6.206 9.129 ( -4.771 1.536 3.538) 6.135 9.183 ( -1.618 -2.719 3.981) 5.085 9.235 ( -2.420 2.849 4.978) 6.225 9.302 ( -3.980 -4.223 2.011) 6.141 9.329 ( -3.507 1.089 -1.705) 4.049 9.389 ( -2.930 -2.853 -1.429) 4.332 9.527 ( -0.261 3.968 1.136) 4.136 9.600 ( -1.330 -0.950 -0.550) 1.724 9.699 ( -2.521 2.028 1.375) 3.516 9.790 ( -7.776 -5.318 -1.807) 9.592 9.990 ( -8.353 4.656 1.941) 9.758 10.084 ( -6.515 -4.634 2.502) 8.377 10.146 ( -8.351 6.754 1.130) 10.800 10.352 ( -6.797 -12.079 -0.742) 13.880 10.475 ( 0.840 9.247 -2.478) 9.610 10.649 ( 3.066 -7.160 -3.278) 8.451 10.955 ( -7.953 13.584 -5.649) 16.723 11.169 ( -8.326 -8.657 -7.860) 14.354 12.478 ( 13.293 4.543 -7.034) 15.710 12.575 ( 12.567 -5.022 -5.840) 14.740 12.896 ( 6.202 5.569 -7.918) 11.497 13.016 ( 7.264 -6.142 -10.938) 14.496 13.069 ( 6.950 3.970 -8.969) 12.021 13.153 ( 7.169 -3.306 -6.882) 10.473 13.206 ( 1.763 1.298 -5.307) 5.741 13.262 ( -0.019 -2.909 -8.544) 9.026 13.314 ( -7.141 4.845 -12.631) 15.297 13.434 ( -7.871 -6.855 -14.091) 17.536 13.628 ( 4.181 7.013 -7.209) 10.892 13.743 ( 1.797 -3.988 -11.585) 12.384 13.833 ( -4.601 4.775 -10.369) 12.308 13.941 ( -1.866 -5.541 -5.197) 7.823 14.056 ( -4.080 6.471 -5.785) 9.591 14.189 ( -3.683 -6.345 -4.232) 8.470 14.917 ( 5.902 11.948 1.758) 13.442 15.144 ( 4.518 -9.219 -1.940) 10.449 15.372 ( -1.801 2.261 -2.581) 3.875 15.499 ( -3.460 -8.342 -3.042) 9.530 15.701 ( 7.991 6.715 -1.868) 10.604 15.775 ( 10.887 -0.863 -3.215) 11.384 16.335 ( 5.815 -0.284 9.011) 10.728 16.338 ( 6.430 -0.495 9.738) 11.679 16.436 ( -0.926 5.028 5.558) 7.552 16.525 ( -0.553 -3.651 3.122) 4.836 16.676 ( -4.588 2.713 4.719) 7.119 16.751 ( -4.513 -4.970 7.073) 9.752 16.984 ( -5.041 4.531 17.335) 18.613 17.071 ( -3.834 -2.600 16.773) 17.401 17.134 ( -6.142 2.882 17.089) 18.387 17.216 ( -6.132 -3.978 17.232) 18.718 23.820 ( 1.344 8.905 -0.711) 9.034 23.884 ( -0.317 5.013 -0.502) 5.048 24.013 ( -0.243 -6.372 -0.307) 6.384 24.018 ( -0.648 -9.006 -1.948) 9.237 24.846 ( 3.728 2.108 -0.136) 4.285 24.875 ( 4.203 -0.316 -1.284) 4.406 24.998 ( 1.235 0.510 -0.169) 1.346 25.031 ( 2.079 -1.744 -0.369) 2.739 25.154 ( 1.131 0.775 -4.512) 4.715 25.162 ( 1.488 0.119 -3.429) 3.740 25.213 ( 1.878 3.444 -3.320) 5.139 25.251 ( 3.627 -0.484 -2.851) 4.639 25.277 ( -0.787 -0.811 -0.448) 1.216 25.292 ( -1.584 -1.962 -3.925) 4.665 25.359 ( 0.200 5.268 -3.332) 6.237 25.473 ( 0.532 -5.701 -6.286) 8.503 27.060 ( 1.342 3.103 0.329) 3.397 27.123 ( 2.196 -2.257 0.269) 3.161 27.239 ( -1.612 4.488 -1.472) 4.991 27.351 ( 3.586 -1.922 -5.892) 7.161 27.436 ( 1.610 -2.066 -4.899) 5.555 27.482 ( 6.905 -3.309 -8.154) 11.185 27.802 ( -5.512 7.863 -7.585) 12.237 27.928 ( -3.892 -5.135 -9.710) 11.653 28.667 ( 1.838 0.552 -2.451) 3.113 28.679 ( 2.009 -0.653 -2.425) 3.216 28.893 ( -1.686 1.315 -3.620) 4.205 28.921 ( -1.169 -1.369 -4.979) 5.295 29.842 ( -0.002 6.780 16.620) 17.950 30.002 ( -3.973 -9.548 15.475) 18.613 30.332 ( -14.621 7.442 9.918) 19.171 30.447 ( -15.541 -4.650 8.285) 18.215 ======================= Grid point 52 (24/40) ======================= q-point: ( 0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 17.059 3.923 8.011) 19.250 1.705 ( 13.543 -2.093 9.297) 16.560 2.019 ( -11.022 1.780 4.759) 12.137 2.058 ( -18.127 -1.272 0.997) 18.198 2.231 ( 9.029 9.805 7.363) 15.227 2.362 ( 3.231 1.189 3.733) 5.079 2.479 ( -0.083 -0.525 3.259) 3.302 2.481 ( -0.238 -3.981 3.761) 5.482 2.599 ( 11.204 0.098 6.144) 12.778 2.686 ( 10.167 -7.660 2.789) 13.032 2.792 ( 3.866 0.484 -1.890) 4.330 2.837 ( 4.975 -3.074 -0.349) 5.859 2.894 ( 1.771 1.196 4.806) 5.260 2.929 ( 0.878 -0.309 1.671) 1.913 2.954 ( -1.344 4.602 4.195) 6.370 3.033 ( -1.626 -0.872 2.967) 3.494 3.100 ( -4.459 3.101 2.453) 5.960 3.147 ( -5.244 0.906 0.833) 5.387 3.149 ( -8.836 1.902 3.214) 9.593 3.167 ( -8.728 1.630 3.140) 9.418 3.346 ( 3.670 0.611 3.955) 5.430 3.439 ( -2.926 1.253 -0.517) 3.224 3.462 ( -0.138 -6.905 0.474) 6.923 3.522 ( -2.261 -4.403 -3.060) 5.819 3.692 ( 3.850 5.498 4.948) 8.339 3.771 ( -1.833 2.546 3.965) 5.056 3.807 ( 2.165 -1.739 5.573) 6.226 3.815 ( 0.673 -4.321 3.271) 5.461 4.038 ( 5.380 5.994 5.508) 9.757 4.105 ( 1.931 0.674 7.126) 7.414 4.160 ( -0.842 -5.266 3.245) 6.242 4.227 ( -4.257 -7.716 3.060) 9.328 4.418 ( 5.415 -0.105 15.451) 16.373 4.499 ( 3.149 -5.854 14.181) 15.662 4.553 ( -3.155 -0.714 11.611) 12.053 4.598 ( -4.899 -4.237 12.329) 13.927 4.783 ( 4.928 10.492 7.991) 14.079 4.881 ( -3.245 3.498 8.736) 9.954 4.905 ( -0.418 1.447 10.701) 10.807 4.929 ( -1.863 1.805 11.036) 11.337 5.006 ( 7.932 4.379 -0.307) 9.066 5.051 ( 3.448 0.129 3.324) 4.791 5.207 ( -2.981 -1.933 -0.835) 3.650 5.232 ( -4.941 -4.801 -0.564) 6.912 5.345 ( 4.154 5.274 -1.956) 6.993 5.423 ( -2.842 4.938 -1.486) 5.888 5.470 ( 3.180 -6.441 -2.242) 7.525 5.528 ( -2.623 -5.107 -1.443) 5.920 5.841 ( 1.827 5.117 3.026) 6.219 5.879 ( -0.823 3.293 1.681) 3.788 5.941 ( 0.298 -4.137 0.067) 4.148 5.960 ( -0.799 -4.053 -0.730) 4.194 6.146 ( 2.992 3.608 0.120) 4.688 6.192 ( 0.774 3.111 0.421) 3.233 6.244 ( 1.518 -4.310 0.652) 4.616 6.306 ( -2.241 -5.884 1.578) 6.491 6.408 ( 8.213 4.255 -1.032) 9.308 6.454 ( 4.803 1.636 1.611) 5.323 6.560 ( -3.639 2.279 -0.566) 4.331 6.587 ( -5.200 0.851 1.433) 5.460 6.700 ( 4.791 0.258 1.327) 4.978 6.705 ( 5.918 0.615 -0.027) 5.950 6.840 ( -3.280 -3.604 3.003) 5.724 6.879 ( -4.936 -6.798 3.412) 9.067 7.158 ( 2.888 10.934 3.850) 11.946 7.233 ( -3.499 10.926 1.426) 11.561 7.345 ( 3.501 -7.032 -1.445) 7.987 7.402 ( -1.314 -5.114 -1.294) 5.437 7.557 ( 5.716 1.137 0.666) 5.866 7.613 ( 1.076 -3.331 0.609) 3.553 7.643 ( 0.835 -1.714 1.481) 2.414 7.672 ( -1.103 -5.087 -0.643) 5.245 7.807 ( 0.853 1.993 3.370) 4.007 7.858 ( 0.408 -2.961 4.706) 5.575 7.873 ( -4.006 0.875 4.905) 6.393 7.909 ( -3.693 -2.001 5.073) 6.586 8.216 ( -1.320 10.435 3.913) 11.223 8.247 ( -4.015 11.306 6.173) 13.493 8.394 ( 0.372 -7.891 4.216) 8.954 8.438 ( -3.742 -8.505 6.629) 11.414 8.786 ( 3.267 2.415 -1.261) 4.254 8.796 ( 3.296 3.231 -0.431) 4.636 8.835 ( 5.798 -2.189 -0.823) 6.252 8.844 ( 6.349 -1.013 -0.301) 6.436 8.969 ( 0.394 1.950 -1.290) 2.371 9.011 ( -2.926 -1.751 -0.318) 3.424 9.047 ( 0.631 6.081 0.930) 6.184 9.069 ( -8.786 -0.341 1.833) 8.982 9.108 ( -6.095 -0.529 1.330) 6.261 9.219 ( -1.424 -1.639 -0.031) 2.171 9.255 ( -4.522 -1.449 -1.582) 5.005 9.333 ( -3.104 -3.305 -1.759) 4.863 9.550 ( 1.185 2.046 0.291) 2.382 9.575 ( -0.235 3.974 -0.332) 3.995 9.643 ( -1.077 -2.708 0.706) 2.998 9.683 ( -3.276 -3.498 0.956) 4.887 9.891 ( 0.075 7.284 1.103) 7.367 9.977 ( -7.039 8.865 0.650) 11.338 10.064 ( 3.570 -11.068 0.182) 11.631 10.194 ( -7.981 -13.756 -1.168) 15.947 10.572 ( 7.875 12.729 -3.407) 15.351 10.745 ( -2.365 6.924 -5.788) 9.329 10.792 ( 0.914 -1.623 -3.720) 4.160 10.974 ( -10.296 -8.545 -6.390) 14.827 12.765 ( 13.974 4.215 -9.673) 17.510 12.858 ( 13.928 -5.045 -9.466) 17.579 12.977 ( -1.801 4.755 -7.558) 9.110 13.065 ( -3.940 -2.028 -9.955) 10.897 13.116 ( -4.524 2.818 -10.639) 11.899 13.138 ( -1.193 1.934 -4.523) 5.061 13.216 ( -1.814 -5.284 -7.744) 9.549 13.247 ( -4.809 -5.675 -6.990) 10.207 13.355 ( 10.639 3.469 -13.299) 17.380 13.416 ( 10.812 -2.731 -14.156) 18.021 13.570 ( -9.080 4.592 -16.230) 19.155 13.643 ( -9.996 -2.953 -17.070) 20.001 13.837 ( 5.243 8.141 -1.681) 9.829 13.947 ( -4.246 6.815 -3.963) 8.954 14.011 ( 3.877 -7.942 -1.012) 8.895 14.105 ( -4.512 -7.618 -2.931) 9.327 15.046 ( 6.576 12.468 0.726) 14.114 15.161 ( -3.356 8.632 -1.437) 9.373 15.341 ( 0.870 -13.160 -0.142) 13.189 15.408 ( -4.666 -11.876 -1.115) 12.809 15.939 ( 13.436 9.222 -0.035) 16.297 16.028 ( 11.365 1.560 -1.567) 11.578 16.255 ( -9.090 0.148 3.084) 9.600 16.329 ( -9.553 -5.932 1.828) 11.392 16.517 ( 5.811 3.158 8.711) 10.937 16.539 ( 4.682 2.400 8.044) 9.611 16.645 ( -0.369 -1.678 8.684) 8.852 16.684 ( -3.104 -4.639 8.858) 10.470 16.921 ( -0.322 7.025 16.240) 17.697 16.977 ( -4.870 6.374 15.784) 17.705 17.057 ( -0.595 -5.556 16.746) 17.653 17.103 ( -4.467 -5.273 16.468) 17.859 23.849 ( 1.396 7.325 -0.237) 7.461 23.873 ( -0.861 6.135 -0.176) 6.198 24.009 ( -0.069 -7.661 -0.872) 7.711 24.010 ( -0.184 -7.761 -0.955) 7.821 24.922 ( 3.519 2.768 -1.049) 4.599 24.956 ( 2.450 1.266 -1.493) 3.136 25.001 ( -0.060 -1.283 -1.707) 2.136 25.043 ( -1.579 -3.551 -1.681) 4.234 25.162 ( 0.819 3.469 -3.067) 4.702 25.176 ( 0.093 2.132 -1.913) 2.866 25.228 ( -0.210 -0.516 -3.014) 3.065 25.242 ( -1.735 -2.082 -3.157) 4.161 25.295 ( 2.484 2.755 -2.894) 4.705 25.335 ( -0.327 4.598 -4.368) 6.350 25.370 ( 3.573 -2.844 -5.113) 6.856 25.448 ( -2.935 -5.219 -6.599) 8.910 27.101 ( 2.562 4.824 0.888) 5.534 27.150 ( -1.221 5.498 1.017) 5.722 27.229 ( 2.572 -6.277 -1.005) 6.858 27.314 ( -4.459 -9.368 -1.921) 10.551 27.543 ( 6.923 7.048 -8.591) 13.092 27.651 ( 7.365 -2.775 -9.787) 12.559 27.683 ( -5.057 7.055 -9.253) 12.687 27.817 ( -6.913 -5.479 -11.044) 14.134 28.731 ( 4.256 0.908 0.838) 4.431 28.751 ( 4.810 -1.087 1.138) 5.061 28.826 ( -4.532 1.373 1.495) 4.965 28.856 ( -4.805 -1.600 1.128) 5.189 29.897 ( 5.465 5.028 10.199) 12.616 29.989 ( 2.479 -3.064 10.081) 10.824 30.077 ( -9.287 3.035 9.269) 13.467 30.163 ( -11.449 -4.474 8.642) 15.026 ======================= Grid point 63 (25/40) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 0.000 25.930) 25.930 1.709 ( 0.000 0.000 11.539) 11.539 1.770 ( 0.000 0.000 2.961) 2.961 2.096 ( 0.000 0.000 14.666) 14.666 2.106 ( 0.000 0.000 19.958) 19.958 2.264 ( 0.000 0.000 10.559) 10.559 2.294 ( 0.000 0.000 10.216) 10.216 2.343 ( 0.000 0.000 -0.849) 0.849 2.584 ( 0.000 0.000 -10.210) 10.210 2.666 ( 0.000 0.000 0.217) 0.217 2.817 ( 0.000 0.000 8.058) 8.058 2.847 ( 0.000 0.000 -7.656) 7.656 2.903 ( 0.000 0.000 -12.584) 12.584 2.970 ( 0.000 0.000 -2.674) 2.674 2.996 ( 0.000 0.000 0.697) 0.697 3.099 ( 0.000 0.000 11.780) 11.780 3.214 ( 0.000 0.000 -9.375) 9.375 3.321 ( 0.000 0.000 1.919) 1.919 3.371 ( 0.000 0.000 5.370) 5.370 3.388 ( 0.000 0.000 1.946) 1.946 3.568 ( 0.000 0.000 18.578) 18.578 3.572 ( 0.000 0.000 2.961) 2.961 3.625 ( 0.000 0.000 7.249) 7.249 3.707 ( 0.000 0.000 -0.667) 0.667 3.714 ( 0.000 0.000 -1.148) 1.148 3.829 ( 0.000 0.000 -1.196) 1.196 3.923 ( 0.000 0.000 -6.371) 6.371 3.985 ( 0.000 0.000 -7.257) 7.257 4.076 ( 0.000 0.000 6.101) 6.101 4.224 ( 0.000 0.000 1.411) 1.411 4.309 ( 0.000 0.000 7.708) 7.708 4.375 ( 0.000 0.000 6.232) 6.232 4.411 ( 0.000 0.000 3.503) 3.503 4.444 ( 0.000 0.000 6.642) 6.642 4.452 ( 0.000 0.000 5.485) 5.485 4.599 ( 0.000 0.000 14.361) 14.361 4.676 ( 0.000 0.000 -2.146) 2.146 4.842 ( 0.000 0.000 -1.061) 1.061 5.070 ( 0.000 0.000 11.292) 11.292 5.072 ( 0.000 0.000 6.750) 6.750 5.072 ( 0.000 0.000 10.946) 10.946 5.200 ( 0.000 0.000 4.298) 4.298 5.271 ( 0.000 0.000 0.492) 0.492 5.330 ( 0.000 0.000 2.986) 2.986 5.421 ( 0.000 0.000 -1.680) 1.680 5.455 ( 0.000 0.000 6.106) 6.106 5.525 ( 0.000 0.000 -6.675) 6.675 5.702 ( 0.000 0.000 3.180) 3.180 5.805 ( 0.000 0.000 3.124) 3.124 5.812 ( 0.000 0.000 0.600) 0.600 5.819 ( 0.000 0.000 -6.078) 6.078 5.848 ( 0.000 0.000 -0.598) 0.598 5.934 ( 0.000 0.000 -5.250) 5.250 5.944 ( 0.000 0.000 -6.966) 6.966 6.165 ( 0.000 0.000 0.474) 0.474 6.201 ( 0.000 0.000 0.884) 0.884 6.207 ( 0.000 0.000 1.634) 1.634 6.243 ( 0.000 0.000 0.620) 0.620 6.486 ( 0.000 0.000 6.432) 6.432 6.526 ( 0.000 0.000 2.824) 2.824 6.676 ( 0.000 0.000 -0.591) 0.591 6.696 ( 0.000 0.000 -2.067) 2.067 7.093 ( 0.000 0.000 -3.347) 3.347 7.099 ( 0.000 0.000 -3.199) 3.199 7.112 ( 0.000 0.000 -3.809) 3.809 7.120 ( 0.000 0.000 -0.750) 0.750 7.188 ( 0.000 0.000 5.288) 5.288 7.200 ( 0.000 0.000 3.425) 3.425 7.271 ( 0.000 0.000 0.011) 0.011 7.297 ( 0.000 0.000 0.299) 0.299 7.694 ( 0.000 0.000 4.169) 4.169 7.736 ( 0.000 0.000 1.285) 1.285 7.799 ( 0.000 0.000 -3.041) 3.041 7.862 ( 0.000 0.000 -3.961) 3.961 8.119 ( 0.000 0.000 -0.100) 0.100 8.154 ( 0.000 0.000 -2.913) 2.913 8.454 ( 0.000 0.000 7.764) 7.764 8.465 ( 0.000 0.000 4.826) 4.826 8.485 ( 0.000 0.000 3.206) 3.206 8.537 ( 0.000 0.000 0.929) 0.929 8.636 ( 0.000 0.000 1.047) 1.047 8.719 ( 0.000 0.000 -1.623) 1.623 8.729 ( 0.000 0.000 0.636) 0.636 8.899 ( 0.000 0.000 7.241) 7.241 8.925 ( 0.000 0.000 -4.827) 4.827 9.146 ( 0.000 0.000 0.951) 0.951 9.189 ( 0.000 0.000 -0.268) 0.268 9.262 ( 0.000 0.000 2.616) 2.616 9.308 ( 0.000 0.000 4.451) 4.451 9.435 ( 0.000 0.000 -1.172) 1.172 9.505 ( 0.000 0.000 -1.365) 1.365 9.512 ( 0.000 0.000 -0.259) 0.259 9.527 ( 0.000 0.000 -7.449) 7.449 9.618 ( 0.000 0.000 -2.758) 2.758 9.701 ( 0.000 0.000 -0.609) 0.609 9.770 ( 0.000 0.000 -15.441) 15.441 10.172 ( 0.000 0.000 7.278) 7.278 10.378 ( 0.000 0.000 2.214) 2.214 10.499 ( 0.000 0.000 3.325) 3.325 10.564 ( 0.000 0.000 4.725) 4.725 10.650 ( 0.000 0.000 -9.481) 9.481 10.680 ( 0.000 0.000 -1.047) 1.047 10.761 ( 0.000 0.000 3.313) 3.313 11.152 ( 0.000 0.000 -13.758) 13.758 12.088 ( 0.000 0.000 3.064) 3.064 12.402 ( 0.000 0.000 -13.078) 13.078 12.628 ( 0.000 0.000 2.145) 2.145 12.674 ( 0.000 0.000 -4.676) 4.676 12.840 ( 0.000 0.000 2.813) 2.813 12.938 ( 0.000 0.000 -3.936) 3.936 13.045 ( 0.000 0.000 1.631) 1.631 13.106 ( 0.000 0.000 -3.788) 3.788 13.172 ( 0.000 0.000 -8.729) 8.729 13.287 ( 0.000 0.000 -10.432) 10.432 13.471 ( 0.000 0.000 -5.222) 5.222 13.503 ( 0.000 0.000 -10.104) 10.104 13.715 ( 0.000 0.000 0.820) 0.820 13.892 ( 0.000 0.000 -6.603) 6.603 13.961 ( 0.000 0.000 -0.061) 0.061 14.207 ( 0.000 0.000 -7.527) 7.527 14.816 ( 0.000 0.000 7.148) 7.148 15.020 ( 0.000 0.000 4.812) 4.812 15.161 ( 0.000 0.000 -9.383) 9.383 15.330 ( 0.000 0.000 -8.765) 8.765 15.582 ( 0.000 0.000 -2.551) 2.551 15.586 ( 0.000 0.000 -2.750) 2.750 16.302 ( 0.000 0.000 6.420) 6.420 16.340 ( 0.000 0.000 5.492) 5.492 16.499 ( 0.000 0.000 4.829) 4.829 16.550 ( 0.000 0.000 0.890) 0.890 16.823 ( 0.000 0.000 1.764) 1.764 16.926 ( 0.000 0.000 -2.031) 2.031 17.423 ( 0.000 0.000 10.152) 10.152 17.474 ( 0.000 0.000 8.195) 8.195 17.576 ( 0.000 0.000 11.514) 11.514 17.669 ( 0.000 0.000 7.659) 7.659 23.694 ( 0.000 0.000 2.117) 2.117 23.810 ( 0.000 0.000 -2.727) 2.727 24.070 ( 0.000 0.000 -1.929) 1.929 24.073 ( 0.000 0.000 -0.680) 0.680 24.816 ( 0.000 0.000 4.788) 4.788 24.827 ( 0.000 0.000 4.990) 4.990 24.975 ( 0.000 0.000 0.949) 0.949 24.997 ( 0.000 0.000 2.506) 2.506 25.001 ( 0.000 0.000 0.465) 0.465 25.038 ( 0.000 0.000 -0.109) 0.109 25.150 ( 0.000 0.000 -3.702) 3.702 25.167 ( 0.000 0.000 -0.827) 0.827 25.212 ( 0.000 0.000 -7.216) 7.216 25.225 ( 0.000 0.000 -3.491) 3.491 25.346 ( 0.000 0.000 0.796) 0.796 25.406 ( 0.000 0.000 -2.586) 2.586 27.023 ( 0.000 0.000 -0.386) 0.386 27.088 ( 0.000 0.000 -1.444) 1.444 27.163 ( 0.000 0.000 -0.359) 0.359 27.206 ( 0.000 0.000 -3.201) 3.201 27.211 ( 0.000 0.000 5.207) 5.207 27.449 ( 0.000 0.000 -4.807) 4.807 27.782 ( 0.000 0.000 -4.194) 4.194 27.875 ( 0.000 0.000 -5.590) 5.590 28.569 ( 0.000 0.000 -3.320) 3.320 28.591 ( 0.000 0.000 -3.510) 3.510 28.639 ( 0.000 0.000 -8.219) 8.219 28.651 ( 0.000 0.000 -7.768) 7.768 30.266 ( 0.000 0.000 16.952) 16.952 30.509 ( 0.000 0.000 3.858) 3.858 30.885 ( 0.000 0.000 5.735) 5.735 30.983 ( 0.000 0.000 1.472) 1.472 ======================= Grid point 64 (26/40) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 2.251 0.000 24.913) 25.015 1.850 ( 12.312 0.000 13.268) 18.101 1.917 ( 13.539 0.000 3.107) 13.891 2.113 ( 2.080 0.000 15.770) 15.907 2.176 ( -9.114 0.000 11.436) 14.624 2.188 ( 7.903 0.000 13.067) 15.271 2.306 ( 4.068 0.000 9.152) 10.016 2.390 ( 1.029 0.000 1.238) 1.610 2.485 ( -6.713 0.000 -12.188) 13.914 2.715 ( 3.951 0.000 -0.887) 4.049 2.821 ( 1.035 0.000 7.123) 7.197 2.843 ( -1.938 0.000 -5.680) 6.002 2.882 ( 1.133 0.000 -9.166) 9.236 3.016 ( 2.368 0.000 -5.592) 6.073 3.053 ( 3.636 0.000 0.574) 3.681 3.073 ( -4.146 0.000 10.124) 10.940 3.199 ( -1.593 0.000 -8.016) 8.173 3.221 ( -8.437 0.000 2.059) 8.684 3.336 ( -2.712 0.000 3.194) 4.190 3.430 ( 3.283 0.000 0.723) 3.362 3.548 ( -6.695 0.000 5.745) 8.822 3.639 ( 0.212 0.000 10.142) 10.144 3.648 ( 3.457 0.000 3.128) 4.662 3.678 ( 1.759 0.000 4.264) 4.613 3.710 ( -1.975 0.000 -1.071) 2.247 3.764 ( -5.766 0.000 0.028) 5.766 3.805 ( -3.538 0.000 -2.553) 4.363 3.936 ( -1.323 0.000 -6.031) 6.175 4.028 ( -3.795 0.000 7.987) 8.843 4.206 ( -0.076 0.000 3.936) 3.937 4.347 ( 4.799 0.000 6.319) 7.934 4.388 ( -2.870 0.000 2.277) 3.664 4.431 ( -1.258 0.000 1.734) 2.142 4.445 ( 3.539 0.000 6.425) 7.336 4.529 ( 5.799 0.000 7.479) 9.464 4.696 ( 3.173 0.000 0.685) 3.246 4.698 ( 7.651 0.000 10.455) 12.955 4.908 ( 4.276 0.000 5.202) 6.733 5.039 ( 0.980 0.000 7.565) 7.628 5.044 ( -3.455 0.000 5.431) 6.437 5.139 ( 3.271 0.000 10.020) 10.541 5.180 ( -0.039 0.000 2.168) 2.168 5.258 ( -1.065 0.000 0.362) 1.125 5.277 ( -4.430 0.000 3.800) 5.837 5.379 ( -3.916 0.000 -0.209) 3.921 5.496 ( 3.236 0.000 5.625) 6.489 5.513 ( -1.887 0.000 -4.533) 4.910 5.714 ( 2.279 0.000 3.636) 4.291 5.743 ( -5.070 0.000 -4.548) 6.811 5.811 ( 0.536 0.000 3.205) 3.249 5.864 ( 2.014 0.000 -1.429) 2.470 5.888 ( 6.283 0.000 0.490) 6.302 5.980 ( 2.462 0.000 -6.054) 6.535 5.981 ( 3.693 0.000 -4.558) 5.867 6.177 ( -2.274 0.000 1.840) 2.926 6.232 ( -0.825 0.000 -1.312) 1.550 6.234 ( 5.684 0.000 2.266) 6.119 6.270 ( 6.316 0.000 0.200) 6.319 6.509 ( 1.704 0.000 6.638) 6.853 6.581 ( 4.363 0.000 2.932) 5.256 6.694 ( -0.446 0.000 -1.617) 1.677 6.696 ( 1.423 0.000 -0.463) 1.497 7.060 ( -2.906 0.000 4.225) 5.128 7.120 ( 0.237 0.000 -0.628) 0.671 7.145 ( 3.184 0.000 -1.651) 3.586 7.178 ( 6.635 0.000 -2.642) 7.142 7.220 ( -1.405 0.000 0.912) 1.675 7.228 ( 3.262 0.000 3.703) 4.935 7.306 ( 3.121 0.000 0.921) 3.254 7.339 ( 7.318 0.000 -3.436) 8.084 7.655 ( -2.252 0.000 2.791) 3.586 7.732 ( 0.149 0.000 2.933) 2.936 7.824 ( 0.102 0.000 -5.406) 5.407 7.912 ( 4.188 0.000 -3.991) 5.785 8.081 ( -1.470 0.000 2.442) 2.851 8.145 ( -2.225 0.000 0.330) 2.250 8.403 ( -6.814 0.000 3.823) 7.813 8.479 ( -5.994 0.000 1.517) 6.183 8.479 ( 4.133 0.000 4.843) 6.367 8.552 ( 6.038 0.000 2.032) 6.371 8.630 ( -0.250 0.000 2.006) 2.022 8.712 ( -0.306 0.000 -2.211) 2.232 8.721 ( -0.852 0.000 -0.232) 0.883 8.817 ( -7.347 0.000 -4.659) 8.699 8.828 ( -6.191 0.000 6.583) 9.037 9.164 ( 0.542 0.000 1.731) 1.814 9.230 ( 3.209 0.000 1.006) 3.363 9.240 ( -3.255 0.000 -1.457) 3.566 9.273 ( -1.074 0.000 3.411) 3.576 9.405 ( -3.195 0.000 -1.824) 3.679 9.417 ( -12.716 0.000 -5.302) 13.778 9.497 ( -2.757 0.000 -5.912) 6.523 9.540 ( 0.051 0.000 1.222) 1.223 9.586 ( 4.308 0.000 -1.011) 4.425 9.680 ( 2.552 0.000 1.462) 2.942 9.842 ( -0.382 0.000 -8.684) 8.692 10.138 ( -3.866 0.000 5.917) 7.068 10.277 ( -8.707 0.000 1.778) 8.887 10.416 ( -7.103 0.000 2.882) 7.665 10.448 ( -9.581 0.000 4.025) 10.392 10.613 ( -5.977 0.000 -3.974) 7.177 10.617 ( -3.618 0.000 -9.014) 9.713 10.779 ( 0.923 0.000 2.746) 2.897 11.135 ( -2.176 0.000 -12.903) 13.085 12.162 ( 6.964 0.000 2.204) 7.304 12.460 ( 5.377 0.000 -12.703) 13.794 12.547 ( -2.525 0.000 3.933) 4.673 12.699 ( 2.992 0.000 -6.617) 7.262 12.880 ( 3.539 0.000 1.964) 4.047 12.976 ( 3.008 0.000 -4.675) 5.559 13.127 ( 5.652 0.000 0.220) 5.656 13.136 ( -3.431 0.000 -7.738) 8.465 13.171 ( 2.959 0.000 -4.873) 5.701 13.288 ( 0.270 0.000 -10.682) 10.686 13.445 ( -3.395 0.000 -7.529) 8.259 13.532 ( 2.561 0.000 -9.129) 9.481 13.705 ( -0.842 0.000 1.108) 1.391 13.878 ( -1.344 0.000 -6.397) 6.537 13.974 ( 1.646 0.000 1.433) 2.183 14.200 ( -0.755 0.000 -6.506) 6.549 14.829 ( 1.378 0.000 6.590) 6.733 15.139 ( -1.997 0.000 -8.105) 8.347 15.142 ( 11.559 0.000 3.615) 12.111 15.412 ( 8.045 0.000 -8.009) 11.352 15.568 ( -1.543 0.000 -1.994) 2.521 15.588 ( 0.235 0.000 -2.900) 2.909 16.358 ( 5.209 0.000 6.246) 8.133 16.388 ( 4.615 0.000 5.650) 7.295 16.511 ( 0.353 0.000 4.255) 4.270 16.570 ( 1.623 0.000 0.970) 1.891 16.794 ( -2.480 0.000 2.894) 3.811 16.920 ( -0.585 0.000 -1.519) 1.628 17.363 ( -5.527 0.000 10.571) 11.928 17.424 ( -4.772 0.000 7.987) 9.304 17.527 ( -4.192 0.000 11.801) 12.523 17.623 ( -4.275 0.000 7.695) 8.803 23.709 ( 1.417 0.000 1.889) 2.362 23.813 ( 0.243 0.000 -2.350) 2.363 24.069 ( -0.069 0.000 -1.633) 1.634 24.072 ( -0.084 0.000 -0.850) 0.854 24.826 ( 1.194 0.000 3.178) 3.395 24.842 ( 1.173 0.000 4.903) 5.042 24.972 ( -0.119 0.000 -0.908) 0.916 25.005 ( 0.876 0.000 1.936) 2.125 25.030 ( 2.170 0.000 -1.052) 2.412 25.060 ( 1.903 0.000 -0.658) 2.013 25.161 ( -0.578 0.000 -0.973) 1.132 25.164 ( 1.383 0.000 -2.988) 3.293 25.216 ( 0.326 0.000 -6.276) 6.285 25.221 ( -0.431 0.000 -3.544) 3.570 25.338 ( -0.746 0.000 0.905) 1.173 25.410 ( 0.316 0.000 -3.162) 3.178 27.030 ( 0.739 0.000 0.448) 0.864 27.116 ( 2.614 0.000 -2.653) 3.724 27.181 ( 1.719 0.000 -0.084) 1.722 27.206 ( -0.575 0.000 4.990) 5.023 27.246 ( 3.894 0.000 -3.779) 5.427 27.443 ( -0.663 0.000 -5.306) 5.348 27.737 ( -4.213 0.000 -3.032) 5.191 27.857 ( -2.040 0.000 -6.817) 7.116 28.577 ( 1.581 0.000 -1.918) 2.486 28.599 ( 1.851 0.000 -1.721) 2.527 28.697 ( 4.557 0.000 -7.641) 8.896 28.717 ( 5.140 0.000 -7.380) 8.994 30.207 ( -5.347 0.000 16.016) 16.885 30.446 ( -5.929 0.000 3.424) 6.847 30.741 ( -12.723 0.000 7.835) 14.942 30.868 ( -10.640 0.000 1.683) 10.772 ======================= Grid point 65 (27/40) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 3.266 0.000 19.691) 19.960 1.967 ( -8.538 0.000 13.763) 16.197 2.083 ( 8.487 0.000 20.271) 21.976 2.259 ( 17.347 0.000 3.387) 17.675 2.280 ( 15.272 0.000 3.973) 15.780 2.303 ( -7.674 0.000 -3.318) 8.360 2.369 ( -10.764 0.000 -11.385) 15.668 2.374 ( 9.298 0.000 3.846) 10.062 2.435 ( 9.008 0.000 6.474) 11.093 2.774 ( -0.581 0.000 -6.656) 6.681 2.801 ( -0.329 0.000 -2.775) 2.794 2.810 ( -2.049 0.000 9.773) 9.986 2.925 ( 1.536 0.000 1.764) 2.339 2.952 ( -0.859 0.000 4.490) 4.571 3.007 ( -3.765 0.000 -6.549) 7.554 3.095 ( -3.910 0.000 4.046) 5.627 3.129 ( 2.528 0.000 -2.750) 3.735 3.143 ( -3.665 0.000 -5.336) 6.473 3.289 ( -0.790 0.000 2.931) 3.036 3.383 ( -9.342 0.000 2.107) 9.577 3.465 ( -4.116 0.000 -1.937) 4.549 3.513 ( -4.940 0.000 -3.185) 5.878 3.593 ( -2.915 0.000 2.651) 3.940 3.652 ( -2.726 0.000 2.932) 4.004 3.668 ( -3.894 0.000 0.982) 4.016 3.783 ( 0.874 0.000 1.731) 1.939 3.845 ( 3.761 0.000 2.466) 4.497 3.958 ( 1.205 0.000 0.000) 1.205 3.998 ( 3.283 0.000 16.110) 16.441 4.227 ( 1.513 0.000 4.492) 4.740 4.310 ( -4.310 0.000 0.258) 4.317 4.393 ( -1.890 0.000 -3.951) 4.380 4.513 ( 9.851 0.000 4.757) 10.939 4.560 ( 8.907 0.000 5.036) 10.232 4.655 ( 6.418 0.000 11.918) 13.536 4.802 ( 2.785 0.000 7.830) 8.311 4.804 ( 6.081 0.000 5.866) 8.449 4.968 ( -2.238 0.000 2.610) 3.439 4.992 ( 3.690 0.000 7.420) 8.287 5.066 ( -0.305 0.000 6.777) 6.784 5.172 ( -3.945 0.000 4.979) 6.353 5.217 ( 4.647 0.000 6.143) 7.703 5.221 ( 1.637 0.000 1.942) 2.540 5.228 ( -1.618 0.000 3.107) 3.503 5.282 ( -4.478 0.000 1.327) 4.671 5.459 ( -2.998 0.000 0.613) 3.060 5.546 ( 0.929 0.000 4.145) 4.248 5.648 ( -3.944 0.000 -1.055) 4.083 5.796 ( 4.967 0.000 0.953) 5.058 5.827 ( 1.183 0.000 2.164) 2.466 5.925 ( 2.885 0.000 -0.125) 2.888 6.022 ( -1.184 0.000 -1.417) 1.846 6.023 ( 5.644 0.000 -0.680) 5.685 6.065 ( 6.588 0.000 -1.743) 6.815 6.182 ( 4.291 0.000 -0.696) 4.347 6.237 ( 2.597 0.000 -2.130) 3.358 6.359 ( 5.625 0.000 3.250) 6.497 6.414 ( 6.754 0.000 -0.399) 6.765 6.524 ( -0.823 0.000 5.005) 5.072 6.656 ( 2.327 0.000 2.743) 3.597 6.661 ( -3.231 0.000 -1.280) 3.475 6.707 ( -0.144 0.000 0.854) 0.866 7.006 ( -2.256 0.000 4.717) 5.229 7.130 ( 0.750 0.000 2.837) 2.934 7.150 ( -4.391 0.000 -0.538) 4.424 7.189 ( 1.162 0.000 3.492) 3.680 7.299 ( 2.854 0.000 2.452) 3.763 7.369 ( 11.411 0.000 0.797) 11.439 7.383 ( 3.407 0.000 -0.170) 3.411 7.545 ( 11.210 0.000 -4.427) 12.052 7.634 ( 0.494 0.000 0.688) 0.847 7.754 ( 2.014 0.000 6.296) 6.610 7.779 ( -3.498 0.000 -5.850) 6.816 7.997 ( 3.008 0.000 -2.174) 3.711 8.059 ( -1.836 0.000 2.781) 3.333 8.076 ( -3.630 0.000 4.249) 5.588 8.247 ( -7.797 0.000 3.895) 8.716 8.328 ( -7.772 0.000 1.907) 8.002 8.600 ( -3.372 0.000 6.718) 7.517 8.607 ( 7.367 0.000 0.009) 7.367 8.670 ( 4.777 0.000 -0.826) 4.848 8.707 ( -2.671 0.000 3.187) 4.159 8.722 ( 1.143 0.000 -2.486) 2.736 8.727 ( 1.380 0.000 -2.138) 2.544 8.748 ( 2.965 0.000 -2.774) 4.060 9.056 ( -11.147 0.000 -8.240) 13.862 9.145 ( -2.761 0.000 1.649) 3.216 9.270 ( -3.029 0.000 2.791) 4.119 9.289 ( -1.039 0.000 -1.098) 1.512 9.291 ( -7.452 0.000 -3.730) 8.333 9.296 ( 2.344 0.000 3.340) 4.080 9.441 ( -1.818 0.000 -3.349) 3.810 9.468 ( -6.671 0.000 2.731) 7.208 9.591 ( -4.432 0.000 -1.138) 4.576 9.724 ( -0.031 0.000 -0.071) 0.077 9.782 ( -3.156 0.000 -2.334) 3.926 9.994 ( -9.445 0.000 3.328) 10.014 10.079 ( -10.061 0.000 0.012) 10.061 10.276 ( -4.976 0.000 3.128) 5.877 10.287 ( -3.032 0.000 2.310) 3.812 10.501 ( -7.363 0.000 -7.625) 10.600 10.509 ( -3.059 0.000 -7.280) 7.896 10.767 ( -1.847 0.000 1.409) 2.323 11.048 ( -6.315 0.000 -10.943) 12.634 12.352 ( 10.966 0.000 -0.243) 10.968 12.601 ( 7.785 0.000 -12.084) 14.374 12.605 ( 7.612 0.000 1.907) 7.847 12.819 ( 8.126 0.000 -9.479) 12.485 12.940 ( 0.468 0.000 -3.552) 3.583 13.019 ( -3.057 0.000 -8.518) 9.050 13.067 ( 1.909 0.000 0.136) 1.914 13.176 ( -2.134 0.000 -5.293) 5.707 13.222 ( 2.862 0.000 -4.146) 5.038 13.297 ( 0.110 0.000 -10.786) 10.787 13.345 ( -5.439 0.000 -2.874) 6.151 13.534 ( -2.987 0.000 -10.487) 10.904 13.693 ( 0.093 0.000 1.426) 1.429 13.840 ( -2.360 0.000 -5.532) 6.015 14.030 ( 3.364 0.000 1.763) 3.798 14.175 ( -1.655 0.000 -4.409) 4.709 14.874 ( 2.957 0.000 4.816) 5.651 15.089 ( -2.786 0.000 -5.398) 6.075 15.452 ( 17.514 0.000 2.062) 17.635 15.533 ( -1.603 0.000 -0.590) 1.708 15.578 ( -1.303 0.000 -2.534) 2.849 15.644 ( 13.795 0.000 -6.166) 15.110 16.468 ( -5.284 0.000 2.784) 5.972 16.494 ( 7.504 0.000 6.129) 9.689 16.515 ( 7.240 0.000 5.733) 9.235 16.557 ( -4.976 0.000 -1.726) 5.267 16.774 ( 2.137 0.000 7.036) 7.353 16.907 ( -0.394 0.000 1.608) 1.656 17.224 ( -7.300 0.000 10.735) 12.982 17.291 ( -7.747 0.000 7.790) 10.987 17.437 ( -3.970 0.000 10.977) 11.673 17.514 ( -5.821 0.000 7.904) 9.816 23.746 ( 2.013 0.000 1.341) 2.419 23.817 ( -0.008 0.000 -1.403) 1.403 24.067 ( -0.086 0.000 -1.192) 1.195 24.070 ( -0.133 0.000 -1.066) 1.075 24.864 ( 2.103 0.000 1.957) 2.873 24.874 ( 2.180 0.000 2.519) 3.331 24.968 ( -0.277 0.000 -2.647) 2.661 25.033 ( 1.810 0.000 0.911) 2.027 25.061 ( 0.241 0.000 -4.140) 4.147 25.105 ( 2.297 0.000 -2.032) 3.067 25.144 ( -1.093 0.000 -1.075) 1.533 25.200 ( 1.932 0.000 -2.305) 3.007 25.207 ( -0.937 0.000 -3.622) 3.741 25.228 ( 1.027 0.000 -3.785) 3.922 25.320 ( -0.738 0.000 0.779) 1.073 25.411 ( -0.604 0.000 -4.345) 4.387 27.055 ( 1.748 0.000 1.725) 2.456 27.185 ( -1.320 0.000 3.619) 3.852 27.187 ( 4.039 0.000 -3.920) 5.628 27.236 ( 3.824 0.000 0.808) 3.908 27.358 ( 6.729 0.000 -5.640) 8.780 27.417 ( -2.000 0.000 -6.297) 6.607 27.621 ( -6.756 0.000 -1.036) 6.835 27.785 ( -4.966 0.000 -8.381) 9.742 28.643 ( 4.639 0.000 0.801) 4.708 28.677 ( 5.497 0.000 1.301) 5.649 28.789 ( 3.647 0.000 -5.228) 6.375 28.824 ( 4.583 0.000 -5.248) 6.967 30.084 ( -5.532 0.000 12.782) 13.928 30.287 ( -9.004 0.000 2.787) 9.426 30.450 ( -13.646 0.000 9.577) 16.671 30.596 ( -14.565 0.000 2.274) 14.741 ======================= Grid point 66 (28/40) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 6.261 0.000 7.747) 9.961 1.933 ( 1.674 0.000 9.373) 9.521 2.027 ( -13.444 0.000 -3.368) 13.860 2.133 ( -9.765 0.000 2.569) 10.097 2.273 ( 10.718 0.000 9.795) 14.520 2.426 ( -0.243 0.000 6.142) 6.147 2.539 ( 5.341 0.000 2.327) 5.826 2.598 ( 1.680 0.000 -0.890) 1.901 2.675 ( 6.298 0.000 -2.891) 6.930 2.714 ( 13.217 0.000 1.962) 13.361 2.844 ( 2.259 0.000 -2.534) 3.395 2.852 ( 4.573 0.000 4.380) 6.332 2.925 ( -1.552 0.000 -0.764) 1.730 2.939 ( -3.080 0.000 -0.318) 3.097 2.948 ( 0.886 0.000 1.567) 1.800 3.067 ( -3.454 0.000 -1.323) 3.699 3.078 ( 2.752 0.000 3.814) 4.704 3.139 ( -1.777 0.000 -1.342) 2.227 3.143 ( -11.601 0.000 0.362) 11.607 3.178 ( -12.132 0.000 0.048) 12.132 3.412 ( 3.845 0.000 -0.119) 3.847 3.486 ( -1.677 0.000 -3.654) 4.021 3.568 ( 0.300 0.000 5.571) 5.579 3.598 ( -2.502 0.000 5.001) 5.592 3.646 ( 1.934 0.000 2.169) 2.906 3.725 ( -4.537 0.000 0.014) 4.537 3.905 ( 2.462 0.000 1.329) 2.798 3.950 ( -1.672 0.000 0.716) 1.819 4.109 ( 5.616 0.000 8.158) 9.905 4.216 ( -4.730 0.000 2.657) 5.426 4.270 ( 2.729 0.000 -0.463) 2.768 4.342 ( -3.468 0.000 -3.305) 4.791 4.692 ( 6.659 0.000 8.237) 10.592 4.724 ( 4.162 0.000 6.996) 8.141 4.793 ( 6.822 0.000 13.172) 14.834 4.861 ( 3.692 0.000 5.825) 6.897 4.885 ( -0.206 0.000 8.185) 8.187 4.961 ( -5.453 0.000 1.521) 5.661 4.974 ( 3.259 0.000 4.983) 5.954 5.079 ( -5.296 0.000 5.839) 7.883 5.113 ( 4.855 0.000 9.158) 10.366 5.192 ( -2.331 0.000 5.005) 5.522 5.235 ( 0.802 0.000 5.076) 5.139 5.254 ( 0.057 0.000 1.581) 1.582 5.310 ( 4.019 0.000 3.804) 5.534 5.389 ( -3.796 0.000 1.873) 4.233 5.548 ( 0.367 0.000 1.567) 1.609 5.581 ( -2.661 0.000 0.699) 2.751 5.861 ( 2.036 0.000 1.374) 2.456 5.877 ( 1.798 0.000 0.359) 1.834 5.949 ( 0.141 0.000 -0.297) 0.329 5.975 ( -2.235 0.000 0.038) 2.236 6.136 ( 5.048 0.000 1.713) 5.331 6.175 ( 2.343 0.000 0.607) 2.421 6.309 ( 7.242 0.000 -0.140) 7.243 6.360 ( 7.442 0.000 0.340) 7.450 6.435 ( 2.136 0.000 2.837) 3.552 6.466 ( -4.125 0.000 1.183) 4.292 6.478 ( -1.241 0.000 0.350) 1.289 6.552 ( -7.323 0.000 -1.365) 7.449 6.711 ( 3.856 0.000 0.758) 3.930 6.734 ( 2.183 0.000 0.401) 2.220 6.968 ( -0.397 0.000 2.942) 2.969 7.042 ( -6.033 0.000 0.150) 6.035 7.152 ( 1.405 0.000 5.806) 5.974 7.184 ( -1.389 0.000 6.095) 6.251 7.359 ( 3.033 0.000 0.141) 3.037 7.407 ( -1.091 0.000 -0.740) 1.319 7.600 ( 9.755 0.000 3.533) 10.375 7.667 ( 2.199 0.000 -0.467) 2.248 7.706 ( 0.944 0.000 1.350) 1.648 7.714 ( -2.593 0.000 -2.849) 3.853 7.837 ( 7.749 0.000 4.994) 9.219 7.989 ( -4.768 0.000 2.182) 5.243 8.013 ( -1.364 0.000 3.861) 4.095 8.020 ( -1.852 0.000 3.918) 4.333 8.130 ( -1.718 0.000 2.058) 2.681 8.185 ( -5.783 0.000 1.412) 5.953 8.563 ( 1.293 0.000 4.272) 4.463 8.642 ( -4.576 0.000 3.181) 5.573 8.710 ( 2.758 0.000 -1.884) 3.340 8.733 ( 0.243 0.000 -1.199) 1.224 8.823 ( 9.275 0.000 -1.858) 9.459 8.840 ( 8.939 0.000 -1.223) 9.023 8.890 ( 8.739 0.000 -3.243) 9.321 8.940 ( 1.535 0.000 -5.148) 5.372 9.029 ( -8.099 0.000 0.667) 8.127 9.106 ( -9.843 0.000 -2.309) 10.110 9.108 ( -11.745 0.000 0.605) 11.760 9.132 ( -11.807 0.000 -0.631) 11.824 9.352 ( 3.672 0.000 2.142) 4.251 9.422 ( -1.660 0.000 -1.066) 1.972 9.433 ( 3.171 0.000 -0.583) 3.224 9.507 ( -3.363 0.000 -3.138) 4.600 9.692 ( -0.270 0.000 0.962) 0.999 9.730 ( -2.812 0.000 -0.247) 2.823 9.843 ( -3.105 0.000 1.369) 3.393 9.894 ( -6.997 0.000 -0.716) 7.033 10.243 ( 1.937 0.000 0.296) 1.960 10.339 ( 6.060 0.000 0.035) 6.060 10.344 ( -7.215 0.000 -4.434) 8.469 10.456 ( -4.039 0.000 -4.010) 5.691 10.764 ( 3.298 0.000 -3.462) 4.782 10.894 ( -8.079 0.000 -8.333) 11.606 12.582 ( 10.895 0.000 -3.724) 11.514 12.725 ( 1.040 0.000 -9.954) 10.008 12.808 ( 11.008 0.000 -2.320) 11.250 12.877 ( -2.823 0.000 -6.200) 6.813 12.928 ( -4.192 0.000 -6.925) 8.095 12.962 ( 1.372 0.000 -9.153) 9.255 13.102 ( -1.726 0.000 -6.463) 6.690 13.171 ( 5.670 0.000 -2.489) 6.192 13.182 ( -5.201 0.000 -8.294) 9.790 13.267 ( -3.304 0.000 -7.708) 8.386 13.331 ( 3.572 0.000 -0.287) 3.584 13.433 ( -5.917 0.000 -6.685) 8.927 13.722 ( 2.596 0.000 -0.499) 2.643 13.784 ( -3.107 0.000 -3.546) 4.714 14.092 ( 2.536 0.000 -0.325) 2.557 14.137 ( -2.027 0.000 -2.376) 3.123 14.946 ( 3.960 0.000 1.766) 4.336 15.025 ( -3.555 0.000 -1.988) 4.073 15.516 ( 0.194 0.000 -0.059) 0.203 15.541 ( -1.947 0.000 -1.042) 2.208 15.802 ( 15.053 0.000 0.939) 15.082 15.904 ( 8.161 0.000 -3.613) 8.924 16.320 ( -6.195 0.000 1.577) 6.393 16.387 ( -9.705 0.000 -1.697) 9.852 16.634 ( 5.081 0.000 6.059) 7.907 16.646 ( 4.202 0.000 5.661) 7.050 16.850 ( 3.813 0.000 6.910) 7.892 16.900 ( -0.964 0.000 4.900) 4.994 17.103 ( -3.217 0.000 9.823) 10.336 17.138 ( -6.088 0.000 8.283) 10.280 17.384 ( -0.851 0.000 9.419) 9.457 17.412 ( -3.568 0.000 8.395) 9.122 23.784 ( 1.652 0.000 0.620) 1.765 23.809 ( -0.777 0.000 -0.306) 0.835 24.066 ( -0.007 0.000 -1.051) 1.051 24.067 ( -0.102 0.000 -1.086) 1.091 24.901 ( 1.607 0.000 1.262) 2.043 24.918 ( 0.724 0.000 -0.139) 0.738 24.973 ( 1.756 0.000 -2.952) 3.435 25.031 ( -2.844 0.000 -4.251) 5.115 25.074 ( 2.140 0.000 -0.144) 2.145 25.115 ( -1.726 0.000 -0.987) 1.989 25.148 ( 1.909 0.000 -2.918) 3.487 25.183 ( -1.439 0.000 -3.506) 3.790 25.236 ( 1.401 0.000 -1.762) 2.251 25.250 ( 0.330 0.000 -1.829) 1.859 25.325 ( 1.810 0.000 -1.711) 2.491 25.378 ( -2.514 0.000 -4.264) 4.949 27.098 ( 2.374 0.000 2.791) 3.664 27.147 ( -2.251 0.000 3.647) 4.286 27.277 ( 4.452 0.000 -6.269) 7.689 27.337 ( 5.995 0.000 1.240) 6.122 27.360 ( -3.527 0.000 -6.809) 7.669 27.474 ( -6.848 0.000 0.010) 6.848 27.509 ( 7.288 0.000 -7.030) 10.125 27.661 ( -7.026 0.000 -8.644) 11.139 28.748 ( 5.038 0.000 1.784) 5.344 28.800 ( 5.692 0.000 2.081) 6.060 28.818 ( -1.152 0.000 -0.868) 1.442 28.871 ( -0.629 0.000 -0.974) 1.159 30.026 ( 0.607 0.000 7.513) 7.537 30.112 ( -7.230 0.000 3.607) 8.079 30.265 ( -3.109 0.000 7.148) 7.795 30.336 ( -9.417 0.000 3.742) 10.133 ======================= Grid point 70 (29/40) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 1.827 9.352) 9.529 1.751 ( 0.000 5.379 9.514) 10.930 1.774 ( 0.000 9.699 14.147) 17.153 2.065 ( 0.000 -7.963 8.943) 11.975 2.079 ( 0.000 -1.501 19.091) 19.150 2.091 ( 0.000 -8.372 16.265) 18.294 2.333 ( 0.000 2.949 8.611) 9.102 2.371 ( 0.000 -0.504 5.695) 5.718 2.660 ( 0.000 6.836 -8.419) 10.844 2.729 ( 0.000 4.226 -2.088) 4.713 2.808 ( 0.000 -2.689 -5.335) 5.974 2.839 ( 0.000 -0.485 2.376) 2.425 2.915 ( 0.000 2.087 -7.893) 8.164 2.948 ( 0.000 -1.276 -2.582) 2.880 3.043 ( 0.000 3.252 0.683) 3.323 3.093 ( 0.000 -1.741 10.102) 10.251 3.213 ( 0.000 0.622 -6.676) 6.705 3.282 ( 0.000 -5.505 2.263) 5.952 3.365 ( 0.000 0.706 7.947) 7.978 3.387 ( 0.000 0.957 2.453) 2.633 3.472 ( 0.000 -3.263 14.972) 15.324 3.544 ( 0.000 -6.700 7.071) 9.741 3.613 ( 0.000 3.491 0.597) 3.541 3.679 ( 0.000 -2.277 -0.821) 2.420 3.786 ( 0.000 2.289 -1.908) 2.980 3.803 ( 0.000 -0.799 -1.608) 1.795 3.958 ( 0.000 2.345 -4.106) 4.728 3.991 ( 0.000 -0.703 -5.031) 5.080 4.104 ( 0.000 3.900 6.569) 7.639 4.188 ( 0.000 -3.822 4.071) 5.583 4.332 ( 0.000 0.929 7.154) 7.214 4.349 ( 0.000 -1.414 6.777) 6.923 4.436 ( 0.000 0.581 5.232) 5.264 4.468 ( 0.000 5.939 3.921) 7.116 4.504 ( 0.000 -4.190 3.247) 5.301 4.523 ( 0.000 3.285 8.679) 9.280 4.631 ( 0.000 -3.775 2.373) 4.459 4.732 ( 0.000 -9.741 1.416) 9.844 5.092 ( 0.000 1.974 3.757) 4.244 5.107 ( 0.000 1.116 3.273) 3.458 5.152 ( 0.000 6.972 7.638) 10.342 5.199 ( 0.000 4.723 8.381) 9.620 5.300 ( 0.000 -5.939 5.362) 8.002 5.345 ( 0.000 -8.476 8.264) 11.838 5.370 ( 0.000 2.617 4.389) 5.110 5.375 ( 0.000 1.173 0.165) 1.184 5.612 ( 0.000 7.000 -6.549) 9.586 5.736 ( 0.000 -5.430 -5.123) 7.466 5.746 ( 0.000 3.472 1.319) 3.714 5.802 ( 0.000 -1.874 2.504) 3.127 5.856 ( 0.000 0.857 0.152) 0.871 5.866 ( 0.000 1.320 -1.502) 1.999 5.921 ( 0.000 -0.226 -5.977) 5.981 5.939 ( 0.000 -0.767 -6.552) 6.597 6.113 ( 0.000 -0.589 1.227) 1.361 6.140 ( 0.000 -2.981 0.595) 3.040 6.316 ( 0.000 5.848 -0.156) 5.851 6.327 ( 0.000 4.703 -0.787) 4.769 6.465 ( 0.000 -1.955 6.954) 7.224 6.483 ( 0.000 -3.748 4.522) 5.873 6.679 ( 0.000 0.463 -0.845) 0.964 6.691 ( 0.000 -0.591 -1.579) 1.686 7.104 ( 0.000 1.671 -2.426) 2.946 7.106 ( 0.000 0.653 -0.152) 0.670 7.134 ( 0.000 1.803 -3.881) 4.279 7.137 ( 0.000 0.108 -2.962) 2.964 7.155 ( 0.000 -1.510 5.525) 5.727 7.198 ( 0.000 -2.380 2.084) 3.164 7.288 ( 0.000 1.746 1.014) 2.019 7.301 ( 0.000 1.961 0.120) 1.965 7.573 ( 0.000 -6.711 -0.113) 6.712 7.577 ( 0.000 -7.523 -0.871) 7.574 7.966 ( 0.000 9.678 -0.863) 9.716 7.988 ( 0.000 7.917 -0.752) 7.953 8.099 ( 0.000 -2.793 -0.378) 2.819 8.118 ( 0.000 -4.828 -2.188) 5.301 8.413 ( 0.000 -0.468 5.030) 5.052 8.435 ( 0.000 -2.180 3.876) 4.447 8.558 ( 0.000 1.382 2.358) 2.733 8.558 ( 0.000 2.827 4.483) 5.300 8.633 ( 0.000 1.257 1.411) 1.889 8.696 ( 0.000 -3.489 1.997) 4.020 8.742 ( 0.000 2.225 -1.710) 2.807 8.801 ( 0.000 -4.316 -0.610) 4.359 9.078 ( 0.000 9.170 2.330) 9.462 9.149 ( 0.000 0.427 0.730) 0.845 9.180 ( 0.000 -0.678 -0.126) 0.690 9.236 ( 0.000 -4.804 3.539) 5.967 9.337 ( 0.000 4.026 3.227) 5.160 9.421 ( 0.000 -4.841 1.170) 4.981 9.451 ( 0.000 1.596 -1.491) 2.184 9.486 ( 0.000 -1.810 -1.581) 2.403 9.586 ( 0.000 0.864 -8.760) 8.802 9.595 ( 0.000 -1.506 -6.026) 6.211 9.689 ( 0.000 0.661 -1.448) 1.592 9.734 ( 0.000 -3.013 -9.514) 9.980 10.245 ( 0.000 7.405 5.288) 9.099 10.392 ( 0.000 -2.575 0.943) 2.742 10.471 ( 0.000 -5.829 2.892) 6.507 10.492 ( 0.000 -2.058 3.415) 3.987 10.592 ( 0.000 3.786 2.709) 4.655 10.670 ( 0.000 -3.614 -0.352) 3.631 10.924 ( 0.000 10.593 -7.193) 12.804 11.088 ( 0.000 -6.569 -12.093) 13.762 12.175 ( 0.000 8.606 1.019) 8.666 12.351 ( 0.000 -7.545 -7.255) 10.467 12.581 ( 0.000 -0.131 0.042) 0.138 12.633 ( 0.000 -3.764 -4.225) 5.658 12.890 ( 0.000 3.291 0.490) 3.328 12.932 ( 0.000 -1.055 -2.255) 2.490 13.051 ( 0.000 0.917 -0.736) 1.176 13.081 ( 0.000 -1.985 -3.648) 4.153 13.209 ( 0.000 3.344 -9.039) 9.637 13.269 ( 0.000 -2.297 -10.634) 10.879 13.462 ( 0.000 -0.607 -5.258) 5.293 13.467 ( 0.000 -1.682 -6.546) 6.758 13.796 ( 0.000 6.583 -0.630) 6.613 13.910 ( 0.000 -4.904 -0.244) 4.910 13.990 ( 0.000 8.530 -7.623) 11.440 14.143 ( 0.000 -6.594 -7.830) 10.237 14.863 ( 0.000 4.624 6.380) 7.879 14.961 ( 0.000 -5.105 4.892) 7.070 15.214 ( 0.000 4.429 -8.776) 9.830 15.294 ( 0.000 -3.579 -8.796) 9.496 15.588 ( 0.000 0.389 -2.576) 2.605 15.589 ( 0.000 0.208 -2.677) 2.685 16.307 ( 0.000 0.585 6.546) 6.572 16.325 ( 0.000 -1.213 6.223) 6.340 16.514 ( 0.000 1.276 3.202) 3.447 16.538 ( 0.000 -1.142 1.395) 1.803 16.842 ( 0.000 1.996 1.345) 2.406 16.892 ( 0.000 -2.962 -0.461) 2.998 17.446 ( 0.000 2.107 10.393) 10.604 17.479 ( 0.000 -0.634 9.537) 9.558 17.587 ( 0.000 1.983 9.526) 9.731 17.640 ( 0.000 -2.834 7.803) 8.302 23.769 ( 0.000 6.991 -0.024) 6.991 23.842 ( 0.000 1.764 -2.953) 3.440 23.999 ( 0.000 -5.187 -0.600) 5.222 24.015 ( 0.000 -4.882 -0.498) 4.907 24.823 ( 0.000 0.504 5.039) 5.064 24.828 ( 0.000 -0.009 5.127) 5.127 24.977 ( 0.000 0.370 1.716) 1.756 24.989 ( 0.000 -0.829 1.354) 1.588 25.023 ( 0.000 1.891 0.768) 2.041 25.043 ( 0.000 -0.136 -0.456) 0.475 25.152 ( 0.000 0.495 -3.598) 3.632 25.164 ( 0.000 -0.528 -2.584) 2.637 25.230 ( 0.000 1.953 -4.595) 4.993 25.251 ( 0.000 1.183 -3.503) 3.698 25.333 ( 0.000 -0.135 -0.207) 0.247 25.374 ( 0.000 -3.060 -2.284) 3.818 27.046 ( 0.000 2.332 0.254) 2.346 27.090 ( 0.000 -0.957 0.800) 1.247 27.137 ( 0.000 -1.622 -1.955) 2.540 27.149 ( 0.000 -1.320 -1.267) 1.830 27.305 ( 0.000 5.339 0.249) 5.345 27.400 ( 0.000 -4.528 -2.850) 5.350 27.813 ( 0.000 2.663 -4.803) 5.492 27.858 ( 0.000 -1.838 -5.405) 5.709 28.573 ( 0.000 0.394 -3.438) 3.461 28.583 ( 0.000 -0.648 -3.586) 3.644 28.644 ( 0.000 0.366 -7.996) 8.005 28.649 ( 0.000 -0.211 -7.823) 7.826 30.326 ( 0.000 5.847 14.847) 15.957 30.447 ( 0.000 -5.997 8.654) 10.529 30.908 ( 0.000 2.352 3.493) 4.211 30.958 ( 0.000 -2.468 1.688) 2.991 ======================= Grid point 71 (30/40) ======================= q-point: ( 0.14 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.495 12.608 19.218) 23.034 1.881 ( 12.000 2.707 8.793) 15.121 1.897 ( 10.810 -1.012 9.067) 14.145 2.059 ( 0.279 -8.904 8.706) 12.456 2.118 ( 2.950 0.057 14.825) 15.115 2.173 ( 6.627 -5.628 15.519) 17.789 2.289 ( -2.348 3.319 7.278) 8.336 2.358 ( 0.441 -3.231 2.534) 4.130 2.601 ( -4.577 8.951 -6.884) 12.184 2.722 ( -1.016 -1.397 -4.709) 5.015 2.807 ( -0.138 0.067 -0.858) 0.872 2.838 ( 0.646 -1.519 -1.460) 2.204 2.957 ( 3.456 5.145 -1.444) 6.364 2.981 ( 1.690 -0.844 -1.656) 2.512 3.078 ( -1.835 1.236 4.500) 5.014 3.113 ( 4.117 1.859 -0.178) 4.520 3.183 ( -5.177 0.023 -3.077) 6.022 3.238 ( -2.405 -2.442 -1.644) 3.801 3.314 ( -4.954 1.991 0.281) 5.347 3.395 ( 1.392 -2.673 2.229) 3.748 3.482 ( -4.620 -4.898 7.834) 10.330 3.515 ( 3.649 -7.540 12.462) 15.015 3.639 ( -1.585 -0.333 -0.078) 1.621 3.648 ( -2.977 -0.570 0.082) 3.032 3.765 ( -2.325 3.392 -0.397) 4.132 3.808 ( 2.165 0.688 -0.553) 2.338 3.842 ( -6.517 3.085 -0.169) 7.212 3.906 ( -4.820 -2.967 -1.116) 5.769 4.096 ( 0.106 5.912 6.088) 8.487 4.181 ( 0.162 -2.637 5.089) 5.734 4.337 ( -1.072 -0.162 5.417) 5.524 4.367 ( -0.135 -3.172 4.865) 5.810 4.454 ( 1.466 4.189 2.888) 5.295 4.511 ( 3.419 2.048 6.077) 7.267 4.521 ( 3.156 -1.596 2.074) 4.100 4.569 ( 5.345 -3.578 9.740) 11.672 4.714 ( 6.633 0.668 3.018) 7.317 4.828 ( 6.739 -8.263 1.945) 10.839 5.057 ( -3.830 3.054 4.584) 6.709 5.090 ( -1.566 1.435 7.759) 8.044 5.144 ( 2.860 3.161 1.601) 4.554 5.244 ( 1.090 4.911 8.846) 10.176 5.250 ( -1.681 -4.356 1.402) 4.875 5.324 ( -2.098 -3.031 2.331) 4.361 5.340 ( -2.263 4.667 6.492) 8.309 5.428 ( 2.821 -4.928 7.276) 9.229 5.577 ( -3.511 5.667 -4.078) 7.815 5.681 ( -4.771 -4.779 -3.233) 7.487 5.760 ( 2.047 2.805 0.934) 3.596 5.816 ( 1.359 -2.642 -0.107) 2.973 5.874 ( 1.042 3.541 -0.964) 3.815 5.912 ( 4.100 0.767 -1.366) 4.389 5.962 ( 3.629 -0.577 -4.156) 5.548 5.981 ( 4.840 -1.340 -5.329) 7.322 6.123 ( 0.210 -0.942 1.193) 1.535 6.154 ( 0.918 -3.469 -0.001) 3.588 6.336 ( 2.544 6.524 2.898) 7.578 6.379 ( 4.687 4.727 -1.344) 6.791 6.491 ( 2.017 -1.350 7.386) 7.775 6.538 ( 4.397 -4.077 3.291) 6.840 6.690 ( 0.706 0.069 -1.116) 1.323 6.696 ( 0.201 -0.230 -1.113) 1.154 7.054 ( -3.603 0.384 3.426) 4.986 7.089 ( -2.117 -2.934 1.672) 3.985 7.159 ( 1.544 1.690 -1.306) 2.635 7.181 ( 4.521 -0.389 -0.593) 4.577 7.229 ( 5.051 1.091 -0.772) 5.225 7.255 ( 5.593 0.058 1.805) 5.877 7.308 ( 2.551 2.764 -0.089) 3.762 7.355 ( 5.181 0.587 -1.726) 5.492 7.577 ( 1.256 -4.327 -0.324) 4.517 7.608 ( 1.700 -7.694 -0.322) 7.887 7.924 ( -2.805 8.282 -0.231) 8.747 8.002 ( -1.233 4.832 -2.527) 5.591 8.075 ( -0.450 -2.719 1.767) 3.273 8.083 ( -2.731 -4.592 -0.284) 5.350 8.439 ( -1.802 3.305 3.189) 4.933 8.485 ( 2.930 -0.318 2.447) 3.831 8.500 ( 0.619 1.590 4.051) 4.395 8.528 ( -2.682 -1.736 3.598) 4.812 8.643 ( 0.576 1.586 1.392) 2.188 8.689 ( -1.645 -2.482 1.027) 3.150 8.733 ( 0.034 1.024 -1.713) 1.996 8.759 ( -2.701 -1.992 -1.628) 3.730 8.960 ( -8.691 9.145 1.008) 12.656 9.112 ( -4.630 -5.912 0.448) 7.522 9.227 ( 3.092 1.302 0.488) 3.391 9.258 ( -0.905 0.193 -0.672) 1.144 9.284 ( -0.842 1.183 2.933) 3.273 9.339 ( -6.313 -4.825 -0.896) 7.996 9.446 ( -6.825 2.035 -3.565) 7.964 9.480 ( -3.604 -1.282 -2.960) 4.837 9.529 ( 1.027 -0.203 0.255) 1.077 9.559 ( 3.801 -2.510 -1.318) 4.742 9.717 ( 1.130 3.676 -1.866) 4.274 9.795 ( 0.176 -4.159 -6.270) 7.526 10.206 ( -4.789 6.501 4.102) 9.057 10.307 ( -7.914 0.374 1.443) 8.053 10.371 ( -9.190 -1.988 3.259) 9.951 10.448 ( -4.262 -7.075 -1.439) 8.384 10.520 ( -5.868 4.406 2.228) 7.669 10.612 ( -3.966 -4.033 -1.408) 5.829 10.914 ( -1.584 9.831 -6.449) 11.864 11.072 ( -2.122 -6.453 -11.323) 13.204 12.232 ( 5.656 6.948 0.907) 9.004 12.381 ( 3.307 -7.649 -3.785) 9.152 12.579 ( 2.151 3.636 -3.598) 5.549 12.658 ( 3.157 -3.953 -6.231) 8.026 12.923 ( 3.472 3.726 0.761) 5.150 12.977 ( 4.021 -0.908 -2.624) 4.886 13.090 ( 1.796 -1.647 -3.194) 4.018 13.109 ( -0.004 -2.470 -7.046) 7.467 13.206 ( -0.183 3.739 -5.456) 6.617 13.278 ( 0.586 -2.726 -8.374) 8.826 13.442 ( -1.664 1.414 -7.457) 7.770 13.492 ( 1.676 -3.107 -8.189) 8.918 13.789 ( -0.563 6.907 0.404) 6.942 13.911 ( 0.220 -5.020 1.013) 5.126 13.979 ( -0.905 7.899 -6.772) 10.444 14.132 ( -1.104 -6.865 -6.851) 9.762 14.895 ( 2.904 6.326 5.548) 8.901 15.028 ( 5.303 -7.087 2.716) 9.259 15.242 ( 3.226 6.014 -6.557) 9.464 15.354 ( 5.266 -5.417 -7.811) 10.867 15.585 ( 0.265 1.247 -2.095) 2.453 15.596 ( 1.301 0.267 -2.589) 2.910 16.366 ( 5.433 0.711 6.509) 8.508 16.380 ( 5.191 -0.740 6.350) 8.235 16.524 ( 0.324 1.330 2.682) 3.011 16.554 ( 1.109 -1.543 1.168) 2.231 16.817 ( -2.122 2.472 2.246) 3.957 16.879 ( -1.221 -3.623 0.127) 3.825 17.391 ( -4.908 2.705 10.741) 12.115 17.434 ( -4.101 -0.682 9.469) 10.342 17.532 ( -4.947 1.883 9.806) 11.143 17.591 ( -4.582 -3.167 7.857) 9.631 23.782 ( 1.210 6.833 0.093) 6.940 23.849 ( 0.632 2.312 -2.568) 3.512 23.997 ( -0.212 -5.508 -0.491) 5.534 24.012 ( -0.242 -5.052 -0.481) 5.080 24.834 ( 1.191 0.624 3.594) 3.837 24.842 ( 1.145 -0.155 4.488) 4.635 24.981 ( 0.382 0.973 0.465) 1.144 25.002 ( 1.035 -1.029 0.778) 1.654 25.040 ( 1.550 1.659 -0.899) 2.442 25.063 ( 1.686 -0.397 -1.269) 2.147 25.153 ( 0.049 0.361 -3.050) 3.072 25.168 ( 0.607 -0.680 -2.708) 2.857 25.230 ( -0.067 2.180 -3.732) 4.323 25.256 ( 0.403 1.349 -3.233) 3.526 25.325 ( -0.705 0.126 -0.194) 0.743 25.376 ( 0.112 -3.371 -2.749) 4.351 27.054 ( 0.856 2.391 0.921) 2.702 27.104 ( 1.268 -2.258 0.937) 2.754 27.162 ( 2.756 0.535 -2.514) 3.769 27.189 ( 3.242 -1.545 -1.973) 4.098 27.304 ( 0.160 4.518 -0.194) 4.525 27.393 ( -0.812 -4.523 -2.847) 5.406 27.776 ( -3.471 3.380 -4.532) 6.634 27.834 ( -2.472 -2.392 -6.206) 7.095 28.582 ( 1.653 0.434 -1.922) 2.572 28.592 ( 1.792 -0.616 -1.842) 2.643 28.703 ( 4.660 0.515 -7.522) 8.864 28.713 ( 4.956 -0.470 -7.412) 8.928 30.265 ( -5.465 5.735 14.193) 16.255 30.384 ( -5.787 -5.921 8.477) 11.849 30.774 ( -12.076 3.146 4.597) 13.299 30.837 ( -11.069 -3.039 2.089) 11.667 ======================= Grid point 72 (31/40) ======================= q-point: ( 0.29 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.328 8.698 17.927) 19.928 1.909 ( -5.548 -5.145 16.291) 17.963 2.108 ( 6.539 2.810 12.975) 14.799 2.205 ( 3.426 -6.590 0.576) 7.449 2.280 ( 15.572 1.839 2.544) 15.885 2.307 ( 12.723 0.565 1.487) 12.822 2.382 ( 4.996 1.230 2.444) 5.696 2.415 ( 5.183 -0.137 2.909) 5.946 2.503 ( -4.280 8.367 -0.394) 9.406 2.655 ( -2.597 -7.982 2.732) 8.828 2.807 ( -2.349 1.777 -5.054) 5.850 2.832 ( -5.510 -1.882 -1.328) 5.972 2.911 ( -0.793 0.128 3.404) 3.497 2.969 ( -2.600 -3.180 1.374) 4.331 3.040 ( 1.531 7.386 -2.410) 7.919 3.112 ( -0.870 -0.105 0.311) 0.930 3.178 ( 0.063 3.476 -2.256) 4.145 3.217 ( -0.935 4.401 -4.740) 6.536 3.249 ( -0.435 -1.970 3.081) 3.683 3.340 ( -7.079 -5.430 2.580) 9.288 3.447 ( -2.089 0.925 -0.152) 2.290 3.510 ( -7.043 -0.369 2.548) 7.499 3.531 ( -2.708 -4.282 0.602) 5.102 3.569 ( -4.219 -3.979 0.541) 5.825 3.752 ( -2.093 3.338 2.892) 4.888 3.761 ( 2.288 -0.439 3.915) 4.556 3.847 ( 1.726 0.289 1.655) 2.408 3.896 ( 1.668 -3.629 3.003) 4.997 4.115 ( 1.067 6.925 6.946) 9.866 4.191 ( 0.315 -2.430 5.631) 6.141 4.280 ( -3.736 -0.935 2.125) 4.398 4.332 ( -2.557 -5.040 0.514) 5.675 4.559 ( 7.721 1.779 4.033) 8.890 4.582 ( 6.704 0.264 2.273) 7.084 4.668 ( 7.575 0.657 9.738) 12.354 4.720 ( 8.175 -2.628 10.623) 13.660 4.818 ( 3.858 2.947 4.366) 6.529 4.937 ( 3.803 -5.721 4.902) 8.439 5.003 ( -0.329 3.095 4.014) 5.079 5.078 ( 0.762 -2.661 6.102) 6.701 5.178 ( -2.309 2.676 -1.327) 3.776 5.224 ( -0.841 -1.108 -1.303) 1.906 5.268 ( -0.573 4.371 7.685) 8.860 5.281 ( -0.458 1.466 9.692) 9.813 5.307 ( 0.030 5.702 5.206) 7.721 5.454 ( 0.386 -7.530 5.554) 9.364 5.499 ( -3.622 3.164 -0.128) 4.811 5.585 ( -3.746 -5.139 -0.597) 6.387 5.825 ( 3.620 1.941 -0.466) 4.133 5.844 ( 1.434 0.564 -0.457) 1.607 5.923 ( 2.610 0.631 0.196) 2.693 5.967 ( 1.316 -3.075 -1.167) 3.543 6.061 ( 4.202 2.394 -1.648) 5.109 6.117 ( 7.148 3.584 -2.152) 8.281 6.130 ( 2.498 -3.442 -0.670) 4.305 6.197 ( 4.893 -3.332 -1.609) 6.134 6.406 ( 3.204 4.889 5.660) 8.137 6.495 ( 5.154 -0.087 2.224) 5.614 6.518 ( 0.786 3.698 3.753) 5.327 6.624 ( 3.633 -3.808 1.191) 5.396 6.677 ( -2.011 1.158 -1.087) 2.562 6.688 ( -1.295 -0.676 -0.100) 1.464 6.976 ( -3.912 -0.678 3.423) 5.242 7.030 ( -3.745 -6.095 1.993) 7.426 7.195 ( 2.161 4.641 2.481) 5.689 7.261 ( 3.178 -1.448 0.993) 3.630 7.322 ( 1.156 5.283 3.966) 6.706 7.385 ( 3.680 -0.978 1.581) 4.123 7.397 ( 9.544 3.758 -1.097) 10.315 7.507 ( 8.758 -5.151 -3.456) 10.732 7.621 ( 2.882 -1.161 -0.283) 3.120 7.641 ( 1.875 -4.390 0.716) 4.827 7.862 ( -2.555 4.843 0.848) 5.540 7.954 ( -2.463 -4.194 0.293) 4.872 8.031 ( -2.490 -0.162 2.117) 3.273 8.061 ( -2.014 -1.794 1.800) 3.243 8.349 ( -4.868 7.873 3.863) 10.031 8.421 ( -4.353 5.637 1.949) 7.384 8.523 ( -1.861 -3.466 5.203) 6.523 8.596 ( 2.133 -5.074 1.885) 5.818 8.657 ( 1.896 0.605 0.013) 1.990 8.679 ( 3.178 -1.478 -1.737) 3.911 8.729 ( -0.039 1.208 -0.148) 1.218 8.742 ( 0.926 0.107 -1.131) 1.466 8.844 ( 0.633 7.865 -3.510) 8.635 8.990 ( -5.683 -6.503 -6.058) 10.549 9.161 ( -4.592 1.515 0.082) 4.836 9.218 ( -2.799 -4.530 -1.307) 5.483 9.290 ( -4.755 2.566 1.301) 5.558 9.316 ( -0.233 1.171 2.697) 2.949 9.327 ( -2.709 1.701 -1.373) 3.481 9.367 ( -7.763 -3.853 0.346) 8.673 9.540 ( -0.195 2.616 0.020) 2.623 9.574 ( -2.685 -1.374 -1.675) 3.450 9.708 ( -1.752 0.244 -0.125) 1.774 9.751 ( -2.874 -2.922 -1.788) 4.471 10.042 ( -9.386 4.489 3.040) 10.839 10.132 ( -7.545 0.342 1.251) 7.656 10.158 ( -10.155 -0.061 1.100) 10.215 10.309 ( -8.131 -10.354 -3.685) 13.671 10.444 ( -0.143 8.688 0.305) 8.694 10.570 ( 0.302 -3.358 -4.135) 5.335 10.840 ( -5.604 7.875 -4.400) 10.620 10.986 ( -6.338 -6.338 -9.490) 13.054 12.399 ( 10.151 4.681 -0.912) 11.216 12.504 ( 8.596 -5.953 -2.610) 10.777 12.688 ( 7.410 4.736 -7.507) 11.562 12.774 ( 7.504 -4.111 -8.961) 12.390 12.983 ( 0.011 4.050 -4.412) 5.989 13.045 ( -4.336 1.004 -8.630) 9.710 13.070 ( 4.691 -0.224 -2.513) 5.326 13.125 ( 1.450 -4.579 -5.401) 7.227 13.187 ( -1.491 1.364 -2.297) 3.060 13.261 ( -2.289 -5.101 -0.992) 5.678 13.401 ( -2.594 5.334 -10.734) 12.263 13.490 ( -2.627 -3.952 -10.825) 11.820 13.785 ( 0.580 8.026 1.601) 8.204 13.915 ( -0.590 1.688 -2.012) 2.692 13.966 ( 0.343 -1.021 -1.320) 1.704 14.098 ( -2.149 -7.427 -4.776) 9.088 14.971 ( 4.336 9.029 3.515) 10.615 15.110 ( 2.360 -1.745 -2.042) 3.575 15.327 ( 2.729 -2.887 -0.983) 4.093 15.424 ( -0.211 -9.188 -4.098) 10.062 15.667 ( 9.426 5.726 -1.143) 11.088 15.709 ( 11.283 1.544 -3.038) 11.787 16.471 ( -4.107 0.464 2.875) 5.035 16.488 ( 1.318 -1.146 4.097) 4.454 16.526 ( 6.110 1.829 4.671) 7.905 16.556 ( 2.038 -0.778 1.674) 2.750 16.788 ( 0.202 2.032 5.355) 5.731 16.854 ( -0.815 -4.408 2.852) 5.313 17.273 ( -5.891 4.490 10.743) 13.049 17.331 ( -5.539 1.265 8.449) 10.181 17.411 ( -6.027 -0.387 10.260) 11.906 17.473 ( -6.397 -4.033 7.988) 11.000 23.814 ( 1.774 6.534 0.242) 6.775 23.863 ( 0.589 3.886 -1.584) 4.238 23.992 ( -0.217 -6.373 -0.443) 6.392 24.006 ( -0.420 -5.595 -0.518) 5.635 24.870 ( 2.029 0.441 2.031) 2.904 24.875 ( 2.338 -0.041 1.862) 2.989 24.983 ( -0.444 1.663 -1.785) 2.480 25.020 ( 0.242 -1.859 -1.395) 2.337 25.073 ( 1.582 1.749 -2.184) 3.214 25.102 ( 2.082 -0.936 -1.959) 3.008 25.157 ( 0.397 1.539 -2.535) 2.992 25.189 ( 0.800 -1.553 -3.802) 4.184 25.227 ( 0.246 2.515 -1.338) 2.859 25.261 ( 0.081 1.070 -2.187) 2.436 25.308 ( -0.862 0.673 -0.751) 1.327 25.373 ( -0.634 -3.735 -3.777) 5.349 27.083 ( 1.997 2.733 1.728) 3.800 27.143 ( 2.555 -3.362 1.004) 4.340 27.218 ( 0.554 3.026 -0.790) 3.176 27.256 ( 3.719 0.218 -2.714) 4.609 27.346 ( 4.639 -0.655 -3.989) 6.153 27.369 ( -0.930 -3.163 -2.813) 4.334 27.678 ( -5.950 4.561 -4.347) 8.666 27.755 ( -5.245 -3.181 -7.340) 9.565 28.650 ( 4.823 0.709 0.869) 4.951 28.667 ( 5.245 -0.938 1.099) 5.441 28.797 ( 3.825 0.836 -5.176) 6.489 28.815 ( 4.287 -0.909 -5.206) 6.805 30.139 ( -5.738 5.262 11.750) 14.095 30.242 ( -7.017 -4.722 7.685) 11.428 30.482 ( -14.857 3.501 5.397) 16.190 30.558 ( -14.860 -3.768 2.676) 15.562 ======================= Grid point 73 (32/40) ======================= q-point: ( 0.43 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 5.675 5.249 7.865) 11.028 1.903 ( 5.636 -4.143 9.279) 11.620 2.039 ( -14.421 2.430 -2.402) 14.820 2.091 ( -9.800 -2.577 1.025) 10.185 2.388 ( 5.823 7.868 7.980) 12.629 2.454 ( 1.638 1.550 5.359) 5.814 2.538 ( 1.648 -0.482 1.587) 2.338 2.548 ( 2.569 -3.160 2.939) 5.022 2.672 ( 13.724 -1.078 1.531) 13.851 2.711 ( 6.512 0.183 -0.051) 6.515 2.765 ( 3.901 -3.017 0.097) 4.932 2.814 ( 5.841 -4.404 -1.829) 7.541 2.946 ( 0.808 2.664 0.335) 2.804 2.958 ( -1.956 1.573 0.473) 2.555 3.004 ( -4.100 3.904 2.391) 6.146 3.070 ( -6.067 -2.188 1.046) 6.534 3.128 ( -2.622 4.714 -1.641) 5.639 3.160 ( -5.250 2.326 1.030) 5.834 3.188 ( -3.437 1.184 0.107) 3.637 3.216 ( -3.856 1.149 0.398) 4.043 3.384 ( 1.380 -0.314 0.730) 1.592 3.430 ( -1.099 -2.819 -1.535) 3.392 3.472 ( -3.009 -5.138 2.142) 6.327 3.492 ( -3.596 -5.053 1.559) 6.395 3.773 ( 3.422 5.924 3.073) 7.500 3.811 ( 1.390 2.047 1.321) 2.805 3.871 ( 0.419 -0.771 1.358) 1.617 3.897 ( -1.689 -3.328 2.030) 4.248 4.142 ( 2.277 2.478 4.505) 5.623 4.199 ( -0.315 -3.171 1.442) 3.498 4.211 ( -1.528 -1.220 2.819) 3.431 4.266 ( -3.759 -5.595 0.241) 6.745 4.710 ( 6.397 0.492 10.406) 12.224 4.738 ( 6.120 -0.402 6.809) 9.164 4.775 ( 2.030 -0.125 9.996) 10.201 4.813 ( -0.157 -2.927 7.692) 8.231 4.922 ( 6.356 6.199 7.260) 11.469 5.004 ( 2.984 0.614 2.696) 4.068 5.045 ( 1.969 1.000 3.053) 3.768 5.071 ( -5.844 1.499 2.270) 6.446 5.130 ( 3.641 0.904 8.150) 8.972 5.189 ( -1.556 -0.720 1.400) 2.213 5.217 ( -2.261 0.914 9.915) 10.211 5.260 ( -2.938 -0.691 4.299) 5.252 5.360 ( 3.763 4.776 3.445) 6.989 5.432 ( -3.093 3.925 1.390) 5.187 5.474 ( 1.763 -6.317 2.209) 6.920 5.525 ( -2.743 -5.024 0.881) 5.792 5.878 ( 1.822 1.476 0.118) 2.347 5.885 ( 1.923 0.701 -0.431) 2.092 5.936 ( -0.860 -1.042 -0.190) 1.364 5.950 ( -2.047 -2.170 -0.159) 2.988 6.163 ( 5.694 2.785 1.892) 6.615 6.209 ( 3.802 1.921 0.868) 4.347 6.250 ( 4.474 -2.350 0.844) 5.124 6.322 ( 2.605 -5.819 -0.791) 6.424 6.431 ( 1.706 5.025 3.194) 6.194 6.504 ( 0.709 1.070 2.178) 2.528 6.544 ( -3.262 2.073 -0.521) 3.900 6.595 ( -4.980 0.389 -0.767) 5.053 6.709 ( 4.983 1.994 0.768) 5.421 6.726 ( 5.110 1.158 0.687) 5.284 6.891 ( -3.745 -4.544 2.490) 6.393 6.932 ( -5.756 -7.383 1.566) 9.492 7.241 ( 2.348 6.510 3.901) 7.944 7.289 ( -1.658 6.716 2.769) 7.452 7.339 ( 2.362 -2.316 1.568) 3.661 7.392 ( -2.003 -2.506 0.169) 3.213 7.598 ( 8.154 0.493 3.288) 8.806 7.646 ( 3.873 -4.256 0.730) 5.800 7.669 ( 0.928 -0.371 0.477) 1.107 7.685 ( 0.614 -1.783 2.012) 2.757 7.865 ( 3.790 2.631 2.571) 5.282 7.929 ( 0.688 -4.587 2.261) 5.160 7.963 ( -4.186 0.130 3.122) 5.224 7.993 ( -4.357 -2.104 2.518) 5.454 8.282 ( -0.635 10.704 2.754) 11.071 8.331 ( -4.505 10.817 1.644) 11.832 8.472 ( -0.176 -8.005 3.835) 8.878 8.532 ( -5.004 -9.085 2.464) 10.660 8.750 ( 4.726 2.739 -1.403) 5.640 8.775 ( 4.110 1.718 -1.504) 4.702 8.812 ( 5.477 -1.088 -0.872) 5.651 8.825 ( 7.285 -0.851 -1.554) 7.497 8.918 ( 3.565 1.518 -4.017) 5.581 8.940 ( 2.029 -0.432 -5.570) 5.943 9.065 ( -6.186 3.685 0.586) 7.224 9.087 ( -9.483 -0.010 0.181) 9.484 9.125 ( -9.500 0.728 0.625) 9.548 9.181 ( -8.031 5.001 -2.248) 9.724 9.248 ( 0.155 -8.746 0.484) 8.760 9.299 ( -3.085 -5.606 -1.537) 6.580 9.549 ( 1.521 3.909 -0.126) 4.196 9.568 ( 1.490 5.086 -0.525) 5.326 9.660 ( -1.529 -2.273 0.987) 2.912 9.694 ( -3.191 -3.455 -0.086) 4.704 9.912 ( -1.835 6.772 1.104) 7.102 9.970 ( -6.588 7.627 -1.217) 10.151 10.074 ( 0.911 -10.148 1.011) 10.239 10.157 ( -6.405 -11.682 -2.386) 13.534 10.512 ( 6.076 10.318 -1.908) 12.125 10.615 ( 0.877 5.690 -6.406) 8.613 10.721 ( -2.593 -1.334 -2.544) 3.870 10.829 ( -8.318 -6.562 -7.205) 12.812 12.619 ( 10.659 3.691 -4.304) 12.073 12.700 ( 9.277 -4.041 -6.398) 11.972 12.793 ( -1.681 2.131 -7.287) 7.776 12.862 ( -3.005 -4.245 -8.887) 10.297 12.945 ( 1.714 4.500 -5.584) 7.373 13.005 ( 2.786 0.673 -7.395) 7.931 13.072 ( -4.194 -0.641 -4.716) 6.343 13.129 ( -4.081 -4.252 -6.763) 8.970 13.203 ( 5.593 3.191 -2.277) 6.829 13.276 ( 4.403 -4.065 -1.213) 6.114 13.322 ( -5.034 3.808 -8.285) 10.416 13.394 ( -6.026 -3.497 -7.761) 10.430 13.819 ( 2.597 8.858 -0.228) 9.233 13.877 ( -2.688 8.411 -3.049) 9.342 13.998 ( 2.283 -8.569 -0.192) 8.870 14.049 ( -2.561 -8.281 -2.583) 9.044 15.064 ( 4.461 11.070 1.119) 11.987 15.127 ( -1.084 9.187 -1.811) 9.426 15.340 ( 0.414 -13.042 0.183) 13.050 15.380 ( -2.969 -12.362 -1.552) 12.808 15.938 ( 14.589 8.333 0.140) 16.801 15.988 ( 13.295 3.977 -2.141) 14.041 16.291 ( -10.893 -1.360 1.012) 11.025 16.331 ( -11.474 -4.575 -0.907) 12.386 16.672 ( 6.112 3.219 6.050) 9.183 16.686 ( 5.610 2.802 5.551) 8.375 16.803 ( 0.282 -2.814 6.336) 6.938 16.833 ( -1.932 -4.883 5.214) 7.400 17.188 ( -1.536 7.147 9.711) 12.155 17.223 ( -4.402 6.824 8.205) 11.545 17.326 ( -1.550 -5.511 9.608) 11.184 17.357 ( -4.233 -5.469 8.393) 10.875 23.848 ( 1.410 6.303 0.158) 6.461 23.867 ( -0.333 5.631 -0.460) 5.659 23.990 ( 0.112 -7.032 -0.621) 7.060 23.996 ( -0.429 -6.489 -0.641) 6.535 24.913 ( 2.152 1.164 0.314) 2.467 24.930 ( 2.350 0.193 -0.757) 2.477 24.963 ( -0.974 0.286 -1.984) 2.229 24.997 ( -2.280 -2.461 -2.791) 4.364 25.112 ( 2.153 2.687 -1.348) 3.698 25.141 ( 0.828 0.446 -1.307) 1.610 25.158 ( -0.080 1.441 -3.091) 3.411 25.179 ( -1.065 -0.584 -2.936) 3.177 25.254 ( 1.165 0.974 -1.609) 2.212 25.265 ( 0.224 2.621 -2.362) 3.535 25.300 ( 0.874 -1.882 -1.731) 2.702 25.343 ( -2.222 -3.432 -3.742) 5.543 27.132 ( 2.677 3.354 2.077) 4.768 27.183 ( -1.569 3.135 2.297) 4.191 27.213 ( 2.658 -3.917 -0.829) 4.805 27.277 ( -2.472 -5.370 -1.839) 6.191 27.410 ( 5.758 4.227 -4.094) 8.233 27.479 ( 7.221 -2.843 -6.787) 10.309 27.545 ( -6.831 5.042 -4.396) 9.561 27.628 ( -6.980 -3.425 -7.619) 10.885 28.759 ( 5.186 1.087 1.823) 5.603 28.784 ( 5.503 -1.392 1.939) 5.998 28.830 ( -1.075 1.159 -0.854) 1.797 28.856 ( -0.825 -1.422 -0.938) 1.893 30.080 ( 0.881 5.064 7.367) 8.983 30.145 ( -2.586 1.201 4.838) 5.615 30.232 ( -7.281 -1.240 6.052) 9.548 30.290 ( -9.985 -4.423 3.774) 11.554 ======================= Grid point 84 (33/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 0.000 -0.278) 0.278 1.791 ( 0.000 0.000 0.278) 0.278 2.075 ( 0.000 0.000 -21.723) 21.723 2.075 ( 0.000 0.000 21.723) 21.723 2.399 ( 0.000 0.000 -3.064) 3.064 2.399 ( 0.000 0.000 3.064) 3.064 2.449 ( 0.000 0.000 -5.325) 5.325 2.449 ( 0.000 0.000 5.325) 5.325 2.509 ( 0.000 0.000 -13.357) 13.357 2.509 ( 0.000 0.000 13.357) 13.357 2.651 ( 0.000 0.000 -3.627) 3.627 2.651 ( 0.000 0.000 3.627) 3.627 2.956 ( 0.000 0.000 -4.956) 4.956 2.956 ( 0.000 0.000 4.956) 4.956 3.043 ( 0.000 0.000 -7.224) 7.224 3.043 ( 0.000 0.000 7.224) 7.224 3.293 ( 0.000 0.000 -5.283) 5.283 3.293 ( 0.000 0.000 5.283) 5.283 3.422 ( 0.000 0.000 -0.440) 0.440 3.422 ( 0.000 0.000 0.440) 0.440 3.640 ( 0.000 0.000 -4.053) 4.053 3.640 ( 0.000 0.000 4.053) 4.053 3.693 ( 0.000 0.000 -1.067) 1.067 3.693 ( 0.000 0.000 1.067) 1.067 3.793 ( 0.000 0.000 -4.195) 4.195 3.793 ( 0.000 0.000 4.195) 4.195 3.875 ( 0.000 0.000 -2.431) 2.431 3.875 ( 0.000 0.000 2.431) 2.431 4.208 ( 0.000 0.000 -3.851) 3.851 4.208 ( 0.000 0.000 3.851) 3.851 4.434 ( 0.000 0.000 -1.660) 1.660 4.434 ( 0.000 0.000 1.660) 1.660 4.469 ( 0.000 0.000 -2.405) 2.405 4.469 ( 0.000 0.000 2.405) 2.405 4.575 ( 0.000 0.000 -6.458) 6.458 4.575 ( 0.000 0.000 6.458) 6.458 4.776 ( 0.000 0.000 -4.126) 4.126 4.776 ( 0.000 0.000 4.126) 4.126 5.218 ( 0.000 0.000 -3.770) 3.770 5.218 ( 0.000 0.000 3.770) 3.770 5.239 ( 0.000 0.000 -4.614) 4.614 5.239 ( 0.000 0.000 4.614) 4.614 5.337 ( 0.000 0.000 -11.141) 11.141 5.337 ( 0.000 0.000 11.141) 11.141 5.359 ( 0.000 0.000 -1.214) 1.214 5.359 ( 0.000 0.000 1.214) 1.214 5.613 ( 0.000 0.000 -9.569) 9.569 5.613 ( 0.000 0.000 9.569) 9.569 5.809 ( 0.000 0.000 -6.527) 6.527 5.809 ( 0.000 0.000 6.527) 6.527 5.842 ( 0.000 0.000 -0.395) 0.395 5.842 ( 0.000 0.000 0.395) 0.395 5.869 ( 0.000 0.000 -1.225) 1.225 5.869 ( 0.000 0.000 1.225) 1.225 6.184 ( 0.000 0.000 -1.868) 1.868 6.184 ( 0.000 0.000 1.868) 1.868 6.245 ( 0.000 0.000 -1.122) 1.122 6.245 ( 0.000 0.000 1.122) 1.122 6.612 ( 0.000 0.000 -4.764) 4.764 6.612 ( 0.000 0.000 4.764) 4.764 6.612 ( 0.000 0.000 -5.739) 5.739 6.612 ( 0.000 0.000 5.739) 5.739 7.064 ( 0.000 0.000 -0.346) 0.346 7.064 ( 0.000 0.000 0.346) 0.346 7.079 ( 0.000 0.000 -1.721) 1.721 7.079 ( 0.000 0.000 1.721) 1.721 7.258 ( 0.000 0.000 -1.582) 1.582 7.258 ( 0.000 0.000 1.582) 1.582 7.279 ( 0.000 0.000 -2.747) 2.747 7.279 ( 0.000 0.000 2.747) 2.747 7.756 ( 0.000 0.000 -2.080) 2.080 7.756 ( 0.000 0.000 2.080) 2.080 7.785 ( 0.000 0.000 -3.437) 3.437 7.785 ( 0.000 0.000 3.437) 3.437 8.120 ( 0.000 0.000 -0.592) 0.592 8.120 ( 0.000 0.000 0.592) 0.592 8.533 ( 0.000 0.000 -1.359) 1.359 8.533 ( 0.000 0.000 1.359) 1.359 8.552 ( 0.000 0.000 -1.905) 1.905 8.552 ( 0.000 0.000 1.905) 1.905 8.684 ( 0.000 0.000 -3.320) 3.320 8.684 ( 0.000 0.000 3.320) 3.320 8.766 ( 0.000 0.000 -8.852) 8.852 8.766 ( 0.000 0.000 8.852) 8.852 9.142 ( 0.000 0.000 -13.892) 13.892 9.142 ( 0.000 0.000 13.892) 13.892 9.172 ( 0.000 0.000 -1.367) 1.367 9.172 ( 0.000 0.000 1.367) 1.367 9.418 ( 0.000 0.000 -5.840) 5.840 9.418 ( 0.000 0.000 5.840) 5.840 9.422 ( 0.000 0.000 -1.501) 1.501 9.422 ( 0.000 0.000 1.501) 1.501 9.507 ( 0.000 0.000 -0.946) 0.946 9.507 ( 0.000 0.000 0.946) 0.946 9.688 ( 0.000 0.000 -0.423) 0.423 9.688 ( 0.000 0.000 0.423) 0.423 10.334 ( 0.000 0.000 -7.294) 7.294 10.334 ( 0.000 0.000 7.294) 7.294 10.532 ( 0.000 0.000 -1.543) 1.543 10.532 ( 0.000 0.000 1.543) 1.543 10.641 ( 0.000 0.000 -2.895) 2.895 10.641 ( 0.000 0.000 2.895) 2.895 10.901 ( 0.000 0.000 -10.418) 10.418 10.901 ( 0.000 0.000 10.418) 10.418 12.199 ( 0.000 0.000 -7.612) 7.612 12.199 ( 0.000 0.000 7.612) 7.612 12.645 ( 0.000 0.000 -0.147) 0.147 12.645 ( 0.000 0.000 0.147) 0.147 12.882 ( 0.000 0.000 -1.634) 1.634 12.882 ( 0.000 0.000 1.634) 1.634 13.064 ( 0.000 0.000 -0.612) 0.612 13.064 ( 0.000 0.000 0.612) 0.612 13.128 ( 0.000 0.000 -4.088) 4.088 13.128 ( 0.000 0.000 4.088) 4.088 13.400 ( 0.000 0.000 -0.126) 0.126 13.400 ( 0.000 0.000 0.126) 0.126 13.778 ( 0.000 0.000 -4.655) 4.655 13.778 ( 0.000 0.000 4.655) 4.655 14.049 ( 0.000 0.000 -7.296) 7.296 14.049 ( 0.000 0.000 7.296) 7.296 14.977 ( 0.000 0.000 -8.801) 8.801 14.977 ( 0.000 0.000 8.801) 8.801 15.155 ( 0.000 0.000 -8.221) 8.221 15.155 ( 0.000 0.000 8.221) 8.221 15.556 ( 0.000 0.000 -0.091) 0.091 15.556 ( 0.000 0.000 0.091) 0.091 16.382 ( 0.000 0.000 -1.178) 1.178 16.382 ( 0.000 0.000 1.178) 1.178 16.553 ( 0.000 0.000 -0.855) 0.855 16.553 ( 0.000 0.000 0.855) 0.855 16.874 ( 0.000 0.000 -2.928) 2.928 16.874 ( 0.000 0.000 2.928) 2.928 17.541 ( 0.000 0.000 -1.400) 1.400 17.541 ( 0.000 0.000 1.400) 1.400 17.719 ( 0.000 0.000 -2.528) 2.528 17.719 ( 0.000 0.000 2.528) 2.528 23.747 ( 0.000 0.000 -3.157) 3.157 23.747 ( 0.000 0.000 3.157) 3.157 24.059 ( 0.000 0.000 -0.437) 0.437 24.059 ( 0.000 0.000 0.437) 0.437 24.889 ( 0.000 0.000 -0.681) 0.681 24.889 ( 0.000 0.000 0.681) 0.681 24.998 ( 0.000 0.000 -1.362) 1.362 24.998 ( 0.000 0.000 1.362) 1.362 25.035 ( 0.000 0.000 -0.824) 0.824 25.035 ( 0.000 0.000 0.824) 0.824 25.104 ( 0.000 0.000 -1.762) 1.762 25.104 ( 0.000 0.000 1.762) 1.762 25.168 ( 0.000 0.000 -1.558) 1.558 25.168 ( 0.000 0.000 1.558) 1.558 25.366 ( 0.000 0.000 -1.423) 1.423 25.366 ( 0.000 0.000 1.423) 1.423 27.044 ( 0.000 0.000 -2.091) 2.091 27.044 ( 0.000 0.000 2.091) 2.091 27.168 ( 0.000 0.000 -0.837) 0.837 27.168 ( 0.000 0.000 0.837) 0.837 27.336 ( 0.000 0.000 -6.341) 6.341 27.336 ( 0.000 0.000 6.341) 6.341 27.779 ( 0.000 0.000 -3.255) 3.255 27.779 ( 0.000 0.000 3.255) 3.255 28.545 ( 0.000 0.000 -1.370) 1.370 28.545 ( 0.000 0.000 1.370) 1.370 28.564 ( 0.000 0.000 -1.204) 1.204 28.564 ( 0.000 0.000 1.204) 1.204 30.491 ( 0.000 0.000 -5.801) 5.801 30.491 ( 0.000 0.000 5.801) 5.801 30.971 ( 0.000 0.000 -2.612) 2.612 30.971 ( 0.000 0.000 2.612) 2.612 ======================= Grid point 86 (34/40) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 13.134 0.000 -0.817) 13.159 1.934 ( 13.134 0.000 0.817) 13.159 2.083 ( 0.145 0.000 -21.003) 21.004 2.083 ( 0.145 0.000 21.003) 21.004 2.374 ( -6.631 0.000 -4.399) 7.957 2.374 ( -6.631 0.000 4.399) 7.957 2.426 ( 2.161 0.000 -3.961) 4.512 2.426 ( 2.161 0.000 3.961) 4.512 2.531 ( 1.107 0.000 -18.787) 18.819 2.531 ( 1.107 0.000 18.787) 18.819 2.684 ( 4.192 0.000 -3.972) 5.775 2.684 ( 4.192 0.000 3.972) 5.775 2.970 ( 0.767 0.000 -6.952) 6.994 2.970 ( 0.767 0.000 6.952) 6.994 3.052 ( 0.263 0.000 -6.181) 6.187 3.052 ( 0.263 0.000 6.181) 6.187 3.230 ( -6.549 0.000 -3.283) 7.326 3.230 ( -6.549 0.000 3.283) 7.326 3.407 ( -1.363 0.000 -3.171) 3.452 3.407 ( -1.363 0.000 3.171) 3.452 3.624 ( -6.511 0.000 -2.439) 6.953 3.624 ( -6.511 0.000 2.439) 6.953 3.681 ( 0.325 0.000 -0.154) 0.360 3.681 ( 0.325 0.000 0.154) 0.360 3.779 ( -1.421 0.000 -0.470) 1.497 3.779 ( -1.421 0.000 0.470) 1.497 3.815 ( 1.042 0.000 -4.334) 4.458 3.815 ( 1.042 0.000 4.334) 4.458 4.213 ( 0.864 0.000 -5.072) 5.145 4.213 ( 0.864 0.000 5.072) 5.145 4.413 ( -4.783 0.000 -1.514) 5.017 4.413 ( -4.783 0.000 1.514) 5.017 4.479 ( 3.249 0.000 -3.565) 4.823 4.479 ( 3.249 0.000 3.565) 4.823 4.650 ( 6.712 0.000 -4.779) 8.240 4.650 ( 6.712 0.000 4.779) 8.240 4.851 ( 5.621 0.000 -5.395) 7.791 4.851 ( 5.621 0.000 5.395) 7.791 5.187 ( -4.669 0.000 -6.891) 8.324 5.187 ( -4.669 0.000 6.891) 8.324 5.215 ( -0.011 0.000 -4.420) 4.420 5.215 ( -0.011 0.000 4.420) 4.420 5.328 ( -1.887 0.000 -5.503) 5.817 5.328 ( -1.887 0.000 5.503) 5.817 5.356 ( 1.841 0.000 -10.150) 10.316 5.356 ( 1.841 0.000 10.150) 10.316 5.629 ( 0.726 0.000 -6.552) 6.592 5.629 ( 0.726 0.000 6.552) 6.592 5.805 ( -0.006 0.000 -3.755) 3.755 5.805 ( -0.006 0.000 3.755) 3.755 5.887 ( 4.009 0.000 -3.673) 5.437 5.887 ( 4.009 0.000 3.673) 5.437 5.910 ( 4.074 0.000 -1.475) 4.333 5.910 ( 4.074 0.000 1.475) 4.333 6.213 ( -2.382 0.000 -1.422) 2.774 6.213 ( -2.382 0.000 1.422) 2.774 6.262 ( 6.576 0.000 -0.972) 6.647 6.262 ( 6.576 0.000 0.972) 6.647 6.631 ( 0.936 0.000 -4.786) 4.877 6.631 ( 0.936 0.000 4.786) 4.877 6.649 ( 2.957 0.000 -3.375) 4.488 6.649 ( 2.957 0.000 3.375) 4.488 7.108 ( 2.805 0.000 -0.493) 2.848 7.108 ( 2.805 0.000 0.493) 2.848 7.126 ( 3.553 0.000 -2.457) 4.320 7.126 ( 3.553 0.000 2.457) 4.320 7.270 ( 1.495 0.000 -3.393) 3.708 7.270 ( 1.495 0.000 3.393) 3.708 7.301 ( 3.651 0.000 -2.146) 4.236 7.301 ( 3.651 0.000 2.146) 4.236 7.728 ( -2.526 0.000 -4.425) 5.095 7.728 ( -2.526 0.000 4.425) 5.095 7.816 ( 2.970 0.000 -5.044) 5.853 7.816 ( 2.970 0.000 5.044) 5.853 8.124 ( 0.131 0.000 -1.977) 1.982 8.124 ( 0.131 0.000 1.977) 1.982 8.469 ( -5.947 0.000 -2.322) 6.385 8.469 ( -5.947 0.000 2.322) 6.385 8.587 ( 3.174 0.000 -2.197) 3.861 8.587 ( 3.174 0.000 2.197) 3.861 8.678 ( -0.191 0.000 -2.714) 2.720 8.678 ( -0.191 0.000 2.714) 2.720 8.699 ( -4.327 0.000 -4.812) 6.471 8.699 ( -4.327 0.000 4.812) 6.471 9.051 ( -8.832 0.000 -13.600) 16.216 9.051 ( -8.832 0.000 13.600) 16.216 9.210 ( 2.265 0.000 -2.705) 3.529 9.210 ( 2.265 0.000 2.705) 3.529 9.343 ( -4.044 0.000 -3.153) 5.128 9.343 ( -4.044 0.000 3.153) 5.128 9.398 ( -2.186 0.000 -2.539) 3.350 9.398 ( -2.186 0.000 2.539) 3.350 9.560 ( 3.497 0.000 -1.213) 3.702 9.560 ( 3.497 0.000 1.213) 3.702 9.728 ( 1.566 0.000 -3.632) 3.955 9.728 ( 1.566 0.000 3.632) 3.955 10.258 ( -7.468 0.000 -4.497) 8.718 10.258 ( -7.468 0.000 4.497) 8.718 10.473 ( -4.925 0.000 -4.408) 6.610 10.473 ( -4.925 0.000 4.408) 6.610 10.531 ( -9.144 0.000 -4.182) 10.055 10.531 ( -9.144 0.000 4.182) 10.055 10.903 ( -0.664 0.000 -9.428) 9.451 10.903 ( -0.664 0.000 9.428) 9.451 12.262 ( 5.814 0.000 -7.327) 9.354 12.262 ( 5.814 0.000 7.327) 9.354 12.618 ( -0.319 0.000 -3.033) 3.050 12.618 ( -0.319 0.000 3.033) 3.050 12.907 ( 1.768 0.000 -1.800) 2.523 12.907 ( 1.768 0.000 1.800) 2.523 13.119 ( 3.010 0.000 -0.236) 3.020 13.119 ( 3.010 0.000 0.236) 3.020 13.121 ( -0.342 0.000 -5.176) 5.187 13.121 ( -0.342 0.000 5.176) 5.187 13.403 ( -0.018 0.000 -3.062) 3.062 13.403 ( -0.018 0.000 3.062) 3.062 13.768 ( -0.932 0.000 -4.498) 4.593 13.768 ( -0.932 0.000 4.498) 4.593 14.064 ( 1.246 0.000 -6.441) 6.560 14.064 ( 1.246 0.000 6.441) 6.560 14.976 ( -0.018 0.000 -7.907) 7.907 14.976 ( -0.018 0.000 7.907) 7.907 15.255 ( 9.663 0.000 -7.210) 12.056 15.255 ( 9.663 0.000 7.210) 12.056 15.552 ( -0.409 0.000 -0.496) 0.643 15.552 ( -0.409 0.000 0.496) 0.643 16.435 ( 4.911 0.000 -0.976) 5.007 16.435 ( 4.911 0.000 0.976) 5.007 16.564 ( 0.276 0.000 -1.426) 1.452 16.564 ( 0.276 0.000 1.426) 1.452 16.866 ( -0.309 0.000 -3.621) 3.635 16.866 ( -0.309 0.000 3.621) 3.635 17.487 ( -5.071 0.000 -1.649) 5.333 17.487 ( -5.071 0.000 1.649) 5.333 17.673 ( -4.166 0.000 -2.567) 4.894 17.673 ( -4.166 0.000 2.567) 4.894 23.758 ( 0.925 0.000 -2.855) 3.001 23.758 ( 0.925 0.000 2.855) 3.001 24.059 ( -0.058 0.000 -0.382) 0.387 24.059 ( -0.058 0.000 0.382) 0.387 24.892 ( 0.316 0.000 -2.078) 2.102 24.892 ( 0.316 0.000 2.078) 2.102 24.984 ( -0.881 0.000 -3.396) 3.509 24.984 ( -0.881 0.000 3.396) 3.509 25.044 ( 0.771 0.000 -1.463) 1.654 25.044 ( 0.771 0.000 1.463) 1.654 25.133 ( 2.256 0.000 -1.134) 2.525 25.133 ( 2.256 0.000 1.134) 2.525 25.163 ( -0.487 0.000 -1.679) 1.748 25.163 ( -0.487 0.000 1.679) 1.748 25.362 ( -0.405 0.000 -1.710) 1.758 25.362 ( -0.405 0.000 1.710) 1.758 27.060 ( 1.538 0.000 -2.415) 2.863 27.060 ( 1.538 0.000 2.415) 2.863 27.195 ( 2.656 0.000 -1.502) 3.051 27.195 ( 2.656 0.000 1.502) 3.051 27.326 ( -1.013 0.000 -6.249) 6.331 27.326 ( -1.013 0.000 6.249) 6.331 27.746 ( -3.155 0.000 -3.650) 4.824 27.746 ( -3.155 0.000 3.650) 4.824 28.588 ( 4.039 0.000 -3.069) 5.073 28.588 ( 4.039 0.000 3.069) 5.073 28.613 ( 4.514 0.000 -3.030) 5.437 28.613 ( 4.514 0.000 3.030) 5.437 30.424 ( -6.255 0.000 -5.790) 8.523 30.424 ( -6.255 0.000 5.790) 8.523 30.852 ( -10.860 0.000 -3.217) 11.326 30.852 ( -10.860 0.000 3.217) 11.326 ======================= Grid point 88 (35/40) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -4.743 0.000 -17.178) 17.821 2.047 ( -4.743 0.000 17.178) 17.821 2.206 ( -8.416 0.000 -9.424) 12.635 2.206 ( -8.416 0.000 9.424) 12.635 2.271 ( 18.364 0.000 -1.932) 18.466 2.271 ( 18.364 0.000 1.932) 18.466 2.455 ( 0.525 0.000 -9.955) 9.969 2.455 ( 0.525 0.000 9.955) 9.969 2.560 ( 2.259 0.000 -11.223) 11.448 2.560 ( 2.259 0.000 11.223) 11.448 2.804 ( 5.759 0.000 -6.458) 8.653 2.804 ( 5.759 0.000 6.458) 8.653 2.960 ( -1.925 0.000 -3.778) 4.240 2.960 ( -1.925 0.000 3.778) 4.240 3.039 ( -1.402 0.000 -4.866) 5.064 3.039 ( -1.402 0.000 4.866) 5.064 3.109 ( -2.691 0.000 -1.771) 3.221 3.109 ( -2.691 0.000 1.771) 3.221 3.363 ( -4.078 0.000 -4.768) 6.274 3.363 ( -4.078 0.000 4.768) 6.274 3.455 ( -7.972 0.000 -3.031) 8.529 3.455 ( -7.972 0.000 3.031) 8.529 3.655 ( -0.626 0.000 -3.455) 3.511 3.655 ( -0.626 0.000 3.455) 3.511 3.742 ( -1.965 0.000 -4.460) 4.874 3.742 ( -1.965 0.000 4.460) 4.874 3.906 ( 3.349 0.000 -3.879) 5.125 3.906 ( 3.349 0.000 3.879) 5.125 4.241 ( 0.787 0.000 -6.682) 6.729 4.241 ( 0.787 0.000 6.682) 6.729 4.312 ( -3.947 0.000 -2.938) 4.920 4.312 ( -3.947 0.000 2.938) 4.920 4.597 ( 9.010 0.000 -2.535) 9.360 4.597 ( 9.010 0.000 2.535) 9.360 4.814 ( 8.249 0.000 -3.777) 9.073 4.814 ( 8.249 0.000 3.777) 9.073 4.932 ( 1.858 0.000 -5.390) 5.702 4.932 ( 1.858 0.000 5.390) 5.702 5.094 ( -3.289 0.000 -7.988) 8.639 5.094 ( -3.289 0.000 7.988) 8.639 5.221 ( 0.449 0.000 -3.235) 3.266 5.221 ( 0.449 0.000 3.235) 3.266 5.307 ( -0.088 0.000 -3.383) 3.384 5.307 ( -0.088 0.000 3.383) 3.384 5.396 ( 1.127 0.000 -6.964) 7.055 5.396 ( 1.127 0.000 6.964) 7.055 5.617 ( -1.665 0.000 -2.477) 2.984 5.617 ( -1.665 0.000 2.477) 2.984 5.822 ( 1.901 0.000 -1.465) 2.400 5.822 ( 1.901 0.000 1.465) 2.400 5.969 ( 2.439 0.000 -3.368) 4.158 5.969 ( 2.439 0.000 3.368) 4.158 6.034 ( 7.425 0.000 -1.680) 7.613 6.034 ( 7.425 0.000 1.680) 7.613 6.199 ( 2.693 0.000 -2.082) 3.404 6.199 ( 2.693 0.000 2.082) 3.404 6.401 ( 6.172 0.000 -1.140) 6.277 6.401 ( 6.172 0.000 1.140) 6.277 6.617 ( -2.701 0.000 -3.443) 4.376 6.617 ( -2.701 0.000 3.443) 4.376 6.696 ( 1.198 0.000 -1.363) 1.815 6.696 ( 1.198 0.000 1.363) 1.815 7.105 ( -3.651 0.000 -4.049) 5.452 7.105 ( -3.651 0.000 4.049) 5.452 7.177 ( 3.354 0.000 -2.366) 4.104 7.177 ( 3.354 0.000 2.366) 4.104 7.374 ( 2.633 0.000 -2.384) 3.552 7.374 ( 2.633 0.000 2.384) 3.552 7.436 ( 12.343 0.000 -5.367) 13.460 7.436 ( 12.343 0.000 5.367) 13.460 7.675 ( -1.803 0.000 -4.104) 4.483 7.675 ( -1.803 0.000 4.104) 4.483 7.895 ( 4.210 0.000 -6.996) 8.165 7.895 ( 4.210 0.000 6.996) 8.165 8.105 ( -2.160 0.000 -1.189) 2.465 8.105 ( -2.160 0.000 1.189) 2.465 8.318 ( -8.121 0.000 -2.570) 8.518 8.318 ( -8.121 0.000 2.570) 8.518 8.652 ( 2.520 0.000 -3.646) 4.432 8.652 ( 2.520 0.000 3.646) 4.432 8.688 ( 4.307 0.000 -1.964) 4.734 8.688 ( 4.307 0.000 1.964) 4.734 8.692 ( 1.623 0.000 -1.704) 2.353 8.692 ( 1.623 0.000 1.704) 2.353 8.839 ( -9.516 0.000 -10.664) 14.292 8.839 ( -9.516 0.000 10.664) 14.292 9.202 ( -4.324 0.000 -4.052) 5.926 9.202 ( -4.324 0.000 4.052) 5.926 9.295 ( -2.426 0.000 -0.477) 2.473 9.295 ( -2.426 0.000 0.477) 2.473 9.365 ( 0.144 0.000 -3.587) 3.590 9.365 ( 0.144 0.000 3.587) 3.590 9.533 ( -6.531 0.000 -3.565) 7.441 9.533 ( -6.531 0.000 3.565) 7.441 9.742 ( -0.108 0.000 -1.768) 1.771 9.742 ( -0.108 0.000 1.768) 1.771 10.055 ( -11.075 0.000 -2.376) 11.327 10.055 ( -11.075 0.000 2.376) 11.327 10.362 ( -5.516 0.000 -5.758) 7.973 10.362 ( -5.516 0.000 5.758) 7.973 10.371 ( -4.033 0.000 -5.890) 7.138 10.371 ( -4.033 0.000 5.890) 7.138 10.855 ( -4.004 0.000 -7.473) 8.478 10.855 ( -4.004 0.000 7.473) 8.478 12.415 ( 8.637 0.000 -6.331) 10.709 12.415 ( 8.637 0.000 6.331) 10.709 12.681 ( 6.157 0.000 -5.182) 8.047 12.681 ( 6.157 0.000 5.182) 8.047 12.910 ( -2.160 0.000 -1.897) 2.874 12.910 ( -2.160 0.000 1.897) 2.874 13.134 ( -1.617 0.000 -1.718) 2.359 13.134 ( -1.617 0.000 1.718) 2.359 13.134 ( 1.821 0.000 -5.703) 5.987 13.134 ( 1.821 0.000 5.703) 5.987 13.386 ( -1.627 0.000 -4.875) 5.139 13.386 ( -1.627 0.000 4.875) 5.139 13.746 ( -1.014 0.000 -3.714) 3.850 13.746 ( -1.014 0.000 3.714) 3.850 14.088 ( 0.942 0.000 -3.887) 3.999 14.088 ( 0.942 0.000 3.887) 3.999 14.978 ( 0.240 0.000 -5.507) 5.512 14.978 ( 0.240 0.000 5.507) 5.512 15.527 ( 15.880 0.000 -5.150) 16.694 15.527 ( 15.880 0.000 5.150) 16.694 15.538 ( -0.855 0.000 -1.203) 1.476 15.538 ( -0.855 0.000 1.203) 1.476 16.515 ( -5.769 0.000 -2.204) 6.176 16.515 ( -5.769 0.000 2.204) 6.176 16.566 ( 7.353 0.000 -0.678) 7.384 16.566 ( 7.353 0.000 0.678) 7.384 16.886 ( 2.338 0.000 -3.583) 4.279 16.886 ( 2.338 0.000 3.583) 4.279 17.352 ( -7.591 0.000 -1.774) 7.796 17.352 ( -7.591 0.000 1.774) 7.796 17.571 ( -5.192 0.000 -2.113) 5.605 17.571 ( -5.192 0.000 2.113) 5.605 23.780 ( 1.158 0.000 -1.994) 2.305 23.780 ( 1.158 0.000 1.994) 2.305 24.057 ( -0.107 0.000 -0.252) 0.273 24.057 ( -0.107 0.000 0.252) 0.273 24.903 ( 0.798 0.000 -2.213) 2.352 24.903 ( 0.798 0.000 2.213) 2.352 24.970 ( -0.590 0.000 -4.569) 4.607 24.970 ( -0.590 0.000 4.569) 4.607 25.065 ( 1.214 0.000 -2.004) 2.343 25.065 ( 1.214 0.000 2.004) 2.343 25.149 ( -0.816 0.000 -1.764) 1.943 25.149 ( -0.816 0.000 1.764) 1.943 25.181 ( 2.318 0.000 -0.688) 2.418 25.181 ( 2.318 0.000 0.688) 2.418 25.348 ( -1.001 0.000 -2.092) 2.319 25.348 ( -1.001 0.000 2.092) 2.319 27.105 ( 2.784 0.000 -3.271) 4.296 27.105 ( 2.784 0.000 3.271) 4.296 27.274 ( 4.927 0.000 -2.901) 5.717 27.274 ( 4.927 0.000 2.901) 5.717 27.294 ( -2.155 0.000 -5.909) 6.290 27.294 ( -2.155 0.000 5.909) 6.290 27.655 ( -5.603 0.000 -4.335) 7.084 27.655 ( -5.603 0.000 4.335) 7.084 28.693 ( 5.636 0.000 -3.945) 6.880 28.693 ( 5.636 0.000 3.945) 6.880 28.731 ( 6.436 0.000 -3.886) 7.518 28.731 ( 6.436 0.000 3.886) 7.518 30.265 ( -8.397 0.000 -5.062) 9.805 30.265 ( -8.397 0.000 5.062) 9.805 30.582 ( -13.951 0.000 -3.672) 14.426 30.582 ( -13.951 0.000 3.672) 14.426 ======================= Grid point 90 (36/40) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -6.135 0.000 -6.928) 9.253 1.900 ( -6.135 0.000 6.928) 9.253 2.106 ( -1.880 0.000 -5.114) 5.449 2.106 ( -1.880 0.000 5.114) 5.449 2.451 ( 0.566 0.000 -6.256) 6.281 2.451 ( 0.566 0.000 6.256) 6.281 2.564 ( 2.144 0.000 -2.058) 2.972 2.564 ( 2.144 0.000 2.058) 2.972 2.680 ( 14.524 0.000 -3.749) 15.000 2.680 ( 14.524 0.000 3.749) 15.000 2.865 ( -0.975 0.000 -3.460) 3.595 2.865 ( -0.975 0.000 3.460) 3.595 2.930 ( -0.624 0.000 -2.079) 2.170 2.930 ( -0.624 0.000 2.079) 2.170 3.017 ( 0.511 0.000 -3.619) 3.655 3.017 ( 0.511 0.000 3.619) 3.655 3.100 ( 0.383 0.000 -1.036) 1.104 3.100 ( 0.383 0.000 1.036) 1.104 3.157 ( -12.208 0.000 -1.309) 12.278 3.157 ( -12.208 0.000 1.309) 12.278 3.426 ( 1.905 0.000 -1.773) 2.602 3.426 ( 1.905 0.000 1.773) 2.602 3.656 ( 0.308 0.000 -1.530) 1.560 3.656 ( 0.308 0.000 1.530) 1.560 3.698 ( -2.028 0.000 -2.458) 3.187 3.698 ( -2.028 0.000 2.458) 3.187 3.927 ( -0.223 0.000 -1.761) 1.775 3.927 ( -0.223 0.000 1.761) 1.775 4.228 ( -0.308 0.000 -2.700) 2.718 4.228 ( -0.308 0.000 2.700) 2.718 4.269 ( -1.559 0.000 -2.033) 2.562 4.269 ( -1.559 0.000 2.033) 2.562 4.790 ( 7.336 0.000 -1.275) 7.446 4.790 ( 7.336 0.000 1.275) 7.446 4.940 ( -0.807 0.000 -2.259) 2.398 4.940 ( -0.807 0.000 2.259) 2.398 4.949 ( 4.271 0.000 -1.701) 4.598 4.949 ( 4.271 0.000 1.701) 4.598 5.061 ( -0.696 0.000 -3.890) 3.952 5.061 ( -0.696 0.000 3.890) 3.952 5.232 ( 0.574 0.000 -1.705) 1.800 5.232 ( 0.574 0.000 1.705) 1.800 5.316 ( 0.623 0.000 -0.896) 1.091 5.316 ( 0.623 0.000 0.896) 1.091 5.386 ( -1.387 0.000 -2.337) 2.717 5.386 ( -1.387 0.000 2.337) 2.717 5.584 ( -1.135 0.000 -1.097) 1.579 5.584 ( -1.135 0.000 1.097) 1.579 5.871 ( 2.117 0.000 -0.509) 2.177 5.871 ( 2.117 0.000 0.509) 2.177 5.969 ( -1.186 0.000 -1.173) 1.668 5.969 ( -1.186 0.000 1.173) 1.668 6.169 ( 4.520 0.000 -1.220) 4.682 6.169 ( 4.520 0.000 1.220) 4.682 6.335 ( 9.064 0.000 -2.085) 9.301 6.335 ( 9.064 0.000 2.085) 9.301 6.472 ( 0.462 0.000 -0.928) 1.037 6.472 ( 0.462 0.000 0.928) 1.037 6.514 ( -7.299 0.000 -2.489) 7.712 6.514 ( -7.299 0.000 2.489) 7.712 6.729 ( 2.545 0.000 -0.739) 2.650 6.729 ( 2.545 0.000 0.739) 2.650 7.024 ( -3.554 0.000 -2.081) 4.118 7.024 ( -3.554 0.000 2.081) 4.118 7.226 ( 1.218 0.000 -1.439) 1.885 7.226 ( 1.218 0.000 1.439) 1.885 7.396 ( 0.057 0.000 -1.659) 1.660 7.396 ( 0.057 0.000 1.659) 1.660 7.666 ( 0.344 0.000 -1.256) 1.303 7.666 ( 0.344 0.000 1.256) 1.303 7.676 ( 8.802 0.000 -3.442) 9.451 7.676 ( 8.802 0.000 3.442) 9.451 7.954 ( 1.001 0.000 -5.173) 5.269 7.954 ( 1.001 0.000 5.173) 5.269 8.059 ( -1.566 0.000 -0.370) 1.609 8.059 ( -1.566 0.000 0.370) 1.609 8.171 ( -5.034 0.000 -2.028) 5.427 8.171 ( -5.034 0.000 2.028) 5.427 8.645 ( -4.011 0.000 -3.016) 5.019 8.645 ( -4.011 0.000 3.016) 5.019 8.705 ( 1.726 0.000 -1.268) 2.141 8.705 ( 1.726 0.000 1.268) 2.142 8.819 ( 7.449 0.000 -2.327) 7.804 8.819 ( 7.449 0.000 2.327) 7.804 8.845 ( 9.099 0.000 -2.580) 9.457 8.845 ( 9.099 0.000 2.580) 9.457 9.059 ( -7.869 0.000 -2.128) 8.152 9.059 ( -7.869 0.000 2.128) 8.152 9.123 ( -13.660 0.000 -0.580) 13.673 9.123 ( -13.660 0.000 0.580) 13.673 9.391 ( 1.305 0.000 -1.792) 2.217 9.391 ( 1.305 0.000 1.792) 2.217 9.449 ( -0.390 0.000 -2.137) 2.173 9.449 ( -0.390 0.000 2.137) 2.173 9.715 ( -1.671 0.000 -1.144) 2.025 9.715 ( -1.671 0.000 1.144) 2.025 9.870 ( -5.512 0.000 -1.419) 5.692 9.870 ( -5.512 0.000 1.419) 5.692 10.271 ( -2.705 0.000 -2.587) 3.742 10.271 ( -2.705 0.000 2.587) 3.742 10.375 ( 2.259 0.000 -3.459) 4.132 10.375 ( 2.259 0.000 3.459) 4.132 10.764 ( -3.650 0.000 -3.734) 5.222 10.764 ( -3.650 0.000 3.734) 5.222 12.582 ( 6.491 0.000 -3.740) 7.492 12.582 ( 6.491 0.000 3.740) 7.492 12.828 ( 6.635 0.000 -4.068) 7.783 12.828 ( 6.635 0.000 4.068) 7.783 12.832 ( -4.282 0.000 -1.719) 4.614 12.832 ( -4.282 0.000 1.719) 4.614 13.064 ( -4.375 0.000 -2.458) 5.018 13.064 ( -4.375 0.000 2.458) 5.018 13.173 ( 1.252 0.000 -2.295) 2.614 13.173 ( 1.252 0.000 2.295) 2.614 13.353 ( -1.071 0.000 -2.231) 2.475 13.353 ( -1.071 0.000 2.231) 2.475 13.731 ( -0.378 0.000 -1.552) 1.598 13.731 ( -0.378 0.000 1.552) 1.598 14.099 ( 0.206 0.000 -1.194) 1.212 14.099 ( 0.206 0.000 1.194) 1.212 14.984 ( 0.226 0.000 -2.003) 2.016 14.984 ( 0.226 0.000 2.003) 2.016 15.522 ( -0.530 0.000 -0.681) 0.863 15.522 ( -0.530 0.000 0.681) 0.863 15.838 ( 12.086 0.000 -2.704) 12.384 15.838 ( 12.086 0.000 2.704) 12.384 16.351 ( -8.205 0.000 -1.676) 8.375 16.351 ( -8.205 0.000 1.676) 8.375 16.701 ( 4.605 0.000 -0.378) 4.620 16.701 ( 4.605 0.000 0.378) 4.620 16.936 ( 1.722 0.000 -1.357) 2.192 16.936 ( 1.722 0.000 1.357) 2.192 17.213 ( -4.722 0.000 -0.922) 4.812 17.213 ( -4.722 0.000 0.922) 4.812 17.488 ( -2.382 0.000 -0.811) 2.516 17.488 ( -2.382 0.000 0.811) 2.516 23.799 ( 0.520 0.000 -0.718) 0.886 23.799 ( 0.520 0.000 0.718) 0.886 24.055 ( -0.063 0.000 -0.088) 0.108 24.055 ( -0.063 0.000 0.088) 0.108 24.922 ( 0.902 0.000 -0.730) 1.160 24.922 ( 0.902 0.000 0.730) 1.160 24.956 ( -0.697 0.000 -2.652) 2.742 24.956 ( -0.697 0.000 2.652) 2.742 25.089 ( 0.977 0.000 -1.477) 1.770 25.089 ( 0.977 0.000 1.477) 1.770 25.131 ( -0.785 0.000 -1.298) 1.517 25.131 ( -0.785 0.000 1.298) 1.517 25.223 ( 1.495 0.000 -0.507) 1.579 25.223 ( 1.495 0.000 0.507) 1.579 25.324 ( -1.045 0.000 -1.310) 1.675 25.324 ( -1.045 0.000 1.310) 1.675 27.167 ( 3.131 0.000 -4.031) 5.104 27.167 ( 3.131 0.000 4.031) 5.104 27.241 ( -2.857 0.000 -4.963) 5.726 27.241 ( -2.857 0.000 4.963) 5.726 27.390 ( 6.223 0.000 -4.069) 7.435 27.390 ( 6.223 0.000 4.069) 7.435 27.528 ( -6.531 0.000 -4.556) 7.963 27.528 ( -6.531 0.000 4.556) 7.963 28.788 ( 2.861 0.000 -1.942) 3.458 28.788 ( 2.861 0.000 1.942) 3.458 28.841 ( 3.376 0.000 -1.918) 3.883 28.841 ( 3.376 0.000 1.918) 3.883 30.126 ( -4.091 0.000 -2.225) 4.657 30.126 ( -4.091 0.000 2.225) 4.657 30.356 ( -6.603 0.000 -1.835) 6.853 30.356 ( -6.603 0.000 1.835) 6.853 ======================= Grid point 98 (37/40) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 -0.063 -0.048) 0.079 1.790 ( 0.000 -0.063 0.048) 0.079 2.086 ( 0.000 0.688 -9.850) 9.874 2.086 ( 0.000 0.688 9.850) 9.874 2.421 ( 0.000 1.022 -0.480) 1.129 2.421 ( 0.000 1.022 0.480) 1.129 2.449 ( 0.000 -0.041 -8.545) 8.546 2.449 ( 0.000 -0.041 8.545) 8.546 2.515 ( 0.000 0.802 -14.606) 14.628 2.515 ( 0.000 0.802 14.606) 14.628 2.657 ( 0.000 0.547 -3.587) 3.628 2.657 ( 0.000 0.547 3.587) 3.628 2.990 ( 0.000 2.134 -4.208) 4.718 2.990 ( 0.000 2.134 4.208) 4.718 3.052 ( 0.000 1.136 -6.525) 6.623 3.052 ( 0.000 1.136 6.525) 6.623 3.311 ( 0.000 0.101 -8.202) 8.203 3.311 ( 0.000 0.101 8.202) 8.203 3.361 ( 0.000 -3.392 -4.848) 5.917 3.361 ( 0.000 -3.392 4.848) 5.917 3.626 ( 0.000 -0.069 -0.015) 0.071 3.626 ( 0.000 -0.069 0.015) 0.071 3.667 ( 0.000 -3.964 -2.317) 4.592 3.667 ( 0.000 -3.964 2.317) 4.592 3.768 ( 0.000 0.505 -1.160) 1.265 3.768 ( 0.000 0.505 1.160) 1.265 3.918 ( 0.000 1.912 -0.786) 2.067 3.918 ( 0.000 1.912 0.786) 2.067 4.220 ( 0.000 0.836 -1.997) 2.165 4.220 ( 0.000 0.836 1.997) 2.165 4.422 ( 0.000 -0.454 -0.688) 0.824 4.422 ( 0.000 -0.454 0.688) 0.824 4.504 ( 0.000 -0.914 -1.590) 1.834 4.504 ( 0.000 -0.914 1.590) 1.834 4.566 ( 0.000 4.212 -4.348) 6.054 4.566 ( 0.000 4.212 4.348) 6.054 4.698 ( 0.000 -7.292 -3.684) 8.170 4.698 ( 0.000 -7.292 3.684) 8.170 5.167 ( 0.000 0.816 -0.255) 0.855 5.167 ( 0.000 0.816 0.255) 0.855 5.265 ( 0.000 -3.397 -5.531) 6.491 5.265 ( 0.000 -3.397 5.531) 6.491 5.391 ( 0.000 4.484 -5.210) 6.874 5.391 ( 0.000 4.484 5.210) 6.874 5.424 ( 0.000 5.946 -6.447) 8.770 5.424 ( 0.000 5.946 6.447) 8.770 5.554 ( 0.000 -5.140 -10.080) 11.315 5.554 ( 0.000 -5.140 10.080) 11.315 5.799 ( 0.000 -1.385 -3.202) 3.489 5.799 ( 0.000 -1.385 3.202) 3.489 5.848 ( 0.000 0.643 -0.665) 0.925 5.848 ( 0.000 0.643 0.665) 0.925 5.886 ( 0.000 1.139 -0.102) 1.143 5.886 ( 0.000 1.139 0.102) 1.143 6.145 ( 0.000 -1.484 -0.917) 1.745 6.145 ( 0.000 -1.484 0.917) 1.745 6.308 ( 0.000 3.186 -0.465) 3.219 6.308 ( 0.000 3.186 0.465) 3.219 6.574 ( 0.000 -1.828 -0.086) 1.830 6.574 ( 0.000 -1.828 0.086) 1.830 6.630 ( 0.000 0.444 -0.517) 0.681 6.630 ( 0.000 0.444 0.517) 0.681 7.086 ( 0.000 0.896 -0.221) 0.923 7.086 ( 0.000 0.896 0.221) 0.923 7.094 ( 0.000 2.036 -0.728) 2.162 7.094 ( 0.000 2.036 0.728) 2.162 7.229 ( 0.000 -3.437 -0.700) 3.508 7.229 ( 0.000 -3.437 0.700) 3.508 7.304 ( 0.000 3.496 -0.076) 3.497 7.304 ( 0.000 3.496 0.076) 3.497 7.571 ( 0.000 -8.389 -0.051) 8.390 7.571 ( 0.000 -8.389 0.051) 8.390 7.969 ( 0.000 9.427 -0.820) 9.462 7.969 ( 0.000 9.427 0.820) 9.462 8.096 ( 0.000 -3.621 -0.293) 3.633 8.096 ( 0.000 -3.621 0.293) 3.633 8.480 ( 0.000 -1.977 -0.525) 2.045 8.480 ( 0.000 -1.977 0.525) 2.045 8.601 ( 0.000 2.005 -1.459) 2.480 8.601 ( 0.000 2.005 1.459) 2.480 8.671 ( 0.000 -0.997 -2.423) 2.620 8.671 ( 0.000 -0.997 2.423) 2.620 8.773 ( 0.000 0.404 -4.394) 4.413 8.773 ( 0.000 0.404 4.394) 4.413 9.165 ( 0.000 1.200 -0.025) 1.201 9.165 ( 0.000 1.200 0.025) 1.201 9.190 ( 0.000 1.710 -7.780) 7.966 9.190 ( 0.000 1.710 7.780) 7.966 9.397 ( 0.000 -1.337 -4.041) 4.256 9.397 ( 0.000 -1.337 4.041) 4.256 9.427 ( 0.000 0.462 -0.907) 1.018 9.427 ( 0.000 0.462 0.907) 1.018 9.480 ( 0.000 -2.309 -0.109) 2.312 9.480 ( 0.000 -2.309 0.109) 2.312 9.679 ( 0.000 -0.461 -0.080) 0.468 9.679 ( 0.000 -0.461 0.080) 0.468 10.359 ( 0.000 1.753 -4.624) 4.945 10.359 ( 0.000 1.753 4.624) 4.945 10.518 ( 0.000 -1.067 -0.923) 1.410 10.518 ( 0.000 -1.067 0.923) 1.410 10.642 ( 0.000 0.063 -2.331) 2.332 10.642 ( 0.000 0.063 2.331) 2.332 10.896 ( 0.000 -0.329 -5.373) 5.383 10.896 ( 0.000 -0.329 5.373) 5.383 12.227 ( 0.000 1.963 -4.267) 4.697 12.227 ( 0.000 1.963 4.267) 4.697 12.604 ( 0.000 -2.797 -0.616) 2.864 12.604 ( 0.000 -2.797 0.616) 2.864 12.896 ( 0.000 0.967 -0.692) 1.189 12.896 ( 0.000 0.967 0.692) 1.189 13.035 ( 0.000 -1.665 -0.120) 1.669 13.035 ( 0.000 -1.665 0.120) 1.669 13.149 ( 0.000 1.100 -1.664) 1.995 13.149 ( 0.000 1.100 1.664) 1.995 13.390 ( 0.000 -0.620 -0.249) 0.668 13.390 ( 0.000 -0.620 0.249) 0.668 13.856 ( 0.000 7.100 -5.373) 8.904 13.856 ( 0.000 7.100 5.373) 8.904 13.989 ( 0.000 -5.968 -6.732) 8.996 13.989 ( 0.000 -5.968 6.732) 8.996 15.006 ( 0.000 2.270 -6.279) 6.677 15.006 ( 0.000 2.270 6.279) 6.677 15.129 ( 0.000 -2.105 -5.988) 6.347 15.129 ( 0.000 -2.105 5.988) 6.347 15.561 ( 0.000 0.320 -0.042) 0.322 15.561 ( 0.000 0.320 0.042) 0.322 16.383 ( 0.000 0.028 -0.597) 0.598 16.383 ( 0.000 0.028 0.597) 0.598 16.548 ( 0.000 -0.336 -0.441) 0.555 16.548 ( 0.000 -0.336 0.441) 0.555 16.871 ( 0.000 -0.198 -1.437) 1.450 16.871 ( 0.000 -0.198 1.437) 1.450 17.563 ( 0.000 1.639 -1.063) 1.953 17.563 ( 0.000 1.639 1.063) 1.953 17.700 ( 0.000 -1.391 -1.608) 2.126 17.700 ( 0.000 -1.391 1.608) 2.126 23.790 ( 0.000 3.466 -1.954) 3.979 23.790 ( 0.000 3.466 1.954) 3.979 24.003 ( 0.000 -4.334 -0.597) 4.375 24.003 ( 0.000 -4.334 0.597) 4.375 24.898 ( 0.000 0.527 -0.329) 0.621 24.898 ( 0.000 0.527 0.329) 0.621 24.999 ( 0.000 0.114 -0.682) 0.692 24.999 ( 0.000 0.114 0.682) 0.692 25.037 ( 0.000 0.106 -0.390) 0.404 25.037 ( 0.000 0.106 0.390) 0.404 25.100 ( 0.000 -0.222 -0.849) 0.877 25.100 ( 0.000 -0.222 0.849) 0.877 25.199 ( 0.000 2.379 -1.046) 2.599 25.199 ( 0.000 2.379 1.046) 2.599 25.340 ( 0.000 -2.012 -1.000) 2.247 25.340 ( 0.000 -2.012 1.000) 2.247 27.069 ( 0.000 2.509 -1.789) 3.081 27.069 ( 0.000 2.509 1.789) 3.081 27.131 ( 0.000 -3.195 -0.645) 3.260 27.131 ( 0.000 -3.195 0.645) 3.260 27.347 ( 0.000 0.601 -2.844) 2.907 27.347 ( 0.000 0.601 2.844) 2.907 27.780 ( 0.000 0.080 -1.622) 1.624 27.780 ( 0.000 0.080 1.622) 1.624 28.542 ( 0.000 -0.141 -0.579) 0.596 28.542 ( 0.000 -0.141 0.579) 0.596 28.566 ( 0.000 0.086 -0.496) 0.504 28.566 ( 0.000 0.086 0.496) 0.504 30.504 ( 0.000 0.858 -3.028) 3.147 30.504 ( 0.000 0.858 3.028) 3.147 30.958 ( 0.000 -0.821 -1.433) 1.652 30.958 ( 0.000 -0.821 1.433) 1.652 ======================= Grid point 100 (38/40) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 12.420 -0.351 -0.229) 12.427 1.928 ( 12.420 -0.351 0.229) 12.427 2.110 ( 1.999 1.657 -9.932) 10.266 2.110 ( 1.999 1.657 9.932) 10.266 2.350 ( -5.251 -1.128 -1.411) 5.553 2.350 ( -5.251 -1.128 1.411) 5.553 2.470 ( -2.160 1.908 -5.486) 6.197 2.470 ( -2.160 1.908 5.486) 6.197 2.553 ( 3.635 3.230 -15.570) 16.311 2.553 ( 3.635 3.230 15.570) 16.311 2.651 ( 2.814 -2.960 -5.285) 6.680 2.651 ( 2.814 -2.960 5.285) 6.680 3.042 ( 2.021 3.344 -5.720) 6.927 3.042 ( 2.021 3.344 5.720) 6.927 3.059 ( 1.047 0.955 -6.373) 6.529 3.059 ( 1.047 0.955 6.373) 6.529 3.214 ( -8.936 1.284 -4.703) 10.179 3.214 ( -8.936 1.284 4.703) 10.179 3.350 ( -0.171 -5.546 -4.762) 7.312 3.350 ( -0.171 -5.546 4.762) 7.312 3.610 ( -4.697 -1.471 -3.861) 6.256 3.610 ( -4.697 -1.471 3.861) 6.256 3.624 ( -2.444 -2.797 -2.077) 4.255 3.624 ( -2.444 -2.797 2.077) 4.255 3.793 ( 3.746 1.484 -1.752) 4.394 3.793 ( 3.746 1.484 1.752) 4.394 3.855 ( -3.503 1.780 -1.678) 4.273 3.855 ( -3.503 1.780 1.678) 4.273 4.225 ( 0.746 0.862 -2.539) 2.783 4.225 ( 0.746 0.862 2.539) 2.783 4.384 ( -3.959 -1.656 -0.952) 4.396 4.384 ( -3.959 -1.656 0.952) 4.396 4.519 ( 1.455 1.231 -1.573) 2.471 4.519 ( 1.455 1.231 1.573) 2.471 4.647 ( 7.252 2.699 -4.069) 8.743 4.647 ( 7.252 2.699 4.069) 8.743 4.777 ( 6.494 -6.932 -5.114) 10.788 4.777 ( 6.494 -6.932 5.114) 10.788 5.140 ( -2.623 0.523 -2.949) 3.981 5.140 ( -2.623 0.523 2.949) 3.981 5.244 ( -1.727 -2.249 -3.780) 4.726 5.244 ( -1.727 -2.249 3.780) 4.726 5.370 ( -0.354 3.354 -2.300) 4.082 5.370 ( -0.354 3.354 2.300) 4.082 5.430 ( 0.525 6.662 -8.029) 10.447 5.430 ( 0.525 6.662 8.029) 10.447 5.573 ( 0.248 -5.270 -6.580) 8.434 5.573 ( 0.248 -5.270 6.580) 8.434 5.797 ( 0.303 -0.369 -1.919) 1.977 5.797 ( 0.303 -0.369 1.919) 1.977 5.873 ( 2.442 -0.996 -2.294) 3.495 5.873 ( 2.442 -0.996 2.294) 3.495 5.934 ( 4.929 1.321 -0.171) 5.106 5.934 ( 4.929 1.321 0.171) 5.106 6.154 ( -0.107 -1.971 -0.861) 2.153 6.154 ( -0.107 -1.971 0.861) 2.153 6.357 ( 5.215 4.714 -0.591) 7.055 6.357 ( 5.215 4.714 0.591) 7.055 6.606 ( 2.093 -2.193 -0.972) 3.184 6.606 ( 2.093 -2.193 0.972) 3.184 6.649 ( 1.303 0.234 -0.783) 1.538 6.649 ( 1.303 0.234 0.783) 1.538 7.082 ( -1.049 -0.979 -0.622) 1.564 7.082 ( -1.049 -0.979 0.622) 1.564 7.172 ( 6.289 2.980 -2.096) 7.268 7.172 ( 6.289 2.980 2.096) 7.268 7.239 ( 2.697 -2.709 -2.576) 4.610 7.239 ( 2.697 -2.709 2.576) 4.610 7.338 ( 3.027 3.146 -1.273) 4.548 7.338 ( 3.027 3.146 1.273) 4.548 7.589 ( 1.512 -7.318 -1.289) 7.583 7.589 ( 1.512 -7.318 1.289) 7.583 7.948 ( -1.848 7.821 -2.376) 8.380 7.948 ( -1.848 7.821 2.376) 8.380 8.086 ( -0.654 -4.235 -0.357) 4.300 8.086 ( -0.654 -4.235 0.357) 4.300 8.495 ( -0.463 2.399 -1.698) 2.975 8.495 ( -0.463 2.399 1.698) 2.975 8.570 ( -1.008 -1.831 -1.330) 2.477 8.570 ( -1.008 -1.831 1.330) 2.477 8.684 ( 1.587 0.500 -1.445) 2.204 8.684 ( 1.587 0.500 1.445) 2.204 8.714 ( -4.464 0.915 -2.982) 5.446 8.714 ( -4.464 0.915 2.982) 5.446 9.055 ( -10.886 0.542 -7.523) 13.243 9.055 ( -10.886 0.542 7.523) 13.243 9.203 ( 0.831 -0.911 -1.059) 1.625 9.203 ( 0.831 -0.911 1.059) 1.625 9.331 ( -1.277 -0.208 -1.222) 1.780 9.331 ( -1.277 -0.208 1.222) 1.780 9.417 ( -2.743 1.079 -1.606) 3.356 9.417 ( -2.743 1.079 1.606) 3.356 9.537 ( 3.682 -1.647 -0.761) 4.104 9.537 ( 3.682 -1.647 0.761) 4.104 9.716 ( 1.464 -0.756 -1.865) 2.488 9.716 ( 1.464 -0.756 1.865) 2.488 10.292 ( -6.775 2.704 -3.300) 8.006 10.292 ( -6.775 2.704 3.300) 8.006 10.420 ( -8.723 -3.304 -1.672) 9.477 10.420 ( -8.723 -3.304 1.672) 9.477 10.570 ( -5.493 1.884 -2.821) 6.456 10.570 ( -5.493 1.884 2.821) 6.456 10.892 ( -1.029 -0.702 -5.074) 5.224 10.892 ( -1.029 -0.702 5.074) 5.224 12.284 ( 5.378 1.557 -4.122) 6.953 12.284 ( 5.378 1.557 4.122) 6.953 12.591 ( 0.446 -1.881 -2.005) 2.786 12.591 ( 0.446 -1.881 2.005) 2.786 12.931 ( 2.708 2.140 -1.145) 3.636 12.931 ( 2.708 2.140 1.145) 3.636 13.035 ( -0.534 -3.864 -0.799) 3.981 13.035 ( -0.534 -3.864 0.799) 3.981 13.191 ( 3.065 2.535 -2.287) 4.588 13.191 ( 3.065 2.535 2.287) 4.588 13.374 ( -1.515 -1.814 -2.052) 3.130 13.374 ( -1.515 -1.814 2.052) 3.130 13.853 ( -0.428 7.629 -5.020) 9.142 13.853 ( -0.428 7.629 5.020) 9.142 13.997 ( 0.671 -6.546 -6.027) 8.924 13.997 ( 0.671 -6.546 6.027) 8.924 15.016 ( 1.029 3.049 -5.404) 6.289 15.016 ( 1.029 3.049 5.404) 6.289 15.213 ( 7.526 -3.191 -5.018) 9.592 15.213 ( 7.526 -3.191 5.018) 9.592 15.565 ( 0.987 0.838 -0.275) 1.324 15.565 ( 0.987 0.838 0.275) 1.324 16.441 ( 5.413 0.422 -0.527) 5.455 16.441 ( 5.413 0.422 0.527) 5.455 16.556 ( 0.044 -0.577 -0.782) 0.973 16.556 ( 0.044 -0.577 0.782) 0.973 16.860 ( -0.700 -0.400 -1.775) 1.950 16.860 ( -0.700 -0.400 1.775) 1.950 17.515 ( -4.497 2.098 -1.305) 5.131 17.515 ( -4.497 2.098 1.305) 5.131 17.650 ( -4.593 -1.766 -1.738) 5.219 17.650 ( -4.593 -1.766 1.738) 5.219 23.802 ( 1.122 3.710 -1.810) 4.277 23.802 ( 1.122 3.710 1.810) 4.277 24.001 ( -0.207 -4.545 -0.575) 4.586 24.001 ( -0.207 -4.545 0.575) 4.586 24.903 ( 0.479 0.686 -1.230) 1.488 24.903 ( 0.479 0.686 1.230) 1.488 24.981 ( -1.322 -0.178 -1.807) 2.246 24.981 ( -1.322 -0.178 1.807) 2.246 25.048 ( 1.059 0.317 -0.837) 1.386 25.048 ( 1.059 0.317 0.837) 1.386 25.115 ( 1.050 -0.767 -0.720) 1.486 25.115 ( 1.050 -0.767 0.720) 1.486 25.208 ( 0.727 2.950 -1.040) 3.211 25.208 ( 0.727 2.950 1.040) 3.211 25.335 ( -0.493 -2.165 -1.222) 2.534 25.335 ( -0.493 -2.165 1.222) 2.534 27.085 ( 1.444 2.344 -2.002) 3.404 27.085 ( 1.444 2.344 2.002) 3.404 27.157 ( 2.498 -3.118 -1.233) 4.181 27.157 ( 2.498 -3.118 1.233) 4.181 27.340 ( -0.664 0.756 -2.692) 2.874 27.340 ( -0.664 0.756 2.692) 2.874 27.747 ( -3.224 0.034 -1.826) 3.705 27.747 ( -3.224 0.034 1.826) 3.705 28.587 ( 4.141 -0.091 -1.437) 4.384 28.587 ( 4.141 -0.091 1.437) 4.384 28.613 ( 4.376 0.014 -1.417) 4.600 28.613 ( 4.376 0.014 1.417) 4.600 30.439 ( -5.996 1.030 -3.072) 6.815 30.439 ( -5.996 1.030 3.072) 6.815 30.838 ( -11.074 -0.964 -1.785) 11.258 30.838 ( -11.074 -0.964 1.785) 11.258 ======================= Grid point 102 (39/40) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -3.141 3.316 -11.923) 12.768 2.089 ( -3.141 3.316 11.923) 12.768 2.167 ( -8.639 -2.925 -6.909) 11.442 2.167 ( -8.639 -2.925 6.909) 11.442 2.277 ( 16.460 0.306 -1.832) 16.564 2.277 ( 16.460 0.306 1.832) 16.564 2.485 ( 3.461 1.996 -5.066) 6.452 2.485 ( 3.461 1.996 5.066) 6.452 2.611 ( 0.262 4.653 -9.827) 10.876 2.611 ( 0.262 4.653 9.827) 10.876 2.727 ( 3.090 -5.243 -6.359) 8.802 2.727 ( 3.090 -5.243 6.359) 8.802 2.948 ( -4.109 -2.631 -0.487) 4.903 2.948 ( -4.109 -2.631 0.487) 4.903 3.098 ( 0.476 4.044 -4.360) 5.965 3.098 ( 0.476 4.044 4.360) 5.965 3.137 ( 0.878 2.897 -0.559) 3.078 3.137 ( 0.878 2.897 0.559) 3.078 3.325 ( -4.466 -2.991 -3.592) 6.465 3.325 ( -4.466 -2.991 3.592) 6.465 3.473 ( -6.604 2.255 -2.313) 7.351 3.473 ( -6.604 2.255 2.313) 7.351 3.572 ( -2.623 -5.506 -0.609) 6.129 3.572 ( -2.623 -5.506 0.609) 6.129 3.795 ( -0.782 2.191 -0.601) 2.403 3.795 ( -0.782 2.191 0.601) 2.403 3.885 ( 2.395 -1.190 -2.427) 3.611 3.885 ( 2.395 -1.190 2.427) 3.611 4.243 ( -0.110 0.642 -3.695) 3.752 4.243 ( -0.110 0.642 3.695) 3.752 4.290 ( -3.996 -1.874 -2.727) 5.188 4.290 ( -3.996 -1.874 2.727) 5.188 4.610 ( 8.177 0.348 -1.042) 8.250 4.610 ( 8.177 0.348 1.042) 8.250 4.816 ( 6.860 2.099 -3.797) 8.117 4.816 ( 6.860 2.099 3.797) 8.117 4.901 ( 6.349 -3.929 -5.807) 9.459 4.901 ( 6.349 -3.929 5.807) 9.459 5.087 ( -1.869 0.504 -4.152) 4.581 5.087 ( -1.869 0.504 4.152) 4.581 5.217 ( -0.539 -0.848 -1.815) 2.074 5.217 ( -0.539 -0.848 1.815) 2.074 5.371 ( -1.046 5.361 -0.690) 5.506 5.371 ( -1.046 5.361 0.690) 5.506 5.439 ( 0.206 3.290 -6.134) 6.964 5.439 ( 0.206 3.290 6.134) 6.964 5.548 ( -1.748 -6.078 -3.590) 7.272 5.548 ( -1.748 -6.078 3.590) 7.272 5.823 ( 2.167 0.167 -0.689) 2.280 5.823 ( 2.167 0.167 0.689) 2.280 5.936 ( 2.786 -2.152 -1.352) 3.771 5.936 ( 2.786 -2.152 1.352) 3.771 6.075 ( 7.707 2.885 -1.890) 8.444 6.075 ( 7.707 2.885 1.890) 8.444 6.160 ( 2.486 -2.613 -2.171) 4.209 6.160 ( 2.486 -2.613 2.171) 4.209 6.481 ( 5.360 6.051 -1.904) 8.305 6.481 ( 5.360 6.051 1.904) 8.305 6.615 ( -1.437 -2.313 -3.288) 4.269 6.615 ( -1.437 -2.313 3.288) 4.269 6.668 ( 0.597 -0.798 -1.138) 1.513 6.668 ( 0.597 -0.798 1.138) 1.513 7.029 ( -3.813 -3.590 -1.631) 5.485 7.029 ( -3.813 -3.590 1.631) 5.485 7.254 ( 2.764 3.864 -2.784) 5.507 7.254 ( 2.764 3.864 2.784) 5.507 7.382 ( 3.398 -0.019 -1.403) 3.676 7.382 ( 3.398 -0.019 1.403) 3.676 7.431 ( 10.502 0.182 -2.200) 10.731 7.431 ( 10.502 0.182 2.200) 10.731 7.629 ( 2.506 -3.314 -1.283) 4.349 7.629 ( 2.506 -3.314 1.283) 4.349 7.914 ( -0.953 1.676 -3.447) 3.950 7.914 ( -0.953 1.676 3.447) 3.950 8.066 ( -1.719 -2.501 -1.135) 3.240 8.066 ( -1.719 -2.501 1.135) 3.240 8.419 ( -5.428 7.606 -2.368) 9.639 8.419 ( -5.428 7.606 2.368) 9.639 8.599 ( 1.215 -5.107 -2.217) 5.698 8.599 ( 1.215 -5.107 2.217) 5.698 8.669 ( 1.534 0.419 -1.313) 2.062 8.669 ( 1.534 0.419 1.313) 2.062 8.727 ( 1.581 0.390 -0.610) 1.739 8.727 ( 1.581 0.390 0.610) 1.739 8.841 ( -6.319 0.622 -5.746) 8.563 8.841 ( -6.319 0.622 5.746) 8.563 9.177 ( -2.683 -1.933 -1.913) 3.820 9.177 ( -2.683 -1.933 1.913) 3.820 9.311 ( -4.057 2.416 -0.434) 4.742 9.311 ( -4.057 2.416 0.434) 4.742 9.359 ( -3.273 -1.745 -1.402) 3.965 9.359 ( -3.273 -1.745 1.402) 3.965 9.546 ( -2.010 1.160 -0.965) 2.513 9.546 ( -2.010 1.160 0.965) 2.513 9.718 ( -0.947 -1.767 -1.277) 2.377 9.718 ( -0.947 -1.767 1.278) 2.377 10.104 ( -10.194 4.817 -2.819) 11.622 10.104 ( -10.194 4.817 2.819) 11.622 10.223 ( -8.596 -7.152 -4.317) 11.986 10.223 ( -8.596 -7.152 4.317) 11.986 10.489 ( -1.490 4.295 -3.714) 5.870 10.489 ( -1.490 4.295 3.714) 5.870 10.835 ( -4.645 -1.395 -4.333) 6.504 10.835 ( -4.645 -1.395 4.333) 6.504 12.430 ( 8.433 1.032 -3.591) 9.224 12.430 ( 8.433 1.032 3.591) 9.224 12.659 ( 5.770 -1.451 -2.991) 6.660 12.659 ( 5.770 -1.451 2.991) 6.660 12.940 ( -2.489 2.577 -1.423) 3.855 12.940 ( -2.489 2.577 1.423) 3.855 13.047 ( 1.766 -4.032 -1.175) 4.556 13.047 ( 1.766 -4.032 1.175) 4.556 13.226 ( -0.056 4.658 -5.003) 6.836 13.226 ( -0.056 4.658 5.003) 6.836 13.332 ( -2.285 -4.326 -4.982) 6.983 13.332 ( -2.285 -4.326 4.982) 6.983 13.840 ( -0.686 8.245 -3.677) 9.054 13.840 ( -0.686 8.245 3.677) 9.054 14.009 ( 0.278 -7.518 -3.823) 8.438 14.009 ( 0.278 -7.518 3.823) 8.438 15.049 ( 2.125 5.686 -3.894) 7.212 15.049 ( 2.125 5.686 3.894) 7.212 15.349 ( 3.089 -8.427 -2.913) 9.436 15.349 ( 3.089 -8.427 2.913) 9.436 15.665 ( 10.720 4.006 -1.077) 11.494 15.665 ( 10.720 4.006 1.077) 11.494 16.501 ( -6.057 -0.783 -0.878) 6.170 16.501 ( -6.057 -0.783 0.878) 6.170 16.586 ( 7.995 1.203 -0.551) 8.104 16.586 ( 7.995 1.203 0.551) 8.104 16.863 ( 1.116 -1.471 -1.835) 2.603 16.863 ( 1.116 -1.471 1.835) 2.603 17.399 ( -6.171 3.824 -1.611) 7.436 17.399 ( -6.171 3.824 1.611) 7.436 17.534 ( -6.085 -3.128 -1.736) 7.059 17.534 ( -6.085 -3.128 1.736) 7.059 23.831 ( 1.503 4.482 -1.363) 4.920 23.831 ( 1.503 4.482 1.363) 4.920 23.995 ( -0.394 -5.247 -0.491) 5.285 23.995 ( -0.394 -5.247 0.491) 5.285 24.915 ( 0.656 0.893 -1.842) 2.150 24.915 ( 0.656 0.893 1.842) 2.150 24.958 ( -0.868 -0.857 -2.940) 3.182 24.958 ( -0.868 -0.857 2.940) 3.182 25.077 ( 1.689 0.866 -1.283) 2.291 25.077 ( 1.689 0.866 1.283) 2.291 25.134 ( 0.712 -0.819 -1.051) 1.511 25.134 ( 0.712 -0.819 1.051) 1.511 25.223 ( 0.714 3.162 -0.984) 3.388 25.223 ( 0.714 3.162 0.984) 3.388 25.320 ( -1.056 -2.501 -1.591) 3.146 25.320 ( -1.056 -2.501 1.591) 3.146 27.125 ( 2.436 1.663 -2.262) 3.717 27.125 ( 2.436 1.663 2.262) 3.717 27.224 ( 3.307 -2.689 -1.492) 4.516 27.224 ( 3.307 -2.689 1.492) 4.516 27.326 ( -0.042 1.176 -1.503) 1.908 27.326 ( -0.042 1.176 1.503) 1.908 27.653 ( -5.729 -0.099 -2.197) 6.137 27.653 ( -5.729 -0.099 2.197) 6.137 28.695 ( 5.941 0.197 -2.457) 6.432 28.695 ( 5.941 0.197 2.457) 6.432 28.726 ( 6.039 -0.356 -2.427) 6.519 28.726 ( 6.039 -0.356 2.427) 6.519 30.290 ( -7.612 1.775 -2.925) 8.345 30.290 ( -7.612 1.775 2.925) 8.345 30.559 ( -14.637 -1.616 -2.231) 14.894 30.559 ( -14.637 -1.616 2.231) 14.894 ======================= Grid point 104 (40/40) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -5.149 4.368 -6.016) 9.044 1.949 ( -5.149 4.368 6.016) 9.044 2.052 ( -3.919 -4.377 -4.857) 7.623 2.052 ( -3.919 -4.377 4.857) 7.623 2.515 ( 2.624 3.743 -2.815) 5.368 2.515 ( 2.624 3.743 2.815) 5.368 2.562 ( 1.038 -0.023 -2.762) 2.951 2.562 ( 1.038 -0.023 2.762) 2.951 2.678 ( 12.398 0.269 -2.332) 12.618 2.678 ( 12.398 0.269 2.332) 12.618 2.795 ( 2.699 -3.923 -1.358) 4.951 2.795 ( 2.699 -3.923 1.358) 4.951 2.946 ( 0.513 1.403 -0.834) 1.711 2.946 ( 0.513 1.403 0.834) 1.711 3.057 ( -5.838 0.779 -2.318) 6.329 3.057 ( -5.838 0.779 2.318) 6.329 3.127 ( -2.897 3.784 -2.382) 5.328 3.127 ( -2.897 3.784 2.382) 5.328 3.201 ( -2.301 0.341 -0.947) 2.512 3.201 ( -2.301 0.341 0.947) 2.512 3.400 ( -0.952 1.381 -1.197) 2.061 3.400 ( -0.952 1.381 1.197) 2.061 3.515 ( -2.473 -8.039 -0.516) 8.426 3.515 ( -2.473 -8.039 0.516) 8.426 3.817 ( 2.106 4.072 -0.981) 4.688 3.817 ( 2.106 4.072 0.981) 4.688 3.894 ( -0.899 -1.798 -1.323) 2.407 3.894 ( -0.899 -1.798 1.323) 2.407 4.207 ( -1.264 -0.485 -1.329) 1.897 4.207 ( -1.264 -0.485 1.329) 1.897 4.244 ( -1.700 -2.431 -1.506) 3.326 4.244 ( -1.700 -2.431 1.506) 3.326 4.802 ( 8.324 0.506 -0.423) 8.350 4.802 ( 8.324 0.506 0.423) 8.350 4.890 ( 0.832 -0.923 -0.748) 1.450 4.890 ( 0.832 -0.923 0.748) 1.450 5.019 ( 3.148 2.076 -1.718) 4.144 5.019 ( 3.148 2.076 1.718) 4.144 5.060 ( -1.088 0.370 -2.030) 2.332 5.060 ( -1.088 0.370 2.030) 2.332 5.236 ( 2.501 -0.016 -0.854) 2.643 5.236 ( 2.501 -0.016 0.854) 2.643 5.321 ( -3.381 0.950 -0.246) 3.521 5.321 ( -3.381 0.950 0.246) 3.521 5.431 ( -0.166 3.621 -2.127) 4.202 5.431 ( -0.166 3.621 2.127) 4.202 5.525 ( -0.796 -4.791 -1.672) 5.136 5.525 ( -0.796 -4.791 1.672) 5.136 5.875 ( 2.508 0.447 -0.263) 2.561 5.875 ( 2.508 0.447 0.263) 2.561 5.944 ( -1.531 -1.857 -0.588) 2.477 5.944 ( -1.531 -1.857 0.588) 2.477 6.204 ( 4.966 3.164 -1.525) 6.082 6.204 ( 4.966 3.164 1.525) 6.082 6.286 ( 6.606 -4.045 -2.293) 8.078 6.286 ( 6.606 -4.045 2.293) 8.078 6.494 ( -3.084 3.888 -2.421) 5.522 6.494 ( -3.084 3.888 2.421) 5.522 6.568 ( -2.967 -0.192 -1.815) 3.484 6.568 ( -2.967 -0.192 1.815) 3.484 6.725 ( 5.210 1.962 -0.644) 5.604 6.725 ( 5.210 1.962 0.644) 5.604 6.934 ( -4.996 -6.202 -1.307) 8.071 6.934 ( -4.996 -6.202 1.307) 8.071 7.298 ( 1.391 4.820 -1.530) 5.245 7.298 ( 1.391 4.820 1.530) 5.245 7.388 ( -0.933 -1.365 -1.546) 2.263 7.388 ( -0.933 -1.365 1.546) 2.263 7.648 ( 6.734 -0.716 -0.376) 6.783 7.648 ( 6.734 -0.716 0.376) 6.783 7.685 ( 2.795 -0.019 -1.899) 3.379 7.685 ( 2.795 -0.019 1.899) 3.379 7.923 ( 2.175 -1.826 -2.716) 3.930 7.923 ( 2.175 -1.826 2.716) 3.930 8.005 ( -4.260 -1.708 -1.081) 4.715 8.005 ( -4.260 -1.708 1.081) 4.715 8.327 ( -2.611 10.769 -1.561) 11.190 8.327 ( -2.611 10.769 1.561) 11.190 8.536 ( -4.116 -8.534 -1.977) 9.679 8.536 ( -4.116 -8.534 1.977) 9.679 8.748 ( 3.822 1.993 -1.053) 4.438 8.748 ( 3.822 1.993 1.053) 4.438 8.806 ( 5.505 -1.117 -0.427) 5.633 8.806 ( 5.505 -1.117 0.427) 5.633 8.857 ( 6.326 0.747 -0.489) 6.389 8.857 ( 6.326 0.747 0.489) 6.389 9.079 ( -9.146 0.977 -0.806) 9.234 9.079 ( -9.146 0.977 0.806) 9.234 9.146 ( -8.636 3.567 -1.401) 9.448 9.146 ( -8.636 3.567 1.401) 9.448 9.268 ( -2.391 -7.469 -1.439) 7.974 9.268 ( -2.391 -7.469 1.439) 7.974 9.554 ( 2.108 5.515 -0.646) 5.940 9.554 ( 2.108 5.515 0.646) 5.940 9.681 ( -2.230 -3.036 -1.012) 3.900 9.681 ( -2.230 -3.036 1.012) 3.900 9.939 ( -4.628 6.923 -1.593) 8.478 9.939 ( -4.628 6.923 1.593) 8.478 10.107 ( -2.883 -10.382 -2.271) 11.011 10.107 ( -2.883 -10.382 2.271) 11.011 10.518 ( 3.352 7.518 -2.746) 8.677 10.518 ( 3.352 7.518 2.746) 8.677 10.721 ( -5.389 -3.793 -2.926) 7.211 10.721 ( -5.389 -3.793 2.926) 7.211 12.602 ( 7.466 1.531 -2.527) 8.029 12.602 ( 7.466 1.531 2.527) 8.029 12.747 ( -0.571 -3.379 -2.202) 4.074 12.747 ( -0.571 -3.379 2.202) 4.074 12.909 ( 2.418 3.152 -1.811) 4.366 12.909 ( 2.418 3.152 1.811) 4.366 13.036 ( -3.488 -2.034 -1.602) 4.344 13.036 ( -3.488 -2.034 1.602) 4.344 13.214 ( -0.212 3.808 -2.784) 4.722 13.214 ( -0.212 3.808 2.784) 4.722 13.297 ( -0.974 -4.656 -2.642) 5.441 13.297 ( -0.974 -4.656 2.642) 5.441 13.831 ( -0.193 8.929 -1.438) 9.046 13.831 ( -0.193 8.929 1.438) 9.046 14.008 ( -0.132 -8.529 -1.301) 8.629 14.008 ( -0.132 -8.529 1.301) 8.629 15.092 ( 1.577 10.052 -1.639) 10.307 15.092 ( 1.577 10.052 1.639) 10.307 15.352 ( -0.967 -12.839 -1.051) 12.918 15.352 ( -0.967 -12.839 1.051) 12.918 15.952 ( 14.415 6.458 -1.299) 15.849 15.952 ( 14.415 6.458 1.299) 15.849 16.310 ( -11.352 -3.058 -1.043) 11.802 16.310 ( -11.352 -3.058 1.043) 11.802 16.740 ( 5.782 3.168 -0.420) 6.606 16.740 ( 5.782 3.168 0.420) 6.606 16.878 ( -0.377 -4.119 -0.845) 4.222 16.878 ( -0.377 -4.119 0.845) 4.222 17.296 ( -3.056 6.939 -0.945) 7.641 17.296 ( -3.056 6.939 0.945) 7.641 17.433 ( -3.084 -5.397 -0.860) 6.275 17.433 ( -3.084 -5.397 0.860) 6.275 23.856 ( 0.745 5.580 -0.545) 5.656 23.856 ( 0.745 5.580 0.545) 5.656 23.987 ( -0.263 -6.290 -0.230) 6.299 23.987 ( -0.263 -6.290 0.230) 6.299 24.927 ( 0.466 0.552 -0.719) 1.019 24.927 ( 0.466 0.552 0.719) 1.019 24.945 ( -0.428 -0.906 -1.756) 2.022 24.945 ( -0.428 -0.906 1.756) 2.022 25.112 ( 1.526 1.473 -1.210) 2.442 25.112 ( 1.526 1.473 1.210) 2.442 25.138 ( -0.428 0.319 -0.894) 1.041 25.138 ( -0.428 0.319 0.894) 1.041 25.238 ( 0.710 1.899 -0.255) 2.044 25.238 ( 0.710 1.899 0.255) 2.044 25.296 ( -1.030 -2.662 -1.080) 3.051 25.296 ( -1.030 -2.662 1.080) 3.051 27.180 ( 2.781 0.919 -2.440) 3.812 27.180 ( 2.781 0.919 2.440) 3.812 27.235 ( -1.868 -0.543 -2.515) 3.180 27.235 ( -1.868 -0.543 2.515) 3.180 27.390 ( 5.784 -0.007 -1.960) 6.107 27.390 ( 5.784 -0.007 1.960) 6.107 27.523 ( -6.729 -0.304 -2.384) 7.145 27.523 ( -6.729 -0.304 2.384) 7.145 28.797 ( 3.168 0.957 -1.774) 3.755 28.797 ( 3.168 0.957 1.774) 3.755 28.826 ( 2.980 -1.254 -1.762) 3.682 28.826 ( 2.980 -1.254 1.762) 3.682 30.175 ( -2.785 4.167 -1.800) 5.325 30.175 ( -2.785 4.167 1.800) 5.325 30.312 ( -7.818 -3.862 -1.606) 8.866 30.312 ( -7.818 -3.862 1.606) 8.866 =================== 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 3/28224 10.0 383.945 507.413 399.992 0.000 0.000 0.000 3/28224 20.0 107.832 93.060 132.127 0.000 0.000 0.000 3/28224 30.0 48.095 40.501 61.107 0.000 0.000 0.000 3/28224 40.0 29.163 23.675 36.428 0.000 0.000 0.000 3/28224 50.0 20.196 15.959 24.765 0.000 0.000 0.000 3/28224 60.0 15.110 11.725 18.267 0.000 0.000 0.000 3/28224 70.0 11.923 9.140 14.259 0.000 0.000 0.000 3/28224 80.0 9.787 7.441 11.603 0.000 0.000 0.000 3/28224 90.0 8.279 6.260 9.745 0.000 0.000 0.000 3/28224 100.0 7.169 5.401 8.389 0.000 0.000 0.000 3/28224 110.0 6.324 4.752 7.363 0.000 0.000 0.000 3/28224 120.0 5.662 4.248 6.565 0.000 0.000 0.000 3/28224 130.0 5.131 3.846 5.928 0.000 0.000 0.000 3/28224 140.0 4.695 3.517 5.411 0.000 0.000 0.000 3/28224 150.0 4.332 3.244 4.982 0.000 0.000 0.000 3/28224 160.0 4.025 3.014 4.621 0.000 0.000 0.000 3/28224 170.0 3.761 2.817 4.313 0.000 0.000 0.000 3/28224 180.0 3.532 2.646 4.048 0.000 0.000 0.000 3/28224 190.0 3.332 2.496 3.816 0.000 0.000 0.000 3/28224 200.0 3.154 2.364 3.612 0.000 0.000 0.000 3/28224 210.0 2.996 2.247 3.430 0.000 0.000 0.000 3/28224 220.0 2.854 2.141 3.268 0.000 0.000 0.000 3/28224 230.0 2.726 2.046 3.122 0.000 0.000 0.000 3/28224 240.0 2.609 1.959 2.990 0.000 0.000 0.000 3/28224 250.0 2.503 1.880 2.869 0.000 0.000 0.000 3/28224 260.0 2.406 1.808 2.759 0.000 0.000 0.000 3/28224 270.0 2.316 1.741 2.658 0.000 0.000 0.000 3/28224 280.0 2.234 1.680 2.564 0.000 0.000 0.000 3/28224 290.0 2.157 1.623 2.477 0.000 0.000 0.000 3/28224 300.0 2.086 1.570 2.397 0.000 0.000 0.000 3/28224 310.0 2.019 1.520 2.322 0.000 0.000 0.000 3/28224 320.0 1.957 1.474 2.252 0.000 0.000 0.000 3/28224 330.0 1.899 1.431 2.186 0.000 0.000 0.000 3/28224 340.0 1.844 1.390 2.124 0.000 0.000 0.000 3/28224 350.0 1.792 1.351 2.066 0.000 0.000 0.000 3/28224 360.0 1.744 1.315 2.011 0.000 0.000 0.000 3/28224 370.0 1.698 1.281 1.959 0.000 0.000 0.000 3/28224 380.0 1.654 1.248 1.909 0.000 0.000 0.000 3/28224 390.0 1.613 1.217 1.863 0.000 0.000 0.000 3/28224 400.0 1.574 1.188 1.818 0.000 0.000 0.000 3/28224 410.0 1.537 1.160 1.776 0.000 0.000 0.000 3/28224 420.0 1.501 1.134 1.736 0.000 0.000 0.000 3/28224 430.0 1.467 1.108 1.697 0.000 0.000 0.000 3/28224 440.0 1.435 1.084 1.661 0.000 0.000 0.000 3/28224 450.0 1.404 1.061 1.626 0.000 0.000 0.000 3/28224 460.0 1.375 1.039 1.592 0.000 0.000 0.000 3/28224 470.0 1.346 1.017 1.560 0.000 0.000 0.000 3/28224 480.0 1.319 0.997 1.529 0.000 0.000 0.000 3/28224 490.0 1.293 0.977 1.499 0.000 0.000 0.000 3/28224 500.0 1.268 0.959 1.471 0.000 0.000 0.000 3/28224 510.0 1.244 0.941 1.443 0.000 0.000 0.000 3/28224 520.0 1.221 0.923 1.417 0.000 0.000 0.000 3/28224 530.0 1.199 0.906 1.391 0.000 0.000 0.000 3/28224 540.0 1.177 0.890 1.367 0.000 0.000 0.000 3/28224 550.0 1.156 0.875 1.343 0.000 0.000 0.000 3/28224 560.0 1.136 0.860 1.320 0.000 0.000 0.000 3/28224 570.0 1.117 0.845 1.298 0.000 0.000 0.000 3/28224 580.0 1.098 0.831 1.277 0.000 0.000 0.000 3/28224 590.0 1.080 0.817 1.256 0.000 0.000 0.000 3/28224 600.0 1.063 0.804 1.236 0.000 0.000 0.000 3/28224 610.0 1.046 0.792 1.217 0.000 0.000 0.000 3/28224 620.0 1.030 0.779 1.198 0.000 0.000 0.000 3/28224 630.0 1.014 0.767 1.179 0.000 0.000 0.000 3/28224 640.0 0.998 0.756 1.162 0.000 0.000 0.000 3/28224 650.0 0.983 0.744 1.145 0.000 0.000 0.000 3/28224 660.0 0.969 0.733 1.128 0.000 0.000 0.000 3/28224 670.0 0.955 0.723 1.112 0.000 0.000 0.000 3/28224 680.0 0.941 0.713 1.096 0.000 0.000 0.000 3/28224 690.0 0.928 0.703 1.081 0.000 0.000 0.000 3/28224 700.0 0.915 0.693 1.066 0.000 0.000 0.000 3/28224 710.0 0.902 0.683 1.052 0.000 0.000 0.000 3/28224 720.0 0.890 0.674 1.037 0.000 0.000 0.000 3/28224 730.0 0.878 0.665 1.024 0.000 0.000 0.000 3/28224 740.0 0.867 0.656 1.010 0.000 0.000 0.000 3/28224 750.0 0.856 0.648 0.997 0.000 0.000 0.000 3/28224 760.0 0.845 0.640 0.985 0.000 0.000 0.000 3/28224 770.0 0.834 0.632 0.972 0.000 0.000 0.000 3/28224 780.0 0.823 0.624 0.960 0.000 0.000 0.000 3/28224 790.0 0.813 0.616 0.949 0.000 0.000 0.000 3/28224 800.0 0.803 0.608 0.937 0.000 0.000 0.000 3/28224 810.0 0.794 0.601 0.926 0.000 0.000 0.000 3/28224 820.0 0.784 0.594 0.915 0.000 0.000 0.000 3/28224 830.0 0.775 0.587 0.904 0.000 0.000 0.000 3/28224 840.0 0.766 0.580 0.894 0.000 0.000 0.000 3/28224 850.0 0.757 0.574 0.884 0.000 0.000 0.000 3/28224 860.0 0.749 0.567 0.874 0.000 0.000 0.000 3/28224 870.0 0.740 0.561 0.864 0.000 0.000 0.000 3/28224 880.0 0.732 0.554 0.854 0.000 0.000 0.000 3/28224 890.0 0.724 0.548 0.845 0.000 0.000 0.000 3/28224 900.0 0.716 0.542 0.836 0.000 0.000 0.000 3/28224 910.0 0.708 0.537 0.827 0.000 0.000 0.000 3/28224 920.0 0.701 0.531 0.818 0.000 0.000 0.000 3/28224 930.0 0.693 0.525 0.810 0.000 0.000 0.000 3/28224 940.0 0.686 0.520 0.801 0.000 0.000 0.000 3/28224 950.0 0.679 0.514 0.793 0.000 0.000 0.000 3/28224 960.0 0.672 0.509 0.785 0.000 0.000 0.000 3/28224 970.0 0.665 0.504 0.777 0.000 0.000 0.000 3/28224 980.0 0.659 0.499 0.769 0.000 0.000 0.000 3/28224 990.0 0.652 0.494 0.762 0.000 0.000 0.000 3/28224 1000.0 0.646 0.489 0.754 0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m738.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:48:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|