----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:55:18]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518190560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.488512940000000 Atomic positions (fractional): *1 P 0.64969411367324 0.25000000000000 0.12583078821381 30.974 2 P 0.85030588632676 0.75000000000000 0.62583078821381 30.974 3 P 0.14969411367324 0.25000000000000 0.37416921178619 30.974 4 P 0.35030588632676 0.75000000000000 0.87416921178619 30.974 *5 S 0.75057712833781 0.99983761026034 0.63498445908678 32.065 6 S 0.24942287166219 0.49983761026034 0.36501554091322 32.065 7 S 0.74942287166219 0.00016238973966 0.13498445908678 32.065 8 S 0.25057712833781 0.50016238973966 0.86501554091322 32.065 9 S 0.74942287166219 0.49983761026034 0.13498445908678 32.065 10 S 0.24942287166219 0.00016238973966 0.36501554091322 32.065 11 S 0.25057712833781 0.99983761026034 0.86501554091322 32.065 12 S 0.75057712833781 0.50016238973966 0.63498445908678 32.065 *13 S 0.44568673621536 0.75000000000000 0.67976142011495 32.065 14 S 0.55431326378464 0.25000000000000 0.32023857988505 32.065 15 S 0.05431326378464 0.25000000000000 0.17976142011495 32.065 16 S 0.94568673621536 0.75000000000000 0.82023857988505 32.065 *17 S 0.43310745644347 0.75000000000000 0.08192404019599 32.065 18 S 0.56689254355653 0.25000000000000 0.91807595980401 32.065 19 S 0.06689254355653 0.25000000000000 0.58192404019599 32.065 20 S 0.93310745644347 0.75000000000000 0.41807595980401 32.065 *21 Sr 0.13444839371967 0.75000000000000 0.61137201158487 87.620 22 Sr 0.86555160628033 0.25000000000000 0.38862798841513 87.620 23 Sr 0.36555160628033 0.25000000000000 0.11137201158487 87.620 24 Sr 0.63444839371967 0.75000000000000 0.88862798841513 87.620 *25 Tl 0.88985128874696 0.25000000000000 0.87554179950939 204.383 26 Tl 0.11014871125304 0.75000000000000 0.12445820049061 204.383 27 Tl 0.61014871125304 0.75000000000000 0.37554179950939 204.383 28 Tl 0.38985128874696 0.25000000000000 0.62445820049061 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518190560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.488512940000000 Atomic positions (fractional): *1 P 0.64969411367324 0.25000000000000 0.12583078821381 30.974 > 1 2 P 0.85030588632676 0.75000000000000 0.62583078821381 30.974 > 2 3 P 0.14969411367324 0.25000000000000 0.37416921178619 30.974 > 3 4 P 0.35030588632676 0.75000000000000 0.87416921178619 30.974 > 4 *5 S 0.75057712833781 0.99983761026034 0.63498445908678 32.065 > 5 6 S 0.24942287166219 0.49983761026034 0.36501554091322 32.065 > 6 7 S 0.74942287166219 0.00016238973966 0.13498445908678 32.065 > 7 8 S 0.25057712833781 0.50016238973966 0.86501554091322 32.065 > 8 9 S 0.74942287166219 0.49983761026034 0.13498445908678 32.065 > 9 10 S 0.24942287166219 0.00016238973966 0.36501554091322 32.065 > 10 11 S 0.25057712833781 0.99983761026034 0.86501554091322 32.065 > 11 12 S 0.75057712833781 0.50016238973966 0.63498445908678 32.065 > 12 *13 S 0.44568673621536 0.75000000000000 0.67976142011495 32.065 > 13 14 S 0.55431326378464 0.25000000000000 0.32023857988505 32.065 > 14 15 S 0.05431326378464 0.25000000000000 0.17976142011495 32.065 > 15 16 S 0.94568673621536 0.75000000000000 0.82023857988505 32.065 > 16 *17 S 0.43310745644347 0.75000000000000 0.08192404019599 32.065 > 17 18 S 0.56689254355653 0.25000000000000 0.91807595980401 32.065 > 18 19 S 0.06689254355653 0.25000000000000 0.58192404019599 32.065 > 19 20 S 0.93310745644347 0.75000000000000 0.41807595980401 32.065 > 20 *21 Sr 0.13444839371967 0.75000000000000 0.61137201158487 87.620 > 21 22 Sr 0.86555160628033 0.25000000000000 0.38862798841513 87.620 > 22 23 Sr 0.36555160628033 0.25000000000000 0.11137201158487 87.620 > 23 24 Sr 0.63444839371967 0.75000000000000 0.88862798841513 87.620 > 24 *25 Tl 0.88985128874696 0.25000000000000 0.87554179950939 204.383 > 25 26 Tl 0.11014871125304 0.75000000000000 0.12445820049061 204.383 > 26 27 Tl 0.61014871125304 0.75000000000000 0.37554179950939 204.383 > 27 28 Tl 0.38985128874696 0.25000000000000 0.62445820049061 204.383 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036381120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 16.977025879999999 Atomic positions (fractional): *1 P 0.64969411367324 0.12500000000000 0.06291539410690 30.974 > 1 2 P 0.64969411367324 0.62500000000000 0.06291539410690 30.974 > 1 3 P 0.64969411367324 0.12500000000000 0.56291539410690 30.974 > 1 4 P 0.64969411367324 0.62500000000000 0.56291539410690 30.974 > 1 5 P 0.85030588632676 0.37500000000000 0.31291539410690 30.974 > 2 6 P 0.85030588632676 0.87500000000000 0.31291539410690 30.974 > 2 7 P 0.85030588632676 0.37500000000000 0.81291539410690 30.974 > 2 8 P 0.85030588632676 0.87500000000000 0.81291539410690 30.974 > 2 9 P 0.14969411367324 0.12500000000000 0.18708460589310 30.974 > 3 10 P 0.14969411367324 0.62500000000000 0.18708460589310 30.974 > 3 11 P 0.14969411367324 0.12500000000000 0.68708460589310 30.974 > 3 12 P 0.14969411367324 0.62500000000000 0.68708460589310 30.974 > 3 13 P 0.35030588632676 0.37500000000000 0.43708460589310 30.974 > 4 14 P 0.35030588632676 0.87500000000000 0.43708460589310 30.974 > 4 15 P 0.35030588632676 0.37500000000000 0.93708460589310 30.974 > 4 16 P 0.35030588632676 0.87500000000000 0.93708460589310 30.974 > 4 *17 S 0.75057712833781 0.49991880513017 0.31749222954339 32.065 > 5 18 S 0.75057712833781 0.99991880513017 0.31749222954339 32.065 > 5 19 S 0.75057712833781 0.49991880513017 0.81749222954339 32.065 > 5 20 S 0.75057712833781 0.99991880513017 0.81749222954339 32.065 > 5 21 S 0.24942287166219 0.24991880513017 0.18250777045661 32.065 > 6 22 S 0.24942287166219 0.74991880513017 0.18250777045661 32.065 > 6 23 S 0.24942287166219 0.24991880513017 0.68250777045661 32.065 > 6 24 S 0.24942287166219 0.74991880513017 0.68250777045661 32.065 > 6 25 S 0.74942287166219 0.00008119486983 0.06749222954339 32.065 > 7 26 S 0.74942287166219 0.50008119486983 0.06749222954339 32.065 > 7 27 S 0.74942287166219 0.00008119486983 0.56749222954339 32.065 > 7 28 S 0.74942287166219 0.50008119486983 0.56749222954339 32.065 > 7 29 S 0.25057712833781 0.25008119486983 0.43250777045661 32.065 > 8 30 S 0.25057712833781 0.75008119486983 0.43250777045661 32.065 > 8 31 S 0.25057712833781 0.25008119486983 0.93250777045661 32.065 > 8 32 S 0.25057712833781 0.75008119486983 0.93250777045661 32.065 > 8 33 S 0.74942287166219 0.24991880513017 0.06749222954339 32.065 > 9 34 S 0.74942287166219 0.74991880513017 0.06749222954339 32.065 > 9 35 S 0.74942287166219 0.24991880513017 0.56749222954339 32.065 > 9 36 S 0.74942287166219 0.74991880513017 0.56749222954339 32.065 > 9 37 S 0.24942287166219 0.00008119486983 0.18250777045661 32.065 > 10 38 S 0.24942287166219 0.50008119486983 0.18250777045661 32.065 > 10 39 S 0.24942287166219 0.00008119486983 0.68250777045661 32.065 > 10 40 S 0.24942287166219 0.50008119486983 0.68250777045661 32.065 > 10 41 S 0.25057712833781 0.49991880513017 0.43250777045661 32.065 > 11 42 S 0.25057712833781 0.99991880513017 0.43250777045661 32.065 > 11 43 S 0.25057712833781 0.49991880513017 0.93250777045661 32.065 > 11 44 S 0.25057712833781 0.99991880513017 0.93250777045661 32.065 > 11 45 S 0.75057712833781 0.25008119486983 0.31749222954339 32.065 > 12 46 S 0.75057712833781 0.75008119486983 0.31749222954339 32.065 > 12 47 S 0.75057712833781 0.25008119486983 0.81749222954339 32.065 > 12 48 S 0.75057712833781 0.75008119486983 0.81749222954339 32.065 > 12 *49 S 0.44568673621536 0.37500000000000 0.33988071005747 32.065 > 13 50 S 0.44568673621536 0.87500000000000 0.33988071005747 32.065 > 13 51 S 0.44568673621536 0.37500000000000 0.83988071005747 32.065 > 13 52 S 0.44568673621536 0.87500000000000 0.83988071005747 32.065 > 13 53 S 0.55431326378464 0.12500000000000 0.16011928994253 32.065 > 14 54 S 0.55431326378464 0.62500000000000 0.16011928994253 32.065 > 14 55 S 0.55431326378464 0.12500000000000 0.66011928994253 32.065 > 14 56 S 0.55431326378464 0.62500000000000 0.66011928994253 32.065 > 14 57 S 0.05431326378464 0.12500000000000 0.08988071005747 32.065 > 15 58 S 0.05431326378464 0.62500000000000 0.08988071005747 32.065 > 15 59 S 0.05431326378464 0.12500000000000 0.58988071005747 32.065 > 15 60 S 0.05431326378464 0.62500000000000 0.58988071005747 32.065 > 15 61 S 0.94568673621536 0.37500000000000 0.41011928994253 32.065 > 16 62 S 0.94568673621536 0.87500000000000 0.41011928994253 32.065 > 16 63 S 0.94568673621536 0.37500000000000 0.91011928994253 32.065 > 16 64 S 0.94568673621536 0.87500000000000 0.91011928994253 32.065 > 16 *65 S 0.43310745644347 0.37500000000000 0.04096202009800 32.065 > 17 66 S 0.43310745644347 0.87500000000000 0.04096202009800 32.065 > 17 67 S 0.43310745644347 0.37500000000000 0.54096202009800 32.065 > 17 68 S 0.43310745644347 0.87500000000000 0.54096202009800 32.065 > 17 69 S 0.56689254355653 0.12500000000000 0.45903797990200 32.065 > 18 70 S 0.56689254355653 0.62500000000000 0.45903797990200 32.065 > 18 71 S 0.56689254355653 0.12500000000000 0.95903797990200 32.065 > 18 72 S 0.56689254355653 0.62500000000000 0.95903797990200 32.065 > 18 73 S 0.06689254355653 0.12500000000000 0.29096202009800 32.065 > 19 74 S 0.06689254355653 0.62500000000000 0.29096202009800 32.065 > 19 75 S 0.06689254355653 0.12500000000000 0.79096202009800 32.065 > 19 76 S 0.06689254355653 0.62500000000000 0.79096202009800 32.065 > 19 77 S 0.93310745644347 0.37500000000000 0.20903797990200 32.065 > 20 78 S 0.93310745644347 0.87500000000000 0.20903797990200 32.065 > 20 79 S 0.93310745644347 0.37500000000000 0.70903797990200 32.065 > 20 80 S 0.93310745644347 0.87500000000000 0.70903797990200 32.065 > 20 *81 Sr 0.13444839371967 0.37500000000000 0.30568600579244 87.620 > 21 82 Sr 0.13444839371967 0.87500000000000 0.30568600579244 87.620 > 21 83 Sr 0.13444839371967 0.37500000000000 0.80568600579244 87.620 > 21 84 Sr 0.13444839371967 0.87500000000000 0.80568600579244 87.620 > 21 85 Sr 0.86555160628033 0.12500000000000 0.19431399420756 87.620 > 22 86 Sr 0.86555160628033 0.62500000000000 0.19431399420756 87.620 > 22 87 Sr 0.86555160628033 0.12500000000000 0.69431399420756 87.620 > 22 88 Sr 0.86555160628033 0.62500000000000 0.69431399420756 87.620 > 22 89 Sr 0.36555160628033 0.12500000000000 0.05568600579244 87.620 > 23 90 Sr 0.36555160628033 0.62500000000000 0.05568600579244 87.620 > 23 91 Sr 0.36555160628033 0.12500000000000 0.55568600579244 87.620 > 23 92 Sr 0.36555160628033 0.62500000000000 0.55568600579244 87.620 > 23 93 Sr 0.63444839371967 0.37500000000000 0.44431399420756 87.620 > 24 94 Sr 0.63444839371967 0.87500000000000 0.44431399420756 87.620 > 24 95 Sr 0.63444839371967 0.37500000000000 0.94431399420756 87.620 > 24 96 Sr 0.63444839371967 0.87500000000000 0.94431399420756 87.620 > 24 *97 Tl 0.88985128874696 0.12500000000000 0.43777089975470 204.383 > 25 98 Tl 0.88985128874696 0.62500000000000 0.43777089975470 204.383 > 25 99 Tl 0.88985128874696 0.12500000000000 0.93777089975469 204.383 > 25 100 Tl 0.88985128874696 0.62500000000000 0.93777089975469 204.383 > 25 101 Tl 0.11014871125304 0.37500000000000 0.06222910024531 204.383 > 26 102 Tl 0.11014871125304 0.87500000000000 0.06222910024531 204.383 > 26 103 Tl 0.11014871125304 0.37500000000000 0.56222910024531 204.383 > 26 104 Tl 0.11014871125304 0.87500000000000 0.56222910024531 204.383 > 26 105 Tl 0.61014871125304 0.37500000000000 0.18777089975469 204.383 > 27 106 Tl 0.61014871125304 0.87500000000000 0.18777089975469 204.383 > 27 107 Tl 0.61014871125304 0.37500000000000 0.68777089975469 204.383 > 27 108 Tl 0.61014871125304 0.87500000000000 0.68777089975469 204.383 > 27 109 Tl 0.38985128874696 0.12500000000000 0.31222910024530 204.383 > 28 110 Tl 0.38985128874696 0.62500000000000 0.31222910024530 204.383 > 28 111 Tl 0.38985128874696 0.12500000000000 0.81222910024531 204.383 > 28 112 Tl 0.38985128874696 0.62500000000000 0.81222910024531 204.383 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4045718 0.0000000 0.0000000 0.0000000 6.3187256 0.0000000 0.0000000 0.0000000 5.9607472 -------------------------- Born effective charges -------------------------- 1 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 2 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 3 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 4 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 5 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 6 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 7 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 8 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 9 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 10 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 11 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 12 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 13 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 14 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 15 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 16 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 17 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 18 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 19 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 20 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 21 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 22 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 23 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 24 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 25 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 26 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 27 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 28 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 ---------------------------------------------------------------------------- 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: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1919 Number of blocks in projector: 1919 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 281 Use standard eigh solver. Tree of FC basis block matrices: - (1919, 1885), data: False |-- (281, 275), data: True |-- (281, 275), data: True |-- (281, 275), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.584 Solver_block: 200 / 480 - Time: 3.511 Solver_block: 300 / 480 - Time: 3.639 Solver_block: 400 / 480 - Time: 3.409 Solver_block: 480 / 480 - Time: 2.943 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.638 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1919 Number of blocks in projector: 1919 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 281 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 281 Use standard eigh solver. Tree of FC basis block matrices: - (1919, 1885), data: False |-- (281, 275), data: True |-- (281, 275), data: True |-- (281, 275), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:56:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:56:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518190560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.488512940000000 Atomic positions (fractional): 1 P 0.64969411367324 0.25000000000000 0.12583078821381 30.974 2 P 0.85030588632676 0.75000000000000 0.62583078821381 30.974 3 P 0.14969411367324 0.25000000000000 0.37416921178619 30.974 4 P 0.35030588632676 0.75000000000000 0.87416921178619 30.974 5 S 0.75057712833781 0.99983761026034 0.63498445908678 32.065 6 S 0.24942287166219 0.49983761026034 0.36501554091322 32.065 7 S 0.74942287166219 0.00016238973966 0.13498445908678 32.065 8 S 0.25057712833781 0.50016238973966 0.86501554091322 32.065 9 S 0.74942287166219 0.49983761026034 0.13498445908678 32.065 10 S 0.24942287166219 0.00016238973966 0.36501554091322 32.065 11 S 0.25057712833781 0.99983761026034 0.86501554091322 32.065 12 S 0.75057712833781 0.50016238973966 0.63498445908678 32.065 13 S 0.44568673621536 0.75000000000000 0.67976142011495 32.065 14 S 0.55431326378464 0.25000000000000 0.32023857988505 32.065 15 S 0.05431326378464 0.25000000000000 0.17976142011495 32.065 16 S 0.94568673621536 0.75000000000000 0.82023857988505 32.065 17 S 0.43310745644347 0.75000000000000 0.08192404019599 32.065 18 S 0.56689254355653 0.25000000000000 0.91807595980401 32.065 19 S 0.06689254355653 0.25000000000000 0.58192404019599 32.065 20 S 0.93310745644347 0.75000000000000 0.41807595980401 32.065 21 Sr 0.13444839371967 0.75000000000000 0.61137201158487 87.620 22 Sr 0.86555160628033 0.25000000000000 0.38862798841513 87.620 23 Sr 0.36555160628033 0.25000000000000 0.11137201158487 87.620 24 Sr 0.63444839371967 0.75000000000000 0.88862798841513 87.620 25 Tl 0.88985128874696 0.25000000000000 0.87554179950939 204.383 26 Tl 0.11014871125304 0.75000000000000 0.12445820049061 204.383 27 Tl 0.61014871125304 0.75000000000000 0.37554179950939 204.383 28 Tl 0.38985128874696 0.25000000000000 0.62445820049061 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036381120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 16.977025879999999 Atomic positions (fractional): 1 P 0.64969411367324 0.12500000000000 0.06291539410690 30.974 > 1 2 P 0.64969411367324 0.62500000000000 0.06291539410690 30.974 > 1 3 P 0.64969411367324 0.12500000000000 0.56291539410690 30.974 > 1 4 P 0.64969411367324 0.62500000000000 0.56291539410690 30.974 > 1 5 P 0.85030588632676 0.37500000000000 0.31291539410690 30.974 > 5 6 P 0.85030588632676 0.87500000000000 0.31291539410690 30.974 > 5 7 P 0.85030588632676 0.37500000000000 0.81291539410690 30.974 > 5 8 P 0.85030588632676 0.87500000000000 0.81291539410690 30.974 > 5 9 P 0.14969411367324 0.12500000000000 0.18708460589310 30.974 > 9 10 P 0.14969411367324 0.62500000000000 0.18708460589310 30.974 > 9 11 P 0.14969411367324 0.12500000000000 0.68708460589310 30.974 > 9 12 P 0.14969411367324 0.62500000000000 0.68708460589310 30.974 > 9 13 P 0.35030588632676 0.37500000000000 0.43708460589310 30.974 > 13 14 P 0.35030588632676 0.87500000000000 0.43708460589310 30.974 > 13 15 P 0.35030588632676 0.37500000000000 0.93708460589310 30.974 > 13 16 P 0.35030588632676 0.87500000000000 0.93708460589310 30.974 > 13 17 S 0.75057712833781 0.49991880513017 0.31749222954339 32.065 > 17 18 S 0.75057712833781 0.99991880513017 0.31749222954339 32.065 > 17 19 S 0.75057712833781 0.49991880513017 0.81749222954339 32.065 > 17 20 S 0.75057712833781 0.99991880513017 0.81749222954339 32.065 > 17 21 S 0.24942287166219 0.24991880513017 0.18250777045661 32.065 > 21 22 S 0.24942287166219 0.74991880513017 0.18250777045661 32.065 > 21 23 S 0.24942287166219 0.24991880513017 0.68250777045661 32.065 > 21 24 S 0.24942287166219 0.74991880513017 0.68250777045661 32.065 > 21 25 S 0.74942287166219 0.00008119486983 0.06749222954339 32.065 > 25 26 S 0.74942287166219 0.50008119486983 0.06749222954339 32.065 > 25 27 S 0.74942287166219 0.00008119486983 0.56749222954339 32.065 > 25 28 S 0.74942287166219 0.50008119486983 0.56749222954339 32.065 > 25 29 S 0.25057712833781 0.25008119486983 0.43250777045661 32.065 > 29 30 S 0.25057712833781 0.75008119486983 0.43250777045661 32.065 > 29 31 S 0.25057712833781 0.25008119486983 0.93250777045661 32.065 > 29 32 S 0.25057712833781 0.75008119486983 0.93250777045661 32.065 > 29 33 S 0.74942287166219 0.24991880513017 0.06749222954339 32.065 > 33 34 S 0.74942287166219 0.74991880513017 0.06749222954339 32.065 > 33 35 S 0.74942287166219 0.24991880513017 0.56749222954339 32.065 > 33 36 S 0.74942287166219 0.74991880513017 0.56749222954339 32.065 > 33 37 S 0.24942287166219 0.00008119486983 0.18250777045661 32.065 > 37 38 S 0.24942287166219 0.50008119486983 0.18250777045661 32.065 > 37 39 S 0.24942287166219 0.00008119486983 0.68250777045661 32.065 > 37 40 S 0.24942287166219 0.50008119486983 0.68250777045661 32.065 > 37 41 S 0.25057712833781 0.49991880513017 0.43250777045661 32.065 > 41 42 S 0.25057712833781 0.99991880513017 0.43250777045661 32.065 > 41 43 S 0.25057712833781 0.49991880513017 0.93250777045661 32.065 > 41 44 S 0.25057712833781 0.99991880513017 0.93250777045661 32.065 > 41 45 S 0.75057712833781 0.25008119486983 0.31749222954339 32.065 > 45 46 S 0.75057712833781 0.75008119486983 0.31749222954339 32.065 > 45 47 S 0.75057712833781 0.25008119486983 0.81749222954339 32.065 > 45 48 S 0.75057712833781 0.75008119486983 0.81749222954339 32.065 > 45 49 S 0.44568673621536 0.37500000000000 0.33988071005747 32.065 > 49 50 S 0.44568673621536 0.87500000000000 0.33988071005747 32.065 > 49 51 S 0.44568673621536 0.37500000000000 0.83988071005747 32.065 > 49 52 S 0.44568673621536 0.87500000000000 0.83988071005747 32.065 > 49 53 S 0.55431326378464 0.12500000000000 0.16011928994253 32.065 > 53 54 S 0.55431326378464 0.62500000000000 0.16011928994253 32.065 > 53 55 S 0.55431326378464 0.12500000000000 0.66011928994253 32.065 > 53 56 S 0.55431326378464 0.62500000000000 0.66011928994253 32.065 > 53 57 S 0.05431326378464 0.12500000000000 0.08988071005747 32.065 > 57 58 S 0.05431326378464 0.62500000000000 0.08988071005747 32.065 > 57 59 S 0.05431326378464 0.12500000000000 0.58988071005747 32.065 > 57 60 S 0.05431326378464 0.62500000000000 0.58988071005747 32.065 > 57 61 S 0.94568673621536 0.37500000000000 0.41011928994253 32.065 > 61 62 S 0.94568673621536 0.87500000000000 0.41011928994253 32.065 > 61 63 S 0.94568673621536 0.37500000000000 0.91011928994253 32.065 > 61 64 S 0.94568673621536 0.87500000000000 0.91011928994253 32.065 > 61 65 S 0.43310745644347 0.37500000000000 0.04096202009800 32.065 > 65 66 S 0.43310745644347 0.87500000000000 0.04096202009800 32.065 > 65 67 S 0.43310745644347 0.37500000000000 0.54096202009800 32.065 > 65 68 S 0.43310745644347 0.87500000000000 0.54096202009800 32.065 > 65 69 S 0.56689254355653 0.12500000000000 0.45903797990200 32.065 > 69 70 S 0.56689254355653 0.62500000000000 0.45903797990200 32.065 > 69 71 S 0.56689254355653 0.12500000000000 0.95903797990200 32.065 > 69 72 S 0.56689254355653 0.62500000000000 0.95903797990200 32.065 > 69 73 S 0.06689254355653 0.12500000000000 0.29096202009800 32.065 > 73 74 S 0.06689254355653 0.62500000000000 0.29096202009800 32.065 > 73 75 S 0.06689254355653 0.12500000000000 0.79096202009800 32.065 > 73 76 S 0.06689254355653 0.62500000000000 0.79096202009800 32.065 > 73 77 S 0.93310745644347 0.37500000000000 0.20903797990200 32.065 > 77 78 S 0.93310745644347 0.87500000000000 0.20903797990200 32.065 > 77 79 S 0.93310745644347 0.37500000000000 0.70903797990200 32.065 > 77 80 S 0.93310745644347 0.87500000000000 0.70903797990200 32.065 > 77 81 Sr 0.13444839371967 0.37500000000000 0.30568600579244 87.620 > 81 82 Sr 0.13444839371967 0.87500000000000 0.30568600579244 87.620 > 81 83 Sr 0.13444839371967 0.37500000000000 0.80568600579244 87.620 > 81 84 Sr 0.13444839371967 0.87500000000000 0.80568600579244 87.620 > 81 85 Sr 0.86555160628033 0.12500000000000 0.19431399420756 87.620 > 85 86 Sr 0.86555160628033 0.62500000000000 0.19431399420756 87.620 > 85 87 Sr 0.86555160628033 0.12500000000000 0.69431399420756 87.620 > 85 88 Sr 0.86555160628033 0.62500000000000 0.69431399420756 87.620 > 85 89 Sr 0.36555160628033 0.12500000000000 0.05568600579244 87.620 > 89 90 Sr 0.36555160628033 0.62500000000000 0.05568600579244 87.620 > 89 91 Sr 0.36555160628033 0.12500000000000 0.55568600579244 87.620 > 89 92 Sr 0.36555160628033 0.62500000000000 0.55568600579244 87.620 > 89 93 Sr 0.63444839371967 0.37500000000000 0.44431399420756 87.620 > 93 94 Sr 0.63444839371967 0.87500000000000 0.44431399420756 87.620 > 93 95 Sr 0.63444839371967 0.37500000000000 0.94431399420756 87.620 > 93 96 Sr 0.63444839371967 0.87500000000000 0.94431399420756 87.620 > 93 97 Tl 0.88985128874696 0.12500000000000 0.43777089975470 204.383 > 97 98 Tl 0.88985128874696 0.62500000000000 0.43777089975470 204.383 > 97 99 Tl 0.88985128874696 0.12500000000000 0.93777089975469 204.383 > 97 100 Tl 0.88985128874696 0.62500000000000 0.93777089975469 204.383 > 97 101 Tl 0.11014871125304 0.37500000000000 0.06222910024531 204.383 > 101 102 Tl 0.11014871125304 0.87500000000000 0.06222910024531 204.383 > 101 103 Tl 0.11014871125304 0.37500000000000 0.56222910024531 204.383 > 101 104 Tl 0.11014871125304 0.87500000000000 0.56222910024531 204.383 > 101 105 Tl 0.61014871125304 0.37500000000000 0.18777089975469 204.383 > 105 106 Tl 0.61014871125304 0.87500000000000 0.18777089975469 204.383 > 105 107 Tl 0.61014871125304 0.37500000000000 0.68777089975469 204.383 > 105 108 Tl 0.61014871125304 0.87500000000000 0.68777089975469 204.383 > 105 109 Tl 0.38985128874696 0.12500000000000 0.31222910024530 204.383 > 109 110 Tl 0.38985128874696 0.62500000000000 0.31222910024530 204.383 > 109 111 Tl 0.38985128874696 0.12500000000000 0.81222910024531 204.383 > 109 112 Tl 0.38985128874696 0.62500000000000 0.81222910024531 204.383 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4045718 0.0000000 0.0000000 0.0000000 6.3187256 0.0000000 0.0000000 0.0000000 5.9607472 -------------------------- Born effective charges -------------------------- 1 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 2 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 3 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 4 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 5 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 6 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 7 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 8 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 9 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 10 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 11 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 12 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 13 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 14 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 15 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 16 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 17 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 18 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 19 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 20 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 21 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 22 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 23 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 24 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 25 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 26 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 27 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 28 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 ---------------------------------------------------------------------------- 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[ 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[ 97, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 02:56:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:56:36]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518190560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.488512940000000 Atomic positions (fractional): 1 P 0.64969411367324 0.25000000000000 0.12583078821381 30.974 2 P 0.85030588632676 0.75000000000000 0.62583078821381 30.974 3 P 0.14969411367324 0.25000000000000 0.37416921178619 30.974 4 P 0.35030588632676 0.75000000000000 0.87416921178619 30.974 5 S 0.75057712833781 0.99983761026034 0.63498445908678 32.065 6 S 0.24942287166219 0.49983761026034 0.36501554091322 32.065 7 S 0.74942287166219 0.00016238973966 0.13498445908678 32.065 8 S 0.25057712833781 0.50016238973966 0.86501554091322 32.065 9 S 0.74942287166219 0.49983761026034 0.13498445908678 32.065 10 S 0.24942287166219 0.00016238973966 0.36501554091322 32.065 11 S 0.25057712833781 0.99983761026034 0.86501554091322 32.065 12 S 0.75057712833781 0.50016238973966 0.63498445908678 32.065 13 S 0.44568673621536 0.75000000000000 0.67976142011495 32.065 14 S 0.55431326378464 0.25000000000000 0.32023857988505 32.065 15 S 0.05431326378464 0.25000000000000 0.17976142011495 32.065 16 S 0.94568673621536 0.75000000000000 0.82023857988505 32.065 17 S 0.43310745644347 0.75000000000000 0.08192404019599 32.065 18 S 0.56689254355653 0.25000000000000 0.91807595980401 32.065 19 S 0.06689254355653 0.25000000000000 0.58192404019599 32.065 20 S 0.93310745644347 0.75000000000000 0.41807595980401 32.065 21 Sr 0.13444839371967 0.75000000000000 0.61137201158487 87.620 22 Sr 0.86555160628033 0.25000000000000 0.38862798841513 87.620 23 Sr 0.36555160628033 0.25000000000000 0.11137201158487 87.620 24 Sr 0.63444839371967 0.75000000000000 0.88862798841513 87.620 25 Tl 0.88985128874696 0.25000000000000 0.87554179950939 204.383 26 Tl 0.11014871125304 0.75000000000000 0.12445820049061 204.383 27 Tl 0.61014871125304 0.75000000000000 0.37554179950939 204.383 28 Tl 0.38985128874696 0.25000000000000 0.62445820049061 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.523871130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036381120000003 0.000000000000000 c 0.000000000000000 0.000000000000000 16.977025879999999 Atomic positions (fractional): 1 P 0.64969411367324 0.12500000000000 0.06291539410690 30.974 > 1 2 P 0.64969411367324 0.62500000000000 0.06291539410690 30.974 > 1 3 P 0.64969411367324 0.12500000000000 0.56291539410690 30.974 > 1 4 P 0.64969411367324 0.62500000000000 0.56291539410690 30.974 > 1 5 P 0.85030588632676 0.37500000000000 0.31291539410690 30.974 > 5 6 P 0.85030588632676 0.87500000000000 0.31291539410690 30.974 > 5 7 P 0.85030588632676 0.37500000000000 0.81291539410690 30.974 > 5 8 P 0.85030588632676 0.87500000000000 0.81291539410690 30.974 > 5 9 P 0.14969411367324 0.12500000000000 0.18708460589310 30.974 > 9 10 P 0.14969411367324 0.62500000000000 0.18708460589310 30.974 > 9 11 P 0.14969411367324 0.12500000000000 0.68708460589310 30.974 > 9 12 P 0.14969411367324 0.62500000000000 0.68708460589310 30.974 > 9 13 P 0.35030588632676 0.37500000000000 0.43708460589310 30.974 > 13 14 P 0.35030588632676 0.87500000000000 0.43708460589310 30.974 > 13 15 P 0.35030588632676 0.37500000000000 0.93708460589310 30.974 > 13 16 P 0.35030588632676 0.87500000000000 0.93708460589310 30.974 > 13 17 S 0.75057712833781 0.49991880513017 0.31749222954339 32.065 > 17 18 S 0.75057712833781 0.99991880513017 0.31749222954339 32.065 > 17 19 S 0.75057712833781 0.49991880513017 0.81749222954339 32.065 > 17 20 S 0.75057712833781 0.99991880513017 0.81749222954339 32.065 > 17 21 S 0.24942287166219 0.24991880513017 0.18250777045661 32.065 > 21 22 S 0.24942287166219 0.74991880513017 0.18250777045661 32.065 > 21 23 S 0.24942287166219 0.24991880513017 0.68250777045661 32.065 > 21 24 S 0.24942287166219 0.74991880513017 0.68250777045661 32.065 > 21 25 S 0.74942287166219 0.00008119486983 0.06749222954339 32.065 > 25 26 S 0.74942287166219 0.50008119486983 0.06749222954339 32.065 > 25 27 S 0.74942287166219 0.00008119486983 0.56749222954339 32.065 > 25 28 S 0.74942287166219 0.50008119486983 0.56749222954339 32.065 > 25 29 S 0.25057712833781 0.25008119486983 0.43250777045661 32.065 > 29 30 S 0.25057712833781 0.75008119486983 0.43250777045661 32.065 > 29 31 S 0.25057712833781 0.25008119486983 0.93250777045661 32.065 > 29 32 S 0.25057712833781 0.75008119486983 0.93250777045661 32.065 > 29 33 S 0.74942287166219 0.24991880513017 0.06749222954339 32.065 > 33 34 S 0.74942287166219 0.74991880513017 0.06749222954339 32.065 > 33 35 S 0.74942287166219 0.24991880513017 0.56749222954339 32.065 > 33 36 S 0.74942287166219 0.74991880513017 0.56749222954339 32.065 > 33 37 S 0.24942287166219 0.00008119486983 0.18250777045661 32.065 > 37 38 S 0.24942287166219 0.50008119486983 0.18250777045661 32.065 > 37 39 S 0.24942287166219 0.00008119486983 0.68250777045661 32.065 > 37 40 S 0.24942287166219 0.50008119486983 0.68250777045661 32.065 > 37 41 S 0.25057712833781 0.49991880513017 0.43250777045661 32.065 > 41 42 S 0.25057712833781 0.99991880513017 0.43250777045661 32.065 > 41 43 S 0.25057712833781 0.49991880513017 0.93250777045661 32.065 > 41 44 S 0.25057712833781 0.99991880513017 0.93250777045661 32.065 > 41 45 S 0.75057712833781 0.25008119486983 0.31749222954339 32.065 > 45 46 S 0.75057712833781 0.75008119486983 0.31749222954339 32.065 > 45 47 S 0.75057712833781 0.25008119486983 0.81749222954339 32.065 > 45 48 S 0.75057712833781 0.75008119486983 0.81749222954339 32.065 > 45 49 S 0.44568673621536 0.37500000000000 0.33988071005747 32.065 > 49 50 S 0.44568673621536 0.87500000000000 0.33988071005747 32.065 > 49 51 S 0.44568673621536 0.37500000000000 0.83988071005747 32.065 > 49 52 S 0.44568673621536 0.87500000000000 0.83988071005747 32.065 > 49 53 S 0.55431326378464 0.12500000000000 0.16011928994253 32.065 > 53 54 S 0.55431326378464 0.62500000000000 0.16011928994253 32.065 > 53 55 S 0.55431326378464 0.12500000000000 0.66011928994253 32.065 > 53 56 S 0.55431326378464 0.62500000000000 0.66011928994253 32.065 > 53 57 S 0.05431326378464 0.12500000000000 0.08988071005747 32.065 > 57 58 S 0.05431326378464 0.62500000000000 0.08988071005747 32.065 > 57 59 S 0.05431326378464 0.12500000000000 0.58988071005747 32.065 > 57 60 S 0.05431326378464 0.62500000000000 0.58988071005747 32.065 > 57 61 S 0.94568673621536 0.37500000000000 0.41011928994253 32.065 > 61 62 S 0.94568673621536 0.87500000000000 0.41011928994253 32.065 > 61 63 S 0.94568673621536 0.37500000000000 0.91011928994253 32.065 > 61 64 S 0.94568673621536 0.87500000000000 0.91011928994253 32.065 > 61 65 S 0.43310745644347 0.37500000000000 0.04096202009800 32.065 > 65 66 S 0.43310745644347 0.87500000000000 0.04096202009800 32.065 > 65 67 S 0.43310745644347 0.37500000000000 0.54096202009800 32.065 > 65 68 S 0.43310745644347 0.87500000000000 0.54096202009800 32.065 > 65 69 S 0.56689254355653 0.12500000000000 0.45903797990200 32.065 > 69 70 S 0.56689254355653 0.62500000000000 0.45903797990200 32.065 > 69 71 S 0.56689254355653 0.12500000000000 0.95903797990200 32.065 > 69 72 S 0.56689254355653 0.62500000000000 0.95903797990200 32.065 > 69 73 S 0.06689254355653 0.12500000000000 0.29096202009800 32.065 > 73 74 S 0.06689254355653 0.62500000000000 0.29096202009800 32.065 > 73 75 S 0.06689254355653 0.12500000000000 0.79096202009800 32.065 > 73 76 S 0.06689254355653 0.62500000000000 0.79096202009800 32.065 > 73 77 S 0.93310745644347 0.37500000000000 0.20903797990200 32.065 > 77 78 S 0.93310745644347 0.87500000000000 0.20903797990200 32.065 > 77 79 S 0.93310745644347 0.37500000000000 0.70903797990200 32.065 > 77 80 S 0.93310745644347 0.87500000000000 0.70903797990200 32.065 > 77 81 Sr 0.13444839371967 0.37500000000000 0.30568600579244 87.620 > 81 82 Sr 0.13444839371967 0.87500000000000 0.30568600579244 87.620 > 81 83 Sr 0.13444839371967 0.37500000000000 0.80568600579244 87.620 > 81 84 Sr 0.13444839371967 0.87500000000000 0.80568600579244 87.620 > 81 85 Sr 0.86555160628033 0.12500000000000 0.19431399420756 87.620 > 85 86 Sr 0.86555160628033 0.62500000000000 0.19431399420756 87.620 > 85 87 Sr 0.86555160628033 0.12500000000000 0.69431399420756 87.620 > 85 88 Sr 0.86555160628033 0.62500000000000 0.69431399420756 87.620 > 85 89 Sr 0.36555160628033 0.12500000000000 0.05568600579244 87.620 > 89 90 Sr 0.36555160628033 0.62500000000000 0.05568600579244 87.620 > 89 91 Sr 0.36555160628033 0.12500000000000 0.55568600579244 87.620 > 89 92 Sr 0.36555160628033 0.62500000000000 0.55568600579244 87.620 > 89 93 Sr 0.63444839371967 0.37500000000000 0.44431399420756 87.620 > 93 94 Sr 0.63444839371967 0.87500000000000 0.44431399420756 87.620 > 93 95 Sr 0.63444839371967 0.37500000000000 0.94431399420756 87.620 > 93 96 Sr 0.63444839371967 0.87500000000000 0.94431399420756 87.620 > 93 97 Tl 0.88985128874696 0.12500000000000 0.43777089975470 204.383 > 97 98 Tl 0.88985128874696 0.62500000000000 0.43777089975470 204.383 > 97 99 Tl 0.88985128874696 0.12500000000000 0.93777089975469 204.383 > 97 100 Tl 0.88985128874696 0.62500000000000 0.93777089975469 204.383 > 97 101 Tl 0.11014871125304 0.37500000000000 0.06222910024531 204.383 > 101 102 Tl 0.11014871125304 0.87500000000000 0.06222910024531 204.383 > 101 103 Tl 0.11014871125304 0.37500000000000 0.56222910024531 204.383 > 101 104 Tl 0.11014871125304 0.87500000000000 0.56222910024531 204.383 > 101 105 Tl 0.61014871125304 0.37500000000000 0.18777089975469 204.383 > 105 106 Tl 0.61014871125304 0.87500000000000 0.18777089975469 204.383 > 105 107 Tl 0.61014871125304 0.37500000000000 0.68777089975469 204.383 > 105 108 Tl 0.61014871125304 0.87500000000000 0.68777089975469 204.383 > 105 109 Tl 0.38985128874696 0.12500000000000 0.31222910024530 204.383 > 109 110 Tl 0.38985128874696 0.62500000000000 0.31222910024530 204.383 > 109 111 Tl 0.38985128874696 0.12500000000000 0.81222910024531 204.383 > 109 112 Tl 0.38985128874696 0.62500000000000 0.81222910024531 204.383 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4045718 0.0000000 0.0000000 0.0000000 6.3187256 0.0000000 0.0000000 0.0000000 5.9607472 -------------------------- Born effective charges -------------------------- 1 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 2 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 3 P 2.3784287 0.0000000 -0.2387823 0.0000000 2.4907763 0.0000000 -0.0106065 0.0000000 2.5912320 4 P 2.3784287 0.0000000 0.2387823 0.0000000 2.4907763 0.0000000 0.0106065 0.0000000 2.5912320 5 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 6 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 7 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 8 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 9 S -1.5891150 -0.1462376 0.0597428 -0.2056716 -2.3061303 -0.3520435 0.2225458 -0.1411009 -1.6334883 10 S -1.5891150 0.1462376 -0.0597428 0.2056716 -2.3061303 -0.3520435 -0.2225458 -0.1411009 -1.6334883 11 S -1.5891150 0.1462376 0.0597428 0.2056716 -2.3061303 0.3520435 0.2225458 0.1411009 -1.6334883 12 S -1.5891150 -0.1462376 -0.0597428 -0.2056716 -2.3061303 0.3520435 -0.2225458 0.1411009 -1.6334883 13 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 14 S -1.7338023 0.0000000 0.2171308 0.0000000 -1.5353457 0.0000000 0.4706376 0.0000000 -1.8560899 15 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 16 S -1.7338023 0.0000000 -0.2171308 0.0000000 -1.5353457 0.0000000 -0.4706376 0.0000000 -1.8560899 17 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 18 S -1.5628592 0.0000000 -0.4328988 0.0000000 -1.3141638 0.0000000 -0.4686175 0.0000000 -2.0039162 19 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 20 S -1.5628592 0.0000000 0.4328988 0.0000000 -1.3141638 0.0000000 0.4686175 0.0000000 -2.0039162 21 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 22 Sr 2.5723304 0.0000000 0.3425194 0.0000000 2.4383301 0.0000000 0.2138330 0.0000000 2.2668726 23 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 24 Sr 2.5723304 0.0000000 -0.3425194 0.0000000 2.4383301 0.0000000 -0.2138330 0.0000000 2.2668726 25 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 26 Tl 1.5241322 0.0000000 -0.2674411 0.0000000 2.5326636 0.0000000 -0.0769968 0.0000000 2.2688780 27 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 28 Tl 1.5241322 0.0000000 0.2674411 0.0000000 2.5326636 0.0000000 0.0769968 0.0000000 2.2688780 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 6 ] 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: 0.47, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 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 0.504 ( 0.000 0.000 0.000) 0.000 0.565 ( 0.000 0.000 0.000) 0.000 0.842 ( 0.000 0.000 0.000) 0.000 0.884 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.209 ( 0.000 0.000 0.000) 0.000 12.219 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 15.703 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 15.774 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.326 ( 0.000 0.000 0.000) 0.000 16.397 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 16.551 ( 0.000 0.000 0.000) 0.000 16.653 ( 0.000 0.000 0.000) 0.000 16.658 ( 0.000 0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( 9.531 0.000 0.000) 9.531 0.399 ( 18.822 0.000 0.000) 18.822 0.515 ( -4.681 0.000 0.000) 4.681 0.525 ( 22.557 0.000 0.000) 22.557 0.667 ( 13.548 0.000 0.000) 13.548 0.861 ( 1.556 0.000 0.000) 1.556 0.878 ( -0.814 0.000 0.000) 0.814 0.916 ( -0.725 0.000 0.000) 0.725 0.924 ( -1.200 0.000 0.000) 1.200 0.939 ( -6.849 0.000 0.000) 6.849 0.967 ( 2.973 0.000 0.000) 2.973 1.237 ( 1.437 0.000 0.000) 1.437 1.335 ( 3.416 0.000 0.000) 3.416 1.346 ( -1.233 0.000 0.000) 1.233 1.426 ( -1.014 0.000 0.000) 1.014 1.454 ( -14.414 0.000 0.000) 14.414 1.475 ( 1.518 0.000 0.000) 1.518 1.623 ( 3.477 0.000 0.000) 3.477 1.865 ( -5.178 0.000 0.000) 5.178 1.974 ( -16.548 0.000 0.000) 16.548 2.254 ( 4.424 0.000 0.000) 4.424 2.329 ( -0.625 0.000 0.000) 0.625 2.352 ( 5.010 0.000 0.000) 5.010 2.428 ( 5.336 0.000 0.000) 5.336 2.458 ( 1.530 0.000 0.000) 1.530 2.548 ( -2.202 0.000 0.000) 2.202 2.698 ( 0.811 0.000 0.000) 0.811 2.809 ( -3.866 0.000 0.000) 3.866 2.964 ( -0.171 0.000 0.000) 0.171 2.992 ( 1.331 0.000 0.000) 1.331 3.024 ( -0.306 0.000 0.000) 0.306 3.199 ( -13.242 0.000 0.000) 13.242 3.285 ( 6.199 0.000 0.000) 6.199 3.365 ( -1.690 0.000 0.000) 1.690 3.382 ( 1.621 0.000 0.000) 1.621 3.660 ( -5.797 0.000 0.000) 5.797 3.806 ( 0.397 0.000 0.000) 0.397 3.821 ( -0.218 0.000 0.000) 0.218 3.945 ( 13.501 0.000 0.000) 13.501 4.082 ( 0.894 0.000 0.000) 0.894 4.103 ( 1.802 0.000 0.000) 1.802 4.129 ( -0.925 0.000 0.000) 0.925 4.467 ( 7.496 0.000 0.000) 7.496 4.642 ( -1.970 0.000 0.000) 1.970 4.700 ( -2.755 0.000 0.000) 2.755 4.865 ( -7.837 0.000 0.000) 7.837 4.954 ( 3.654 0.000 0.000) 3.654 5.065 ( -1.276 0.000 0.000) 1.276 5.720 ( 0.515 0.000 0.000) 0.515 5.749 ( -0.682 0.000 0.000) 0.682 5.939 ( 1.078 0.000 0.000) 1.078 5.989 ( -0.920 0.000 0.000) 0.920 6.611 ( 2.081 0.000 0.000) 2.081 6.694 ( 0.164 0.000 0.000) 0.164 6.701 ( -1.481 0.000 0.000) 1.481 6.716 ( -0.760 0.000 0.000) 0.760 7.058 ( 0.318 0.000 0.000) 0.318 7.076 ( -0.400 0.000 0.000) 0.400 7.126 ( 0.392 0.000 0.000) 0.392 7.142 ( -0.260 0.000 0.000) 0.260 7.705 ( -0.608 0.000 0.000) 0.608 7.708 ( -0.384 0.000 0.000) 0.384 7.775 ( 2.014 0.000 0.000) 2.014 7.845 ( -1.092 0.000 0.000) 1.092 8.418 ( 1.560 0.000 0.000) 1.560 8.497 ( -1.633 0.000 0.000) 1.633 8.675 ( 0.809 0.000 0.000) 0.809 8.708 ( -0.557 0.000 0.000) 0.557 12.193 ( 0.280 0.000 0.000) 0.280 12.206 ( -0.230 0.000 0.000) 0.230 12.226 ( 0.002 0.000 0.000) 0.002 12.226 ( -0.047 0.000 0.000) 0.047 15.704 ( 0.062 0.000 0.000) 0.062 15.709 ( -0.132 0.000 0.000) 0.132 15.747 ( 0.485 0.000 0.000) 0.485 15.770 ( -0.423 0.000 0.000) 0.423 16.166 ( 2.952 0.000 0.000) 2.952 16.339 ( -4.388 0.000 0.000) 4.388 16.454 ( 0.346 0.000 0.000) 0.346 16.456 ( 0.688 0.000 0.000) 0.688 16.652 ( -0.047 0.000 0.000) 0.047 16.656 ( -0.186 0.000 0.000) 0.186 16.866 ( 1.728 0.000 0.000) 1.728 16.935 ( -1.093 0.000 0.000) 1.093 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -7.297 0.000 0.000) 7.297 0.393 ( 7.297 0.000 0.000) 7.297 0.727 ( -12.927 0.000 0.000) 12.927 0.727 ( 12.927 0.000 0.000) 12.927 0.824 ( -5.866 0.000 0.000) 5.866 0.824 ( 5.866 0.000 0.000) 5.866 0.872 ( -4.159 0.000 0.000) 4.159 0.872 ( 4.159 0.000 0.000) 4.159 0.896 ( -0.809 0.000 0.000) 0.809 0.896 ( 0.809 0.000 0.000) 0.809 1.138 ( -14.967 0.000 0.000) 14.967 1.138 ( 14.967 0.000 0.000) 14.967 1.302 ( -3.402 0.000 0.000) 3.402 1.302 ( 3.402 0.000 0.000) 3.402 1.399 ( -2.092 0.000 0.000) 2.092 1.399 ( 2.092 0.000 0.000) 2.092 1.600 ( -11.660 0.000 0.000) 11.660 1.600 ( 11.660 0.000 0.000) 11.660 1.756 ( -3.451 0.000 0.000) 3.451 1.756 ( 3.451 0.000 0.000) 3.451 2.307 ( -1.642 0.000 0.000) 1.642 2.307 ( 1.642 0.000 0.000) 1.642 2.473 ( -5.455 0.000 0.000) 5.455 2.473 ( 5.455 0.000 0.000) 5.455 2.480 ( -0.124 0.000 0.000) 0.124 2.480 ( 0.124 0.000 0.000) 0.124 2.734 ( -3.005 0.000 0.000) 3.005 2.734 ( 3.005 0.000 0.000) 3.005 3.009 ( -5.436 0.000 0.000) 5.436 3.009 ( 5.436 0.000 0.000) 5.436 3.014 ( -0.807 0.000 0.000) 0.807 3.014 ( 0.807 0.000 0.000) 0.807 3.340 ( -0.992 0.000 0.000) 0.992 3.340 ( 0.992 0.000 0.000) 0.992 3.507 ( -8.637 0.000 0.000) 8.637 3.507 ( 8.637 0.000 0.000) 8.637 3.815 ( -0.415 0.000 0.000) 0.415 3.815 ( 0.415 0.000 0.000) 0.415 4.105 ( -1.298 0.000 0.000) 1.298 4.105 ( 1.298 0.000 0.000) 1.298 4.110 ( -2.637 0.000 0.000) 2.637 4.110 ( 2.637 0.000 0.000) 2.637 4.638 ( -3.360 0.000 0.000) 3.360 4.638 ( 3.360 0.000 0.000) 3.360 4.667 ( -10.034 0.000 0.000) 10.034 4.667 ( 10.034 0.000 0.000) 10.034 5.023 ( -2.950 0.000 0.000) 2.950 5.023 ( 2.950 0.000 0.000) 2.950 5.734 ( -0.818 0.000 0.000) 0.818 5.734 ( 0.818 0.000 0.000) 0.818 5.965 ( -1.384 0.000 0.000) 1.384 5.965 ( 1.384 0.000 0.000) 1.384 6.660 ( -2.521 0.000 0.000) 2.521 6.660 ( 2.521 0.000 0.000) 2.521 6.701 ( -0.634 0.000 0.000) 0.634 6.701 ( 0.634 0.000 0.000) 0.634 7.066 ( -0.479 0.000 0.000) 0.479 7.066 ( 0.479 0.000 0.000) 0.479 7.135 ( -0.433 0.000 0.000) 0.433 7.135 ( 0.433 0.000 0.000) 0.433 7.701 ( -0.188 0.000 0.000) 0.188 7.701 ( 0.188 0.000 0.000) 0.188 7.815 ( -1.839 0.000 0.000) 1.839 7.815 ( 1.839 0.000 0.000) 1.839 8.457 ( -2.171 0.000 0.000) 2.171 8.457 ( 2.171 0.000 0.000) 2.171 8.693 ( -0.898 0.000 0.000) 0.898 8.693 ( 0.898 0.000 0.000) 0.898 12.200 ( -0.385 0.000 0.000) 0.385 12.200 ( 0.385 0.000 0.000) 0.385 12.226 ( -0.010 0.000 0.000) 0.010 12.226 ( 0.010 0.000 0.000) 0.010 15.706 ( -0.148 0.000 0.000) 0.148 15.706 ( 0.148 0.000 0.000) 0.148 15.759 ( -0.630 0.000 0.000) 0.630 15.759 ( 0.630 0.000 0.000) 0.630 16.245 ( -4.696 0.000 0.000) 4.696 16.245 ( 4.696 0.000 0.000) 4.696 16.460 ( -0.145 0.000 0.000) 0.145 16.460 ( 0.145 0.000 0.000) 0.145 16.652 ( -0.104 0.000 0.000) 0.104 16.652 ( 0.104 0.000 0.000) 0.104 16.905 ( -1.882 0.000 0.000) 1.882 16.905 ( 1.882 0.000 0.000) 1.882 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( 0.000 11.707 0.000) 11.707 0.351 ( 0.000 17.864 0.000) 17.864 0.634 ( 0.000 24.672 0.000) 24.672 0.690 ( 0.000 9.507 0.000) 9.507 0.836 ( 0.000 -0.247 0.000) 0.247 0.935 ( 0.000 4.349 0.000) 4.349 0.958 ( 0.000 3.318 0.000) 3.318 1.011 ( 0.000 7.126 0.000) 7.126 1.028 ( 0.000 8.516 0.000) 8.516 1.036 ( 0.000 12.581 0.000) 12.581 1.223 ( 0.000 -0.234 0.000) 0.234 1.285 ( 0.000 -0.254 0.000) 0.254 1.393 ( 0.000 3.419 0.000) 3.419 1.414 ( 0.000 -2.268 0.000) 2.268 1.427 ( 0.000 -0.987 0.000) 0.987 1.592 ( 0.000 2.102 0.000) 2.102 1.754 ( 0.000 11.757 0.000) 11.757 1.935 ( 0.000 1.663 0.000) 1.663 2.128 ( 0.000 -9.632 0.000) 9.632 2.148 ( 0.000 -0.594 0.000) 0.594 2.163 ( 0.000 1.787 0.000) 1.787 2.383 ( 0.000 4.003 0.000) 4.003 2.395 ( 0.000 13.290 0.000) 13.290 2.433 ( 0.000 5.552 0.000) 5.552 2.441 ( 0.000 0.957 0.000) 0.957 2.571 ( 0.000 0.150 0.000) 0.150 2.718 ( 0.000 1.875 0.000) 1.875 2.919 ( 0.000 1.844 0.000) 1.844 2.946 ( 0.000 1.638 0.000) 1.638 2.947 ( 0.000 -2.491 0.000) 2.491 3.033 ( 0.000 0.688 0.000) 0.688 3.058 ( 0.000 -2.359 0.000) 2.359 3.197 ( 0.000 0.116 0.000) 0.116 3.299 ( 0.000 -5.105 0.000) 5.105 3.483 ( 0.000 -0.036 0.000) 0.036 3.645 ( 0.000 0.168 0.000) 0.168 3.691 ( 0.000 -2.735 0.000) 2.735 3.998 ( 0.000 13.513 0.000) 13.513 4.073 ( 0.000 -0.586 0.000) 0.586 4.130 ( 0.000 5.318 0.000) 5.318 4.206 ( 0.000 6.913 0.000) 6.913 4.390 ( 0.000 0.200 0.000) 0.200 4.454 ( 0.000 4.967 0.000) 4.967 4.489 ( 0.000 -2.148 0.000) 2.148 4.646 ( 0.000 -2.883 0.000) 2.883 4.765 ( 0.000 1.218 0.000) 1.218 4.867 ( 0.000 -3.693 0.000) 3.693 4.928 ( 0.000 -1.966 0.000) 1.966 5.798 ( 0.000 7.938 0.000) 7.938 5.823 ( 0.000 6.471 0.000) 6.471 5.980 ( 0.000 4.423 0.000) 4.423 6.042 ( 0.000 4.293 0.000) 4.293 6.571 ( 0.000 -1.752 0.000) 1.752 6.628 ( 0.000 -4.338 0.000) 4.338 6.674 ( 0.000 -4.059 0.000) 4.059 6.689 ( 0.000 -3.262 0.000) 3.262 7.133 ( 0.000 7.108 0.000) 7.108 7.182 ( 0.000 3.740 0.000) 3.740 7.193 ( 0.000 6.642 0.000) 6.642 7.280 ( 0.000 4.463 0.000) 4.463 7.694 ( 0.000 -1.919 0.000) 1.919 7.697 ( 0.000 -2.152 0.000) 2.152 7.722 ( 0.000 -2.538 0.000) 2.538 7.758 ( 0.000 -2.908 0.000) 2.908 8.370 ( 0.000 -3.192 0.000) 3.192 8.483 ( 0.000 -3.169 0.000) 3.169 8.509 ( 0.000 -4.658 0.000) 4.658 8.618 ( 0.000 -4.718 0.000) 4.718 12.177 ( 0.000 -1.307 0.000) 1.307 12.197 ( 0.000 -1.165 0.000) 1.165 12.206 ( 0.000 -1.308 0.000) 1.308 12.212 ( 0.000 -1.354 0.000) 1.354 15.764 ( 0.000 5.220 0.000) 5.220 15.765 ( 0.000 2.255 0.000) 2.255 15.812 ( 0.000 3.709 0.000) 3.709 16.111 ( 0.000 -2.431 0.000) 2.431 16.300 ( 0.000 -2.501 0.000) 2.501 16.306 ( 0.000 -1.192 0.000) 1.192 16.393 ( 0.000 -0.342 0.000) 0.342 16.407 ( 0.000 -3.159 0.000) 3.159 16.544 ( 0.000 -0.541 0.000) 0.541 16.630 ( 0.000 -2.274 0.000) 2.274 16.645 ( 0.000 -1.198 0.000) 1.198 16.775 ( 0.000 -7.098 0.000) 7.098 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 11.058 7.282 0.000) 13.240 0.520 ( 13.212 10.773 0.000) 17.047 0.649 ( -3.609 9.785 0.000) 10.429 0.726 ( 6.317 13.413 0.000) 14.826 0.839 ( -0.151 -0.296 0.000) 0.333 0.934 ( 0.211 4.696 0.000) 4.701 0.951 ( -2.011 4.232 0.000) 4.686 0.963 ( -4.696 3.590 0.000) 5.911 1.023 ( 0.848 8.085 0.000) 8.129 1.046 ( 0.424 17.592 0.000) 17.597 1.248 ( 3.555 3.873 0.000) 5.257 1.306 ( 1.234 0.190 0.000) 1.248 1.381 ( -1.248 3.176 0.000) 3.413 1.398 ( -1.706 -1.197 0.000) 2.084 1.425 ( -0.250 1.775 0.000) 1.792 1.563 ( -6.622 6.296 0.000) 9.138 1.687 ( -0.098 8.617 0.000) 8.617 1.697 ( -19.937 31.412 0.000) 37.205 1.883 ( -4.969 2.516 0.000) 5.569 1.953 ( -11.794 -1.710 0.000) 11.917 2.276 ( 4.916 -0.800 0.000) 4.980 2.363 ( -1.498 -2.856 0.000) 3.225 2.400 ( 1.386 0.649 0.000) 1.530 2.415 ( 1.442 7.168 0.000) 7.311 2.469 ( 4.135 5.449 0.000) 6.840 2.587 ( 0.037 2.532 0.000) 2.532 2.719 ( 0.082 0.927 0.000) 0.931 2.829 ( -5.515 -0.816 0.000) 5.575 2.956 ( 0.969 2.891 0.000) 3.049 3.002 ( 2.193 0.212 0.000) 2.203 3.029 ( -0.496 0.898 0.000) 1.026 3.196 ( -11.007 -0.493 0.000) 11.018 3.212 ( 6.725 -6.120 0.000) 9.093 3.310 ( 7.665 -3.040 0.000) 8.245 3.331 ( -2.751 -2.594 0.000) 3.781 3.607 ( -5.486 -4.083 0.000) 6.839 3.917 ( 11.464 1.705 0.000) 11.590 3.986 ( 0.676 11.050 0.000) 11.071 4.038 ( -6.393 11.489 0.000) 13.148 4.100 ( 0.701 1.308 0.000) 1.485 4.191 ( -1.835 11.367 0.000) 11.514 4.205 ( -0.290 7.476 0.000) 7.482 4.463 ( 6.666 -0.687 0.000) 6.701 4.616 ( -1.519 -2.102 0.000) 2.594 4.672 ( -1.573 -4.408 0.000) 4.680 4.790 ( -3.314 -4.602 0.000) 5.671 4.912 ( 3.378 -3.985 0.000) 5.225 4.951 ( 3.062 -5.413 0.000) 6.219 5.800 ( 0.232 7.683 0.000) 7.687 5.818 ( -0.498 6.651 0.000) 6.669 5.986 ( 0.813 4.517 0.000) 4.590 6.033 ( -0.910 4.307 0.000) 4.402 6.574 ( 1.143 -2.732 0.000) 2.962 6.643 ( 0.839 -4.359 0.000) 4.439 6.656 ( -1.700 -4.154 0.000) 4.488 6.680 ( -0.849 -3.400 0.000) 3.504 7.139 ( 0.674 7.247 0.000) 7.278 7.185 ( 0.259 4.333 0.000) 4.340 7.190 ( -0.602 6.145 0.000) 6.174 7.210 ( -2.979 8.953 0.000) 9.435 7.684 ( -0.574 -2.123 0.000) 2.199 7.689 ( -0.420 -1.972 0.000) 2.016 7.749 ( 1.843 -2.684 0.000) 3.256 7.792 ( 0.772 -4.379 0.000) 4.446 8.385 ( 1.549 -3.252 0.000) 3.602 8.465 ( -1.653 -3.176 0.000) 3.580 8.586 ( 3.733 -8.414 0.000) 9.205 8.623 ( 0.325 -5.134 0.000) 5.145 12.180 ( 0.289 -1.299 0.000) 1.331 12.193 ( -0.262 -1.251 0.000) 1.278 12.211 ( 0.191 -1.399 0.000) 1.412 12.212 ( 0.017 -1.339 0.000) 1.339 15.766 ( 0.174 5.101 0.000) 5.104 15.767 ( 0.206 2.443 0.000) 2.452 15.811 ( 0.002 4.309 0.000) 4.309 15.931 ( -10.696 13.070 0.000) 16.889 16.143 ( 3.089 -2.238 0.000) 3.814 16.324 ( -4.616 -1.679 0.000) 4.911 16.431 ( 1.015 -2.566 0.000) 2.760 16.436 ( 0.926 -1.811 0.000) 2.034 16.629 ( -0.055 -2.295 0.000) 2.296 16.635 ( -0.152 -2.046 0.000) 2.052 16.744 ( 6.789 -11.807 0.000) 13.620 16.788 ( 1.051 -7.567 0.000) 7.639 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -6.499 9.480 0.000) 11.494 0.550 ( 6.499 9.480 0.000) 11.494 0.767 ( -7.802 3.537 0.000) 8.566 0.767 ( 7.802 3.537 0.000) 8.566 0.830 ( -1.278 3.667 0.000) 3.883 0.830 ( 1.278 3.667 0.000) 3.883 0.944 ( -0.628 4.667 0.000) 4.710 0.944 ( 0.628 4.667 0.000) 4.710 1.038 ( -0.673 11.913 0.000) 11.932 1.038 ( 0.673 11.913 0.000) 11.932 1.326 ( -4.347 7.168 0.000) 8.383 1.326 ( 4.347 7.168 0.000) 8.383 1.343 ( -2.717 4.051 0.000) 4.878 1.343 ( 2.717 4.051 0.000) 4.878 1.440 ( -2.759 6.215 0.000) 6.800 1.440 ( 2.759 6.215 0.000) 6.800 1.679 ( -10.800 12.076 0.000) 16.201 1.679 ( 10.800 12.076 0.000) 16.201 1.773 ( -4.513 2.348 0.000) 5.087 1.773 ( 4.513 2.348 0.000) 5.087 2.335 ( -1.721 -1.284 0.000) 2.148 2.335 ( 1.721 -1.284 0.000) 2.148 2.424 ( -0.567 0.729 0.000) 0.923 2.424 ( 0.567 0.729 0.000) 0.923 2.565 ( -3.254 5.771 0.000) 6.625 2.565 ( 3.254 5.771 0.000) 6.625 2.736 ( -2.689 -1.288 0.000) 2.982 2.736 ( 2.689 -1.288 0.000) 2.982 2.998 ( -2.979 1.991 0.000) 3.583 2.998 ( 2.979 1.991 0.000) 3.583 3.043 ( -3.095 1.048 0.000) 3.268 3.043 ( 3.095 1.048 0.000) 3.268 3.296 ( -2.050 -4.084 0.000) 4.570 3.296 ( 2.050 -4.084 0.000) 4.570 3.464 ( -8.101 -3.695 0.000) 8.904 3.464 ( 8.101 -3.695 0.000) 8.904 3.967 ( -1.075 13.492 0.000) 13.535 3.967 ( 1.075 13.492 0.000) 13.535 4.095 ( -2.922 -0.302 0.000) 2.937 4.095 ( 2.922 -0.302 0.000) 2.937 4.193 ( -0.766 7.992 0.000) 8.029 4.193 ( 0.766 7.992 0.000) 8.029 4.605 ( -4.756 -5.179 0.000) 7.031 4.605 ( 4.756 -5.179 0.000) 7.031 4.652 ( -7.134 0.872 0.000) 7.187 4.652 ( 7.134 0.872 0.000) 7.187 4.967 ( -1.535 -5.005 0.000) 5.235 4.967 ( 1.535 -5.005 0.000) 5.235 5.807 ( -0.481 7.120 0.000) 7.136 5.807 ( 0.481 7.120 0.000) 7.136 6.009 ( -1.333 4.362 0.000) 4.561 6.009 ( 1.333 4.362 0.000) 4.561 6.613 ( -2.384 -3.962 0.000) 4.624 6.613 ( 2.384 -3.962 0.000) 4.624 6.660 ( -0.978 -3.824 0.000) 3.947 6.660 ( 0.978 -3.824 0.000) 3.947 7.160 ( -1.402 7.671 0.000) 7.798 7.160 ( 1.402 7.671 0.000) 7.798 7.191 ( -0.310 5.750 0.000) 5.758 7.191 ( 0.310 5.750 0.000) 5.758 7.681 ( -0.221 -2.047 0.000) 2.059 7.681 ( 0.221 -2.047 0.000) 2.059 7.782 ( -1.320 -3.247 0.000) 3.505 7.782 ( 1.320 -3.247 0.000) 3.505 8.425 ( -2.220 -3.229 0.000) 3.919 8.425 ( 2.220 -3.229 0.000) 3.919 8.623 ( -0.530 -6.500 0.000) 6.521 8.623 ( 0.530 -6.500 0.000) 6.521 12.187 ( -0.388 -1.289 0.000) 1.346 12.187 ( 0.388 -1.289 0.000) 1.346 12.212 ( -0.001 -1.319 0.000) 1.319 12.212 ( 0.001 -1.319 0.000) 1.319 15.770 ( -0.063 3.717 0.000) 3.717 15.770 ( 0.063 3.717 0.000) 3.717 15.824 ( -1.956 7.751 0.000) 7.993 15.824 ( 1.956 7.751 0.000) 7.993 16.226 ( -4.866 -1.953 0.000) 5.244 16.226 ( 4.866 -1.953 0.000) 5.244 16.442 ( -0.185 -1.792 0.000) 1.801 16.442 ( 0.185 -1.792 0.000) 1.801 16.630 ( -0.206 -2.177 0.000) 2.187 16.630 ( 0.206 -2.177 0.000) 2.187 16.801 ( -0.270 -9.244 0.000) 9.248 16.801 ( 0.270 -9.244 0.000) 9.248 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 13.427 0.000) 13.427 0.664 ( 0.000 14.187 0.000) 14.187 0.847 ( 0.000 1.717 0.000) 1.717 0.856 ( 0.000 7.661 0.000) 7.661 0.937 ( 0.000 9.733 0.000) 9.733 1.024 ( 0.000 4.606 0.000) 4.606 1.033 ( 0.000 3.997 0.000) 3.997 1.091 ( 0.000 3.949 0.000) 3.949 1.149 ( 0.000 5.637 0.000) 5.637 1.230 ( 0.000 -2.174 0.000) 2.174 1.233 ( 0.000 1.554 0.000) 1.554 1.357 ( 0.000 -3.661 0.000) 3.661 1.407 ( 0.000 -0.685 0.000) 0.685 1.476 ( 0.000 4.953 0.000) 4.953 1.503 ( 0.000 20.004 0.000) 20.004 1.699 ( 0.000 9.086 0.000) 9.086 1.944 ( 0.000 -8.904 0.000) 8.904 1.997 ( 0.000 11.259 0.000) 11.259 2.005 ( 0.000 6.309 0.000) 6.309 2.149 ( 0.000 0.509 0.000) 0.509 2.155 ( 0.000 -1.970 0.000) 1.970 2.425 ( 0.000 -1.024 0.000) 1.024 2.503 ( 0.000 1.108 0.000) 1.108 2.514 ( 0.000 6.316 0.000) 6.316 2.594 ( 0.000 2.610 0.000) 2.610 2.625 ( 0.000 8.598 0.000) 8.598 2.726 ( 0.000 -1.347 0.000) 1.347 2.836 ( 0.000 -5.621 0.000) 5.621 2.898 ( 0.000 -2.101 0.000) 2.101 3.003 ( 0.000 -3.203 0.000) 3.203 3.061 ( 0.000 2.448 0.000) 2.448 3.093 ( 0.000 7.934 0.000) 7.934 3.201 ( 0.000 0.449 0.000) 0.449 3.204 ( 0.000 -3.803 0.000) 3.803 3.491 ( 0.000 0.985 0.000) 0.985 3.589 ( 0.000 -3.698 0.000) 3.698 3.746 ( 0.000 6.496 0.000) 6.496 4.062 ( 0.000 -0.410 0.000) 0.410 4.211 ( 0.000 0.784 0.000) 0.784 4.297 ( 0.000 16.574 0.000) 16.574 4.363 ( 0.000 1.081 0.000) 1.081 4.399 ( 0.000 7.018 0.000) 7.018 4.488 ( 0.000 3.807 0.000) 3.807 4.586 ( 0.000 8.430 0.000) 8.430 4.597 ( 0.000 -0.587 0.000) 0.587 4.785 ( 0.000 -4.420 0.000) 4.420 4.808 ( 0.000 3.422 0.000) 3.422 4.878 ( 0.000 -3.048 0.000) 3.048 5.979 ( 0.000 8.983 0.000) 8.983 5.981 ( 0.000 10.232 0.000) 10.232 6.089 ( 0.000 6.394 0.000) 6.394 6.147 ( 0.000 6.052 0.000) 6.052 6.522 ( 0.000 -3.339 0.000) 3.339 6.533 ( 0.000 -5.261 0.000) 5.261 6.576 ( 0.000 -5.661 0.000) 5.661 6.615 ( 0.000 -4.369 0.000) 4.369 7.277 ( 0.000 5.712 0.000) 5.712 7.285 ( 0.000 7.824 0.000) 7.824 7.342 ( 0.000 8.080 0.000) 8.080 7.389 ( 0.000 6.367 0.000) 6.367 7.642 ( 0.000 -3.430 0.000) 3.430 7.645 ( 0.000 -2.909 0.000) 2.909 7.657 ( 0.000 -3.941 0.000) 3.941 7.685 ( 0.000 -4.294 0.000) 4.294 8.289 ( 0.000 -4.806 0.000) 4.806 8.391 ( 0.000 -7.147 0.000) 7.147 8.404 ( 0.000 -4.695 0.000) 4.695 8.500 ( 0.000 -7.071 0.000) 7.071 12.146 ( 0.000 -1.696 0.000) 1.696 12.168 ( 0.000 -1.713 0.000) 1.713 12.174 ( 0.000 -1.896 0.000) 1.896 12.178 ( 0.000 -2.067 0.000) 2.067 15.819 ( 0.000 3.094 0.000) 3.094 15.887 ( 0.000 6.899 0.000) 6.899 15.903 ( 0.000 5.419 0.000) 5.419 16.049 ( 0.000 -3.805 0.000) 3.805 16.241 ( 0.000 -3.326 0.000) 3.326 16.272 ( 0.000 -2.254 0.000) 2.254 16.331 ( 0.000 -4.298 0.000) 4.298 16.387 ( 0.000 -0.284 0.000) 0.284 16.536 ( 0.000 -0.160 0.000) 0.160 16.573 ( 0.000 -3.473 0.000) 3.473 16.603 ( 0.000 -9.957 0.000) 9.957 16.618 ( 0.000 -1.555 0.000) 1.555 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 7.187 9.818 0.000) 12.168 0.734 ( 5.819 10.065 0.000) 11.626 0.791 ( -3.617 4.982 0.000) 6.157 0.892 ( 2.027 6.051 0.000) 6.382 0.918 ( -1.876 7.265 0.000) 7.503 1.026 ( 0.376 4.667 0.000) 4.683 1.035 ( -1.025 3.810 0.000) 3.946 1.048 ( -2.844 5.820 0.000) 6.478 1.163 ( 1.259 5.065 0.000) 5.219 1.210 ( -0.846 1.289 0.000) 1.542 1.273 ( 2.628 -1.356 0.000) 2.957 1.353 ( -0.414 -2.955 0.000) 2.984 1.410 ( 0.307 -0.656 0.000) 0.724 1.466 ( -1.177 4.541 0.000) 4.691 1.544 ( 3.283 16.937 0.000) 17.253 1.693 ( -2.686 7.670 0.000) 8.127 1.834 ( -4.621 2.156 0.000) 5.099 1.958 ( -4.404 7.280 0.000) 8.508 1.969 ( 0.282 6.116 0.000) 6.122 2.162 ( -2.996 13.784 0.000) 14.106 2.269 ( -9.645 0.236 0.000) 9.648 2.281 ( 6.012 1.931 0.000) 6.314 2.446 ( 1.415 0.410 0.000) 1.473 2.500 ( -0.709 1.508 0.000) 1.666 2.618 ( 0.305 6.626 0.000) 6.633 2.618 ( 0.657 0.625 0.000) 0.907 2.703 ( -2.355 -2.162 0.000) 3.197 2.773 ( -4.823 -2.964 0.000) 5.661 2.959 ( 4.369 -2.944 0.000) 5.268 3.069 ( 0.579 2.905 0.000) 2.962 3.076 ( 1.455 2.365 0.000) 2.777 3.122 ( 4.767 -0.075 0.000) 4.767 3.167 ( -4.634 -2.229 0.000) 5.143 3.268 ( 5.334 -1.344 0.000) 5.501 3.315 ( -8.336 1.360 0.000) 8.446 3.526 ( -5.809 -3.976 0.000) 7.039 3.944 ( 11.368 2.689 0.000) 11.682 4.079 ( 1.453 -0.041 0.000) 1.453 4.226 ( 1.111 4.569 0.000) 4.702 4.274 ( -1.436 15.834 0.000) 15.899 4.389 ( 0.552 9.930 0.000) 9.946 4.417 ( 2.645 -3.527 0.000) 4.409 4.441 ( -2.927 11.706 0.000) 12.066 4.582 ( -2.302 -0.043 0.000) 2.303 4.610 ( 2.360 2.769 0.000) 3.639 4.786 ( -2.741 2.780 0.000) 3.904 4.820 ( 2.640 -5.141 0.000) 5.779 4.869 ( -0.290 -3.902 0.000) 3.912 5.977 ( -0.143 9.174 0.000) 9.175 5.979 ( -0.191 10.045 0.000) 10.047 6.096 ( 0.740 6.403 0.000) 6.446 6.138 ( -0.846 6.113 0.000) 6.171 6.511 ( -0.091 -3.964 0.000) 3.965 6.549 ( 1.024 -5.022 0.000) 5.125 6.560 ( -1.512 -5.522 0.000) 5.725 6.601 ( -1.214 -4.568 0.000) 4.727 7.279 ( 0.601 6.598 0.000) 6.625 7.305 ( 1.553 7.516 0.000) 7.674 7.329 ( -1.232 7.679 0.000) 7.777 7.371 ( -1.449 7.731 0.000) 7.866 7.630 ( -0.432 -3.267 0.000) 3.296 7.639 ( -0.515 -2.958 0.000) 3.003 7.680 ( 1.415 -4.251 0.000) 4.480 7.699 ( 0.779 -5.004 0.000) 5.065 8.305 ( 1.544 -4.721 0.000) 4.967 8.386 ( -1.653 -4.666 0.000) 4.950 8.427 ( 2.806 -8.208 0.000) 8.674 8.496 ( -0.491 -7.481 0.000) 7.497 12.149 ( 0.286 -1.709 0.000) 1.733 12.163 ( -0.328 -1.734 0.000) 1.765 12.178 ( 0.186 -1.959 0.000) 1.968 12.178 ( 0.050 -2.046 0.000) 2.047 15.825 ( 0.649 3.349 0.000) 3.411 15.868 ( -1.231 5.303 0.000) 5.444 15.926 ( 1.831 6.809 0.000) 7.051 16.072 ( -0.626 -1.610 0.000) 1.728 16.110 ( -3.381 2.875 0.000) 4.438 16.275 ( -4.488 -3.257 0.000) 5.546 16.354 ( 2.932 -5.158 0.000) 5.933 16.401 ( 0.523 -1.608 0.000) 1.691 16.570 ( -0.035 -3.912 0.000) 3.912 16.575 ( 2.281 -3.464 0.000) 4.148 16.609 ( -0.468 -3.027 0.000) 3.063 16.614 ( 0.809 -9.136 0.000) 9.172 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -6.739 5.714 0.000) 8.836 0.682 ( 6.739 5.714 0.000) 8.836 0.857 ( -4.615 5.484 0.000) 7.167 0.857 ( 4.615 5.484 0.000) 7.167 0.951 ( -4.211 7.301 0.000) 8.428 0.951 ( 4.211 7.301 0.000) 8.428 1.038 ( -0.514 4.804 0.000) 4.832 1.038 ( 0.514 4.804 0.000) 4.832 1.190 ( -1.232 3.371 0.000) 3.589 1.190 ( 1.232 3.371 0.000) 3.589 1.329 ( -2.411 -1.523 0.000) 2.852 1.329 ( 2.411 -1.523 0.000) 2.852 1.428 ( -1.881 0.736 0.000) 2.020 1.428 ( 1.881 0.736 0.000) 2.020 1.605 ( -3.290 10.444 0.000) 10.950 1.605 ( 3.290 10.444 0.000) 10.950 1.862 ( -4.408 7.687 0.000) 8.861 1.862 ( 4.408 7.687 0.000) 8.861 2.008 ( -4.813 14.706 0.000) 15.474 2.008 ( 4.813 14.706 0.000) 15.474 2.296 ( -3.701 2.052 0.000) 4.232 2.296 ( 3.701 2.052 0.000) 4.232 2.477 ( -1.327 1.538 0.000) 2.031 2.477 ( 1.327 1.538 0.000) 2.031 2.644 ( -2.064 0.303 0.000) 2.086 2.644 ( 2.064 0.303 0.000) 2.086 2.675 ( -4.294 -2.164 0.000) 4.808 2.675 ( 4.294 -2.164 0.000) 4.808 3.045 ( -4.675 -0.839 0.000) 4.750 3.045 ( 4.675 -0.839 0.000) 4.750 3.083 ( -0.206 4.714 0.000) 4.719 3.083 ( 0.206 4.714 0.000) 4.719 3.218 ( -3.848 -2.793 0.000) 4.755 3.218 ( 3.848 -2.793 0.000) 4.755 3.389 ( -6.994 -3.662 0.000) 7.895 3.389 ( 6.994 -3.662 0.000) 7.895 4.085 ( -2.359 0.661 0.000) 2.450 4.085 ( 2.359 0.661 0.000) 2.450 4.247 ( -1.133 11.200 0.000) 11.257 4.247 ( 1.133 11.200 0.000) 11.257 4.400 ( -1.077 12.839 0.000) 12.884 4.400 ( 1.077 12.839 0.000) 12.884 4.496 ( -5.074 -3.991 0.000) 6.456 4.496 ( 5.074 -3.991 0.000) 6.456 4.697 ( -5.411 3.989 0.000) 6.722 4.697 ( 5.411 3.989 0.000) 6.722 4.861 ( -1.127 -5.540 0.000) 5.653 4.861 ( 1.127 -5.540 0.000) 5.653 5.976 ( -0.056 9.604 0.000) 9.605 5.976 ( 0.056 9.604 0.000) 9.605 6.116 ( -1.202 6.266 0.000) 6.381 6.116 ( 1.202 6.266 0.000) 6.381 6.526 ( -1.511 -4.907 0.000) 5.134 6.526 ( 1.511 -4.907 0.000) 5.134 6.573 ( -1.403 -4.920 0.000) 5.116 6.573 ( 1.403 -4.920 0.000) 5.116 7.300 ( -1.400 7.203 0.000) 7.338 7.300 ( 1.400 7.203 0.000) 7.338 7.339 ( -1.728 8.057 0.000) 8.241 7.339 ( 1.728 8.057 0.000) 8.241 7.629 ( -0.326 -3.089 0.000) 3.106 7.629 ( 0.326 -3.089 0.000) 3.106 7.702 ( -0.600 -4.837 0.000) 4.874 7.702 ( 0.600 -4.837 0.000) 4.874 8.345 ( -2.266 -4.666 0.000) 5.187 8.345 ( 2.266 -4.666 0.000) 5.187 8.475 ( -1.755 -8.304 0.000) 8.488 8.475 ( 1.755 -8.304 0.000) 8.488 12.156 ( -0.391 -1.736 0.000) 1.779 12.156 ( 0.391 -1.736 0.000) 1.779 12.179 ( -0.007 -2.006 0.000) 2.006 12.179 ( 0.007 -2.006 0.000) 2.006 15.844 ( -1.152 4.114 0.000) 4.273 15.844 ( 1.152 4.114 0.000) 4.273 15.981 ( -3.907 7.041 0.000) 8.052 15.981 ( 3.907 7.041 0.000) 8.052 16.176 ( -4.995 -2.899 0.000) 5.775 16.176 ( 4.995 -2.899 0.000) 5.775 16.394 ( -1.242 -3.296 0.000) 3.523 16.394 ( 1.242 -3.296 0.000) 3.523 16.578 ( -0.806 -3.028 0.000) 3.134 16.578 ( 0.806 -3.028 0.000) 3.134 16.620 ( -0.470 -8.069 0.000) 8.083 16.620 ( 0.470 -8.069 0.000) 8.083 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 12.927 0.000) 12.927 0.871 ( 0.000 6.805 0.000) 6.805 0.898 ( 0.000 3.013 0.000) 3.013 1.000 ( 0.000 7.812 0.000) 7.812 1.036 ( 0.000 0.285 0.000) 0.285 1.098 ( 0.000 2.531 0.000) 2.531 1.105 ( 0.000 3.753 0.000) 3.753 1.160 ( 0.000 -3.657 0.000) 3.657 1.181 ( 0.000 4.599 0.000) 4.599 1.208 ( 0.000 0.740 0.000) 0.740 1.268 ( 0.000 0.915 0.000) 0.915 1.274 ( 0.000 -4.917 0.000) 4.917 1.431 ( 0.000 4.257 0.000) 4.257 1.567 ( 0.000 4.345 0.000) 4.345 1.684 ( 0.000 -1.300 0.000) 1.300 1.782 ( 0.000 -7.628 0.000) 7.628 1.928 ( 0.000 14.157 0.000) 14.157 2.122 ( 0.000 4.093 0.000) 4.093 2.152 ( 0.000 4.396 0.000) 4.396 2.166 ( 0.000 1.231 0.000) 1.231 2.231 ( 0.000 11.466 0.000) 11.466 2.354 ( 0.000 -5.572 0.000) 5.572 2.440 ( 0.000 -8.234 0.000) 8.234 2.591 ( 0.000 -5.270 0.000) 5.270 2.652 ( 0.000 7.822 0.000) 7.822 2.692 ( 0.000 -0.977 0.000) 0.977 2.707 ( 0.000 0.875 0.000) 0.875 2.779 ( 0.000 1.297 0.000) 1.297 2.872 ( 0.000 -0.865 0.000) 0.865 2.933 ( 0.000 -4.379 0.000) 4.379 3.117 ( 0.000 2.824 0.000) 2.824 3.168 ( 0.000 -0.452 0.000) 0.452 3.204 ( 0.000 3.381 0.000) 3.381 3.216 ( 0.000 1.004 0.000) 1.004 3.516 ( 0.000 1.198 0.000) 1.198 3.538 ( 0.000 -1.397 0.000) 1.397 3.905 ( 0.000 9.562 0.000) 9.562 4.063 ( 0.000 0.745 0.000) 0.745 4.164 ( 0.000 -3.990 0.000) 3.990 4.268 ( 0.000 -7.776 0.000) 7.776 4.527 ( 0.000 3.480 0.000) 3.480 4.572 ( 0.000 9.045 0.000) 9.045 4.603 ( 0.000 6.212 0.000) 6.212 4.690 ( 0.000 8.287 0.000) 8.287 4.721 ( 0.000 -0.537 0.000) 0.537 4.734 ( 0.000 3.920 0.000) 3.920 4.837 ( 0.000 1.044 0.000) 1.044 4.888 ( 0.000 4.029 0.000) 4.029 6.141 ( 0.000 7.354 0.000) 7.354 6.161 ( 0.000 7.941 0.000) 7.941 6.201 ( 0.000 4.701 0.000) 4.701 6.250 ( 0.000 4.017 0.000) 4.017 6.440 ( 0.000 -4.021 0.000) 4.021 6.448 ( 0.000 -3.995 0.000) 3.995 6.478 ( 0.000 -3.927 0.000) 3.927 6.527 ( 0.000 -4.592 0.000) 4.592 7.382 ( 0.000 4.715 0.000) 4.715 7.405 ( 0.000 4.180 0.000) 4.180 7.474 ( 0.000 4.914 0.000) 4.914 7.494 ( 0.000 3.670 0.000) 3.670 7.578 ( 0.000 -2.744 0.000) 2.744 7.586 ( 0.000 -3.068 0.000) 3.068 7.597 ( 0.000 -1.490 0.000) 1.490 7.613 ( 0.000 -2.644 0.000) 2.644 8.206 ( 0.000 -3.253 0.000) 3.253 8.259 ( 0.000 -5.930 0.000) 5.930 8.323 ( 0.000 -3.164 0.000) 3.164 8.371 ( 0.000 -5.701 0.000) 5.701 12.119 ( 0.000 -0.898 0.000) 0.898 12.138 ( 0.000 -1.246 0.000) 1.246 12.139 ( 0.000 -1.772 0.000) 1.772 12.140 ( 0.000 -1.395 0.000) 1.395 15.874 ( 0.000 2.523 0.000) 2.523 15.976 ( 0.000 -3.519 0.000) 3.519 16.003 ( 0.000 4.539 0.000) 4.539 16.007 ( 0.000 5.187 0.000) 5.187 16.191 ( 0.000 -1.510 0.000) 1.510 16.225 ( 0.000 -2.442 0.000) 2.442 16.260 ( 0.000 -2.563 0.000) 2.563 16.364 ( 0.000 -4.092 0.000) 4.092 16.445 ( 0.000 -3.764 0.000) 3.764 16.505 ( 0.000 -3.390 0.000) 3.390 16.541 ( 0.000 0.712 0.000) 0.712 16.588 ( 0.000 -1.478 0.000) 1.478 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 2.942 11.057 0.000) 11.442 0.873 ( -2.076 5.259 0.000) 5.654 0.895 ( 1.872 5.017 0.000) 5.355 1.008 ( -2.534 1.679 0.000) 3.040 1.016 ( 1.591 5.820 0.000) 6.033 1.093 ( -0.864 2.045 0.000) 2.220 1.111 ( 0.752 4.230 0.000) 4.297 1.156 ( -0.642 -0.382 0.000) 0.747 1.171 ( -0.268 1.499 0.000) 1.523 1.200 ( -0.727 -1.023 0.000) 1.255 1.277 ( 0.856 0.028 0.000) 0.857 1.285 ( 0.818 -3.964 0.000) 4.047 1.430 ( 0.268 4.237 0.000) 4.245 1.543 ( -2.983 3.832 0.000) 4.856 1.687 ( 0.218 -1.871 0.000) 1.884 1.727 ( -3.321 -3.997 0.000) 5.197 1.962 ( 3.153 12.539 0.000) 12.930 2.112 ( 1.036 7.303 0.000) 7.376 2.125 ( -1.991 7.570 0.000) 7.828 2.242 ( 1.507 6.911 0.000) 7.073 2.300 ( 7.253 -1.411 0.000) 7.389 2.376 ( 1.775 -3.828 0.000) 4.220 2.444 ( 0.166 -7.693 0.000) 7.695 2.507 ( -8.044 7.624 0.000) 11.083 2.584 ( -0.910 -1.626 0.000) 1.863 2.669 ( -2.377 0.449 0.000) 2.419 2.699 ( -0.690 1.227 0.000) 1.408 2.756 ( -3.683 0.328 0.000) 3.697 2.913 ( 5.642 -0.734 0.000) 5.689 3.025 ( 5.507 -3.718 0.000) 6.644 3.117 ( -0.751 1.860 0.000) 2.006 3.145 ( -2.060 0.066 0.000) 2.061 3.188 ( -0.064 2.865 0.000) 2.865 3.256 ( 2.622 -0.389 0.000) 2.651 3.362 ( -10.164 2.986 0.000) 10.594 3.465 ( -6.663 -2.511 0.000) 7.121 4.026 ( 7.608 5.697 0.000) 9.504 4.090 ( 2.185 1.287 0.000) 2.535 4.211 ( 3.770 -4.094 0.000) 5.566 4.294 ( 1.383 -7.166 0.000) 7.298 4.496 ( -0.929 6.448 0.000) 6.515 4.587 ( -1.819 5.712 0.000) 5.995 4.599 ( 1.909 7.883 0.000) 8.111 4.710 ( -2.485 5.829 0.000) 6.337 4.725 ( 3.063 7.110 0.000) 7.742 4.741 ( 1.823 -0.770 0.000) 1.979 4.810 ( -1.989 0.296 0.000) 2.011 4.866 ( -2.280 4.229 0.000) 4.804 6.142 ( 0.123 7.456 0.000) 7.457 6.156 ( -0.420 7.881 0.000) 7.892 6.208 ( 0.685 4.688 0.000) 4.738 6.243 ( -0.664 4.166 0.000) 4.218 6.430 ( -0.350 -3.845 0.000) 3.861 6.458 ( 0.712 -4.388 0.000) 4.446 6.463 ( -1.339 -3.967 0.000) 4.187 6.511 ( -1.432 -4.672 0.000) 4.886 7.395 ( 1.259 5.078 0.000) 5.232 7.424 ( 1.713 4.173 0.000) 4.511 7.459 ( -1.233 5.286 0.000) 5.428 7.492 ( -0.698 4.250 0.000) 4.307 7.572 ( -0.136 -2.317 0.000) 2.321 7.589 ( -0.706 -1.806 0.000) 1.939 7.600 ( 0.861 -3.614 0.000) 3.715 7.613 ( 0.052 -3.500 0.000) 3.501 8.224 ( 1.680 -3.128 0.000) 3.551 8.283 ( 2.127 -6.259 0.000) 6.610 8.306 ( -1.583 -3.085 0.000) 3.467 8.361 ( -1.069 -5.973 0.000) 6.068 12.122 ( 0.237 -0.937 0.000) 0.966 12.134 ( -0.280 -1.147 0.000) 1.181 12.140 ( 0.092 -1.744 0.000) 1.747 12.142 ( 0.067 -1.529 0.000) 1.530 15.887 ( 1.255 2.943 0.000) 3.200 15.965 ( -2.199 4.608 0.000) 5.105 16.005 ( 2.542 -3.707 0.000) 4.495 16.035 ( 1.197 3.581 0.000) 3.776 16.162 ( -1.695 1.832 0.000) 2.495 16.221 ( -3.342 -1.387 0.000) 3.619 16.259 ( 2.493 -4.191 0.000) 4.877 16.354 ( -1.253 -4.547 0.000) 4.717 16.466 ( 2.007 -3.217 0.000) 3.792 16.513 ( 0.748 -3.243 0.000) 3.328 16.539 ( -0.291 -0.542 0.000) 0.615 16.568 ( -1.941 -1.624 0.000) 2.531 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -3.871 7.680 0.000) 8.601 0.809 ( 3.871 7.680 0.000) 8.601 0.948 ( -3.122 3.373 0.000) 4.596 0.948 ( 3.122 3.373 0.000) 4.596 1.058 ( -2.339 3.115 0.000) 3.896 1.058 ( 2.339 3.115 0.000) 3.896 1.134 ( -1.305 4.690 0.000) 4.868 1.134 ( 1.305 4.690 0.000) 4.868 1.182 ( -0.960 -3.011 0.000) 3.160 1.182 ( 0.960 -3.011 0.000) 3.160 1.293 ( -0.329 -2.482 0.000) 2.503 1.293 ( 0.329 -2.482 0.000) 2.503 1.463 ( -3.488 4.392 0.000) 5.608 1.463 ( 3.488 4.392 0.000) 5.608 1.693 ( -0.574 -1.991 0.000) 2.072 1.693 ( 0.574 -1.991 0.000) 2.072 2.046 ( -4.793 10.813 0.000) 11.828 2.046 ( 4.793 10.813 0.000) 11.828 2.188 ( -5.765 7.741 0.000) 9.652 2.188 ( 5.765 7.741 0.000) 9.652 2.409 ( -2.224 1.742 0.000) 2.825 2.409 ( 2.224 1.742 0.000) 2.825 2.433 ( -0.900 -5.506 0.000) 5.579 2.433 ( 0.900 -5.506 0.000) 5.579 2.602 ( -3.239 1.375 0.000) 3.519 2.602 ( 3.239 1.375 0.000) 3.519 2.699 ( -1.359 1.098 0.000) 1.747 2.699 ( 1.359 1.098 0.000) 1.747 3.033 ( -6.172 0.616 0.000) 6.203 3.033 ( 6.172 0.616 0.000) 6.203 3.113 ( -2.525 -1.187 0.000) 2.790 3.113 ( 2.525 -1.187 0.000) 2.790 3.220 ( -3.825 2.224 0.000) 4.424 3.220 ( 3.825 2.224 0.000) 4.424 3.331 ( -5.470 -2.734 0.000) 6.115 3.331 ( 5.470 -2.734 0.000) 6.115 4.115 ( -0.851 2.543 0.000) 2.682 4.115 ( 0.851 2.543 0.000) 2.682 4.280 ( -2.646 -4.791 0.000) 5.473 4.280 ( 2.646 -4.791 0.000) 5.473 4.528 ( -3.470 5.792 0.000) 6.752 4.528 ( 3.470 5.792 0.000) 6.752 4.649 ( -3.059 8.289 0.000) 8.835 4.649 ( 3.059 8.289 0.000) 8.835 4.774 ( -1.744 -0.988 0.000) 2.005 4.774 ( 1.744 -0.988 0.000) 2.005 4.802 ( -3.796 5.378 0.000) 6.583 4.802 ( 3.796 5.378 0.000) 6.583 6.147 ( -0.396 7.692 0.000) 7.702 6.147 ( 0.396 7.692 0.000) 7.702 6.226 ( -0.980 4.486 0.000) 4.592 6.226 ( 0.980 4.486 0.000) 4.592 6.436 ( -0.997 -3.942 0.000) 4.066 6.436 ( 0.997 -3.942 0.000) 4.066 6.479 ( -1.449 -4.684 0.000) 4.903 6.479 ( 1.449 -4.684 0.000) 4.903 7.428 ( -1.816 5.543 0.000) 5.833 7.428 ( 1.816 5.543 0.000) 5.833 7.463 ( -1.975 4.374 0.000) 4.800 7.463 ( 1.975 4.374 0.000) 4.800 7.576 ( -0.475 -2.089 0.000) 2.142 7.576 ( 0.475 -2.089 0.000) 2.142 7.612 ( -0.281 -4.028 0.000) 4.037 7.612 ( 0.281 -4.028 0.000) 4.037 8.266 ( -2.294 -3.021 0.000) 3.793 8.266 ( 2.294 -3.021 0.000) 3.793 8.329 ( -2.127 -6.382 0.000) 6.727 8.329 ( 2.127 -6.382 0.000) 6.727 12.128 ( -0.329 -1.033 0.000) 1.084 12.128 ( 0.329 -1.033 0.000) 1.084 12.142 ( -0.074 -1.666 0.000) 1.667 12.142 ( 0.074 -1.666 0.000) 1.667 15.921 ( -2.081 3.823 0.000) 4.353 15.921 ( 2.081 3.823 0.000) 4.353 16.046 ( -0.614 -1.185 0.000) 1.335 16.046 ( 0.614 -1.185 0.000) 1.335 16.157 ( -1.991 2.271 0.000) 3.020 16.157 ( 1.991 2.271 0.000) 3.020 16.313 ( -2.641 -4.888 0.000) 5.556 16.313 ( 2.641 -4.888 0.000) 5.556 16.516 ( -2.607 -2.334 0.000) 3.499 16.516 ( 2.607 -2.334 0.000) 3.499 16.531 ( -0.978 -2.295 0.000) 2.494 16.531 ( 0.978 -2.295 0.000) 2.494 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 -9.887 0.000) 9.887 0.930 ( 0.000 9.887 0.000) 9.887 0.932 ( 0.000 -0.174 0.000) 0.174 0.932 ( 0.000 0.174 0.000) 0.174 1.127 ( 0.000 -0.722 0.000) 0.722 1.127 ( 0.000 0.722 0.000) 0.722 1.135 ( 0.000 -4.189 0.000) 4.189 1.135 ( 0.000 4.189 0.000) 4.189 1.196 ( 0.000 -0.001 0.000) 0.001 1.196 ( 0.000 0.001 0.000) 0.001 1.251 ( 0.000 -2.392 0.000) 2.392 1.251 ( 0.000 2.392 0.000) 2.392 1.566 ( 0.000 -8.398 0.000) 8.398 1.566 ( 0.000 8.398 0.000) 8.398 1.656 ( 0.000 -5.449 0.000) 5.449 1.656 ( 0.000 5.449 0.000) 5.449 2.178 ( 0.000 -2.562 0.000) 2.562 2.178 ( 0.000 2.562 0.000) 2.562 2.218 ( 0.000 -12.121 0.000) 12.121 2.218 ( 0.000 12.121 0.000) 12.121 2.232 ( 0.000 -6.696 0.000) 6.696 2.232 ( 0.000 6.696 0.000) 6.696 2.438 ( 0.000 -9.521 0.000) 9.521 2.438 ( 0.000 9.521 0.000) 9.521 2.698 ( 0.000 -1.033 0.000) 1.033 2.698 ( 0.000 1.033 0.000) 1.033 2.794 ( 0.000 -4.709 0.000) 4.709 2.794 ( 0.000 4.709 0.000) 4.709 2.854 ( 0.000 -0.308 0.000) 0.308 2.854 ( 0.000 0.308 0.000) 0.308 3.157 ( 0.000 -1.199 0.000) 1.199 3.157 ( 0.000 1.199 0.000) 1.199 3.231 ( 0.000 -0.154 0.000) 0.154 3.231 ( 0.000 0.154 0.000) 0.154 3.528 ( 0.000 -0.172 0.000) 0.172 3.528 ( 0.000 0.172 0.000) 0.172 4.095 ( 0.000 -9.838 0.000) 9.838 4.095 ( 0.000 9.838 0.000) 9.838 4.096 ( 0.000 -2.727 0.000) 2.727 4.096 ( 0.000 2.727 0.000) 2.727 4.586 ( 0.000 -2.914 0.000) 2.914 4.586 ( 0.000 2.914 0.000) 2.914 4.702 ( 0.000 -4.154 0.000) 4.154 4.702 ( 0.000 4.154 0.000) 4.154 4.776 ( 0.000 -0.832 0.000) 0.832 4.776 ( 0.000 0.832 0.000) 0.832 4.911 ( 0.000 -2.446 0.000) 2.446 4.911 ( 0.000 2.446 0.000) 2.446 6.237 ( 0.000 -1.818 0.000) 1.818 6.237 ( 0.000 1.818 0.000) 1.818 6.268 ( 0.000 -2.702 0.000) 2.702 6.268 ( 0.000 2.702 0.000) 2.702 6.397 ( 0.000 -0.249 0.000) 0.249 6.397 ( 0.000 0.249 0.000) 0.249 6.456 ( 0.000 -1.961 0.000) 1.961 6.456 ( 0.000 1.961 0.000) 1.961 7.438 ( 0.000 -0.707 0.000) 0.707 7.438 ( 0.000 0.707 0.000) 0.707 7.518 ( 0.000 -0.382 0.000) 0.382 7.518 ( 0.000 0.382 0.000) 0.382 7.552 ( 0.000 -0.232 0.000) 0.232 7.552 ( 0.000 0.232 0.000) 0.232 7.593 ( 0.000 -0.218 0.000) 0.218 7.593 ( 0.000 0.218 0.000) 0.218 8.185 ( 0.000 -1.402 0.000) 1.402 8.185 ( 0.000 1.402 0.000) 1.402 8.302 ( 0.000 -1.263 0.000) 1.263 8.302 ( 0.000 1.263 0.000) 1.263 12.116 ( 0.000 -0.564 0.000) 0.564 12.116 ( 0.000 0.564 0.000) 0.564 12.126 ( 0.000 -0.063 0.000) 0.063 12.126 ( 0.000 0.063 0.000) 0.063 15.919 ( 0.000 -2.461 0.000) 2.461 15.919 ( 0.000 2.461 0.000) 2.461 16.058 ( 0.000 -0.529 0.000) 0.529 16.058 ( 0.000 0.529 0.000) 0.529 16.188 ( 0.000 -1.147 0.000) 1.147 16.188 ( 0.000 1.147 0.000) 1.147 16.263 ( 0.000 -3.569 0.000) 3.569 16.263 ( 0.000 3.569 0.000) 3.569 16.450 ( 0.000 -2.157 0.000) 2.157 16.450 ( 0.000 2.157 0.000) 2.157 16.561 ( 0.000 -1.296 0.000) 1.296 16.561 ( 0.000 1.296 0.000) 1.296 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.554 -8.747 0.000) 8.764 0.935 ( 0.554 8.747 0.000) 8.764 0.939 ( 0.603 -0.773 0.000) 0.980 0.939 ( 0.603 0.773 0.000) 0.980 1.114 ( -1.138 -0.583 0.000) 1.278 1.114 ( -1.138 0.583 0.000) 1.278 1.116 ( -1.468 -4.774 0.000) 4.995 1.116 ( -1.468 4.774 0.000) 4.995 1.210 ( 1.098 -3.820 0.000) 3.974 1.210 ( 1.098 3.820 0.000) 3.974 1.247 ( -0.420 -2.876 0.000) 2.906 1.247 ( -0.420 2.876 0.000) 2.906 1.566 ( 0.290 -8.453 0.000) 8.458 1.566 ( 0.290 8.453 0.000) 8.458 1.631 ( -2.210 -5.246 0.000) 5.693 1.631 ( -2.210 5.246 0.000) 5.693 2.210 ( 2.657 -9.854 0.000) 10.206 2.210 ( 2.657 9.854 0.000) 10.206 2.248 ( 3.208 -8.717 0.000) 9.289 2.248 ( 3.208 8.717 0.000) 9.289 2.259 ( 1.599 -6.732 0.000) 6.919 2.259 ( 1.599 6.732 0.000) 6.919 2.412 ( -2.516 -8.437 0.000) 8.804 2.412 ( -2.516 8.437 0.000) 8.804 2.694 ( -0.513 -1.400 0.000) 1.491 2.694 ( -0.513 1.400 0.000) 1.491 2.713 ( -3.969 -5.757 0.000) 6.992 2.713 ( -3.969 5.757 0.000) 6.992 2.949 ( 6.047 -3.828 0.000) 7.157 2.949 ( 6.047 3.828 0.000) 7.157 3.143 ( -1.626 -0.737 0.000) 1.785 3.143 ( -1.626 0.737 0.000) 1.785 3.233 ( 0.541 -1.979 0.000) 2.052 3.233 ( 0.541 1.979 0.000) 2.052 3.418 ( -8.738 -2.681 0.000) 9.140 3.418 ( -8.738 2.681 0.000) 9.140 4.133 ( 3.099 -3.336 0.000) 4.553 4.133 ( 3.099 3.336 0.000) 4.553 4.153 ( 3.746 -7.263 0.000) 8.172 4.153 ( 3.746 7.263 0.000) 8.172 4.591 ( 0.836 -4.115 0.000) 4.199 4.591 ( 0.836 4.115 0.000) 4.199 4.682 ( -1.986 -4.231 0.000) 4.674 4.682 ( -1.986 4.231 0.000) 4.674 4.799 ( 2.061 -1.249 0.000) 2.410 4.799 ( 2.061 1.249 0.000) 2.410 4.892 ( -1.804 -2.661 0.000) 3.215 4.892 ( -1.804 2.661 0.000) 3.215 6.241 ( 0.384 -2.109 0.000) 2.144 6.241 ( 0.384 2.109 0.000) 2.144 6.263 ( -0.457 -2.703 0.000) 2.741 6.263 ( -0.457 2.703 0.000) 2.741 6.397 ( 0.120 -1.162 0.000) 1.169 6.397 ( 0.120 1.162 0.000) 1.169 6.439 ( -1.471 -1.955 0.000) 2.446 6.439 ( -1.471 1.955 0.000) 2.446 7.455 ( 1.665 -0.867 0.000) 1.877 7.455 ( 1.665 0.867 0.000) 1.877 7.518 ( -0.278 -1.075 0.000) 1.111 7.518 ( -0.278 1.075 0.000) 1.111 7.555 ( 0.293 -0.788 0.000) 0.840 7.555 ( 0.293 0.788 0.000) 0.840 7.579 ( -1.124 -0.414 0.000) 1.198 7.579 ( -1.124 0.414 0.000) 1.198 8.205 ( 1.855 -1.547 0.000) 2.416 8.205 ( 1.855 1.547 0.000) 2.416 8.287 ( -1.410 -1.422 0.000) 2.003 8.287 ( -1.410 1.422 0.000) 2.003 12.117 ( 0.158 -0.523 0.000) 0.546 12.117 ( 0.158 0.523 0.000) 0.546 12.125 ( -0.117 -0.233 0.000) 0.261 12.125 ( -0.117 0.233 0.000) 0.261 15.941 ( 2.044 -2.944 0.000) 3.584 15.941 ( 2.044 2.944 0.000) 3.584 16.038 ( -1.884 -2.652 0.000) 3.253 16.038 ( -1.884 2.652 0.000) 3.253 16.198 ( 0.962 -2.323 0.000) 2.514 16.198 ( 0.962 2.323 0.000) 2.514 16.254 ( -1.016 -4.431 0.000) 4.546 16.254 ( -1.016 4.431 0.000) 4.546 16.464 ( 1.413 -1.697 0.000) 2.208 16.464 ( 1.413 1.697 0.000) 2.208 16.544 ( -1.651 -0.836 0.000) 1.850 16.544 ( -1.651 0.836 0.000) 1.850 ======================= Grid point 24 (15/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.202 -4.777 0.000) 4.781 0.946 ( 0.202 -4.777 0.000) 4.781 0.946 ( -0.202 4.777 0.000) 4.781 0.946 ( 0.202 4.777 0.000) 4.781 1.097 ( -0.042 -2.495 0.000) 2.495 1.097 ( 0.042 -2.495 0.000) 2.495 1.097 ( -0.042 2.495 0.000) 2.495 1.097 ( 0.042 2.495 0.000) 2.495 1.232 ( -1.035 -3.829 0.000) 3.967 1.232 ( 1.035 -3.829 0.000) 3.967 1.232 ( -1.035 3.829 0.000) 3.967 1.232 ( 1.035 3.829 0.000) 3.967 1.586 ( -1.826 -7.357 0.000) 7.581 1.586 ( 1.826 -7.357 0.000) 7.581 1.586 ( -1.826 7.357 0.000) 7.581 1.586 ( 1.826 7.357 0.000) 7.581 2.258 ( -1.690 -10.170 0.000) 10.310 2.258 ( 1.690 -10.170 0.000) 10.310 2.258 ( -1.690 10.170 0.000) 10.310 2.258 ( 1.690 10.170 0.000) 10.310 2.337 ( -4.839 -6.183 0.000) 7.851 2.337 ( 4.839 -6.183 0.000) 7.851 2.337 ( -4.839 6.183 0.000) 7.851 2.337 ( 4.839 6.183 0.000) 7.851 2.680 ( -0.387 -3.369 0.000) 3.391 2.680 ( 0.387 -3.369 0.000) 3.391 2.680 ( -0.387 3.369 0.000) 3.391 2.680 ( 0.387 3.369 0.000) 3.391 3.072 ( -5.641 -2.711 0.000) 6.258 3.072 ( -5.641 2.711 0.000) 6.258 3.072 ( 5.641 -2.711 0.000) 6.258 3.072 ( 5.641 2.711 0.000) 6.258 3.273 ( -4.324 -3.156 0.000) 5.354 3.273 ( 4.324 -3.156 0.000) 5.354 3.273 ( -4.324 3.156 0.000) 5.354 3.273 ( 4.324 3.156 0.000) 5.354 4.183 ( -1.001 -4.549 0.000) 4.658 4.183 ( 1.001 -4.549 0.000) 4.658 4.183 ( -1.001 4.549 0.000) 4.658 4.183 ( 1.001 4.549 0.000) 4.658 4.630 ( -2.825 -4.685 0.000) 5.470 4.630 ( 2.825 -4.685 0.000) 5.470 4.630 ( -2.825 4.685 0.000) 5.470 4.630 ( 2.825 4.685 0.000) 5.470 4.847 ( -2.512 -2.226 0.000) 3.356 4.847 ( 2.512 -2.226 0.000) 3.356 4.847 ( -2.512 2.226 0.000) 3.356 4.847 ( 2.512 2.226 0.000) 3.356 6.252 ( -0.601 -2.560 0.000) 2.630 6.252 ( 0.601 -2.560 0.000) 2.630 6.252 ( -0.601 2.560 0.000) 2.630 6.252 ( 0.601 2.560 0.000) 2.630 6.409 ( -1.227 -1.802 0.000) 2.180 6.409 ( 1.227 -1.802 0.000) 2.180 6.409 ( -1.227 1.802 0.000) 2.180 6.409 ( 1.227 1.802 0.000) 2.180 7.495 ( -1.934 -1.119 0.000) 2.235 7.495 ( 1.934 -1.119 0.000) 2.235 7.495 ( -1.934 1.119 0.000) 2.235 7.495 ( 1.934 1.119 0.000) 2.235 7.563 ( -0.473 -0.916 0.000) 1.031 7.563 ( 0.473 -0.916 0.000) 1.031 7.563 ( -0.473 0.916 0.000) 1.031 7.563 ( 0.473 0.916 0.000) 1.031 8.249 ( -2.269 -1.624 0.000) 2.790 8.249 ( 2.269 -1.624 0.000) 2.790 8.249 ( -2.269 1.624 0.000) 2.790 8.249 ( 2.269 1.624 0.000) 2.790 12.121 ( -0.199 -0.408 0.000) 0.454 12.121 ( 0.199 -0.408 0.000) 0.454 12.121 ( -0.199 0.408 0.000) 0.454 12.121 ( 0.199 0.408 0.000) 0.454 15.991 ( -2.656 -3.501 0.000) 4.394 15.991 ( 2.656 -3.501 0.000) 4.394 15.991 ( -2.656 3.501 0.000) 4.394 15.991 ( 2.656 3.501 0.000) 4.394 16.225 ( -1.627 -4.125 0.000) 4.434 16.225 ( 1.627 -4.125 0.000) 4.434 16.225 ( -1.627 4.125 0.000) 4.434 16.225 ( 1.627 4.125 0.000) 4.434 16.503 ( -2.264 -0.576 0.000) 2.336 16.503 ( -2.264 0.576 0.000) 2.336 16.503 ( 2.264 -0.576 0.000) 2.336 16.503 ( 2.264 0.576 0.000) 2.336 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 0.000 14.938) 14.938 0.403 ( 0.000 0.000 19.464) 19.464 0.533 ( 0.000 0.000 25.778) 25.778 0.613 ( 0.000 0.000 5.363) 5.363 0.676 ( 0.000 0.000 12.298) 12.298 0.808 ( 0.000 0.000 -6.161) 6.161 0.828 ( 0.000 0.000 -1.338) 1.338 0.901 ( 0.000 0.000 -2.284) 2.284 0.965 ( 0.000 0.000 -4.044) 4.044 1.015 ( 0.000 0.000 9.857) 9.857 1.066 ( 0.000 0.000 11.375) 11.375 1.261 ( 0.000 0.000 -2.208) 2.208 1.286 ( 0.000 0.000 4.374) 4.374 1.370 ( 0.000 0.000 0.569) 0.569 1.418 ( 0.000 0.000 -0.404) 0.404 1.485 ( 0.000 0.000 3.133) 3.133 1.576 ( 0.000 0.000 -5.015) 5.015 1.650 ( 0.000 0.000 -2.885) 2.885 1.884 ( 0.000 0.000 -2.383) 2.383 2.192 ( 0.000 0.000 1.615) 1.615 2.228 ( 0.000 0.000 -7.508) 7.508 2.238 ( 0.000 0.000 -5.141) 5.141 2.273 ( 0.000 0.000 -7.029) 7.029 2.374 ( 0.000 0.000 -1.603) 1.603 2.492 ( 0.000 0.000 -6.160) 6.160 2.496 ( 0.000 0.000 6.897) 6.897 2.730 ( 0.000 0.000 2.934) 2.934 2.813 ( 0.000 0.000 -14.024) 14.024 2.869 ( 0.000 0.000 1.274) 1.274 2.953 ( 0.000 0.000 -1.891) 1.891 3.016 ( 0.000 0.000 -1.035) 1.035 3.076 ( 0.000 0.000 -1.175) 1.175 3.208 ( 0.000 0.000 1.123) 1.123 3.345 ( 0.000 0.000 -2.029) 2.029 3.704 ( 0.000 0.000 5.366) 5.366 3.813 ( 0.000 0.000 5.146) 5.146 3.822 ( 0.000 0.000 1.858) 1.858 3.842 ( 0.000 0.000 1.657) 1.657 4.031 ( 0.000 0.000 -1.866) 1.866 4.087 ( 0.000 0.000 0.627) 0.627 4.089 ( 0.000 0.000 1.410) 1.410 4.140 ( 0.000 0.000 0.145) 0.145 4.404 ( 0.000 0.000 1.269) 1.269 4.509 ( 0.000 0.000 -0.774) 0.774 4.741 ( 0.000 0.000 -1.011) 1.011 4.811 ( 0.000 0.000 -3.546) 3.546 4.921 ( 0.000 0.000 1.235) 1.235 4.968 ( 0.000 0.000 1.131) 1.131 5.734 ( 0.000 0.000 1.974) 1.974 5.766 ( 0.000 0.000 0.942) 0.942 5.915 ( 0.000 0.000 -1.241) 1.241 5.980 ( 0.000 0.000 -1.833) 1.833 6.595 ( 0.000 0.000 0.678) 0.678 6.672 ( 0.000 0.000 -0.476) 0.476 6.709 ( 0.000 0.000 -0.732) 0.732 6.717 ( 0.000 0.000 -0.693) 0.693 7.061 ( 0.000 0.000 0.660) 0.660 7.082 ( 0.000 0.000 0.237) 0.237 7.119 ( 0.000 0.000 -0.302) 0.302 7.140 ( 0.000 0.000 -0.535) 0.535 7.716 ( 0.000 0.000 0.181) 0.181 7.731 ( 0.000 0.000 -1.211) 1.211 7.793 ( 0.000 0.000 0.333) 0.333 7.833 ( 0.000 0.000 -0.707) 0.707 8.418 ( 0.000 0.000 1.540) 1.540 8.544 ( 0.000 0.000 -1.044) 1.044 8.574 ( 0.000 0.000 0.074) 0.074 8.659 ( 0.000 0.000 -0.743) 0.743 12.190 ( 0.000 0.000 0.026) 0.026 12.203 ( 0.000 0.000 -0.362) 0.362 12.221 ( 0.000 0.000 0.157) 0.157 12.231 ( 0.000 0.000 0.246) 0.246 15.696 ( 0.000 0.000 -0.294) 0.294 15.723 ( 0.000 0.000 0.817) 0.817 15.736 ( 0.000 0.000 -0.593) 0.593 15.772 ( 0.000 0.000 -0.247) 0.247 16.142 ( 0.000 0.000 0.714) 0.714 16.302 ( 0.000 0.000 -2.820) 2.820 16.333 ( 0.000 0.000 -3.749) 3.749 16.379 ( 0.000 0.000 -4.854) 4.854 16.602 ( 0.000 0.000 3.469) 3.469 16.700 ( 0.000 0.000 2.809) 2.809 16.902 ( 0.000 0.000 4.980) 4.980 17.246 ( 0.000 0.000 -1.815) 1.815 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 6.739 0.000 7.933) 10.409 0.399 ( 5.056 0.000 11.569) 12.625 0.590 ( -3.339 0.000 5.329) 6.289 0.762 ( -1.978 0.000 -2.309) 3.040 0.778 ( 10.030 0.000 9.052) 13.511 0.830 ( 10.769 0.000 10.266) 14.878 0.850 ( 2.072 0.000 -0.200) 2.082 0.894 ( -0.673 0.000 -2.211) 2.311 0.943 ( -0.180 0.000 -1.067) 1.082 1.017 ( -0.170 0.000 10.105) 10.106 1.069 ( 0.937 0.000 10.432) 10.474 1.260 ( 0.824 0.000 0.212) 0.850 1.297 ( 0.657 0.000 -0.275) 0.712 1.379 ( 1.109 0.000 2.304) 2.557 1.425 ( 0.251 0.000 -0.074) 0.262 1.434 ( -12.214 0.000 -2.160) 12.403 1.490 ( 1.074 0.000 2.940) 3.130 1.650 ( -0.710 0.000 -3.043) 3.125 1.789 ( -5.231 0.000 0.204) 5.235 2.072 ( -12.123 0.000 2.444) 12.367 2.221 ( 1.248 0.000 -5.040) 5.192 2.253 ( 0.386 0.000 -6.472) 6.484 2.311 ( 5.504 0.000 -3.708) 6.637 2.369 ( 0.001 0.000 -5.424) 5.424 2.463 ( -0.519 0.000 4.416) 4.446 2.480 ( -1.383 0.000 -5.658) 5.824 2.731 ( 0.295 0.000 2.722) 2.738 2.822 ( -3.610 0.000 1.252) 3.821 2.897 ( 7.069 0.000 -7.512) 10.315 2.977 ( 1.525 0.000 -1.419) 2.083 3.013 ( -0.342 0.000 -1.073) 1.126 3.191 ( 3.838 0.000 -0.558) 3.878 3.256 ( 3.411 0.000 -3.162) 4.651 3.290 ( -5.806 0.000 -1.752) 6.065 3.560 ( -10.165 0.000 7.850) 12.843 3.672 ( -5.537 0.000 1.190) 5.663 3.827 ( 0.410 0.000 1.866) 1.911 3.841 ( -0.157 0.000 1.731) 1.738 4.030 ( 3.649 0.000 4.553) 5.835 4.095 ( 0.660 0.000 1.180) 1.352 4.123 ( 2.368 0.000 1.961) 3.075 4.132 ( -0.768 0.000 0.289) 0.820 4.467 ( 6.116 0.000 0.246) 6.121 4.647 ( 1.773 0.000 -1.013) 2.042 4.702 ( -2.092 0.000 -1.733) 2.717 4.719 ( -2.867 0.000 -5.547) 6.244 4.960 ( 1.931 0.000 0.725) 2.062 5.045 ( 2.200 0.000 -1.508) 2.667 5.738 ( 0.371 0.000 1.832) 1.869 5.760 ( -0.525 0.000 1.106) 1.224 5.926 ( 0.989 0.000 -1.338) 1.664 5.971 ( -0.842 0.000 -1.753) 1.945 6.595 ( 1.106 0.000 -0.323) 1.152 6.674 ( -0.844 0.000 -1.545) 1.760 6.698 ( -0.457 0.000 -0.198) 0.498 6.711 ( -0.559 0.000 -0.515) 0.760 7.064 ( 0.259 0.000 0.600) 0.653 7.079 ( -0.337 0.000 0.305) 0.455 7.123 ( 0.354 0.000 -0.346) 0.495 7.137 ( -0.233 0.000 -0.507) 0.558 7.712 ( -0.162 0.000 0.281) 0.325 7.731 ( -0.869 0.000 1.003) 1.328 7.773 ( 1.229 0.000 -0.102) 1.233 7.845 ( -0.653 0.000 -0.435) 0.785 8.434 ( 1.591 0.000 1.522) 2.202 8.518 ( -1.843 0.000 1.345) 2.281 8.633 ( 2.608 0.000 -3.955) 4.738 8.666 ( 0.409 0.000 -1.538) 1.591 12.192 ( 0.230 0.000 -0.023) 0.232 12.202 ( -0.129 0.000 -0.284) 0.312 12.223 ( 0.138 0.000 -0.017) 0.139 12.229 ( -0.130 0.000 0.190) 0.230 15.699 ( 0.307 0.000 -0.161) 0.347 15.717 ( -0.445 0.000 0.482) 0.656 15.743 ( 0.574 0.000 -0.371) 0.683 15.767 ( -0.443 0.000 -0.266) 0.517 16.164 ( 2.444 0.000 0.085) 2.446 16.300 ( -2.039 0.000 -3.168) 3.767 16.351 ( 1.023 0.000 -5.621) 5.713 16.369 ( -0.201 0.000 -5.957) 5.960 16.632 ( 2.252 0.000 2.120) 3.093 16.694 ( -0.687 0.000 2.565) 2.655 16.929 ( 2.605 0.000 5.132) 5.756 17.119 ( -7.719 0.000 5.956) 9.750 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -5.061 0.000 7.925) 9.404 0.502 ( 5.061 0.000 7.925) 9.404 0.572 ( -13.229 0.000 -6.822) 14.884 0.572 ( 13.229 0.000 -6.822) 14.884 0.873 ( -1.440 0.000 -2.012) 2.474 0.873 ( 1.440 0.000 -2.012) 2.474 0.959 ( -0.556 0.000 5.224) 5.254 0.959 ( 0.556 0.000 5.224) 5.254 0.978 ( -5.046 0.000 10.181) 11.363 0.978 ( 5.046 0.000 10.181) 11.363 1.173 ( -11.282 0.000 3.704) 11.875 1.173 ( 11.282 0.000 3.704) 11.875 1.294 ( -1.351 0.000 -1.268) 1.853 1.294 ( 1.351 0.000 -1.268) 1.853 1.416 ( -1.538 0.000 1.887) 2.434 1.416 ( 1.538 0.000 1.887) 2.434 1.557 ( -6.132 0.000 -1.731) 6.371 1.557 ( 6.132 0.000 -1.731) 6.371 1.840 ( -9.319 0.000 5.721) 10.935 1.840 ( 9.319 0.000 5.721) 10.935 2.243 ( -0.956 0.000 -6.738) 6.806 2.243 ( 0.956 0.000 -6.738) 6.806 2.417 ( -3.671 0.000 -3.220) 4.883 2.417 ( 3.671 0.000 -3.220) 4.883 2.424 ( -4.495 0.000 -4.312) 6.229 2.424 ( 4.495 0.000 -4.312) 6.229 2.756 ( -2.430 0.000 2.061) 3.187 2.756 ( 2.430 0.000 2.061) 3.187 3.001 ( -0.888 0.000 -1.187) 1.482 3.001 ( 0.888 0.000 -1.187) 1.482 3.062 ( -9.473 0.000 1.865) 9.655 3.062 ( 9.473 0.000 1.865) 9.655 3.289 ( -0.625 0.000 -3.700) 3.752 3.289 ( 0.625 0.000 -3.700) 3.752 3.540 ( -5.576 0.000 2.418) 6.078 3.540 ( 5.576 0.000 2.418) 6.078 3.835 ( -0.386 0.000 1.840) 1.880 3.835 ( 0.386 0.000 1.840) 1.880 4.113 ( -1.026 0.000 0.692) 1.237 4.113 ( 1.026 0.000 0.692) 1.237 4.114 ( -3.344 0.000 0.176) 3.349 4.114 ( 3.344 0.000 0.176) 3.349 4.614 ( -7.000 0.000 -2.802) 7.540 4.614 ( 7.000 0.000 -2.802) 7.540 4.665 ( -1.752 0.000 1.222) 2.136 4.665 ( 1.752 0.000 1.222) 2.136 5.023 ( -3.225 0.000 -0.233) 3.234 5.023 ( 3.225 0.000 -0.233) 3.234 5.748 ( -0.609 0.000 1.479) 1.599 5.748 ( 0.609 0.000 1.479) 1.599 5.949 ( -1.269 0.000 -1.554) 2.006 5.949 ( 1.269 0.000 -1.554) 2.006 6.636 ( -2.456 0.000 -1.613) 2.939 6.636 ( 2.456 0.000 -1.613) 2.939 6.700 ( -0.445 0.000 -0.225) 0.498 6.700 ( 0.445 0.000 -0.225) 0.498 7.071 ( -0.396 0.000 0.456) 0.604 7.071 ( 0.396 0.000 0.456) 0.604 7.131 ( -0.390 0.000 -0.433) 0.583 7.131 ( 0.390 0.000 -0.433) 0.583 7.715 ( -0.544 0.000 1.042) 1.175 7.715 ( 0.544 0.000 1.042) 1.175 7.814 ( -2.166 0.000 -0.330) 2.191 7.814 ( 2.166 0.000 -0.330) 2.191 8.475 ( -2.278 0.000 1.538) 2.749 8.475 ( 2.278 0.000 1.538) 2.749 8.663 ( -0.731 0.000 -2.572) 2.674 8.663 ( 0.731 0.000 -2.572) 2.674 12.198 ( -0.284 0.000 -0.138) 0.315 12.198 ( 0.284 0.000 -0.138) 0.315 12.226 ( -0.165 0.000 0.057) 0.175 12.226 ( 0.165 0.000 0.057) 0.175 15.707 ( -0.477 0.000 0.147) 0.499 15.707 ( 0.477 0.000 0.147) 0.499 15.755 ( -0.663 0.000 -0.305) 0.730 15.755 ( 0.663 0.000 -0.305) 0.730 16.232 ( -3.951 0.000 -1.090) 4.098 16.232 ( 3.951 0.000 -1.090) 4.098 16.365 ( -0.506 0.000 -6.598) 6.618 16.365 ( 0.506 0.000 -6.598) 6.618 16.671 ( -1.569 0.000 2.032) 2.567 16.671 ( 1.569 0.000 2.032) 2.567 17.000 ( -4.506 0.000 6.022) 7.522 17.000 ( 4.506 0.000 6.022) 7.522 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 10.828 9.241) 14.235 0.442 ( 0.000 4.278 16.682) 17.222 0.706 ( 0.000 9.638 3.643) 10.303 0.775 ( 0.000 12.319 8.882) 15.188 0.788 ( 0.000 0.131 -4.492) 4.494 0.896 ( 0.000 4.731 -2.408) 5.308 0.944 ( 0.000 3.833 -1.659) 4.177 0.978 ( 0.000 3.919 -4.777) 6.179 1.097 ( 0.000 4.793 7.920) 9.258 1.174 ( 0.000 13.972 10.404) 17.420 1.275 ( 0.000 -0.711 3.820) 3.885 1.287 ( 0.000 5.076 2.382) 5.607 1.387 ( 0.000 6.975 -1.695) 7.178 1.403 ( 0.000 -1.342 -0.122) 1.348 1.468 ( 0.000 -1.289 2.901) 3.174 1.468 ( 0.000 19.661 -10.620) 22.345 1.709 ( 0.000 10.515 -9.373) 14.086 1.717 ( 0.000 12.783 -3.713) 13.312 1.921 ( 0.000 5.020 -3.261) 5.986 2.067 ( 0.000 -9.434 -6.023) 11.193 2.271 ( 0.000 1.428 1.797) 2.295 2.275 ( 0.000 2.582 -9.405) 9.753 2.408 ( 0.000 6.840 -4.259) 8.057 2.418 ( 0.000 8.137 -0.142) 8.138 2.461 ( 0.000 -1.240 5.397) 5.537 2.509 ( 0.000 1.625 -4.705) 4.978 2.733 ( 0.000 -0.355 0.752) 0.831 2.838 ( 0.000 2.536 -8.161) 8.546 2.931 ( 0.000 6.097 -0.061) 6.097 2.933 ( 0.000 -1.940 -1.248) 2.307 3.024 ( 0.000 0.772 -1.132) 1.370 3.049 ( 0.000 -2.455 -1.369) 2.811 3.206 ( 0.000 -0.044 0.851) 0.853 3.294 ( 0.000 -4.547 -1.161) 4.693 3.674 ( 0.000 -6.791 9.749) 11.881 3.675 ( 0.000 -2.547 2.924) 3.878 3.748 ( 0.000 -2.391 5.456) 5.957 4.005 ( 0.000 12.453 0.782) 12.478 4.077 ( 0.000 -0.731 0.264) 0.777 4.159 ( 0.000 6.352 2.482) 6.819 4.169 ( 0.000 7.874 -4.172) 8.911 4.303 ( 0.000 12.546 -4.663) 13.384 4.405 ( 0.000 0.144 0.729) 0.743 4.478 ( 0.000 -2.608 -1.047) 2.811 4.709 ( 0.000 -7.150 0.266) 7.155 4.744 ( 0.000 0.489 -1.700) 1.769 4.886 ( 0.000 -3.270 1.526) 3.609 4.937 ( 0.000 -2.481 0.818) 2.612 5.816 ( 0.000 7.724 1.778) 7.926 5.833 ( 0.000 6.549 1.003) 6.625 5.963 ( 0.000 4.739 -1.211) 4.892 6.042 ( 0.000 5.119 -1.017) 5.219 6.577 ( 0.000 -1.799 0.631) 1.907 6.630 ( 0.000 -3.967 0.102) 3.968 6.668 ( 0.000 -3.944 -0.561) 3.983 6.681 ( 0.000 -3.262 -0.778) 3.354 7.134 ( 0.000 6.678 0.150) 6.680 7.171 ( 0.000 4.761 -1.431) 4.971 7.186 ( 0.000 6.342 -0.661) 6.377 7.196 ( 0.000 7.185 -2.815) 7.716 7.692 ( 0.000 -2.284 -0.002) 2.284 7.707 ( 0.000 -2.410 -1.130) 2.662 7.754 ( 0.000 -5.410 1.985) 5.763 7.763 ( 0.000 -2.946 0.297) 2.961 8.381 ( 0.000 -3.516 1.317) 3.755 8.499 ( 0.000 -4.550 -0.941) 4.647 8.511 ( 0.000 -4.717 1.434) 4.930 8.612 ( 0.000 -4.662 -0.689) 4.713 12.177 ( 0.000 -1.283 0.046) 1.284 12.192 ( 0.000 -1.175 -0.366) 1.231 12.208 ( 0.000 -1.324 0.145) 1.332 12.217 ( 0.000 -1.374 0.271) 1.401 15.758 ( 0.000 2.192 -0.632) 2.282 15.763 ( 0.000 4.996 -0.283) 5.004 15.810 ( 0.000 3.766 -0.172) 3.770 15.912 ( 0.000 11.821 -12.189) 16.979 16.122 ( 0.000 -1.946 0.571) 2.028 16.280 ( 0.000 -2.384 -2.009) 3.117 16.327 ( 0.000 -0.338 -4.529) 4.542 16.357 ( 0.000 -2.228 -4.229) 4.780 16.589 ( 0.000 -1.319 2.990) 3.268 16.677 ( 0.000 -2.225 2.298) 3.199 16.835 ( 0.000 -6.447 5.411) 8.417 17.012 ( 0.000 -15.297 11.403) 19.079 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 5.676 9.203 4.331) 11.648 0.550 ( 5.346 10.329 7.470) 13.823 0.694 ( -2.438 7.927 3.641) 9.057 0.765 ( -1.700 1.350 -3.271) 3.926 0.859 ( 4.189 4.512 6.221) 8.752 0.895 ( -1.204 4.476 -2.043) 5.065 0.938 ( 0.109 3.872 -2.103) 4.408 0.951 ( -0.077 4.008 -1.142) 4.169 1.095 ( -0.009 5.125 7.158) 8.804 1.157 ( -2.004 9.139 6.727) 11.523 1.300 ( 0.998 2.731 1.681) 3.359 1.309 ( 2.706 9.198 4.682) 10.670 1.385 ( 1.012 4.126 0.537) 4.282 1.396 ( -1.528 0.665 0.981) 1.934 1.447 ( -1.654 21.412 -7.086) 22.615 1.482 ( 1.495 -0.159 3.372) 3.692 1.587 ( -6.275 12.806 -1.992) 14.399 1.729 ( -1.947 10.899 -3.894) 11.737 1.812 ( -5.964 3.371 0.339) 6.859 2.002 ( -6.371 -5.098 -0.556) 8.179 2.263 ( -2.017 0.563 -7.788) 8.064 2.285 ( -1.404 1.925 -1.296) 2.712 2.345 ( 1.555 -0.021 -3.044) 3.419 2.422 ( 1.364 9.340 0.170) 9.440 2.454 ( 1.771 2.471 -1.954) 3.614 2.553 ( 0.864 3.731 -1.903) 4.276 2.737 ( 0.238 -0.085 1.665) 1.684 2.825 ( -2.937 -0.537 -1.327) 3.267 2.927 ( 2.867 3.427 -3.252) 5.526 2.982 ( 1.893 0.991 -1.193) 2.447 3.033 ( 0.916 2.074 -0.947) 2.457 3.155 ( 4.686 -3.380 -0.815) 5.835 3.221 ( -0.859 -3.687 -3.653) 5.261 3.259 ( -2.106 -1.299 0.449) 2.515 3.470 ( -5.791 -5.292 7.873) 11.114 3.622 ( -5.862 -3.864 1.309) 7.142 3.923 ( 6.251 3.165 0.394) 7.018 4.000 ( 0.681 11.552 1.194) 11.633 4.056 ( -3.550 5.793 1.319) 6.921 4.113 ( 0.671 2.729 0.944) 2.965 4.195 ( 0.668 6.810 0.249) 6.847 4.222 ( -2.022 9.497 1.534) 9.830 4.460 ( 5.543 -0.953 -0.173) 5.627 4.608 ( 3.104 -3.883 -2.540) 5.582 4.646 ( -2.007 -4.290 -1.274) 4.905 4.719 ( -2.606 0.577 -2.469) 3.636 4.928 ( 1.425 -3.189 0.831) 3.591 4.970 ( 2.570 -5.730 0.533) 6.303 5.817 ( 0.138 7.509 1.678) 7.695 5.829 ( -0.370 6.685 1.131) 6.790 5.973 ( 0.980 4.710 -1.138) 4.944 6.027 ( -1.274 5.020 -1.015) 5.278 6.573 ( 0.465 -2.154 0.170) 2.211 6.635 ( -0.416 -3.691 -0.800) 3.800 6.654 ( -0.708 -4.118 -0.104) 4.180 6.674 ( -0.647 -3.432 -0.541) 3.534 7.138 ( 0.405 6.724 -0.053) 6.736 7.165 ( -0.706 6.453 -1.626) 6.692 7.186 ( -0.073 5.494 -0.480) 5.515 7.188 ( -0.209 6.365 -0.951) 6.439 7.688 ( -0.194 -2.381 0.133) 2.393 7.704 ( -0.730 -2.609 0.861) 2.843 7.746 ( 1.378 -2.759 -0.211) 3.091 7.795 ( 0.465 -4.373 -0.018) 4.398 8.399 ( 1.671 -3.481 1.350) 4.091 8.482 ( -1.660 -3.537 1.178) 4.081 8.558 ( 3.129 -6.571 -2.149) 7.589 8.613 ( -0.074 -5.070 -1.087) 5.186 12.179 ( 0.242 -1.276 0.002) 1.299 12.190 ( -0.157 -1.214 -0.255) 1.250 12.210 ( 0.149 -1.332 0.001) 1.340 12.216 ( -0.108 -1.356 0.188) 1.373 15.761 ( 0.218 2.704 -0.542) 2.767 15.763 ( 0.066 4.638 -0.414) 4.657 15.807 ( -0.175 4.211 -0.319) 4.227 15.855 ( -3.506 10.263 -4.894) 11.899 16.144 ( 2.571 -2.018 0.233) 3.277 16.292 ( -2.580 -0.902 -2.610) 3.779 16.325 ( 1.533 -2.656 -5.541) 6.334 16.354 ( 0.080 -1.339 -5.674) 5.831 16.610 ( 1.666 -2.165 1.965) 3.365 16.666 ( -0.970 -2.660 2.082) 3.514 16.859 ( 2.125 -6.736 5.659) 9.050 16.972 ( -3.085 -11.588 9.733) 15.445 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -7.464 6.082 -0.026) 9.628 0.595 ( 7.464 6.082 -0.026) 9.628 0.661 ( -4.879 9.395 -0.697) 10.609 0.661 ( 4.879 9.395 -0.697) 10.609 0.889 ( -0.310 1.291 0.853) 1.579 0.889 ( 0.310 1.291 0.853) 1.579 0.959 ( -0.389 3.428 2.570) 4.302 0.959 ( 0.389 3.428 2.570) 4.302 1.111 ( -1.888 6.308 4.860) 8.183 1.111 ( 1.888 6.308 4.860) 8.183 1.323 ( -1.871 7.109 0.774) 7.391 1.323 ( 1.871 7.109 0.774) 7.391 1.378 ( -1.152 3.660 2.537) 4.600 1.378 ( 1.152 3.660 2.537) 4.600 1.469 ( -2.532 9.617 2.446) 10.241 1.469 ( 2.532 9.617 2.446) 10.241 1.608 ( -7.550 10.297 -3.863) 13.340 1.608 ( 7.550 10.297 -3.863) 13.340 1.848 ( -7.339 1.424 4.563) 8.758 1.848 ( 7.339 1.424 4.563) 8.758 2.256 ( -1.185 -0.145 -6.035) 6.152 2.256 ( 1.185 -0.145 -6.035) 6.152 2.399 ( -2.747 2.334 -1.672) 3.973 2.399 ( 2.747 2.334 -1.672) 3.973 2.531 ( -3.327 6.506 -3.375) 8.049 2.531 ( 3.327 6.506 -3.375) 8.049 2.758 ( -2.483 -0.741 1.721) 3.111 2.758 ( 2.483 -0.741 1.721) 3.111 2.990 ( -1.616 0.099 -0.996) 1.901 2.990 ( 1.616 0.099 -0.996) 1.901 3.077 ( -4.832 1.453 1.766) 5.346 3.077 ( 4.832 1.453 1.766) 5.346 3.254 ( -1.542 -3.228 -3.146) 4.764 3.254 ( 1.542 -3.228 -3.146) 4.764 3.490 ( -5.747 -4.123 1.948) 7.337 3.490 ( 5.747 -4.123 1.948) 7.337 3.972 ( -1.712 11.508 0.150) 11.635 3.972 ( 1.712 11.508 0.150) 11.635 4.098 ( -3.175 0.853 0.495) 3.325 4.098 ( 3.175 0.853 0.495) 3.325 4.201 ( -0.706 7.296 0.614) 7.356 4.201 ( 0.706 7.296 0.614) 7.356 4.588 ( -5.524 -3.706 -1.786) 6.888 4.588 ( 5.524 -3.706 -1.786) 6.888 4.647 ( -3.030 -0.152 0.394) 3.060 4.647 ( 3.030 -0.152 0.394) 3.060 4.971 ( -2.010 -4.715 0.176) 5.128 4.971 ( 2.010 -4.715 0.176) 5.128 5.822 ( -0.321 7.052 1.422) 7.201 5.822 ( 0.321 7.052 1.422) 7.201 5.999 ( -1.435 4.772 -1.116) 5.107 5.999 ( 1.435 4.772 -1.116) 5.107 6.602 ( -2.067 -3.151 -0.810) 3.855 6.602 ( 2.067 -3.151 -0.810) 3.855 6.659 ( -0.728 -3.840 -0.184) 3.913 6.659 ( 0.728 -3.840 -0.184) 3.913 7.149 ( -0.743 6.926 -0.656) 6.996 7.149 ( 0.743 6.926 -0.656) 6.996 7.187 ( -0.094 5.564 -0.498) 5.587 7.187 ( 0.094 5.564 -0.498) 5.587 7.691 ( -0.492 -2.413 0.778) 2.583 7.691 ( 0.492 -2.413 0.778) 2.583 7.780 ( -1.602 -3.281 -0.349) 3.668 7.780 ( 1.602 -3.281 -0.349) 3.668 8.440 ( -2.286 -3.435 1.379) 4.351 8.440 ( 2.286 -3.435 1.379) 4.351 8.601 ( -1.235 -5.911 -1.977) 6.354 8.601 ( 1.235 -5.911 -1.977) 6.354 12.185 ( -0.298 -1.254 -0.109) 1.293 12.185 ( 0.298 -1.254 -0.109) 1.293 12.213 ( -0.158 -1.330 0.038) 1.340 12.213 ( 0.158 -1.330 0.038) 1.340 15.764 ( -0.073 3.795 -0.508) 3.830 15.764 ( 0.073 3.795 -0.508) 3.830 15.811 ( -0.901 6.437 -1.055) 6.585 15.811 ( 0.901 6.437 -1.055) 6.585 16.216 ( -4.219 -1.682 -0.870) 4.624 16.216 ( 4.219 -1.682 -0.870) 4.624 16.349 ( -0.733 -1.533 -6.317) 6.541 16.349 ( 0.733 -1.533 -6.317) 6.541 16.642 ( -1.442 -2.885 1.679) 3.636 16.642 ( 1.442 -2.885 1.679) 3.636 16.911 ( -2.930 -8.123 7.003) 11.118 16.911 ( 2.930 -8.123 7.003) 11.118 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 8.115 9.464) 12.466 0.676 ( 0.000 12.963 2.065) 13.126 0.829 ( 0.000 4.003 -1.195) 4.177 0.859 ( 0.000 6.930 0.589) 6.955 0.971 ( 0.000 6.928 2.076) 7.233 0.989 ( 0.000 4.807 -2.271) 5.317 1.022 ( 0.000 3.860 -1.349) 4.089 1.072 ( 0.000 6.288 -0.864) 6.347 1.164 ( 0.000 1.830 0.992) 2.081 1.233 ( 0.000 -1.056 0.403) 1.130 1.273 ( 0.000 0.605 2.874) 2.937 1.369 ( 0.000 -2.282 1.006) 2.494 1.434 ( 0.000 -1.395 2.678) 3.019 1.486 ( 0.000 4.815 1.222) 4.968 1.559 ( 0.000 12.031 3.537) 12.541 1.697 ( 0.000 10.304 0.233) 10.307 1.890 ( 0.000 -7.795 -5.877) 9.762 1.915 ( 0.000 8.282 -4.391) 9.374 1.981 ( 0.000 11.583 -0.871) 11.616 2.113 ( 0.000 11.283 -0.715) 11.305 2.265 ( 0.000 0.962 5.616) 5.698 2.281 ( 0.000 -2.509 -11.992) 12.252 2.454 ( 0.000 3.128 -1.828) 3.623 2.503 ( 0.000 2.135 -2.585) 3.353 2.558 ( 0.000 3.058 -1.784) 3.540 2.630 ( 0.000 8.725 0.236) 8.728 2.716 ( 0.000 -0.501 0.717) 0.874 2.866 ( 0.000 -0.768 -1.361) 1.563 2.894 ( 0.000 -1.689 -0.241) 1.707 3.000 ( 0.000 -2.298 -0.105) 2.301 3.048 ( 0.000 1.660 -1.414) 2.181 3.058 ( 0.000 5.030 -2.565) 5.646 3.212 ( 0.000 0.810 0.658) 1.043 3.213 ( 0.000 -2.231 0.463) 2.279 3.586 ( 0.000 -2.834 6.925) 7.482 3.612 ( 0.000 -3.613 2.057) 4.157 3.760 ( 0.000 4.039 2.160) 4.580 4.063 ( 0.000 -0.535 -0.001) 0.535 4.239 ( 0.000 2.529 2.268) 3.397 4.301 ( 0.000 14.133 0.613) 14.146 4.361 ( 0.000 8.403 -1.174) 8.485 4.376 ( 0.000 0.043 -1.341) 1.342 4.473 ( 0.000 4.336 -1.336) 4.538 4.540 ( 0.000 10.994 -2.549) 11.286 4.612 ( 0.000 -1.782 -0.067) 1.783 4.758 ( 0.000 -0.134 -2.200) 2.204 4.826 ( 0.000 -1.320 1.252) 1.820 4.880 ( 0.000 -3.325 0.156) 3.328 5.986 ( 0.000 9.017 0.798) 9.052 5.997 ( 0.000 9.856 1.504) 9.970 6.079 ( 0.000 6.770 -0.780) 6.815 6.153 ( 0.000 6.055 0.081) 6.056 6.527 ( 0.000 -3.366 0.545) 3.410 6.538 ( 0.000 -5.212 0.514) 5.237 6.572 ( 0.000 -5.535 -0.330) 5.545 6.607 ( 0.000 -4.303 -0.753) 4.368 7.273 ( 0.000 5.875 -0.401) 5.889 7.279 ( 0.000 7.623 -0.464) 7.637 7.330 ( 0.000 7.879 -1.127) 7.959 7.346 ( 0.000 7.559 -3.151) 8.189 7.637 ( 0.000 -3.105 -0.319) 3.122 7.647 ( 0.000 -3.569 -0.809) 3.659 7.662 ( 0.000 -4.196 1.152) 4.351 7.689 ( 0.000 -4.390 0.257) 4.398 8.296 ( 0.000 -4.986 0.792) 5.048 8.383 ( 0.000 -7.008 -0.703) 7.044 8.414 ( 0.000 -5.244 0.779) 5.302 8.495 ( 0.000 -6.975 -0.535) 6.996 12.147 ( 0.000 -1.674 0.083) 1.676 12.163 ( 0.000 -1.702 -0.352) 1.738 12.175 ( 0.000 -1.921 0.115) 1.924 12.182 ( 0.000 -2.066 0.258) 2.082 15.810 ( 0.000 2.964 -0.782) 3.066 15.879 ( 0.000 6.477 -0.957) 6.548 15.902 ( 0.000 5.403 -0.096) 5.404 16.021 ( 0.000 -0.871 -5.199) 5.271 16.103 ( 0.000 1.448 -5.316) 5.510 16.218 ( 0.000 -3.724 -2.114) 4.283 16.301 ( 0.000 -3.308 -2.744) 4.298 16.325 ( 0.000 0.015 -4.508) 4.508 16.551 ( 0.000 -2.850 1.716) 3.327 16.625 ( 0.000 -3.069 1.357) 3.356 16.690 ( 0.000 -7.290 6.602) 9.835 16.779 ( 0.000 -9.134 10.704) 14.071 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 4.275 8.909 5.463) 11.291 0.740 ( 5.118 9.619 1.713) 11.030 0.803 ( -2.708 4.540 0.848) 5.353 0.863 ( 0.200 7.276 -0.639) 7.307 0.954 ( -1.066 4.622 0.619) 4.784 1.003 ( -1.381 5.575 -0.899) 5.814 1.022 ( 0.693 4.379 -1.501) 4.681 1.047 ( -0.732 6.325 0.597) 6.396 1.167 ( 0.434 1.967 0.436) 2.061 1.215 ( -1.399 0.379 0.020) 1.449 1.299 ( 2.104 -0.659 2.287) 3.177 1.369 ( -0.231 -2.061 1.525) 2.574 1.419 ( -0.520 0.250 1.232) 1.361 1.501 ( 0.001 4.351 3.361) 5.498 1.584 ( 1.825 9.589 2.661) 10.117 1.649 ( -4.689 4.952 -4.175) 7.997 1.834 ( 0.193 6.405 1.470) 6.574 1.924 ( -0.588 0.474 -2.903) 3.000 1.999 ( -0.702 14.066 -0.676) 14.100 2.089 ( -4.251 19.764 -2.701) 20.396 2.240 ( -3.691 -0.350 -4.336) 5.704 2.307 ( -0.730 1.157 1.448) 1.992 2.355 ( 3.341 -0.821 -4.189) 5.421 2.508 ( -0.320 2.164 -0.856) 2.349 2.585 ( 0.779 3.424 -0.513) 3.549 2.624 ( 0.709 5.715 -0.693) 5.800 2.729 ( -0.271 0.102 1.681) 1.705 2.792 ( -4.410 -2.715 0.710) 5.227 2.943 ( 2.630 -0.848 -1.294) 3.051 3.049 ( 1.005 1.736 -1.641) 2.592 3.072 ( 2.476 -0.075 -1.384) 2.837 3.114 ( 4.639 2.427 -0.868) 5.307 3.158 ( -2.935 -1.776 -0.097) 3.432 3.245 ( 0.466 -0.292 -0.542) 0.772 3.402 ( -7.780 -1.489 5.721) 9.771 3.543 ( -6.224 -3.980 1.380) 7.516 3.944 ( 9.715 1.621 0.292) 9.854 4.080 ( 1.200 -0.030 -0.095) 1.204 4.242 ( 0.478 6.402 1.332) 6.557 4.288 ( -1.086 12.901 1.306) 13.013 4.364 ( -0.016 10.899 -2.540) 11.191 4.409 ( 1.070 -1.229 -0.488) 1.701 4.445 ( -0.048 8.126 0.437) 8.138 4.557 ( -0.158 2.521 -1.861) 3.138 4.611 ( 1.546 1.463 0.073) 2.130 4.746 ( -1.841 1.987 -2.660) 3.796 4.846 ( 1.296 -4.371 1.234) 4.723 4.874 ( -0.112 -4.265 0.412) 4.286 5.985 ( -0.022 9.119 0.887) 9.162 5.994 ( -0.324 9.707 1.384) 9.810 6.089 ( 0.907 6.710 -0.655) 6.802 6.140 ( -1.173 6.263 -0.129) 6.374 6.515 ( -0.294 -3.832 0.499) 3.876 6.549 ( 0.253 -4.876 -0.086) 4.883 6.558 ( -0.894 -5.454 -0.048) 5.527 6.595 ( -1.063 -4.544 -0.590) 4.703 7.275 ( 0.477 6.692 -0.403) 6.721 7.293 ( 0.887 7.411 -0.986) 7.529 7.320 ( -0.737 7.573 -0.876) 7.659 7.340 ( -0.574 7.966 -2.348) 8.324 7.631 ( -0.224 -3.223 -0.042) 3.231 7.644 ( -0.511 -3.384 0.363) 3.442 7.676 ( 1.278 -4.134 -0.232) 4.333 7.702 ( 0.593 -5.028 0.088) 5.064 8.314 ( 1.681 -4.979 0.902) 5.332 8.395 ( -1.370 -5.069 0.678) 5.294 8.416 ( 2.324 -7.747 -0.906) 8.139 8.489 ( -0.721 -7.304 -0.764) 7.379 12.149 ( 0.246 -1.684 0.045) 1.702 12.160 ( -0.196 -1.699 -0.213) 1.724 12.177 ( 0.130 -1.968 0.005) 1.972 12.182 ( -0.078 -2.049 0.167) 2.057 15.818 ( 0.768 3.245 -0.659) 3.399 15.864 ( -1.154 5.283 -0.509) 5.431 15.916 ( 1.132 6.313 -0.994) 6.491 16.003 ( -2.569 3.884 -6.182) 7.740 16.100 ( 1.947 -1.519 0.060) 2.470 16.255 ( -1.503 -3.541 -3.571) 5.249 16.262 ( 0.753 -2.927 -2.935) 4.213 16.329 ( -0.204 -1.168 -5.131) 5.266 16.557 ( 0.604 -3.212 1.527) 3.607 16.606 ( -1.478 -3.234 1.389) 3.817 16.710 ( 1.612 -7.495 6.486) 10.042 16.769 ( -0.970 -8.893 9.410) 12.984 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -5.809 6.262 2.072) 8.789 0.715 ( 5.809 6.262 2.072) 8.789 0.835 ( -3.536 7.611 -0.812) 8.431 0.835 ( 3.536 7.611 -0.812) 8.431 0.955 ( -1.663 5.535 0.341) 5.789 0.955 ( 1.663 5.535 0.341) 5.789 1.042 ( -0.556 4.810 0.693) 4.891 1.042 ( 0.556 4.810 0.693) 4.891 1.185 ( -1.395 1.733 -0.714) 2.336 1.185 ( 1.395 1.733 -0.714) 2.336 1.345 ( -2.116 -1.659 1.727) 3.196 1.345 ( 2.116 -1.659 1.727) 3.196 1.448 ( -3.587 2.205 1.808) 4.582 1.448 ( 3.587 2.205 1.808) 4.582 1.603 ( -0.327 6.331 0.087) 6.340 1.603 ( 0.327 6.331 0.087) 6.340 1.888 ( -3.562 4.509 1.252) 5.881 1.888 ( 3.562 4.509 1.252) 5.881 1.986 ( -2.581 18.239 -2.105) 18.541 1.986 ( 2.581 18.239 -2.105) 18.541 2.263 ( -3.409 2.091 -2.278) 4.602 2.263 ( 3.409 2.091 -2.278) 4.602 2.459 ( -4.301 2.388 -0.377) 4.934 2.459 ( 4.301 2.388 -0.377) 4.934 2.625 ( -2.411 2.696 -2.275) 4.273 2.625 ( 2.411 2.696 -2.275) 4.273 2.720 ( -1.183 -1.849 3.236) 3.910 2.720 ( 1.183 -1.849 3.236) 3.910 3.008 ( -3.919 0.642 -1.858) 4.384 3.008 ( 3.919 0.642 -1.858) 4.384 3.110 ( -1.676 0.908 0.933) 2.122 3.110 ( 1.676 0.908 0.933) 2.122 3.205 ( -3.416 -0.353 -0.921) 3.556 3.205 ( 3.416 -0.353 -0.921) 3.556 3.408 ( -5.917 -4.065 1.296) 7.295 3.408 ( 5.917 -4.065 1.296) 7.295 4.072 ( -3.015 1.201 -1.306) 3.498 4.072 ( 3.015 1.201 -1.306) 3.498 4.261 ( -1.363 10.465 1.328) 10.636 4.261 ( 1.363 10.465 1.328) 10.636 4.377 ( -1.597 9.888 -1.663) 10.154 4.377 ( 1.597 9.888 -1.663) 10.154 4.511 ( -3.882 -1.071 1.083) 4.170 4.511 ( 3.882 -1.071 1.083) 4.170 4.679 ( -4.304 3.460 -1.451) 5.709 4.679 ( 4.304 3.460 -1.451) 5.709 4.869 ( -0.868 -5.470 0.494) 5.560 4.869 ( 0.868 -5.470 0.494) 5.560 5.987 ( -0.247 9.385 1.128) 9.456 5.987 ( 0.247 9.385 1.128) 9.456 6.113 ( -1.406 6.533 -0.450) 6.698 6.113 ( 1.406 6.533 -0.450) 6.698 6.526 ( -1.250 -4.591 0.020) 4.758 6.526 ( 1.250 -4.591 0.020) 4.758 6.571 ( -1.179 -4.961 -0.247) 5.105 6.571 ( 1.179 -4.961 -0.247) 5.105 7.291 ( -0.960 7.370 -0.861) 7.482 7.291 ( 0.960 7.370 -0.861) 7.482 7.324 ( -0.940 7.728 -1.246) 7.884 7.324 ( 0.940 7.728 -1.246) 7.884 7.633 ( -0.423 -3.280 0.353) 3.326 7.633 ( 0.423 -3.280 0.353) 3.326 7.700 ( -0.797 -4.742 -0.252) 4.815 7.700 ( 0.797 -4.742 -0.252) 4.815 8.355 ( -2.277 -4.976 0.951) 5.554 8.355 ( 2.277 -4.976 0.951) 5.554 8.463 ( -1.926 -7.898 -1.143) 8.210 8.463 ( 1.926 -7.898 -1.143) 8.210 12.155 ( -0.314 -1.699 -0.055) 1.729 12.155 ( 0.314 -1.699 -0.055) 1.729 12.179 ( -0.135 -2.012 0.014) 2.017 12.179 ( 0.135 -2.012 0.014) 2.017 15.839 ( -1.247 4.082 -0.436) 4.290 15.839 ( 1.247 4.082 -0.436) 4.290 15.949 ( -2.270 6.388 -2.838) 7.349 15.949 ( 2.270 6.388 -2.838) 7.349 16.172 ( -4.467 -2.539 -0.382) 5.153 16.172 ( 4.467 -2.539 -0.382) 5.153 16.309 ( -1.825 -2.690 -5.547) 6.429 16.309 ( 1.825 -2.690 -5.547) 6.429 16.576 ( -1.319 -3.359 1.326) 3.844 16.576 ( 1.319 -3.359 1.326) 3.844 16.743 ( -1.553 -8.257 7.402) 11.197 16.743 ( 1.553 -8.257 7.402) 11.197 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 9.869 3.247) 10.390 0.875 ( 0.000 6.740 0.591) 6.766 0.915 ( 0.000 4.013 1.716) 4.364 0.982 ( 0.000 5.606 -1.154) 5.724 1.043 ( 0.000 1.067 -0.193) 1.084 1.077 ( 0.000 3.783 -1.650) 4.127 1.083 ( 0.000 2.808 -1.790) 3.331 1.158 ( 0.000 -1.528 -0.138) 1.535 1.193 ( 0.000 4.624 1.332) 4.812 1.218 ( 0.000 0.215 1.091) 1.112 1.275 ( 0.000 -1.663 1.247) 2.078 1.319 ( 0.000 -2.427 2.973) 3.838 1.447 ( 0.000 3.496 1.632) 3.859 1.552 ( 0.000 2.114 -1.227) 2.445 1.686 ( 0.000 0.500 -0.722) 0.878 1.749 ( 0.000 -6.301 -3.558) 7.237 1.860 ( 0.000 8.711 -4.168) 9.656 2.049 ( 0.000 5.588 -2.377) 6.072 2.137 ( 0.000 3.862 -0.961) 3.980 2.191 ( 0.000 -6.500 -11.724) 13.406 2.245 ( 0.000 3.503 6.836) 7.681 2.392 ( 0.000 10.728 9.886) 14.588 2.460 ( 0.000 -5.950 0.002) 5.950 2.571 ( 0.000 7.544 -5.664) 9.433 2.598 ( 0.000 0.691 1.029) 1.239 2.732 ( 0.000 2.962 1.101) 3.160 2.739 ( 0.000 1.544 2.167) 2.661 2.803 ( 0.000 -4.490 -0.162) 4.493 2.878 ( 0.000 -0.064 1.024) 1.026 2.956 ( 0.000 -2.866 3.594) 4.596 3.079 ( 0.000 1.405 -2.921) 3.241 3.091 ( 0.000 0.368 -5.002) 5.015 3.235 ( 0.000 2.306 0.908) 2.478 3.236 ( 0.000 1.404 0.936) 1.688 3.553 ( 0.000 -0.885 3.120) 3.243 3.557 ( 0.000 -1.840 1.706) 2.509 3.883 ( 0.000 7.945 -1.588) 8.102 4.059 ( 0.000 -0.082 -0.735) 0.739 4.198 ( 0.000 -3.393 2.890) 4.457 4.267 ( 0.000 -6.930 -0.001) 6.930 4.529 ( 0.000 4.240 0.284) 4.249 4.567 ( 0.000 9.179 -0.368) 9.187 4.598 ( 0.000 6.810 -0.524) 6.830 4.675 ( 0.000 7.600 -1.559) 7.758 4.721 ( 0.000 -0.903 0.074) 0.906 4.725 ( 0.000 5.767 -0.894) 5.835 4.828 ( 0.000 -0.313 -0.714) 0.780 4.869 ( 0.000 3.551 -1.818) 3.989 6.146 ( 0.000 7.115 0.449) 7.129 6.171 ( 0.000 7.676 1.022) 7.744 6.197 ( 0.000 4.846 -0.382) 4.861 6.255 ( 0.000 3.954 0.264) 3.962 6.445 ( 0.000 -4.093 0.458) 4.118 6.454 ( 0.000 -3.947 0.552) 3.986 6.476 ( 0.000 -3.879 -0.200) 3.885 6.521 ( 0.000 -4.425 -0.552) 4.459 7.379 ( 0.000 4.704 -0.241) 4.711 7.398 ( 0.000 4.216 -0.602) 4.258 7.459 ( 0.000 4.828 -1.322) 5.006 7.464 ( 0.000 4.118 -2.369) 4.750 7.586 ( 0.000 -2.294 -0.124) 2.297 7.588 ( 0.000 -1.833 0.126) 1.837 7.595 ( 0.000 -2.347 0.306) 2.367 7.612 ( 0.000 -3.130 0.078) 3.131 8.209 ( 0.000 -3.493 0.323) 3.508 8.254 ( 0.000 -5.803 -0.461) 5.821 8.325 ( 0.000 -3.412 0.243) 3.420 8.368 ( 0.000 -5.592 -0.320) 5.601 12.120 ( 0.000 -0.901 0.093) 0.906 12.132 ( 0.000 -1.287 -0.263) 1.314 12.141 ( 0.000 -1.424 0.067) 1.425 12.144 ( 0.000 -1.687 0.228) 1.702 15.863 ( 0.000 2.457 -0.965) 2.640 15.961 ( 0.000 -2.450 -1.948) 3.130 15.996 ( 0.000 3.865 -0.855) 3.959 15.999 ( 0.000 4.277 -0.304) 4.288 16.130 ( 0.000 0.755 -5.763) 5.812 16.155 ( 0.000 -2.437 -3.002) 3.866 16.245 ( 0.000 -1.978 -1.316) 2.376 16.313 ( 0.000 -2.039 -3.755) 4.273 16.478 ( 0.000 -3.049 2.791) 4.133 16.556 ( 0.000 -4.189 1.823) 4.569 16.609 ( 0.000 -1.317 5.283) 5.444 16.655 ( 0.000 -3.942 6.282) 7.417 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 2.842 8.864 3.087) 9.807 0.897 ( 1.883 5.361 0.349) 5.692 0.898 ( -1.774 5.285 2.282) 6.024 0.983 ( -0.525 4.007 -1.305) 4.247 1.029 ( -0.302 3.276 0.022) 3.290 1.077 ( -0.748 2.298 -1.479) 2.833 1.097 ( 1.564 2.795 -1.505) 3.539 1.154 ( -0.503 -0.401 -0.221) 0.681 1.182 ( -0.590 4.011 1.515) 4.328 1.207 ( -0.962 -0.138 0.901) 1.325 1.285 ( 0.968 -1.484 1.240) 2.162 1.320 ( -0.122 -2.696 2.642) 3.777 1.450 ( 0.714 3.956 1.761) 4.389 1.559 ( -1.041 2.279 1.293) 2.820 1.655 ( -1.819 -1.871 -3.091) 4.045 1.706 ( -1.811 -0.336 -2.234) 2.896 1.904 ( 2.951 6.169 -3.560) 7.710 2.010 ( -2.492 5.601 -2.759) 6.722 2.188 ( 3.948 3.876 -1.674) 5.781 2.224 ( 2.463 -4.839 -9.374) 10.833 2.282 ( -0.082 0.119 1.157) 1.166 2.382 ( 1.664 7.905 8.529) 11.747 2.446 ( -6.154 8.299 -2.143) 10.551 2.499 ( 1.236 0.649 0.511) 1.486 2.624 ( 1.930 1.357 2.033) 3.114 2.695 ( -2.896 -0.215 -0.298) 2.919 2.729 ( -2.722 -1.514 3.891) 4.984 2.756 ( -1.574 1.143 0.770) 2.092 2.932 ( 3.605 0.136 1.622) 3.956 3.017 ( 4.301 -2.257 -0.280) 4.866 3.090 ( -0.612 0.784 -2.278) 2.486 3.110 ( 1.742 -0.622 -2.470) 3.086 3.207 ( -0.877 2.842 1.266) 3.233 3.249 ( 0.554 0.453 -0.616) 0.944 3.403 ( -9.500 1.060 3.050) 10.033 3.478 ( -6.914 -2.752 1.080) 7.519 4.009 ( 7.915 4.865 -1.311) 9.383 4.089 ( 2.334 0.935 -0.310) 2.534 4.224 ( 2.193 -3.618 1.085) 4.367 4.297 ( 1.422 -6.939 0.220) 7.086 4.506 ( -0.470 6.598 0.997) 6.689 4.569 ( -0.704 7.170 -0.852) 7.254 4.608 ( 1.081 7.694 -0.000) 7.770 4.689 ( -1.114 6.215 -2.075) 6.646 4.718 ( 1.717 6.631 -0.504) 6.868 4.738 ( 1.314 -0.314 -0.221) 1.369 4.808 ( -1.466 -0.943 -0.166) 1.751 4.849 ( -2.019 3.592 -1.586) 4.415 6.147 ( 0.165 7.204 0.483) 7.222 6.165 ( -0.539 7.586 0.865) 7.654 6.206 ( 0.782 4.815 -0.266) 4.886 6.246 ( -0.831 4.163 0.118) 4.247 6.436 ( -0.445 -3.869 0.532) 3.931 6.460 ( 0.450 -4.285 0.164) 4.312 6.462 ( -1.164 -3.964 -0.077) 4.132 6.506 ( -1.320 -4.524 -0.437) 4.732 7.391 ( 1.113 5.025 -0.357) 5.159 7.413 ( 1.290 4.336 -0.923) 4.617 7.448 ( -0.879 5.109 -1.119) 5.304 7.465 ( -0.356 4.449 -2.107) 4.936 7.579 ( -0.269 -1.785 0.247) 1.822 7.588 ( -0.498 -2.016 0.029) 2.077 7.602 ( 0.727 -3.243 0.099) 3.325 7.614 ( 0.143 -3.682 0.160) 3.689 8.227 ( 1.742 -3.418 0.379) 3.855 8.277 ( 2.066 -6.029 -0.558) 6.398 8.310 ( -1.519 -3.369 0.316) 3.709 8.357 ( -1.172 -5.803 -0.424) 5.935 12.122 ( 0.207 -0.932 0.065) 0.957 12.131 ( -0.118 -1.152 -0.166) 1.170 12.141 ( 0.016 -1.575 0.037) 1.575 12.144 ( -0.051 -1.669 0.121) 1.674 15.877 ( 1.384 2.839 -0.843) 3.269 15.956 ( -1.615 3.697 -1.051) 4.169 15.993 ( 1.467 -2.179 -1.291) 2.927 16.017 ( 0.617 3.425 -1.528) 3.801 16.117 ( -0.163 1.664 -3.391) 3.781 16.186 ( 1.811 -3.112 -4.460) 5.732 16.216 ( -2.213 -1.378 -0.854) 2.743 16.297 ( -1.691 -2.678 -4.128) 5.204 16.498 ( 1.757 -2.011 2.686) 3.788 16.551 ( -0.449 -2.686 1.786) 3.257 16.609 ( 0.028 -2.838 5.155) 5.884 16.639 ( -1.361 -4.522 6.252) 7.835 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -3.607 6.836 2.665) 8.176 0.840 ( 3.607 6.836 2.665) 8.176 0.946 ( -2.607 3.876 -0.141) 4.673 0.946 ( 2.607 3.876 -0.141) 4.673 1.049 ( -1.735 3.231 -0.817) 3.757 1.049 ( 1.735 3.231 -0.817) 3.757 1.131 ( -1.661 2.253 -0.788) 2.908 1.131 ( 1.661 2.253 -0.788) 2.908 1.187 ( -0.901 0.506 1.183) 1.571 1.187 ( 0.901 0.506 1.183) 1.571 1.308 ( -1.045 -2.207 1.594) 2.916 1.308 ( 1.045 -2.207 1.594) 2.916 1.491 ( -3.587 3.569 2.330) 5.571 1.491 ( 3.587 3.569 2.330) 5.571 1.671 ( -1.925 -0.684 -2.046) 2.891 1.671 ( 1.925 -0.684 -2.046) 2.891 1.961 ( -2.599 5.587 -4.307) 7.518 1.961 ( 2.599 5.587 -4.307) 7.518 2.251 ( -1.511 -0.066 -5.621) 5.821 2.251 ( 1.511 -0.066 -5.621) 5.821 2.287 ( -5.167 6.733 1.463) 8.613 2.287 ( 5.167 6.733 1.463) 8.613 2.504 ( -3.049 1.726 1.802) 3.940 2.504 ( 3.049 1.726 1.802) 3.940 2.643 ( -1.059 0.886 2.465) 2.825 2.643 ( 1.059 0.886 2.465) 2.825 2.717 ( -1.738 0.550 2.671) 3.234 2.717 ( 1.738 0.550 2.671) 3.234 3.019 ( -5.031 1.362 -0.641) 5.251 3.019 ( 5.031 1.362 -0.641) 5.251 3.098 ( -3.436 -1.298 -0.965) 3.798 3.098 ( 3.436 -1.298 -0.965) 3.798 3.235 ( -3.360 2.251 0.923) 4.149 3.235 ( 3.360 2.251 0.923) 4.149 3.342 ( -5.043 -2.987 0.745) 5.909 3.342 ( 5.043 -2.987 0.745) 5.909 4.108 ( -1.566 2.780 -0.688) 3.264 4.108 ( 1.566 2.780 -0.688) 3.264 4.277 ( -2.856 -4.861 -0.154) 5.640 4.277 ( 2.856 -4.861 -0.154) 5.640 4.536 ( -2.490 6.269 0.730) 6.785 4.536 ( 2.490 6.269 0.730) 6.785 4.642 ( -2.415 7.998 -0.797) 8.392 4.642 ( 2.415 7.998 -0.797) 8.392 4.761 ( -0.168 1.796 -1.180) 2.156 4.761 ( 0.168 1.796 -1.180) 2.156 4.799 ( -1.924 1.970 -0.336) 2.774 4.799 ( 1.924 1.970 -0.336) 2.774 6.154 ( -0.517 7.410 0.638) 7.455 6.154 ( 0.517 7.410 0.638) 7.455 6.225 ( -1.107 4.556 -0.115) 4.690 6.225 ( 1.107 4.556 -0.115) 4.690 6.439 ( -0.806 -3.916 0.233) 4.005 6.439 ( 0.806 -3.916 0.233) 4.005 6.478 ( -1.293 -4.571 -0.181) 4.754 6.478 ( 1.293 -4.571 -0.181) 4.754 7.419 ( -1.372 5.462 -0.832) 5.693 7.419 ( 1.372 5.462 -0.832) 5.693 7.447 ( -1.261 4.464 -1.399) 4.845 7.447 ( 1.261 4.464 -1.399) 4.845 7.579 ( -0.297 -2.000 0.286) 2.042 7.579 ( 0.297 -2.000 0.286) 2.042 7.613 ( -0.343 -3.845 0.045) 3.860 7.613 ( 0.343 -3.845 0.045) 3.860 8.270 ( -2.285 -3.338 0.403) 4.065 8.270 ( 2.285 -3.338 0.403) 4.065 8.322 ( -2.187 -6.121 -0.576) 6.525 8.322 ( 2.187 -6.121 -0.576) 6.525 12.127 ( -0.264 -1.008 -0.013) 1.042 12.127 ( 0.264 -1.008 -0.013) 1.042 12.142 ( -0.099 -1.670 0.008) 1.673 12.142 ( 0.099 -1.670 0.008) 1.673 15.915 ( -2.212 3.696 -0.561) 4.344 15.915 ( 2.212 3.696 -0.561) 4.344 16.018 ( -0.625 0.188 -2.565) 2.647 16.018 ( 0.625 0.188 -2.565) 2.647 16.145 ( -2.918 0.647 -1.017) 3.157 16.145 ( 2.918 0.647 -1.017) 3.157 16.248 ( -2.915 -3.458 -4.448) 6.344 16.248 ( 2.915 -3.458 -4.448) 6.344 16.534 ( -1.448 -0.788 2.054) 2.634 16.534 ( 1.448 -0.788 2.054) 2.634 16.615 ( -0.748 -5.050 5.734) 7.677 16.615 ( 0.748 -5.050 5.734) 7.677 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 -5.280 -0.128) 5.281 0.909 ( 0.000 5.280 -0.128) 5.281 0.966 ( 0.000 -2.532 1.530) 2.958 0.966 ( 0.000 2.532 1.530) 2.958 1.090 ( 0.000 -1.632 -1.965) 2.555 1.090 ( 0.000 1.632 -1.965) 2.555 1.147 ( 0.000 -1.539 -0.602) 1.652 1.147 ( 0.000 1.539 -0.602) 1.652 1.215 ( 0.000 -2.523 1.928) 3.175 1.215 ( 0.000 2.523 1.928) 3.175 1.275 ( 0.000 -2.753 2.443) 3.680 1.275 ( 0.000 2.753 2.443) 3.680 1.543 ( 0.000 -4.397 -1.710) 4.718 1.543 ( 0.000 4.397 -1.710) 4.718 1.665 ( 0.000 -1.467 -0.036) 1.467 1.665 ( 0.000 1.467 -0.036) 1.467 2.040 ( 0.000 -9.072 -9.385) 13.053 2.040 ( 0.000 9.072 -9.385) 13.053 2.140 ( 0.000 -3.079 -2.344) 3.870 2.140 ( 0.000 3.079 -2.344) 3.870 2.330 ( 0.000 -6.137 4.802) 7.793 2.330 ( 0.000 6.137 4.802) 7.793 2.559 ( 0.000 -5.696 6.955) 8.990 2.559 ( 0.000 5.696 6.955) 8.990 2.683 ( 0.000 -4.172 -1.787) 4.539 2.683 ( 0.000 4.172 -1.787) 4.539 2.782 ( 0.000 -1.414 -0.302) 1.446 2.782 ( 0.000 1.414 -0.302) 1.446 2.893 ( 0.000 -2.420 4.158) 4.811 2.893 ( 0.000 2.420 4.158) 4.811 3.096 ( 0.000 -0.213 -4.535) 4.540 3.096 ( 0.000 0.213 -4.535) 4.540 3.254 ( 0.000 -0.234 0.915) 0.945 3.254 ( 0.000 0.234 0.915) 0.945 3.543 ( 0.000 -0.164 1.417) 1.426 3.543 ( 0.000 0.164 1.417) 1.426 4.025 ( 0.000 -5.229 -3.612) 6.355 4.025 ( 0.000 5.229 -3.612) 6.355 4.165 ( 0.000 -1.474 3.462) 3.763 4.165 ( 0.000 1.474 3.462) 3.763 4.590 ( 0.000 -2.658 0.402) 2.688 4.590 ( 0.000 2.658 0.402) 2.688 4.699 ( 0.000 -3.747 -0.360) 3.764 4.699 ( 0.000 3.747 -0.360) 3.764 4.768 ( 0.000 -0.943 -0.575) 1.105 4.768 ( 0.000 0.943 -0.575) 1.105 4.889 ( 0.000 -2.373 -2.134) 3.191 4.889 ( 0.000 2.373 -2.134) 3.191 6.236 ( 0.000 -1.533 -0.128) 1.538 6.236 ( 0.000 1.533 -0.128) 1.538 6.274 ( 0.000 -2.502 0.526) 2.556 6.274 ( 0.000 2.502 0.526) 2.556 6.403 ( 0.000 -0.368 0.532) 0.646 6.403 ( 0.000 0.368 0.532) 0.646 6.454 ( 0.000 -1.852 -0.244) 1.868 6.454 ( 0.000 1.852 -0.244) 1.868 7.433 ( 0.000 -0.553 -0.440) 0.707 7.433 ( 0.000 0.553 -0.440) 0.707 7.499 ( 0.000 -0.121 -1.416) 1.422 7.499 ( 0.000 0.121 -1.416) 1.422 7.565 ( 0.000 -0.000 0.896) 0.896 7.565 ( 0.000 0.000 0.896) 0.896 7.585 ( 0.000 -0.203 -0.761) 0.788 7.585 ( 0.000 0.203 -0.761) 0.788 8.183 ( 0.000 -1.187 -0.151) 1.197 8.183 ( 0.000 1.187 -0.151) 1.197 8.301 ( 0.000 -1.133 -0.079) 1.136 8.301 ( 0.000 1.133 -0.079) 1.136 12.116 ( 0.000 -0.419 -0.003) 0.419 12.116 ( 0.000 0.419 -0.003) 0.419 12.127 ( 0.000 -0.029 0.070) 0.076 12.127 ( 0.000 0.029 0.070) 0.076 15.908 ( 0.000 -2.463 -1.054) 2.679 15.908 ( 0.000 2.463 -1.054) 2.679 16.045 ( 0.000 -0.130 -1.344) 1.351 16.045 ( 0.000 0.130 -1.344) 1.351 16.133 ( 0.000 -0.040 -3.967) 3.967 16.133 ( 0.000 0.040 -3.967) 3.967 16.251 ( 0.000 -2.807 -1.197) 3.051 16.251 ( 0.000 2.807 -1.197) 3.051 16.482 ( 0.000 -2.811 2.353) 3.666 16.482 ( 0.000 2.811 2.353) 3.666 16.610 ( 0.000 -1.138 4.232) 4.382 16.610 ( 0.000 1.138 4.232) 4.382 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.428 -4.928 0.220) 5.136 0.925 ( 1.428 4.928 0.220) 5.136 0.966 ( -0.068 -2.530 1.392) 2.889 0.966 ( -0.068 2.530 1.392) 2.889 1.089 ( -0.125 -1.391 -1.423) 1.994 1.089 ( -0.125 1.391 -1.423) 1.994 1.124 ( -1.871 -2.803 -0.408) 3.395 1.124 ( -1.871 2.803 -0.408) 3.395 1.228 ( 1.107 -3.513 1.813) 4.105 1.228 ( 1.107 3.513 1.813) 4.105 1.271 ( -0.477 -2.796 2.451) 3.749 1.271 ( -0.477 2.796 2.451) 3.749 1.557 ( 1.265 -5.438 -0.762) 5.635 1.557 ( 1.265 5.438 -0.762) 5.635 1.638 ( -2.273 -3.831 0.136) 4.456 1.638 ( -2.273 3.831 0.136) 4.456 2.072 ( 2.488 -9.235 -8.942) 13.093 2.072 ( 2.488 9.235 -8.942) 13.093 2.131 ( -0.682 -6.374 -4.756) 7.982 2.131 ( -0.682 6.374 -4.756) 7.982 2.363 ( 3.124 -5.826 4.655) 8.085 2.363 ( 3.124 5.826 4.655) 8.085 2.549 ( -3.308 -5.320 6.024) 8.691 2.549 ( -3.308 5.320 6.024) 8.691 2.649 ( 0.083 -2.231 -1.684) 2.797 2.649 ( 0.083 2.231 -1.684) 2.797 2.750 ( -2.193 -1.878 2.667) 3.931 2.750 ( -2.193 1.878 2.667) 3.931 2.964 ( 4.975 -2.983 1.901) 6.104 2.964 ( 4.975 2.983 1.901) 6.104 3.104 ( 0.242 -0.457 -3.017) 3.061 3.104 ( 0.242 0.457 -3.017) 3.061 3.243 ( -0.493 -1.162 0.364) 1.314 3.243 ( -0.493 1.162 0.364) 1.314 3.434 ( -8.562 -2.019 1.262) 8.886 3.434 ( -8.562 2.019 1.262) 8.886 4.097 ( 5.250 -2.060 -2.264) 6.077 4.097 ( 5.250 2.060 -2.264) 6.077 4.187 ( 1.324 -2.158 1.988) 3.220 4.187 ( 1.324 2.158 1.988) 3.220 4.596 ( 0.901 -3.447 0.515) 3.600 4.596 ( 0.901 3.447 0.515) 3.600 4.681 ( -1.784 -3.524 -0.137) 3.952 4.681 ( -1.784 3.524 -0.137) 3.952 4.789 ( 1.843 -1.083 -0.840) 2.296 4.789 ( 1.843 1.083 -0.840) 2.296 4.871 ( -1.591 -2.497 -1.897) 3.517 4.871 ( -1.591 2.497 -1.897) 3.517 6.240 ( 0.448 -1.807 -0.079) 1.864 6.240 ( 0.448 1.807 -0.079) 1.864 6.268 ( -0.593 -2.437 0.404) 2.541 6.268 ( -0.593 2.437 0.404) 2.541 6.401 ( -0.001 -1.019 0.399) 1.094 6.401 ( -0.001 1.019 0.399) 1.094 6.438 ( -1.371 -1.847 -0.144) 2.305 6.438 ( -1.371 1.847 -0.144) 2.305 7.448 ( 1.447 -0.645 -0.626) 1.704 7.448 ( 1.447 0.645 -0.626) 1.704 7.500 ( -0.156 -0.482 -1.392) 1.481 7.500 ( -0.156 0.482 -1.392) 1.481 7.566 ( 0.023 -0.376 0.701) 0.796 7.566 ( 0.023 0.376 0.701) 0.796 7.575 ( -0.706 -0.428 -0.341) 0.893 7.575 ( -0.706 0.428 -0.341) 0.893 8.203 ( 1.871 -1.292 -0.145) 2.278 8.203 ( 1.871 1.292 -0.145) 2.278 8.286 ( -1.422 -1.235 -0.090) 1.886 8.286 ( -1.422 1.235 -0.090) 1.886 12.117 ( 0.158 -0.387 -0.005) 0.418 12.117 ( 0.158 0.387 -0.005) 0.418 12.125 ( -0.143 -0.165 0.045) 0.223 12.125 ( -0.143 0.165 0.045) 0.223 15.930 ( 2.017 -2.775 -1.093) 3.601 15.930 ( 2.017 2.775 -1.093) 3.601 16.029 ( -1.763 -2.081 -0.830) 2.850 16.029 ( -1.763 2.081 -0.830) 2.850 16.142 ( 1.320 -1.498 -4.169) 4.623 16.142 ( 1.320 1.498 -4.169) 4.623 16.234 ( -1.760 -2.985 -1.801) 3.905 16.234 ( -1.760 2.985 -1.801) 3.905 16.501 ( 1.811 -1.976 2.851) 3.913 16.501 ( 1.811 1.976 2.851) 3.913 16.592 ( -1.744 -0.742 4.083) 4.501 16.592 ( -1.744 0.742 4.083) 4.501 ======================= Grid point 69 (30/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.175 -3.769 0.877) 4.044 0.955 ( 1.145 -3.767 0.877) 4.033 0.955 ( -1.145 3.767 0.877) 4.033 0.955 ( 1.175 3.769 0.877) 4.044 1.093 ( -0.648 -2.410 -0.564) 2.559 1.093 ( 0.503 -2.402 -0.564) 2.518 1.093 ( -0.503 2.402 -0.564) 2.518 1.093 ( 0.648 2.410 -0.564) 2.559 1.253 ( -1.162 -3.611 2.134) 4.353 1.253 ( 1.065 -3.604 2.134) 4.322 1.253 ( -1.065 3.604 2.134) 4.322 1.253 ( 1.162 3.611 2.134) 4.353 1.591 ( -2.102 -6.021 0.276) 6.384 1.591 ( 2.047 -6.017 0.276) 6.361 1.591 ( -2.047 6.017 0.276) 6.361 1.591 ( 2.102 6.021 0.276) 6.384 2.113 ( -1.319 -9.010 -7.675) 11.909 2.113 ( 1.303 -9.009 -7.675) 11.907 2.113 ( -1.303 9.009 -7.675) 11.907 2.113 ( 1.319 9.010 -7.675) 11.909 2.447 ( -5.136 -6.522 3.431) 8.982 2.447 ( 4.936 -6.483 3.431) 8.841 2.447 ( -4.936 6.483 3.431) 8.841 2.447 ( 5.136 6.522 3.431) 8.982 2.697 ( -2.491 -2.682 2.571) 4.473 2.697 ( 0.020 -2.375 2.571) 3.500 2.697 ( -0.020 2.375 2.571) 3.500 2.697 ( 2.491 2.682 2.571) 4.473 3.063 ( -4.396 -2.476 -0.399) 5.061 3.063 ( 2.901 -1.845 -0.399) 3.461 3.063 ( -2.901 1.845 -0.399) 3.461 3.063 ( 4.396 2.476 -0.399) 5.061 3.284 ( -4.881 -2.792 0.671) 5.663 3.284 ( -0.891 -1.428 0.671) 1.812 3.284 ( 0.891 1.428 0.671) 1.812 3.284 ( 4.881 2.792 0.671) 5.663 4.180 ( -1.293 -4.534 -0.303) 4.724 4.180 ( 0.192 -4.489 -0.303) 4.503 4.180 ( -0.192 4.489 -0.303) 4.503 4.180 ( 1.293 4.534 -0.303) 4.724 4.633 ( -2.396 -4.278 0.354) 4.916 4.633 ( 1.893 -4.215 0.354) 4.634 4.633 ( -1.893 4.215 0.354) 4.634 4.633 ( 2.396 4.278 0.354) 4.916 4.832 ( -2.163 -2.134 -1.387) 3.340 4.832 ( 1.640 -2.014 -1.387) 2.945 4.832 ( -1.640 2.014 -1.387) 2.945 4.832 ( 2.163 2.134 -1.387) 3.340 6.253 ( -0.736 -2.342 0.122) 2.458 6.253 ( 0.712 -2.340 0.122) 2.449 6.253 ( -0.712 2.340 0.122) 2.449 6.253 ( 0.736 2.342 0.122) 2.458 6.411 ( -1.079 -1.656 0.116) 1.980 6.411 ( 1.079 -1.656 0.116) 1.980 6.411 ( -1.079 1.656 0.116) 1.980 6.411 ( 1.079 1.656 0.116) 1.980 7.482 ( -1.531 -0.825 -1.110) 2.063 7.482 ( -0.333 -0.351 -1.110) 1.211 7.482 ( 0.333 0.351 -1.110) 1.211 7.482 ( 1.531 0.825 -1.110) 2.063 7.567 ( -0.169 -0.850 0.312) 0.921 7.567 ( 0.169 -0.850 0.312) 0.921 7.567 ( -0.169 0.850 0.312) 0.921 7.567 ( 0.169 0.850 0.312) 0.921 8.248 ( -2.291 -1.361 -0.118) 2.668 8.248 ( 2.253 -1.345 -0.118) 2.626 8.248 ( -2.253 1.345 -0.118) 2.626 8.248 ( 2.291 1.361 -0.118) 2.668 12.121 ( -0.174 -0.414 0.005) 0.450 12.121 ( 0.117 -0.409 0.005) 0.426 12.121 ( -0.117 0.409 0.005) 0.426 12.121 ( 0.174 0.414 0.005) 0.450 15.980 ( -2.735 -3.093 -0.986) 4.245 15.980 ( 2.435 -3.030 -0.986) 4.010 15.980 ( -2.435 3.030 -0.986) 4.010 15.980 ( 2.735 3.093 -0.986) 4.245 16.186 ( -2.623 -2.854 -3.099) 4.963 16.186 ( 1.978 -2.721 -3.099) 4.575 16.186 ( -1.978 2.721 -3.099) 4.575 16.186 ( 2.623 2.854 -3.099) 4.963 16.547 ( -1.713 -1.868 3.615) 4.414 16.547 ( -0.837 -1.712 3.615) 4.086 16.547 ( 0.837 1.712 3.615) 4.086 16.547 ( 1.713 1.868 3.615) 4.414 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 0.000 9.803) 9.803 0.688 ( 0.000 0.000 2.950) 2.950 0.690 ( 0.000 0.000 -1.883) 1.883 0.757 ( 0.000 0.000 13.439) 13.439 0.788 ( 0.000 0.000 -4.863) 4.863 0.792 ( 0.000 0.000 -2.317) 2.317 0.836 ( 0.000 0.000 -4.296) 4.296 0.944 ( 0.000 0.000 13.796) 13.796 1.033 ( 0.000 0.000 12.199) 12.199 1.229 ( 0.000 0.000 1.635) 1.635 1.308 ( 0.000 0.000 18.571) 18.571 1.351 ( 0.000 0.000 1.609) 1.609 1.367 ( 0.000 0.000 18.100) 18.100 1.394 ( 0.000 0.000 2.802) 2.802 1.427 ( 0.000 0.000 1.600) 1.600 1.430 ( 0.000 0.000 -9.646) 9.646 1.548 ( 0.000 0.000 2.413) 2.413 1.568 ( 0.000 0.000 -4.861) 4.861 1.869 ( 0.000 0.000 1.166) 1.166 2.015 ( 0.000 0.000 -14.168) 14.168 2.059 ( 0.000 0.000 -14.372) 14.372 2.117 ( 0.000 0.000 -7.131) 7.131 2.235 ( 0.000 0.000 2.679) 2.679 2.323 ( 0.000 0.000 -2.604) 2.604 2.376 ( 0.000 0.000 -5.048) 5.048 2.507 ( 0.000 0.000 -15.074) 15.074 2.667 ( 0.000 0.000 9.541) 9.541 2.789 ( 0.000 0.000 2.910) 2.910 2.904 ( 0.000 0.000 2.217) 2.217 2.904 ( 0.000 0.000 -2.909) 2.909 2.989 ( 0.000 0.000 -1.732) 1.732 3.005 ( 0.000 0.000 -6.183) 6.183 3.234 ( 0.000 0.000 1.452) 1.452 3.298 ( 0.000 0.000 -2.132) 2.132 3.805 ( 0.000 0.000 4.940) 4.940 3.863 ( 0.000 0.000 1.962) 1.962 3.876 ( 0.000 0.000 1.418) 1.418 3.948 ( 0.000 0.000 7.326) 7.326 3.978 ( 0.000 0.000 -3.449) 3.449 4.095 ( 0.000 0.000 -0.156) 0.156 4.118 ( 0.000 0.000 1.350) 1.350 4.142 ( 0.000 0.000 -0.017) 0.017 4.431 ( 0.000 0.000 1.289) 1.289 4.483 ( 0.000 0.000 -1.690) 1.690 4.724 ( 0.000 0.000 -0.732) 0.732 4.745 ( 0.000 0.000 -2.650) 2.650 4.947 ( 0.000 0.000 1.217) 1.217 4.978 ( 0.000 0.000 -0.101) 0.101 5.787 ( 0.000 0.000 3.189) 3.189 5.794 ( 0.000 0.000 1.999) 1.999 5.881 ( 0.000 0.000 -2.133) 2.133 5.930 ( 0.000 0.000 -3.204) 3.204 6.612 ( 0.000 0.000 1.053) 1.053 6.656 ( 0.000 0.000 -1.048) 1.048 6.696 ( 0.000 0.000 -0.368) 0.368 6.704 ( 0.000 0.000 -0.570) 0.570 7.079 ( 0.000 0.000 1.064) 1.064 7.089 ( 0.000 0.000 0.421) 0.421 7.111 ( 0.000 0.000 -0.477) 0.477 7.125 ( 0.000 0.000 -0.948) 0.948 7.711 ( 0.000 0.000 -0.663) 0.663 7.715 ( 0.000 0.000 -0.286) 0.286 7.798 ( 0.000 0.000 0.203) 0.203 7.816 ( 0.000 0.000 -0.814) 0.814 8.454 ( 0.000 0.000 1.895) 1.895 8.519 ( 0.000 0.000 -1.465) 1.465 8.581 ( 0.000 0.000 0.771) 0.771 8.636 ( 0.000 0.000 -1.487) 1.487 12.192 ( 0.000 0.000 0.178) 0.178 12.198 ( 0.000 0.000 -0.165) 0.165 12.225 ( 0.000 0.000 0.193) 0.193 12.232 ( 0.000 0.000 -0.084) 0.084 15.695 ( 0.000 0.000 0.224) 0.224 15.721 ( 0.000 0.000 -0.863) 0.863 15.739 ( 0.000 0.000 0.797) 0.797 15.765 ( 0.000 0.000 -0.475) 0.475 16.163 ( 0.000 0.000 1.319) 1.319 16.233 ( 0.000 0.000 -2.988) 2.988 16.283 ( 0.000 0.000 -2.007) 2.007 16.293 ( 0.000 0.000 -3.364) 3.364 16.665 ( 0.000 0.000 2.905) 2.905 16.733 ( 0.000 0.000 0.265) 0.265 17.014 ( 0.000 0.000 5.840) 5.840 17.195 ( 0.000 0.000 -3.248) 3.248 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 1.710 0.000 8.280) 8.455 0.617 ( -6.744 0.000 15.656) 17.047 0.670 ( -5.291 0.000 -1.114) 5.407 0.676 ( -1.408 0.000 3.562) 3.830 0.797 ( 0.769 0.000 -2.463) 2.580 0.823 ( 4.577 0.000 -6.715) 8.126 0.831 ( -0.446 0.000 -4.146) 4.170 1.007 ( 5.883 0.000 10.650) 12.166 1.049 ( -1.317 0.000 1.907) 2.318 1.241 ( 1.098 0.000 0.932) 1.440 1.291 ( -3.151 0.000 11.598) 12.019 1.314 ( -2.515 0.000 0.054) 2.515 1.356 ( -1.058 0.000 14.778) 14.816 1.382 ( -2.733 0.000 4.374) 5.157 1.434 ( 1.720 0.000 1.295) 2.153 1.457 ( 2.200 0.000 5.183) 5.630 1.546 ( 0.619 0.000 -1.378) 1.511 1.563 ( -1.289 0.000 -0.704) 1.469 1.847 ( 0.086 0.000 4.265) 4.266 2.021 ( 0.592 0.000 -14.089) 14.101 2.040 ( -6.506 0.000 -4.282) 7.788 2.052 ( -0.620 0.000 -14.138) 14.152 2.277 ( 3.504 0.000 0.045) 3.504 2.305 ( 1.992 0.000 0.029) 1.992 2.372 ( -0.605 0.000 -4.713) 4.752 2.584 ( -0.617 0.000 0.404) 0.738 2.715 ( 9.938 0.000 -3.037) 10.392 2.788 ( 0.085 0.000 2.852) 2.854 2.849 ( -2.813 0.000 0.996) 2.985 2.946 ( 1.687 0.000 -1.187) 2.063 2.985 ( -0.392 0.000 -1.707) 1.751 3.090 ( 3.700 0.000 -9.563) 10.254 3.240 ( 0.484 0.000 1.815) 1.878 3.288 ( -1.052 0.000 0.016) 1.052 3.661 ( -12.395 0.000 3.268) 12.819 3.704 ( -8.025 0.000 1.460) 8.157 3.867 ( 0.371 0.000 1.915) 1.951 3.876 ( 0.013 0.000 1.536) 1.536 4.080 ( 0.677 0.000 1.465) 1.614 4.120 ( 0.207 0.000 1.113) 1.132 4.137 ( -0.455 0.000 0.141) 0.477 4.141 ( 1.256 0.000 -0.812) 1.496 4.483 ( 4.891 0.000 1.463) 5.106 4.564 ( 4.574 0.000 -3.332) 5.659 4.692 ( -1.742 0.000 0.982) 2.000 4.714 ( -1.005 0.000 0.012) 1.005 4.974 ( 1.487 0.000 0.648) 1.622 5.013 ( 2.041 0.000 -1.545) 2.560 5.788 ( 0.050 0.000 3.036) 3.036 5.792 ( -0.147 0.000 2.207) 2.212 5.889 ( 0.733 0.000 -2.317) 2.431 5.923 ( -0.634 0.000 -3.067) 3.132 6.604 ( -0.228 0.000 0.925) 0.953 6.645 ( -1.191 0.000 -1.254) 1.729 6.694 ( -0.212 0.000 -0.214) 0.301 6.699 ( -0.373 0.000 -0.569) 0.680 7.080 ( 0.119 0.000 0.982) 0.989 7.087 ( -0.169 0.000 0.538) 0.564 7.114 ( 0.236 0.000 -0.572) 0.619 7.123 ( -0.155 0.000 -0.894) 0.907 7.715 ( 0.664 0.000 0.190) 0.691 7.737 ( 1.440 0.000 -0.361) 1.484 7.777 ( -0.785 0.000 0.597) 0.986 7.825 ( -0.335 0.000 -1.442) 1.480 8.470 ( 1.539 0.000 1.914) 2.456 8.532 ( 0.134 0.000 -0.320) 0.347 8.581 ( 0.704 0.000 -0.882) 1.128 8.631 ( -0.584 0.000 -1.929) 2.015 12.194 ( 0.162 0.000 0.159) 0.227 12.199 ( 0.014 0.000 -0.082) 0.083 12.225 ( 0.031 0.000 0.114) 0.118 12.231 ( -0.169 0.000 -0.075) 0.185 15.700 ( 0.454 0.000 0.251) 0.519 15.720 ( -0.191 0.000 -0.362) 0.409 15.740 ( 0.193 0.000 0.269) 0.331 15.760 ( -0.463 0.000 -0.475) 0.663 16.173 ( 1.228 0.000 0.833) 1.484 16.240 ( 0.542 0.000 -2.678) 2.732 16.268 ( -1.874 0.000 -3.011) 3.547 16.280 ( -0.692 0.000 -2.926) 3.007 16.684 ( 1.636 0.000 2.675) 3.136 16.733 ( -0.222 0.000 0.981) 1.006 17.029 ( 1.586 0.000 4.613) 4.878 17.153 ( -3.617 0.000 -1.053) 3.768 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -2.726 0.000 6.779) 7.306 0.568 ( 2.726 0.000 6.779) 7.306 0.636 ( -2.292 0.000 5.697) 6.141 0.636 ( 2.292 0.000 5.697) 6.141 0.817 ( -0.962 0.000 -3.567) 3.694 0.817 ( 0.962 0.000 -3.567) 3.694 0.955 ( -7.142 0.000 -5.756) 9.173 0.955 ( 7.142 0.000 -5.756) 9.173 1.157 ( -8.386 0.000 4.638) 9.583 1.157 ( 8.386 0.000 4.638) 9.583 1.268 ( -1.756 0.000 -0.506) 1.828 1.268 ( 1.756 0.000 -0.506) 1.828 1.355 ( -0.749 0.000 16.314) 16.331 1.355 ( 0.749 0.000 16.314) 16.331 1.467 ( -1.611 0.000 2.894) 3.312 1.467 ( 1.611 0.000 2.894) 3.312 1.546 ( -1.176 0.000 -0.324) 1.220 1.546 ( 1.176 0.000 -0.324) 1.220 1.910 ( -5.601 0.000 0.855) 5.666 1.910 ( 5.601 0.000 0.855) 5.666 2.037 ( -0.858 0.000 -14.060) 14.086 2.037 ( 0.858 0.000 -14.060) 14.086 2.343 ( -2.490 0.000 -3.280) 4.118 2.343 ( 2.490 0.000 -3.280) 4.118 2.447 ( -10.013 0.000 6.576) 11.980 2.447 ( 10.013 0.000 6.576) 11.980 2.803 ( -1.583 0.000 2.326) 2.814 2.803 ( 1.583 0.000 2.326) 2.814 2.972 ( -0.944 0.000 -1.577) 1.838 2.972 ( 0.944 0.000 -1.577) 1.838 2.982 ( -12.873 0.000 -8.859) 15.627 2.982 ( 12.873 0.000 -8.859) 15.627 3.269 ( -1.431 0.000 1.184) 1.857 3.269 ( 1.431 0.000 1.184) 1.857 3.572 ( -3.162 0.000 0.710) 3.240 3.572 ( 3.162 0.000 0.710) 3.240 3.874 ( -0.249 0.000 1.763) 1.781 3.874 ( 0.249 0.000 1.763) 1.781 4.110 ( -2.534 0.000 -0.537) 2.590 4.110 ( 2.534 0.000 -0.537) 2.590 4.127 ( -0.485 0.000 0.585) 0.760 4.127 ( 0.485 0.000 0.585) 0.760 4.575 ( -3.033 0.000 -0.895) 3.162 4.575 ( 3.033 0.000 -0.895) 3.162 4.696 ( -1.209 0.000 1.493) 1.921 4.696 ( 1.209 0.000 1.493) 1.921 5.012 ( -1.791 0.000 -0.670) 1.913 5.012 ( 1.791 0.000 -0.670) 1.913 5.790 ( -0.124 0.000 2.647) 2.650 5.790 ( 0.124 0.000 2.647) 2.650 5.907 ( -0.950 0.000 -2.714) 2.875 5.907 ( 0.950 0.000 -2.714) 2.875 6.616 ( -1.366 0.000 -0.332) 1.406 6.616 ( 1.366 0.000 -0.332) 1.406 6.693 ( -0.191 0.000 -0.423) 0.464 6.693 ( 0.191 0.000 -0.423) 0.464 7.083 ( -0.188 0.000 0.774) 0.797 7.083 ( 0.188 0.000 0.774) 0.797 7.119 ( -0.261 0.000 -0.750) 0.794 7.119 ( 0.261 0.000 -0.750) 0.794 7.735 ( -1.133 0.000 0.987) 1.503 7.735 ( 1.133 0.000 0.987) 1.503 7.798 ( -2.050 0.000 -1.218) 2.385 7.798 ( 2.050 0.000 -1.218) 2.385 8.507 ( -1.968 0.000 1.638) 2.560 8.507 ( 1.968 0.000 1.638) 2.560 8.610 ( -1.516 0.000 -2.514) 2.936 8.610 ( 1.516 0.000 -2.514) 2.936 12.197 ( -0.155 0.000 0.079) 0.174 12.197 ( 0.155 0.000 0.079) 0.174 12.227 ( -0.182 0.000 -0.023) 0.183 12.227 ( 0.182 0.000 -0.023) 0.183 15.711 ( -0.590 0.000 0.214) 0.628 15.711 ( 0.590 0.000 0.214) 0.628 15.748 ( -0.597 0.000 -0.372) 0.704 15.748 ( 0.597 0.000 -0.372) 0.704 16.213 ( -2.528 0.000 -0.649) 2.610 16.213 ( 2.528 0.000 -0.649) 2.610 16.263 ( -0.930 0.000 -3.581) 3.700 16.263 ( 0.930 0.000 -3.581) 3.700 16.717 ( -1.394 0.000 2.110) 2.529 16.717 ( 1.394 0.000 2.110) 2.529 17.079 ( -3.354 0.000 2.042) 3.927 17.079 ( 3.354 0.000 2.042) 3.927 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 4.720 9.120) 10.269 0.697 ( 0.000 -0.382 -0.646) 0.751 0.754 ( 0.000 3.091 10.306) 10.760 0.768 ( 0.000 6.148 2.804) 6.758 0.826 ( 0.000 4.166 -5.962) 7.274 0.851 ( 0.000 4.991 -2.090) 5.411 0.903 ( 0.000 4.851 -1.632) 5.118 1.041 ( 0.000 3.676 11.662) 12.228 1.171 ( 0.000 -1.634 0.334) 1.668 1.302 ( 0.000 9.221 5.080) 10.528 1.315 ( 0.000 12.404 1.590) 12.505 1.330 ( 0.000 -1.098 1.294) 1.697 1.417 ( 0.000 -1.011 1.541) 1.843 1.450 ( 0.000 5.095 6.483) 8.245 1.524 ( 0.000 -1.826 1.326) 2.256 1.541 ( 0.000 11.333 11.206) 15.938 1.608 ( 0.000 14.688 -7.280) 16.393 1.635 ( 0.000 9.866 2.091) 10.085 1.901 ( 0.000 -7.154 -10.824) 12.974 1.918 ( 0.000 6.520 3.609) 7.452 2.047 ( 0.000 1.062 -12.309) 12.355 2.268 ( 0.000 8.051 -9.178) 12.209 2.283 ( 0.000 1.683 0.587) 1.783 2.405 ( 0.000 9.385 -0.473) 9.397 2.437 ( 0.000 5.439 -2.437) 5.960 2.586 ( 0.000 7.231 -13.220) 15.069 2.621 ( 0.000 -3.313 9.324) 9.895 2.794 ( 0.000 0.068 1.716) 1.717 2.901 ( 0.000 -0.418 -1.845) 1.892 2.936 ( 0.000 3.294 0.326) 3.310 2.983 ( 0.000 -1.344 -5.176) 5.348 2.995 ( 0.000 0.733 -1.641) 1.797 3.223 ( 0.000 -0.870 0.798) 1.181 3.261 ( 0.000 -3.311 -1.549) 3.655 3.750 ( 0.000 -4.611 4.188) 6.229 3.796 ( 0.000 -5.488 3.320) 6.414 3.871 ( 0.000 -1.499 6.084) 6.266 4.032 ( 0.000 9.610 1.943) 9.805 4.052 ( 0.000 3.605 -3.905) 5.315 4.100 ( 0.000 4.565 -1.118) 4.700 4.209 ( 0.000 8.003 2.353) 8.342 4.265 ( 0.000 10.564 -0.832) 10.597 4.421 ( 0.000 -1.246 0.655) 1.408 4.452 ( 0.000 -2.922 -1.404) 3.242 4.686 ( 0.000 -4.965 -1.308) 5.134 4.709 ( 0.000 -0.959 -1.777) 2.020 4.915 ( 0.000 -2.951 1.365) 3.252 4.947 ( 0.000 -2.882 0.002) 2.882 5.859 ( 0.000 6.270 1.919) 6.557 5.867 ( 0.000 7.500 2.913) 8.046 5.934 ( 0.000 5.209 -1.727) 5.488 6.000 ( 0.000 6.387 -2.995) 7.054 6.594 ( 0.000 -1.910 0.986) 2.150 6.628 ( 0.000 -2.901 -0.420) 2.931 6.658 ( 0.000 -3.739 -0.312) 3.752 6.665 ( 0.000 -3.569 -0.672) 3.632 7.140 ( 0.000 5.762 0.484) 5.783 7.149 ( 0.000 5.470 -0.378) 5.483 7.170 ( 0.000 5.711 -0.871) 5.777 7.172 ( 0.000 4.839 -0.828) 4.909 7.688 ( 0.000 -2.300 -0.673) 2.397 7.689 ( 0.000 -2.503 -0.312) 2.523 7.767 ( 0.000 -3.052 0.073) 3.053 7.769 ( 0.000 -4.286 0.097) 4.287 8.414 ( 0.000 -3.885 1.835) 4.296 8.476 ( 0.000 -4.312 -1.338) 4.515 8.533 ( 0.000 -4.483 1.108) 4.617 8.591 ( 0.000 -4.520 -1.423) 4.739 12.179 ( 0.000 -1.252 0.192) 1.266 12.186 ( 0.000 -1.193 -0.184) 1.207 12.211 ( 0.000 -1.338 0.193) 1.352 12.219 ( 0.000 -1.360 -0.071) 1.361 15.743 ( 0.000 2.201 -0.745) 2.323 15.746 ( 0.000 4.350 -1.200) 4.513 15.805 ( 0.000 3.988 -0.270) 3.997 15.806 ( 0.000 6.129 -1.226) 6.250 16.141 ( 0.000 -2.151 1.409) 2.571 16.226 ( 0.000 -1.257 -3.005) 3.258 16.262 ( 0.000 -1.548 -2.074) 2.588 16.280 ( 0.000 -1.344 -3.163) 3.437 16.644 ( 0.000 -2.071 2.591) 3.317 16.704 ( 0.000 -2.746 0.225) 2.755 16.953 ( 0.000 -5.898 5.929) 8.363 17.098 ( 0.000 -8.897 -0.135) 8.898 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -2.634 2.943 11.063) 11.747 0.692 ( -3.757 4.845 -0.233) 6.135 0.713 ( 0.824 5.247 6.144) 8.122 0.768 ( -0.929 6.365 3.565) 7.354 0.825 ( 1.003 3.553 -4.172) 5.571 0.871 ( 0.474 4.646 -3.289) 5.712 0.893 ( 0.835 4.699 -2.765) 5.516 1.045 ( -1.202 1.625 4.099) 4.571 1.176 ( 0.556 -1.698 2.174) 2.814 1.252 ( -3.308 -1.329 3.800) 5.210 1.334 ( 2.127 19.710 0.669) 19.836 1.369 ( 1.986 0.916 5.135) 5.582 1.419 ( 0.730 0.468 1.780) 1.980 1.462 ( -0.647 3.346 6.008) 6.908 1.495 ( -1.685 8.255 5.878) 10.273 1.541 ( 0.852 1.213 -1.823) 2.350 1.586 ( -1.669 13.110 3.520) 13.677 1.634 ( -2.149 11.126 -0.833) 11.362 1.864 ( -0.313 0.978 1.293) 1.651 1.925 ( -1.714 -1.240 -4.270) 4.766 2.057 ( 1.634 2.359 -10.998) 11.366 2.211 ( -4.414 7.879 -7.096) 11.485 2.322 ( 3.372 1.895 1.354) 4.098 2.370 ( 1.508 6.665 -2.044) 7.133 2.440 ( -0.640 7.196 -1.851) 7.458 2.602 ( -1.967 1.540 4.182) 4.871 2.709 ( 8.376 0.272 -5.041) 9.780 2.796 ( 0.032 0.445 1.494) 1.559 2.879 ( -0.658 2.241 -0.913) 2.507 2.964 ( 1.239 2.269 -0.489) 2.631 2.998 ( 0.756 1.542 -2.197) 2.789 3.063 ( 4.209 -1.901 -7.999) 9.237 3.216 ( -0.471 -2.260 1.874) 2.973 3.261 ( -0.367 -2.226 -0.252) 2.270 3.595 ( -10.283 -5.099 4.732) 12.415 3.652 ( -8.076 -4.035 1.393) 9.135 3.934 ( 1.671 3.746 0.929) 4.206 4.008 ( -1.815 10.289 -1.188) 10.516 4.078 ( 1.486 1.458 1.274) 2.441 4.123 ( 1.427 3.814 -0.105) 4.074 4.209 ( -1.086 6.727 1.183) 6.916 4.242 ( -1.233 8.233 0.240) 8.328 4.467 ( 4.833 -1.702 1.125) 5.246 4.542 ( 4.935 -2.243 -2.541) 5.986 4.654 ( -1.081 -3.131 0.923) 3.439 4.694 ( -1.445 -1.228 -0.971) 2.130 4.942 ( 1.192 -3.218 0.562) 3.478 4.966 ( 1.557 -4.258 -0.648) 4.580 5.859 ( 0.016 6.387 2.075) 6.716 5.864 ( -0.200 7.256 2.781) 7.773 5.943 ( 0.841 5.305 -1.887) 5.693 5.989 ( -1.021 6.098 -2.721) 6.755 6.585 ( -0.361 -1.963 0.899) 2.189 6.618 ( -1.083 -2.719 -0.805) 3.035 6.653 ( -0.283 -3.959 -0.047) 3.970 6.662 ( -0.363 -3.551 -0.631) 3.624 7.141 ( 0.119 5.754 0.415) 5.770 7.147 ( -0.127 5.655 -0.185) 5.659 7.171 ( 0.078 5.378 -0.887) 5.451 7.173 ( 0.057 5.144 -0.802) 5.206 7.689 ( 0.563 -2.502 0.171) 2.570 7.709 ( 1.103 -2.697 -0.332) 2.933 7.747 ( -0.433 -2.947 0.475) 3.017 7.784 ( 0.010 -3.812 -0.973) 3.934 8.431 ( 1.614 -3.803 1.805) 4.509 8.493 ( 0.577 -3.912 -0.597) 3.999 8.528 ( 0.286 -5.011 -0.083) 5.020 8.584 ( -0.771 -4.705 -1.749) 5.079 12.181 ( 0.170 -1.244 0.169) 1.267 12.186 ( 0.003 -1.205 -0.092) 1.208 12.211 ( 0.022 -1.348 0.104) 1.352 12.217 ( -0.173 -1.363 -0.073) 1.376 15.747 ( 0.349 3.028 -0.724) 3.133 15.749 ( 0.326 3.761 -0.780) 3.854 15.798 ( -0.538 5.415 -0.765) 5.495 15.800 ( -0.489 4.228 -0.635) 4.303 16.155 ( 1.483 -1.829 0.943) 2.536 16.235 ( 0.831 -1.184 -3.335) 3.635 16.249 ( -1.785 -1.326 -2.027) 3.009 16.268 ( -0.611 -1.103 -2.887) 3.151 16.656 ( 1.124 -2.655 2.396) 3.749 16.699 ( -0.542 -3.177 0.878) 3.341 16.966 ( 1.371 -6.046 4.853) 7.873 17.066 ( -2.735 -8.041 0.949) 8.546 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -3.455 5.161 4.765) 7.828 0.601 ( 3.455 5.161 4.765) 7.828 0.741 ( -1.588 7.428 4.814) 8.993 0.741 ( 1.588 7.428 4.814) 8.993 0.857 ( -1.247 3.541 -3.149) 4.900 0.857 ( 1.247 3.541 -3.149) 4.900 0.968 ( -5.377 2.352 -3.813) 6.999 0.968 ( 5.377 2.352 -3.813) 6.999 1.200 ( -1.856 -1.607 3.979) 4.675 1.200 ( 1.856 -1.607 3.979) 4.675 1.381 ( -1.463 9.511 3.370) 10.196 1.381 ( 1.463 9.511 3.370) 10.196 1.436 ( -0.804 1.629 3.895) 4.298 1.436 ( 0.804 1.629 3.895) 4.298 1.507 ( -3.609 10.251 1.284) 10.943 1.507 ( 3.609 10.251 1.284) 10.943 1.587 ( -2.506 6.956 2.780) 7.899 1.587 ( 2.506 6.956 2.780) 7.899 1.883 ( -1.800 -0.661 -1.883) 2.687 1.883 ( 1.800 -0.661 -1.883) 2.687 2.121 ( -4.232 5.950 -7.592) 10.534 2.121 ( 4.232 5.950 -7.592) 10.534 2.395 ( -2.480 4.150 -1.064) 4.951 2.395 ( 2.480 4.150 -1.064) 4.951 2.494 ( -7.602 4.943 3.558) 9.741 2.494 ( 7.602 4.943 3.558) 9.741 2.793 ( -0.876 -1.264 1.415) 2.089 2.793 ( 0.876 -1.264 1.415) 2.089 2.954 ( -4.287 0.216 -3.150) 5.324 2.954 ( 4.287 0.216 -3.150) 5.324 3.031 ( -4.154 3.485 -5.191) 7.507 3.031 ( 4.154 3.485 -5.191) 7.507 3.240 ( -1.920 -2.610 1.413) 3.535 3.240 ( 1.920 -2.610 1.413) 3.535 3.519 ( -3.001 -4.624 0.815) 5.572 3.519 ( 3.001 -4.624 0.815) 5.572 3.965 ( -1.909 6.914 -0.717) 7.209 3.965 ( 1.909 6.914 -0.717) 7.209 4.118 ( -1.986 3.569 1.355) 4.303 4.118 ( 1.986 3.569 1.355) 4.303 4.208 ( -1.568 6.910 0.003) 7.086 4.208 ( 1.568 6.910 0.003) 7.086 4.561 ( -3.060 -1.772 -0.648) 3.595 4.561 ( 3.060 -1.772 -0.648) 3.595 4.664 ( -1.450 -2.299 0.898) 2.862 4.664 ( 1.450 -2.299 0.898) 2.862 4.969 ( -1.200 -4.142 -0.347) 4.326 4.969 ( 1.200 -4.142 -0.347) 4.326 5.860 ( -0.170 6.759 2.442) 7.189 5.860 ( 0.170 6.759 2.442) 7.189 5.965 ( -1.233 5.605 -2.265) 6.169 5.965 ( 1.233 5.605 -2.265) 6.169 6.593 ( -1.113 -2.364 -0.075) 2.614 6.593 ( 1.113 -2.364 -0.075) 2.614 6.653 ( -0.341 -3.799 -0.368) 3.832 6.653 ( 0.341 -3.799 -0.368) 3.832 7.144 ( -0.181 5.769 0.172) 5.774 7.144 ( 0.181 5.769 0.172) 5.774 7.173 ( -0.055 5.267 -0.847) 5.335 7.173 ( 0.055 5.267 -0.847) 5.335 7.707 ( -0.954 -2.759 0.843) 3.038 7.707 ( 0.954 -2.759 0.843) 3.038 7.766 ( -1.604 -3.125 -1.046) 3.665 7.766 ( 1.604 -3.125 -1.046) 3.665 8.470 ( -2.017 -3.709 1.562) 4.502 8.470 ( 2.017 -3.709 1.562) 4.502 8.558 ( -1.744 -5.072 -2.164) 5.783 8.558 ( 1.744 -5.072 -2.164) 5.783 12.185 ( -0.167 -1.226 0.080) 1.240 12.185 ( 0.167 -1.226 0.080) 1.240 12.213 ( -0.180 -1.363 -0.036) 1.375 12.213 ( 0.180 -1.363 -0.036) 1.375 15.753 ( -0.091 3.613 -0.475) 3.645 15.753 ( 0.091 3.613 -0.475) 3.645 15.792 ( -0.124 4.478 -0.737) 4.540 15.792 ( 0.124 4.478 -0.737) 4.540 16.199 ( -2.683 -1.461 -0.684) 3.130 16.199 ( 2.683 -1.461 -0.684) 3.130 16.254 ( -0.864 -0.850 -3.193) 3.415 16.254 ( 0.864 -0.850 -3.193) 3.415 16.681 ( -1.216 -3.385 1.877) 4.057 16.681 ( 1.216 -3.385 1.877) 4.057 17.008 ( -2.727 -6.743 2.829) 7.804 17.008 ( 2.727 -6.743 2.829) 7.804 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 3.338 4.592) 5.677 0.759 ( 0.000 7.947 5.566) 9.703 0.855 ( 0.000 6.199 4.141) 7.455 0.884 ( 0.000 5.485 1.847) 5.787 0.925 ( 0.000 5.475 -5.504) 7.763 0.953 ( 0.000 5.302 -1.052) 5.405 0.990 ( 0.000 4.028 -1.232) 4.212 1.132 ( 0.000 3.427 1.311) 3.669 1.171 ( 0.000 2.595 4.248) 4.978 1.258 ( 0.000 -1.772 2.422) 3.001 1.316 ( 0.000 -0.435 1.173) 1.251 1.391 ( 0.000 -1.580 1.170) 1.966 1.490 ( 0.000 -1.062 1.597) 1.918 1.494 ( 0.000 1.521 -1.432) 2.089 1.601 ( 0.000 5.609 1.895) 5.921 1.713 ( 0.000 6.944 1.025) 7.019 1.727 ( 0.000 -4.769 -9.414) 10.553 1.936 ( 0.000 14.857 6.850) 16.360 1.952 ( 0.000 11.033 -5.397) 12.282 2.054 ( 0.000 0.571 -6.279) 6.305 2.145 ( 0.000 15.279 1.060) 15.316 2.321 ( 0.000 3.499 4.981) 6.087 2.389 ( 0.000 4.262 -8.634) 9.628 2.520 ( 0.000 1.174 4.744) 4.887 2.546 ( 0.000 4.991 0.229) 4.996 2.650 ( 0.000 6.762 2.872) 7.347 2.710 ( 0.000 4.376 -5.740) 7.218 2.775 ( 0.000 -1.520 -3.102) 3.455 2.895 ( 0.000 0.163 0.482) 0.509 2.981 ( 0.000 1.138 -2.164) 2.445 3.015 ( 0.000 1.106 -1.544) 1.899 3.018 ( 0.000 3.575 -1.679) 3.949 3.209 ( 0.000 -0.802 -0.720) 1.078 3.215 ( 0.000 0.351 -0.394) 0.528 3.660 ( 0.000 -4.338 2.670) 5.093 3.688 ( 0.000 -5.279 2.921) 6.033 3.846 ( 0.000 -0.313 6.100) 6.108 4.048 ( 0.000 -1.097 -2.098) 2.368 4.269 ( 0.000 10.974 0.659) 10.994 4.310 ( 0.000 12.848 -2.501) 13.089 4.333 ( 0.000 3.172 2.283) 3.908 4.368 ( 0.000 -3.385 -0.276) 3.396 4.447 ( 0.000 6.535 -0.962) 6.606 4.494 ( 0.000 11.781 -2.206) 11.986 4.613 ( 0.000 -1.363 0.819) 1.590 4.706 ( 0.000 0.785 -2.955) 3.057 4.850 ( 0.000 -3.225 1.184) 3.436 4.880 ( 0.000 -3.778 -0.206) 3.784 6.008 ( 0.000 8.498 1.330) 8.601 6.037 ( 0.000 9.361 2.490) 9.686 6.060 ( 0.000 7.293 -1.134) 7.381 6.136 ( 0.000 7.122 -1.761) 7.336 6.541 ( 0.000 -3.478 0.823) 3.574 6.549 ( 0.000 -5.014 0.500) 5.039 6.567 ( 0.000 -5.346 -0.167) 5.349 6.588 ( 0.000 -4.217 -1.061) 4.348 7.265 ( 0.000 6.330 -0.220) 6.334 7.271 ( 0.000 7.122 -0.329) 7.129 7.299 ( 0.000 7.480 -1.468) 7.623 7.304 ( 0.000 7.503 -1.350) 7.623 7.630 ( 0.000 -3.283 -0.372) 3.304 7.632 ( 0.000 -3.240 -0.613) 3.297 7.680 ( 0.000 -4.482 0.651) 4.529 7.692 ( 0.000 -4.318 -0.007) 4.318 8.319 ( 0.000 -5.627 1.376) 5.793 8.366 ( 0.000 -6.665 -1.000) 6.740 8.430 ( 0.000 -5.768 0.961) 5.848 8.478 ( 0.000 -6.670 -1.150) 6.769 12.149 ( 0.000 -1.661 0.205) 1.673 12.157 ( 0.000 -1.672 -0.203) 1.684 12.178 ( 0.000 -1.959 0.178) 1.967 12.185 ( 0.000 -2.055 -0.039) 2.056 15.795 ( 0.000 2.856 -0.589) 2.916 15.838 ( 0.000 4.620 -2.981) 5.498 15.901 ( 0.000 5.432 -0.011) 5.432 15.924 ( 0.000 5.296 -2.270) 5.762 16.088 ( 0.000 -2.904 0.978) 3.064 16.168 ( 0.000 -4.054 -2.663) 4.850 16.248 ( 0.000 -1.791 -2.250) 2.876 16.250 ( 0.000 -0.013 -2.713) 2.713 16.592 ( 0.000 -3.139 2.153) 3.806 16.641 ( 0.000 -3.515 0.114) 3.517 16.817 ( 0.000 -7.275 5.839) 9.329 16.910 ( 0.000 -9.640 2.707) 10.013 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.215 6.942 5.191) 8.671 0.798 ( 2.154 6.601 2.744) 7.466 0.832 ( -2.262 6.431 2.146) 7.147 0.882 ( -0.351 5.323 1.806) 5.632 0.919 ( 0.550 5.422 -2.437) 5.970 0.977 ( 0.849 5.732 -1.595) 6.010 0.981 ( 0.175 4.096 -2.030) 4.575 1.103 ( -2.604 3.485 0.326) 4.362 1.176 ( 0.531 1.919 3.056) 3.647 1.230 ( -2.132 -0.342 2.341) 3.184 1.342 ( 2.142 -1.437 1.803) 3.147 1.405 ( 0.901 -1.373 1.710) 2.371 1.453 ( -1.335 0.088 1.362) 1.910 1.545 ( 0.512 1.130 -4.642) 4.805 1.584 ( -2.882 1.935 3.000) 4.588 1.618 ( 1.024 3.783 1.189) 4.095 1.847 ( 3.909 0.816 -2.520) 4.721 1.914 ( -1.254 11.827 2.464) 12.146 1.955 ( -0.592 16.290 -1.314) 16.354 2.038 ( -5.950 11.657 -4.270) 13.767 2.106 ( 2.729 2.697 -3.870) 5.450 2.315 ( -5.095 2.824 -1.770) 6.088 2.373 ( 4.133 3.881 2.183) 6.076 2.480 ( 0.038 5.496 0.329) 5.506 2.588 ( 0.219 4.335 -2.309) 4.916 2.642 ( -0.366 4.335 5.926) 7.352 2.736 ( 2.056 1.829 -2.576) 3.769 2.787 ( -0.313 -0.923 -0.244) 1.005 2.914 ( 2.150 1.865 -0.787) 2.953 3.011 ( 1.403 0.752 -2.299) 2.796 3.044 ( 2.539 2.114 -1.499) 3.628 3.062 ( 3.884 2.191 -3.117) 5.441 3.182 ( -1.252 0.301 1.211) 1.767 3.227 ( 0.166 -0.908 -1.171) 1.491 3.504 ( -10.342 -3.912 4.393) 11.898 3.568 ( -7.975 -4.396 0.844) 9.145 3.962 ( 5.631 0.583 1.543) 5.868 4.061 ( 0.429 0.145 -2.169) 2.215 4.271 ( 0.597 9.718 1.487) 9.849 4.314 ( 0.079 13.458 -0.539) 13.469 4.320 ( -0.127 4.903 0.482) 4.928 4.392 ( -0.902 1.346 -1.392) 2.136 4.462 ( 3.167 5.343 1.304) 6.346 4.523 ( 1.957 4.413 -1.599) 5.086 4.618 ( 0.936 0.353 0.815) 1.291 4.693 ( -1.401 1.364 -2.646) 3.290 4.863 ( 0.702 -4.425 0.608) 4.521 4.878 ( -0.051 -4.481 -0.056) 4.481 6.009 ( 0.204 8.560 1.477) 8.689 6.030 ( -0.626 9.070 2.131) 9.338 6.071 ( 0.960 7.386 -1.042) 7.521 6.123 ( -1.202 7.194 -1.601) 7.468 6.530 ( -0.599 -3.713 0.905) 3.868 6.547 ( -0.572 -4.439 -0.055) 4.476 6.559 ( -0.357 -5.459 0.042) 5.471 6.580 ( -0.758 -4.576 -0.893) 4.723 7.268 ( 0.330 6.762 -0.151) 6.772 7.277 ( 0.360 7.255 -0.514) 7.282 7.297 ( -0.139 7.281 -1.238) 7.387 7.304 ( -0.088 7.446 -1.350) 7.568 7.630 ( 0.373 -3.291 0.092) 3.313 7.645 ( 0.574 -3.602 -0.299) 3.660 7.676 ( 0.093 -4.035 0.321) 4.049 7.698 ( 0.151 -4.713 -0.430) 4.735 8.337 ( 1.687 -5.597 1.349) 6.000 8.388 ( 1.870 -6.678 -1.214) 7.040 8.417 ( -1.184 -5.936 0.971) 6.130 8.468 ( -1.082 -6.836 -1.312) 7.044 12.151 ( 0.175 -1.666 0.176) 1.685 12.157 ( -0.013 -1.675 -0.107) 1.679 12.178 ( -0.004 -1.981 0.087) 1.983 12.183 ( -0.169 -2.048 -0.058) 2.056 15.805 ( 1.017 3.181 -0.455) 3.370 15.841 ( 0.129 4.803 -1.993) 5.202 15.893 ( -0.593 5.019 -0.952) 5.143 15.913 ( -0.987 5.384 -2.277) 5.929 16.109 ( 2.037 -2.667 0.782) 3.446 16.180 ( 0.756 -3.650 -3.076) 4.833 16.230 ( -1.302 -1.518 -1.300) 2.385 16.247 ( -0.504 -0.774 -2.865) 3.010 16.596 ( 0.402 -3.204 2.041) 3.820 16.630 ( -0.969 -3.496 0.705) 3.696 16.826 ( 0.955 -7.616 4.985) 9.152 16.891 ( -1.657 -9.236 2.940) 9.833 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -3.667 8.625 2.396) 9.674 0.746 ( 3.667 8.625 2.396) 9.674 0.860 ( -2.000 5.030 2.045) 5.787 0.860 ( 2.000 5.030 2.045) 5.787 0.948 ( -1.831 5.355 -0.951) 5.739 0.948 ( 1.831 5.355 -0.951) 5.739 1.037 ( -3.574 4.219 -2.615) 6.117 1.037 ( 3.574 4.219 -2.615) 6.117 1.194 ( -1.331 1.229 2.797) 3.333 1.194 ( 1.331 1.229 2.797) 3.333 1.387 ( -2.193 -2.185 1.924) 3.645 1.387 ( 2.193 -2.185 1.924) 3.645 1.477 ( -3.344 1.755 0.555) 3.817 1.477 ( 3.344 1.755 0.555) 3.817 1.617 ( -1.588 1.922 1.128) 2.737 1.617 ( 1.588 1.922 1.128) 2.737 1.892 ( -1.535 4.200 -0.109) 4.473 1.892 ( 1.535 4.200 -0.109) 4.473 1.947 ( -1.539 17.796 -1.355) 17.914 1.947 ( 1.539 17.796 -1.355) 17.914 2.203 ( -5.488 2.098 -3.239) 6.709 2.203 ( 5.488 2.098 -3.239) 6.709 2.468 ( -2.866 2.683 -2.463) 4.635 2.468 ( 2.866 2.683 -2.463) 4.635 2.605 ( -2.543 5.899 3.781) 7.454 2.605 ( 2.543 5.899 3.781) 7.454 2.768 ( -1.184 -0.480 1.287) 1.813 2.768 ( 1.184 -0.480 1.287) 1.813 2.982 ( -3.831 2.202 -0.917) 4.513 2.982 ( 3.831 2.202 -0.917) 4.513 3.096 ( -1.561 1.921 -2.431) 3.469 3.096 ( 1.561 1.921 -2.431) 3.469 3.201 ( -2.830 -0.097 0.684) 2.913 3.201 ( 2.830 -0.097 0.684) 2.913 3.425 ( -3.686 -4.673 0.414) 5.966 3.425 ( 3.686 -4.673 0.414) 5.966 4.041 ( -2.498 2.086 -1.599) 3.626 4.041 ( 2.498 2.086 -1.599) 3.626 4.293 ( -1.393 10.003 1.746) 10.249 4.293 ( 1.393 10.003 1.746) 10.249 4.351 ( -2.277 7.140 -1.018) 7.563 4.351 ( 2.277 7.140 -1.018) 7.563 4.528 ( -1.963 1.052 0.508) 2.284 4.528 ( 1.963 1.052 0.508) 2.284 4.653 ( -2.266 1.727 -0.952) 3.003 4.653 ( 2.266 1.727 -0.952) 3.003 4.874 ( -0.522 -5.218 0.058) 5.244 4.874 ( 0.522 -5.218 0.058) 5.244 6.017 ( -0.563 8.758 1.794) 8.957 6.017 ( 0.563 8.758 1.794) 8.957 6.096 ( -1.410 7.306 -1.297) 7.553 6.096 ( 1.410 7.306 -1.297) 7.553 6.530 ( -0.649 -4.074 0.424) 4.147 6.530 ( 0.649 -4.074 0.424) 4.147 6.564 ( -0.700 -5.104 -0.494) 5.175 6.564 ( 0.700 -5.104 -0.494) 5.175 7.276 ( -0.386 7.335 -0.377) 7.354 7.276 ( 0.386 7.335 -0.377) 7.354 7.299 ( -0.316 7.179 -1.200) 7.286 7.299 ( 0.316 7.179 -1.200) 7.286 7.642 ( -0.645 -3.566 0.531) 3.663 7.642 ( 0.645 -3.566 0.531) 3.663 7.690 ( -0.897 -4.379 -0.652) 4.517 7.690 ( 0.897 -4.379 -0.652) 4.517 8.377 ( -2.107 -5.533 1.211) 6.043 8.377 ( 2.107 -5.533 1.211) 6.043 8.436 ( -2.049 -7.132 -1.489) 7.568 8.436 ( 2.049 -7.132 -1.489) 7.568 12.155 ( -0.180 -1.674 0.077) 1.686 12.155 ( 0.180 -1.674 0.077) 1.686 12.179 ( -0.160 -2.023 -0.049) 2.030 12.179 ( 0.160 -2.023 -0.049) 2.030 15.830 ( -1.216 4.160 -0.365) 4.349 15.830 ( 1.216 4.160 -0.365) 4.349 15.893 ( -0.738 5.075 -2.362) 5.646 15.893 ( 0.738 5.075 -2.362) 5.646 16.160 ( -2.612 -2.307 -0.756) 3.566 16.160 ( 2.612 -2.307 -0.756) 3.566 16.229 ( -1.073 -1.889 -2.404) 3.240 16.229 ( 1.073 -1.889 -2.404) 3.240 16.609 ( -0.952 -3.353 1.580) 3.827 16.609 ( 0.952 -3.353 1.580) 3.827 16.854 ( -1.770 -8.411 3.669) 9.345 16.854 ( 1.770 -8.411 3.669) 9.345 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 6.624 4.579) 8.053 0.900 ( 0.000 5.497 1.828) 5.792 0.952 ( 0.000 3.321 1.282) 3.560 0.970 ( 0.000 3.198 0.045) 3.198 1.014 ( 0.000 3.404 -2.603) 4.285 1.043 ( 0.000 2.622 -2.137) 3.382 1.060 ( 0.000 4.211 0.448) 4.235 1.141 ( 0.000 -0.612 -1.805) 1.906 1.226 ( 0.000 0.701 2.283) 2.388 1.279 ( 0.000 4.082 5.121) 6.549 1.302 ( 0.000 -1.373 0.896) 1.640 1.361 ( 0.000 -1.358 1.197) 1.810 1.496 ( 0.000 1.393 2.979) 3.289 1.509 ( 0.000 0.141 -3.280) 3.283 1.637 ( 0.000 -3.538 -7.462) 8.258 1.644 ( 0.000 0.029 -2.805) 2.806 1.827 ( 0.000 5.184 0.719) 5.234 1.984 ( 0.000 -2.897 -8.197) 8.694 2.078 ( 0.000 2.678 4.889) 5.575 2.139 ( 0.000 2.757 1.424) 3.103 2.367 ( 0.000 3.146 1.733) 3.592 2.424 ( 0.000 -0.345 -3.862) 3.877 2.439 ( 0.000 10.453 -0.022) 10.453 2.594 ( 0.000 6.024 5.867) 8.409 2.608 ( 0.000 1.391 -0.670) 1.544 2.739 ( 0.000 -1.849 -4.900) 5.237 2.754 ( 0.000 3.904 1.590) 4.216 2.773 ( 0.000 1.971 1.232) 2.324 2.923 ( 0.000 2.990 3.493) 4.598 2.995 ( 0.000 0.800 -1.697) 1.876 3.026 ( 0.000 -0.034 -1.980) 1.980 3.047 ( 0.000 -0.649 1.273) 1.429 3.236 ( 0.000 1.424 -0.759) 1.614 3.237 ( 0.000 2.189 -0.535) 2.253 3.593 ( 0.000 -2.462 1.655) 2.967 3.606 ( 0.000 -3.082 1.755) 3.546 3.876 ( 0.000 3.372 1.482) 3.684 4.022 ( 0.000 -2.018 -3.235) 3.812 4.254 ( 0.000 -2.892 2.305) 3.698 4.272 ( 0.000 -4.410 0.474) 4.436 4.539 ( 0.000 6.499 0.731) 6.540 4.562 ( 0.000 10.590 -0.096) 10.590 4.585 ( 0.000 5.778 -0.654) 5.815 4.633 ( 0.000 5.985 -2.448) 6.466 4.709 ( 0.000 7.740 -0.383) 7.750 4.722 ( 0.000 0.469 -0.172) 0.499 4.815 ( 0.000 -2.322 -0.573) 2.392 4.829 ( 0.000 1.520 -1.800) 2.356 6.157 ( 0.000 6.484 0.703) 6.522 6.187 ( 0.000 5.161 -0.665) 5.204 6.198 ( 0.000 6.858 1.589) 7.040 6.252 ( 0.000 4.445 -0.657) 4.494 6.456 ( 0.000 -4.142 0.567) 4.181 6.467 ( 0.000 -3.777 0.493) 3.809 6.473 ( 0.000 -3.945 0.164) 3.949 6.507 ( 0.000 -4.084 -0.867) 4.175 7.376 ( 0.000 4.612 -0.078) 4.613 7.385 ( 0.000 4.240 -0.572) 4.278 7.423 ( 0.000 4.818 -1.488) 5.043 7.430 ( 0.000 4.971 -1.422) 5.171 7.578 ( 0.000 -1.936 -0.513) 2.003 7.579 ( 0.000 -1.704 -0.542) 1.788 7.609 ( 0.000 -2.694 0.686) 2.780 7.617 ( 0.000 -3.106 0.269) 3.117 8.219 ( 0.000 -4.193 0.634) 4.241 8.243 ( 0.000 -5.456 -0.588) 5.487 8.332 ( 0.000 -3.902 0.456) 3.929 8.358 ( 0.000 -5.200 -0.674) 5.243 12.123 ( 0.000 -0.954 0.162) 0.968 12.128 ( 0.000 -1.153 -0.148) 1.162 12.143 ( 0.000 -1.488 0.122) 1.493 12.147 ( 0.000 -1.686 0.018) 1.686 15.845 ( 0.000 2.293 -0.623) 2.376 15.898 ( 0.000 1.072 -3.552) 3.710 15.987 ( 0.000 1.288 -0.094) 1.291 15.993 ( 0.000 3.587 -0.290) 3.599 16.062 ( 0.000 0.760 -1.475) 1.659 16.095 ( 0.000 -3.003 -2.698) 4.037 16.220 ( 0.000 -0.848 -1.011) 1.319 16.247 ( 0.000 -0.581 -2.639) 2.702 16.533 ( 0.000 -2.463 2.473) 3.490 16.575 ( 0.000 -3.325 0.339) 3.342 16.710 ( 0.000 -3.315 4.526) 5.610 16.756 ( 0.000 -5.875 3.142) 6.662 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 2.048 6.937 3.867) 8.201 0.914 ( 1.114 4.523 1.357) 4.852 0.946 ( -0.887 4.610 1.920) 5.072 0.968 ( -0.410 3.324 -0.185) 3.355 1.013 ( 0.207 4.133 -1.496) 4.401 1.042 ( -0.244 2.235 -1.977) 2.993 1.063 ( 0.712 2.691 -1.148) 3.011 1.130 ( -1.286 -0.295 -2.377) 2.718 1.229 ( 0.565 1.519 3.266) 3.646 1.266 ( -0.941 4.755 5.021) 6.980 1.315 ( 1.247 -1.453 1.241) 2.282 1.371 ( 0.032 -1.856 2.062) 2.774 1.479 ( 0.513 2.557 0.581) 2.672 1.562 ( 1.946 0.367 -4.115) 4.567 1.580 ( -2.045 -0.675 -1.222) 2.476 1.653 ( -0.201 -0.343 -2.719) 2.748 1.874 ( 2.816 2.481 0.417) 3.776 1.990 ( -1.493 0.987 -3.296) 3.750 2.074 ( 1.988 -2.374 -0.270) 3.109 2.141 ( -0.058 0.882 -1.560) 1.793 2.315 ( -3.685 8.684 -1.253) 9.517 2.380 ( -4.828 6.916 -1.478) 8.563 2.441 ( 1.402 1.300 -1.327) 2.327 2.554 ( -3.160 1.011 -1.174) 3.519 2.643 ( 3.132 3.773 3.072) 5.786 2.723 ( 0.209 1.893 3.104) 3.642 2.763 ( 0.084 1.679 0.711) 1.826 2.794 ( 0.303 1.480 1.243) 1.956 2.966 ( 3.025 3.566 2.508) 5.307 3.017 ( 2.663 0.576 -0.066) 2.725 3.048 ( 1.745 -0.344 -1.266) 2.183 3.090 ( 3.101 -0.234 -0.184) 3.115 3.223 ( -1.020 1.623 0.076) 1.919 3.230 ( -0.015 1.459 -1.053) 1.800 3.453 ( -10.303 -1.440 1.920) 10.579 3.494 ( -8.058 -3.166 0.278) 8.662 3.995 ( 7.335 2.982 0.286) 7.923 4.068 ( 3.087 0.404 -1.920) 3.658 4.249 ( 0.468 -3.220 1.559) 3.608 4.298 ( 0.751 -5.805 -0.328) 5.862 4.533 ( 0.326 7.376 1.533) 7.541 4.564 ( -0.077 9.036 0.273) 9.041 4.597 ( 0.975 6.581 -0.913) 6.715 4.640 ( -0.130 5.483 -2.609) 6.073 4.711 ( 0.703 7.057 -0.169) 7.094 4.731 ( 0.715 1.738 -0.626) 1.981 4.803 ( -0.952 -2.550 -0.289) 2.738 4.816 ( -1.267 0.967 -1.387) 2.112 6.160 ( 0.292 6.547 0.792) 6.601 6.184 ( -0.515 6.328 0.542) 6.372 6.201 ( 0.561 5.593 0.200) 5.625 6.242 ( -0.962 4.608 -0.646) 4.751 6.449 ( -0.518 -4.001 0.719) 4.098 6.461 ( -0.682 -4.086 -0.033) 4.142 6.465 ( -0.296 -3.921 0.378) 3.950 6.494 ( -1.095 -4.197 -0.761) 4.404 7.384 ( 0.815 4.850 -0.188) 4.921 7.396 ( 0.874 4.489 -0.678) 4.624 7.420 ( -0.365 4.951 -1.356) 5.146 7.429 ( -0.238 4.954 -1.452) 5.168 7.578 ( 0.202 -1.775 -0.078) 1.788 7.586 ( 0.369 -2.214 -0.312) 2.266 7.607 ( -0.073 -2.818 0.455) 2.856 7.618 ( -0.058 -3.369 0.074) 3.370 8.238 ( 1.760 -4.131 0.627) 4.534 8.264 ( 1.916 -5.515 -0.702) 5.881 8.318 ( -1.409 -3.934 0.505) 4.209 8.345 ( -1.320 -5.314 -0.735) 5.524 12.124 ( 0.153 -0.969 0.138) 0.991 12.129 ( 0.025 -1.104 -0.090) 1.108 12.142 ( -0.072 -1.546 0.071) 1.549 12.145 ( -0.149 -1.678 -0.012) 1.685 15.862 ( 1.646 2.613 -0.489) 3.127 15.911 ( 1.140 1.855 -3.026) 3.728 15.971 ( -1.793 2.976 -0.438) 3.502 15.991 ( -0.577 2.624 -1.140) 2.919 16.072 ( 1.628 -0.780 -1.016) 2.071 16.113 ( 1.743 -3.084 -2.902) 4.579 16.199 ( -2.023 -1.248 -0.699) 2.478 16.227 ( -1.916 -1.454 -2.638) 3.570 16.550 ( 1.501 -1.173 2.312) 2.996 16.578 ( 0.243 -1.897 0.914) 2.119 16.705 ( -0.350 -4.480 4.119) 6.095 16.739 ( -1.555 -6.178 3.174) 7.118 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.821 6.229 2.436) 7.259 0.893 ( 2.821 6.229 2.436) 7.259 0.951 ( -1.228 4.181 0.769) 4.425 0.951 ( 1.228 4.181 0.769) 4.425 1.028 ( -1.037 2.851 -1.242) 3.278 1.028 ( 1.037 2.851 -1.242) 3.278 1.093 ( -2.029 0.783 -2.654) 3.431 1.093 ( 2.029 0.783 -2.654) 3.431 1.247 ( -0.997 3.814 4.539) 6.012 1.247 ( 0.997 3.814 4.539) 6.012 1.348 ( -1.853 -1.806 1.990) 3.264 1.348 ( 1.853 -1.806 1.990) 3.264 1.516 ( -2.575 2.659 -0.791) 3.785 1.516 ( 2.575 2.659 -0.791) 3.785 1.628 ( -2.376 -0.741 -1.865) 3.110 1.628 ( 2.376 -0.741 -1.865) 3.110 1.930 ( -3.170 2.410 0.985) 4.102 1.930 ( 3.170 2.410 0.985) 4.102 2.128 ( -1.673 -3.304 -4.480) 5.813 2.128 ( 1.673 -3.304 -4.480) 5.813 2.296 ( -2.504 9.793 -0.874) 10.146 2.296 ( 2.504 9.793 -0.874) 10.146 2.485 ( -3.189 -0.808 -4.189) 5.326 2.485 ( 3.189 -0.808 -4.189) 5.326 2.707 ( -2.473 4.499 4.608) 6.898 2.707 ( 2.473 4.499 4.608) 6.898 2.779 ( -1.431 0.878 2.137) 2.718 2.779 ( 1.431 0.878 2.137) 2.718 3.029 ( -2.846 2.662 1.624) 4.222 3.029 ( 2.846 2.662 1.624) 4.222 3.098 ( -3.329 -0.539 0.971) 3.510 3.098 ( 3.329 -0.539 0.971) 3.510 3.234 ( -2.468 2.330 -1.155) 3.585 3.234 ( 2.468 2.330 -1.155) 3.585 3.349 ( -3.809 -3.438 -0.057) 5.131 3.349 ( 3.809 -3.438 -0.057) 5.131 4.090 ( -1.673 3.430 -0.956) 3.934 4.090 ( 1.673 3.430 -0.956) 3.934 4.278 ( -2.091 -5.312 0.208) 5.713 4.278 ( 2.091 -5.312 0.208) 5.713 4.554 ( -1.093 7.764 1.045) 7.909 4.554 ( 1.093 7.764 1.045) 7.909 4.619 ( -1.364 6.056 -1.323) 6.347 4.619 ( 1.364 6.056 -1.323) 6.347 4.736 ( -0.830 5.249 -1.144) 5.436 4.736 ( 0.830 5.249 -1.144) 5.436 4.792 ( -0.427 -1.939 -0.282) 2.005 4.792 ( 0.427 -1.939 -0.282) 2.005 6.170 ( -0.697 6.663 0.931) 6.764 6.170 ( 0.697 6.663 0.931) 6.764 6.219 ( -1.136 4.928 -0.528) 5.085 6.219 ( 1.136 4.928 -0.528) 5.085 6.446 ( -0.399 -3.996 0.531) 4.051 6.446 ( 0.399 -3.996 0.531) 4.051 6.472 ( -0.900 -4.238 -0.408) 4.351 6.472 ( 0.900 -4.238 -0.408) 4.351 7.403 ( -0.740 5.253 -0.591) 5.338 7.403 ( 0.740 5.253 -0.591) 5.338 7.419 ( -0.677 4.635 -1.294) 4.859 7.419 ( 0.677 4.635 -1.294) 4.859 7.585 ( -0.378 -2.009 0.346) 2.073 7.585 ( 0.378 -2.009 0.346) 2.073 7.612 ( -0.460 -3.399 -0.166) 3.434 7.612 ( 0.460 -3.399 -0.166) 3.434 8.280 ( -2.216 -4.008 0.580) 4.616 8.280 ( 2.216 -4.008 0.580) 4.616 8.308 ( -2.232 -5.512 -0.797) 6.000 8.308 ( 2.232 -5.512 -0.797) 6.000 12.128 ( -0.148 -1.007 0.058) 1.019 12.128 ( 0.148 -1.007 0.058) 1.019 12.142 ( -0.112 -1.650 -0.028) 1.654 12.142 ( 0.112 -1.650 -0.028) 1.654 15.905 ( -2.264 3.457 -0.317) 4.145 15.905 ( 2.264 3.457 -0.317) 4.145 15.963 ( -1.570 1.850 -2.600) 3.557 15.963 ( 1.570 1.850 -2.600) 3.557 16.124 ( -2.582 -1.044 -0.978) 2.951 16.124 ( 2.582 -1.044 -0.978) 2.951 16.180 ( -2.104 -3.014 -2.271) 4.321 16.180 ( 2.104 -3.014 -2.271) 4.321 16.576 ( -0.713 0.162 1.868) 2.006 16.576 ( 0.713 0.162 1.868) 2.006 16.709 ( -0.993 -6.433 3.419) 7.353 16.709 ( 0.993 -6.433 3.419) 7.353 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 -3.185 1.941) 3.730 0.929 ( 0.000 3.185 1.941) 3.730 0.986 ( 0.000 -0.708 0.579) 0.914 0.986 ( 0.000 0.708 0.579) 0.914 1.055 ( 0.000 -0.962 -1.678) 1.934 1.055 ( 0.000 0.962 -1.678) 1.934 1.124 ( 0.000 -1.774 -1.342) 2.224 1.124 ( 0.000 1.774 -1.342) 2.224 1.259 ( 0.000 -2.710 2.281) 3.542 1.259 ( 0.000 2.710 2.281) 3.542 1.337 ( 0.000 -1.687 3.237) 3.650 1.337 ( 0.000 1.687 3.237) 3.650 1.510 ( 0.000 -0.072 -1.346) 1.348 1.510 ( 0.000 0.072 -1.346) 1.348 1.621 ( 0.000 -1.553 -4.519) 4.778 1.621 ( 0.000 1.553 -4.519) 4.778 1.916 ( 0.000 -4.074 -2.709) 4.893 1.916 ( 0.000 4.074 -2.709) 4.893 2.126 ( 0.000 -2.635 0.670) 2.718 2.126 ( 0.000 2.635 0.670) 2.718 2.400 ( 0.000 -1.561 2.131) 2.641 2.400 ( 0.000 1.561 2.131) 2.641 2.587 ( 0.000 -4.222 -3.276) 5.344 2.587 ( 0.000 4.222 -3.276) 5.344 2.684 ( 0.000 -3.425 2.099) 4.017 2.684 ( 0.000 3.425 2.099) 4.017 2.797 ( 0.000 -0.255 1.145) 1.173 2.797 ( 0.000 0.255 1.145) 1.173 2.998 ( 0.000 -3.873 3.954) 5.535 2.998 ( 0.000 3.873 3.954) 5.535 3.016 ( 0.000 -0.883 -1.605) 1.832 3.016 ( 0.000 0.883 -1.605) 1.832 3.255 ( 0.000 -0.291 -0.446) 0.533 3.255 ( 0.000 0.291 -0.446) 0.533 3.572 ( 0.000 -0.407 1.223) 1.289 3.572 ( 0.000 0.407 1.223) 1.289 3.958 ( 0.000 -4.469 -2.990) 5.377 3.958 ( 0.000 4.469 -2.990) 5.377 4.225 ( 0.000 -0.254 2.408) 2.422 4.225 ( 0.000 0.254 2.408) 2.422 4.601 ( 0.000 -1.714 0.645) 1.831 4.601 ( 0.000 1.714 0.645) 1.831 4.685 ( 0.000 -2.067 -1.037) 2.313 4.685 ( 0.000 2.067 -1.037) 2.313 4.764 ( 0.000 -1.613 0.335) 1.648 4.764 ( 0.000 1.613 0.335) 1.648 4.838 ( 0.000 -2.142 -2.703) 3.449 4.838 ( 0.000 2.142 -2.703) 3.449 6.233 ( 0.000 -0.839 -0.154) 0.852 6.233 ( 0.000 0.839 -0.154) 0.852 6.284 ( 0.000 -1.624 0.411) 1.675 6.284 ( 0.000 1.624 0.411) 1.675 6.417 ( 0.000 -0.653 0.837) 1.062 6.417 ( 0.000 0.653 0.837) 1.062 6.446 ( 0.000 -1.513 -0.496) 1.593 6.446 ( 0.000 1.513 -0.496) 1.593 7.423 ( 0.000 -0.243 -0.437) 0.500 7.423 ( 0.000 0.243 -0.437) 0.500 7.474 ( 0.000 -0.440 -0.980) 1.074 7.474 ( 0.000 0.440 -0.980) 1.074 7.565 ( 0.000 -0.167 -0.837) 0.854 7.565 ( 0.000 0.167 -0.837) 0.854 7.584 ( 0.000 -0.211 0.642) 0.676 7.584 ( 0.000 0.211 0.642) 0.676 8.181 ( 0.000 -0.639 -0.084) 0.644 8.181 ( 0.000 0.639 -0.084) 0.644 8.299 ( 0.000 -0.707 -0.111) 0.715 8.299 ( 0.000 0.707 -0.111) 0.715 12.116 ( 0.000 -0.184 0.017) 0.185 12.116 ( 0.000 0.184 0.017) 0.185 12.128 ( 0.000 -0.090 0.063) 0.110 12.128 ( 0.000 0.090 0.063) 0.110 15.884 ( 0.000 -1.762 -1.216) 2.140 15.884 ( 0.000 1.762 -1.216) 2.140 16.011 ( 0.000 -1.236 -1.740) 2.134 16.011 ( 0.000 1.236 -1.740) 2.134 16.075 ( 0.000 -0.149 -1.708) 1.714 16.075 ( 0.000 0.149 -1.708) 1.714 16.225 ( 0.000 -1.287 -1.206) 1.764 16.225 ( 0.000 1.287 -1.206) 1.764 16.523 ( 0.000 -1.554 1.596) 2.227 16.523 ( 0.000 1.554 1.596) 2.227 16.690 ( 0.000 -1.121 3.245) 3.433 16.690 ( 0.000 1.121 3.245) 3.433 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 1.535 -2.646 1.815) 3.557 0.946 ( 1.535 2.646 1.815) 3.557 0.987 ( -0.030 -0.700 0.739) 1.018 0.987 ( -0.030 0.700 0.739) 1.018 1.059 ( 0.398 -0.907 -1.629) 1.906 1.059 ( 0.398 0.907 -1.629) 1.906 1.106 ( -1.598 -2.290 -1.155) 3.022 1.106 ( -1.598 2.290 -1.155) 3.022 1.272 ( 1.458 -2.622 2.508) 3.910 1.272 ( 1.458 2.622 2.508) 3.910 1.336 ( -0.461 -2.061 3.572) 4.150 1.336 ( -0.461 2.061 3.572) 4.150 1.536 ( 2.248 -2.621 -1.232) 3.666 1.536 ( 2.248 2.621 -1.232) 3.666 1.609 ( -1.002 -3.192 -3.313) 4.709 1.609 ( -1.002 3.192 -3.313) 4.709 1.948 ( 2.886 -4.638 -2.954) 6.210 1.948 ( 2.886 4.638 -2.954) 6.210 2.088 ( -3.290 -3.908 0.059) 5.109 2.088 ( -3.290 3.908 0.059) 5.109 2.408 ( 0.642 -3.204 0.035) 3.268 2.408 ( 0.642 3.204 0.035) 3.268 2.518 ( -5.312 -4.556 -4.323) 8.226 2.518 ( -5.312 4.556 -4.323) 8.226 2.709 ( 2.858 -2.431 3.730) 5.291 2.709 ( 2.858 2.431 3.730) 5.291 2.803 ( -0.411 -1.170 2.110) 2.447 2.803 ( -0.411 1.170 2.110) 2.447 3.025 ( 1.982 -0.902 2.917) 3.640 3.025 ( 1.982 0.902 2.917) 3.640 3.058 ( 3.739 -2.156 -0.551) 4.351 3.058 ( 3.739 2.156 -0.551) 4.351 3.242 ( -0.837 -0.572 -0.133) 1.022 3.242 ( -0.837 0.572 -0.133) 1.022 3.450 ( -9.233 -1.190 0.178) 9.311 3.450 ( -9.233 1.190 0.178) 9.311 4.056 ( 7.033 -2.310 -1.746) 7.606 4.056 ( 7.033 2.310 -1.746) 7.606 4.221 ( -0.827 -1.140 1.338) 1.942 4.221 ( -0.827 1.140 1.338) 1.942 4.610 ( 0.981 -1.895 0.803) 2.280 4.610 ( 0.981 1.895 0.803) 2.280 4.673 ( -1.146 -1.513 -0.660) 2.010 4.673 ( -1.146 1.513 -0.660) 2.010 4.776 ( 1.067 -1.037 -0.263) 1.511 4.776 ( 1.067 1.037 -0.263) 1.511 4.827 ( -1.006 -2.076 -2.296) 3.255 4.827 ( -1.006 2.076 -2.296) 3.255 6.239 ( 0.574 -1.019 -0.095) 1.174 6.239 ( 0.574 1.019 -0.095) 1.174 6.275 ( -0.819 -1.527 0.313) 1.761 6.275 ( -0.819 1.527 0.313) 1.761 6.411 ( -0.326 -0.734 0.624) 1.018 6.411 ( -0.326 0.734 0.624) 1.018 6.434 ( -1.102 -1.461 -0.323) 1.858 6.434 ( -1.102 1.461 -0.323) 1.858 7.436 ( 1.112 -0.322 -0.532) 1.274 7.436 ( 1.112 0.322 -0.532) 1.274 7.474 ( -0.208 -0.456 -1.143) 1.248 7.474 ( -0.208 0.456 -1.143) 1.248 7.565 ( 0.131 -0.177 -0.423) 0.477 7.565 ( 0.131 0.177 -0.423) 0.477 7.581 ( -0.325 -0.293 0.543) 0.697 7.581 ( -0.325 0.293 0.543) 0.697 8.201 ( 1.862 -0.688 -0.104) 1.988 8.201 ( 1.862 0.688 -0.104) 1.988 8.284 ( -1.440 -0.728 -0.118) 1.619 8.284 ( -1.440 0.728 -0.118) 1.619 12.117 ( 0.155 -0.176 0.013) 0.235 12.117 ( 0.155 0.176 0.013) 0.235 12.126 ( -0.182 -0.112 0.045) 0.219 12.126 ( -0.182 0.112 0.045) 0.219 15.905 ( 2.040 -1.800 -1.195) 2.972 15.905 ( 2.040 1.800 -1.195) 2.972 16.011 ( -1.286 -0.812 -0.841) 1.738 16.011 ( -1.286 0.812 -0.841) 1.738 16.073 ( 1.254 -0.867 -2.495) 2.924 16.073 ( 1.254 0.867 -2.495) 2.924 16.198 ( -2.598 -1.149 -1.549) 3.236 16.198 ( -2.598 1.149 -1.549) 3.236 16.551 ( 2.608 -0.968 1.987) 3.418 16.551 ( 2.608 0.968 1.987) 3.418 16.668 ( -2.104 -0.886 3.084) 3.837 16.668 ( -2.104 0.886 3.084) 3.837 ======================= Grid point 114 (45/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.874 -2.048 1.257) 2.557 0.977 ( 0.498 -2.017 1.257) 2.428 0.977 ( -0.498 2.017 1.257) 2.428 0.977 ( 0.874 2.048 1.257) 2.557 1.074 ( -1.074 -2.134 -1.253) 2.698 1.074 ( 0.786 -2.103 -1.253) 2.571 1.074 ( -0.786 2.103 -1.253) 2.571 1.074 ( 1.074 2.134 -1.253) 2.698 1.310 ( -1.842 -2.473 3.254) 4.483 1.310 ( 1.481 -2.412 3.254) 4.312 1.310 ( -1.481 2.412 3.254) 4.312 1.310 ( 1.842 2.473 3.254) 4.483 1.582 ( -1.928 -3.702 -1.525) 4.444 1.582 ( 1.927 -3.702 -1.525) 4.443 1.582 ( -1.927 3.702 -1.525) 4.443 1.582 ( 1.928 3.702 -1.525) 4.444 2.016 ( -3.331 -6.257 -1.926) 7.345 2.016 ( 2.643 -6.174 -1.926) 6.987 2.016 ( -2.643 6.174 -1.926) 6.987 2.016 ( 3.331 6.257 -1.926) 7.345 2.434 ( -2.397 -4.627 -3.149) 6.088 2.434 ( 2.093 -4.590 -3.149) 5.947 2.434 ( -2.093 4.590 -3.149) 5.947 2.434 ( 2.397 4.627 -3.149) 6.088 2.772 ( -2.559 -1.914 3.510) 4.747 2.772 ( 0.853 -1.486 3.510) 3.906 2.772 ( -0.853 1.486 3.510) 3.906 2.772 ( 2.559 1.914 3.510) 4.747 3.078 ( -2.430 -1.954 1.954) 3.680 3.078 ( 2.410 -1.948 1.954) 3.664 3.078 ( -2.410 1.948 1.954) 3.664 3.078 ( 2.430 1.954 1.954) 3.680 3.285 ( -5.446 -2.779 -0.682) 6.152 3.285 ( -2.700 -1.460 -0.682) 3.144 3.285 ( 2.700 1.460 -0.682) 3.144 3.285 ( 5.446 2.779 -0.682) 6.152 4.173 ( -1.979 -4.781 -0.325) 5.185 4.173 ( -1.164 -4.714 -0.325) 4.866 4.173 ( 1.164 4.714 -0.325) 4.866 4.173 ( 1.979 4.781 -0.325) 5.185 4.641 ( -1.359 -2.848 0.315) 3.171 4.641 ( 0.439 -2.774 0.315) 2.826 4.641 ( -0.439 2.774 0.315) 2.826 4.641 ( 1.359 2.848 0.315) 3.171 4.802 ( -1.326 -1.563 -1.381) 2.471 4.802 ( 0.915 -1.488 -1.381) 2.227 4.802 ( -0.915 1.488 -1.381) 2.227 4.802 ( 1.326 1.563 -1.381) 2.471 6.255 ( -0.898 -1.667 0.089) 1.896 6.255 ( 0.624 -1.636 0.089) 1.753 6.255 ( -0.624 1.636 0.089) 1.753 6.255 ( 0.898 1.667 0.089) 1.896 6.413 ( -0.660 -1.186 0.132) 1.364 6.413 ( 0.653 -1.185 0.132) 1.359 6.413 ( -0.653 1.185 0.132) 1.359 6.413 ( 0.660 1.186 0.132) 1.364 7.460 ( -1.073 -0.469 -0.946) 1.505 7.460 ( -0.522 -0.025 -0.946) 1.080 7.460 ( 0.522 0.025 -0.946) 1.080 7.460 ( 1.073 0.469 -0.946) 1.505 7.572 ( -0.348 -0.640 0.196) 0.754 7.572 ( 0.069 -0.617 0.196) 0.651 7.572 ( -0.069 0.617 0.196) 0.651 7.572 ( 0.348 0.640 0.196) 0.754 8.245 ( -2.307 -0.744 -0.125) 2.427 8.245 ( -2.307 0.744 -0.125) 2.427 8.245 ( 2.307 -0.744 -0.125) 2.427 8.245 ( 2.307 0.744 -0.125) 2.427 12.122 ( -0.141 -0.387 0.018) 0.412 12.122 ( 0.020 -0.381 0.018) 0.382 12.122 ( -0.020 0.381 0.018) 0.382 12.122 ( 0.141 0.387 0.018) 0.412 15.959 ( -2.957 -1.899 -1.000) 3.653 15.959 ( 0.314 -1.202 -1.000) 1.594 15.959 ( -0.314 1.202 -1.000) 1.594 15.959 ( 2.957 1.899 -1.000) 3.653 16.131 ( -3.504 -1.569 -2.123) 4.387 16.131 ( -1.758 -0.407 -2.123) 2.787 16.131 ( 1.758 0.407 -2.123) 2.787 16.131 ( 3.504 1.569 -2.123) 4.387 16.613 ( -1.618 -3.225 2.628) 4.464 16.613 ( -1.047 -3.165 2.628) 4.245 16.613 ( 1.047 3.165 2.628) 4.245 16.613 ( 1.618 3.225 2.628) 4.464 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 0.000 -3.155) 3.155 0.686 ( 0.000 0.000 3.155) 3.155 0.730 ( 0.000 0.000 -6.053) 6.053 0.730 ( 0.000 0.000 6.053) 6.053 0.743 ( 0.000 0.000 -3.030) 3.030 0.743 ( 0.000 0.000 3.030) 3.030 0.999 ( 0.000 0.000 -9.423) 9.423 0.999 ( 0.000 0.000 9.423) 9.423 1.207 ( 0.000 0.000 -12.720) 12.720 1.207 ( 0.000 0.000 12.720) 12.720 1.342 ( 0.000 0.000 -2.867) 2.867 1.342 ( 0.000 0.000 2.867) 2.867 1.481 ( 0.000 0.000 -3.573) 3.573 1.481 ( 0.000 0.000 3.573) 3.573 1.521 ( 0.000 0.000 -6.598) 6.598 1.521 ( 0.000 0.000 6.598) 6.598 1.686 ( 0.000 0.000 -18.793) 18.793 1.686 ( 0.000 0.000 18.793) 18.793 1.732 ( 0.000 0.000 -18.263) 18.263 1.732 ( 0.000 0.000 18.263) 18.263 1.953 ( 0.000 0.000 -7.997) 7.997 1.953 ( 0.000 0.000 7.997) 7.997 2.295 ( 0.000 0.000 -3.450) 3.450 2.295 ( 0.000 0.000 3.450) 3.450 2.316 ( 0.000 0.000 -3.400) 3.400 2.316 ( 0.000 0.000 3.400) 3.400 2.846 ( 0.000 0.000 -2.951) 2.951 2.846 ( 0.000 0.000 2.951) 2.951 2.851 ( 0.000 0.000 -8.973) 8.973 2.851 ( 0.000 0.000 8.973) 8.973 2.949 ( 0.000 0.000 -2.258) 2.258 2.949 ( 0.000 0.000 2.258) 2.258 3.263 ( 0.000 0.000 -1.549) 1.549 3.263 ( 0.000 0.000 1.549) 1.549 3.887 ( 0.000 0.000 -0.353) 0.353 3.887 ( 0.000 0.000 0.353) 0.353 3.899 ( 0.000 0.000 -4.503) 4.503 3.899 ( 0.000 0.000 4.503) 4.503 4.061 ( 0.000 0.000 -3.698) 3.698 4.061 ( 0.000 0.000 3.698) 3.698 4.137 ( 0.000 0.000 -0.571) 0.571 4.137 ( 0.000 0.000 0.571) 0.571 4.454 ( 0.000 0.000 -1.177) 1.177 4.454 ( 0.000 0.000 1.177) 1.177 4.717 ( 0.000 0.000 -0.291) 0.291 4.717 ( 0.000 0.000 0.291) 0.291 4.968 ( 0.000 0.000 -0.876) 0.876 4.968 ( 0.000 0.000 0.876) 0.876 5.836 ( 0.000 0.000 -2.363) 2.363 5.836 ( 0.000 0.000 2.363) 2.363 5.860 ( 0.000 0.000 -3.759) 3.759 5.860 ( 0.000 0.000 3.759) 3.759 6.634 ( 0.000 0.000 -1.147) 1.147 6.634 ( 0.000 0.000 1.147) 1.147 6.696 ( 0.000 0.000 -0.267) 0.267 6.696 ( 0.000 0.000 0.267) 0.267 7.096 ( 0.000 0.000 -0.041) 0.041 7.096 ( 0.000 0.000 0.041) 0.041 7.106 ( 0.000 0.000 -0.595) 0.595 7.106 ( 0.000 0.000 0.595) 0.595 7.708 ( 0.000 0.000 -0.250) 0.250 7.708 ( 0.000 0.000 0.250) 0.250 7.804 ( 0.000 0.000 -0.469) 0.469 7.804 ( 0.000 0.000 0.469) 0.469 8.488 ( 0.000 0.000 -1.629) 1.629 8.488 ( 0.000 0.000 1.629) 1.629 8.605 ( 0.000 0.000 -1.555) 1.555 8.605 ( 0.000 0.000 1.555) 1.555 12.196 ( 0.000 0.000 -0.150) 0.150 12.196 ( 0.000 0.000 0.150) 0.150 12.229 ( 0.000 0.000 -0.235) 0.235 12.229 ( 0.000 0.000 0.235) 0.235 15.705 ( 0.000 0.000 -0.698) 0.698 15.705 ( 0.000 0.000 0.698) 0.698 15.753 ( 0.000 0.000 -0.664) 0.664 15.753 ( 0.000 0.000 0.664) 0.664 16.191 ( 0.000 0.000 -1.578) 1.578 16.191 ( 0.000 0.000 1.578) 1.578 16.259 ( 0.000 0.000 -0.039) 0.039 16.259 ( 0.000 0.000 0.039) 0.039 16.714 ( 0.000 0.000 -1.958) 1.958 16.714 ( 0.000 0.000 1.958) 1.958 17.118 ( 0.000 0.000 -4.662) 4.662 17.118 ( 0.000 0.000 4.662) 4.662 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 1.424 0.000 -5.112) 5.307 0.694 ( 1.424 0.000 5.112) 5.307 0.731 ( 0.104 0.000 -4.938) 4.939 0.731 ( 0.104 0.000 4.938) 4.939 0.742 ( -0.152 0.000 -2.230) 2.235 0.742 ( -0.152 0.000 2.230) 2.235 0.921 ( -7.159 0.000 -12.276) 14.211 0.921 ( -7.159 0.000 12.276) 14.211 1.202 ( -0.410 0.000 -8.874) 8.884 1.202 ( -0.410 0.000 8.874) 8.884 1.293 ( -2.704 0.000 -2.308) 3.555 1.293 ( -2.704 0.000 2.308) 3.555 1.473 ( 1.405 0.000 -2.695) 3.039 1.473 ( 1.405 0.000 2.695) 3.039 1.555 ( 0.069 0.000 -2.830) 2.831 1.555 ( 0.069 0.000 2.830) 2.831 1.693 ( 0.652 0.000 -17.601) 17.613 1.693 ( 0.652 0.000 17.601) 17.613 1.728 ( -0.425 0.000 -17.297) 17.303 1.728 ( -0.425 0.000 17.297) 17.303 1.943 ( -2.159 0.000 -5.195) 5.625 1.943 ( -2.159 0.000 5.195) 5.625 2.302 ( 0.560 0.000 -2.409) 2.473 2.302 ( 0.560 0.000 2.409) 2.473 2.401 ( 9.627 0.000 -9.613) 13.605 2.401 ( 9.627 0.000 9.613) 13.605 2.838 ( -0.623 0.000 -2.008) 2.102 2.838 ( -0.623 0.000 2.008) 2.102 2.879 ( 0.460 0.000 -11.296) 11.305 2.879 ( 0.460 0.000 11.296) 11.305 2.951 ( 0.128 0.000 -1.493) 1.499 2.951 ( 0.128 0.000 1.493) 1.499 3.274 ( 0.881 0.000 -1.379) 1.636 3.274 ( 0.881 0.000 1.379) 1.636 3.707 ( -11.615 0.000 -1.261) 11.683 3.707 ( -11.615 0.000 1.261) 11.683 3.890 ( 0.223 0.000 -0.250) 0.335 3.890 ( 0.223 0.000 0.250) 0.335 4.110 ( 0.440 0.000 -1.743) 1.798 4.110 ( 0.440 0.000 1.743) 1.798 4.135 ( -0.159 0.000 -0.410) 0.440 4.135 ( -0.159 0.000 0.410) 0.440 4.519 ( 4.681 0.000 -1.909) 5.056 4.519 ( 4.681 0.000 1.909) 5.056 4.708 ( -0.240 0.000 -0.580) 0.627 4.708 ( -0.240 0.000 0.580) 0.627 4.989 ( 1.430 0.000 -0.937) 1.710 4.989 ( 1.430 0.000 0.937) 1.710 5.839 ( 0.326 0.000 -2.560) 2.580 5.839 ( 0.326 0.000 2.560) 2.580 5.856 ( -0.321 0.000 -3.537) 3.552 5.856 ( -0.321 0.000 3.537) 3.552 6.624 ( -0.753 0.000 -1.036) 1.281 6.624 ( -0.753 0.000 1.036) 1.281 6.692 ( -0.324 0.000 -0.121) 0.346 6.692 ( -0.324 0.000 0.121) 0.346 7.097 ( 0.012 0.000 -0.044) 0.046 7.097 ( 0.012 0.000 0.044) 0.046 7.106 ( 0.002 0.000 -0.425) 0.425 7.106 ( 0.002 0.000 0.425) 0.425 7.724 ( 1.477 0.000 -0.712) 1.640 7.724 ( 1.477 0.000 0.712) 1.640 7.796 ( -0.800 0.000 -1.323) 1.546 7.796 ( -0.800 0.000 1.323) 1.546 8.506 ( 1.544 0.000 -1.766) 2.346 8.506 ( 1.544 0.000 1.766) 2.346 8.595 ( -0.939 0.000 -1.613) 1.867 8.595 ( -0.939 0.000 1.613) 1.867 12.197 ( 0.128 0.000 -0.131) 0.183 12.197 ( 0.128 0.000 0.131) 0.183 12.228 ( -0.105 0.000 -0.187) 0.214 12.228 ( -0.105 0.000 0.187) 0.214 15.709 ( 0.355 0.000 -0.592) 0.690 15.709 ( 0.355 0.000 0.592) 0.690 15.749 ( -0.359 0.000 -0.568) 0.671 15.749 ( -0.359 0.000 0.568) 0.671 16.197 ( 0.583 0.000 -1.656) 1.755 16.197 ( 0.583 0.000 1.656) 1.755 16.245 ( -1.214 0.000 -0.531) 1.325 16.245 ( -1.214 0.000 0.531) 1.325 16.727 ( 1.014 0.000 -1.476) 1.790 16.727 ( 1.014 0.000 1.476) 1.790 17.107 ( -0.882 0.000 -3.314) 3.430 17.107 ( -0.882 0.000 3.314) 3.430 ======================= Grid point 139 (48/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 0.000 -0.000) 0.000 0.733 ( -0.000 0.000 -0.000) 0.000 0.739 ( 0.000 0.000 0.000) 0.000 0.739 ( -0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 -0.000) 0.000 0.762 ( -0.000 0.000 -0.000) 0.000 0.780 ( 0.000 0.000 0.000) 0.000 0.780 ( -0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.511 ( -0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.531 ( -0.000 0.000 -0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 -0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 -0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.843 ( -0.000 0.000 -0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 5.004 ( -0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 -0.000) 0.000 5.846 ( 0.000 0.000 -0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 -0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.778 ( -0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.744 ( 0.000 0.000 0.000) 0.000 15.744 ( 0.000 0.000 0.000) 0.000 16.210 ( -0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 16.224 ( 0.000 0.000 0.000) 0.000 16.224 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 145 (49/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 3.127 -3.649) 4.805 0.713 ( 0.000 3.127 3.649) 4.805 0.769 ( 0.000 3.735 -4.592) 5.919 0.769 ( 0.000 3.735 4.592) 5.919 0.821 ( 0.000 5.938 -2.565) 6.468 0.821 ( 0.000 5.938 2.565) 6.468 1.012 ( 0.000 1.467 -8.471) 8.597 1.012 ( 0.000 1.467 8.471) 8.597 1.319 ( 0.000 -0.026 -3.368) 3.368 1.319 ( 0.000 -0.026 3.368) 3.368 1.424 ( 0.000 -1.008 -9.031) 9.087 1.424 ( 0.000 -1.008 9.031) 9.087 1.440 ( 0.000 13.023 -8.479) 15.540 1.440 ( 0.000 13.023 8.479) 15.540 1.469 ( 0.000 -1.152 -0.052) 1.153 1.469 ( 0.000 -1.152 0.052) 1.153 1.702 ( 0.000 0.451 -7.473) 7.487 1.702 ( 0.000 0.451 7.473) 7.487 1.820 ( 0.000 7.988 -11.408) 13.927 1.820 ( 0.000 7.988 11.408) 13.927 2.074 ( 0.000 9.402 -10.416) 14.032 2.074 ( 0.000 9.402 10.416) 14.032 2.351 ( 0.000 5.274 -7.907) 9.504 2.351 ( 0.000 5.274 7.907) 9.504 2.409 ( 0.000 9.104 -0.975) 9.156 2.409 ( 0.000 9.104 0.975) 9.156 2.786 ( 0.000 -4.080 -5.511) 6.857 2.786 ( 0.000 -4.080 5.511) 6.857 2.879 ( 0.000 1.639 -1.113) 1.982 2.879 ( 0.000 1.639 1.113) 1.982 2.964 ( 0.000 1.463 -1.426) 2.043 2.964 ( 0.000 1.463 1.426) 2.043 3.239 ( 0.000 -2.214 -0.858) 2.375 3.239 ( 0.000 -2.214 0.858) 2.375 3.813 ( 0.000 -5.638 -1.561) 5.850 3.813 ( 0.000 -5.638 1.561) 5.850 3.969 ( 0.000 3.561 -4.239) 5.536 3.969 ( 0.000 3.561 4.239) 5.536 4.075 ( 0.000 4.579 -2.012) 5.002 4.075 ( 0.000 4.579 2.012) 5.002 4.246 ( 0.000 9.294 -1.351) 9.391 4.246 ( 0.000 9.294 1.351) 9.391 4.432 ( 0.000 -2.384 -0.621) 2.463 4.432 ( 0.000 -2.384 0.621) 2.463 4.681 ( 0.000 -2.810 -0.823) 2.928 4.681 ( 0.000 -2.810 0.823) 2.928 4.938 ( 0.000 -2.866 -0.853) 2.991 4.938 ( 0.000 -2.866 0.853) 2.991 5.897 ( 0.000 5.839 -2.004) 6.173 5.897 ( 0.000 5.839 2.004) 6.173 5.933 ( 0.000 7.013 -3.587) 7.877 5.933 ( 0.000 7.013 3.587) 7.877 6.613 ( 0.000 -2.126 -0.960) 2.332 6.613 ( 0.000 -2.126 0.960) 2.332 6.657 ( 0.000 -3.738 -0.169) 3.742 6.657 ( 0.000 -3.738 0.169) 3.742 7.149 ( 0.000 5.009 -0.082) 5.010 7.149 ( 0.000 5.009 0.082) 5.010 7.159 ( 0.000 5.268 -0.115) 5.269 7.159 ( 0.000 5.268 0.115) 5.269 7.683 ( 0.000 -2.407 -0.155) 2.412 7.683 ( 0.000 -2.407 0.155) 2.412 7.768 ( 0.000 -3.427 -0.089) 3.429 7.768 ( 0.000 -3.428 0.089) 3.429 8.447 ( 0.000 -4.078 -1.542) 4.360 8.447 ( 0.000 -4.078 1.542) 4.360 8.560 ( 0.000 -4.403 -1.583) 4.679 8.560 ( 0.000 -4.403 1.583) 4.679 12.183 ( 0.000 -1.228 -0.167) 1.240 12.183 ( 0.000 -1.228 0.167) 1.240 12.215 ( 0.000 -1.340 -0.232) 1.360 12.215 ( 0.000 -1.340 0.232) 1.360 15.734 ( 0.000 2.790 -0.053) 2.791 15.734 ( 0.000 2.790 0.053) 2.791 15.800 ( 0.000 4.524 -0.169) 4.527 15.800 ( 0.000 4.524 0.169) 4.527 16.176 ( 0.000 -1.795 -2.107) 2.768 16.176 ( 0.000 -1.795 2.107) 2.768 16.243 ( 0.000 -1.272 -0.401) 1.334 16.243 ( 0.000 -1.272 0.401) 1.334 16.688 ( 0.000 -2.546 -1.733) 3.080 16.688 ( 0.000 -2.546 1.733) 3.080 17.053 ( 0.000 -6.343 -3.972) 7.484 17.053 ( 0.000 -6.343 3.972) 7.484 ======================= Grid point 147 (50/60) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.356 2.845 -4.231) 5.111 0.713 ( 0.356 2.845 4.231) 5.111 0.771 ( -0.079 3.690 -4.923) 6.154 0.771 ( -0.079 3.690 4.923) 6.154 0.824 ( 0.394 6.066 -3.398) 6.964 0.824 ( 0.394 6.066 3.398) 6.964 0.948 ( -5.461 3.086 -9.224) 11.154 0.948 ( -5.461 3.086 9.224) 11.154 1.266 ( -2.486 -1.245 -2.401) 3.673 1.266 ( -2.486 -1.245 2.401) 3.673 1.417 ( -0.803 10.935 -5.803) 12.406 1.417 ( -0.803 10.935 5.803) 12.406 1.458 ( 1.654 3.078 -1.604) 3.845 1.458 ( 1.654 3.078 1.604) 3.845 1.507 ( 1.421 -0.935 -3.016) 3.463 1.507 ( 1.421 -0.935 3.016) 3.463 1.718 ( 0.563 1.459 -9.243) 9.374 1.718 ( 0.563 1.459 9.243) 9.374 1.799 ( -1.344 6.928 -10.225) 12.423 1.799 ( -1.344 6.928 10.225) 12.423 2.051 ( -1.923 8.548 -7.609) 11.604 2.051 ( -1.923 8.548 7.609) 11.604 2.364 ( 0.276 4.647 -1.137) 4.792 2.364 ( 0.276 4.647 1.137) 4.792 2.470 ( 7.388 7.593 -8.213) 13.404 2.470 ( 7.388 7.593 8.213) 13.404 2.803 ( 0.198 -3.025 -3.962) 4.988 2.803 ( 0.198 -3.025 3.962) 4.988 2.892 ( 0.865 1.502 -4.900) 5.198 2.892 ( 0.865 1.502 4.900) 5.198 2.973 ( 0.698 2.215 -1.312) 2.667 2.973 ( 0.698 2.215 1.312) 2.667 3.247 ( 0.755 -2.436 -1.152) 2.798 3.247 ( 0.755 -2.436 1.152) 2.798 3.656 ( -10.830 -4.371 -1.380) 11.760 3.656 ( -10.830 -4.371 1.380) 11.760 3.966 ( -0.622 5.045 -2.256) 5.561 3.966 ( -0.622 5.045 2.256) 5.561 4.107 ( 2.022 3.621 -1.362) 4.365 4.107 ( 2.022 3.621 1.362) 4.365 4.233 ( -1.579 7.692 -1.029) 7.920 4.233 ( -1.579 7.692 1.029) 7.920 4.501 ( 5.000 -1.930 -2.024) 5.729 4.501 ( 5.000 -1.930 2.024) 5.729 4.673 ( -0.334 -2.656 -1.071) 2.884 4.673 ( -0.334 -2.656 1.071) 2.884 4.953 ( 1.032 -3.446 -0.611) 3.649 4.953 ( 1.032 -3.446 0.611) 3.649 5.901 ( 0.399 5.866 -2.177) 6.270 5.901 ( 0.399 5.866 2.177) 6.270 5.927 ( -0.532 6.846 -3.268) 7.604 5.927 ( -0.532 6.846 3.268) 7.604 6.603 ( -0.777 -2.145 -0.846) 2.433 6.603 ( -0.777 -2.145 0.846) 2.433 6.653 ( -0.336 -3.757 -0.192) 3.777 6.653 ( -0.336 -3.757 0.192) 3.777 7.150 ( 0.099 5.141 -0.127) 5.144 7.150 ( 0.099 5.141 0.127) 5.144 7.159 ( -0.001 5.234 -0.176) 5.237 7.159 ( -0.001 5.234 0.176) 5.237 7.698 ( 1.284 -2.589 -0.640) 2.959 7.698 ( 1.284 -2.589 0.640) 2.959 7.763 ( -0.586 -3.245 -1.063) 3.465 7.763 ( -0.586 -3.245 1.063) 3.465 8.466 ( 1.626 -4.037 -1.689) 4.669 8.466 ( 1.626 -4.037 1.689) 4.669 8.549 ( -1.049 -4.488 -1.642) 4.893 8.549 ( -1.049 -4.488 1.642) 4.893 12.185 ( 0.127 -1.231 -0.143) 1.246 12.185 ( 0.127 -1.231 0.143) 1.246 12.214 ( -0.119 -1.355 -0.186) 1.372 12.214 ( -0.119 -1.355 0.186) 1.372 15.740 ( 0.539 3.001 -0.094) 3.050 15.740 ( 0.539 3.001 0.094) 3.050 15.794 ( -0.595 4.246 -0.164) 4.290 15.794 ( -0.595 4.246 0.164) 4.290 16.183 ( 0.593 -1.670 -1.942) 2.629 16.183 ( 0.593 -1.670 1.942) 2.629 16.235 ( -0.764 -0.839 -0.519) 1.248 16.235 ( -0.764 -0.839 0.519) 1.248 16.695 ( 0.558 -3.080 -1.292) 3.386 16.695 ( 0.558 -3.080 1.292) 3.386 17.043 ( -0.767 -6.212 -2.827) 6.868 17.043 ( -0.767 -6.212 2.827) 6.868 ======================= Grid point 149 (51/60) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 1.104 -0.000) 1.104 0.731 ( -0.000 1.104 -0.000) 1.104 0.759 ( -0.000 4.071 0.000) 4.071 0.759 ( 0.000 4.071 0.000) 4.071 0.850 ( -0.000 6.861 -0.000) 6.861 0.850 ( 0.000 6.861 -0.000) 6.861 0.855 ( -0.000 5.140 0.000) 5.140 0.855 ( 0.000 5.140 0.000) 5.140 1.243 ( 0.000 -1.587 -0.000) 1.587 1.243 ( 0.000 -1.587 -0.000) 1.587 1.405 ( 0.000 12.993 0.000) 12.993 1.405 ( 0.000 12.993 0.000) 12.993 1.495 ( -0.000 -1.067 -0.000) 1.067 1.495 ( 0.000 -1.067 -0.000) 1.067 1.502 ( -0.000 2.398 0.000) 2.398 1.502 ( 0.000 2.398 0.000) 2.398 1.713 ( 0.000 1.026 -0.000) 1.026 1.713 ( -0.000 1.026 -0.000) 1.026 1.790 ( 0.000 6.939 0.000) 6.939 1.790 ( 0.000 6.939 0.000) 6.939 2.028 ( 0.000 9.291 0.000) 9.291 2.028 ( -0.000 9.291 0.000) 9.291 2.366 ( 0.000 4.086 0.000) 4.086 2.366 ( 0.000 4.086 0.000) 4.086 2.595 ( 0.000 3.395 -0.000) 3.395 2.595 ( 0.000 3.395 0.000) 3.395 2.791 ( 0.000 -2.100 0.000) 2.100 2.791 ( -0.000 -2.100 0.000) 2.100 2.892 ( -0.000 3.504 -0.000) 3.504 2.892 ( 0.000 3.504 0.000) 3.504 2.980 ( -0.000 2.866 0.000) 2.866 2.980 ( 0.000 2.866 0.000) 2.866 3.259 ( 0.000 -2.472 0.000) 2.472 3.259 ( 0.000 -2.472 0.000) 2.472 3.526 ( -0.000 -4.633 0.000) 4.633 3.526 ( 0.000 -4.633 0.000) 4.633 3.956 ( 0.000 4.945 0.000) 4.945 3.956 ( 0.000 4.945 0.000) 4.945 4.135 ( 0.000 4.621 0.000) 4.621 4.135 ( 0.000 4.621 0.000) 4.621 4.206 ( -0.000 6.971 -0.000) 6.971 4.206 ( 0.000 6.971 0.000) 6.971 4.557 ( 0.000 -1.493 0.000) 1.493 4.557 ( 0.000 -1.493 0.000) 1.493 4.674 ( 0.000 -3.030 0.000) 3.030 4.674 ( 0.000 -3.030 0.000) 3.030 4.964 ( -0.000 -3.868 0.000) 3.868 4.964 ( 0.000 -3.868 0.000) 3.868 5.909 ( -0.000 5.747 -0.000) 5.747 5.909 ( 0.000 5.747 -0.000) 5.747 5.918 ( -0.000 6.824 0.000) 6.824 5.918 ( 0.000 6.824 0.000) 6.824 6.594 ( 0.000 -2.153 0.000) 2.153 6.594 ( 0.000 -2.153 0.000) 2.153 6.648 ( 0.000 -3.791 0.000) 3.791 6.648 ( 0.000 -3.791 0.000) 3.791 7.151 ( -0.000 5.284 -0.000) 5.284 7.151 ( 0.000 5.284 0.000) 5.284 7.159 ( 0.000 5.185 -0.000) 5.185 7.159 ( 0.000 5.185 0.000) 5.185 7.719 ( -0.000 -3.019 0.000) 3.019 7.719 ( 0.000 -3.019 -0.000) 3.019 7.750 ( -0.000 -2.807 0.000) 2.807 7.750 ( 0.000 -2.807 0.000) 2.807 8.493 ( -0.000 -3.734 0.000) 3.734 8.493 ( 0.000 -3.734 0.000) 3.734 8.529 ( 0.000 -4.830 0.000) 4.830 8.529 ( 0.000 -4.830 0.000) 4.830 12.186 ( 0.000 -1.232 0.000) 1.232 12.186 ( 0.000 -1.232 0.000) 1.232 12.212 ( 0.000 -1.371 0.000) 1.371 12.212 ( 0.000 -1.371 0.000) 1.371 15.748 ( 0.000 3.343 0.000) 3.343 15.748 ( 0.000 3.343 0.000) 3.343 15.785 ( 0.000 3.833 0.000) 3.833 15.785 ( 0.000 3.833 0.000) 3.833 16.192 ( -0.000 -1.735 0.000) 1.735 16.192 ( 0.000 -1.735 0.000) 1.735 16.223 ( -0.000 -0.237 0.000) 0.237 16.223 ( 0.000 -0.237 0.000) 0.237 16.702 ( 0.000 -3.605 0.000) 3.605 16.702 ( 0.000 -3.605 0.000) 3.605 17.033 ( 0.000 -6.071 0.000) 6.071 17.033 ( 0.000 -6.071 0.000) 6.071 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 5.680 -4.853) 7.471 0.802 ( 0.000 5.680 4.853) 7.471 0.859 ( 0.000 5.272 -2.879) 6.007 0.859 ( 0.000 5.272 2.879) 6.007 0.928 ( 0.000 4.872 -2.201) 5.347 0.928 ( 0.000 4.872 2.201) 5.347 1.053 ( 0.000 2.600 -5.948) 6.492 1.053 ( 0.000 2.600 5.948) 6.492 1.309 ( 0.000 -1.728 -1.936) 2.595 1.309 ( 0.000 -1.728 1.936) 2.595 1.359 ( 0.000 0.040 -9.273) 9.273 1.359 ( 0.000 0.040 9.273) 9.273 1.455 ( 0.000 -0.280 -0.566) 0.631 1.455 ( 0.000 -0.280 0.566) 0.631 1.630 ( 0.000 -0.525 -0.749) 0.914 1.630 ( 0.000 -0.525 0.749) 0.914 1.782 ( 0.000 7.386 -7.261) 10.357 1.782 ( 0.000 7.386 7.261) 10.357 2.050 ( 0.000 15.268 -0.243) 15.270 2.050 ( 0.000 15.268 0.243) 15.270 2.194 ( 0.000 2.980 -8.955) 9.437 2.194 ( 0.000 2.980 8.955) 9.437 2.507 ( 0.000 8.448 -11.416) 14.202 2.507 ( 0.000 8.448 11.416) 14.202 2.555 ( 0.000 4.380 -0.063) 4.381 2.555 ( 0.000 4.380 0.063) 4.381 2.738 ( 0.000 0.577 -3.722) 3.767 2.738 ( 0.000 0.577 3.722) 3.767 2.923 ( 0.000 3.092 -2.753) 4.140 2.923 ( 0.000 3.092 2.753) 4.140 2.998 ( 0.000 1.700 -0.024) 1.701 2.998 ( 0.000 1.700 0.024) 1.701 3.204 ( 0.000 -0.561 -0.389) 0.683 3.204 ( 0.000 -0.561 0.389) 0.683 3.703 ( 0.000 -5.456 -1.149) 5.576 3.703 ( 0.000 -5.456 1.149) 5.576 3.969 ( 0.000 -1.507 -5.730) 5.925 3.969 ( 0.000 -1.507 5.730) 5.925 4.280 ( 0.000 12.791 -0.733) 12.812 4.280 ( 0.000 12.791 0.733) 12.812 4.362 ( 0.000 -2.265 -0.556) 2.332 4.362 ( 0.000 -2.265 0.556) 2.332 4.453 ( 0.000 10.129 -1.658) 10.264 4.453 ( 0.000 10.129 1.658) 10.264 4.649 ( 0.000 0.243 -2.608) 2.619 4.649 ( 0.000 0.243 2.608) 2.619 4.870 ( 0.000 -3.794 -0.800) 3.878 4.870 ( 0.000 -3.794 0.800) 3.878 6.035 ( 0.000 7.883 -1.406) 8.007 6.035 ( 0.000 7.883 1.406) 8.007 6.090 ( 0.000 8.416 -2.727) 8.847 6.090 ( 0.000 8.416 2.727) 8.847 6.554 ( 0.000 -4.244 -0.186) 4.248 6.554 ( 0.000 -4.244 0.186) 4.248 6.570 ( 0.000 -4.702 -0.622) 4.743 6.570 ( 0.000 -4.702 0.622) 4.743 7.266 ( 0.000 6.621 -0.223) 6.625 7.266 ( 0.000 6.621 0.223) 6.625 7.286 ( 0.000 7.303 -0.184) 7.305 7.286 ( 0.000 7.303 0.184) 7.305 7.626 ( 0.000 -3.254 -0.001) 3.254 7.626 ( 0.000 -3.254 0.001) 3.254 7.689 ( 0.000 -4.316 -0.299) 4.326 7.689 ( 0.000 -4.316 0.299) 4.326 8.344 ( 0.000 -6.213 -1.194) 6.327 8.344 ( 0.000 -6.213 1.194) 6.327 8.453 ( 0.000 -6.216 -1.321) 6.355 8.453 ( 0.000 -6.216 1.321) 6.355 12.154 ( 0.000 -1.672 -0.187) 1.682 12.154 ( 0.000 -1.672 0.187) 1.682 12.182 ( 0.000 -1.999 -0.205) 2.009 12.182 ( 0.000 -1.999 0.205) 2.009 15.796 ( 0.000 3.285 -0.977) 3.427 15.796 ( 0.000 3.285 0.977) 3.427 15.904 ( 0.000 5.587 -0.379) 5.600 15.904 ( 0.000 5.587 0.379) 5.600 16.120 ( 0.000 -3.722 -2.138) 4.292 16.120 ( 0.000 -3.722 2.138) 4.292 16.224 ( 0.000 -0.712 -0.036) 0.713 16.224 ( 0.000 -0.712 0.036) 0.713 16.628 ( 0.000 -3.343 -1.365) 3.611 16.628 ( 0.000 -3.343 1.365) 3.611 16.904 ( 0.000 -8.188 -2.745) 8.636 16.904 ( 0.000 -8.188 2.745) 8.636 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.190 5.772 -4.229) 7.158 0.798 ( -0.190 5.772 4.229) 7.158 0.866 ( 0.421 5.613 -3.278) 6.514 0.866 ( 0.421 5.613 3.278) 6.514 0.932 ( 0.523 4.897 -2.494) 5.521 0.932 ( 0.523 4.897 2.494) 5.521 1.022 ( -2.659 3.885 -5.267) 7.064 1.022 ( -2.659 3.885 5.267) 7.064 1.265 ( -2.194 1.472 -1.117) 2.868 1.265 ( -2.194 1.472 1.117) 2.868 1.388 ( 1.313 -2.343 -4.009) 4.825 1.388 ( 1.313 -2.343 4.009) 4.825 1.466 ( 0.952 -0.510 -1.785) 2.086 1.466 ( 0.952 -0.510 1.785) 2.086 1.634 ( -0.049 0.100 -0.675) 0.684 1.634 ( -0.049 0.100 0.675) 0.684 1.837 ( 4.313 7.099 -3.272) 8.928 1.837 ( 4.313 7.099 3.272) 8.928 1.994 ( -4.435 14.359 -0.404) 15.034 1.994 ( -4.435 14.359 0.404) 15.034 2.177 ( -0.844 4.319 -9.092) 10.101 2.177 ( -0.844 4.319 9.092) 10.101 2.449 ( -3.213 3.319 -4.622) 6.535 2.449 ( -3.213 3.319 4.622) 6.535 2.630 ( 4.858 7.026 -6.115) 10.505 2.630 ( 4.858 7.026 6.115) 10.505 2.761 ( 1.041 -0.262 -3.792) 3.941 2.761 ( 1.041 -0.262 3.792) 3.941 2.942 ( 2.014 3.759 -3.729) 5.665 2.942 ( 2.014 3.759 3.729) 5.665 3.026 ( 2.210 2.711 -0.281) 3.509 3.026 ( 2.210 2.711 0.281) 3.509 3.204 ( 0.161 -1.195 -1.158) 1.672 3.204 ( 0.161 -1.195 1.158) 1.672 3.564 ( -10.261 -4.763 -1.524) 11.415 3.564 ( -10.261 -4.763 1.524) 11.415 4.006 ( 1.830 0.609 -2.878) 3.465 4.006 ( 1.830 0.609 2.878) 3.465 4.294 ( 1.270 12.590 -0.909) 12.687 4.294 ( 1.270 12.590 0.909) 12.687 4.356 ( -0.878 1.513 -2.113) 2.743 4.356 ( -0.878 1.513 2.113) 2.743 4.492 ( 3.183 4.880 -1.580) 6.037 4.492 ( 3.183 4.880 1.580) 6.037 4.646 ( -0.211 0.487 -2.013) 2.081 4.646 ( -0.211 0.487 2.013) 2.081 4.873 ( 0.144 -4.438 -0.442) 4.463 4.873 ( 0.144 -4.438 0.442) 4.463 6.039 ( 0.383 7.855 -1.407) 7.989 6.039 ( 0.383 7.855 1.407) 7.989 6.082 ( -0.692 8.371 -2.312) 8.712 6.082 ( -0.692 8.371 2.312) 8.712 6.544 ( -0.641 -3.921 -0.386) 3.991 6.544 ( -0.641 -3.921 0.386) 3.991 6.564 ( -0.542 -5.081 -0.630) 5.148 6.564 ( -0.542 -5.081 0.630) 5.148 7.271 ( 0.388 6.815 -0.344) 6.834 7.271 ( 0.388 6.815 0.344) 6.834 7.285 ( -0.125 7.235 -0.332) 7.244 7.285 ( -0.125 7.235 0.332) 7.244 7.636 ( 0.887 -3.460 -0.476) 3.604 7.636 ( 0.887 -3.460 0.476) 3.604 7.687 ( -0.271 -4.245 -0.663) 4.305 7.687 ( -0.271 -4.245 0.663) 4.305 8.363 ( 1.715 -6.203 -1.310) 6.567 8.363 ( 1.715 -6.203 1.310) 6.567 8.440 ( -1.228 -6.292 -1.369) 6.555 8.440 ( -1.228 -6.292 1.369) 6.555 12.155 ( 0.119 -1.682 -0.155) 1.693 12.155 ( 0.119 -1.682 0.155) 1.693 12.180 ( -0.139 -2.006 -0.166) 2.017 12.180 ( -0.139 -2.006 0.166) 2.017 15.808 ( 1.085 3.632 -0.904) 3.897 15.808 ( 1.085 3.632 0.904) 3.897 15.889 ( -1.292 5.148 -0.487) 5.330 15.889 ( -1.292 5.148 0.487) 5.330 16.133 ( 1.172 -3.226 -1.746) 3.851 16.133 ( 1.172 -3.226 1.746) 3.851 16.218 ( -0.576 -0.966 -0.234) 1.149 16.218 ( -0.576 -0.966 0.234) 1.149 16.627 ( -0.062 -3.381 -0.990) 3.524 16.627 ( -0.062 -3.381 0.990) 3.524 16.897 ( -0.600 -8.182 -1.954) 8.434 16.897 ( -0.600 -8.182 1.954) 8.434 ======================= Grid point 159 (54/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 5.662 -0.000) 5.662 0.798 ( 0.000 5.662 -0.000) 5.662 0.869 ( -0.000 6.263 0.000) 6.263 0.869 ( 0.000 6.263 0.000) 6.263 0.947 ( -0.000 4.200 -0.000) 4.200 0.947 ( 0.000 4.200 -0.000) 4.200 0.981 ( -0.000 5.925 0.000) 5.925 0.981 ( 0.000 5.925 0.000) 5.925 1.243 ( -0.000 2.242 -0.000) 2.242 1.243 ( 0.000 2.242 -0.000) 2.242 1.401 ( -0.000 -2.754 0.000) 2.754 1.401 ( 0.000 -2.754 0.000) 2.754 1.480 ( -0.000 -0.371 0.000) 0.371 1.480 ( 0.000 -0.371 0.000) 0.371 1.627 ( 0.000 0.258 0.000) 0.258 1.627 ( -0.000 0.258 0.000) 0.258 1.905 ( -0.000 4.224 0.000) 4.224 1.905 ( 0.000 4.224 -0.000) 4.224 1.925 ( -0.000 17.434 0.000) 17.434 1.925 ( 0.000 17.434 0.000) 17.434 2.173 ( 0.000 5.037 0.000) 5.037 2.173 ( -0.000 5.037 0.000) 5.037 2.411 ( 0.000 0.841 0.000) 0.841 2.411 ( 0.000 0.841 0.000) 0.841 2.692 ( 0.000 5.433 -0.000) 5.433 2.692 ( 0.000 5.433 0.000) 5.433 2.765 ( 0.000 -0.273 0.000) 0.273 2.765 ( 0.000 -0.273 0.000) 0.273 2.976 ( -0.000 4.914 -0.000) 4.914 2.976 ( 0.000 4.914 -0.000) 4.914 3.055 ( -0.000 4.270 0.000) 4.270 3.055 ( 0.000 4.270 0.000) 4.270 3.212 ( -0.000 -1.740 0.000) 1.740 3.212 ( 0.000 -1.740 0.000) 1.740 3.428 ( -0.000 -4.937 0.000) 4.937 3.428 ( 0.000 -4.937 0.000) 4.937 4.023 ( 0.000 2.433 0.000) 2.433 4.023 ( 0.000 2.433 0.000) 2.433 4.318 ( -0.000 13.257 0.000) 13.257 4.318 ( 0.000 13.257 0.000) 13.257 4.336 ( 0.000 2.950 0.000) 2.950 4.336 ( 0.000 2.950 0.000) 2.950 4.532 ( 0.000 1.589 0.000) 1.589 4.532 ( 0.000 1.589 0.000) 1.589 4.644 ( -0.000 0.666 0.000) 0.666 4.644 ( 0.000 0.666 0.000) 0.666 4.874 ( -0.000 -5.056 0.000) 5.056 4.874 ( 0.000 -5.056 0.000) 5.056 6.046 ( -0.000 7.790 -0.000) 7.790 6.046 ( 0.000 7.790 -0.000) 7.790 6.072 ( -0.000 8.357 0.000) 8.357 6.072 ( 0.000 8.357 0.000) 8.357 6.537 ( 0.000 -3.574 0.000) 3.574 6.537 ( 0.000 -3.574 0.000) 3.574 6.556 ( 0.000 -5.485 -0.000) 5.485 6.556 ( 0.000 -5.485 0.000) 5.485 7.277 ( -0.000 7.160 -0.000) 7.160 7.277 ( 0.000 7.160 -0.000) 7.160 7.282 ( -0.000 7.007 0.000) 7.007 7.282 ( 0.000 7.007 0.000) 7.007 7.649 ( 0.000 -3.795 0.000) 3.795 7.649 ( 0.000 -3.795 0.000) 3.795 7.681 ( -0.000 -4.027 0.000) 4.027 7.681 ( 0.000 -4.027 0.000) 4.027 8.397 ( -0.000 -5.808 0.000) 5.808 8.397 ( 0.000 -5.808 0.000) 5.808 8.413 ( -0.000 -6.752 0.000) 6.752 8.413 ( 0.000 -6.752 0.000) 6.752 12.157 ( 0.000 -1.689 0.000) 1.689 12.157 ( 0.000 -1.689 0.000) 1.689 12.178 ( 0.000 -2.015 0.000) 2.015 12.178 ( 0.000 -2.015 0.000) 2.015 15.827 ( -0.000 4.390 0.000) 4.390 15.827 ( 0.000 4.390 0.000) 4.390 15.868 ( -0.000 4.263 0.000) 4.263 15.868 ( 0.000 4.263 -0.000) 4.263 16.151 ( -0.000 -2.317 0.000) 2.317 16.151 ( 0.000 -2.317 0.000) 2.317 16.208 ( -0.000 -1.611 0.000) 1.611 16.208 ( 0.000 -1.611 0.000) 1.611 16.626 ( 0.000 -3.404 0.000) 3.404 16.626 ( 0.000 -3.404 0.000) 3.404 16.889 ( -0.000 -8.183 0.000) 8.183 16.889 ( 0.000 -8.183 0.000) 8.183 ======================= Grid point 165 (55/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 4.688 -3.274) 5.718 0.908 ( 0.000 4.688 3.274) 5.718 0.955 ( 0.000 4.084 -0.077) 4.084 0.955 ( 0.000 4.084 0.077) 4.084 1.002 ( 0.000 2.742 -1.805) 3.283 1.002 ( 0.000 2.742 1.805) 3.283 1.096 ( 0.000 1.475 -2.503) 2.905 1.096 ( 0.000 1.475 2.503) 2.905 1.282 ( 0.000 -0.241 -2.757) 2.768 1.282 ( 0.000 -0.241 2.757) 2.768 1.378 ( 0.000 0.257 -1.681) 1.700 1.378 ( 0.000 0.257 1.681) 1.700 1.470 ( 0.000 2.130 -2.746) 3.475 1.470 ( 0.000 2.130 2.746) 3.475 1.587 ( 0.000 -2.814 -2.825) 3.987 1.587 ( 0.000 -2.814 2.825) 3.987 1.872 ( 0.000 2.710 -3.729) 4.610 1.872 ( 0.000 2.710 3.729) 4.610 2.166 ( 0.000 -1.634 -1.025) 1.929 2.166 ( 0.000 -1.634 1.025) 1.929 2.338 ( 0.000 9.145 -2.076) 9.378 2.338 ( 0.000 9.145 2.076) 9.378 2.543 ( 0.000 -0.549 -5.864) 5.890 2.543 ( 0.000 -0.549 5.864) 5.890 2.664 ( 0.000 4.628 -2.413) 5.219 2.664 ( 0.000 4.628 2.413) 5.219 2.783 ( 0.000 2.445 -0.552) 2.507 2.783 ( 0.000 2.445 0.552) 2.507 2.975 ( 0.000 1.213 -0.722) 1.412 2.975 ( 0.000 1.213 0.722) 1.412 3.032 ( 0.000 2.452 -2.462) 3.474 3.032 ( 0.000 2.452 2.462) 3.474 3.225 ( 0.000 2.053 -0.115) 2.056 3.225 ( 0.000 2.053 0.115) 2.056 3.616 ( 0.000 -3.264 -0.595) 3.317 3.616 ( 0.000 -3.264 0.595) 3.317 3.940 ( 0.000 -1.356 -4.458) 4.660 3.940 ( 0.000 -1.356 4.458) 4.660 4.278 ( 0.000 -2.841 -0.198) 2.848 4.278 ( 0.000 -2.841 0.198) 2.848 4.555 ( 0.000 10.215 -0.768) 10.244 4.555 ( 0.000 10.215 0.768) 10.244 4.591 ( 0.000 4.439 -1.528) 4.695 4.591 ( 0.000 4.439 1.528) 4.695 4.713 ( 0.000 5.213 -0.570) 5.244 4.713 ( 0.000 5.213 0.570) 5.244 4.809 ( 0.000 -1.836 -0.195) 1.846 4.809 ( 0.000 -1.836 0.195) 1.846 6.172 ( 0.000 5.725 -0.785) 5.779 6.172 ( 0.000 5.725 0.785) 5.779 6.230 ( 0.000 5.627 -1.512) 5.826 6.230 ( 0.000 5.627 1.512) 5.826 6.465 ( 0.000 -3.973 -0.352) 3.988 6.465 ( 0.000 -3.973 0.352) 3.988 6.488 ( 0.000 -3.899 -0.954) 4.015 6.488 ( 0.000 -3.899 0.954) 4.015 7.377 ( 0.000 4.327 -0.242) 4.334 7.377 ( 0.000 4.327 0.242) 4.334 7.412 ( 0.000 5.130 -0.298) 5.138 7.412 ( 0.000 5.130 0.298) 5.138 7.573 ( 0.000 -1.957 -0.025) 1.957 7.573 ( 0.000 -1.957 0.025) 1.957 7.618 ( 0.000 -2.761 -0.213) 2.769 7.618 ( 0.000 -2.761 0.213) 2.769 8.231 ( 0.000 -4.925 -0.622) 4.964 8.231 ( 0.000 -4.925 0.622) 4.964 8.344 ( 0.000 -4.548 -0.730) 4.607 8.344 ( 0.000 -4.548 0.730) 4.607 12.126 ( 0.000 -1.054 -0.138) 1.063 12.126 ( 0.000 -1.054 0.138) 1.063 12.146 ( 0.000 -1.584 -0.122) 1.589 12.146 ( 0.000 -1.584 0.122) 1.589 15.849 ( 0.000 2.052 -1.264) 2.410 15.849 ( 0.000 2.052 1.264) 2.410 15.989 ( 0.000 2.309 -0.165) 2.315 15.989 ( 0.000 2.309 0.165) 2.315 16.058 ( 0.000 -1.683 -0.943) 1.929 16.058 ( 0.000 -1.683 0.943) 1.929 16.214 ( 0.000 -0.281 -0.642) 0.701 16.214 ( 0.000 -0.281 0.642) 0.701 16.568 ( 0.000 -2.661 -1.074) 2.870 16.568 ( 0.000 -2.661 1.074) 2.870 16.772 ( 0.000 -5.007 -1.416) 5.204 16.772 ( 0.000 -5.007 1.416) 5.204 ======================= Grid point 167 (56/60) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.617 5.520 -2.818) 6.228 0.915 ( 0.617 5.520 2.818) 6.228 0.959 ( 0.368 3.698 -0.516) 3.752 0.959 ( 0.368 3.698 0.516) 3.752 1.006 ( 0.333 2.726 -1.396) 3.080 1.006 ( 0.333 2.726 1.396) 3.080 1.078 ( -1.451 1.743 -2.340) 3.258 1.078 ( -1.451 1.743 2.340) 3.258 1.298 ( 1.397 0.992 -2.815) 3.295 1.298 ( 1.397 0.992 2.815) 3.295 1.374 ( -0.584 0.605 -3.575) 3.672 1.374 ( -0.584 0.605 3.575) 3.672 1.475 ( 0.735 1.929 -1.232) 2.404 1.475 ( 0.735 1.929 1.232) 2.404 1.602 ( 0.826 -2.614 -2.377) 3.628 1.602 ( 0.826 -2.614 2.377) 3.628 1.909 ( 3.197 1.917 -3.006) 4.788 1.909 ( 3.197 1.917 3.006) 4.788 2.126 ( -3.235 -0.975 -1.355) 3.641 2.126 ( -3.235 -0.975 1.355) 3.641 2.315 ( -1.730 8.562 -3.783) 9.519 2.315 ( -1.730 8.562 3.783) 9.519 2.472 ( -4.738 -0.170 -4.334) 6.423 2.472 ( -4.738 -0.170 4.334) 6.423 2.719 ( 3.753 2.761 -3.107) 5.600 2.719 ( 3.753 2.761 3.107) 5.600 2.794 ( 0.355 2.614 -1.343) 2.960 2.794 ( 0.355 2.614 1.343) 2.960 3.013 ( 3.187 2.492 -0.865) 4.137 3.013 ( 3.187 2.492 0.865) 4.137 3.062 ( 2.962 1.503 -2.702) 4.281 3.062 ( 2.962 1.503 2.702) 4.282 3.217 ( -0.705 1.989 -0.399) 2.147 3.217 ( -0.705 1.989 0.399) 2.147 3.484 ( -9.797 -3.364 -1.223) 10.430 3.484 ( -9.797 -3.364 1.223) 10.430 4.022 ( 5.146 1.132 -2.253) 5.731 4.022 ( 5.146 1.132 2.253) 5.731 4.280 ( 0.130 -4.143 -1.385) 4.370 4.280 ( 0.130 -4.143 1.385) 4.370 4.560 ( 0.501 10.256 -1.118) 10.329 4.560 ( 0.501 10.256 1.118) 10.329 4.598 ( 0.454 3.818 -1.487) 4.122 4.598 ( 0.454 3.818 1.487) 4.122 4.716 ( 0.374 5.568 -0.680) 5.621 4.716 ( 0.374 5.568 0.680) 5.621 4.801 ( -0.768 -2.193 -0.206) 2.333 4.801 ( -0.768 -2.193 0.206) 2.333 6.176 ( 0.383 5.796 -0.806) 5.864 6.176 ( 0.383 5.796 0.806) 5.864 6.221 ( -0.723 5.601 -1.296) 5.794 6.221 ( -0.723 5.601 1.296) 5.794 6.459 ( -0.425 -4.104 -0.248) 4.133 6.459 ( -0.425 -4.104 0.248) 4.133 6.478 ( -0.892 -3.898 -0.873) 4.093 6.478 ( -0.892 -3.898 0.873) 4.093 7.386 ( 0.734 4.556 -0.335) 4.627 7.386 ( 0.734 4.556 0.335) 4.627 7.409 ( -0.244 5.090 -0.372) 5.110 7.409 ( -0.244 5.090 0.372) 5.110 7.580 ( 0.625 -2.090 -0.236) 2.194 7.580 ( 0.625 -2.090 0.236) 2.194 7.615 ( -0.303 -2.883 -0.317) 2.916 7.615 ( -0.303 -2.883 0.317) 2.916 8.250 ( 1.779 -4.880 -0.675) 5.238 8.250 ( 1.779 -4.880 0.675) 5.238 8.330 ( -1.366 -4.621 -0.742) 4.875 8.330 ( -1.366 -4.621 0.742) 4.875 12.127 ( 0.111 -1.053 -0.118) 1.065 12.127 ( 0.111 -1.053 0.118) 1.065 12.144 ( -0.150 -1.593 -0.106) 1.604 12.144 ( -0.150 -1.593 0.106) 1.604 15.867 ( 1.749 2.356 -1.232) 3.182 15.867 ( 1.749 2.356 1.232) 3.182 15.973 ( -1.869 3.195 -0.563) 3.745 15.973 ( -1.869 3.195 0.563) 3.745 16.073 ( 1.894 -2.615 -1.090) 3.408 16.073 ( 1.894 -2.615 1.090) 3.408 16.196 ( -1.851 -1.195 -0.594) 2.282 16.196 ( -1.851 -1.195 0.594) 2.282 16.581 ( 1.079 -1.287 -0.711) 1.824 16.581 ( 1.079 -1.287 0.711) 1.824 16.758 ( -1.126 -5.654 -1.059) 5.862 16.758 ( -1.126 -5.654 1.059) 5.862 ======================= Grid point 169 (57/60) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.000 6.427 -0.000) 6.427 0.924 ( 0.000 6.427 -0.000) 6.427 0.964 ( -0.000 3.299 0.000) 3.299 0.964 ( 0.000 3.299 -0.000) 3.299 1.011 ( 0.000 2.531 0.000) 2.531 1.011 ( 0.000 2.531 0.000) 2.531 1.058 ( 0.000 2.022 0.000) 2.022 1.058 ( 0.000 2.022 0.000) 2.022 1.319 ( -0.000 4.025 -0.000) 4.025 1.319 ( 0.000 4.025 -0.000) 4.025 1.361 ( -0.000 -1.258 0.000) 1.258 1.361 ( 0.000 -1.258 0.000) 1.258 1.489 ( -0.000 1.868 -0.000) 1.868 1.489 ( 0.000 1.868 0.000) 1.868 1.607 ( -0.000 -1.790 0.000) 1.790 1.607 ( 0.000 -1.790 0.000) 1.790 1.956 ( -0.000 1.864 0.000) 1.864 1.956 ( 0.000 1.864 0.000) 1.864 2.082 ( 0.000 -1.552 0.000) 1.552 2.082 ( 0.000 -1.552 0.000) 1.552 2.295 ( 0.000 7.763 0.000) 7.763 2.295 ( -0.000 7.763 0.000) 7.763 2.415 ( 0.000 -0.405 -0.000) 0.405 2.415 ( 0.000 -0.405 -0.000) 0.405 2.774 ( -0.000 3.031 0.000) 3.031 2.774 ( 0.000 3.031 0.000) 3.031 2.784 ( -0.000 1.879 -0.000) 1.879 2.784 ( 0.000 1.879 -0.000) 1.879 3.059 ( -0.000 3.435 -0.000) 3.435 3.059 ( 0.000 3.435 0.000) 3.435 3.112 ( -0.000 1.349 0.000) 1.349 3.112 ( 0.000 1.349 0.000) 1.349 3.212 ( -0.000 1.855 0.000) 1.855 3.212 ( 0.000 1.855 0.000) 1.855 3.346 ( 0.000 -3.794 0.000) 3.794 3.346 ( 0.000 -3.794 0.000) 3.794 4.079 ( -0.000 3.804 0.000) 3.804 4.079 ( 0.000 3.804 0.000) 3.804 4.281 ( 0.000 -5.710 0.000) 5.710 4.281 ( 0.000 -5.710 0.000) 5.710 4.568 ( -0.000 10.609 0.000) 10.609 4.568 ( 0.000 10.609 0.000) 10.609 4.602 ( 0.000 2.768 0.000) 2.768 4.602 ( 0.000 2.768 0.000) 2.768 4.723 ( -0.000 6.390 0.000) 6.390 4.723 ( 0.000 6.390 0.000) 6.390 4.789 ( 0.000 -3.047 0.000) 3.047 4.789 ( 0.000 -3.047 0.000) 3.047 6.183 ( -0.000 5.961 -0.000) 5.961 6.183 ( 0.000 5.961 -0.000) 5.961 6.210 ( -0.000 5.468 0.000) 5.468 6.210 ( 0.000 5.468 0.000) 5.468 6.455 ( 0.000 -4.448 -0.000) 4.448 6.455 ( 0.000 -4.448 0.000) 4.448 6.465 ( 0.000 -3.678 0.000) 3.678 6.465 ( 0.000 -3.678 0.000) 3.678 7.400 ( -0.000 5.037 -0.000) 5.037 7.400 ( 0.000 5.037 -0.000) 5.037 7.401 ( -0.000 4.787 0.000) 4.787 7.401 ( 0.000 4.787 0.000) 4.787 7.590 ( -0.000 -2.113 0.000) 2.113 7.590 ( 0.000 -2.113 0.000) 2.113 7.610 ( -0.000 -3.094 0.000) 3.094 7.610 ( 0.000 -3.094 0.000) 3.094 8.291 ( -0.000 -4.602 -0.000) 4.602 8.291 ( 0.000 -4.602 0.000) 4.602 8.295 ( -0.000 -4.930 0.000) 4.930 8.295 ( 0.000 -4.930 0.000) 4.930 12.129 ( 0.000 -1.035 0.000) 1.035 12.129 ( 0.000 -1.035 0.000) 1.035 12.142 ( 0.000 -1.620 0.000) 1.620 12.142 ( 0.000 -1.620 0.000) 1.620 15.903 ( -0.000 3.384 0.000) 3.384 15.903 ( 0.000 3.384 0.000) 3.384 15.933 ( -0.000 2.302 0.000) 2.302 15.933 ( 0.000 2.302 -0.000) 2.302 16.113 ( 0.000 -1.340 0.000) 1.340 16.113 ( 0.000 -1.340 0.000) 1.340 16.158 ( 0.000 -3.228 0.000) 3.228 16.158 ( 0.000 -3.228 0.000) 3.228 16.596 ( -0.000 0.461 0.000) 0.461 16.596 ( 0.000 0.461 0.000) 0.461 16.743 ( -0.000 -6.707 0.000) 6.707 16.743 ( 0.000 -6.707 0.000) 6.707 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 0.000 0.000) 0.000 0.958 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.030 ( 0.000 0.000 -0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 -0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 -0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 -0.000 -0.000) 0.000 1.542 ( 0.000 0.000 -0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 -0.000 0.000) 0.000 2.417 ( 0.000 -0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 -0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 -0.000 0.000) 0.000 4.671 ( 0.000 0.000 -0.000) 0.000 4.776 ( 0.000 0.000 -0.000) 0.000 4.776 ( 0.000 0.000 -0.000) 0.000 4.801 ( 0.000 -0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 -0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 -0.000 -0.000) 0.000 6.436 ( 0.000 -0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 179 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.273 0.000 0.000) 1.273 0.974 ( 1.273 0.000 0.000) 1.273 0.996 ( 0.137 0.000 0.000) 0.137 0.996 ( 0.137 0.000 0.000) 0.137 1.035 ( 0.548 0.000 -0.000) 0.548 1.035 ( 0.548 0.000 0.000) 0.548 1.092 ( -1.549 0.000 0.000) 1.549 1.092 ( -1.549 0.000 0.000) 1.549 1.305 ( 1.769 0.000 0.000) 1.769 1.305 ( 1.769 0.000 0.000) 1.769 1.379 ( -0.019 0.000 -0.000) 0.019 1.379 ( -0.019 0.000 0.000) 0.019 1.536 ( 1.782 -0.000 0.000) 1.782 1.536 ( 1.782 0.000 0.000) 1.782 1.542 ( 0.337 -0.000 -0.000) 0.337 1.542 ( 0.337 0.000 -0.000) 0.337 1.929 ( 2.932 0.000 -0.000) 2.932 1.929 ( 2.932 0.000 0.000) 2.932 2.100 ( -3.765 0.000 0.000) 3.765 2.100 ( -3.765 0.000 0.000) 3.765 2.396 ( -1.553 -0.000 -0.000) 1.553 2.396 ( -1.553 -0.000 0.000) 1.553 2.470 ( -5.448 0.000 0.000) 5.448 2.470 ( -5.448 0.000 0.000) 5.448 2.746 ( 3.308 0.000 0.000) 3.308 2.746 ( 3.308 0.000 0.000) 3.308 2.824 ( 0.370 0.000 0.000) 0.370 2.824 ( 0.370 0.000 0.000) 0.370 3.033 ( 4.447 0.000 0.000) 4.447 3.033 ( 4.447 0.000 0.000) 4.447 3.081 ( 2.016 -0.000 -0.000) 2.016 3.081 ( 2.016 0.000 0.000) 2.016 3.245 ( -0.590 0.000 0.000) 0.590 3.245 ( -0.590 0.000 0.000) 0.590 3.447 ( -10.152 0.000 0.000) 10.152 3.447 ( -10.152 0.000 0.000) 10.152 4.037 ( 7.851 0.000 0.000) 7.851 4.037 ( 7.851 0.000 0.000) 7.851 4.234 ( -1.756 0.000 0.000) 1.756 4.234 ( -1.756 0.000 0.000) 1.756 4.620 ( 1.007 0.000 0.000) 1.007 4.620 ( 1.007 0.000 0.000) 1.007 4.664 ( -0.703 0.000 0.000) 0.703 4.664 ( -0.703 0.000 0.000) 0.703 4.779 ( 0.250 -0.000 -0.000) 0.250 4.779 ( 0.250 0.000 -0.000) 0.250 4.797 ( -0.379 0.000 0.000) 0.379 4.797 ( -0.379 0.000 0.000) 0.379 6.237 ( 0.643 0.000 0.000) 0.643 6.237 ( 0.643 0.000 0.000) 0.643 6.278 ( -0.913 0.000 0.000) 0.913 6.278 ( -0.913 0.000 0.000) 0.913 6.421 ( -0.700 0.000 0.000) 0.700 6.421 ( -0.700 0.000 0.000) 0.700 6.427 ( -0.763 -0.000 0.000) 0.763 6.427 ( -0.763 -0.000 0.000) 0.763 7.430 ( 1.000 0.000 0.000) 1.000 7.430 ( 1.000 0.000 0.000) 1.000 7.461 ( -0.311 0.000 0.000) 0.311 7.461 ( -0.311 0.000 0.000) 0.311 7.560 ( 0.524 0.000 0.000) 0.524 7.560 ( 0.524 0.000 0.000) 0.524 7.586 ( -0.456 0.000 0.000) 0.456 7.586 ( -0.456 0.000 0.000) 0.456 8.200 ( 1.840 0.000 0.000) 1.840 8.200 ( 1.840 0.000 0.000) 1.840 8.283 ( -1.446 0.000 0.000) 1.446 8.283 ( -1.446 0.000 0.000) 1.446 12.118 ( 0.152 0.000 0.000) 0.152 12.118 ( 0.152 0.000 0.000) 0.152 12.127 ( -0.198 0.000 0.000) 0.198 12.127 ( -0.198 0.000 0.000) 0.198 15.892 ( 2.098 0.000 0.000) 2.098 15.892 ( 2.098 0.000 0.000) 2.098 16.002 ( -0.834 0.000 0.000) 0.834 16.002 ( -0.834 0.000 0.000) 0.834 16.048 ( 0.859 0.000 0.000) 0.859 16.048 ( 0.859 0.000 0.000) 0.859 16.182 ( -2.856 0.000 0.000) 2.856 16.182 ( -2.856 0.000 0.000) 2.856 16.572 ( 2.930 0.000 0.000) 2.930 16.572 ( 2.930 0.000 0.000) 2.930 16.700 ( -2.267 0.000 0.000) 2.267 16.700 ( -2.267 0.000 0.000) 2.267 ======================= Grid point 183 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.276 -0.349 0.000) 0.445 0.994 ( -0.276 -0.349 0.000) 0.445 0.994 ( 0.276 0.349 0.000) 0.445 0.994 ( 0.276 0.349 0.000) 0.445 1.056 ( -0.620 -1.880 -0.000) 1.980 1.056 ( -0.620 -1.880 0.000) 1.980 1.056 ( 0.620 1.880 -0.000) 1.980 1.056 ( 0.620 1.880 0.000) 1.980 1.352 ( -2.389 -0.014 -0.000) 2.389 1.352 ( -2.389 -0.014 0.000) 2.389 1.352 ( 2.389 0.014 0.000) 2.389 1.352 ( 2.389 0.014 0.000) 2.389 1.555 ( -0.009 -3.784 0.000) 3.784 1.555 ( -0.009 -3.784 0.000) 3.784 1.555 ( 0.009 3.784 0.000) 3.784 1.555 ( 0.009 3.784 0.000) 3.784 2.009 ( -2.405 -3.462 0.000) 4.215 2.009 ( -2.405 -3.462 0.000) 4.215 2.009 ( 2.405 3.462 -0.000) 4.215 2.009 ( 2.405 3.462 0.000) 4.215 2.390 ( -0.590 -2.364 -0.000) 2.437 2.390 ( -0.590 -2.364 0.000) 2.437 2.390 ( 0.590 2.364 0.000) 2.437 2.390 ( 0.590 2.364 0.000) 2.437 2.806 ( -2.142 -0.031 0.000) 2.142 2.806 ( -2.142 -0.031 0.000) 2.142 2.806 ( 2.142 0.031 0.000) 2.142 2.806 ( 2.142 0.031 0.000) 2.142 3.109 ( -0.647 -1.441 0.000) 1.580 3.109 ( -0.647 -1.441 0.000) 1.580 3.109 ( 0.647 1.441 0.000) 1.580 3.109 ( 0.647 1.441 0.000) 1.580 3.271 ( -3.219 -3.188 0.000) 4.530 3.271 ( -3.219 -3.188 0.000) 4.530 3.271 ( 3.219 3.188 -0.000) 4.530 3.271 ( 3.219 3.188 0.000) 4.530 4.170 ( -2.041 -5.006 0.000) 5.406 4.170 ( -2.041 -5.006 0.000) 5.406 4.170 ( 2.041 5.006 0.000) 5.406 4.170 ( 2.041 5.006 0.000) 5.406 4.644 ( -0.511 -1.228 0.000) 1.330 4.644 ( -0.511 -1.228 0.000) 1.330 4.644 ( 0.511 1.228 0.000) 1.330 4.644 ( 0.511 1.228 0.000) 1.330 4.787 ( -0.232 -0.504 0.000) 0.555 4.787 ( -0.232 -0.504 0.000) 0.555 4.787 ( 0.232 0.504 0.000) 0.555 4.787 ( 0.232 0.504 0.000) 0.555 6.256 ( -0.530 -1.002 0.000) 1.133 6.256 ( -0.530 -1.002 0.000) 1.133 6.256 ( 0.530 1.002 0.000) 1.133 6.256 ( 0.530 1.002 0.000) 1.133 6.415 ( -0.035 -0.755 0.000) 0.756 6.415 ( -0.035 -0.755 0.000) 0.756 6.415 ( 0.035 0.755 0.000) 0.756 6.415 ( 0.035 0.755 0.000) 0.756 7.450 ( -0.822 -0.010 0.000) 0.822 7.450 ( -0.822 -0.010 0.000) 0.822 7.450 ( 0.822 0.010 0.000) 0.822 7.450 ( 0.822 0.010 0.000) 0.822 7.574 ( -0.449 -0.396 0.000) 0.599 7.574 ( -0.449 -0.396 0.000) 0.599 7.574 ( 0.449 0.396 0.000) 0.599 7.574 ( 0.449 0.396 0.000) 0.599 8.244 ( -2.297 -0.002 0.000) 2.297 8.244 ( -2.297 -0.002 0.000) 2.297 8.244 ( 2.297 0.002 0.000) 2.297 8.244 ( 2.297 0.002 0.000) 2.297 12.122 ( -0.080 -0.342 0.000) 0.352 12.122 ( -0.080 -0.342 0.000) 0.352 12.122 ( 0.080 0.342 0.000) 0.352 12.122 ( 0.080 0.342 0.000) 0.352 15.948 ( -2.859 -0.454 0.000) 2.895 15.948 ( -2.859 -0.454 0.000) 2.895 15.948 ( 2.859 0.454 0.000) 2.895 15.948 ( 2.859 0.454 0.000) 2.895 16.110 ( -3.385 -0.654 0.000) 3.448 16.110 ( -3.385 -0.654 0.000) 3.448 16.110 ( 3.385 0.654 0.000) 3.448 16.110 ( 3.385 0.654 0.000) 3.448 16.640 ( -1.442 -3.574 0.000) 3.854 16.640 ( -1.442 -3.574 0.000) 3.854 16.640 ( 1.442 3.574 0.000) 3.854 16.640 ( 1.442 3.574 0.000) 3.854 =================== 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 3/16128 10.0 8.733 18.432 16.723 0.000 0.000 -0.000 3/16128 20.0 2.334 5.586 4.500 0.000 0.000 -0.000 3/16128 30.0 1.265 3.013 2.417 0.000 0.000 -0.000 3/16128 40.0 0.882 2.063 1.645 0.000 0.000 -0.000 3/16128 50.0 0.688 1.591 1.251 0.000 0.000 -0.000 3/16128 60.0 0.569 1.313 1.012 0.000 0.000 -0.000 3/16128 70.0 0.487 1.130 0.851 0.000 0.000 -0.000 3/16128 80.0 0.427 1.000 0.735 0.000 0.000 -0.000 3/16128 90.0 0.380 0.902 0.648 0.000 0.000 -0.000 3/16128 100.0 0.343 0.825 0.581 0.000 0.000 -0.000 3/16128 110.0 0.313 0.763 0.526 0.000 0.000 -0.000 3/16128 120.0 0.288 0.711 0.482 0.000 0.000 -0.000 3/16128 130.0 0.267 0.667 0.445 0.000 0.000 -0.000 3/16128 140.0 0.249 0.629 0.415 0.000 0.000 -0.000 3/16128 150.0 0.234 0.596 0.388 0.000 0.000 -0.000 3/16128 160.0 0.220 0.567 0.365 0.000 0.000 -0.000 3/16128 170.0 0.208 0.541 0.345 0.000 0.000 -0.000 3/16128 180.0 0.197 0.518 0.328 0.000 0.000 -0.000 3/16128 190.0 0.188 0.497 0.312 0.000 0.000 -0.000 3/16128 200.0 0.179 0.477 0.298 0.000 0.000 -0.000 3/16128 210.0 0.171 0.460 0.285 0.000 0.000 -0.000 3/16128 220.0 0.164 0.443 0.274 0.000 0.000 -0.000 3/16128 230.0 0.158 0.428 0.263 0.000 0.000 -0.000 3/16128 240.0 0.152 0.414 0.253 0.000 0.000 -0.000 3/16128 250.0 0.146 0.401 0.244 0.000 0.000 -0.000 3/16128 260.0 0.141 0.389 0.236 0.000 0.000 -0.000 3/16128 270.0 0.136 0.377 0.228 0.000 0.000 -0.000 3/16128 280.0 0.132 0.366 0.221 0.000 0.000 -0.000 3/16128 290.0 0.128 0.356 0.214 0.000 0.000 -0.000 3/16128 300.0 0.124 0.346 0.208 0.000 0.000 -0.000 3/16128 310.0 0.120 0.337 0.202 0.000 0.000 -0.000 3/16128 320.0 0.117 0.328 0.196 0.000 0.000 -0.000 3/16128 330.0 0.113 0.320 0.191 0.000 0.000 -0.000 3/16128 340.0 0.110 0.312 0.186 0.000 0.000 -0.000 3/16128 350.0 0.107 0.305 0.181 0.000 0.000 -0.000 3/16128 360.0 0.105 0.297 0.177 0.000 0.000 -0.000 3/16128 370.0 0.102 0.291 0.172 0.000 0.000 -0.000 3/16128 380.0 0.099 0.284 0.168 0.000 0.000 -0.000 3/16128 390.0 0.097 0.278 0.164 0.000 0.000 -0.000 3/16128 400.0 0.095 0.272 0.161 0.000 0.000 -0.000 3/16128 410.0 0.093 0.266 0.157 0.000 0.000 -0.000 3/16128 420.0 0.091 0.260 0.154 0.000 0.000 -0.000 3/16128 430.0 0.089 0.255 0.150 0.000 0.000 -0.000 3/16128 440.0 0.087 0.250 0.147 0.000 0.000 -0.000 3/16128 450.0 0.085 0.245 0.144 0.000 0.000 -0.000 3/16128 460.0 0.083 0.240 0.141 0.000 0.000 -0.000 3/16128 470.0 0.081 0.236 0.138 0.000 0.000 -0.000 3/16128 480.0 0.080 0.231 0.136 0.000 0.000 -0.000 3/16128 490.0 0.078 0.227 0.133 0.000 0.000 -0.000 3/16128 500.0 0.077 0.223 0.131 0.000 0.000 -0.000 3/16128 510.0 0.075 0.219 0.128 0.000 0.000 -0.000 3/16128 520.0 0.074 0.215 0.126 0.000 0.000 -0.000 3/16128 530.0 0.073 0.212 0.124 0.000 0.000 -0.000 3/16128 540.0 0.071 0.208 0.122 0.000 0.000 -0.000 3/16128 550.0 0.070 0.205 0.120 0.000 0.000 -0.000 3/16128 560.0 0.069 0.201 0.118 0.000 0.000 -0.000 3/16128 570.0 0.068 0.198 0.116 0.000 0.000 -0.000 3/16128 580.0 0.067 0.195 0.114 0.000 0.000 -0.000 3/16128 590.0 0.066 0.192 0.112 0.000 0.000 -0.000 3/16128 600.0 0.065 0.189 0.110 0.000 0.000 -0.000 3/16128 610.0 0.064 0.186 0.108 0.000 0.000 -0.000 3/16128 620.0 0.063 0.183 0.107 0.000 0.000 -0.000 3/16128 630.0 0.062 0.181 0.105 0.000 0.000 -0.000 3/16128 640.0 0.061 0.178 0.104 0.000 0.000 -0.000 3/16128 650.0 0.060 0.175 0.102 0.000 0.000 -0.000 3/16128 660.0 0.059 0.173 0.101 0.000 0.000 -0.000 3/16128 670.0 0.058 0.171 0.099 0.000 0.000 -0.000 3/16128 680.0 0.057 0.168 0.098 0.000 0.000 -0.000 3/16128 690.0 0.056 0.166 0.096 0.000 0.000 -0.000 3/16128 700.0 0.056 0.164 0.095 0.000 0.000 -0.000 3/16128 710.0 0.055 0.162 0.094 0.000 0.000 -0.000 3/16128 720.0 0.054 0.159 0.093 0.000 0.000 -0.000 3/16128 730.0 0.053 0.157 0.091 0.000 0.000 -0.000 3/16128 740.0 0.053 0.155 0.090 0.000 0.000 -0.000 3/16128 750.0 0.052 0.153 0.089 0.000 0.000 -0.000 3/16128 760.0 0.051 0.152 0.088 0.000 0.000 -0.000 3/16128 770.0 0.051 0.150 0.087 0.000 0.000 -0.000 3/16128 780.0 0.050 0.148 0.086 0.000 0.000 -0.000 3/16128 790.0 0.049 0.146 0.085 0.000 0.000 -0.000 3/16128 800.0 0.049 0.144 0.084 0.000 0.000 -0.000 3/16128 810.0 0.048 0.143 0.083 0.000 0.000 -0.000 3/16128 820.0 0.048 0.141 0.082 0.000 0.000 -0.000 3/16128 830.0 0.047 0.139 0.081 0.000 0.000 -0.000 3/16128 840.0 0.047 0.138 0.080 0.000 0.000 -0.000 3/16128 850.0 0.046 0.136 0.079 0.000 0.000 -0.000 3/16128 860.0 0.046 0.135 0.078 0.000 0.000 -0.000 3/16128 870.0 0.045 0.133 0.077 0.000 0.000 -0.000 3/16128 880.0 0.044 0.132 0.076 0.000 0.000 -0.000 3/16128 890.0 0.044 0.130 0.075 0.000 0.000 -0.000 3/16128 900.0 0.044 0.129 0.075 0.000 0.000 -0.000 3/16128 910.0 0.043 0.128 0.074 0.000 0.000 -0.000 3/16128 920.0 0.043 0.126 0.073 0.000 0.000 -0.000 3/16128 930.0 0.042 0.125 0.072 0.000 0.000 -0.000 3/16128 940.0 0.042 0.124 0.072 0.000 0.000 -0.000 3/16128 950.0 0.041 0.123 0.071 0.000 0.000 -0.000 3/16128 960.0 0.041 0.121 0.070 0.000 0.000 -0.000 3/16128 970.0 0.040 0.120 0.069 0.000 0.000 -0.000 3/16128 980.0 0.040 0.119 0.069 0.000 0.000 -0.000 3/16128 990.0 0.040 0.118 0.068 0.000 0.000 -0.000 3/16128 1000.0 0.039 0.117 0.067 0.000 0.000 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m486.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:02:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|