----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.370884030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): *1 O 0.70789411783176 0.20825853968245 0.51142423410893 15.999 2 O 0.20789411783176 0.29174146031755 0.48857576589107 15.999 3 O 0.29210588216824 0.70825853968245 0.98857576589107 15.999 4 O 0.79210588216824 0.79174146031755 0.01142423410893 15.999 5 O 0.29210588216824 0.79174146031755 0.48857576589107 15.999 6 O 0.79210588216824 0.70825853968245 0.51142423410893 15.999 7 O 0.70789411783176 0.29174146031755 0.01142423410893 15.999 8 O 0.20789411783176 0.20825853968245 0.98857576589107 15.999 *9 O 0.79091276264482 0.71051124040962 0.34801895069320 15.999 10 O 0.29091276264482 0.78948875959038 0.65198104930680 15.999 11 O 0.20908723735518 0.21051124040962 0.15198104930680 15.999 12 O 0.70908723735518 0.28948875959038 0.84801895069320 15.999 13 O 0.20908723735518 0.28948875959038 0.65198104930680 15.999 14 O 0.70908723735518 0.21051124040962 0.34801895069320 15.999 15 O 0.79091276264482 0.78948875959038 0.84801895069320 15.999 16 O 0.29091276264482 0.71051124040962 0.15198104930680 15.999 *17 O 0.93152735224288 0.97853120324187 0.71275152172613 15.999 *18 O 0.20888668583180 0.29288686651904 0.36961756679779 15.999 19 O 0.79111331416820 0.79288686651904 0.13038243320221 15.999 20 O 0.29111331416820 0.70711313348096 0.86961756679779 15.999 21 O 0.79111331416820 0.70711313348096 0.63038243320221 15.999 22 O 0.29111331416820 0.79288686651904 0.36961756679779 15.999 23 O 0.20888668583180 0.20711313348096 0.86961756679779 15.999 24 O 0.70888668583180 0.29288686651904 0.13038243320221 15.999 25 O 0.06847264775712 0.02146879675813 0.28724847827387 15.999 26 O 0.56847264775712 0.47853120324187 0.71275152172613 15.999 27 O 0.93152735224288 0.52146879675813 0.21275152172613 15.999 28 O 0.43152735224288 0.97853120324187 0.78724847827387 15.999 *29 O 0.42276036068475 0.98067518124381 0.07059435431024 15.999 30 O 0.92276036068475 0.51932481875619 0.92940564568976 15.999 31 O 0.57723963931525 0.48067518124381 0.42940564568976 15.999 32 O 0.07723963931525 0.01932481875619 0.57059435431024 15.999 33 O 0.57723963931525 0.01932481875619 0.92940564568976 15.999 34 O 0.07723963931525 0.48067518124381 0.07059435431024 15.999 35 O 0.42276036068475 0.51932481875619 0.57059435431024 15.999 36 O 0.92276036068475 0.98067518124381 0.42940564568976 15.999 37 O 0.56847264775712 0.02146879675813 0.21275152172613 15.999 38 O 0.06847264775712 0.47853120324187 0.78724847827387 15.999 39 O 0.43152735224288 0.52146879675813 0.28724847827387 15.999 40 O 0.70888668583180 0.20711313348096 0.63038243320221 15.999 *41 Ca 0.50654281967155 0.54231459799819 0.06970481723590 40.078 42 Ca 0.00654281967155 0.95768540200181 0.93029518276410 40.078 43 Ca 0.49345718032845 0.04231459799819 0.43029518276410 40.078 44 Ca 0.99345718032845 0.45768540200181 0.56970481723590 40.078 45 Ca 0.49345718032845 0.45768540200181 0.93029518276410 40.078 46 Ca 0.99345718032845 0.04231459799819 0.06970481723590 40.078 47 Ca 0.50654281967155 0.95768540200181 0.56970481723590 40.078 48 Ca 0.00654281967155 0.54231459799819 0.43029518276410 40.078 *49 Ca 0.99282548874975 0.95518288207955 0.20523148377496 40.078 50 Ca 0.49282548874975 0.54481711792045 0.79476851622504 40.078 51 Ca 0.00717451125025 0.45518288207955 0.29476851622504 40.078 52 Ca 0.50717451125025 0.04481711792045 0.70523148377496 40.078 53 Ca 0.49282548874975 0.95518288207955 0.29476851622504 40.078 54 Ca 0.99282548874975 0.54481711792045 0.70523148377496 40.078 55 Ca 0.50717451125025 0.45518288207955 0.20523148377496 40.078 56 Ca 0.00717451125025 0.04481711792045 0.79476851622504 40.078 *57 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 58 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 59 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 60 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 *61 Ti 0.50062040418626 0.99102171115167 0.14241573451985 47.867 62 Ti 0.00062040418626 0.50897828884833 0.85758426548015 47.867 63 Ti 0.49937959581374 0.49102171115167 0.35758426548015 47.867 64 Ti 0.99937959581374 0.00897828884833 0.64241573451985 47.867 65 Ti 0.49937959581374 0.00897828884833 0.85758426548015 47.867 66 Ti 0.99937959581374 0.49102171115167 0.14241573451985 47.867 67 Ti 0.50062040418626 0.50897828884833 0.64241573451985 47.867 68 Ti 0.00062040418626 0.99102171115167 0.35758426548015 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.370884030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): *1 O 0.70789411783176 0.20825853968245 0.51142423410893 15.999 > 1 2 O 0.20789411783176 0.29174146031755 0.48857576589107 15.999 > 2 3 O 0.29210588216824 0.70825853968245 0.98857576589107 15.999 > 3 4 O 0.79210588216824 0.79174146031755 0.01142423410893 15.999 > 4 5 O 0.29210588216824 0.79174146031755 0.48857576589107 15.999 > 5 6 O 0.79210588216824 0.70825853968245 0.51142423410893 15.999 > 6 7 O 0.70789411783176 0.29174146031755 0.01142423410893 15.999 > 7 8 O 0.20789411783176 0.20825853968245 0.98857576589107 15.999 > 8 *9 O 0.79091276264482 0.71051124040962 0.34801895069320 15.999 > 9 10 O 0.29091276264482 0.78948875959038 0.65198104930680 15.999 > 10 11 O 0.20908723735518 0.21051124040962 0.15198104930680 15.999 > 11 12 O 0.70908723735518 0.28948875959038 0.84801895069320 15.999 > 12 13 O 0.20908723735518 0.28948875959038 0.65198104930680 15.999 > 13 14 O 0.70908723735518 0.21051124040962 0.34801895069320 15.999 > 14 15 O 0.79091276264482 0.78948875959038 0.84801895069320 15.999 > 15 16 O 0.29091276264482 0.71051124040962 0.15198104930680 15.999 > 16 *17 O 0.93152735224288 0.97853120324187 0.71275152172613 15.999 > 17 *18 O 0.20888668583180 0.29288686651904 0.36961756679779 15.999 > 18 19 O 0.79111331416820 0.79288686651904 0.13038243320221 15.999 > 19 20 O 0.29111331416820 0.70711313348096 0.86961756679779 15.999 > 20 21 O 0.79111331416820 0.70711313348096 0.63038243320221 15.999 > 21 22 O 0.29111331416820 0.79288686651904 0.36961756679779 15.999 > 22 23 O 0.20888668583180 0.20711313348096 0.86961756679779 15.999 > 23 24 O 0.70888668583180 0.29288686651904 0.13038243320221 15.999 > 24 25 O 0.06847264775712 0.02146879675813 0.28724847827387 15.999 > 25 26 O 0.56847264775712 0.47853120324187 0.71275152172613 15.999 > 26 27 O 0.93152735224288 0.52146879675813 0.21275152172613 15.999 > 27 28 O 0.43152735224288 0.97853120324187 0.78724847827387 15.999 > 28 *29 O 0.42276036068475 0.98067518124381 0.07059435431024 15.999 > 29 30 O 0.92276036068475 0.51932481875619 0.92940564568976 15.999 > 30 31 O 0.57723963931525 0.48067518124381 0.42940564568976 15.999 > 31 32 O 0.07723963931525 0.01932481875619 0.57059435431024 15.999 > 32 33 O 0.57723963931525 0.01932481875619 0.92940564568976 15.999 > 33 34 O 0.07723963931525 0.48067518124381 0.07059435431024 15.999 > 34 35 O 0.42276036068475 0.51932481875619 0.57059435431024 15.999 > 35 36 O 0.92276036068475 0.98067518124381 0.42940564568976 15.999 > 36 37 O 0.56847264775712 0.02146879675813 0.21275152172613 15.999 > 37 38 O 0.06847264775712 0.47853120324187 0.78724847827387 15.999 > 38 39 O 0.43152735224288 0.52146879675813 0.28724847827387 15.999 > 39 40 O 0.70888668583180 0.20711313348096 0.63038243320221 15.999 > 40 *41 Ca 0.50654281967155 0.54231459799819 0.06970481723590 40.078 > 41 42 Ca 0.00654281967155 0.95768540200181 0.93029518276410 40.078 > 42 43 Ca 0.49345718032845 0.04231459799819 0.43029518276410 40.078 > 43 44 Ca 0.99345718032845 0.45768540200181 0.56970481723590 40.078 > 44 45 Ca 0.49345718032845 0.45768540200181 0.93029518276410 40.078 > 45 46 Ca 0.99345718032845 0.04231459799819 0.06970481723590 40.078 > 46 47 Ca 0.50654281967155 0.95768540200181 0.56970481723590 40.078 > 47 48 Ca 0.00654281967155 0.54231459799819 0.43029518276410 40.078 > 48 *49 Ca 0.99282548874975 0.95518288207955 0.20523148377496 40.078 > 49 50 Ca 0.49282548874975 0.54481711792045 0.79476851622504 40.078 > 50 51 Ca 0.00717451125025 0.45518288207955 0.29476851622504 40.078 > 51 52 Ca 0.50717451125025 0.04481711792045 0.70523148377496 40.078 > 52 53 Ca 0.49282548874975 0.95518288207955 0.29476851622504 40.078 > 53 54 Ca 0.99282548874975 0.54481711792045 0.70523148377496 40.078 > 54 55 Ca 0.50717451125025 0.45518288207955 0.20523148377496 40.078 > 55 56 Ca 0.00717451125025 0.04481711792045 0.79476851622504 40.078 > 56 *57 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 57 58 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 58 59 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 59 60 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 60 *61 Ti 0.50062040418626 0.99102171115167 0.14241573451985 47.867 > 61 62 Ti 0.00062040418626 0.50897828884833 0.85758426548015 47.867 > 62 63 Ti 0.49937959581374 0.49102171115167 0.35758426548015 47.867 > 63 64 Ti 0.99937959581374 0.00897828884833 0.64241573451985 47.867 > 64 65 Ti 0.49937959581374 0.00897828884833 0.85758426548015 47.867 > 65 66 Ti 0.99937959581374 0.49102171115167 0.14241573451985 47.867 > 66 67 Ti 0.50062040418626 0.50897828884833 0.64241573451985 47.867 > 67 68 Ti 0.00062040418626 0.99102171115167 0.35758426548015 47.867 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.741768060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): *1 O 0.35394705891588 0.20825853968245 0.51142423410893 15.999 > 1 2 O 0.85394705891588 0.20825853968245 0.51142423410893 15.999 > 1 3 O 0.10394705891588 0.29174146031755 0.48857576589107 15.999 > 2 4 O 0.60394705891588 0.29174146031755 0.48857576589107 15.999 > 2 5 O 0.14605294108412 0.70825853968245 0.98857576589107 15.999 > 3 6 O 0.64605294108412 0.70825853968245 0.98857576589107 15.999 > 3 7 O 0.39605294108412 0.79174146031755 0.01142423410893 15.999 > 4 8 O 0.89605294108412 0.79174146031755 0.01142423410893 15.999 > 4 9 O 0.14605294108412 0.79174146031755 0.48857576589107 15.999 > 5 10 O 0.64605294108412 0.79174146031755 0.48857576589107 15.999 > 5 11 O 0.39605294108412 0.70825853968245 0.51142423410893 15.999 > 6 12 O 0.89605294108412 0.70825853968245 0.51142423410893 15.999 > 6 13 O 0.35394705891588 0.29174146031755 0.01142423410893 15.999 > 7 14 O 0.85394705891588 0.29174146031755 0.01142423410893 15.999 > 7 15 O 0.10394705891588 0.20825853968245 0.98857576589107 15.999 > 8 16 O 0.60394705891588 0.20825853968245 0.98857576589107 15.999 > 8 *17 O 0.39545638132241 0.71051124040962 0.34801895069320 15.999 > 9 18 O 0.89545638132241 0.71051124040962 0.34801895069320 15.999 > 9 19 O 0.14545638132241 0.78948875959038 0.65198104930680 15.999 > 10 20 O 0.64545638132241 0.78948875959038 0.65198104930680 15.999 > 10 21 O 0.10454361867759 0.21051124040962 0.15198104930680 15.999 > 11 22 O 0.60454361867759 0.21051124040962 0.15198104930680 15.999 > 11 23 O 0.35454361867759 0.28948875959038 0.84801895069320 15.999 > 12 24 O 0.85454361867759 0.28948875959038 0.84801895069320 15.999 > 12 25 O 0.10454361867759 0.28948875959038 0.65198104930680 15.999 > 13 26 O 0.60454361867759 0.28948875959038 0.65198104930680 15.999 > 13 27 O 0.35454361867759 0.21051124040962 0.34801895069320 15.999 > 14 28 O 0.85454361867759 0.21051124040962 0.34801895069320 15.999 > 14 29 O 0.39545638132241 0.78948875959038 0.84801895069320 15.999 > 15 30 O 0.89545638132241 0.78948875959038 0.84801895069320 15.999 > 15 31 O 0.14545638132241 0.71051124040962 0.15198104930680 15.999 > 16 32 O 0.64545638132241 0.71051124040962 0.15198104930680 15.999 > 16 *33 O 0.46576367612144 0.97853120324187 0.71275152172613 15.999 > 17 34 O 0.96576367612144 0.97853120324187 0.71275152172613 15.999 > 17 *35 O 0.10444334291590 0.29288686651904 0.36961756679779 15.999 > 18 36 O 0.60444334291590 0.29288686651904 0.36961756679779 15.999 > 18 37 O 0.39555665708410 0.79288686651904 0.13038243320221 15.999 > 19 38 O 0.89555665708410 0.79288686651904 0.13038243320221 15.999 > 19 39 O 0.14555665708410 0.70711313348096 0.86961756679779 15.999 > 20 40 O 0.64555665708410 0.70711313348096 0.86961756679779 15.999 > 20 41 O 0.39555665708410 0.70711313348096 0.63038243320221 15.999 > 21 42 O 0.89555665708410 0.70711313348096 0.63038243320221 15.999 > 21 43 O 0.14555665708410 0.79288686651904 0.36961756679779 15.999 > 22 44 O 0.64555665708410 0.79288686651904 0.36961756679779 15.999 > 22 45 O 0.10444334291590 0.20711313348096 0.86961756679779 15.999 > 23 46 O 0.60444334291590 0.20711313348096 0.86961756679779 15.999 > 23 47 O 0.35444334291590 0.29288686651904 0.13038243320221 15.999 > 24 48 O 0.85444334291590 0.29288686651904 0.13038243320221 15.999 > 24 49 O 0.03423632387856 0.02146879675813 0.28724847827387 15.999 > 25 50 O 0.53423632387856 0.02146879675813 0.28724847827387 15.999 > 25 51 O 0.28423632387856 0.47853120324187 0.71275152172613 15.999 > 26 52 O 0.78423632387856 0.47853120324187 0.71275152172613 15.999 > 26 53 O 0.46576367612144 0.52146879675813 0.21275152172613 15.999 > 27 54 O 0.96576367612144 0.52146879675813 0.21275152172613 15.999 > 27 55 O 0.21576367612144 0.97853120324187 0.78724847827387 15.999 > 28 56 O 0.71576367612144 0.97853120324187 0.78724847827387 15.999 > 28 *57 O 0.21138018034237 0.98067518124381 0.07059435431024 15.999 > 29 58 O 0.71138018034237 0.98067518124381 0.07059435431024 15.999 > 29 59 O 0.46138018034237 0.51932481875619 0.92940564568976 15.999 > 30 60 O 0.96138018034237 0.51932481875619 0.92940564568976 15.999 > 30 61 O 0.28861981965763 0.48067518124381 0.42940564568976 15.999 > 31 62 O 0.78861981965763 0.48067518124381 0.42940564568976 15.999 > 31 63 O 0.03861981965763 0.01932481875619 0.57059435431024 15.999 > 32 64 O 0.53861981965763 0.01932481875619 0.57059435431024 15.999 > 32 65 O 0.28861981965763 0.01932481875619 0.92940564568976 15.999 > 33 66 O 0.78861981965763 0.01932481875619 0.92940564568976 15.999 > 33 67 O 0.03861981965763 0.48067518124381 0.07059435431024 15.999 > 34 68 O 0.53861981965763 0.48067518124381 0.07059435431024 15.999 > 34 69 O 0.21138018034237 0.51932481875619 0.57059435431024 15.999 > 35 70 O 0.71138018034237 0.51932481875619 0.57059435431024 15.999 > 35 71 O 0.46138018034237 0.98067518124381 0.42940564568976 15.999 > 36 72 O 0.96138018034237 0.98067518124381 0.42940564568976 15.999 > 36 73 O 0.28423632387856 0.02146879675813 0.21275152172613 15.999 > 37 74 O 0.78423632387856 0.02146879675813 0.21275152172613 15.999 > 37 75 O 0.03423632387856 0.47853120324187 0.78724847827387 15.999 > 38 76 O 0.53423632387856 0.47853120324187 0.78724847827387 15.999 > 38 77 O 0.21576367612144 0.52146879675813 0.28724847827387 15.999 > 39 78 O 0.71576367612144 0.52146879675813 0.28724847827387 15.999 > 39 79 O 0.35444334291590 0.20711313348096 0.63038243320221 15.999 > 40 80 O 0.85444334291590 0.20711313348096 0.63038243320221 15.999 > 40 *81 Ca 0.25327140983577 0.54231459799819 0.06970481723590 40.078 > 41 82 Ca 0.75327140983577 0.54231459799819 0.06970481723590 40.078 > 41 83 Ca 0.00327140983577 0.95768540200181 0.93029518276410 40.078 > 42 84 Ca 0.50327140983577 0.95768540200181 0.93029518276410 40.078 > 42 85 Ca 0.24672859016423 0.04231459799819 0.43029518276410 40.078 > 43 86 Ca 0.74672859016423 0.04231459799819 0.43029518276410 40.078 > 43 87 Ca 0.49672859016423 0.45768540200181 0.56970481723590 40.078 > 44 88 Ca 0.99672859016423 0.45768540200181 0.56970481723590 40.078 > 44 89 Ca 0.24672859016423 0.45768540200181 0.93029518276410 40.078 > 45 90 Ca 0.74672859016423 0.45768540200181 0.93029518276410 40.078 > 45 91 Ca 0.49672859016423 0.04231459799819 0.06970481723590 40.078 > 46 92 Ca 0.99672859016423 0.04231459799819 0.06970481723590 40.078 > 46 93 Ca 0.25327140983577 0.95768540200181 0.56970481723590 40.078 > 47 94 Ca 0.75327140983577 0.95768540200181 0.56970481723590 40.078 > 47 95 Ca 0.00327140983577 0.54231459799819 0.43029518276410 40.078 > 48 96 Ca 0.50327140983577 0.54231459799819 0.43029518276410 40.078 > 48 *97 Ca 0.49641274437488 0.95518288207955 0.20523148377496 40.078 > 49 98 Ca 0.99641274437488 0.95518288207955 0.20523148377496 40.078 > 49 99 Ca 0.24641274437488 0.54481711792045 0.79476851622504 40.078 > 50 100 Ca 0.74641274437488 0.54481711792045 0.79476851622504 40.078 > 50 101 Ca 0.00358725562512 0.45518288207955 0.29476851622504 40.078 > 51 102 Ca 0.50358725562512 0.45518288207955 0.29476851622504 40.078 > 51 103 Ca 0.25358725562512 0.04481711792045 0.70523148377496 40.078 > 52 104 Ca 0.75358725562512 0.04481711792045 0.70523148377496 40.078 > 52 105 Ca 0.24641274437488 0.95518288207955 0.29476851622504 40.078 > 53 106 Ca 0.74641274437488 0.95518288207955 0.29476851622504 40.078 > 53 107 Ca 0.49641274437488 0.54481711792045 0.70523148377496 40.078 > 54 108 Ca 0.99641274437488 0.54481711792045 0.70523148377496 40.078 > 54 109 Ca 0.25358725562512 0.45518288207955 0.20523148377496 40.078 > 55 110 Ca 0.75358725562512 0.45518288207955 0.20523148377496 40.078 > 55 111 Ca 0.00358725562512 0.04481711792045 0.79476851622504 40.078 > 56 112 Ca 0.50358725562512 0.04481711792045 0.79476851622504 40.078 > 56 *113 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 57 114 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 57 115 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 58 116 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 58 117 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 59 118 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 59 119 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 60 120 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 60 *121 Ti 0.25031020209313 0.99102171115167 0.14241573451985 47.867 > 61 122 Ti 0.75031020209313 0.99102171115167 0.14241573451985 47.867 > 61 123 Ti 0.00031020209313 0.50897828884833 0.85758426548015 47.867 > 62 124 Ti 0.50031020209313 0.50897828884833 0.85758426548015 47.867 > 62 125 Ti 0.24968979790687 0.49102171115167 0.35758426548015 47.867 > 63 126 Ti 0.74968979790687 0.49102171115167 0.35758426548015 47.867 > 63 127 Ti 0.49968979790687 0.00897828884833 0.64241573451985 47.867 > 64 128 Ti 0.99968979790687 0.00897828884833 0.64241573451985 47.867 > 64 129 Ti 0.24968979790687 0.00897828884833 0.85758426548015 47.867 > 65 130 Ti 0.74968979790687 0.00897828884833 0.85758426548015 47.867 > 65 131 Ti 0.49968979790687 0.49102171115167 0.14241573451985 47.867 > 66 132 Ti 0.99968979790687 0.49102171115167 0.14241573451985 47.867 > 66 133 Ti 0.25031020209313 0.50897828884833 0.64241573451985 47.867 > 67 134 Ti 0.75031020209313 0.50897828884833 0.64241573451985 47.867 > 67 135 Ti 0.00031020209313 0.99102171115167 0.35758426548015 47.867 > 68 136 Ti 0.50031020209313 0.99102171115167 0.35758426548015 47.867 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7847692 0.0000000 0.0000000 0.0000000 5.8215642 0.0000000 0.0000000 0.0000000 5.5431046 -------------------------- Born effective charges -------------------------- 1 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 2 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 3 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 4 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 5 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 6 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 7 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 8 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 9 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 10 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 11 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 12 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 13 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 14 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 15 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 16 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 17 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 18 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 19 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 20 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 21 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 22 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 23 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 24 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 25 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 26 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 27 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 28 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 29 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 30 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 31 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 32 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 33 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 34 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 35 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 36 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 37 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 38 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 39 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 40 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 41 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 42 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 43 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 44 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 45 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 46 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 47 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 48 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 49 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 50 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 51 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 52 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 53 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 54 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 55 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 56 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 57 Ti 6.9307948 -0.6595252 -0.8058762 0.4749135 7.0217170 -0.1025677 0.6549155 -0.1890807 6.1507662 58 Ti 6.9307948 0.6595252 0.8058762 -0.4749135 7.0217170 -0.1025677 -0.6549155 -0.1890807 6.1507662 59 Ti 6.9307948 0.6595252 -0.8058762 -0.4749135 7.0217170 0.1025677 0.6549155 0.1890807 6.1507662 60 Ti 6.9307948 -0.6595252 0.8058762 0.4749135 7.0217170 0.1025677 -0.6549155 0.1890807 6.1507662 61 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 62 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 63 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 64 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 65 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 66 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 67 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 68 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5364, 5283), data: False |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 144), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 233), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 30), data: (1158, 48) @ (48, 30) |-- (158, 144), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 144), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 2.280 Solver_block: 200 / 1040 - Time: 1.912 Solver_block: 300 / 1040 - Time: 1.769 Solver_block: 400 / 1040 - Time: 1.971 Solver_block: 500 / 1040 - Time: 2.506 Solver_block: 600 / 1040 - Time: 2.757 Solver_block: 700 / 1040 - Time: 2.710 Solver_block: 800 / 1040 - Time: 2.303 Solver_block: 900 / 1040 - Time: 3.038 Solver_block: 1000 / 1040 - Time: 3.058 Solver_block: 1040 / 1040 - Time: 0.997 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.667 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1158 / 1158 (1) 144 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5364, 5283), data: False |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 144), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 233), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 30), data: (1158, 48) @ (48, 30) |-- (158, 144), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 144), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:19:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:20:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.370884030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): 1 O 0.70789411783176 0.20825853968245 0.51142423410893 15.999 2 O 0.20789411783176 0.29174146031755 0.48857576589107 15.999 3 O 0.29210588216824 0.70825853968245 0.98857576589107 15.999 4 O 0.79210588216824 0.79174146031755 0.01142423410893 15.999 5 O 0.29210588216824 0.79174146031755 0.48857576589107 15.999 6 O 0.79210588216824 0.70825853968245 0.51142423410893 15.999 7 O 0.70789411783176 0.29174146031755 0.01142423410893 15.999 8 O 0.20789411783176 0.20825853968245 0.98857576589107 15.999 9 O 0.79091276264482 0.71051124040962 0.34801895069320 15.999 10 O 0.29091276264482 0.78948875959038 0.65198104930680 15.999 11 O 0.20908723735518 0.21051124040962 0.15198104930680 15.999 12 O 0.70908723735518 0.28948875959038 0.84801895069320 15.999 13 O 0.20908723735518 0.28948875959038 0.65198104930680 15.999 14 O 0.70908723735518 0.21051124040962 0.34801895069320 15.999 15 O 0.79091276264482 0.78948875959038 0.84801895069320 15.999 16 O 0.29091276264482 0.71051124040962 0.15198104930680 15.999 17 O 0.93152735224288 0.97853120324187 0.71275152172613 15.999 18 O 0.20888668583180 0.29288686651904 0.36961756679779 15.999 19 O 0.79111331416820 0.79288686651904 0.13038243320221 15.999 20 O 0.29111331416820 0.70711313348096 0.86961756679779 15.999 21 O 0.79111331416820 0.70711313348096 0.63038243320221 15.999 22 O 0.29111331416820 0.79288686651904 0.36961756679779 15.999 23 O 0.20888668583180 0.20711313348096 0.86961756679779 15.999 24 O 0.70888668583180 0.29288686651904 0.13038243320221 15.999 25 O 0.06847264775712 0.02146879675813 0.28724847827387 15.999 26 O 0.56847264775712 0.47853120324187 0.71275152172613 15.999 27 O 0.93152735224288 0.52146879675813 0.21275152172613 15.999 28 O 0.43152735224288 0.97853120324187 0.78724847827387 15.999 29 O 0.42276036068475 0.98067518124381 0.07059435431024 15.999 30 O 0.92276036068475 0.51932481875619 0.92940564568976 15.999 31 O 0.57723963931525 0.48067518124381 0.42940564568976 15.999 32 O 0.07723963931525 0.01932481875619 0.57059435431024 15.999 33 O 0.57723963931525 0.01932481875619 0.92940564568976 15.999 34 O 0.07723963931525 0.48067518124381 0.07059435431024 15.999 35 O 0.42276036068475 0.51932481875619 0.57059435431024 15.999 36 O 0.92276036068475 0.98067518124381 0.42940564568976 15.999 37 O 0.56847264775712 0.02146879675813 0.21275152172613 15.999 38 O 0.06847264775712 0.47853120324187 0.78724847827387 15.999 39 O 0.43152735224288 0.52146879675813 0.28724847827387 15.999 40 O 0.70888668583180 0.20711313348096 0.63038243320221 15.999 41 Ca 0.50654281967155 0.54231459799819 0.06970481723590 40.078 42 Ca 0.00654281967155 0.95768540200181 0.93029518276410 40.078 43 Ca 0.49345718032845 0.04231459799819 0.43029518276410 40.078 44 Ca 0.99345718032845 0.45768540200181 0.56970481723590 40.078 45 Ca 0.49345718032845 0.45768540200181 0.93029518276410 40.078 46 Ca 0.99345718032845 0.04231459799819 0.06970481723590 40.078 47 Ca 0.50654281967155 0.95768540200181 0.56970481723590 40.078 48 Ca 0.00654281967155 0.54231459799819 0.43029518276410 40.078 49 Ca 0.99282548874975 0.95518288207955 0.20523148377496 40.078 50 Ca 0.49282548874975 0.54481711792045 0.79476851622504 40.078 51 Ca 0.00717451125025 0.45518288207955 0.29476851622504 40.078 52 Ca 0.50717451125025 0.04481711792045 0.70523148377496 40.078 53 Ca 0.49282548874975 0.95518288207955 0.29476851622504 40.078 54 Ca 0.99282548874975 0.54481711792045 0.70523148377496 40.078 55 Ca 0.50717451125025 0.45518288207955 0.20523148377496 40.078 56 Ca 0.00717451125025 0.04481711792045 0.79476851622504 40.078 57 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 58 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 59 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 60 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 61 Ti 0.50062040418626 0.99102171115167 0.14241573451985 47.867 62 Ti 0.00062040418626 0.50897828884833 0.85758426548015 47.867 63 Ti 0.49937959581374 0.49102171115167 0.35758426548015 47.867 64 Ti 0.99937959581374 0.00897828884833 0.64241573451985 47.867 65 Ti 0.49937959581374 0.00897828884833 0.85758426548015 47.867 66 Ti 0.99937959581374 0.49102171115167 0.14241573451985 47.867 67 Ti 0.50062040418626 0.50897828884833 0.64241573451985 47.867 68 Ti 0.00062040418626 0.99102171115167 0.35758426548015 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.741768060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): 1 O 0.35394705891588 0.20825853968245 0.51142423410893 15.999 > 1 2 O 0.85394705891588 0.20825853968245 0.51142423410893 15.999 > 1 3 O 0.10394705891588 0.29174146031755 0.48857576589107 15.999 > 3 4 O 0.60394705891588 0.29174146031755 0.48857576589107 15.999 > 3 5 O 0.14605294108412 0.70825853968245 0.98857576589107 15.999 > 5 6 O 0.64605294108412 0.70825853968245 0.98857576589107 15.999 > 5 7 O 0.39605294108412 0.79174146031755 0.01142423410893 15.999 > 7 8 O 0.89605294108412 0.79174146031755 0.01142423410893 15.999 > 7 9 O 0.14605294108412 0.79174146031755 0.48857576589107 15.999 > 9 10 O 0.64605294108412 0.79174146031755 0.48857576589107 15.999 > 9 11 O 0.39605294108412 0.70825853968245 0.51142423410893 15.999 > 11 12 O 0.89605294108412 0.70825853968245 0.51142423410893 15.999 > 11 13 O 0.35394705891588 0.29174146031755 0.01142423410893 15.999 > 13 14 O 0.85394705891588 0.29174146031755 0.01142423410893 15.999 > 13 15 O 0.10394705891588 0.20825853968245 0.98857576589107 15.999 > 15 16 O 0.60394705891588 0.20825853968245 0.98857576589107 15.999 > 15 17 O 0.39545638132241 0.71051124040962 0.34801895069320 15.999 > 17 18 O 0.89545638132241 0.71051124040962 0.34801895069320 15.999 > 17 19 O 0.14545638132241 0.78948875959038 0.65198104930680 15.999 > 19 20 O 0.64545638132241 0.78948875959038 0.65198104930680 15.999 > 19 21 O 0.10454361867759 0.21051124040962 0.15198104930680 15.999 > 21 22 O 0.60454361867759 0.21051124040962 0.15198104930680 15.999 > 21 23 O 0.35454361867759 0.28948875959038 0.84801895069320 15.999 > 23 24 O 0.85454361867759 0.28948875959038 0.84801895069320 15.999 > 23 25 O 0.10454361867759 0.28948875959038 0.65198104930680 15.999 > 25 26 O 0.60454361867759 0.28948875959038 0.65198104930680 15.999 > 25 27 O 0.35454361867759 0.21051124040962 0.34801895069320 15.999 > 27 28 O 0.85454361867759 0.21051124040962 0.34801895069320 15.999 > 27 29 O 0.39545638132241 0.78948875959038 0.84801895069320 15.999 > 29 30 O 0.89545638132241 0.78948875959038 0.84801895069320 15.999 > 29 31 O 0.14545638132241 0.71051124040962 0.15198104930680 15.999 > 31 32 O 0.64545638132241 0.71051124040962 0.15198104930680 15.999 > 31 33 O 0.46576367612144 0.97853120324187 0.71275152172613 15.999 > 33 34 O 0.96576367612144 0.97853120324187 0.71275152172613 15.999 > 33 35 O 0.10444334291590 0.29288686651904 0.36961756679779 15.999 > 35 36 O 0.60444334291590 0.29288686651904 0.36961756679779 15.999 > 35 37 O 0.39555665708410 0.79288686651904 0.13038243320221 15.999 > 37 38 O 0.89555665708410 0.79288686651904 0.13038243320221 15.999 > 37 39 O 0.14555665708410 0.70711313348096 0.86961756679779 15.999 > 39 40 O 0.64555665708410 0.70711313348096 0.86961756679779 15.999 > 39 41 O 0.39555665708410 0.70711313348096 0.63038243320221 15.999 > 41 42 O 0.89555665708410 0.70711313348096 0.63038243320221 15.999 > 41 43 O 0.14555665708410 0.79288686651904 0.36961756679779 15.999 > 43 44 O 0.64555665708410 0.79288686651904 0.36961756679779 15.999 > 43 45 O 0.10444334291590 0.20711313348096 0.86961756679779 15.999 > 45 46 O 0.60444334291590 0.20711313348096 0.86961756679779 15.999 > 45 47 O 0.35444334291590 0.29288686651904 0.13038243320221 15.999 > 47 48 O 0.85444334291590 0.29288686651904 0.13038243320221 15.999 > 47 49 O 0.03423632387856 0.02146879675813 0.28724847827387 15.999 > 49 50 O 0.53423632387856 0.02146879675813 0.28724847827387 15.999 > 49 51 O 0.28423632387856 0.47853120324187 0.71275152172613 15.999 > 51 52 O 0.78423632387856 0.47853120324187 0.71275152172613 15.999 > 51 53 O 0.46576367612144 0.52146879675813 0.21275152172613 15.999 > 53 54 O 0.96576367612144 0.52146879675813 0.21275152172613 15.999 > 53 55 O 0.21576367612144 0.97853120324187 0.78724847827387 15.999 > 55 56 O 0.71576367612144 0.97853120324187 0.78724847827387 15.999 > 55 57 O 0.21138018034237 0.98067518124381 0.07059435431024 15.999 > 57 58 O 0.71138018034237 0.98067518124381 0.07059435431024 15.999 > 57 59 O 0.46138018034237 0.51932481875619 0.92940564568976 15.999 > 59 60 O 0.96138018034237 0.51932481875619 0.92940564568976 15.999 > 59 61 O 0.28861981965763 0.48067518124381 0.42940564568976 15.999 > 61 62 O 0.78861981965763 0.48067518124381 0.42940564568976 15.999 > 61 63 O 0.03861981965763 0.01932481875619 0.57059435431024 15.999 > 63 64 O 0.53861981965763 0.01932481875619 0.57059435431024 15.999 > 63 65 O 0.28861981965763 0.01932481875619 0.92940564568976 15.999 > 65 66 O 0.78861981965763 0.01932481875619 0.92940564568976 15.999 > 65 67 O 0.03861981965763 0.48067518124381 0.07059435431024 15.999 > 67 68 O 0.53861981965763 0.48067518124381 0.07059435431024 15.999 > 67 69 O 0.21138018034237 0.51932481875619 0.57059435431024 15.999 > 69 70 O 0.71138018034237 0.51932481875619 0.57059435431024 15.999 > 69 71 O 0.46138018034237 0.98067518124381 0.42940564568976 15.999 > 71 72 O 0.96138018034237 0.98067518124381 0.42940564568976 15.999 > 71 73 O 0.28423632387856 0.02146879675813 0.21275152172613 15.999 > 73 74 O 0.78423632387856 0.02146879675813 0.21275152172613 15.999 > 73 75 O 0.03423632387856 0.47853120324187 0.78724847827387 15.999 > 75 76 O 0.53423632387856 0.47853120324187 0.78724847827387 15.999 > 75 77 O 0.21576367612144 0.52146879675813 0.28724847827387 15.999 > 77 78 O 0.71576367612144 0.52146879675813 0.28724847827387 15.999 > 77 79 O 0.35444334291590 0.20711313348096 0.63038243320221 15.999 > 79 80 O 0.85444334291590 0.20711313348096 0.63038243320221 15.999 > 79 81 Ca 0.25327140983577 0.54231459799819 0.06970481723590 40.078 > 81 82 Ca 0.75327140983577 0.54231459799819 0.06970481723590 40.078 > 81 83 Ca 0.00327140983577 0.95768540200181 0.93029518276410 40.078 > 83 84 Ca 0.50327140983577 0.95768540200181 0.93029518276410 40.078 > 83 85 Ca 0.24672859016423 0.04231459799819 0.43029518276410 40.078 > 85 86 Ca 0.74672859016423 0.04231459799819 0.43029518276410 40.078 > 85 87 Ca 0.49672859016423 0.45768540200181 0.56970481723590 40.078 > 87 88 Ca 0.99672859016423 0.45768540200181 0.56970481723590 40.078 > 87 89 Ca 0.24672859016423 0.45768540200181 0.93029518276410 40.078 > 89 90 Ca 0.74672859016423 0.45768540200181 0.93029518276410 40.078 > 89 91 Ca 0.49672859016423 0.04231459799819 0.06970481723590 40.078 > 91 92 Ca 0.99672859016423 0.04231459799819 0.06970481723590 40.078 > 91 93 Ca 0.25327140983577 0.95768540200181 0.56970481723590 40.078 > 93 94 Ca 0.75327140983577 0.95768540200181 0.56970481723590 40.078 > 93 95 Ca 0.00327140983577 0.54231459799819 0.43029518276410 40.078 > 95 96 Ca 0.50327140983577 0.54231459799819 0.43029518276410 40.078 > 95 97 Ca 0.49641274437488 0.95518288207955 0.20523148377496 40.078 > 97 98 Ca 0.99641274437488 0.95518288207955 0.20523148377496 40.078 > 97 99 Ca 0.24641274437488 0.54481711792045 0.79476851622504 40.078 > 99 100 Ca 0.74641274437488 0.54481711792045 0.79476851622504 40.078 > 99 101 Ca 0.00358725562512 0.45518288207955 0.29476851622504 40.078 > 101 102 Ca 0.50358725562512 0.45518288207955 0.29476851622504 40.078 > 101 103 Ca 0.25358725562512 0.04481711792045 0.70523148377496 40.078 > 103 104 Ca 0.75358725562512 0.04481711792045 0.70523148377496 40.078 > 103 105 Ca 0.24641274437488 0.95518288207955 0.29476851622504 40.078 > 105 106 Ca 0.74641274437488 0.95518288207955 0.29476851622504 40.078 > 105 107 Ca 0.49641274437488 0.54481711792045 0.70523148377496 40.078 > 107 108 Ca 0.99641274437488 0.54481711792045 0.70523148377496 40.078 > 107 109 Ca 0.25358725562512 0.45518288207955 0.20523148377496 40.078 > 109 110 Ca 0.75358725562512 0.45518288207955 0.20523148377496 40.078 > 109 111 Ca 0.00358725562512 0.04481711792045 0.79476851622504 40.078 > 111 112 Ca 0.50358725562512 0.04481711792045 0.79476851622504 40.078 > 111 113 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 113 114 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 113 115 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 115 116 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 115 117 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 117 118 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 117 119 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 119 120 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 119 121 Ti 0.25031020209313 0.99102171115167 0.14241573451985 47.867 > 121 122 Ti 0.75031020209313 0.99102171115167 0.14241573451985 47.867 > 121 123 Ti 0.00031020209313 0.50897828884833 0.85758426548015 47.867 > 123 124 Ti 0.50031020209313 0.50897828884833 0.85758426548015 47.867 > 123 125 Ti 0.24968979790687 0.49102171115167 0.35758426548015 47.867 > 125 126 Ti 0.74968979790687 0.49102171115167 0.35758426548015 47.867 > 125 127 Ti 0.49968979790687 0.00897828884833 0.64241573451985 47.867 > 127 128 Ti 0.99968979790687 0.00897828884833 0.64241573451985 47.867 > 127 129 Ti 0.24968979790687 0.00897828884833 0.85758426548015 47.867 > 129 130 Ti 0.74968979790687 0.00897828884833 0.85758426548015 47.867 > 129 131 Ti 0.49968979790687 0.49102171115167 0.14241573451985 47.867 > 131 132 Ti 0.99968979790687 0.49102171115167 0.14241573451985 47.867 > 131 133 Ti 0.25031020209313 0.50897828884833 0.64241573451985 47.867 > 133 134 Ti 0.75031020209313 0.50897828884833 0.64241573451985 47.867 > 133 135 Ti 0.00031020209313 0.99102171115167 0.35758426548015 47.867 > 135 136 Ti 0.50031020209313 0.99102171115167 0.35758426548015 47.867 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7847692 0.0000000 0.0000000 0.0000000 5.8215642 0.0000000 0.0000000 0.0000000 5.5431046 -------------------------- Born effective charges -------------------------- 1 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 2 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 3 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 4 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 5 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 6 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 7 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 8 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 9 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 10 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 11 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 12 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 13 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 14 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 15 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 16 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 17 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 18 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 19 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 20 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 21 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 22 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 23 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 24 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 25 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 26 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 27 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 28 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 29 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 30 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 31 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 32 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 33 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 34 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 35 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 36 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 37 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 38 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 39 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 40 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 41 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 42 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 43 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 44 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 45 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 46 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 47 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 48 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 49 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 50 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 51 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 52 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 53 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 54 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 55 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 56 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 57 Ti 6.9307948 -0.6595252 -0.8058762 0.4749135 7.0217170 -0.1025677 0.6549155 -0.1890807 6.1507662 58 Ti 6.9307948 0.6595252 0.8058762 -0.4749135 7.0217170 -0.1025677 -0.6549155 -0.1890807 6.1507662 59 Ti 6.9307948 0.6595252 -0.8058762 -0.4749135 7.0217170 0.1025677 0.6549155 0.1890807 6.1507662 60 Ti 6.9307948 -0.6595252 0.8058762 0.4749135 7.0217170 0.1025677 -0.6549155 0.1890807 6.1507662 61 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 62 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 63 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 64 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 65 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 66 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 67 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 68 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 113, 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[ 121, 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: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 01:21:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:21:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.370884030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): 1 O 0.70789411783176 0.20825853968245 0.51142423410893 15.999 2 O 0.20789411783176 0.29174146031755 0.48857576589107 15.999 3 O 0.29210588216824 0.70825853968245 0.98857576589107 15.999 4 O 0.79210588216824 0.79174146031755 0.01142423410893 15.999 5 O 0.29210588216824 0.79174146031755 0.48857576589107 15.999 6 O 0.79210588216824 0.70825853968245 0.51142423410893 15.999 7 O 0.70789411783176 0.29174146031755 0.01142423410893 15.999 8 O 0.20789411783176 0.20825853968245 0.98857576589107 15.999 9 O 0.79091276264482 0.71051124040962 0.34801895069320 15.999 10 O 0.29091276264482 0.78948875959038 0.65198104930680 15.999 11 O 0.20908723735518 0.21051124040962 0.15198104930680 15.999 12 O 0.70908723735518 0.28948875959038 0.84801895069320 15.999 13 O 0.20908723735518 0.28948875959038 0.65198104930680 15.999 14 O 0.70908723735518 0.21051124040962 0.34801895069320 15.999 15 O 0.79091276264482 0.78948875959038 0.84801895069320 15.999 16 O 0.29091276264482 0.71051124040962 0.15198104930680 15.999 17 O 0.93152735224288 0.97853120324187 0.71275152172613 15.999 18 O 0.20888668583180 0.29288686651904 0.36961756679779 15.999 19 O 0.79111331416820 0.79288686651904 0.13038243320221 15.999 20 O 0.29111331416820 0.70711313348096 0.86961756679779 15.999 21 O 0.79111331416820 0.70711313348096 0.63038243320221 15.999 22 O 0.29111331416820 0.79288686651904 0.36961756679779 15.999 23 O 0.20888668583180 0.20711313348096 0.86961756679779 15.999 24 O 0.70888668583180 0.29288686651904 0.13038243320221 15.999 25 O 0.06847264775712 0.02146879675813 0.28724847827387 15.999 26 O 0.56847264775712 0.47853120324187 0.71275152172613 15.999 27 O 0.93152735224288 0.52146879675813 0.21275152172613 15.999 28 O 0.43152735224288 0.97853120324187 0.78724847827387 15.999 29 O 0.42276036068475 0.98067518124381 0.07059435431024 15.999 30 O 0.92276036068475 0.51932481875619 0.92940564568976 15.999 31 O 0.57723963931525 0.48067518124381 0.42940564568976 15.999 32 O 0.07723963931525 0.01932481875619 0.57059435431024 15.999 33 O 0.57723963931525 0.01932481875619 0.92940564568976 15.999 34 O 0.07723963931525 0.48067518124381 0.07059435431024 15.999 35 O 0.42276036068475 0.51932481875619 0.57059435431024 15.999 36 O 0.92276036068475 0.98067518124381 0.42940564568976 15.999 37 O 0.56847264775712 0.02146879675813 0.21275152172613 15.999 38 O 0.06847264775712 0.47853120324187 0.78724847827387 15.999 39 O 0.43152735224288 0.52146879675813 0.28724847827387 15.999 40 O 0.70888668583180 0.20711313348096 0.63038243320221 15.999 41 Ca 0.50654281967155 0.54231459799819 0.06970481723590 40.078 42 Ca 0.00654281967155 0.95768540200181 0.93029518276410 40.078 43 Ca 0.49345718032845 0.04231459799819 0.43029518276410 40.078 44 Ca 0.99345718032845 0.45768540200181 0.56970481723590 40.078 45 Ca 0.49345718032845 0.45768540200181 0.93029518276410 40.078 46 Ca 0.99345718032845 0.04231459799819 0.06970481723590 40.078 47 Ca 0.50654281967155 0.95768540200181 0.56970481723590 40.078 48 Ca 0.00654281967155 0.54231459799819 0.43029518276410 40.078 49 Ca 0.99282548874975 0.95518288207955 0.20523148377496 40.078 50 Ca 0.49282548874975 0.54481711792045 0.79476851622504 40.078 51 Ca 0.00717451125025 0.45518288207955 0.29476851622504 40.078 52 Ca 0.50717451125025 0.04481711792045 0.70523148377496 40.078 53 Ca 0.49282548874975 0.95518288207955 0.29476851622504 40.078 54 Ca 0.99282548874975 0.54481711792045 0.70523148377496 40.078 55 Ca 0.50717451125025 0.45518288207955 0.20523148377496 40.078 56 Ca 0.00717451125025 0.04481711792045 0.79476851622504 40.078 57 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 58 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 59 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 60 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 61 Ti 0.50062040418626 0.99102171115167 0.14241573451985 47.867 62 Ti 0.00062040418626 0.50897828884833 0.85758426548015 47.867 63 Ti 0.49937959581374 0.49102171115167 0.35758426548015 47.867 64 Ti 0.99937959581374 0.00897828884833 0.64241573451985 47.867 65 Ti 0.49937959581374 0.00897828884833 0.85758426548015 47.867 66 Ti 0.99937959581374 0.49102171115167 0.14241573451985 47.867 67 Ti 0.50062040418626 0.50897828884833 0.64241573451985 47.867 68 Ti 0.00062040418626 0.99102171115167 0.35758426548015 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.741768060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.450814290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.868498480000000 Atomic positions (fractional): 1 O 0.35394705891588 0.20825853968245 0.51142423410893 15.999 > 1 2 O 0.85394705891588 0.20825853968245 0.51142423410893 15.999 > 1 3 O 0.10394705891588 0.29174146031755 0.48857576589107 15.999 > 3 4 O 0.60394705891588 0.29174146031755 0.48857576589107 15.999 > 3 5 O 0.14605294108412 0.70825853968245 0.98857576589107 15.999 > 5 6 O 0.64605294108412 0.70825853968245 0.98857576589107 15.999 > 5 7 O 0.39605294108412 0.79174146031755 0.01142423410893 15.999 > 7 8 O 0.89605294108412 0.79174146031755 0.01142423410893 15.999 > 7 9 O 0.14605294108412 0.79174146031755 0.48857576589107 15.999 > 9 10 O 0.64605294108412 0.79174146031755 0.48857576589107 15.999 > 9 11 O 0.39605294108412 0.70825853968245 0.51142423410893 15.999 > 11 12 O 0.89605294108412 0.70825853968245 0.51142423410893 15.999 > 11 13 O 0.35394705891588 0.29174146031755 0.01142423410893 15.999 > 13 14 O 0.85394705891588 0.29174146031755 0.01142423410893 15.999 > 13 15 O 0.10394705891588 0.20825853968245 0.98857576589107 15.999 > 15 16 O 0.60394705891588 0.20825853968245 0.98857576589107 15.999 > 15 17 O 0.39545638132241 0.71051124040962 0.34801895069320 15.999 > 17 18 O 0.89545638132241 0.71051124040962 0.34801895069320 15.999 > 17 19 O 0.14545638132241 0.78948875959038 0.65198104930680 15.999 > 19 20 O 0.64545638132241 0.78948875959038 0.65198104930680 15.999 > 19 21 O 0.10454361867759 0.21051124040962 0.15198104930680 15.999 > 21 22 O 0.60454361867759 0.21051124040962 0.15198104930680 15.999 > 21 23 O 0.35454361867759 0.28948875959038 0.84801895069320 15.999 > 23 24 O 0.85454361867759 0.28948875959038 0.84801895069320 15.999 > 23 25 O 0.10454361867759 0.28948875959038 0.65198104930680 15.999 > 25 26 O 0.60454361867759 0.28948875959038 0.65198104930680 15.999 > 25 27 O 0.35454361867759 0.21051124040962 0.34801895069320 15.999 > 27 28 O 0.85454361867759 0.21051124040962 0.34801895069320 15.999 > 27 29 O 0.39545638132241 0.78948875959038 0.84801895069320 15.999 > 29 30 O 0.89545638132241 0.78948875959038 0.84801895069320 15.999 > 29 31 O 0.14545638132241 0.71051124040962 0.15198104930680 15.999 > 31 32 O 0.64545638132241 0.71051124040962 0.15198104930680 15.999 > 31 33 O 0.46576367612144 0.97853120324187 0.71275152172613 15.999 > 33 34 O 0.96576367612144 0.97853120324187 0.71275152172613 15.999 > 33 35 O 0.10444334291590 0.29288686651904 0.36961756679779 15.999 > 35 36 O 0.60444334291590 0.29288686651904 0.36961756679779 15.999 > 35 37 O 0.39555665708410 0.79288686651904 0.13038243320221 15.999 > 37 38 O 0.89555665708410 0.79288686651904 0.13038243320221 15.999 > 37 39 O 0.14555665708410 0.70711313348096 0.86961756679779 15.999 > 39 40 O 0.64555665708410 0.70711313348096 0.86961756679779 15.999 > 39 41 O 0.39555665708410 0.70711313348096 0.63038243320221 15.999 > 41 42 O 0.89555665708410 0.70711313348096 0.63038243320221 15.999 > 41 43 O 0.14555665708410 0.79288686651904 0.36961756679779 15.999 > 43 44 O 0.64555665708410 0.79288686651904 0.36961756679779 15.999 > 43 45 O 0.10444334291590 0.20711313348096 0.86961756679779 15.999 > 45 46 O 0.60444334291590 0.20711313348096 0.86961756679779 15.999 > 45 47 O 0.35444334291590 0.29288686651904 0.13038243320221 15.999 > 47 48 O 0.85444334291590 0.29288686651904 0.13038243320221 15.999 > 47 49 O 0.03423632387856 0.02146879675813 0.28724847827387 15.999 > 49 50 O 0.53423632387856 0.02146879675813 0.28724847827387 15.999 > 49 51 O 0.28423632387856 0.47853120324187 0.71275152172613 15.999 > 51 52 O 0.78423632387856 0.47853120324187 0.71275152172613 15.999 > 51 53 O 0.46576367612144 0.52146879675813 0.21275152172613 15.999 > 53 54 O 0.96576367612144 0.52146879675813 0.21275152172613 15.999 > 53 55 O 0.21576367612144 0.97853120324187 0.78724847827387 15.999 > 55 56 O 0.71576367612144 0.97853120324187 0.78724847827387 15.999 > 55 57 O 0.21138018034237 0.98067518124381 0.07059435431024 15.999 > 57 58 O 0.71138018034237 0.98067518124381 0.07059435431024 15.999 > 57 59 O 0.46138018034237 0.51932481875619 0.92940564568976 15.999 > 59 60 O 0.96138018034237 0.51932481875619 0.92940564568976 15.999 > 59 61 O 0.28861981965763 0.48067518124381 0.42940564568976 15.999 > 61 62 O 0.78861981965763 0.48067518124381 0.42940564568976 15.999 > 61 63 O 0.03861981965763 0.01932481875619 0.57059435431024 15.999 > 63 64 O 0.53861981965763 0.01932481875619 0.57059435431024 15.999 > 63 65 O 0.28861981965763 0.01932481875619 0.92940564568976 15.999 > 65 66 O 0.78861981965763 0.01932481875619 0.92940564568976 15.999 > 65 67 O 0.03861981965763 0.48067518124381 0.07059435431024 15.999 > 67 68 O 0.53861981965763 0.48067518124381 0.07059435431024 15.999 > 67 69 O 0.21138018034237 0.51932481875619 0.57059435431024 15.999 > 69 70 O 0.71138018034237 0.51932481875619 0.57059435431024 15.999 > 69 71 O 0.46138018034237 0.98067518124381 0.42940564568976 15.999 > 71 72 O 0.96138018034237 0.98067518124381 0.42940564568976 15.999 > 71 73 O 0.28423632387856 0.02146879675813 0.21275152172613 15.999 > 73 74 O 0.78423632387856 0.02146879675813 0.21275152172613 15.999 > 73 75 O 0.03423632387856 0.47853120324187 0.78724847827387 15.999 > 75 76 O 0.53423632387856 0.47853120324187 0.78724847827387 15.999 > 75 77 O 0.21576367612144 0.52146879675813 0.28724847827387 15.999 > 77 78 O 0.71576367612144 0.52146879675813 0.28724847827387 15.999 > 77 79 O 0.35444334291590 0.20711313348096 0.63038243320221 15.999 > 79 80 O 0.85444334291590 0.20711313348096 0.63038243320221 15.999 > 79 81 Ca 0.25327140983577 0.54231459799819 0.06970481723590 40.078 > 81 82 Ca 0.75327140983577 0.54231459799819 0.06970481723590 40.078 > 81 83 Ca 0.00327140983577 0.95768540200181 0.93029518276410 40.078 > 83 84 Ca 0.50327140983577 0.95768540200181 0.93029518276410 40.078 > 83 85 Ca 0.24672859016423 0.04231459799819 0.43029518276410 40.078 > 85 86 Ca 0.74672859016423 0.04231459799819 0.43029518276410 40.078 > 85 87 Ca 0.49672859016423 0.45768540200181 0.56970481723590 40.078 > 87 88 Ca 0.99672859016423 0.45768540200181 0.56970481723590 40.078 > 87 89 Ca 0.24672859016423 0.45768540200181 0.93029518276410 40.078 > 89 90 Ca 0.74672859016423 0.45768540200181 0.93029518276410 40.078 > 89 91 Ca 0.49672859016423 0.04231459799819 0.06970481723590 40.078 > 91 92 Ca 0.99672859016423 0.04231459799819 0.06970481723590 40.078 > 91 93 Ca 0.25327140983577 0.95768540200181 0.56970481723590 40.078 > 93 94 Ca 0.75327140983577 0.95768540200181 0.56970481723590 40.078 > 93 95 Ca 0.00327140983577 0.54231459799819 0.43029518276410 40.078 > 95 96 Ca 0.50327140983577 0.54231459799819 0.43029518276410 40.078 > 95 97 Ca 0.49641274437488 0.95518288207955 0.20523148377496 40.078 > 97 98 Ca 0.99641274437488 0.95518288207955 0.20523148377496 40.078 > 97 99 Ca 0.24641274437488 0.54481711792045 0.79476851622504 40.078 > 99 100 Ca 0.74641274437488 0.54481711792045 0.79476851622504 40.078 > 99 101 Ca 0.00358725562512 0.45518288207955 0.29476851622504 40.078 > 101 102 Ca 0.50358725562512 0.45518288207955 0.29476851622504 40.078 > 101 103 Ca 0.25358725562512 0.04481711792045 0.70523148377496 40.078 > 103 104 Ca 0.75358725562512 0.04481711792045 0.70523148377496 40.078 > 103 105 Ca 0.24641274437488 0.95518288207955 0.29476851622504 40.078 > 105 106 Ca 0.74641274437488 0.95518288207955 0.29476851622504 40.078 > 105 107 Ca 0.49641274437488 0.54481711792045 0.70523148377496 40.078 > 107 108 Ca 0.99641274437488 0.54481711792045 0.70523148377496 40.078 > 107 109 Ca 0.25358725562512 0.45518288207955 0.20523148377496 40.078 > 109 110 Ca 0.75358725562512 0.45518288207955 0.20523148377496 40.078 > 109 111 Ca 0.00358725562512 0.04481711792045 0.79476851622504 40.078 > 111 112 Ca 0.50358725562512 0.04481711792045 0.79476851622504 40.078 > 111 113 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 113 114 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 113 115 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 115 116 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 115 117 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 117 118 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 117 119 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 119 120 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 119 121 Ti 0.25031020209313 0.99102171115167 0.14241573451985 47.867 > 121 122 Ti 0.75031020209313 0.99102171115167 0.14241573451985 47.867 > 121 123 Ti 0.00031020209313 0.50897828884833 0.85758426548015 47.867 > 123 124 Ti 0.50031020209313 0.50897828884833 0.85758426548015 47.867 > 123 125 Ti 0.24968979790687 0.49102171115167 0.35758426548015 47.867 > 125 126 Ti 0.74968979790687 0.49102171115167 0.35758426548015 47.867 > 125 127 Ti 0.49968979790687 0.00897828884833 0.64241573451985 47.867 > 127 128 Ti 0.99968979790687 0.00897828884833 0.64241573451985 47.867 > 127 129 Ti 0.24968979790687 0.00897828884833 0.85758426548015 47.867 > 129 130 Ti 0.74968979790687 0.00897828884833 0.85758426548015 47.867 > 129 131 Ti 0.49968979790687 0.49102171115167 0.14241573451985 47.867 > 131 132 Ti 0.99968979790687 0.49102171115167 0.14241573451985 47.867 > 131 133 Ti 0.25031020209313 0.50897828884833 0.64241573451985 47.867 > 133 134 Ti 0.75031020209313 0.50897828884833 0.64241573451985 47.867 > 133 135 Ti 0.00031020209313 0.99102171115167 0.35758426548015 47.867 > 135 136 Ti 0.50031020209313 0.99102171115167 0.35758426548015 47.867 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7847692 0.0000000 0.0000000 0.0000000 5.8215642 0.0000000 0.0000000 0.0000000 5.5431046 -------------------------- Born effective charges -------------------------- 1 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 2 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 3 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 4 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 5 O -3.6787909 1.6827463 -0.0055768 1.7473246 -3.7982958 0.0767404 -0.0016476 0.0854262 -1.6839732 6 O -3.6787909 -1.6827463 0.0055768 -1.7473246 -3.7982958 0.0767404 0.0016476 0.0854262 -1.6839732 7 O -3.6787909 -1.6827463 -0.0055768 -1.7473246 -3.7982958 -0.0767404 -0.0016476 -0.0854262 -1.6839732 8 O -3.6787909 1.6827463 0.0055768 1.7473246 -3.7982958 -0.0767404 0.0016476 -0.0854262 -1.6839732 9 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 10 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 11 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 12 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 13 O -3.6846484 -1.7142016 -0.0387295 -1.7139513 -3.7608562 -0.1192928 -0.0184091 -0.1250120 -1.6710949 14 O -3.6846484 1.7142016 0.0387295 1.7139513 -3.7608562 -0.1192928 0.0184091 -0.1250120 -1.6710949 15 O -3.6846484 1.7142016 -0.0387295 1.7139513 -3.7608562 0.1192928 -0.0184091 0.1250120 -1.6710949 16 O -3.6846484 -1.7142016 0.0387295 -1.7139513 -3.7608562 0.1192928 0.0184091 0.1250120 -1.6710949 17 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 18 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 19 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 20 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 21 O -3.5837333 -1.5238301 0.0679714 -1.6127105 -3.5502339 -0.0154251 -0.0145890 0.0113541 -1.7544178 22 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 23 O -3.5837333 1.5238301 0.0679714 1.6127105 -3.5502339 0.0154251 -0.0145890 -0.0113541 -1.7544178 24 O -3.5837333 -1.5238301 -0.0679714 -1.6127105 -3.5502339 0.0154251 0.0145890 -0.0113541 -1.7544178 25 O -2.0601896 -0.0010872 0.2209644 0.0884494 -1.9668023 0.0483255 0.1832597 0.0997966 -4.2759025 26 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 27 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 28 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 29 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 30 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 31 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 32 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 33 O -2.0832005 -0.0168548 0.0071288 0.1635706 -1.8713239 0.0576893 0.0111888 0.0559402 -4.8460540 34 O -2.0832005 0.0168548 -0.0071288 -0.1635706 -1.8713239 0.0576893 -0.0111888 0.0559402 -4.8460540 35 O -2.0832005 0.0168548 0.0071288 -0.1635706 -1.8713239 -0.0576893 0.0111888 -0.0559402 -4.8460540 36 O -2.0832005 -0.0168548 -0.0071288 0.1635706 -1.8713239 -0.0576893 -0.0111888 -0.0559402 -4.8460540 37 O -2.0601896 -0.0010872 -0.2209644 0.0884494 -1.9668023 -0.0483255 -0.1832597 -0.0997966 -4.2759025 38 O -2.0601896 0.0010872 0.2209644 -0.0884494 -1.9668023 -0.0483255 0.1832597 -0.0997966 -4.2759025 39 O -2.0601896 0.0010872 -0.2209644 -0.0884494 -1.9668023 0.0483255 -0.1832597 0.0997966 -4.2759025 40 O -3.5837333 1.5238301 -0.0679714 1.6127105 -3.5502339 -0.0154251 0.0145890 0.0113541 -1.7544178 41 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 42 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 43 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 44 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 45 Ca 2.4918653 -0.1793190 0.0196655 -0.1627316 2.4315414 0.0658501 0.0080822 0.0040401 2.1293176 46 Ca 2.4918653 0.1793190 -0.0196655 0.1627316 2.4315414 0.0658501 -0.0080822 0.0040401 2.1293176 47 Ca 2.4918653 0.1793190 0.0196655 0.1627316 2.4315414 -0.0658501 0.0080822 -0.0040401 2.1293176 48 Ca 2.4918653 -0.1793190 -0.0196655 -0.1627316 2.4315414 -0.0658501 -0.0080822 -0.0040401 2.1293176 49 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 50 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 51 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 52 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 53 Ca 2.3518955 0.0281730 0.0112078 0.1237996 2.3021319 0.0781213 -0.1847669 -0.1252180 3.0190362 54 Ca 2.3518955 -0.0281730 -0.0112078 -0.1237996 2.3021319 0.0781213 0.1847669 -0.1252180 3.0190362 55 Ca 2.3518955 -0.0281730 0.0112078 -0.1237996 2.3021319 -0.0781213 -0.1847669 0.1252180 3.0190362 56 Ca 2.3518955 0.0281730 -0.0112078 0.1237996 2.3021319 -0.0781213 0.1847669 0.1252180 3.0190362 57 Ti 6.9307948 -0.6595252 -0.8058762 0.4749135 7.0217170 -0.1025677 0.6549155 -0.1890807 6.1507662 58 Ti 6.9307948 0.6595252 0.8058762 -0.4749135 7.0217170 -0.1025677 -0.6549155 -0.1890807 6.1507662 59 Ti 6.9307948 0.6595252 -0.8058762 -0.4749135 7.0217170 0.1025677 0.6549155 0.1890807 6.1507662 60 Ti 6.9307948 -0.6595252 0.8058762 0.4749135 7.0217170 0.1025677 -0.6549155 0.1890807 6.1507662 61 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 62 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 63 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 64 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 65 Ti 6.7814044 0.6050158 -0.5692442 -0.4178772 6.7029803 0.1193101 0.5956215 0.2254800 6.0077054 66 Ti 6.7814044 -0.6050158 0.5692442 0.4178772 6.7029803 0.1193101 -0.5956215 0.2254800 6.0077054 67 Ti 6.7814044 -0.6050158 -0.5692442 0.4178772 6.7029803 -0.1193101 0.5956215 -0.2254800 6.0077054 68 Ti 6.7814044 0.6050158 0.5692442 -0.4178772 6.7029803 -0.1193101 -0.5956215 -0.2254800 6.0077054 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 2 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 317, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.571 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.931 ( 0.000 0.000 0.000) 0.000 10.943 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.305 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 13.558 ( 0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 14.108 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.260 ( 0.000 0.000 0.000) 0.000 14.314 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.530 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 14.956 ( 0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.232 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 15.285 ( 0.000 0.000 0.000) 0.000 15.331 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 15.477 ( 0.000 0.000 0.000) 0.000 15.491 ( 0.000 0.000 0.000) 0.000 15.509 ( 0.000 0.000 0.000) 0.000 15.524 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.832 ( 0.000 0.000 0.000) 0.000 15.887 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.526 ( 0.000 0.000 0.000) 0.000 19.208 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 20.723 ( 0.000 0.000 0.000) 0.000 21.935 ( 0.000 0.000 0.000) 0.000 21.955 ( 0.000 0.000 0.000) 0.000 22.319 ( 0.000 0.000 0.000) 0.000 22.442 ( 0.000 0.000 0.000) 0.000 23.056 ( 0.000 0.000 0.000) 0.000 23.063 ( 0.000 0.000 0.000) 0.000 23.548 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 0.000) 0.000 23.743 ( 0.000 0.000 0.000) 0.000 23.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 42.828 0.000 0.000) 42.828 0.944 ( 44.577 0.000 0.000) 44.577 1.527 ( -7.266 0.000 0.000) 7.266 1.661 ( 72.971 0.000 0.000) 72.971 1.805 ( 27.041 0.000 0.000) 27.041 1.881 ( 32.310 0.000 0.000) 32.310 2.090 ( 14.645 0.000 0.000) 14.645 2.720 ( 33.555 0.000 0.000) 33.555 2.829 ( 13.487 0.000 0.000) 13.487 2.834 ( 12.303 0.000 0.000) 12.303 2.958 ( 17.256 0.000 0.000) 17.256 3.087 ( 34.463 0.000 0.000) 34.463 3.171 ( 38.138 0.000 0.000) 38.138 3.293 ( 45.458 0.000 0.000) 45.458 3.547 ( 30.585 0.000 0.000) 30.585 3.722 ( 7.083 0.000 0.000) 7.083 3.738 ( 16.485 0.000 0.000) 16.485 3.786 ( -8.393 0.000 0.000) 8.393 3.948 ( 10.266 0.000 0.000) 10.266 4.128 ( 0.778 0.000 0.000) 0.778 4.182 ( 0.777 0.000 0.000) 0.777 4.282 ( 5.236 0.000 0.000) 5.236 4.294 ( 7.040 0.000 0.000) 7.040 4.509 ( 3.747 0.000 0.000) 3.747 4.551 ( 12.476 0.000 0.000) 12.476 4.575 ( -5.472 0.000 0.000) 5.472 4.579 ( 12.814 0.000 0.000) 12.814 4.698 ( 0.253 0.000 0.000) 0.253 4.700 ( -10.870 0.000 0.000) 10.870 4.732 ( -9.426 0.000 0.000) 9.426 4.825 ( -17.553 0.000 0.000) 17.553 4.869 ( 2.503 0.000 0.000) 2.503 4.880 ( 1.678 0.000 0.000) 1.678 4.942 ( -12.727 0.000 0.000) 12.727 4.943 ( 10.646 0.000 0.000) 10.646 5.101 ( -7.705 0.000 0.000) 7.705 5.184 ( 9.055 0.000 0.000) 9.055 5.302 ( -0.992 0.000 0.000) 0.992 5.310 ( 7.724 0.000 0.000) 7.724 5.311 ( 2.944 0.000 0.000) 2.944 5.393 ( 4.965 0.000 0.000) 4.965 5.415 ( 8.055 0.000 0.000) 8.055 5.438 ( -9.314 0.000 0.000) 9.314 5.525 ( 1.822 0.000 0.000) 1.822 5.533 ( 9.931 0.000 0.000) 9.931 5.590 ( 5.139 0.000 0.000) 5.139 5.599 ( 5.884 0.000 0.000) 5.884 5.635 ( 10.430 0.000 0.000) 10.430 5.643 ( 3.013 0.000 0.000) 3.013 5.770 ( -2.154 0.000 0.000) 2.154 5.801 ( 17.993 0.000 0.000) 17.993 5.877 ( 1.801 0.000 0.000) 1.801 5.891 ( 7.912 0.000 0.000) 7.912 5.990 ( 11.936 0.000 0.000) 11.936 5.994 ( 18.127 0.000 0.000) 18.127 5.998 ( 8.651 0.000 0.000) 8.651 6.062 ( 11.993 0.000 0.000) 11.993 6.126 ( -1.718 0.000 0.000) 1.718 6.241 ( 4.701 0.000 0.000) 4.701 6.315 ( -3.011 0.000 0.000) 3.011 6.351 ( -3.347 0.000 0.000) 3.347 6.418 ( 9.639 0.000 0.000) 9.639 6.491 ( 5.760 0.000 0.000) 5.760 6.537 ( 12.361 0.000 0.000) 12.361 6.649 ( 3.734 0.000 0.000) 3.734 6.667 ( 10.572 0.000 0.000) 10.572 6.703 ( -9.233 0.000 0.000) 9.233 6.703 ( 9.710 0.000 0.000) 9.710 6.774 ( -0.648 0.000 0.000) 0.648 6.816 ( -6.728 0.000 0.000) 6.728 6.859 ( 16.404 0.000 0.000) 16.404 6.995 ( 2.785 0.000 0.000) 2.785 7.004 ( -1.887 0.000 0.000) 1.887 7.043 ( 5.264 0.000 0.000) 5.264 7.084 ( 4.664 0.000 0.000) 4.664 7.103 ( 21.048 0.000 0.000) 21.048 7.109 ( 5.289 0.000 0.000) 5.289 7.120 ( -1.452 0.000 0.000) 1.452 7.315 ( 13.277 0.000 0.000) 13.277 7.350 ( 2.486 0.000 0.000) 2.486 7.420 ( 8.689 0.000 0.000) 8.689 7.477 ( 6.446 0.000 0.000) 6.446 7.568 ( 24.236 0.000 0.000) 24.236 7.573 ( -0.666 0.000 0.000) 0.666 7.734 ( 17.157 0.000 0.000) 17.157 7.766 ( -4.437 0.000 0.000) 4.437 7.784 ( 4.205 0.000 0.000) 4.205 7.954 ( 1.375 0.000 0.000) 1.375 8.008 ( 6.010 0.000 0.000) 6.010 8.018 ( 2.680 0.000 0.000) 2.680 8.126 ( 3.797 0.000 0.000) 3.797 8.177 ( -4.925 0.000 0.000) 4.925 8.210 ( -0.607 0.000 0.000) 0.607 8.259 ( 11.908 0.000 0.000) 11.908 8.361 ( 14.260 0.000 0.000) 14.260 8.416 ( 7.768 0.000 0.000) 7.768 8.532 ( 0.168 0.000 0.000) 0.168 8.554 ( -15.391 0.000 0.000) 15.391 8.680 ( -12.553 0.000 0.000) 12.553 8.762 ( 7.350 0.000 0.000) 7.350 8.826 ( 5.236 0.000 0.000) 5.236 9.054 ( 6.717 0.000 0.000) 6.717 9.086 ( 5.065 0.000 0.000) 5.065 9.113 ( 6.022 0.000 0.000) 6.022 9.243 ( 4.679 0.000 0.000) 4.679 9.263 ( 3.148 0.000 0.000) 3.148 9.321 ( 4.537 0.000 0.000) 4.537 9.357 ( 8.299 0.000 0.000) 8.299 9.409 ( 12.380 0.000 0.000) 12.380 9.559 ( 4.851 0.000 0.000) 4.851 9.584 ( 4.841 0.000 0.000) 4.841 9.594 ( 5.013 0.000 0.000) 5.013 9.635 ( 14.288 0.000 0.000) 14.288 9.644 ( 6.092 0.000 0.000) 6.092 9.819 ( -1.518 0.000 0.000) 1.518 9.908 ( 1.618 0.000 0.000) 1.618 9.932 ( -3.790 0.000 0.000) 3.790 10.002 ( 13.273 0.000 0.000) 13.273 10.051 ( 6.033 0.000 0.000) 6.033 10.058 ( 8.122 0.000 0.000) 8.122 10.126 ( 1.018 0.000 0.000) 1.018 10.382 ( 10.498 0.000 0.000) 10.498 10.437 ( 4.256 0.000 0.000) 4.256 10.708 ( 15.581 0.000 0.000) 15.581 10.853 ( 6.590 0.000 0.000) 6.590 11.012 ( 2.936 0.000 0.000) 2.936 11.146 ( -10.664 0.000 0.000) 10.664 11.260 ( -2.344 0.000 0.000) 2.344 11.317 ( -2.035 0.000 0.000) 2.035 11.321 ( -5.140 0.000 0.000) 5.140 11.499 ( -1.376 0.000 0.000) 1.376 11.894 ( 2.422 0.000 0.000) 2.422 11.968 ( -10.249 0.000 0.000) 10.249 12.156 ( -5.999 0.000 0.000) 5.999 12.164 ( -11.048 0.000 0.000) 11.048 12.299 ( -13.621 0.000 0.000) 13.621 12.468 ( -9.780 0.000 0.000) 9.780 12.584 ( -10.702 0.000 0.000) 10.702 12.786 ( -9.858 0.000 0.000) 9.858 12.858 ( -11.952 0.000 0.000) 11.952 12.891 ( -10.209 0.000 0.000) 10.209 13.013 ( -15.027 0.000 0.000) 15.027 13.038 ( -9.168 0.000 0.000) 9.168 13.166 ( -8.649 0.000 0.000) 8.649 13.333 ( -8.575 0.000 0.000) 8.575 13.420 ( -4.397 0.000 0.000) 4.397 13.450 ( -3.515 0.000 0.000) 3.515 13.482 ( -18.088 0.000 0.000) 18.088 13.512 ( -26.515 0.000 0.000) 26.515 13.611 ( -12.443 0.000 0.000) 12.443 13.646 ( 4.828 0.000 0.000) 4.828 13.674 ( -1.812 0.000 0.000) 1.812 13.708 ( -5.425 0.000 0.000) 5.425 13.809 ( -1.274 0.000 0.000) 1.274 13.836 ( -1.075 0.000 0.000) 1.075 13.842 ( 3.190 0.000 0.000) 3.190 14.008 ( -2.482 0.000 0.000) 2.482 14.106 ( -3.296 0.000 0.000) 3.296 14.387 ( 5.339 0.000 0.000) 5.339 14.396 ( 12.298 0.000 0.000) 12.298 14.407 ( 7.816 0.000 0.000) 7.816 14.460 ( -0.415 0.000 0.000) 0.415 14.503 ( 3.056 0.000 0.000) 3.056 14.581 ( 8.057 0.000 0.000) 8.057 14.599 ( 5.465 0.000 0.000) 5.465 14.621 ( 2.605 0.000 0.000) 2.605 14.729 ( 10.482 0.000 0.000) 10.482 14.866 ( 13.461 0.000 0.000) 13.461 14.981 ( 2.366 0.000 0.000) 2.366 14.993 ( 1.880 0.000 0.000) 1.880 15.170 ( 4.190 0.000 0.000) 4.190 15.211 ( -2.144 0.000 0.000) 2.144 15.254 ( -3.144 0.000 0.000) 3.144 15.298 ( 3.896 0.000 0.000) 3.896 15.357 ( 2.364 0.000 0.000) 2.364 15.360 ( 0.511 0.000 0.000) 0.511 15.473 ( -1.391 0.000 0.000) 1.391 15.477 ( 0.629 0.000 0.000) 0.629 15.540 ( 1.442 0.000 0.000) 1.442 15.550 ( 4.151 0.000 0.000) 4.151 15.572 ( 3.784 0.000 0.000) 3.784 15.633 ( 1.546 0.000 0.000) 1.546 15.785 ( -11.345 0.000 0.000) 11.345 15.794 ( -4.111 0.000 0.000) 4.111 15.830 ( -7.028 0.000 0.000) 7.028 15.904 ( 1.356 0.000 0.000) 1.356 16.396 ( -1.225 0.000 0.000) 1.225 16.398 ( -0.679 0.000 0.000) 0.679 16.503 ( 2.695 0.000 0.000) 2.695 16.543 ( 1.721 0.000 0.000) 1.721 19.065 ( -13.833 0.000 0.000) 13.833 19.435 ( -19.874 0.000 0.000) 19.874 21.029 ( 23.502 0.000 0.000) 23.502 21.989 ( 3.839 0.000 0.000) 3.839 22.158 ( 17.464 0.000 0.000) 17.464 22.168 ( -3.922 0.000 0.000) 3.922 22.203 ( -5.084 0.000 0.000) 5.084 22.551 ( 5.887 0.000 0.000) 5.887 23.067 ( 0.843 0.000 0.000) 0.843 23.087 ( 2.006 0.000 0.000) 2.006 23.576 ( 1.913 0.000 0.000) 1.913 23.597 ( 2.473 0.000 0.000) 2.473 23.764 ( 1.074 0.000 0.000) 1.074 23.776 ( 2.623 0.000 0.000) 2.623 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 15.971 0.000 0.000) 15.971 1.740 ( 36.534 0.000 0.000) 36.534 1.916 ( 39.098 0.000 0.000) 39.098 2.462 ( 16.505 0.000 0.000) 16.505 2.462 ( 33.262 0.000 0.000) 33.262 2.546 ( 30.268 0.000 0.000) 30.268 2.718 ( 21.458 0.000 0.000) 21.458 3.042 ( 5.623 0.000 0.000) 5.623 3.187 ( 18.342 0.000 0.000) 18.342 3.255 ( 10.247 0.000 0.000) 10.247 3.262 ( 13.875 0.000 0.000) 13.875 3.687 ( 5.894 0.000 0.000) 5.894 3.766 ( -1.820 0.000 0.000) 1.820 3.766 ( 22.389 0.000 0.000) 22.389 3.795 ( 13.727 0.000 0.000) 13.727 3.881 ( 8.505 0.000 0.000) 8.505 3.928 ( 8.743 0.000 0.000) 8.743 4.138 ( -1.426 0.000 0.000) 1.426 4.143 ( -4.953 0.000 0.000) 4.953 4.185 ( -10.077 0.000 0.000) 10.077 4.207 ( -2.529 0.000 0.000) 2.529 4.294 ( 6.489 0.000 0.000) 6.489 4.306 ( 4.658 0.000 0.000) 4.658 4.396 ( -9.872 0.000 0.000) 9.872 4.438 ( -14.787 0.000 0.000) 14.787 4.538 ( -12.999 0.000 0.000) 12.999 4.550 ( 9.253 0.000 0.000) 9.253 4.552 ( 0.097 0.000 0.000) 0.097 4.602 ( 0.829 0.000 0.000) 0.829 4.719 ( 2.621 0.000 0.000) 2.621 4.851 ( 14.708 0.000 0.000) 14.708 4.867 ( 2.749 0.000 0.000) 2.749 4.918 ( 0.261 0.000 0.000) 0.261 4.986 ( 4.585 0.000 0.000) 4.585 5.051 ( 12.272 0.000 0.000) 12.272 5.081 ( -22.095 0.000 0.000) 22.095 5.247 ( 20.893 0.000 0.000) 20.893 5.313 ( -3.251 0.000 0.000) 3.251 5.375 ( 1.050 0.000 0.000) 1.050 5.379 ( 4.382 0.000 0.000) 4.382 5.426 ( 0.463 0.000 0.000) 0.463 5.428 ( 8.442 0.000 0.000) 8.442 5.516 ( 5.022 0.000 0.000) 5.022 5.521 ( 1.380 0.000 0.000) 1.380 5.573 ( 6.620 0.000 0.000) 6.620 5.596 ( 7.687 0.000 0.000) 7.687 5.660 ( 12.680 0.000 0.000) 12.680 5.754 ( 2.282 0.000 0.000) 2.282 5.860 ( 2.465 0.000 0.000) 2.465 5.964 ( 17.346 0.000 0.000) 17.346 5.971 ( 5.057 0.000 0.000) 5.057 6.054 ( 0.512 0.000 0.000) 0.512 6.107 ( -1.237 0.000 0.000) 1.237 6.125 ( 1.475 0.000 0.000) 1.475 6.139 ( 5.237 0.000 0.000) 5.237 6.144 ( 6.672 0.000 0.000) 6.672 6.235 ( -5.432 0.000 0.000) 5.432 6.241 ( 13.133 0.000 0.000) 13.133 6.245 ( -6.225 0.000 0.000) 6.225 6.302 ( 25.524 0.000 0.000) 25.524 6.318 ( 3.676 0.000 0.000) 3.676 6.397 ( -3.431 0.000 0.000) 3.431 6.479 ( -7.580 0.000 0.000) 7.580 6.598 ( -5.245 0.000 0.000) 5.245 6.668 ( 6.549 0.000 0.000) 6.549 6.675 ( -8.008 0.000 0.000) 8.008 6.740 ( -6.752 0.000 0.000) 6.752 6.867 ( 8.345 0.000 0.000) 8.345 6.871 ( 10.006 0.000 0.000) 10.006 6.946 ( 10.565 0.000 0.000) 10.565 6.991 ( 11.437 0.000 0.000) 11.437 7.018 ( 12.287 0.000 0.000) 12.287 7.181 ( 23.781 0.000 0.000) 23.781 7.352 ( 22.962 0.000 0.000) 22.962 7.362 ( 9.968 0.000 0.000) 9.968 7.383 ( 23.385 0.000 0.000) 23.385 7.417 ( -2.994 0.000 0.000) 2.994 7.473 ( 18.965 0.000 0.000) 18.965 7.475 ( -3.229 0.000 0.000) 3.229 7.591 ( 8.292 0.000 0.000) 8.292 7.632 ( 4.368 0.000 0.000) 4.368 7.758 ( 1.271 0.000 0.000) 1.271 7.777 ( 10.788 0.000 0.000) 10.788 7.852 ( 22.378 0.000 0.000) 22.378 7.866 ( 19.884 0.000 0.000) 19.884 7.996 ( -6.487 0.000 0.000) 6.487 8.025 ( -5.965 0.000 0.000) 5.965 8.066 ( 4.876 0.000 0.000) 4.876 8.101 ( 20.945 0.000 0.000) 20.945 8.110 ( -5.846 0.000 0.000) 5.846 8.193 ( 22.598 0.000 0.000) 22.598 8.233 ( 0.424 0.000 0.000) 0.424 8.308 ( 2.745 0.000 0.000) 2.745 8.393 ( 5.642 0.000 0.000) 5.642 8.436 ( 40.395 0.000 0.000) 40.395 8.641 ( 12.502 0.000 0.000) 12.502 8.654 ( 15.388 0.000 0.000) 15.388 8.714 ( 7.028 0.000 0.000) 7.028 8.737 ( 15.178 0.000 0.000) 15.178 8.787 ( 26.720 0.000 0.000) 26.720 9.065 ( 0.860 0.000 0.000) 0.860 9.182 ( 8.013 0.000 0.000) 8.013 9.255 ( 9.917 0.000 0.000) 9.917 9.283 ( 12.462 0.000 0.000) 12.462 9.379 ( 5.950 0.000 0.000) 5.950 9.432 ( 6.968 0.000 0.000) 6.968 9.483 ( -3.033 0.000 0.000) 3.033 9.588 ( 9.870 0.000 0.000) 9.870 9.612 ( 0.062 0.000 0.000) 0.062 9.615 ( 25.311 0.000 0.000) 25.311 9.694 ( -1.601 0.000 0.000) 1.601 9.703 ( 3.083 0.000 0.000) 3.083 9.870 ( 15.824 0.000 0.000) 15.824 9.914 ( 13.758 0.000 0.000) 13.758 9.959 ( 12.898 0.000 0.000) 12.898 10.006 ( 17.373 0.000 0.000) 17.373 10.135 ( 16.052 0.000 0.000) 16.052 10.219 ( 10.604 0.000 0.000) 10.604 10.229 ( 9.866 0.000 0.000) 9.866 10.289 ( 11.704 0.000 0.000) 11.704 10.360 ( 27.481 0.000 0.000) 27.481 10.580 ( 6.063 0.000 0.000) 6.063 10.602 ( 12.326 0.000 0.000) 12.326 10.748 ( -16.635 0.000 0.000) 16.635 10.861 ( -15.689 0.000 0.000) 15.689 10.952 ( 3.208 0.000 0.000) 3.208 11.152 ( 10.587 0.000 0.000) 10.587 11.191 ( -6.247 0.000 0.000) 6.247 11.366 ( 13.870 0.000 0.000) 13.870 11.443 ( -3.913 0.000 0.000) 3.913 11.445 ( 10.856 0.000 0.000) 10.856 11.629 ( -20.517 0.000 0.000) 20.517 11.800 ( -10.633 0.000 0.000) 10.633 11.841 ( -18.748 0.000 0.000) 18.748 11.925 ( -15.678 0.000 0.000) 15.678 12.108 ( 1.361 0.000 0.000) 1.361 12.201 ( -17.998 0.000 0.000) 17.998 12.261 ( -18.660 0.000 0.000) 18.660 12.467 ( -20.660 0.000 0.000) 20.660 12.511 ( -19.364 0.000 0.000) 19.364 12.614 ( -21.394 0.000 0.000) 21.394 12.646 ( -19.863 0.000 0.000) 19.863 12.766 ( -15.913 0.000 0.000) 15.913 12.832 ( -21.870 0.000 0.000) 21.870 12.974 ( -13.573 0.000 0.000) 13.573 13.007 ( -21.417 0.000 0.000) 21.417 13.135 ( -15.494 0.000 0.000) 15.494 13.221 ( -23.776 0.000 0.000) 23.776 13.339 ( -20.258 0.000 0.000) 20.258 13.399 ( -22.169 0.000 0.000) 22.169 13.476 ( 2.711 0.000 0.000) 2.711 13.559 ( 2.527 0.000 0.000) 2.527 13.680 ( -1.813 0.000 0.000) 1.813 13.774 ( -1.540 0.000 0.000) 1.540 13.925 ( 1.911 0.000 0.000) 1.911 13.948 ( 4.398 0.000 0.000) 4.398 14.023 ( 14.512 0.000 0.000) 14.512 14.200 ( 6.163 0.000 0.000) 6.163 14.422 ( -2.634 0.000 0.000) 2.634 14.444 ( -0.134 0.000 0.000) 0.134 14.482 ( 4.048 0.000 0.000) 4.048 14.572 ( 7.343 0.000 0.000) 7.343 14.650 ( 1.290 0.000 0.000) 1.290 14.733 ( 6.213 0.000 0.000) 6.213 14.738 ( 6.161 0.000 0.000) 6.161 14.766 ( 14.079 0.000 0.000) 14.079 14.931 ( 7.648 0.000 0.000) 7.648 15.034 ( 2.062 0.000 0.000) 2.062 15.051 ( 4.408 0.000 0.000) 4.408 15.088 ( 4.661 0.000 0.000) 4.661 15.171 ( -0.600 0.000 0.000) 0.600 15.172 ( -2.238 0.000 0.000) 2.238 15.257 ( 3.818 0.000 0.000) 3.818 15.362 ( 1.597 0.000 0.000) 1.597 15.395 ( 2.698 0.000 0.000) 2.698 15.421 ( 3.658 0.000 0.000) 3.658 15.424 ( -3.595 0.000 0.000) 3.595 15.502 ( -0.284 0.000 0.000) 0.284 15.565 ( 0.068 0.000 0.000) 0.068 15.653 ( 3.190 0.000 0.000) 3.190 15.655 ( 2.439 0.000 0.000) 2.439 15.679 ( 2.784 0.000 0.000) 2.784 15.702 ( -1.459 0.000 0.000) 1.459 15.710 ( 5.965 0.000 0.000) 5.965 15.720 ( -1.653 0.000 0.000) 1.653 15.917 ( -0.488 0.000 0.000) 0.488 16.348 ( -3.546 0.000 0.000) 3.546 16.366 ( -2.608 0.000 0.000) 2.608 16.592 ( 6.385 0.000 0.000) 6.385 16.605 ( 4.560 0.000 0.000) 4.560 18.673 ( -22.576 0.000 0.000) 22.576 18.894 ( -30.550 0.000 0.000) 30.550 21.569 ( 28.354 0.000 0.000) 28.354 22.140 ( 11.187 0.000 0.000) 11.187 22.194 ( 6.959 0.000 0.000) 6.959 22.257 ( 9.913 0.000 0.000) 9.913 22.489 ( 13.071 0.000 0.000) 13.071 22.640 ( 3.181 0.000 0.000) 3.181 23.077 ( -0.241 0.000 0.000) 0.241 23.126 ( 1.238 0.000 0.000) 1.238 23.607 ( 0.283 0.000 0.000) 0.283 23.637 ( 0.558 0.000 0.000) 0.558 23.766 ( -1.742 0.000 0.000) 1.742 23.814 ( -0.023 0.000 0.000) 0.023 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 15.569 0.000 0.000) 15.569 2.329 ( 16.875 0.000 0.000) 16.875 2.472 ( -11.130 0.000 0.000) 11.130 2.666 ( 31.447 0.000 0.000) 31.447 3.030 ( 4.952 0.000 0.000) 4.952 3.034 ( 12.889 0.000 0.000) 12.889 3.072 ( 22.327 0.000 0.000) 22.327 3.099 ( 13.551 0.000 0.000) 13.551 3.306 ( -14.305 0.000 0.000) 14.305 3.319 ( -0.440 0.000 0.000) 0.440 3.350 ( -0.676 0.000 0.000) 0.676 3.616 ( -9.645 0.000 0.000) 9.645 3.722 ( 0.663 0.000 0.000) 0.663 3.765 ( -5.262 0.000 0.000) 5.262 3.806 ( -11.421 0.000 0.000) 11.421 3.959 ( -6.389 0.000 0.000) 6.389 3.961 ( -1.332 0.000 0.000) 1.332 4.000 ( -8.112 0.000 0.000) 8.112 4.024 ( -5.338 0.000 0.000) 5.338 4.123 ( -2.994 0.000 0.000) 2.994 4.164 ( 5.349 0.000 0.000) 5.349 4.214 ( -5.822 0.000 0.000) 5.822 4.224 ( -4.259 0.000 0.000) 4.259 4.323 ( 7.122 0.000 0.000) 7.122 4.375 ( -16.656 0.000 0.000) 16.656 4.382 ( 7.454 0.000 0.000) 7.454 4.499 ( -11.237 0.000 0.000) 11.237 4.560 ( 3.046 0.000 0.000) 3.046 4.623 ( -4.538 0.000 0.000) 4.538 4.718 ( -7.337 0.000 0.000) 7.337 4.756 ( -1.087 0.000 0.000) 1.087 4.864 ( 0.526 0.000 0.000) 0.526 4.906 ( 5.266 0.000 0.000) 5.266 5.026 ( 0.136 0.000 0.000) 0.136 5.146 ( -1.699 0.000 0.000) 1.699 5.173 ( 12.147 0.000 0.000) 12.147 5.241 ( -9.106 0.000 0.000) 9.106 5.272 ( -0.612 0.000 0.000) 0.612 5.472 ( 2.080 0.000 0.000) 2.080 5.522 ( 8.366 0.000 0.000) 8.366 5.610 ( 7.878 0.000 0.000) 7.878 5.649 ( -1.657 0.000 0.000) 1.657 5.655 ( 0.515 0.000 0.000) 0.515 5.704 ( 4.399 0.000 0.000) 4.399 5.749 ( 11.635 0.000 0.000) 11.635 5.776 ( 1.522 0.000 0.000) 1.522 5.902 ( -7.150 0.000 0.000) 7.150 5.944 ( 6.135 0.000 0.000) 6.135 5.949 ( 2.649 0.000 0.000) 2.649 5.992 ( -4.242 0.000 0.000) 4.242 5.994 ( -1.752 0.000 0.000) 1.752 6.015 ( -6.147 0.000 0.000) 6.147 6.083 ( 19.111 0.000 0.000) 19.111 6.137 ( -2.108 0.000 0.000) 2.108 6.139 ( -3.155 0.000 0.000) 3.155 6.216 ( 10.703 0.000 0.000) 10.703 6.327 ( -5.669 0.000 0.000) 5.669 6.382 ( -8.709 0.000 0.000) 8.709 6.413 ( 16.046 0.000 0.000) 16.046 6.434 ( 18.883 0.000 0.000) 18.883 6.507 ( 14.445 0.000 0.000) 14.445 6.592 ( 20.716 0.000 0.000) 20.716 6.602 ( 13.720 0.000 0.000) 13.720 6.648 ( 11.473 0.000 0.000) 11.473 6.683 ( 28.937 0.000 0.000) 28.937 6.794 ( 8.702 0.000 0.000) 8.702 6.942 ( 0.954 0.000 0.000) 0.954 7.008 ( 3.906 0.000 0.000) 3.906 7.023 ( 19.320 0.000 0.000) 19.320 7.084 ( 0.774 0.000 0.000) 0.774 7.233 ( 8.714 0.000 0.000) 8.714 7.233 ( 6.539 0.000 0.000) 6.539 7.357 ( 1.817 0.000 0.000) 1.817 7.367 ( -3.723 0.000 0.000) 3.723 7.486 ( -1.788 0.000 0.000) 1.788 7.503 ( -5.256 0.000 0.000) 5.256 7.573 ( 6.504 0.000 0.000) 6.504 7.604 ( -3.241 0.000 0.000) 3.241 7.706 ( -15.196 0.000 0.000) 15.196 7.758 ( -3.726 0.000 0.000) 3.726 7.786 ( -4.828 0.000 0.000) 4.828 7.805 ( 4.693 0.000 0.000) 4.693 7.919 ( 31.177 0.000 0.000) 31.177 8.069 ( 24.577 0.000 0.000) 24.577 8.100 ( 19.878 0.000 0.000) 19.878 8.106 ( -7.093 0.000 0.000) 7.093 8.169 ( 12.143 0.000 0.000) 12.143 8.298 ( 27.966 0.000 0.000) 27.966 8.361 ( 22.169 0.000 0.000) 22.169 8.385 ( 38.909 0.000 0.000) 38.909 8.419 ( 2.223 0.000 0.000) 2.223 8.653 ( 11.684 0.000 0.000) 11.684 8.655 ( 20.128 0.000 0.000) 20.128 8.697 ( 16.524 0.000 0.000) 16.524 8.913 ( 35.361 0.000 0.000) 35.361 8.984 ( 17.266 0.000 0.000) 17.266 9.041 ( 14.113 0.000 0.000) 14.113 9.045 ( 0.108 0.000 0.000) 0.108 9.064 ( 31.847 0.000 0.000) 31.847 9.109 ( 3.440 0.000 0.000) 3.440 9.279 ( -12.281 0.000 0.000) 12.281 9.354 ( -9.223 0.000 0.000) 9.223 9.395 ( 25.963 0.000 0.000) 25.963 9.507 ( 11.858 0.000 0.000) 11.858 9.518 ( 13.262 0.000 0.000) 13.262 9.635 ( 17.582 0.000 0.000) 17.582 9.639 ( 2.415 0.000 0.000) 2.415 9.673 ( 3.393 0.000 0.000) 3.393 9.688 ( 22.958 0.000 0.000) 22.958 9.755 ( 12.127 0.000 0.000) 12.127 9.761 ( 1.642 0.000 0.000) 1.642 10.053 ( 17.074 0.000 0.000) 17.074 10.168 ( 4.683 0.000 0.000) 4.683 10.245 ( 13.580 0.000 0.000) 13.580 10.276 ( -0.565 0.000 0.000) 0.565 10.335 ( 16.795 0.000 0.000) 16.795 10.407 ( 1.265 0.000 0.000) 1.265 10.414 ( -10.314 0.000 0.000) 10.314 10.418 ( 13.571 0.000 0.000) 13.571 10.424 ( 3.934 0.000 0.000) 3.934 10.448 ( -16.302 0.000 0.000) 16.302 10.518 ( 17.349 0.000 0.000) 17.349 10.637 ( 11.336 0.000 0.000) 11.336 10.899 ( 14.552 0.000 0.000) 14.552 10.999 ( 18.660 0.000 0.000) 18.660 11.042 ( -15.224 0.000 0.000) 15.224 11.081 ( 7.734 0.000 0.000) 7.734 11.177 ( -11.692 0.000 0.000) 11.692 11.256 ( -14.087 0.000 0.000) 14.087 11.324 ( 1.977 0.000 0.000) 1.977 11.452 ( -6.082 0.000 0.000) 6.082 11.458 ( 2.556 0.000 0.000) 2.556 11.528 ( -4.879 0.000 0.000) 4.879 11.730 ( -24.647 0.000 0.000) 24.647 11.762 ( 3.960 0.000 0.000) 3.960 11.807 ( -21.509 0.000 0.000) 21.509 11.895 ( -21.382 0.000 0.000) 21.382 11.907 ( -10.538 0.000 0.000) 10.538 12.024 ( -29.494 0.000 0.000) 29.494 12.159 ( -20.573 0.000 0.000) 20.573 12.336 ( -24.423 0.000 0.000) 24.423 12.355 ( 16.659 0.000 0.000) 16.659 12.410 ( -26.792 0.000 0.000) 26.792 12.449 ( 16.168 0.000 0.000) 16.168 12.500 ( -22.863 0.000 0.000) 22.863 12.714 ( -38.796 0.000 0.000) 38.796 12.739 ( -32.051 0.000 0.000) 32.051 12.775 ( -17.106 0.000 0.000) 17.106 12.783 ( -11.807 0.000 0.000) 11.807 12.824 ( -9.669 0.000 0.000) 9.669 13.573 ( 1.265 0.000 0.000) 1.265 13.589 ( -7.536 0.000 0.000) 7.536 13.714 ( 8.636 0.000 0.000) 8.636 13.765 ( 1.029 0.000 0.000) 1.029 13.989 ( 1.932 0.000 0.000) 1.932 13.994 ( 0.152 0.000 0.000) 0.152 14.309 ( 12.144 0.000 0.000) 12.144 14.309 ( 3.144 0.000 0.000) 3.144 14.418 ( 5.439 0.000 0.000) 5.439 14.469 ( 2.550 0.000 0.000) 2.550 14.541 ( 1.586 0.000 0.000) 1.586 14.692 ( 2.766 0.000 0.000) 2.766 14.713 ( 6.878 0.000 0.000) 6.878 14.813 ( 1.463 0.000 0.000) 1.463 14.824 ( 2.368 0.000 0.000) 2.368 14.945 ( -1.602 0.000 0.000) 1.602 15.027 ( -0.721 0.000 0.000) 0.721 15.044 ( 3.387 0.000 0.000) 3.387 15.096 ( 3.289 0.000 0.000) 3.289 15.144 ( 3.576 0.000 0.000) 3.576 15.191 ( 2.482 0.000 0.000) 2.482 15.199 ( -2.199 0.000 0.000) 2.199 15.317 ( 0.366 0.000 0.000) 0.366 15.323 ( -4.745 0.000 0.000) 4.745 15.392 ( -4.746 0.000 0.000) 4.746 15.393 ( 0.781 0.000 0.000) 0.781 15.430 ( 1.724 0.000 0.000) 1.724 15.496 ( 3.343 0.000 0.000) 3.343 15.596 ( 1.298 0.000 0.000) 1.298 15.637 ( -1.802 0.000 0.000) 1.802 15.741 ( 3.064 0.000 0.000) 3.064 15.749 ( 6.244 0.000 0.000) 6.244 15.768 ( 3.299 0.000 0.000) 3.299 15.777 ( 6.320 0.000 0.000) 6.320 15.866 ( 6.466 0.000 0.000) 6.466 15.891 ( -1.443 0.000 0.000) 1.443 16.246 ( -6.356 0.000 0.000) 6.356 16.284 ( -5.426 0.000 0.000) 5.426 16.758 ( 11.147 0.000 0.000) 11.147 16.802 ( 14.665 0.000 0.000) 14.665 18.181 ( -24.326 0.000 0.000) 24.326 18.237 ( -31.830 0.000 0.000) 31.830 22.181 ( 29.556 0.000 0.000) 29.556 22.438 ( 15.029 0.000 0.000) 15.029 22.441 ( 16.743 0.000 0.000) 16.743 22.543 ( 15.732 0.000 0.000) 15.732 22.716 ( 10.158 0.000 0.000) 10.158 22.717 ( 5.468 0.000 0.000) 5.468 23.052 ( -1.980 0.000 0.000) 1.980 23.127 ( -0.953 0.000 0.000) 0.953 23.562 ( -5.028 0.000 0.000) 5.028 23.589 ( -5.716 0.000 0.000) 5.716 23.664 ( -8.515 0.000 0.000) 8.515 23.737 ( -8.060 0.000 0.000) 8.060 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 20.144 0.000 0.000) 20.144 2.293 ( -2.761 0.000 0.000) 2.761 2.372 ( -7.341 0.000 0.000) 7.341 2.751 ( -27.339 0.000 0.000) 27.339 3.108 ( 5.909 0.000 0.000) 5.909 3.116 ( 8.473 0.000 0.000) 8.473 3.170 ( -1.055 0.000 0.000) 1.055 3.217 ( -2.391 0.000 0.000) 2.391 3.360 ( 3.136 0.000 0.000) 3.136 3.396 ( 9.759 0.000 0.000) 9.759 3.463 ( 4.450 0.000 0.000) 4.450 3.499 ( -9.862 0.000 0.000) 9.862 3.569 ( 10.664 0.000 0.000) 10.664 3.707 ( 3.336 0.000 0.000) 3.336 3.780 ( -7.300 0.000 0.000) 7.300 3.857 ( -3.916 0.000 0.000) 3.916 3.910 ( -11.076 0.000 0.000) 11.076 3.924 ( -2.921 0.000 0.000) 2.921 3.975 ( 1.853 0.000 0.000) 1.853 4.010 ( 3.585 0.000 0.000) 3.585 4.077 ( -3.592 0.000 0.000) 3.592 4.100 ( -5.070 0.000 0.000) 5.070 4.204 ( 2.837 0.000 0.000) 2.837 4.217 ( -3.454 0.000 0.000) 3.454 4.262 ( -9.330 0.000 0.000) 9.330 4.334 ( -5.991 0.000 0.000) 5.991 4.555 ( 7.237 0.000 0.000) 7.237 4.640 ( 0.793 0.000 0.000) 0.793 4.685 ( 8.747 0.000 0.000) 8.747 4.701 ( 9.188 0.000 0.000) 9.188 4.837 ( 1.965 0.000 0.000) 1.965 4.918 ( -9.375 0.000 0.000) 9.375 4.929 ( 6.433 0.000 0.000) 6.433 5.066 ( -5.526 0.000 0.000) 5.526 5.079 ( 7.300 0.000 0.000) 7.300 5.137 ( 7.009 0.000 0.000) 7.009 5.274 ( -4.369 0.000 0.000) 4.369 5.278 ( 2.877 0.000 0.000) 2.877 5.400 ( -13.854 0.000 0.000) 13.854 5.463 ( -13.524 0.000 0.000) 13.524 5.601 ( 5.023 0.000 0.000) 5.023 5.674 ( -1.869 0.000 0.000) 1.869 5.676 ( 4.490 0.000 0.000) 4.490 5.718 ( -0.933 0.000 0.000) 0.933 5.824 ( -0.514 0.000 0.000) 0.514 5.833 ( -5.382 0.000 0.000) 5.382 5.845 ( 3.762 0.000 0.000) 3.762 5.847 ( 1.772 0.000 0.000) 1.772 5.912 ( -0.592 0.000 0.000) 0.592 5.927 ( 0.143 0.000 0.000) 0.143 5.964 ( -1.507 0.000 0.000) 1.507 5.982 ( -2.596 0.000 0.000) 2.596 6.078 ( -3.391 0.000 0.000) 3.391 6.097 ( -0.452 0.000 0.000) 0.452 6.107 ( -7.570 0.000 0.000) 7.570 6.144 ( -4.817 0.000 0.000) 4.817 6.373 ( 9.422 0.000 0.000) 9.422 6.543 ( -4.147 0.000 0.000) 4.147 6.677 ( 14.331 0.000 0.000) 14.331 6.754 ( 9.142 0.000 0.000) 9.142 6.810 ( 10.520 0.000 0.000) 10.520 6.820 ( 6.176 0.000 0.000) 6.176 6.846 ( 4.026 0.000 0.000) 4.026 6.883 ( 1.566 0.000 0.000) 1.566 6.955 ( 2.410 0.000 0.000) 2.410 6.972 ( 7.561 0.000 0.000) 7.561 7.084 ( -2.492 0.000 0.000) 2.492 7.167 ( -9.605 0.000 0.000) 9.605 7.221 ( -3.334 0.000 0.000) 3.334 7.228 ( 5.107 0.000 0.000) 5.107 7.274 ( 9.402 0.000 0.000) 9.402 7.365 ( 10.636 0.000 0.000) 10.636 7.420 ( -0.977 0.000 0.000) 0.977 7.466 ( 1.649 0.000 0.000) 1.649 7.504 ( 12.580 0.000 0.000) 12.580 7.521 ( 5.819 0.000 0.000) 5.819 7.611 ( -1.892 0.000 0.000) 1.892 7.640 ( 14.288 0.000 0.000) 14.288 7.653 ( 16.435 0.000 0.000) 16.435 7.681 ( 5.010 0.000 0.000) 5.010 7.704 ( -4.308 0.000 0.000) 4.308 7.894 ( 18.525 0.000 0.000) 18.525 7.896 ( -7.713 0.000 0.000) 7.713 8.163 ( -11.929 0.000 0.000) 11.929 8.163 ( -15.840 0.000 0.000) 15.840 8.477 ( 12.061 0.000 0.000) 12.061 8.523 ( -15.772 0.000 0.000) 15.772 8.640 ( 5.990 0.000 0.000) 5.990 8.696 ( 13.773 0.000 0.000) 13.773 8.762 ( 20.179 0.000 0.000) 20.179 8.860 ( -4.580 0.000 0.000) 4.580 8.928 ( 24.522 0.000 0.000) 24.522 8.964 ( 16.552 0.000 0.000) 16.552 9.023 ( -2.639 0.000 0.000) 2.639 9.059 ( 24.408 0.000 0.000) 24.408 9.158 ( 11.777 0.000 0.000) 11.777 9.166 ( -1.378 0.000 0.000) 1.378 9.295 ( 20.177 0.000 0.000) 20.177 9.352 ( 10.526 0.000 0.000) 10.526 9.502 ( 20.098 0.000 0.000) 20.098 9.509 ( -1.106 0.000 0.000) 1.106 9.570 ( -17.567 0.000 0.000) 17.567 9.616 ( 19.146 0.000 0.000) 19.146 9.626 ( -3.801 0.000 0.000) 3.801 9.701 ( -0.681 0.000 0.000) 0.681 9.733 ( -3.951 0.000 0.000) 3.951 9.733 ( 1.811 0.000 0.000) 1.811 9.914 ( -5.377 0.000 0.000) 5.377 9.922 ( -6.429 0.000 0.000) 6.429 9.978 ( 43.771 0.000 0.000) 43.771 10.019 ( -14.796 0.000 0.000) 14.796 10.025 ( -10.206 0.000 0.000) 10.206 10.137 ( 37.059 0.000 0.000) 37.059 10.184 ( -15.041 0.000 0.000) 15.041 10.291 ( 17.336 0.000 0.000) 17.336 10.350 ( 17.825 0.000 0.000) 17.825 10.354 ( 9.039 0.000 0.000) 9.039 10.580 ( 2.987 0.000 0.000) 2.987 10.599 ( -10.823 0.000 0.000) 10.823 10.631 ( 22.585 0.000 0.000) 22.585 10.751 ( -1.829 0.000 0.000) 1.829 10.784 ( 23.871 0.000 0.000) 23.871 10.830 ( 7.952 0.000 0.000) 7.952 10.841 ( -2.893 0.000 0.000) 2.893 10.882 ( 2.455 0.000 0.000) 2.455 10.888 ( -29.063 0.000 0.000) 29.063 11.045 ( -21.684 0.000 0.000) 21.684 11.131 ( 4.127 0.000 0.000) 4.127 11.172 ( -25.449 0.000 0.000) 25.449 11.197 ( 0.497 0.000 0.000) 0.497 11.336 ( -11.943 0.000 0.000) 11.943 11.351 ( -4.262 0.000 0.000) 4.262 11.444 ( -16.744 0.000 0.000) 16.744 11.510 ( -4.139 0.000 0.000) 4.139 11.535 ( -5.980 0.000 0.000) 5.980 11.556 ( 3.224 0.000 0.000) 3.224 11.636 ( -10.233 0.000 0.000) 10.233 11.664 ( -19.531 0.000 0.000) 19.531 11.669 ( -1.214 0.000 0.000) 1.214 11.875 ( -19.092 0.000 0.000) 19.092 11.998 ( 8.597 0.000 0.000) 8.597 12.044 ( 5.015 0.000 0.000) 5.015 12.091 ( 5.612 0.000 0.000) 5.612 12.153 ( -15.349 0.000 0.000) 15.349 12.204 ( -10.469 0.000 0.000) 10.469 12.329 ( -16.359 0.000 0.000) 16.359 12.437 ( -16.562 0.000 0.000) 16.562 12.493 ( -19.749 0.000 0.000) 19.749 12.925 ( 24.190 0.000 0.000) 24.190 13.059 ( 24.514 0.000 0.000) 24.514 13.349 ( -16.066 0.000 0.000) 16.066 13.459 ( -12.721 0.000 0.000) 12.721 13.827 ( 4.932 0.000 0.000) 4.932 13.868 ( 6.025 0.000 0.000) 6.025 13.946 ( -5.415 0.000 0.000) 5.415 13.962 ( -3.087 0.000 0.000) 3.087 14.411 ( 6.998 0.000 0.000) 6.998 14.494 ( 5.469 0.000 0.000) 5.469 14.509 ( -0.622 0.000 0.000) 0.622 14.551 ( -0.716 0.000 0.000) 0.716 14.614 ( 11.351 0.000 0.000) 11.351 14.755 ( 3.017 0.000 0.000) 3.017 14.805 ( -1.474 0.000 0.000) 1.474 14.812 ( -7.190 0.000 0.000) 7.190 14.850 ( 0.769 0.000 0.000) 0.769 14.888 ( 9.553 0.000 0.000) 9.553 14.939 ( -8.858 0.000 0.000) 8.858 15.055 ( -3.781 0.000 0.000) 3.781 15.137 ( 1.106 0.000 0.000) 1.106 15.156 ( 0.554 0.000 0.000) 0.554 15.173 ( -0.471 0.000 0.000) 0.471 15.184 ( -5.237 0.000 0.000) 5.237 15.267 ( 3.976 0.000 0.000) 3.976 15.326 ( -1.311 0.000 0.000) 1.311 15.373 ( 0.599 0.000 0.000) 0.599 15.385 ( -0.649 0.000 0.000) 0.649 15.498 ( 4.065 0.000 0.000) 4.065 15.555 ( 2.308 0.000 0.000) 2.308 15.575 ( -2.972 0.000 0.000) 2.972 15.598 ( -1.996 0.000 0.000) 1.996 15.805 ( 3.122 0.000 0.000) 3.122 15.831 ( 2.649 0.000 0.000) 2.649 15.853 ( 1.738 0.000 0.000) 1.738 15.861 ( -1.904 0.000 0.000) 1.904 15.925 ( 7.791 0.000 0.000) 7.791 15.982 ( 6.790 0.000 0.000) 6.790 16.093 ( -8.104 0.000 0.000) 8.104 16.145 ( -7.829 0.000 0.000) 7.829 17.092 ( 21.124 0.000 0.000) 21.124 17.192 ( 22.118 0.000 0.000) 22.118 17.609 ( -28.236 0.000 0.000) 28.236 17.678 ( -24.200 0.000 0.000) 24.200 22.677 ( 14.845 0.000 0.000) 14.845 22.686 ( 7.028 0.000 0.000) 7.028 22.723 ( 6.129 0.000 0.000) 6.129 22.792 ( 4.270 0.000 0.000) 4.270 22.940 ( 15.093 0.000 0.000) 15.093 22.990 ( 17.757 0.000 0.000) 17.757 23.049 ( 3.588 0.000 0.000) 3.588 23.136 ( 3.731 0.000 0.000) 3.731 23.404 ( -8.987 0.000 0.000) 8.987 23.409 ( -10.051 0.000 0.000) 10.051 23.425 ( -12.680 0.000 0.000) 12.680 23.476 ( -16.001 0.000 0.000) 16.001 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 30.959 0.000) 30.959 0.718 ( 0.000 34.668 0.000) 34.668 1.182 ( 0.000 57.445 0.000) 57.445 1.605 ( 0.000 15.565 0.000) 15.565 1.777 ( 0.000 20.944 0.000) 20.944 1.910 ( 0.000 7.657 0.000) 7.657 2.113 ( 0.000 14.092 0.000) 14.092 2.583 ( 0.000 39.230 0.000) 39.230 2.737 ( 0.000 14.878 0.000) 14.878 2.815 ( 0.000 25.701 0.000) 25.701 2.911 ( 0.000 21.630 0.000) 21.630 2.996 ( 0.000 29.447 0.000) 29.447 3.145 ( 0.000 29.228 0.000) 29.228 3.181 ( 0.000 14.957 0.000) 14.957 3.463 ( 0.000 9.908 0.000) 9.908 3.553 ( 0.000 7.535 0.000) 7.535 3.647 ( 0.000 46.140 0.000) 46.140 4.034 ( 0.000 1.778 0.000) 1.778 4.094 ( 0.000 8.499 0.000) 8.499 4.107 ( 0.000 1.429 0.000) 1.429 4.185 ( 0.000 5.443 0.000) 5.443 4.243 ( 0.000 7.197 0.000) 7.197 4.281 ( 0.000 -7.282 0.000) 7.282 4.316 ( 0.000 1.131 0.000) 1.131 4.514 ( 0.000 8.114 0.000) 8.114 4.553 ( 0.000 10.019 0.000) 10.019 4.596 ( 0.000 6.088 0.000) 6.088 4.681 ( 0.000 -3.019 0.000) 3.019 4.710 ( 0.000 -7.824 0.000) 7.824 4.795 ( 0.000 4.280 0.000) 4.280 4.868 ( 0.000 4.162 0.000) 4.162 4.955 ( 0.000 12.626 0.000) 12.626 4.956 ( 0.000 10.315 0.000) 10.315 5.026 ( 0.000 1.629 0.000) 1.629 5.030 ( 0.000 0.865 0.000) 0.865 5.132 ( 0.000 1.766 0.000) 1.766 5.254 ( 0.000 -2.447 0.000) 2.447 5.318 ( 0.000 6.269 0.000) 6.269 5.350 ( 0.000 0.360 0.000) 0.360 5.388 ( 0.000 1.309 0.000) 1.309 5.416 ( 0.000 4.540 0.000) 4.540 5.490 ( 0.000 -0.524 0.000) 0.524 5.513 ( 0.000 9.521 0.000) 9.521 5.513 ( 0.000 14.235 0.000) 14.235 5.595 ( 0.000 4.313 0.000) 4.313 5.665 ( 0.000 6.703 0.000) 6.703 5.681 ( 0.000 38.109 0.000) 38.109 5.737 ( 0.000 28.471 0.000) 28.471 5.799 ( 0.000 16.177 0.000) 16.177 5.813 ( 0.000 7.537 0.000) 7.537 5.848 ( 0.000 26.551 0.000) 26.551 5.895 ( 0.000 11.103 0.000) 11.103 5.950 ( 0.000 13.134 0.000) 13.134 5.959 ( 0.000 17.845 0.000) 17.845 6.044 ( 0.000 11.912 0.000) 11.912 6.161 ( 0.000 17.882 0.000) 17.882 6.227 ( 0.000 -3.824 0.000) 3.824 6.310 ( 0.000 7.326 0.000) 7.326 6.348 ( 0.000 31.836 0.000) 31.836 6.350 ( 0.000 14.766 0.000) 14.766 6.374 ( 0.000 3.502 0.000) 3.502 6.420 ( 0.000 -1.266 0.000) 1.266 6.448 ( 0.000 12.787 0.000) 12.787 6.477 ( 0.000 -1.469 0.000) 1.469 6.581 ( 0.000 2.985 0.000) 2.985 6.632 ( 0.000 13.582 0.000) 13.582 6.648 ( 0.000 0.246 0.000) 0.246 6.742 ( 0.000 -0.281 0.000) 0.281 6.772 ( 0.000 -0.311 0.000) 0.311 6.792 ( 0.000 0.249 0.000) 0.249 6.836 ( 0.000 4.046 0.000) 4.046 7.011 ( 0.000 11.384 0.000) 11.384 7.070 ( 0.000 1.106 0.000) 1.106 7.086 ( 0.000 7.461 0.000) 7.461 7.098 ( 0.000 5.130 0.000) 5.130 7.120 ( 0.000 5.963 0.000) 5.963 7.215 ( 0.000 -2.167 0.000) 2.167 7.273 ( 0.000 4.630 0.000) 4.630 7.277 ( 0.000 16.936 0.000) 16.936 7.330 ( 0.000 -1.601 0.000) 1.601 7.373 ( 0.000 11.397 0.000) 11.397 7.445 ( 0.000 0.028 0.000) 0.028 7.457 ( 0.000 10.124 0.000) 10.124 7.555 ( 0.000 4.313 0.000) 4.313 7.674 ( 0.000 -0.317 0.000) 0.317 7.757 ( 0.000 -0.238 0.000) 0.238 7.824 ( 0.000 -2.144 0.000) 2.144 7.835 ( 0.000 3.120 0.000) 3.120 7.901 ( 0.000 -1.760 0.000) 1.760 8.020 ( 0.000 2.830 0.000) 2.830 8.043 ( 0.000 0.343 0.000) 0.343 8.125 ( 0.000 0.194 0.000) 0.194 8.175 ( 0.000 12.144 0.000) 12.144 8.250 ( 0.000 1.622 0.000) 1.622 8.409 ( 0.000 15.280 0.000) 15.280 8.445 ( 0.000 10.971 0.000) 10.971 8.670 ( 0.000 6.355 0.000) 6.355 8.683 ( 0.000 10.965 0.000) 10.965 8.863 ( 0.000 9.932 0.000) 9.932 8.864 ( 0.000 -13.059 0.000) 13.059 8.903 ( 0.000 1.132 0.000) 1.132 9.004 ( 0.000 -14.799 0.000) 14.799 9.014 ( 0.000 -4.673 0.000) 4.673 9.053 ( 0.000 8.566 0.000) 8.566 9.070 ( 0.000 2.824 0.000) 2.824 9.165 ( 0.000 7.342 0.000) 7.342 9.175 ( 0.000 -1.838 0.000) 1.838 9.231 ( 0.000 -2.046 0.000) 2.046 9.266 ( 0.000 -11.787 0.000) 11.787 9.442 ( 0.000 4.196 0.000) 4.196 9.495 ( 0.000 -4.447 0.000) 4.447 9.539 ( 0.000 18.122 0.000) 18.122 9.628 ( 0.000 1.152 0.000) 1.152 9.699 ( 0.000 6.693 0.000) 6.693 9.906 ( 0.000 6.512 0.000) 6.512 9.942 ( 0.000 1.685 0.000) 1.685 9.966 ( 0.000 0.195 0.000) 0.195 9.986 ( 0.000 11.624 0.000) 11.624 10.079 ( 0.000 10.756 0.000) 10.756 10.139 ( 0.000 9.736 0.000) 9.736 10.229 ( 0.000 13.385 0.000) 13.385 10.325 ( 0.000 5.442 0.000) 5.442 10.396 ( 0.000 0.317 0.000) 0.317 10.455 ( 0.000 -4.172 0.000) 4.172 11.080 ( 0.000 12.262 0.000) 12.262 11.146 ( 0.000 14.442 0.000) 14.442 11.218 ( 0.000 -5.884 0.000) 5.884 11.252 ( 0.000 -2.270 0.000) 2.270 11.309 ( 0.000 -5.927 0.000) 5.927 11.346 ( 0.000 -2.249 0.000) 2.249 11.782 ( 0.000 -4.044 0.000) 4.044 11.783 ( 0.000 -5.860 0.000) 5.860 11.932 ( 0.000 -7.965 0.000) 7.965 12.199 ( 0.000 -2.920 0.000) 2.920 12.251 ( 0.000 -5.345 0.000) 5.345 12.294 ( 0.000 -12.763 0.000) 12.763 12.445 ( 0.000 -11.703 0.000) 11.703 12.566 ( 0.000 -11.263 0.000) 11.263 12.845 ( 0.000 -10.038 0.000) 10.038 12.897 ( 0.000 -3.318 0.000) 3.318 12.926 ( 0.000 -12.000 0.000) 12.000 13.057 ( 0.000 -11.428 0.000) 11.428 13.131 ( 0.000 -8.652 0.000) 8.652 13.164 ( 0.000 0.922 0.000) 0.922 13.309 ( 0.000 -7.389 0.000) 7.389 13.396 ( 0.000 -19.783 0.000) 19.783 13.455 ( 0.000 -9.316 0.000) 9.316 13.476 ( 0.000 -23.425 0.000) 23.425 13.506 ( 0.000 2.450 0.000) 2.450 13.515 ( 0.000 -7.633 0.000) 7.633 13.517 ( 0.000 -4.568 0.000) 4.568 13.637 ( 0.000 -11.033 0.000) 11.033 13.707 ( 0.000 -5.329 0.000) 5.329 13.728 ( 0.000 -4.183 0.000) 4.183 13.769 ( 0.000 -2.130 0.000) 2.130 13.863 ( 0.000 -16.338 0.000) 16.338 13.966 ( 0.000 -9.821 0.000) 9.821 13.991 ( 0.000 -5.169 0.000) 5.169 14.067 ( 0.000 -5.843 0.000) 5.843 14.100 ( 0.000 -6.901 0.000) 6.901 14.236 ( 0.000 -18.152 0.000) 18.152 14.249 ( 0.000 -6.670 0.000) 6.670 14.262 ( 0.000 -18.661 0.000) 18.661 14.307 ( 0.000 1.530 0.000) 1.530 14.401 ( 0.000 -5.270 0.000) 5.270 14.410 ( 0.000 -7.674 0.000) 7.674 14.413 ( 0.000 -9.927 0.000) 9.927 14.447 ( 0.000 -9.679 0.000) 9.679 14.949 ( 0.000 -16.324 0.000) 16.324 14.965 ( 0.000 -12.853 0.000) 12.853 15.043 ( 0.000 -17.040 0.000) 17.040 15.086 ( 0.000 -10.315 0.000) 10.315 15.165 ( 0.000 -5.246 0.000) 5.246 15.266 ( 0.000 -4.942 0.000) 4.942 15.350 ( 0.000 -12.045 0.000) 12.045 15.421 ( 0.000 -4.553 0.000) 4.553 15.452 ( 0.000 -8.448 0.000) 8.448 15.578 ( 0.000 26.367 0.000) 26.367 15.659 ( 0.000 21.772 0.000) 21.772 15.676 ( 0.000 7.711 0.000) 7.711 15.677 ( 0.000 6.292 0.000) 6.292 15.846 ( 0.000 -0.477 0.000) 0.477 15.925 ( 0.000 5.028 0.000) 5.028 15.980 ( 0.000 4.366 0.000) 4.366 16.036 ( 0.000 8.200 0.000) 8.200 16.065 ( 0.000 7.367 0.000) 7.367 16.284 ( 0.000 6.319 0.000) 6.319 16.599 ( 0.000 12.172 0.000) 12.172 16.719 ( 0.000 14.193 0.000) 14.193 16.772 ( 0.000 21.052 0.000) 21.052 18.962 ( 0.000 -23.403 0.000) 23.403 19.411 ( 0.000 -22.857 0.000) 22.857 20.830 ( 0.000 7.665 0.000) 7.665 21.793 ( 0.000 -12.384 0.000) 12.384 21.874 ( 0.000 -31.623 0.000) 31.623 21.905 ( 0.000 -5.798 0.000) 5.798 21.989 ( 0.000 -15.867 0.000) 15.867 22.374 ( 0.000 -9.042 0.000) 9.042 22.960 ( 0.000 -9.278 0.000) 9.278 22.970 ( 0.000 -8.900 0.000) 8.900 23.441 ( 0.000 -10.359 0.000) 10.359 23.446 ( 0.000 -10.331 0.000) 10.331 23.635 ( 0.000 -11.053 0.000) 11.053 23.636 ( 0.000 -10.272 0.000) 10.272 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 31.381 15.783 0.000) 35.126 1.307 ( 19.969 23.626 0.000) 30.935 1.665 ( 6.137 15.258 0.000) 16.446 1.869 ( 59.682 22.000 0.000) 63.607 1.999 ( 25.608 12.975 0.000) 28.707 2.035 ( 26.165 18.314 0.000) 31.938 2.367 ( 12.649 22.767 0.000) 26.044 2.929 ( 7.419 11.738 0.000) 13.886 2.991 ( 11.708 5.962 0.000) 13.139 3.049 ( 11.194 16.036 0.000) 19.557 3.231 ( 19.889 30.542 0.000) 36.447 3.333 ( 28.746 15.165 0.000) 32.501 3.412 ( 41.022 12.447 0.000) 42.869 3.589 ( 18.038 23.435 0.000) 29.573 3.694 ( 26.701 15.458 0.000) 30.853 3.721 ( -0.307 0.111 0.000) 0.327 3.942 ( 18.387 21.411 0.000) 28.223 4.053 ( -3.386 12.047 0.000) 12.514 4.070 ( 3.063 2.828 0.000) 4.169 4.145 ( 1.110 4.739 0.000) 4.868 4.173 ( 1.781 2.856 0.000) 3.365 4.315 ( 13.648 -6.678 0.000) 15.194 4.356 ( 0.246 1.652 0.000) 1.670 4.520 ( -1.696 5.909 0.000) 6.147 4.546 ( 15.835 0.145 0.000) 15.835 4.561 ( -0.874 1.407 0.000) 1.656 4.605 ( -2.572 -1.935 0.000) 3.219 4.645 ( 1.882 -3.648 0.000) 4.105 4.800 ( 7.006 6.550 0.000) 9.591 4.819 ( -3.839 6.608 0.000) 7.642 4.862 ( -8.465 9.269 0.000) 12.552 4.882 ( -10.295 5.029 0.000) 11.458 4.971 ( -3.771 8.858 0.000) 9.627 5.003 ( -2.567 2.220 0.000) 3.394 5.045 ( -6.331 8.390 0.000) 10.510 5.244 ( 1.332 2.750 0.000) 3.055 5.254 ( 1.795 12.635 0.000) 12.762 5.305 ( 6.831 3.432 0.000) 7.645 5.335 ( -3.278 -1.726 0.000) 3.705 5.410 ( 8.729 -1.977 0.000) 8.950 5.471 ( 0.231 7.831 0.000) 7.835 5.511 ( 0.665 17.308 0.000) 17.321 5.545 ( 6.799 4.425 0.000) 8.112 5.575 ( -2.828 7.774 0.000) 8.272 5.610 ( 4.966 1.546 0.000) 5.201 5.718 ( 2.318 11.730 0.000) 11.957 5.750 ( -4.173 16.510 0.000) 17.030 5.765 ( 14.636 12.744 0.000) 19.407 5.908 ( 9.386 2.886 0.000) 9.820 5.924 ( 10.193 7.356 0.000) 12.570 5.942 ( 3.562 8.036 0.000) 8.790 5.952 ( 4.282 15.815 0.000) 16.384 5.983 ( 14.578 19.127 0.000) 24.050 6.018 ( -8.333 12.474 0.000) 15.001 6.071 ( 4.771 9.260 0.000) 10.416 6.208 ( -7.376 4.465 0.000) 8.622 6.265 ( 2.662 8.842 0.000) 9.234 6.307 ( 3.056 4.351 0.000) 5.316 6.313 ( 2.308 7.421 0.000) 7.771 6.367 ( 9.847 13.324 0.000) 16.568 6.396 ( 2.049 7.569 0.000) 7.841 6.514 ( -4.722 6.528 0.000) 8.057 6.553 ( 2.940 8.472 0.000) 8.968 6.588 ( 10.209 -4.281 0.000) 11.070 6.637 ( 15.850 17.706 0.000) 23.764 6.680 ( 10.222 0.792 0.000) 10.253 6.739 ( 9.721 10.140 0.000) 14.047 6.745 ( -4.752 2.852 0.000) 5.542 6.818 ( -1.077 6.206 0.000) 6.299 6.864 ( 3.972 4.070 0.000) 5.687 6.958 ( 0.550 5.474 0.000) 5.501 7.054 ( 2.736 5.977 0.000) 6.574 7.075 ( 1.180 3.313 0.000) 3.517 7.075 ( 5.781 5.034 0.000) 7.666 7.115 ( 4.435 4.070 0.000) 6.020 7.159 ( 20.629 6.759 0.000) 21.708 7.287 ( 3.829 12.907 0.000) 13.463 7.328 ( 5.039 -1.521 0.000) 5.264 7.337 ( 12.188 25.474 0.000) 28.240 7.375 ( 13.372 5.450 0.000) 14.440 7.434 ( 4.688 -1.658 0.000) 4.973 7.516 ( 6.063 5.847 0.000) 8.423 7.606 ( -0.008 2.390 0.000) 2.390 7.620 ( 18.904 4.698 0.000) 19.479 7.736 ( -1.024 2.664 0.000) 2.854 7.758 ( 10.294 2.980 0.000) 10.717 7.817 ( 13.397 4.035 0.000) 13.992 7.945 ( 2.810 -0.348 0.000) 2.831 8.050 ( 4.482 3.921 0.000) 5.955 8.058 ( 4.434 -0.689 0.000) 4.487 8.105 ( 2.885 2.302 0.000) 3.691 8.124 ( 7.628 -0.842 0.000) 7.674 8.208 ( -5.245 0.627 0.000) 5.283 8.357 ( 7.939 3.574 0.000) 8.706 8.500 ( 9.652 12.431 0.000) 15.738 8.524 ( 8.358 10.063 0.000) 13.081 8.577 ( -11.534 5.170 0.000) 12.640 8.652 ( 3.027 9.503 0.000) 9.973 8.717 ( -9.708 2.187 0.000) 9.951 8.845 ( -10.077 4.353 0.000) 10.977 8.961 ( 14.124 12.121 0.000) 18.612 9.007 ( 11.958 -7.746 0.000) 14.248 9.102 ( 5.956 2.830 0.000) 6.594 9.126 ( 4.906 3.613 0.000) 6.093 9.206 ( 2.354 0.379 0.000) 2.384 9.227 ( 12.254 -10.172 0.000) 15.926 9.304 ( 13.118 0.922 0.000) 13.150 9.308 ( 6.937 -3.511 0.000) 7.775 9.448 ( 11.856 -3.090 0.000) 12.252 9.534 ( 3.965 -0.411 0.000) 3.986 9.538 ( 5.285 10.263 0.000) 11.544 9.572 ( 4.609 1.650 0.000) 4.896 9.732 ( 9.999 3.566 0.000) 10.616 9.777 ( 9.248 12.173 0.000) 15.287 9.858 ( -2.868 5.525 0.000) 6.225 9.932 ( -0.951 0.768 0.000) 1.222 9.960 ( 1.621 2.599 0.000) 3.063 10.103 ( 6.538 8.073 0.000) 10.389 10.138 ( 4.366 8.493 0.000) 9.549 10.140 ( 2.765 7.182 0.000) 7.696 10.246 ( 3.801 10.428 0.000) 11.099 10.396 ( 0.993 -1.769 0.000) 2.028 10.406 ( 7.420 3.512 0.000) 8.209 10.647 ( 16.559 -1.717 0.000) 16.647 11.022 ( -13.146 -3.285 0.000) 13.550 11.054 ( -9.523 -4.484 0.000) 10.526 11.115 ( 3.501 11.334 0.000) 11.862 11.294 ( 4.533 7.444 0.000) 8.716 11.358 ( -1.962 2.266 0.000) 2.998 11.375 ( 6.041 5.816 0.000) 8.385 11.565 ( -9.861 1.974 0.000) 10.057 11.806 ( 0.906 -8.185 0.000) 8.235 11.838 ( -11.943 -10.688 0.000) 16.027 12.064 ( -12.499 -9.759 0.000) 15.858 12.134 ( -11.981 -5.252 0.000) 13.081 12.204 ( -9.316 -7.855 0.000) 12.185 12.350 ( -6.335 -10.069 0.000) 11.896 12.466 ( -10.095 -10.885 0.000) 14.845 12.733 ( -9.904 -9.397 0.000) 13.653 12.775 ( -9.439 -9.194 0.000) 13.176 12.814 ( -8.574 -3.439 0.000) 9.238 12.912 ( -13.526 -8.545 0.000) 15.999 13.054 ( -9.440 0.006 0.000) 9.440 13.081 ( -8.221 -8.324 0.000) 11.700 13.220 ( -11.905 -12.659 0.000) 17.378 13.270 ( -10.102 -14.274 0.000) 17.488 13.340 ( -8.390 -10.210 0.000) 13.215 13.392 ( -6.711 -8.594 0.000) 10.904 13.442 ( -10.144 -6.653 0.000) 12.131 13.488 ( -8.848 -10.043 0.000) 13.385 13.592 ( -7.601 -5.762 0.000) 9.538 13.638 ( 2.710 -7.532 0.000) 8.004 13.656 ( -0.161 -0.349 0.000) 0.384 13.748 ( 1.774 -5.682 0.000) 5.952 13.778 ( 0.209 -5.806 0.000) 5.810 13.800 ( -2.632 -10.863 0.000) 11.177 13.882 ( 5.448 -6.166 0.000) 8.228 14.016 ( 2.371 -21.540 0.000) 21.670 14.070 ( -7.209 -1.206 0.000) 7.310 14.111 ( 8.311 -13.011 0.000) 15.439 14.246 ( 3.387 -13.560 0.000) 13.976 14.263 ( 7.970 -10.854 0.000) 13.465 14.404 ( 8.245 -9.990 0.000) 12.954 14.454 ( 5.499 -5.205 0.000) 7.572 14.495 ( 9.133 -10.280 0.000) 13.751 14.515 ( 9.134 -9.992 0.000) 13.538 14.542 ( 12.031 -7.016 0.000) 13.927 14.617 ( 9.821 -13.240 0.000) 16.485 14.929 ( -0.848 -10.135 0.000) 10.170 14.979 ( -0.575 -13.245 0.000) 13.257 15.030 ( 2.272 -17.779 0.000) 17.923 15.168 ( 5.618 -1.475 0.000) 5.808 15.240 ( 3.026 -7.381 0.000) 7.978 15.276 ( 3.333 -4.331 0.000) 5.465 15.376 ( -3.109 -1.528 0.000) 3.464 15.397 ( -2.201 -3.596 0.000) 4.216 15.434 ( 6.887 -7.659 0.000) 10.300 15.560 ( 2.685 4.529 0.000) 5.265 15.619 ( -2.207 17.823 0.000) 17.959 15.672 ( 0.630 5.718 0.000) 5.753 15.680 ( -1.756 20.143 0.000) 20.219 15.769 ( -4.714 -3.135 0.000) 5.661 15.909 ( -4.704 17.961 0.000) 18.567 15.980 ( 1.285 12.458 0.000) 12.524 16.007 ( 5.064 11.732 0.000) 12.778 16.036 ( 0.080 16.071 0.000) 16.071 16.643 ( 8.353 14.944 0.000) 17.120 16.656 ( 7.083 14.321 0.000) 15.977 16.777 ( 1.599 20.849 0.000) 20.911 16.790 ( 3.230 19.679 0.000) 19.942 18.826 ( -12.838 -22.548 0.000) 25.947 19.203 ( -19.283 -21.887 0.000) 29.170 20.991 ( 14.847 -3.088 0.000) 15.165 21.699 ( -8.806 -27.162 0.000) 28.554 21.806 ( -2.638 -30.619 0.000) 30.733 21.812 ( 2.230 -15.884 0.000) 16.040 21.937 ( 3.947 -17.743 0.000) 18.177 22.290 ( -3.014 -16.261 0.000) 16.538 23.019 ( 3.870 -6.760 0.000) 7.789 23.118 ( 4.760 -6.604 0.000) 8.141 23.471 ( 1.908 -10.291 0.000) 10.467 23.492 ( 3.393 -10.287 0.000) 10.833 23.648 ( 0.871 -11.267 0.000) 11.300 23.673 ( 2.535 -10.418 0.000) 10.722 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 13.728 2.289 0.000) 13.917 1.789 ( 34.230 5.533 0.000) 34.675 2.121 ( 29.885 18.310 0.000) 35.048 2.569 ( 5.480 7.612 0.000) 9.379 2.582 ( 28.429 6.894 0.000) 29.253 2.611 ( 27.642 11.089 0.000) 29.783 2.890 ( 21.837 16.969 0.000) 27.655 3.094 ( 8.718 7.442 0.000) 11.463 3.216 ( 8.364 -1.737 0.000) 8.542 3.318 ( 11.661 10.679 0.000) 15.812 3.485 ( 2.141 11.305 0.000) 11.506 3.675 ( 2.995 -1.741 0.000) 3.465 3.752 ( 6.525 7.322 0.000) 9.808 3.875 ( 5.348 -0.555 0.000) 5.377 3.979 ( -2.307 6.381 0.000) 6.786 4.047 ( -4.551 6.262 0.000) 7.741 4.058 ( 9.901 9.988 0.000) 14.064 4.140 ( 4.152 5.130 0.000) 6.600 4.163 ( 0.672 1.235 0.000) 1.406 4.171 ( 0.292 0.673 0.000) 0.733 4.203 ( -0.271 7.727 0.000) 7.732 4.351 ( -5.545 -0.544 0.000) 5.572 4.412 ( -2.513 -1.281 0.000) 2.821 4.472 ( 5.980 11.326 0.000) 12.808 4.529 ( -7.589 12.169 0.000) 14.342 4.546 ( -0.089 -0.588 0.000) 0.595 4.564 ( -16.456 2.704 0.000) 16.677 4.615 ( -3.752 4.357 0.000) 5.750 4.646 ( 12.021 4.833 0.000) 12.956 4.718 ( 1.668 0.204 0.000) 1.681 4.820 ( 2.364 -3.456 0.000) 4.187 4.886 ( 1.078 5.967 0.000) 6.064 4.995 ( 8.530 4.159 0.000) 9.489 5.066 ( 0.267 12.615 0.000) 12.618 5.079 ( -18.136 2.271 0.000) 18.277 5.171 ( 12.741 10.404 0.000) 16.450 5.270 ( 6.405 -0.148 0.000) 6.407 5.275 ( 0.668 -1.150 0.000) 1.329 5.384 ( -9.147 1.608 0.000) 9.287 5.413 ( 2.115 -1.254 0.000) 2.459 5.457 ( -2.233 2.457 0.000) 3.320 5.514 ( 11.200 9.803 0.000) 14.884 5.633 ( 5.197 11.037 0.000) 12.199 5.645 ( 2.415 6.269 0.000) 6.718 5.674 ( 5.591 1.833 0.000) 5.884 5.777 ( 8.220 10.255 0.000) 13.143 5.779 ( 5.246 13.399 0.000) 14.390 5.830 ( -2.405 9.634 0.000) 9.929 5.947 ( -1.994 4.606 0.000) 5.019 6.021 ( 0.231 3.644 0.000) 3.651 6.077 ( 2.824 1.469 0.000) 3.184 6.098 ( -1.408 2.007 0.000) 2.452 6.134 ( 7.585 10.140 0.000) 12.663 6.174 ( 4.956 7.542 0.000) 9.025 6.180 ( 7.285 2.807 0.000) 7.807 6.219 ( 5.964 6.467 0.000) 8.797 6.277 ( 4.433 10.057 0.000) 10.991 6.339 ( -3.179 12.951 0.000) 13.335 6.402 ( 8.271 13.866 0.000) 16.146 6.450 ( 0.810 3.026 0.000) 3.132 6.460 ( 0.456 9.340 0.000) 9.351 6.470 ( 2.746 1.559 0.000) 3.158 6.524 ( 0.310 15.504 0.000) 15.507 6.620 ( 3.892 8.362 0.000) 9.224 6.697 ( -3.342 -1.600 0.000) 3.705 6.773 ( 0.780 6.755 0.000) 6.799 6.881 ( 10.354 2.385 0.000) 10.625 6.918 ( 1.858 6.570 0.000) 6.828 7.006 ( 9.002 16.381 0.000) 18.691 7.011 ( 17.539 5.122 0.000) 18.271 7.068 ( 6.408 6.611 0.000) 9.207 7.071 ( 7.958 6.995 0.000) 10.595 7.226 ( 14.455 3.061 0.000) 14.776 7.374 ( 4.375 4.260 0.000) 6.106 7.381 ( 15.727 6.267 0.000) 16.930 7.396 ( 6.159 -2.377 0.000) 6.602 7.411 ( 19.548 3.682 0.000) 19.892 7.564 ( 5.230 8.289 0.000) 9.801 7.580 ( 7.519 1.762 0.000) 7.722 7.625 ( 12.685 11.982 0.000) 17.449 7.665 ( 1.182 5.914 0.000) 6.031 7.760 ( 16.494 3.275 0.000) 16.816 7.781 ( -1.789 1.777 0.000) 2.522 7.888 ( 21.455 3.722 0.000) 21.775 7.891 ( 10.664 -0.331 0.000) 10.669 7.932 ( 4.103 2.344 0.000) 4.725 8.044 ( 1.718 1.506 0.000) 2.285 8.119 ( 16.624 2.837 0.000) 16.865 8.181 ( 0.489 0.783 0.000) 0.923 8.227 ( 6.913 6.302 0.000) 9.354 8.243 ( 0.033 6.263 0.000) 6.263 8.273 ( 27.762 9.753 0.000) 29.426 8.341 ( 11.778 3.930 0.000) 12.416 8.414 ( 3.808 2.483 0.000) 4.546 8.517 ( 26.870 6.511 0.000) 27.648 8.678 ( 14.410 2.676 0.000) 14.656 8.715 ( 9.399 6.747 0.000) 11.570 8.788 ( 10.397 6.197 0.000) 12.104 8.840 ( 12.223 8.404 0.000) 14.833 8.938 ( 25.011 12.425 0.000) 27.927 9.116 ( 1.700 6.101 0.000) 6.333 9.212 ( 4.749 4.007 0.000) 6.214 9.254 ( 8.564 -2.139 0.000) 8.827 9.279 ( 11.472 -1.704 0.000) 11.597 9.396 ( 18.158 7.205 0.000) 19.536 9.457 ( -0.290 -3.230 0.000) 3.243 9.475 ( 7.660 -2.986 0.000) 8.222 9.600 ( 8.690 -1.960 0.000) 8.908 9.653 ( 9.747 1.427 0.000) 9.851 9.658 ( 5.999 2.594 0.000) 6.536 9.700 ( 9.102 4.253 0.000) 10.047 9.730 ( 9.741 9.148 0.000) 13.363 9.829 ( -0.065 1.101 0.000) 1.103 9.851 ( 7.345 -2.243 0.000) 7.680 10.043 ( 17.793 4.415 0.000) 18.332 10.075 ( 15.912 2.546 0.000) 16.115 10.162 ( 15.799 1.436 0.000) 15.864 10.214 ( 9.228 2.110 0.000) 9.466 10.216 ( 6.053 1.073 0.000) 6.148 10.329 ( 5.704 3.106 0.000) 6.495 10.494 ( 9.912 -6.114 0.000) 11.646 10.498 ( 14.073 4.438 0.000) 14.756 10.536 ( 8.740 3.647 0.000) 9.471 10.728 ( -11.784 -1.669 0.000) 11.902 10.853 ( -9.622 -0.789 0.000) 9.654 10.929 ( 5.552 -0.570 0.000) 5.582 11.194 ( -4.526 1.777 0.000) 4.862 11.244 ( -5.963 -1.771 0.000) 6.221 11.361 ( 4.551 -1.240 0.000) 4.717 11.468 ( 0.396 4.263 0.000) 4.281 11.519 ( -13.160 -5.035 0.000) 14.091 11.584 ( 6.182 9.946 0.000) 11.711 11.725 ( -7.427 -11.752 0.000) 13.903 11.800 ( -18.491 -5.062 0.000) 19.171 11.820 ( -1.790 -0.888 0.000) 1.999 12.014 ( -5.469 -8.720 0.000) 10.293 12.136 ( -16.450 -6.452 0.000) 17.670 12.181 ( -15.914 -7.351 0.000) 17.530 12.411 ( -19.399 -7.178 0.000) 20.684 12.513 ( -17.192 -4.542 0.000) 17.782 12.555 ( -16.881 -4.338 0.000) 17.430 12.590 ( -19.911 -3.645 0.000) 20.242 12.721 ( -21.351 -7.448 0.000) 22.613 12.825 ( -14.667 0.489 0.000) 14.675 12.891 ( -10.036 -7.915 0.000) 12.781 12.948 ( -19.221 -5.527 0.000) 20.000 13.129 ( -12.052 0.383 0.000) 12.058 13.152 ( -18.517 -5.172 0.000) 19.226 13.259 ( -17.608 -7.011 0.000) 18.952 13.325 ( -22.950 -6.905 0.000) 23.966 13.408 ( 4.160 -5.696 0.000) 7.053 13.539 ( 0.879 -2.987 0.000) 3.114 13.580 ( -2.418 -8.043 0.000) 8.398 13.722 ( -2.763 -5.675 0.000) 6.311 13.855 ( 3.677 -9.195 0.000) 9.903 13.938 ( 10.520 -10.279 0.000) 14.709 13.984 ( 1.965 -11.874 0.000) 12.036 14.015 ( 3.788 -2.951 0.000) 4.802 14.144 ( 7.912 -14.466 0.000) 16.489 14.276 ( 6.682 -7.782 0.000) 10.257 14.329 ( 5.214 -9.079 0.000) 10.470 14.489 ( 12.410 -6.085 0.000) 13.821 14.576 ( 5.348 -2.400 0.000) 5.861 14.622 ( 10.140 -10.112 0.000) 14.320 14.680 ( 9.400 -8.709 0.000) 12.814 14.718 ( 10.238 -9.586 0.000) 14.025 14.762 ( 8.527 -7.677 0.000) 11.474 14.810 ( 8.613 -16.025 0.000) 18.193 14.943 ( 2.913 -5.617 0.000) 6.328 14.972 ( 1.393 -9.380 0.000) 9.482 15.113 ( 3.603 -11.372 0.000) 11.929 15.232 ( -0.720 -4.323 0.000) 4.382 15.290 ( 6.122 5.020 0.000) 7.917 15.348 ( 0.352 -5.847 0.000) 5.857 15.360 ( -0.254 -5.939 0.000) 5.945 15.432 ( 6.678 -5.612 0.000) 8.723 15.483 ( -5.994 -1.908 0.000) 6.290 15.601 ( 0.651 20.068 0.000) 20.079 15.618 ( -0.564 13.511 0.000) 13.523 15.640 ( 0.908 12.627 0.000) 12.659 15.714 ( 4.701 0.183 0.000) 4.704 15.774 ( 5.722 1.279 0.000) 5.863 15.853 ( -1.308 14.919 0.000) 14.976 16.028 ( -1.283 21.778 0.000) 21.816 16.048 ( 5.152 17.220 0.000) 17.974 16.101 ( 4.022 17.469 0.000) 17.926 16.678 ( -1.185 25.068 0.000) 25.096 16.715 ( -3.304 29.643 0.000) 29.826 16.802 ( 1.439 19.418 0.000) 19.471 16.831 ( 0.637 22.658 0.000) 22.667 18.469 ( -20.325 -19.246 0.000) 27.992 18.690 ( -28.390 -19.410 0.000) 34.391 21.405 ( 24.252 -17.100 0.000) 29.674 21.746 ( 10.488 -41.822 0.000) 43.117 21.904 ( 12.123 -29.933 0.000) 32.295 21.926 ( 9.701 -19.630 0.000) 21.896 22.086 ( 10.402 -29.591 0.000) 31.366 22.287 ( 3.453 -20.034 0.000) 20.329 23.053 ( -1.332 -7.288 0.000) 7.409 23.136 ( -2.385 -7.010 0.000) 7.405 23.492 ( -0.734 -11.337 0.000) 11.360 23.531 ( -0.434 -10.956 0.000) 10.964 23.643 ( -2.131 -11.875 0.000) 12.065 23.702 ( -0.632 -11.068 0.000) 11.086 ======================= Grid point 12 (9/50) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 14.946 -0.472 0.000) 14.954 2.353 ( 16.063 2.569 0.000) 16.267 2.416 ( -9.520 -3.412 0.000) 10.113 2.739 ( 21.076 5.255 0.000) 21.721 3.035 ( 10.152 -0.259 0.000) 10.155 3.069 ( 8.923 -1.382 0.000) 9.029 3.094 ( -1.379 2.218 0.000) 2.612 3.213 ( 10.909 13.853 0.000) 17.632 3.289 ( -12.567 -1.124 0.000) 12.617 3.328 ( 8.313 2.576 0.000) 8.703 3.454 ( -1.028 2.306 0.000) 2.525 3.574 ( -6.660 2.174 0.000) 7.006 3.638 ( -16.530 -4.453 0.000) 17.120 3.850 ( -8.779 5.144 0.000) 10.175 3.907 ( 10.185 7.255 0.000) 12.505 3.947 ( -6.217 3.097 0.000) 6.945 4.055 ( -8.082 4.890 0.000) 9.446 4.081 ( -3.373 5.164 0.000) 6.168 4.146 ( -1.272 10.237 0.000) 10.316 4.200 ( -2.247 5.603 0.000) 6.036 4.243 ( -6.705 4.900 0.000) 8.304 4.257 ( -8.612 4.008 0.000) 9.499 4.309 ( 3.259 0.998 0.000) 3.408 4.317 ( 7.039 0.089 0.000) 7.039 4.460 ( -3.614 12.297 0.000) 12.817 4.467 ( -9.656 9.983 0.000) 13.889 4.508 ( -8.464 1.233 0.000) 8.553 4.610 ( 7.178 4.180 0.000) 8.306 4.690 ( -4.769 2.505 0.000) 5.386 4.747 ( -0.549 -0.094 0.000) 0.557 4.805 ( -6.932 4.003 0.000) 8.005 4.915 ( 1.046 5.315 0.000) 5.417 4.954 ( 5.635 -4.112 0.000) 6.976 4.982 ( 0.668 11.248 0.000) 11.268 5.106 ( -2.057 -2.661 0.000) 3.363 5.135 ( -7.812 -3.083 0.000) 8.398 5.207 ( 4.617 1.929 0.000) 5.004 5.381 ( -2.082 2.879 0.000) 3.553 5.451 ( 3.503 0.027 0.000) 3.503 5.471 ( 7.874 2.961 0.000) 8.413 5.600 ( 5.059 -1.656 0.000) 5.323 5.677 ( -5.329 0.243 0.000) 5.335 5.722 ( 2.100 0.768 0.000) 2.236 5.759 ( 0.394 0.976 0.000) 1.052 5.817 ( -1.497 2.043 0.000) 2.533 5.854 ( 5.830 6.835 0.000) 8.984 5.877 ( 1.496 1.902 0.000) 2.420 5.931 ( -3.070 3.899 0.000) 4.962 5.945 ( 0.620 4.456 0.000) 4.499 6.010 ( -2.819 3.266 0.000) 4.315 6.041 ( -1.085 0.638 0.000) 1.259 6.104 ( 6.121 3.224 0.000) 6.918 6.149 ( -3.805 8.509 0.000) 9.321 6.169 ( 7.365 3.006 0.000) 7.955 6.212 ( -3.270 5.022 0.000) 5.993 6.309 ( 6.640 3.074 0.000) 7.317 6.376 ( -5.349 7.066 0.000) 8.862 6.402 ( -6.126 6.810 0.000) 9.160 6.497 ( 25.851 4.294 0.000) 26.205 6.584 ( 8.218 4.927 0.000) 9.582 6.602 ( 15.398 15.132 0.000) 21.589 6.627 ( 16.726 5.595 0.000) 17.637 6.704 ( 19.699 8.394 0.000) 21.413 6.765 ( 14.374 10.297 0.000) 17.682 6.823 ( 10.865 10.507 0.000) 15.114 6.922 ( 7.877 9.364 0.000) 12.236 6.998 ( 2.635 5.427 0.000) 6.032 7.046 ( 10.459 3.549 0.000) 11.045 7.104 ( -3.046 4.436 0.000) 5.381 7.149 ( 10.492 9.775 0.000) 14.340 7.277 ( 6.632 3.407 0.000) 7.455 7.315 ( 8.085 7.205 0.000) 10.830 7.321 ( -2.273 -0.385 0.000) 2.306 7.420 ( -1.844 -4.008 0.000) 4.412 7.461 ( 1.663 5.494 0.000) 5.740 7.508 ( 2.395 -2.047 0.000) 3.150 7.565 ( -5.897 -0.622 0.000) 5.930 7.589 ( -2.366 5.823 0.000) 6.285 7.727 ( -4.899 4.263 0.000) 6.494 7.782 ( 2.347 0.908 0.000) 2.517 7.795 ( -3.140 3.687 0.000) 4.843 7.840 ( 3.796 2.582 0.000) 4.591 7.940 ( 26.416 0.676 0.000) 26.425 8.061 ( 0.677 -1.760 0.000) 1.885 8.143 ( 12.164 5.157 0.000) 13.212 8.151 ( 10.282 -1.126 0.000) 10.344 8.224 ( 15.927 8.416 0.000) 18.014 8.394 ( 17.200 4.802 0.000) 17.857 8.419 ( 20.038 5.564 0.000) 20.796 8.423 ( 6.879 3.622 0.000) 7.775 8.518 ( 33.521 12.930 0.000) 35.928 8.683 ( 21.343 3.295 0.000) 21.596 8.706 ( 10.409 2.525 0.000) 10.711 8.796 ( 18.049 10.686 0.000) 20.975 8.953 ( 29.475 3.327 0.000) 29.662 8.996 ( 16.218 1.250 0.000) 16.267 9.075 ( 10.253 3.770 0.000) 10.924 9.089 ( 21.946 4.310 0.000) 22.365 9.150 ( 6.150 7.221 0.000) 9.485 9.216 ( 1.501 7.429 0.000) 7.579 9.243 ( -7.884 -2.265 0.000) 8.203 9.345 ( -3.967 -0.281 0.000) 3.977 9.423 ( 27.081 1.645 0.000) 27.131 9.453 ( 16.568 -0.336 0.000) 16.571 9.605 ( 6.943 -0.590 0.000) 6.968 9.650 ( 20.196 -2.201 0.000) 20.316 9.686 ( 4.369 7.167 0.000) 8.393 9.694 ( 1.819 1.224 0.000) 2.192 9.712 ( 3.230 0.562 0.000) 3.278 9.775 ( 11.831 7.592 0.000) 14.057 9.830 ( 4.460 6.123 0.000) 7.575 9.995 ( 8.367 -7.734 0.000) 11.394 10.079 ( 14.837 -0.128 0.000) 14.838 10.113 ( 11.136 -3.675 0.000) 11.727 10.206 ( -3.513 -8.888 0.000) 9.557 10.253 ( 4.782 -6.610 0.000) 8.158 10.406 ( 1.195 2.250 0.000) 2.548 10.438 ( 8.982 0.000 0.000) 8.982 10.440 ( 3.318 2.177 0.000) 3.968 10.532 ( 5.964 0.929 0.000) 6.036 10.541 ( 9.049 6.867 0.000) 11.359 10.572 ( 3.633 4.036 0.000) 5.430 10.593 ( 6.811 -2.047 0.000) 7.112 10.783 ( 12.752 -7.383 0.000) 14.735 10.920 ( 7.133 -2.084 0.000) 7.431 10.939 ( -15.489 -8.369 0.000) 17.606 11.043 ( -1.286 -7.591 0.000) 7.699 11.094 ( -10.711 -7.135 0.000) 12.870 11.228 ( -2.689 -1.109 0.000) 2.908 11.311 ( 3.141 -0.905 0.000) 3.269 11.462 ( -5.750 -0.260 0.000) 5.756 11.501 ( -5.938 -1.883 0.000) 6.229 11.594 ( -4.309 6.283 0.000) 7.619 11.713 ( -22.046 -2.087 0.000) 22.144 11.769 ( -17.449 -2.187 0.000) 17.585 11.810 ( 2.874 3.028 0.000) 4.175 11.875 ( -19.911 -1.452 0.000) 19.963 11.919 ( 0.031 3.475 0.000) 3.475 12.007 ( -27.728 -2.574 0.000) 27.847 12.146 ( -13.280 -0.809 0.000) 13.304 12.254 ( -23.188 -6.867 0.000) 24.183 12.373 ( 15.517 1.213 0.000) 15.565 12.383 ( -33.116 -4.544 0.000) 33.426 12.426 ( 12.445 -2.228 0.000) 12.643 12.540 ( -16.299 3.192 0.000) 16.609 12.675 ( -32.360 -3.095 0.000) 32.507 12.676 ( -21.526 -3.986 0.000) 21.892 12.796 ( -8.832 -1.826 0.000) 9.018 12.836 ( -15.202 6.114 0.000) 16.385 12.907 ( -11.636 9.896 0.000) 15.275 13.447 ( -2.699 -8.908 0.000) 9.308 13.566 ( -0.765 -4.477 0.000) 4.542 13.661 ( 7.244 -5.276 0.000) 8.961 13.694 ( 1.059 -6.753 0.000) 6.836 13.898 ( 0.455 -8.549 0.000) 8.561 13.983 ( -2.282 -3.502 0.000) 4.179 14.147 ( 8.463 -13.026 0.000) 15.534 14.156 ( 10.043 -13.351 0.000) 16.707 14.300 ( 6.718 -9.293 0.000) 11.467 14.374 ( 2.316 -3.544 0.000) 4.234 14.449 ( 6.579 -2.678 0.000) 7.103 14.666 ( 3.422 -0.512 0.000) 3.460 14.704 ( 4.944 -2.003 0.000) 5.334 14.759 ( 7.242 -3.660 0.000) 8.115 14.884 ( 4.008 -7.865 0.000) 8.827 14.887 ( 7.052 -8.715 0.000) 11.210 14.922 ( 8.547 -4.556 0.000) 9.685 14.973 ( 6.855 -8.001 0.000) 10.536 15.029 ( 2.655 -4.558 0.000) 5.275 15.061 ( 7.394 -4.164 0.000) 8.486 15.143 ( 0.596 -3.207 0.000) 3.262 15.206 ( -2.544 -0.936 0.000) 2.711 15.290 ( -8.084 1.988 0.000) 8.325 15.372 ( 2.476 -6.370 0.000) 6.834 15.403 ( 2.708 -9.979 0.000) 10.340 15.430 ( 7.030 4.016 0.000) 8.096 15.508 ( -0.191 1.496 0.000) 1.508 15.573 ( -2.360 18.159 0.000) 18.312 15.636 ( 1.564 23.481 0.000) 23.533 15.680 ( 1.787 3.896 0.000) 4.286 15.827 ( 5.460 3.389 0.000) 6.427 15.843 ( 0.394 11.557 0.000) 11.564 15.889 ( 4.363 3.404 0.000) 5.534 15.981 ( -2.821 22.306 0.000) 22.483 16.151 ( 3.373 23.664 0.000) 23.904 16.199 ( 5.404 20.904 0.000) 21.592 16.576 ( -8.753 28.764 0.000) 30.066 16.602 ( -6.432 27.602 0.000) 28.341 16.849 ( 4.719 11.607 0.000) 12.530 16.898 ( 7.851 11.464 0.000) 13.895 18.030 ( -21.665 -14.365 0.000) 25.995 18.088 ( -28.731 -14.173 0.000) 32.036 21.941 ( 25.540 -26.955 0.000) 37.133 22.040 ( 16.100 -40.064 0.000) 43.178 22.215 ( 17.149 -20.975 0.000) 27.093 22.245 ( 18.797 -26.746 0.000) 32.691 22.373 ( 17.790 -23.697 0.000) 29.632 22.455 ( 13.086 -17.280 0.000) 21.675 22.964 ( -6.629 -12.657 0.000) 14.288 23.034 ( -7.029 -12.865 0.000) 14.660 23.415 ( -7.048 -14.233 0.000) 15.882 23.451 ( -7.648 -13.651 0.000) 15.647 23.532 ( -9.050 -12.766 0.000) 15.649 23.612 ( -8.742 -12.251 0.000) 15.050 ======================= Grid point 13 (10/50) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 11.939 -3.232 0.000) 12.368 2.294 ( 5.915 -1.235 0.000) 6.043 2.365 ( -9.381 -0.292 0.000) 9.386 2.717 ( -25.948 -3.566 0.000) 26.192 2.991 ( 5.259 -7.611 0.000) 9.251 3.090 ( -4.557 -7.972 0.000) 9.182 3.123 ( 2.414 -3.008 0.000) 3.857 3.167 ( -1.628 -2.758 0.000) 3.202 3.351 ( 3.148 3.174 0.000) 4.471 3.404 ( -3.008 -3.461 0.000) 4.586 3.523 ( 2.101 4.981 0.000) 5.406 3.588 ( 1.768 5.339 0.000) 5.624 3.590 ( 13.433 3.005 0.000) 13.765 3.760 ( -1.259 5.549 0.000) 5.690 3.845 ( -2.301 9.543 0.000) 9.816 3.926 ( -0.875 5.653 0.000) 5.720 3.995 ( -11.060 7.037 0.000) 13.109 4.040 ( -0.202 8.217 0.000) 8.219 4.109 ( 1.452 7.309 0.000) 7.452 4.132 ( 3.540 6.852 0.000) 7.712 4.143 ( 0.992 1.530 0.000) 1.824 4.186 ( -2.430 9.061 0.000) 9.381 4.238 ( -9.270 9.465 0.000) 13.248 4.265 ( -9.161 4.229 0.000) 10.090 4.343 ( 0.589 7.961 0.000) 7.983 4.419 ( -1.594 8.432 0.000) 8.582 4.524 ( 8.313 -1.765 0.000) 8.498 4.681 ( 1.752 0.384 0.000) 1.794 4.722 ( -3.125 1.600 0.000) 3.511 4.776 ( 4.487 5.508 0.000) 7.104 4.821 ( 7.687 2.751 0.000) 8.164 4.904 ( -6.255 -0.031 0.000) 6.256 4.926 ( 2.500 1.308 0.000) 2.822 5.040 ( -4.450 -2.333 0.000) 5.024 5.075 ( 10.093 -1.295 0.000) 10.176 5.186 ( 9.727 6.319 0.000) 11.600 5.277 ( -2.664 -0.966 0.000) 2.834 5.303 ( -1.948 1.405 0.000) 2.402 5.407 ( -11.861 2.537 0.000) 12.129 5.459 ( -13.243 -1.377 0.000) 13.314 5.574 ( 2.358 -0.124 0.000) 2.361 5.623 ( 3.637 0.038 0.000) 3.637 5.669 ( -1.997 -2.501 0.000) 3.201 5.705 ( -5.583 0.009 0.000) 5.583 5.800 ( 4.655 0.266 0.000) 4.662 5.842 ( -1.976 2.319 0.000) 3.046 5.847 ( -1.915 0.176 0.000) 1.923 5.900 ( 2.155 1.959 0.000) 2.912 5.927 ( -2.919 1.150 0.000) 3.138 5.957 ( -3.932 4.266 0.000) 5.802 6.059 ( -3.050 -0.852 0.000) 3.167 6.094 ( -6.967 6.748 0.000) 9.699 6.108 ( 3.754 6.987 0.000) 7.932 6.145 ( -0.838 3.086 0.000) 3.198 6.195 ( -1.406 6.938 0.000) 7.079 6.218 ( -3.414 8.044 0.000) 8.738 6.400 ( 7.162 3.637 0.000) 8.033 6.555 ( -4.591 3.557 0.000) 5.808 6.717 ( 12.862 1.991 0.000) 13.015 6.811 ( 5.259 3.702 0.000) 6.432 6.859 ( 4.778 4.467 0.000) 6.541 6.873 ( 3.505 3.981 0.000) 5.304 6.951 ( 5.215 12.232 0.000) 13.297 6.968 ( 1.828 7.281 0.000) 7.507 7.052 ( 3.747 8.762 0.000) 9.530 7.090 ( 3.301 7.631 0.000) 8.315 7.140 ( 8.220 7.219 0.000) 10.940 7.219 ( -3.620 4.162 0.000) 5.515 7.284 ( 3.412 0.882 0.000) 3.524 7.317 ( 0.214 4.538 0.000) 4.543 7.322 ( 6.656 7.783 0.000) 10.241 7.355 ( 6.468 4.394 0.000) 7.819 7.420 ( 1.624 -1.581 0.000) 2.267 7.421 ( -4.426 0.701 0.000) 4.481 7.539 ( 23.906 1.446 0.000) 23.950 7.555 ( 6.859 2.025 0.000) 7.152 7.562 ( 8.717 2.049 0.000) 8.954 7.628 ( 2.259 3.574 0.000) 4.228 7.700 ( 5.473 2.334 0.000) 5.950 7.723 ( 0.790 3.347 0.000) 3.439 7.769 ( -6.213 3.065 0.000) 6.928 7.898 ( 14.229 -0.120 0.000) 14.229 7.917 ( -1.865 2.162 0.000) 2.855 8.121 ( -11.147 -3.713 0.000) 11.750 8.187 ( -13.154 1.375 0.000) 13.225 8.473 ( 2.388 0.146 0.000) 2.392 8.546 ( -9.964 1.619 0.000) 10.094 8.623 ( 11.045 -1.810 0.000) 11.193 8.720 ( 13.264 1.936 0.000) 13.404 8.814 ( 21.721 4.213 0.000) 22.125 8.824 ( 2.312 -1.447 0.000) 2.728 8.907 ( 11.784 -0.857 0.000) 11.815 9.033 ( 12.405 2.751 0.000) 12.707 9.058 ( 8.780 5.803 0.000) 10.525 9.126 ( 4.472 -0.690 0.000) 4.525 9.150 ( 7.116 4.767 0.000) 8.565 9.209 ( 9.143 0.472 0.000) 9.155 9.255 ( -1.646 -3.880 0.000) 4.215 9.382 ( 15.164 3.096 0.000) 15.476 9.459 ( 4.097 -4.466 0.000) 6.061 9.516 ( -12.036 -3.000 0.000) 12.405 9.554 ( 18.754 4.146 0.000) 19.207 9.600 ( 2.700 -2.863 0.000) 3.936 9.646 ( 4.899 3.529 0.000) 6.038 9.692 ( 2.833 -4.330 0.000) 5.174 9.727 ( -3.598 0.450 0.000) 3.626 9.745 ( 4.393 3.974 0.000) 5.924 9.867 ( -0.894 -2.238 0.000) 2.409 9.947 ( -6.334 0.363 0.000) 6.344 10.002 ( 12.405 -2.318 0.000) 12.619 10.066 ( 11.695 4.862 0.000) 12.666 10.079 ( -12.948 4.476 0.000) 13.700 10.175 ( -8.931 -0.323 0.000) 8.937 10.178 ( 35.664 3.264 0.000) 35.813 10.235 ( 5.693 -1.945 0.000) 6.016 10.246 ( 5.402 -6.573 0.000) 8.508 10.361 ( 22.074 2.286 0.000) 22.192 10.481 ( -7.303 -8.818 0.000) 11.450 10.511 ( -13.583 -7.098 0.000) 15.326 10.599 ( 20.979 -2.937 0.000) 21.184 10.782 ( 1.364 -5.530 0.000) 5.696 10.791 ( 13.340 1.069 0.000) 13.383 10.804 ( -15.725 -4.197 0.000) 16.275 10.830 ( 9.165 -1.488 0.000) 9.285 10.863 ( 10.615 4.295 0.000) 11.451 10.903 ( 1.303 2.137 0.000) 2.503 11.064 ( 4.154 -0.534 0.000) 4.188 11.104 ( 10.382 -1.400 0.000) 10.476 11.137 ( -17.556 -2.008 0.000) 17.670 11.200 ( -21.339 1.838 0.000) 21.418 11.298 ( -18.195 -2.448 0.000) 18.359 11.314 ( -6.223 -2.728 0.000) 6.795 11.410 ( 1.248 -2.672 0.000) 2.949 11.504 ( -13.517 -0.561 0.000) 13.528 11.510 ( -0.886 -2.301 0.000) 2.466 11.554 ( -13.038 1.625 0.000) 13.138 11.606 ( -24.238 -3.861 0.000) 24.543 11.633 ( -15.921 -0.636 0.000) 15.934 11.725 ( 1.923 1.717 0.000) 2.578 11.801 ( -19.841 -5.321 0.000) 20.542 12.002 ( 9.336 1.023 0.000) 9.392 12.056 ( -4.122 0.093 0.000) 4.123 12.255 ( -16.403 5.604 0.000) 17.334 12.259 ( 11.240 14.843 0.000) 18.619 12.267 ( 4.779 9.206 0.000) 10.373 12.421 ( -18.073 -0.139 0.000) 18.073 12.539 ( -14.319 9.902 0.000) 17.409 12.559 ( -12.135 11.586 0.000) 16.778 12.926 ( 20.242 0.349 0.000) 20.245 13.068 ( 23.393 0.853 0.000) 23.408 13.289 ( -12.789 -5.186 0.000) 13.800 13.447 ( -11.943 -1.929 0.000) 12.098 13.754 ( 5.257 -6.661 0.000) 8.485 13.804 ( 5.332 -6.255 0.000) 8.219 13.873 ( -3.806 -7.017 0.000) 7.982 13.893 ( -4.883 -6.245 0.000) 7.927 14.322 ( 6.556 -7.273 0.000) 9.792 14.327 ( 5.717 -11.560 0.000) 12.897 14.388 ( 0.995 -7.438 0.000) 7.505 14.391 ( -0.317 -8.345 0.000) 8.351 14.618 ( 10.013 -0.836 0.000) 10.048 14.718 ( 1.865 -2.241 0.000) 2.915 14.724 ( -0.757 -5.210 0.000) 5.265 14.864 ( -8.690 -1.018 0.000) 8.749 14.928 ( 4.967 -0.412 0.000) 4.984 14.936 ( 1.309 -4.623 0.000) 4.805 14.975 ( -0.359 -3.790 0.000) 3.807 15.047 ( 1.285 -5.863 0.000) 6.002 15.113 ( 4.273 -3.751 0.000) 5.686 15.129 ( -2.222 1.990 0.000) 2.983 15.172 ( 0.728 3.152 0.000) 3.235 15.180 ( 2.076 2.380 0.000) 3.158 15.279 ( 5.599 5.772 0.000) 8.042 15.395 ( -3.677 2.325 0.000) 4.351 15.460 ( 2.193 -8.317 0.000) 8.601 15.477 ( 0.118 -0.423 0.000) 0.440 15.552 ( 1.558 16.702 0.000) 16.775 15.563 ( 5.491 7.210 0.000) 9.063 15.624 ( -2.509 20.299 0.000) 20.453 15.672 ( -3.337 6.529 0.000) 7.332 15.884 ( 3.501 9.561 0.000) 10.182 15.916 ( 2.156 9.449 0.000) 9.692 15.940 ( -0.634 17.646 0.000) 17.657 15.946 ( 0.162 9.632 0.000) 9.633 16.223 ( 5.299 23.224 0.000) 23.821 16.285 ( 4.416 23.088 0.000) 23.506 16.380 ( -9.272 24.071 0.000) 25.795 16.435 ( -8.984 24.479 0.000) 26.075 17.073 ( 17.090 -0.610 0.000) 17.101 17.175 ( 18.011 -0.603 0.000) 18.021 17.521 ( -25.136 -8.153 0.000) 26.425 17.590 ( -21.184 -8.095 0.000) 22.678 22.354 ( 13.387 -31.255 0.000) 34.001 22.383 ( 16.406 -28.528 0.000) 32.909 22.511 ( 4.603 -20.444 0.000) 20.955 22.561 ( 5.417 -21.842 0.000) 22.504 22.787 ( 15.724 -14.260 0.000) 21.227 22.798 ( 18.583 -16.824 0.000) 25.067 22.871 ( 4.427 -17.946 0.000) 18.484 22.917 ( 0.776 -21.369 0.000) 21.383 23.212 ( -10.599 -18.034 0.000) 20.918 23.230 ( -11.640 -17.069 0.000) 20.660 23.277 ( -14.186 -14.144 0.000) 20.032 23.335 ( -17.142 -13.437 0.000) 21.781 ======================= Grid point 18 (11/50) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 34.741 0.000) 34.741 1.426 ( 0.000 34.676 0.000) 34.676 1.982 ( 0.000 21.138 0.000) 21.138 2.185 ( 0.000 18.770 0.000) 18.770 2.231 ( 0.000 40.677 0.000) 40.677 2.270 ( 0.000 25.127 0.000) 25.127 2.512 ( 0.000 27.314 0.000) 27.314 3.018 ( 0.000 15.278 0.000) 15.278 3.281 ( 0.000 23.205 0.000) 23.205 3.358 ( 0.000 18.782 0.000) 18.782 3.387 ( 0.000 27.419 0.000) 27.419 3.553 ( 0.000 20.717 0.000) 20.717 3.637 ( 0.000 17.934 0.000) 17.934 3.676 ( 0.000 16.684 0.000) 16.684 3.716 ( 0.000 12.825 0.000) 12.825 3.781 ( 0.000 19.003 0.000) 19.003 4.054 ( 0.000 -1.100 0.000) 1.100 4.066 ( 0.000 -10.596 0.000) 10.596 4.164 ( 0.000 2.766 0.000) 2.766 4.178 ( 0.000 8.700 0.000) 8.700 4.227 ( 0.000 5.100 0.000) 5.100 4.327 ( 0.000 4.490 0.000) 4.490 4.360 ( 0.000 2.712 0.000) 2.712 4.463 ( 0.000 -1.821 0.000) 1.821 4.593 ( 0.000 -0.216 0.000) 0.216 4.602 ( 0.000 26.447 0.000) 26.447 4.644 ( 0.000 -3.849 0.000) 3.849 4.706 ( 0.000 5.045 0.000) 5.045 4.788 ( 0.000 3.511 0.000) 3.511 4.917 ( 0.000 2.539 0.000) 2.539 4.918 ( 0.000 9.601 0.000) 9.601 5.029 ( 0.000 -2.723 0.000) 2.723 5.062 ( 0.000 -1.072 0.000) 1.072 5.159 ( 0.000 1.444 0.000) 1.444 5.223 ( 0.000 11.914 0.000) 11.914 5.264 ( 0.000 13.796 0.000) 13.796 5.317 ( 0.000 3.585 0.000) 3.585 5.399 ( 0.000 1.299 0.000) 1.299 5.426 ( 0.000 12.949 0.000) 12.949 5.436 ( 0.000 -0.204 0.000) 0.204 5.461 ( 0.000 5.782 0.000) 5.782 5.548 ( 0.000 7.594 0.000) 7.594 5.724 ( 0.000 9.545 0.000) 9.545 5.740 ( 0.000 8.132 0.000) 8.132 5.768 ( 0.000 11.998 0.000) 11.998 5.924 ( 0.000 5.107 0.000) 5.107 5.969 ( 0.000 0.771 0.000) 0.771 5.982 ( 0.000 5.935 0.000) 5.935 5.990 ( 0.000 2.458 0.000) 2.458 6.030 ( 0.000 17.530 0.000) 17.530 6.066 ( 0.000 7.214 0.000) 7.214 6.252 ( 0.000 5.034 0.000) 5.034 6.280 ( 0.000 16.094 0.000) 16.094 6.309 ( 0.000 4.807 0.000) 4.807 6.350 ( 0.000 11.158 0.000) 11.158 6.392 ( 0.000 17.075 0.000) 17.075 6.431 ( 0.000 6.382 0.000) 6.382 6.454 ( 0.000 16.012 0.000) 16.012 6.466 ( 0.000 14.051 0.000) 14.051 6.568 ( 0.000 10.012 0.000) 10.012 6.615 ( 0.000 21.499 0.000) 21.499 6.699 ( 0.000 6.545 0.000) 6.545 6.706 ( 0.000 13.527 0.000) 13.527 6.734 ( 0.000 3.900 0.000) 3.900 6.767 ( 0.000 6.610 0.000) 6.610 6.770 ( 0.000 7.350 0.000) 7.350 6.854 ( 0.000 21.818 0.000) 21.818 6.906 ( 0.000 16.218 0.000) 16.218 6.970 ( 0.000 11.066 0.000) 11.066 6.978 ( 0.000 12.166 0.000) 12.166 7.078 ( 0.000 1.344 0.000) 1.344 7.081 ( 0.000 15.416 0.000) 15.416 7.136 ( 0.000 9.172 0.000) 9.172 7.200 ( 0.000 7.181 0.000) 7.181 7.219 ( 0.000 0.713 0.000) 0.713 7.222 ( 0.000 13.049 0.000) 13.049 7.341 ( 0.000 13.627 0.000) 13.627 7.378 ( 0.000 6.676 0.000) 6.676 7.453 ( 0.000 21.029 0.000) 21.029 7.458 ( 0.000 5.114 0.000) 5.114 7.660 ( 0.000 9.545 0.000) 9.545 7.661 ( 0.000 5.901 0.000) 5.901 7.719 ( 0.000 5.938 0.000) 5.938 7.758 ( 0.000 18.288 0.000) 18.288 7.769 ( 0.000 2.945 0.000) 2.945 7.776 ( 0.000 -1.443 0.000) 1.443 7.886 ( 0.000 23.889 0.000) 23.889 7.898 ( 0.000 4.828 0.000) 4.828 8.014 ( 0.000 13.018 0.000) 13.018 8.139 ( 0.000 1.631 0.000) 1.631 8.188 ( 0.000 16.050 0.000) 16.050 8.195 ( 0.000 18.061 0.000) 18.061 8.324 ( 0.000 4.862 0.000) 4.862 8.359 ( 0.000 5.271 0.000) 5.271 8.552 ( 0.000 -16.000 0.000) 16.000 8.685 ( 0.000 -14.733 0.000) 14.733 8.700 ( 0.000 13.289 0.000) 13.289 8.752 ( 0.000 12.772 0.000) 12.772 8.787 ( 0.000 9.991 0.000) 9.991 8.832 ( 0.000 -10.584 0.000) 10.584 8.909 ( 0.000 1.002 0.000) 1.002 8.917 ( 0.000 11.870 0.000) 11.870 8.975 ( 0.000 -12.790 0.000) 12.790 9.183 ( 0.000 0.990 0.000) 0.990 9.199 ( 0.000 19.032 0.000) 19.032 9.222 ( 0.000 -0.817 0.000) 0.817 9.226 ( 0.000 9.460 0.000) 9.460 9.277 ( 0.000 17.717 0.000) 17.717 9.413 ( 0.000 16.261 0.000) 16.261 9.490 ( 0.000 4.026 0.000) 4.026 9.540 ( 0.000 6.808 0.000) 6.808 9.648 ( 0.000 1.431 0.000) 1.431 9.798 ( 0.000 -0.216 0.000) 0.216 10.001 ( 0.000 19.170 0.000) 19.170 10.003 ( 0.000 6.345 0.000) 6.345 10.065 ( 0.000 10.349 0.000) 10.349 10.170 ( 0.000 4.328 0.000) 4.328 10.296 ( 0.000 31.497 0.000) 31.497 10.373 ( 0.000 -3.709 0.000) 3.709 10.380 ( 0.000 14.147 0.000) 14.147 10.388 ( 0.000 20.734 0.000) 20.734 10.433 ( 0.000 3.785 0.000) 3.785 10.505 ( 0.000 10.503 0.000) 10.503 10.537 ( 0.000 16.312 0.000) 16.312 11.043 ( 0.000 -11.262 0.000) 11.262 11.139 ( 0.000 -10.080 0.000) 10.080 11.161 ( 0.000 -1.989 0.000) 1.989 11.236 ( 0.000 0.228 0.000) 0.228 11.371 ( 0.000 3.134 0.000) 3.134 11.437 ( 0.000 3.221 0.000) 3.221 11.679 ( 0.000 0.217 0.000) 0.217 11.700 ( 0.000 -14.437 0.000) 14.437 11.726 ( 0.000 1.011 0.000) 1.011 11.933 ( 0.000 -21.363 0.000) 21.363 12.080 ( 0.000 -10.827 0.000) 10.827 12.102 ( 0.000 -6.422 0.000) 6.422 12.121 ( 0.000 -19.333 0.000) 19.333 12.255 ( 0.000 -18.608 0.000) 18.608 12.539 ( 0.000 -16.718 0.000) 16.718 12.604 ( 0.000 -18.613 0.000) 18.613 12.718 ( 0.000 -16.861 0.000) 16.861 12.747 ( 0.000 -18.126 0.000) 18.126 12.837 ( 0.000 -19.126 0.000) 19.126 12.891 ( 0.000 -26.315 0.000) 26.315 12.906 ( 0.000 -28.276 0.000) 28.276 13.051 ( 0.000 -18.896 0.000) 18.896 13.126 ( 0.000 -14.240 0.000) 14.240 13.249 ( 0.000 -16.852 0.000) 16.852 13.274 ( 0.000 -3.041 0.000) 3.041 13.357 ( 0.000 -7.874 0.000) 7.874 13.379 ( 0.000 -8.027 0.000) 8.027 13.522 ( 0.000 -8.426 0.000) 8.426 13.556 ( 0.000 -12.942 0.000) 12.942 13.583 ( 0.000 -15.370 0.000) 15.370 13.628 ( 0.000 -2.830 0.000) 2.830 13.659 ( 0.000 -8.287 0.000) 8.287 13.709 ( 0.000 -8.827 0.000) 8.827 13.835 ( 0.000 -17.549 0.000) 17.549 13.916 ( 0.000 0.761 0.000) 0.761 13.917 ( 0.000 -15.818 0.000) 15.818 13.987 ( 0.000 -2.410 0.000) 2.410 13.993 ( 0.000 -8.149 0.000) 8.149 14.030 ( 0.000 -13.880 0.000) 13.880 14.163 ( 0.000 -11.562 0.000) 11.562 14.246 ( 0.000 -9.524 0.000) 9.524 14.273 ( 0.000 -3.922 0.000) 3.922 14.273 ( 0.000 -7.661 0.000) 7.661 14.351 ( 0.000 1.930 0.000) 1.930 14.606 ( 0.000 -15.395 0.000) 15.395 14.631 ( 0.000 -19.083 0.000) 19.083 14.710 ( 0.000 -14.527 0.000) 14.527 14.860 ( 0.000 -11.837 0.000) 11.837 15.067 ( 0.000 -4.168 0.000) 4.168 15.076 ( 0.000 -13.958 0.000) 13.958 15.083 ( 0.000 -11.776 0.000) 11.776 15.279 ( 0.000 -7.518 0.000) 7.518 15.291 ( 0.000 -8.303 0.000) 8.303 15.551 ( 0.000 -15.254 0.000) 15.254 15.677 ( 0.000 -5.061 0.000) 5.061 15.759 ( 0.000 3.798 0.000) 3.798 15.975 ( 0.000 7.595 0.000) 7.595 16.116 ( 0.000 13.925 0.000) 13.925 16.158 ( 0.000 10.865 0.000) 10.865 16.209 ( 0.000 15.985 0.000) 15.985 16.261 ( 0.000 12.843 0.000) 12.843 16.313 ( 0.000 16.351 0.000) 16.351 16.469 ( 0.000 8.871 0.000) 8.871 16.717 ( 0.000 -0.352 0.000) 0.352 16.923 ( 0.000 6.016 0.000) 6.016 17.172 ( 0.000 14.642 0.000) 14.642 18.336 ( 0.000 -34.114 0.000) 34.114 18.776 ( 0.000 -37.090 0.000) 37.090 20.981 ( 0.000 8.023 0.000) 8.023 21.386 ( 0.000 -12.652 0.000) 12.652 21.523 ( 0.000 -11.237 0.000) 11.237 21.711 ( 0.000 -9.555 0.000) 9.555 21.725 ( 0.000 -10.295 0.000) 10.295 22.094 ( 0.000 -16.003 0.000) 16.003 22.691 ( 0.000 -16.660 0.000) 16.660 22.713 ( 0.000 -15.919 0.000) 15.919 23.137 ( 0.000 -19.037 0.000) 19.037 23.144 ( 0.000 -18.899 0.000) 18.899 23.309 ( 0.000 -20.504 0.000) 20.504 23.336 ( 0.000 -18.763 0.000) 18.763 ======================= Grid point 19 (12/50) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 14.934 26.721 0.000) 30.611 1.721 ( 2.044 20.409 0.000) 20.511 2.054 ( 28.192 21.071 0.000) 35.196 2.303 ( 21.182 17.004 0.000) 27.163 2.521 ( 20.918 25.387 0.000) 32.895 2.558 ( 21.967 38.842 0.000) 44.623 2.856 ( 16.930 22.411 0.000) 28.087 3.144 ( 6.312 10.443 0.000) 12.203 3.221 ( -3.335 14.361 0.000) 14.744 3.446 ( 7.545 17.961 0.000) 19.482 3.646 ( 6.311 10.463 0.000) 12.219 3.711 ( 10.853 16.618 0.000) 19.848 3.731 ( 21.276 10.689 0.000) 23.810 3.770 ( -3.705 9.501 0.000) 10.198 3.783 ( 9.463 7.842 0.000) 12.290 4.003 ( 21.039 5.752 0.000) 21.811 4.039 ( -1.000 -8.595 0.000) 8.652 4.045 ( 0.059 -1.112 0.000) 1.114 4.166 ( -2.398 -0.333 0.000) 2.421 4.174 ( 1.500 0.984 0.000) 1.794 4.272 ( 1.135 -2.393 0.000) 2.649 4.306 ( -0.486 4.885 0.000) 4.909 4.407 ( 0.086 -7.717 0.000) 7.717 4.524 ( -2.743 -4.738 0.000) 5.475 4.573 ( -2.229 3.829 0.000) 4.431 4.657 ( -3.274 3.184 0.000) 4.567 4.667 ( 6.090 25.186 0.000) 25.912 4.775 ( 10.806 10.790 0.000) 15.271 4.809 ( 2.213 -2.520 0.000) 3.354 4.945 ( -0.285 6.581 0.000) 6.587 4.984 ( -2.975 0.587 0.000) 3.032 5.101 ( 4.721 10.517 0.000) 11.528 5.113 ( 4.210 0.794 0.000) 4.284 5.202 ( 1.396 12.204 0.000) 12.284 5.218 ( -8.055 -0.305 0.000) 8.061 5.266 ( 2.529 11.003 0.000) 11.290 5.335 ( 3.265 0.350 0.000) 3.284 5.447 ( -3.140 9.285 0.000) 9.802 5.475 ( 7.448 15.075 0.000) 16.815 5.585 ( 3.174 4.722 0.000) 5.689 5.604 ( 0.914 0.949 0.000) 1.317 5.618 ( 13.578 14.046 0.000) 19.536 5.702 ( -4.550 7.289 0.000) 8.593 5.716 ( -0.295 13.392 0.000) 13.396 5.835 ( -3.839 8.561 0.000) 9.383 5.872 ( 8.074 6.057 0.000) 10.094 5.945 ( -6.956 4.462 0.000) 8.264 5.979 ( 3.804 7.069 0.000) 8.028 6.032 ( 7.023 6.017 0.000) 9.249 6.043 ( 4.412 -1.466 0.000) 4.649 6.150 ( 3.710 9.002 0.000) 9.736 6.162 ( -1.568 8.675 0.000) 8.815 6.194 ( -5.941 3.181 0.000) 6.739 6.211 ( 1.776 9.615 0.000) 9.777 6.287 ( -1.808 8.608 0.000) 8.795 6.423 ( 1.339 -1.709 0.000) 2.171 6.426 ( 0.223 12.670 0.000) 12.672 6.479 ( -0.580 11.740 0.000) 11.754 6.527 ( 5.329 10.595 0.000) 11.859 6.558 ( 3.705 17.025 0.000) 17.423 6.658 ( -10.099 9.581 0.000) 13.920 6.674 ( -0.888 18.041 0.000) 18.063 6.692 ( 6.082 13.796 0.000) 15.077 6.771 ( 2.000 12.498 0.000) 12.657 6.815 ( 6.569 10.695 0.000) 12.551 6.849 ( 6.898 3.187 0.000) 7.599 6.862 ( -1.418 6.009 0.000) 6.174 6.980 ( 13.681 8.478 0.000) 16.095 7.014 ( 2.472 13.721 0.000) 13.942 7.068 ( 5.374 2.629 0.000) 5.983 7.096 ( 2.909 11.393 0.000) 11.759 7.195 ( 3.909 5.541 0.000) 6.781 7.229 ( -1.609 17.133 0.000) 17.209 7.246 ( 4.420 0.837 0.000) 4.499 7.337 ( 3.250 5.890 0.000) 6.727 7.351 ( -1.315 16.425 0.000) 16.477 7.368 ( 5.096 7.929 0.000) 9.425 7.445 ( 24.921 17.848 0.000) 30.653 7.469 ( 14.913 8.718 0.000) 17.274 7.576 ( 9.017 10.272 0.000) 13.669 7.710 ( 10.210 10.776 0.000) 14.845 7.737 ( 10.937 7.434 0.000) 13.224 7.781 ( -1.077 8.765 0.000) 8.831 7.786 ( 5.407 11.128 0.000) 12.372 7.854 ( 9.187 5.007 0.000) 10.463 7.917 ( 6.696 20.556 0.000) 21.619 7.943 ( 19.679 7.697 0.000) 21.131 8.050 ( 3.822 2.806 0.000) 4.741 8.074 ( 10.203 18.413 0.000) 21.050 8.122 ( -5.659 3.265 0.000) 6.534 8.205 ( -5.257 4.664 0.000) 7.028 8.260 ( 4.378 14.563 0.000) 15.207 8.280 ( 8.871 10.941 0.000) 14.086 8.390 ( 4.434 0.143 0.000) 4.436 8.644 ( 3.793 -7.665 0.000) 8.552 8.688 ( -4.679 1.199 0.000) 4.830 8.772 ( 5.495 12.146 0.000) 13.331 8.816 ( 5.859 8.130 0.000) 10.022 8.834 ( 10.720 14.979 0.000) 18.420 8.911 ( -4.826 1.244 0.000) 4.984 8.945 ( 8.282 2.944 0.000) 8.789 9.042 ( 14.778 -2.982 0.000) 15.076 9.085 ( 14.982 -6.322 0.000) 16.261 9.192 ( 5.853 5.751 0.000) 8.206 9.244 ( 2.441 3.486 0.000) 4.256 9.266 ( 2.561 13.422 0.000) 13.664 9.316 ( 8.308 -0.456 0.000) 8.320 9.385 ( 0.862 12.269 0.000) 12.299 9.426 ( 14.753 11.485 0.000) 18.697 9.580 ( 2.713 2.564 0.000) 3.733 9.604 ( 8.223 7.388 0.000) 11.054 9.795 ( 12.051 2.332 0.000) 12.274 9.852 ( 3.559 5.321 0.000) 6.402 9.934 ( 1.366 8.354 0.000) 8.465 10.015 ( -3.465 8.459 0.000) 9.141 10.077 ( -0.773 11.368 0.000) 11.394 10.178 ( -1.624 14.143 0.000) 14.236 10.227 ( 3.968 1.460 0.000) 4.228 10.362 ( -1.132 14.080 0.000) 14.126 10.381 ( -3.354 14.882 0.000) 15.255 10.415 ( -0.998 3.489 0.000) 3.629 10.476 ( 5.994 16.237 0.000) 17.308 10.546 ( 3.978 9.252 0.000) 10.071 10.742 ( 17.509 12.670 0.000) 21.612 10.893 ( -9.962 -5.331 0.000) 11.298 10.946 ( -7.319 -2.578 0.000) 7.759 11.270 ( 0.414 -1.240 0.000) 1.308 11.295 ( 3.269 -3.579 0.000) 4.847 11.391 ( -5.890 -3.455 0.000) 6.829 11.524 ( -9.228 -8.275 0.000) 12.395 11.532 ( 3.068 -8.715 0.000) 9.240 11.670 ( -4.538 2.501 0.000) 5.182 11.689 ( 2.557 6.693 0.000) 7.165 11.763 ( -11.152 -16.918 0.000) 20.263 11.910 ( -13.483 -15.357 0.000) 20.436 12.029 ( -7.865 -8.721 0.000) 11.743 12.103 ( -1.889 -14.114 0.000) 14.240 12.181 ( -7.767 -15.955 0.000) 17.745 12.459 ( -8.835 -16.288 0.000) 18.529 12.516 ( -3.786 -15.086 0.000) 15.554 12.582 ( -10.628 -16.739 0.000) 19.828 12.723 ( -6.906 -13.739 0.000) 15.377 12.768 ( -9.681 -23.411 0.000) 25.334 12.824 ( -5.955 -21.737 0.000) 22.538 12.851 ( -0.875 -15.375 0.000) 15.400 13.005 ( -6.630 -18.312 0.000) 19.475 13.115 ( -2.776 -18.018 0.000) 18.230 13.222 ( -4.124 -3.425 0.000) 5.361 13.268 ( 0.804 -5.704 0.000) 5.760 13.315 ( -4.058 -7.473 0.000) 8.504 13.419 ( -3.334 -10.955 0.000) 11.451 13.450 ( -5.179 -10.761 0.000) 11.942 13.452 ( -5.122 -13.765 0.000) 14.688 13.554 ( -4.090 -9.124 0.000) 9.999 13.578 ( 0.905 -11.078 0.000) 11.115 13.659 ( -1.000 -5.762 0.000) 5.848 13.684 ( -1.585 -11.575 0.000) 11.683 13.801 ( 3.328 -5.872 0.000) 6.749 13.887 ( -1.202 -14.215 0.000) 14.266 13.957 ( 3.986 -11.423 0.000) 12.098 14.058 ( 8.448 -7.365 0.000) 11.208 14.115 ( 7.736 1.646 0.000) 7.910 14.192 ( 6.654 -13.062 0.000) 14.659 14.256 ( 12.378 -5.145 0.000) 13.405 14.262 ( 8.933 -8.109 0.000) 12.065 14.403 ( 6.297 -8.251 0.000) 10.379 14.407 ( 8.041 -4.012 0.000) 8.986 14.418 ( 9.863 -5.938 0.000) 11.512 14.654 ( 4.247 -18.538 0.000) 19.018 14.710 ( 1.233 -12.935 0.000) 12.993 14.711 ( 6.896 -9.728 0.000) 11.924 15.035 ( 12.076 -10.208 0.000) 15.813 15.065 ( 1.454 -8.544 0.000) 8.667 15.132 ( 3.200 -8.523 0.000) 9.104 15.227 ( 9.314 -11.556 0.000) 14.842 15.249 ( -1.676 -6.392 0.000) 6.608 15.302 ( 3.392 -6.889 0.000) 7.678 15.524 ( -1.255 -13.574 0.000) 13.632 15.680 ( 1.081 -1.226 0.000) 1.635 15.728 ( 1.870 9.554 0.000) 9.736 16.066 ( -1.782 17.090 0.000) 17.183 16.103 ( 0.921 16.979 0.000) 17.004 16.194 ( 4.051 11.176 0.000) 11.888 16.217 ( -3.056 13.296 0.000) 13.643 16.378 ( 9.990 17.450 0.000) 20.107 16.430 ( 8.448 18.116 0.000) 19.989 16.693 ( 23.015 -3.873 0.000) 23.339 16.858 ( 12.633 -0.591 0.000) 12.647 17.059 ( 12.305 5.584 0.000) 13.512 17.208 ( 3.292 16.668 0.000) 16.990 18.241 ( -9.139 -30.943 0.000) 32.265 18.614 ( -15.343 -33.537 0.000) 36.880 20.948 ( -4.063 0.332 0.000) 4.077 21.292 ( -6.006 -15.033 0.000) 16.189 21.328 ( -29.287 -10.176 0.000) 31.004 21.464 ( -3.608 -14.468 0.000) 14.911 21.583 ( -7.354 -14.284 0.000) 16.066 21.949 ( -5.829 -14.932 0.000) 16.030 22.755 ( 2.953 -18.592 0.000) 18.825 22.831 ( 4.155 -19.843 0.000) 20.273 23.162 ( 1.020 -19.735 0.000) 19.761 23.177 ( 2.489 -20.232 0.000) 20.384 23.316 ( 0.231 -20.956 0.000) 20.958 23.362 ( 1.746 -19.585 0.000) 19.663 ======================= Grid point 20 (13/50) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 5.426 11.606 0.000) 12.812 1.995 ( 26.861 14.692 0.000) 30.617 2.509 ( 9.536 14.842 0.000) 17.641 2.738 ( 19.796 10.045 0.000) 22.199 2.757 ( -4.830 12.781 0.000) 13.664 2.947 ( 17.564 17.582 0.000) 24.852 3.216 ( 2.660 2.586 0.000) 3.710 3.264 ( 2.008 12.190 0.000) 12.354 3.333 ( 8.851 12.201 0.000) 15.073 3.508 ( 7.230 1.896 0.000) 7.474 3.537 ( -5.819 7.063 0.000) 9.151 3.755 ( -0.592 4.712 0.000) 4.749 3.868 ( -5.032 0.813 0.000) 5.098 3.891 ( 2.477 3.700 0.000) 4.452 4.010 ( 1.355 -1.910 0.000) 2.342 4.050 ( 2.449 -2.147 0.000) 3.257 4.108 ( 3.333 1.369 0.000) 3.603 4.155 ( 0.094 -1.783 0.000) 1.785 4.211 ( -0.380 2.303 0.000) 2.334 4.235 ( 4.663 4.741 0.000) 6.650 4.318 ( -6.603 -4.982 0.000) 8.272 4.402 ( 15.214 6.357 0.000) 16.488 4.452 ( 1.435 2.146 0.000) 2.582 4.513 ( -0.297 -3.052 0.000) 3.067 4.587 ( -6.325 3.044 0.000) 7.020 4.660 ( -1.332 2.018 0.000) 2.418 4.697 ( 9.895 7.786 0.000) 12.592 4.730 ( -8.293 5.230 0.000) 9.804 4.765 ( -12.785 9.400 0.000) 15.869 4.836 ( 4.961 2.915 0.000) 5.754 4.891 ( -1.522 14.611 0.000) 14.690 5.004 ( -6.707 4.912 0.000) 8.313 5.170 ( -2.397 6.800 0.000) 7.210 5.178 ( -12.219 6.880 0.000) 14.023 5.245 ( 4.775 1.497 0.000) 5.004 5.280 ( 5.686 4.190 0.000) 7.064 5.361 ( -2.343 3.385 0.000) 4.117 5.391 ( 3.595 7.090 0.000) 7.949 5.406 ( -14.025 2.003 0.000) 14.167 5.463 ( -0.771 9.874 0.000) 9.904 5.585 ( 2.481 14.156 0.000) 14.372 5.683 ( 1.845 0.760 0.000) 1.995 5.726 ( 3.128 9.308 0.000) 9.819 5.757 ( -2.286 5.484 0.000) 5.941 5.774 ( -2.147 0.381 0.000) 2.180 5.913 ( 3.914 0.611 0.000) 3.961 5.935 ( 2.139 6.910 0.000) 7.233 6.018 ( -1.961 5.571 0.000) 5.906 6.029 ( -0.017 4.419 0.000) 4.419 6.137 ( -1.767 9.182 0.000) 9.350 6.160 ( 0.140 5.441 0.000) 5.442 6.203 ( -1.057 5.090 0.000) 5.199 6.240 ( -0.665 8.583 0.000) 8.609 6.311 ( 3.312 2.398 0.000) 4.089 6.353 ( 0.980 7.012 0.000) 7.080 6.378 ( -1.997 10.202 0.000) 10.396 6.474 ( -0.131 9.882 0.000) 9.883 6.538 ( 8.947 0.736 0.000) 8.978 6.571 ( 9.797 6.335 0.000) 11.667 6.603 ( 0.703 8.740 0.000) 8.768 6.736 ( 2.316 15.467 0.000) 15.640 6.743 ( -5.624 12.211 0.000) 13.444 6.779 ( 9.515 15.875 0.000) 18.508 6.838 ( 10.372 19.335 0.000) 21.941 6.893 ( 4.106 19.041 0.000) 19.479 6.962 ( 2.766 8.657 0.000) 9.088 6.982 ( 10.635 6.523 0.000) 12.476 7.008 ( 1.523 5.576 0.000) 5.780 7.078 ( 7.969 3.568 0.000) 8.731 7.178 ( 10.523 3.154 0.000) 10.985 7.200 ( 8.219 3.487 0.000) 8.929 7.238 ( -1.040 0.940 0.000) 1.402 7.323 ( 6.774 8.859 0.000) 11.152 7.409 ( 1.455 10.069 0.000) 10.173 7.444 ( 1.257 2.449 0.000) 2.752 7.470 ( 10.164 4.781 0.000) 11.233 7.511 ( 12.245 5.435 0.000) 13.397 7.660 ( 6.987 4.273 0.000) 8.191 7.773 ( 5.906 4.207 0.000) 7.252 7.830 ( -5.295 7.393 0.000) 9.093 7.831 ( 0.054 2.903 0.000) 2.903 7.919 ( 10.305 9.218 0.000) 13.826 7.926 ( 3.807 6.286 0.000) 7.349 8.015 ( 7.221 -1.455 0.000) 7.366 8.095 ( 18.487 11.426 0.000) 21.733 8.112 ( 10.074 23.826 0.000) 25.869 8.124 ( 0.108 13.487 0.000) 13.488 8.225 ( 26.200 10.813 0.000) 28.344 8.267 ( 19.012 15.445 0.000) 24.495 8.353 ( 8.495 7.409 0.000) 11.273 8.415 ( 2.207 8.344 0.000) 8.631 8.475 ( 17.058 7.521 0.000) 18.643 8.500 ( 24.929 11.291 0.000) 27.367 8.502 ( 9.566 4.672 0.000) 10.646 8.665 ( 11.233 7.315 0.000) 13.404 8.771 ( 11.693 7.618 0.000) 13.956 8.871 ( 9.938 6.563 0.000) 11.910 8.923 ( 8.801 8.568 0.000) 12.283 8.999 ( 8.948 4.890 0.000) 10.197 9.117 ( 12.268 -1.836 0.000) 12.405 9.194 ( 17.580 3.357 0.000) 17.898 9.260 ( 4.347 -0.760 0.000) 4.413 9.303 ( 6.473 6.088 0.000) 8.886 9.345 ( 2.359 -5.066 0.000) 5.588 9.402 ( 7.406 8.635 0.000) 11.376 9.463 ( 13.168 14.271 0.000) 19.418 9.496 ( 7.818 -1.878 0.000) 8.040 9.547 ( 15.364 4.878 0.000) 16.120 9.684 ( 10.596 0.645 0.000) 10.616 9.780 ( 5.565 4.907 0.000) 7.420 9.811 ( 20.570 9.408 0.000) 22.620 9.930 ( 2.143 0.146 0.000) 2.148 9.938 ( -2.120 9.527 0.000) 9.760 9.957 ( 0.800 9.971 0.000) 10.003 10.042 ( 1.277 2.305 0.000) 2.635 10.056 ( 11.807 0.414 0.000) 11.814 10.238 ( 2.811 8.164 0.000) 8.635 10.343 ( 3.434 10.775 0.000) 11.309 10.375 ( 6.609 11.671 0.000) 13.412 10.381 ( 8.550 -0.832 0.000) 8.591 10.432 ( 5.558 2.483 0.000) 6.088 10.515 ( -0.609 2.101 0.000) 2.188 10.735 ( 10.566 9.761 0.000) 14.385 10.753 ( -4.145 3.781 0.000) 5.611 10.876 ( -5.080 3.670 0.000) 6.267 10.950 ( -0.696 0.881 0.000) 1.123 11.036 ( -17.558 -12.729 0.000) 21.686 11.191 ( -10.269 -3.583 0.000) 10.876 11.273 ( -5.425 -5.409 0.000) 7.661 11.349 ( -8.465 -6.054 0.000) 10.407 11.501 ( 2.228 -8.126 0.000) 8.425 11.622 ( -13.381 -11.931 0.000) 17.927 11.656 ( 4.951 -1.922 0.000) 5.311 11.733 ( 5.096 9.180 0.000) 10.499 11.804 ( -2.376 -10.548 0.000) 10.813 11.944 ( -12.640 -11.600 0.000) 17.156 11.959 ( 9.318 10.845 0.000) 14.298 11.999 ( -7.293 -7.696 0.000) 10.602 12.216 ( -12.310 -10.726 0.000) 16.327 12.323 ( -11.143 -11.319 0.000) 15.883 12.369 ( -15.343 -12.548 0.000) 19.821 12.472 ( -18.083 -15.908 0.000) 24.085 12.475 ( -16.110 -10.484 0.000) 19.221 12.686 ( -2.849 -10.548 0.000) 10.926 12.722 ( -17.463 -16.661 0.000) 24.136 12.783 ( -8.979 -5.737 0.000) 10.655 13.012 ( -10.417 -11.759 0.000) 15.709 13.073 ( -15.491 -7.751 0.000) 17.322 13.210 ( -10.409 1.348 0.000) 10.496 13.263 ( -1.828 6.917 0.000) 7.155 13.267 ( 0.455 -7.723 0.000) 7.736 13.384 ( -1.542 -10.703 0.000) 10.814 13.390 ( 1.098 -12.078 0.000) 12.128 13.543 ( -3.881 -10.581 0.000) 11.270 13.606 ( 6.013 -13.284 0.000) 14.582 13.682 ( 6.445 -9.972 0.000) 11.873 13.682 ( 3.039 -12.715 0.000) 13.073 13.861 ( -0.117 -11.069 0.000) 11.070 13.957 ( 9.610 -7.237 0.000) 12.030 14.106 ( 8.807 -9.495 0.000) 12.951 14.315 ( 9.926 1.764 0.000) 10.081 14.341 ( 15.757 -9.506 0.000) 18.403 14.419 ( 15.220 -10.280 0.000) 18.366 14.456 ( 9.479 -8.654 0.000) 12.836 14.526 ( 10.162 -3.323 0.000) 10.692 14.552 ( 9.996 -7.195 0.000) 12.316 14.586 ( 8.591 1.314 0.000) 8.691 14.655 ( 10.642 -5.881 0.000) 12.159 14.760 ( 5.656 -11.229 0.000) 12.574 14.830 ( 9.860 -14.624 0.000) 17.638 14.837 ( 6.203 -5.185 0.000) 8.085 15.118 ( 2.494 -7.732 0.000) 8.124 15.188 ( 1.721 -7.255 0.000) 7.456 15.197 ( -0.283 -8.351 0.000) 8.356 15.278 ( 5.824 -6.033 0.000) 8.385 15.294 ( 3.230 -7.314 0.000) 7.996 15.461 ( 6.587 -0.903 0.000) 6.648 15.598 ( 9.620 -9.754 0.000) 13.699 15.763 ( 7.009 3.603 0.000) 7.881 15.803 ( 3.913 11.356 0.000) 12.011 16.072 ( -0.474 19.432 0.000) 19.438 16.072 ( 1.325 19.227 0.000) 19.273 16.170 ( -1.620 15.893 0.000) 15.975 16.323 ( 8.560 13.345 0.000) 15.855 16.517 ( 1.708 24.238 0.000) 24.298 16.542 ( 5.870 22.440 0.000) 23.195 17.125 ( 10.965 11.517 0.000) 15.902 17.199 ( 17.475 9.533 0.000) 19.906 17.271 ( 3.353 21.695 0.000) 21.952 17.325 ( 7.920 19.605 0.000) 21.144 17.975 ( -15.660 -24.335 0.000) 28.938 18.182 ( -24.646 -26.159 0.000) 35.940 20.871 ( 1.102 -29.518 0.000) 29.538 20.896 ( -7.468 -33.137 0.000) 33.968 21.287 ( 7.431 -24.984 0.000) 26.066 21.465 ( 4.372 -21.486 0.000) 21.926 21.607 ( 10.563 -15.366 0.000) 18.647 21.911 ( 2.721 -15.937 0.000) 16.168 22.728 ( -6.105 -23.634 0.000) 24.410 22.804 ( -6.463 -24.125 0.000) 24.976 23.145 ( -3.507 -22.414 0.000) 22.687 23.183 ( -2.910 -22.896 0.000) 23.080 23.293 ( -3.161 -22.055 0.000) 22.280 23.369 ( -1.977 -21.167 0.000) 21.259 ======================= Grid point 21 (14/50) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 11.531 3.544 0.000) 12.064 2.364 ( -12.694 -1.725 0.000) 12.810 2.450 ( 12.154 7.168 0.000) 14.110 2.813 ( 3.324 1.903 0.000) 3.830 2.980 ( -10.067 -4.395 0.000) 10.984 3.063 ( 6.614 1.863 0.000) 6.871 3.082 ( -8.939 -4.906 0.000) 10.196 3.203 ( -16.697 -6.050 0.000) 17.759 3.445 ( 6.074 3.855 0.000) 7.194 3.446 ( 4.895 4.821 0.000) 6.870 3.548 ( -4.226 6.501 0.000) 7.754 3.596 ( -8.961 2.472 0.000) 9.296 3.699 ( -2.272 10.338 0.000) 10.585 3.914 ( -5.627 3.019 0.000) 6.386 4.045 ( 3.785 7.000 0.000) 7.957 4.051 ( 6.263 2.943 0.000) 6.921 4.155 ( -6.990 2.992 0.000) 7.603 4.180 ( -5.331 5.477 0.000) 7.643 4.253 ( -3.833 1.677 0.000) 4.184 4.269 ( -3.738 -0.374 0.000) 3.757 4.326 ( -1.169 3.486 0.000) 3.676 4.334 ( 4.043 5.805 0.000) 7.075 4.379 ( 0.742 5.686 0.000) 5.735 4.436 ( -3.439 5.048 0.000) 6.108 4.516 ( -2.585 2.774 0.000) 3.792 4.569 ( -6.546 -1.415 0.000) 6.697 4.626 ( -0.227 3.809 0.000) 3.816 4.738 ( 9.182 6.720 0.000) 11.379 4.789 ( -1.908 8.630 0.000) 8.839 4.833 ( -7.018 3.134 0.000) 7.686 4.881 ( -8.908 6.246 0.000) 10.880 4.954 ( 0.362 0.432 0.000) 0.564 4.982 ( 2.286 3.915 0.000) 4.534 5.052 ( -6.230 -2.217 0.000) 6.613 5.122 ( -6.934 2.138 0.000) 7.256 5.289 ( 0.194 13.321 0.000) 13.323 5.298 ( -0.089 7.490 0.000) 7.491 5.411 ( -0.819 -0.567 0.000) 0.996 5.472 ( 4.183 2.704 0.000) 4.980 5.616 ( 5.804 3.583 0.000) 6.821 5.633 ( 0.048 1.111 0.000) 1.112 5.703 ( -7.167 1.593 0.000) 7.342 5.707 ( 5.639 7.303 0.000) 9.227 5.740 ( -2.008 0.066 0.000) 2.009 5.839 ( 0.519 -1.440 0.000) 1.530 5.887 ( -3.833 5.374 0.000) 6.601 5.899 ( -9.022 -0.704 0.000) 9.050 6.051 ( -6.533 6.005 0.000) 8.874 6.065 ( 7.721 2.998 0.000) 8.283 6.129 ( -1.856 8.028 0.000) 8.240 6.151 ( -0.695 9.234 0.000) 9.260 6.184 ( -2.406 4.405 0.000) 5.019 6.216 ( -5.350 -0.571 0.000) 5.380 6.303 ( 15.110 7.830 0.000) 17.019 6.308 ( -3.172 5.378 0.000) 6.244 6.463 ( -2.075 11.332 0.000) 11.521 6.528 ( -3.838 7.033 0.000) 8.012 6.553 ( -1.031 8.400 0.000) 8.463 6.629 ( 19.188 6.957 0.000) 20.411 6.751 ( 11.675 7.879 0.000) 14.085 6.772 ( 5.810 10.935 0.000) 12.383 6.847 ( 14.127 7.148 0.000) 15.833 6.954 ( 1.199 1.636 0.000) 2.028 6.959 ( 5.678 9.326 0.000) 10.918 7.025 ( 8.972 16.044 0.000) 18.382 7.110 ( 8.243 7.783 0.000) 11.337 7.163 ( 8.529 10.287 0.000) 13.363 7.194 ( 7.897 9.790 0.000) 12.577 7.208 ( 3.522 7.684 0.000) 8.452 7.299 ( 2.682 3.658 0.000) 4.536 7.310 ( 8.047 0.557 0.000) 8.066 7.378 ( 0.848 6.250 0.000) 6.307 7.394 ( 4.140 5.509 0.000) 6.891 7.452 ( 2.396 0.827 0.000) 2.535 7.504 ( 4.088 2.508 0.000) 4.796 7.533 ( 6.495 10.367 0.000) 12.233 7.730 ( -0.387 13.743 0.000) 13.748 7.764 ( -2.699 7.894 0.000) 8.343 7.830 ( 4.043 3.065 0.000) 5.074 7.873 ( 0.323 2.481 0.000) 2.502 7.918 ( 14.893 0.949 0.000) 14.923 7.964 ( -3.299 11.542 0.000) 12.005 7.988 ( -3.156 11.719 0.000) 12.137 7.995 ( -0.345 -0.216 0.000) 0.407 8.138 ( 8.592 0.073 0.000) 8.592 8.280 ( 12.764 7.281 0.000) 14.694 8.393 ( 2.763 0.321 0.000) 2.782 8.415 ( 9.507 9.222 0.000) 13.245 8.528 ( 12.643 4.117 0.000) 13.297 8.629 ( 12.016 10.472 0.000) 15.938 8.693 ( 9.576 -3.107 0.000) 10.068 8.728 ( 16.777 8.245 0.000) 18.693 8.864 ( 13.848 5.508 0.000) 14.903 8.971 ( 13.082 -0.018 0.000) 13.082 9.012 ( 5.242 -1.982 0.000) 5.605 9.065 ( 17.942 8.439 0.000) 19.827 9.149 ( 7.411 4.029 0.000) 8.435 9.161 ( -1.127 3.352 0.000) 3.536 9.233 ( 0.822 -5.980 0.000) 6.037 9.240 ( 30.272 9.438 0.000) 31.709 9.350 ( 12.662 4.306 0.000) 13.374 9.373 ( 6.194 -1.472 0.000) 6.366 9.488 ( 9.669 7.555 0.000) 12.271 9.541 ( -2.836 -4.030 0.000) 4.928 9.572 ( 8.286 11.633 0.000) 14.283 9.597 ( 10.325 0.563 0.000) 10.340 9.619 ( 5.633 -3.034 0.000) 6.398 9.760 ( 11.507 0.073 0.000) 11.507 9.830 ( 1.972 5.289 0.000) 5.645 9.912 ( 7.071 11.312 0.000) 13.340 9.931 ( 1.795 -4.202 0.000) 4.569 9.987 ( -1.126 1.940 0.000) 2.243 10.030 ( 13.483 1.720 0.000) 13.592 10.058 ( 10.239 -0.275 0.000) 10.243 10.216 ( 7.131 4.329 0.000) 8.342 10.253 ( 5.245 6.842 0.000) 8.621 10.445 ( 6.094 6.054 0.000) 8.590 10.449 ( -4.427 0.615 0.000) 4.469 10.456 ( -4.047 2.928 0.000) 4.995 10.550 ( 1.633 2.269 0.000) 2.795 10.568 ( -0.008 -2.371 0.000) 2.371 10.596 ( 9.125 1.401 0.000) 9.232 10.624 ( 4.703 -0.317 0.000) 4.713 10.684 ( 14.246 -0.383 0.000) 14.251 10.804 ( -8.803 -4.704 0.000) 9.981 10.896 ( -3.177 -2.435 0.000) 4.003 10.959 ( 0.378 3.274 0.000) 3.296 10.983 ( -5.032 -0.779 0.000) 5.092 11.204 ( 0.656 -1.257 0.000) 1.418 11.276 ( 3.366 -2.890 0.000) 4.437 11.413 ( -1.361 -3.975 0.000) 4.201 11.435 ( -0.224 -4.637 0.000) 4.643 11.570 ( -17.323 -7.082 0.000) 18.715 11.641 ( -14.037 -4.965 0.000) 14.889 11.711 ( -14.259 -5.135 0.000) 15.155 11.756 ( -10.661 -5.718 0.000) 12.097 11.897 ( -12.129 -1.219 0.000) 12.190 11.910 ( -19.574 -5.544 0.000) 20.344 12.059 ( -12.218 -4.539 0.000) 13.034 12.090 ( -3.238 1.072 0.000) 3.410 12.144 ( -2.163 -0.146 0.000) 2.167 12.229 ( -26.176 -9.864 0.000) 27.973 12.371 ( 13.252 -1.721 0.000) 13.364 12.383 ( 7.438 -0.545 0.000) 7.458 12.591 ( -12.606 2.346 0.000) 12.822 12.616 ( -2.666 -2.212 0.000) 3.464 12.621 ( -18.689 -1.316 0.000) 18.735 12.784 ( -1.227 2.713 0.000) 2.978 13.011 ( -10.019 9.678 0.000) 13.930 13.163 ( -7.295 13.983 0.000) 15.772 13.251 ( -2.119 -9.670 0.000) 9.899 13.412 ( 1.469 -9.994 0.000) 10.101 13.490 ( 4.112 -11.222 0.000) 11.952 13.513 ( 3.930 -10.173 0.000) 10.905 13.685 ( 1.378 -11.269 0.000) 11.353 13.828 ( -0.674 -9.849 0.000) 9.872 13.881 ( 11.466 -11.634 0.000) 16.335 13.897 ( 12.658 -10.492 0.000) 16.441 14.158 ( 8.561 -5.414 0.000) 10.129 14.252 ( 3.992 -6.692 0.000) 7.792 14.484 ( 5.860 1.515 0.000) 6.052 14.554 ( 4.605 -8.717 0.000) 9.859 14.626 ( 6.020 -4.708 0.000) 7.642 14.705 ( 8.522 -10.381 0.000) 13.431 14.712 ( 4.174 -3.337 0.000) 5.343 14.735 ( 11.335 -3.231 0.000) 11.786 14.789 ( 10.836 -5.188 0.000) 12.014 14.824 ( 5.401 -5.883 0.000) 7.986 14.928 ( 8.832 -6.621 0.000) 11.038 14.996 ( 7.292 -3.223 0.000) 7.973 14.999 ( 2.287 -7.507 0.000) 7.848 15.133 ( 0.688 -12.109 0.000) 12.129 15.147 ( 0.783 -6.968 0.000) 7.012 15.264 ( 6.150 -1.777 0.000) 6.401 15.345 ( 3.055 0.619 0.000) 3.117 15.426 ( 6.406 -3.461 0.000) 7.281 15.668 ( 12.088 11.625 0.000) 16.771 15.821 ( 12.292 -4.687 0.000) 13.155 15.878 ( 4.257 15.326 0.000) 15.907 15.934 ( 9.391 6.601 0.000) 11.479 16.042 ( -0.414 22.626 0.000) 22.629 16.156 ( 0.544 17.684 0.000) 17.693 16.185 ( 6.249 23.967 0.000) 24.768 16.515 ( -2.166 27.836 0.000) 27.920 16.536 ( 10.823 17.023 0.000) 20.172 16.654 ( 6.530 23.552 0.000) 24.440 17.221 ( -3.145 30.396 0.000) 30.558 17.276 ( -2.957 26.857 0.000) 27.019 17.290 ( -8.507 35.461 0.000) 36.467 17.342 ( -5.090 29.743 0.000) 30.175 17.642 ( -15.369 -20.998 0.000) 26.022 17.693 ( -19.775 -23.127 0.000) 30.429 21.034 ( 18.049 -52.229 0.000) 55.260 21.095 ( 19.676 -49.254 0.000) 53.039 21.593 ( 20.368 -33.194 0.000) 38.945 21.680 ( 15.924 -28.886 0.000) 32.985 21.953 ( 21.081 -18.124 0.000) 27.801 22.077 ( 13.018 -18.852 0.000) 22.910 22.511 ( -14.010 -30.551 0.000) 33.610 22.581 ( -14.488 -30.419 0.000) 33.693 22.994 ( -11.285 -26.533 0.000) 28.833 23.037 ( -11.298 -26.457 0.000) 28.768 23.160 ( -10.072 -23.119 0.000) 25.218 23.250 ( -9.960 -22.637 0.000) 24.731 ======================= Grid point 22 (15/50) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 11.092 -0.027 0.000) 11.092 2.251 ( 5.968 -2.409 0.000) 6.436 2.382 ( -12.726 2.381 0.000) 12.947 2.615 ( -22.730 -5.840 0.000) 23.469 2.825 ( 0.307 -7.682 0.000) 7.688 2.903 ( -7.926 -9.198 0.000) 12.142 3.018 ( 2.388 -6.215 0.000) 6.658 3.104 ( -4.080 -3.093 0.000) 5.120 3.350 ( -1.157 -1.968 0.000) 2.282 3.391 ( -4.693 -0.229 0.000) 4.698 3.572 ( 4.045 0.098 0.000) 4.047 3.697 ( -1.906 4.075 0.000) 4.499 3.749 ( 7.715 10.492 0.000) 13.024 3.844 ( -1.594 1.936 0.000) 2.508 4.014 ( -2.330 2.310 0.000) 3.281 4.034 ( -0.659 5.085 0.000) 5.127 4.127 ( -5.230 -0.287 0.000) 5.238 4.143 ( 2.106 1.962 0.000) 2.878 4.177 ( -6.426 3.896 0.000) 7.514 4.200 ( 0.647 6.713 0.000) 6.744 4.296 ( 7.507 6.738 0.000) 10.088 4.343 ( 1.092 7.250 0.000) 7.332 4.404 ( -5.222 8.498 0.000) 9.974 4.453 ( -1.654 7.990 0.000) 8.159 4.535 ( 5.212 3.043 0.000) 6.035 4.566 ( -0.643 9.519 0.000) 9.540 4.596 ( 6.237 6.266 0.000) 8.841 4.695 ( -8.732 1.923 0.000) 8.941 4.734 ( -1.011 2.413 0.000) 2.616 4.815 ( -6.106 -0.807 0.000) 6.159 4.841 ( 4.274 -0.555 0.000) 4.310 4.948 ( 1.267 -0.502 0.000) 1.363 5.020 ( 0.104 3.320 0.000) 3.322 5.021 ( 8.521 0.094 0.000) 8.522 5.096 ( 1.668 6.517 0.000) 6.727 5.259 ( -5.493 0.374 0.000) 5.506 5.326 ( -3.289 1.248 0.000) 3.518 5.375 ( 6.295 11.454 0.000) 13.070 5.430 ( -10.977 -0.432 0.000) 10.986 5.511 ( -8.196 6.431 0.000) 10.418 5.623 ( 1.435 6.013 0.000) 6.182 5.655 ( 1.041 -0.732 0.000) 1.273 5.669 ( -0.578 1.965 0.000) 2.049 5.732 ( -6.706 2.237 0.000) 7.070 5.823 ( -0.277 -2.837 0.000) 2.851 5.826 ( 1.292 1.711 0.000) 2.144 5.881 ( 4.845 4.375 0.000) 6.528 5.980 ( 2.117 9.091 0.000) 9.334 6.035 ( -5.261 7.343 0.000) 9.033 6.084 ( -2.867 4.788 0.000) 5.580 6.088 ( -7.324 1.132 0.000) 7.411 6.094 ( -4.732 4.814 0.000) 6.750 6.165 ( -0.086 2.179 0.000) 2.181 6.204 ( -4.115 4.311 0.000) 5.960 6.424 ( -0.155 11.220 0.000) 11.221 6.431 ( 0.066 9.053 0.000) 9.053 6.533 ( 5.503 8.651 0.000) 10.253 6.679 ( -7.007 6.288 0.000) 9.415 6.758 ( 12.386 4.003 0.000) 13.017 6.882 ( -0.338 4.261 0.000) 4.274 6.982 ( 2.403 4.212 0.000) 4.849 6.995 ( 2.047 7.003 0.000) 7.296 7.126 ( 5.383 6.395 0.000) 8.359 7.128 ( 0.287 0.184 0.000) 0.341 7.170 ( 9.280 1.082 0.000) 9.343 7.225 ( 7.283 8.820 0.000) 11.438 7.314 ( -0.956 3.225 0.000) 3.364 7.325 ( 10.937 6.520 0.000) 12.733 7.327 ( 5.139 4.721 0.000) 6.978 7.391 ( -0.060 6.062 0.000) 6.063 7.451 ( 3.560 6.480 0.000) 7.393 7.465 ( 2.371 9.316 0.000) 9.613 7.491 ( 12.423 6.094 0.000) 13.837 7.568 ( 4.879 8.353 0.000) 9.673 7.641 ( 4.620 7.996 0.000) 9.235 7.643 ( 9.033 8.473 0.000) 12.385 7.725 ( -2.456 7.701 0.000) 8.083 7.758 ( 1.525 8.302 0.000) 8.441 7.801 ( -0.848 6.917 0.000) 6.969 7.856 ( -2.275 10.044 0.000) 10.298 7.858 ( -0.463 11.668 0.000) 11.677 7.896 ( 6.536 1.669 0.000) 6.745 7.976 ( -0.972 4.185 0.000) 4.297 8.034 ( -1.851 -3.503 0.000) 3.962 8.199 ( -11.357 -0.044 0.000) 11.357 8.481 ( -13.176 0.193 0.000) 13.177 8.567 ( 15.771 -3.237 0.000) 16.100 8.576 ( 1.596 1.297 0.000) 2.057 8.736 ( 11.299 -1.832 0.000) 11.446 8.797 ( -6.229 -2.526 0.000) 6.722 8.907 ( 16.632 4.690 0.000) 17.281 8.914 ( 8.094 1.683 0.000) 8.267 9.027 ( 18.854 -5.569 0.000) 19.660 9.058 ( -6.745 -10.826 0.000) 12.755 9.143 ( 4.975 1.906 0.000) 5.328 9.165 ( 1.209 -0.294 0.000) 1.244 9.174 ( -1.258 1.736 0.000) 2.144 9.197 ( 3.060 -5.009 0.000) 5.870 9.416 ( -3.867 0.396 0.000) 3.887 9.446 ( 1.219 -0.704 0.000) 1.408 9.496 ( 0.879 -5.381 0.000) 5.452 9.509 ( -2.650 2.106 0.000) 3.385 9.601 ( 4.881 0.743 0.000) 4.937 9.659 ( 16.670 3.609 0.000) 17.056 9.732 ( -4.891 1.045 0.000) 5.001 9.764 ( 5.452 -3.508 0.000) 6.484 9.777 ( 8.456 5.298 0.000) 9.979 9.858 ( 1.919 1.671 0.000) 2.545 9.936 ( 2.696 0.313 0.000) 2.714 9.965 ( 6.057 3.887 0.000) 7.197 10.094 ( -6.455 -3.078 0.000) 7.151 10.123 ( 3.194 -1.005 0.000) 3.348 10.190 ( 9.573 1.599 0.000) 9.706 10.204 ( -3.739 0.762 0.000) 3.816 10.260 ( 1.190 2.268 0.000) 2.561 10.267 ( -1.136 5.137 0.000) 5.261 10.339 ( 0.948 -2.971 0.000) 3.119 10.401 ( -1.439 1.430 0.000) 2.028 10.435 ( 8.834 -0.732 0.000) 8.865 10.541 ( 15.968 -1.596 0.000) 16.047 10.635 ( -9.446 -7.972 0.000) 12.361 10.669 ( 4.137 -2.351 0.000) 4.758 10.770 ( 7.594 -2.856 0.000) 8.113 10.800 ( 17.293 -0.467 0.000) 17.299 10.970 ( -0.683 3.086 0.000) 3.161 10.978 ( 12.238 5.022 0.000) 13.228 11.071 ( 13.558 3.195 0.000) 13.930 11.090 ( 12.508 0.471 0.000) 12.517 11.128 ( -24.617 -1.659 0.000) 24.673 11.218 ( -6.679 -0.375 0.000) 6.689 11.236 ( -22.116 -3.558 0.000) 22.401 11.277 ( -9.890 -0.337 0.000) 9.896 11.403 ( 12.702 2.238 0.000) 12.898 11.436 ( -12.940 -5.615 0.000) 14.106 11.506 ( -15.523 0.223 0.000) 15.524 11.525 ( -3.772 -3.637 0.000) 5.240 11.574 ( -17.636 0.285 0.000) 17.638 11.609 ( -19.836 -1.614 0.000) 19.902 11.711 ( -2.625 -2.296 0.000) 3.487 11.715 ( -11.502 -2.864 0.000) 11.853 12.032 ( 6.585 1.522 0.000) 6.759 12.074 ( 3.181 1.477 0.000) 3.507 12.332 ( -15.145 1.867 0.000) 15.260 12.361 ( -15.234 -3.309 0.000) 15.589 12.511 ( 11.602 11.506 0.000) 16.340 12.612 ( 11.898 18.251 0.000) 21.787 12.785 ( -11.089 12.531 0.000) 16.733 12.796 ( 7.727 5.946 0.000) 9.750 12.996 ( -0.158 9.628 0.000) 9.629 13.094 ( 16.713 1.987 0.000) 16.831 13.162 ( -7.489 -6.467 0.000) 9.895 13.362 ( -7.337 -6.271 0.000) 9.652 13.587 ( 6.525 -8.633 0.000) 10.821 13.625 ( 4.500 -10.701 0.000) 11.608 13.681 ( -1.624 -10.956 0.000) 11.075 13.738 ( -6.440 -7.972 0.000) 10.249 14.107 ( 9.370 -9.463 0.000) 13.317 14.172 ( 9.966 -6.824 0.000) 12.078 14.250 ( -3.670 -6.139 0.000) 7.152 14.266 ( 1.115 -4.534 0.000) 4.669 14.596 ( 6.769 -2.425 0.000) 7.190 14.617 ( 2.603 -4.699 0.000) 5.372 14.673 ( -1.364 -0.540 0.000) 1.467 14.769 ( -4.126 -10.360 0.000) 11.151 14.779 ( 2.467 -8.497 0.000) 8.848 14.826 ( -5.223 -3.244 0.000) 6.149 14.901 ( 3.962 -6.434 0.000) 7.556 14.906 ( 2.744 -8.656 0.000) 9.081 14.985 ( 5.521 -5.809 0.000) 8.015 15.063 ( -1.054 -3.797 0.000) 3.941 15.106 ( 4.973 -7.603 0.000) 9.085 15.156 ( -0.300 -6.517 0.000) 6.524 15.277 ( 7.385 -4.943 0.000) 8.887 15.358 ( 0.397 -2.110 0.000) 2.147 15.428 ( 4.330 3.018 0.000) 5.278 15.488 ( -0.557 1.081 0.000) 1.216 15.912 ( 10.521 22.411 0.000) 24.758 16.027 ( 9.012 26.341 0.000) 27.840 16.045 ( -0.374 25.153 0.000) 25.156 16.085 ( 10.184 7.441 0.000) 12.613 16.177 ( 13.649 14.608 0.000) 19.992 16.185 ( 1.086 16.758 0.000) 16.793 16.219 ( -3.921 27.139 0.000) 27.421 16.417 ( -7.758 26.338 0.000) 27.457 16.755 ( 10.524 26.343 0.000) 28.368 16.813 ( 7.045 26.976 0.000) 27.881 16.970 ( -14.624 30.024 0.000) 33.397 17.037 ( -13.335 31.984 0.000) 34.652 17.193 ( -0.431 16.586 0.000) 16.592 17.276 ( 1.467 14.521 0.000) 14.594 17.348 ( -12.981 -3.784 0.000) 13.521 17.407 ( -9.610 -6.324 0.000) 11.504 21.506 ( 24.690 -49.052 0.000) 54.915 21.585 ( 24.861 -47.132 0.000) 53.287 21.925 ( -6.412 -35.905 0.000) 36.473 21.957 ( 2.247 -35.589 0.000) 35.659 22.276 ( 8.103 -33.863 0.000) 34.819 22.300 ( 0.184 -37.167 0.000) 37.168 22.400 ( 11.869 -22.693 0.000) 25.609 22.422 ( 13.720 -24.022 0.000) 27.664 22.713 ( -10.602 -29.485 0.000) 31.333 22.747 ( -12.928 -29.160 0.000) 31.898 22.882 ( -15.872 -23.596 0.000) 28.438 22.954 ( -18.129 -23.126 0.000) 29.385 ======================= Grid point 27 (16/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 32.732 0.000) 32.732 2.120 ( 0.000 33.072 0.000) 33.072 2.440 ( 0.000 22.696 0.000) 22.696 2.625 ( 0.000 23.005 0.000) 23.005 2.746 ( 0.000 21.116 0.000) 21.116 2.804 ( 0.000 20.680 0.000) 20.680 3.127 ( 0.000 23.799 0.000) 23.799 3.324 ( 0.000 12.771 0.000) 12.771 3.595 ( 0.000 9.984 0.000) 9.984 3.605 ( 0.000 6.211 0.000) 6.211 3.724 ( 0.000 3.297 0.000) 3.297 3.761 ( 0.000 -4.245 0.000) 4.245 3.800 ( 0.000 -2.748 0.000) 2.748 3.821 ( 0.000 -11.356 0.000) 11.356 3.834 ( 0.000 2.204 0.000) 2.204 3.892 ( 0.000 1.315 0.000) 1.315 3.974 ( 0.000 1.552 0.000) 1.552 4.093 ( 0.000 -13.929 0.000) 13.929 4.160 ( 0.000 18.654 0.000) 18.654 4.239 ( 0.000 3.663 0.000) 3.663 4.344 ( 0.000 -13.449 0.000) 13.449 4.361 ( 0.000 13.518 0.000) 13.518 4.380 ( 0.000 1.747 0.000) 1.747 4.526 ( 0.000 9.331 0.000) 9.331 4.604 ( 0.000 -9.440 0.000) 9.440 4.822 ( 0.000 10.266 0.000) 10.266 4.846 ( 0.000 10.684 0.000) 10.684 4.916 ( 0.000 6.015 0.000) 6.015 4.921 ( 0.000 22.522 0.000) 22.522 4.938 ( 0.000 -0.530 0.000) 0.530 5.017 ( 0.000 6.990 0.000) 6.990 5.095 ( 0.000 3.110 0.000) 3.110 5.183 ( 0.000 12.067 0.000) 12.067 5.184 ( 0.000 0.582 0.000) 0.582 5.334 ( 0.000 0.857 0.000) 0.857 5.410 ( 0.000 -0.034 0.000) 0.034 5.411 ( 0.000 9.078 0.000) 9.078 5.440 ( 0.000 2.275 0.000) 2.275 5.472 ( 0.000 2.744 0.000) 2.744 5.521 ( 0.000 -0.018 0.000) 0.018 5.651 ( 0.000 6.605 0.000) 6.605 5.693 ( 0.000 6.091 0.000) 6.091 5.903 ( 0.000 8.074 0.000) 8.074 5.917 ( 0.000 7.439 0.000) 7.439 5.950 ( 0.000 1.246 0.000) 1.246 5.966 ( 0.000 3.021 0.000) 3.021 5.979 ( 0.000 4.773 0.000) 4.773 6.012 ( 0.000 -0.206 0.000) 0.206 6.115 ( 0.000 5.080 0.000) 5.080 6.121 ( 0.000 4.625 0.000) 4.625 6.264 ( 0.000 -0.227 0.000) 0.227 6.320 ( 0.000 4.846 0.000) 4.846 6.416 ( 0.000 -0.645 0.000) 0.645 6.426 ( 0.000 6.473 0.000) 6.473 6.525 ( 0.000 10.695 0.000) 10.695 6.548 ( 0.000 4.634 0.000) 4.634 6.563 ( 0.000 5.293 0.000) 5.293 6.656 ( 0.000 6.587 0.000) 6.587 6.678 ( 0.000 -3.951 0.000) 3.951 6.785 ( 0.000 2.915 0.000) 2.915 6.793 ( 0.000 4.118 0.000) 4.118 6.876 ( 0.000 7.656 0.000) 7.656 6.952 ( 0.000 -6.096 0.000) 6.096 6.973 ( 0.000 13.285 0.000) 13.285 6.992 ( 0.000 5.005 0.000) 5.005 7.010 ( 0.000 1.079 0.000) 1.079 7.082 ( 0.000 8.606 0.000) 8.606 7.096 ( 0.000 5.569 0.000) 5.569 7.183 ( 0.000 -1.264 0.000) 1.264 7.211 ( 0.000 1.667 0.000) 1.667 7.226 ( 0.000 7.957 0.000) 7.957 7.235 ( 0.000 6.482 0.000) 6.482 7.236 ( 0.000 40.086 0.000) 40.086 7.363 ( 0.000 4.634 0.000) 4.634 7.401 ( 0.000 15.936 0.000) 15.936 7.495 ( 0.000 19.788 0.000) 19.788 7.508 ( 0.000 3.989 0.000) 3.989 7.663 ( 0.000 14.209 0.000) 14.209 7.763 ( 0.000 8.088 0.000) 8.088 7.782 ( 0.000 9.502 0.000) 9.502 7.784 ( 0.000 5.189 0.000) 5.189 7.844 ( 0.000 2.715 0.000) 2.715 7.875 ( 0.000 21.604 0.000) 21.604 7.992 ( 0.000 10.890 0.000) 10.890 8.031 ( 0.000 8.313 0.000) 8.313 8.040 ( 0.000 24.447 0.000) 24.447 8.132 ( 0.000 5.419 0.000) 5.419 8.146 ( 0.000 -6.741 0.000) 6.741 8.234 ( 0.000 3.670 0.000) 3.670 8.334 ( 0.000 5.508 0.000) 5.508 8.402 ( 0.000 13.277 0.000) 13.277 8.438 ( 0.000 25.869 0.000) 25.869 8.442 ( 0.000 11.931 0.000) 11.931 8.545 ( 0.000 9.558 0.000) 9.558 8.639 ( 0.000 24.039 0.000) 24.039 8.657 ( 0.000 18.164 0.000) 18.164 8.745 ( 0.000 8.665 0.000) 8.665 8.868 ( 0.000 8.000 0.000) 8.000 8.939 ( 0.000 8.578 0.000) 8.578 8.968 ( 0.000 15.395 0.000) 15.395 9.008 ( 0.000 10.759 0.000) 10.759 9.139 ( 0.000 18.814 0.000) 18.814 9.176 ( 0.000 -3.327 0.000) 3.327 9.184 ( 0.000 14.944 0.000) 14.944 9.226 ( 0.000 3.190 0.000) 3.190 9.362 ( 0.000 6.229 0.000) 6.229 9.583 ( 0.000 3.557 0.000) 3.557 9.609 ( 0.000 15.936 0.000) 15.936 9.716 ( 0.000 -5.823 0.000) 5.823 9.736 ( 0.000 8.151 0.000) 8.151 9.748 ( 0.000 25.835 0.000) 25.835 9.761 ( 0.000 16.666 0.000) 16.666 9.776 ( 0.000 18.094 0.000) 18.094 10.168 ( 0.000 4.427 0.000) 4.427 10.179 ( 0.000 -1.712 0.000) 1.712 10.305 ( 0.000 0.423 0.000) 0.423 10.332 ( 0.000 13.428 0.000) 13.428 10.356 ( 0.000 13.859 0.000) 13.859 10.509 ( 0.000 2.621 0.000) 2.621 10.608 ( 0.000 0.040 0.000) 0.040 10.705 ( 0.000 3.035 0.000) 3.035 10.715 ( 0.000 -4.544 0.000) 4.544 10.786 ( 0.000 1.603 0.000) 1.603 10.795 ( 0.000 16.994 0.000) 16.994 11.006 ( 0.000 26.973 0.000) 26.973 11.105 ( 0.000 -10.075 0.000) 10.075 11.131 ( 0.000 20.775 0.000) 20.775 11.209 ( 0.000 -3.646 0.000) 3.646 11.285 ( 0.000 -10.784 0.000) 10.784 11.319 ( 0.000 -5.948 0.000) 5.948 11.360 ( 0.000 -18.501 0.000) 18.501 11.495 ( 0.000 -18.942 0.000) 18.942 11.559 ( 0.000 -18.555 0.000) 18.555 11.562 ( 0.000 -20.369 0.000) 20.369 11.702 ( 0.000 -19.620 0.000) 19.620 11.827 ( 0.000 -22.443 0.000) 22.443 12.056 ( 0.000 0.937 0.000) 0.937 12.073 ( 0.000 9.809 0.000) 9.809 12.184 ( 0.000 -22.088 0.000) 22.088 12.216 ( 0.000 -17.272 0.000) 17.272 12.326 ( 0.000 -21.882 0.000) 21.882 12.373 ( 0.000 -24.919 0.000) 24.919 12.408 ( 0.000 -3.463 0.000) 3.463 12.421 ( 0.000 -17.767 0.000) 17.767 12.443 ( 0.000 -15.765 0.000) 15.765 12.593 ( 0.000 -21.811 0.000) 21.811 12.654 ( 0.000 -27.077 0.000) 27.077 12.912 ( 0.000 -19.937 0.000) 19.937 12.976 ( 0.000 -26.305 0.000) 26.305 13.191 ( 0.000 -8.993 0.000) 8.993 13.220 ( 0.000 -6.674 0.000) 6.674 13.243 ( 0.000 -16.941 0.000) 16.941 13.342 ( 0.000 -8.523 0.000) 8.523 13.375 ( 0.000 -3.553 0.000) 3.553 13.425 ( 0.000 -14.502 0.000) 14.502 13.545 ( 0.000 -9.126 0.000) 9.126 13.606 ( 0.000 -1.362 0.000) 1.362 13.630 ( 0.000 -11.692 0.000) 11.692 13.675 ( 0.000 6.826 0.000) 6.826 13.722 ( 0.000 -13.324 0.000) 13.324 13.781 ( 0.000 -11.517 0.000) 11.517 13.931 ( 0.000 -6.207 0.000) 6.207 13.952 ( 0.000 -0.412 0.000) 0.412 13.989 ( 0.000 -1.682 0.000) 1.682 14.060 ( 0.000 -9.273 0.000) 9.273 14.101 ( 0.000 -9.012 0.000) 9.012 14.271 ( 0.000 -13.649 0.000) 13.649 14.307 ( 0.000 6.462 0.000) 6.462 14.350 ( 0.000 -9.828 0.000) 9.828 14.410 ( 0.000 2.955 0.000) 2.955 14.435 ( 0.000 -12.309 0.000) 12.309 14.619 ( 0.000 -10.365 0.000) 10.365 14.809 ( 0.000 -11.608 0.000) 11.608 14.815 ( 0.000 -13.769 0.000) 13.769 15.038 ( 0.000 3.168 0.000) 3.168 15.083 ( 0.000 -12.121 0.000) 12.121 15.173 ( 0.000 -1.954 0.000) 1.954 15.200 ( 0.000 -17.928 0.000) 17.928 15.594 ( 0.000 -1.235 0.000) 1.235 15.901 ( 0.000 -12.632 0.000) 12.632 15.913 ( 0.000 12.014 0.000) 12.014 16.273 ( 0.000 -24.426 0.000) 24.426 16.275 ( 0.000 -9.000 0.000) 9.000 16.404 ( 0.000 14.219 0.000) 14.219 16.431 ( 0.000 15.391 0.000) 15.391 16.542 ( 0.000 14.960 0.000) 14.960 16.688 ( 0.000 19.339 0.000) 19.339 16.799 ( 0.000 2.734 0.000) 2.734 17.003 ( 0.000 1.641 0.000) 1.641 17.286 ( 0.000 -3.679 0.000) 3.679 17.707 ( 0.000 -26.237 0.000) 26.237 18.019 ( 0.000 -34.273 0.000) 34.273 21.211 ( 0.000 15.312 0.000) 15.312 21.358 ( 0.000 8.553 0.000) 8.553 21.432 ( 0.000 3.339 0.000) 3.339 21.585 ( 0.000 -0.803 0.000) 0.803 21.624 ( 0.000 0.212 0.000) 0.212 21.854 ( 0.000 -4.012 0.000) 4.012 22.305 ( 0.000 -20.479 0.000) 20.479 22.346 ( 0.000 -19.250 0.000) 19.250 22.686 ( 0.000 -24.602 0.000) 24.602 22.698 ( 0.000 -24.213 0.000) 24.213 22.820 ( 0.000 -26.845 0.000) 26.845 22.895 ( 0.000 -23.741 0.000) 23.741 ======================= Grid point 28 (17/50) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 5.050 30.065 0.000) 30.486 2.177 ( -2.971 23.636 0.000) 23.822 2.502 ( 17.902 22.203 0.000) 28.521 2.670 ( 15.578 18.304 0.000) 24.036 2.981 ( 17.980 18.955 0.000) 26.126 3.184 ( 15.727 10.622 0.000) 18.978 3.235 ( 2.806 19.773 0.000) 19.971 3.370 ( -0.982 9.287 0.000) 9.339 3.479 ( -0.811 10.741 0.000) 10.771 3.606 ( -18.129 -4.736 0.000) 18.738 3.678 ( 6.021 2.672 0.000) 6.587 3.758 ( 1.544 -6.072 0.000) 6.266 3.798 ( 0.931 -0.685 0.000) 1.156 3.845 ( 5.514 -8.933 0.000) 10.498 3.940 ( 6.156 1.110 0.000) 6.255 3.941 ( 5.063 -3.169 0.000) 5.973 4.105 ( 3.845 -3.930 0.000) 5.498 4.137 ( -6.337 -3.824 0.000) 7.401 4.145 ( 6.635 12.186 0.000) 13.876 4.177 ( 7.407 0.205 0.000) 7.410 4.311 ( -1.233 -2.432 0.000) 2.727 4.346 ( -1.319 12.777 0.000) 12.845 4.380 ( 2.672 2.826 0.000) 3.890 4.487 ( 4.295 11.758 0.000) 12.518 4.648 ( -0.236 -0.403 0.000) 0.467 4.721 ( -10.005 1.575 0.000) 10.128 4.796 ( 0.233 5.900 0.000) 5.904 4.909 ( -0.705 -1.808 0.000) 1.941 4.980 ( 2.952 3.078 0.000) 4.265 4.988 ( 0.648 3.929 0.000) 3.982 5.059 ( -1.798 6.266 0.000) 6.519 5.176 ( -1.454 12.022 0.000) 12.110 5.225 ( 4.447 -1.365 0.000) 4.651 5.268 ( 6.563 1.637 0.000) 6.764 5.298 ( -2.174 5.790 0.000) 6.185 5.413 ( 2.996 0.716 0.000) 3.081 5.415 ( -0.785 3.621 0.000) 3.705 5.525 ( 0.022 -0.970 0.000) 0.970 5.589 ( -3.192 0.650 0.000) 3.258 5.724 ( 9.377 3.115 0.000) 9.881 5.751 ( 4.406 0.998 0.000) 4.517 5.820 ( 17.133 16.011 0.000) 23.450 5.857 ( -11.856 -2.268 0.000) 12.071 5.895 ( -2.230 10.704 0.000) 10.934 5.984 ( 1.939 6.022 0.000) 6.327 6.042 ( 7.880 13.354 0.000) 15.506 6.059 ( -5.486 0.476 0.000) 5.507 6.088 ( 9.688 4.858 0.000) 10.837 6.114 ( 2.648 8.919 0.000) 9.303 6.198 ( 11.490 6.137 0.000) 13.026 6.220 ( 10.032 7.141 0.000) 12.314 6.247 ( -12.557 3.484 0.000) 13.031 6.269 ( -13.913 4.977 0.000) 14.776 6.398 ( 7.189 4.676 0.000) 8.576 6.430 ( -2.348 3.687 0.000) 4.372 6.470 ( -1.050 6.596 0.000) 6.679 6.596 ( -0.894 9.160 0.000) 9.204 6.660 ( -9.616 3.024 0.000) 10.081 6.686 ( 8.604 6.428 0.000) 10.740 6.739 ( -2.848 1.233 0.000) 3.104 6.821 ( -0.194 9.744 0.000) 9.746 6.844 ( -5.128 1.837 0.000) 5.447 6.861 ( -0.397 2.301 0.000) 2.335 6.942 ( -5.799 -1.207 0.000) 5.924 7.035 ( 6.199 1.636 0.000) 6.411 7.050 ( 2.763 4.907 0.000) 5.632 7.089 ( 9.470 2.357 0.000) 9.759 7.113 ( 4.502 7.257 0.000) 8.541 7.189 ( 7.461 14.716 0.000) 16.499 7.205 ( 2.775 1.737 0.000) 3.274 7.277 ( -0.323 9.719 0.000) 9.724 7.280 ( 5.497 4.988 0.000) 7.423 7.331 ( 2.616 7.875 0.000) 8.298 7.448 ( 5.666 -1.239 0.000) 5.800 7.467 ( 5.188 19.947 0.000) 20.610 7.571 ( -5.653 13.621 0.000) 14.748 7.602 ( 11.059 2.094 0.000) 11.256 7.712 ( -2.176 21.329 0.000) 21.440 7.751 ( 1.053 3.170 0.000) 3.341 7.807 ( 6.917 12.713 0.000) 14.473 7.910 ( 8.096 3.998 0.000) 9.030 7.962 ( 1.413 9.876 0.000) 9.977 7.962 ( 6.800 12.435 0.000) 14.173 8.003 ( 8.026 9.853 0.000) 12.708 8.030 ( 1.992 1.302 0.000) 2.379 8.102 ( 4.857 7.748 0.000) 9.145 8.174 ( 8.275 12.144 0.000) 14.695 8.202 ( 10.991 0.872 0.000) 11.026 8.351 ( 8.339 14.158 0.000) 16.432 8.387 ( 6.555 14.721 0.000) 16.115 8.415 ( 4.890 12.284 0.000) 13.221 8.516 ( 4.437 19.370 0.000) 19.872 8.558 ( 4.887 10.044 0.000) 11.170 8.629 ( 3.378 7.272 0.000) 8.019 8.645 ( 8.516 15.392 0.000) 17.591 8.704 ( 6.056 17.396 0.000) 18.420 8.914 ( 4.361 7.744 0.000) 8.887 8.957 ( 9.124 5.230 0.000) 10.516 8.965 ( 1.563 6.085 0.000) 6.282 9.014 ( 3.656 4.918 0.000) 6.128 9.067 ( 3.531 15.131 0.000) 15.538 9.104 ( 2.617 5.694 0.000) 6.266 9.196 ( 11.801 15.653 0.000) 19.603 9.297 ( -0.610 8.516 0.000) 8.537 9.319 ( 13.330 4.983 0.000) 14.231 9.462 ( 11.662 11.366 0.000) 16.285 9.642 ( -0.058 5.206 0.000) 5.207 9.643 ( -1.283 17.756 0.000) 17.802 9.717 ( 5.323 10.897 0.000) 12.127 9.731 ( 3.685 0.122 0.000) 3.687 9.784 ( 5.274 13.640 0.000) 14.624 9.847 ( 6.516 14.109 0.000) 15.541 9.857 ( 6.912 9.822 0.000) 12.010 10.162 ( -0.601 -2.144 0.000) 2.227 10.171 ( -2.058 7.509 0.000) 7.786 10.235 ( -2.878 -2.767 0.000) 3.992 10.289 ( -3.879 11.021 0.000) 11.684 10.365 ( 0.252 13.984 0.000) 13.986 10.461 ( -1.851 0.097 0.000) 1.853 10.520 ( -4.177 -2.071 0.000) 4.662 10.718 ( -1.347 19.769 0.000) 19.815 10.770 ( -3.317 14.291 0.000) 14.671 10.785 ( 2.126 -5.944 0.000) 6.312 10.806 ( 6.357 2.172 0.000) 6.718 10.979 ( -2.132 10.650 0.000) 10.861 11.144 ( 1.542 0.891 0.000) 1.781 11.158 ( -8.441 -6.247 0.000) 10.501 11.215 ( 1.516 6.918 0.000) 7.082 11.235 ( -6.094 -9.669 0.000) 11.429 11.291 ( -3.731 -14.685 0.000) 15.152 11.319 ( -0.447 -2.429 0.000) 2.470 11.461 ( 3.609 -8.134 0.000) 8.899 11.491 ( -7.666 -18.375 0.000) 19.910 11.562 ( -0.070 -15.966 0.000) 15.966 11.668 ( 0.046 -14.795 0.000) 14.795 11.787 ( -2.937 -18.446 0.000) 18.679 12.032 ( -1.455 -0.016 0.000) 1.455 12.037 ( -3.216 5.789 0.000) 6.622 12.078 ( -5.424 -19.842 0.000) 20.570 12.197 ( -2.287 -13.477 0.000) 13.670 12.253 ( -4.775 -12.041 0.000) 12.953 12.283 ( -5.462 -22.086 0.000) 22.751 12.376 ( -6.083 -17.967 0.000) 18.969 12.460 ( -1.040 -22.197 0.000) 22.222 12.495 ( 2.227 -9.015 0.000) 9.286 12.598 ( 0.098 -18.484 0.000) 18.485 12.688 ( 4.835 -19.570 0.000) 20.159 12.928 ( -3.061 -21.636 0.000) 21.852 12.983 ( 4.324 -20.454 0.000) 20.906 13.165 ( -2.901 -8.819 0.000) 9.284 13.217 ( -0.766 -12.642 0.000) 12.665 13.236 ( -0.688 -7.535 0.000) 7.566 13.312 ( -3.263 -6.705 0.000) 7.456 13.371 ( 1.721 -9.178 0.000) 9.338 13.383 ( -3.150 -6.430 0.000) 7.160 13.539 ( -4.128 -2.272 0.000) 4.712 13.602 ( 5.166 -8.333 0.000) 9.805 13.618 ( 3.629 -6.416 0.000) 7.371 13.690 ( 1.274 6.379 0.000) 6.505 13.801 ( 3.818 -5.048 0.000) 6.329 13.876 ( 10.398 -11.261 0.000) 15.327 14.017 ( 6.004 -3.326 0.000) 6.863 14.072 ( 9.105 -4.629 0.000) 10.214 14.128 ( 10.535 -4.988 0.000) 11.656 14.164 ( 11.552 -8.462 0.000) 14.320 14.215 ( 11.193 -9.943 0.000) 14.971 14.315 ( 6.512 -5.649 0.000) 8.621 14.387 ( 6.216 0.677 0.000) 6.253 14.402 ( 8.438 -2.846 0.000) 8.905 14.456 ( 2.332 -11.738 0.000) 11.968 14.564 ( 9.265 -3.267 0.000) 9.824 14.811 ( 15.568 -9.751 0.000) 18.369 14.845 ( 2.920 -12.470 0.000) 12.807 14.976 ( 9.982 -12.514 0.000) 16.007 15.068 ( 3.230 3.987 0.000) 5.131 15.109 ( 5.047 -12.437 0.000) 13.422 15.170 ( 0.496 -0.551 0.000) 0.741 15.217 ( 2.481 -14.759 0.000) 14.966 15.673 ( 7.443 1.751 0.000) 7.646 15.940 ( 4.665 9.445 0.000) 10.534 16.146 ( 18.825 -14.214 0.000) 23.589 16.315 ( 3.009 -13.772 0.000) 14.097 16.373 ( 4.586 7.358 0.000) 8.671 16.450 ( 5.483 13.974 0.000) 15.012 16.532 ( 13.025 1.464 0.000) 13.107 16.639 ( 9.525 5.741 0.000) 11.122 16.712 ( 4.671 13.100 0.000) 13.908 16.822 ( 2.236 3.018 0.000) 3.756 17.079 ( 8.270 -1.091 0.000) 8.342 17.359 ( 7.160 -2.523 0.000) 7.591 17.699 ( -0.548 -21.884 0.000) 21.891 17.939 ( -7.223 -30.348 0.000) 31.196 21.051 ( -19.211 9.977 0.000) 21.647 21.236 ( -10.442 8.578 0.000) 13.513 21.264 ( -30.173 3.715 0.000) 30.401 21.346 ( -5.846 4.493 0.000) 7.373 21.449 ( -6.646 2.658 0.000) 7.158 21.774 ( -4.688 -0.540 0.000) 4.719 22.302 ( -2.577 -24.783 0.000) 24.916 22.365 ( -1.795 -24.724 0.000) 24.790 22.688 ( -1.541 -26.039 0.000) 26.085 22.692 ( -0.421 -26.656 0.000) 26.660 22.816 ( -0.741 -27.431 0.000) 27.441 22.900 ( -0.015 -24.962 0.000) 24.962 ======================= Grid point 29 (18/50) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -4.521 17.113 0.000) 17.700 2.356 ( 16.158 19.558 0.000) 25.369 2.688 ( -12.874 4.529 0.000) 13.648 2.993 ( 14.039 14.622 0.000) 20.271 3.045 ( -8.579 11.887 0.000) 14.659 3.213 ( -13.563 -7.970 0.000) 15.732 3.214 ( -3.489 8.683 0.000) 9.358 3.298 ( -1.531 0.681 0.000) 1.675 3.447 ( 1.063 -0.451 0.000) 1.155 3.549 ( -13.843 -1.703 0.000) 13.948 3.694 ( 7.371 2.958 0.000) 7.943 3.823 ( -7.182 -2.353 0.000) 7.558 3.871 ( 9.741 8.351 0.000) 12.831 3.954 ( 8.173 -5.948 0.000) 10.109 3.986 ( 7.295 2.336 0.000) 7.660 4.006 ( 3.283 -0.085 0.000) 3.284 4.131 ( -1.578 5.408 0.000) 5.634 4.176 ( 6.928 -3.721 0.000) 7.864 4.214 ( 6.407 5.133 0.000) 8.209 4.281 ( -6.413 2.016 0.000) 6.722 4.392 ( 4.882 -0.251 0.000) 4.889 4.408 ( -2.920 3.854 0.000) 4.835 4.421 ( 7.882 -2.969 0.000) 8.423 4.570 ( 10.252 6.765 0.000) 12.283 4.654 ( -12.566 2.150 0.000) 12.749 4.717 ( -0.679 3.653 0.000) 3.715 4.778 ( -6.676 -0.974 0.000) 6.747 4.846 ( -3.011 6.261 0.000) 6.947 4.886 ( 6.917 1.899 0.000) 7.173 4.940 ( -3.279 7.841 0.000) 8.499 5.003 ( -0.570 -0.609 0.000) 0.834 5.158 ( -12.085 6.823 0.000) 13.878 5.225 ( -8.995 2.180 0.000) 9.256 5.269 ( 2.700 2.747 0.000) 3.852 5.309 ( -8.285 4.453 0.000) 9.405 5.337 ( 0.856 0.444 0.000) 0.964 5.398 ( -15.387 2.851 0.000) 15.649 5.482 ( 5.272 0.124 0.000) 5.274 5.500 ( -0.715 4.922 0.000) 4.974 5.667 ( -0.861 -1.003 0.000) 1.322 5.684 ( -3.404 9.373 0.000) 9.972 5.719 ( -3.493 -3.606 0.000) 5.020 5.829 ( 0.309 5.124 0.000) 5.133 5.876 ( -4.002 1.994 0.000) 4.471 5.924 ( -3.979 7.958 0.000) 8.897 5.991 ( -4.107 13.917 0.000) 14.510 6.061 ( -6.514 3.689 0.000) 7.486 6.089 ( -2.286 1.220 0.000) 2.591 6.138 ( 6.674 9.751 0.000) 11.816 6.260 ( -0.512 3.189 0.000) 3.230 6.308 ( 1.252 6.238 0.000) 6.362 6.351 ( -0.618 5.379 0.000) 5.414 6.379 ( -2.571 5.207 0.000) 5.807 6.401 ( 3.522 12.819 0.000) 13.294 6.449 ( -1.356 4.637 0.000) 4.831 6.591 ( 13.604 5.745 0.000) 14.767 6.595 ( 2.539 5.282 0.000) 5.860 6.617 ( 5.513 2.680 0.000) 6.130 6.772 ( 12.256 14.149 0.000) 18.719 6.781 ( 1.491 6.130 0.000) 6.308 6.809 ( -6.463 -0.873 0.000) 6.521 6.912 ( 1.984 6.156 0.000) 6.468 6.947 ( 5.132 -5.178 0.000) 7.290 6.955 ( 3.883 -6.461 0.000) 7.538 7.044 ( 3.959 4.299 0.000) 5.844 7.166 ( -0.387 6.452 0.000) 6.464 7.182 ( 5.571 14.510 0.000) 15.543 7.185 ( 1.141 -2.160 0.000) 2.443 7.255 ( 0.452 13.336 0.000) 13.344 7.309 ( 15.316 12.580 0.000) 19.820 7.402 ( 11.186 1.985 0.000) 11.360 7.404 ( 2.023 6.899 0.000) 7.190 7.471 ( 10.397 11.972 0.000) 15.856 7.485 ( -0.468 10.828 0.000) 10.838 7.628 ( 2.076 12.387 0.000) 12.559 7.648 ( 7.111 10.091 0.000) 12.345 7.747 ( 2.849 -0.876 0.000) 2.981 7.758 ( 7.792 17.516 0.000) 19.171 7.789 ( 2.960 -4.103 0.000) 5.059 7.876 ( 8.210 6.661 0.000) 10.572 7.922 ( -1.783 4.891 0.000) 5.206 8.010 ( 0.061 10.677 0.000) 10.677 8.059 ( 12.002 2.269 0.000) 12.215 8.064 ( 4.546 6.096 0.000) 7.604 8.220 ( 6.387 0.331 0.000) 6.395 8.311 ( 4.448 2.342 0.000) 5.027 8.428 ( 7.542 9.259 0.000) 11.942 8.506 ( 3.351 4.137 0.000) 5.324 8.518 ( 10.313 4.994 0.000) 11.459 8.523 ( 4.337 5.858 0.000) 7.289 8.580 ( 4.871 10.083 0.000) 11.198 8.602 ( 12.043 4.209 0.000) 12.757 8.669 ( 9.232 12.165 0.000) 15.272 8.708 ( 8.422 0.732 0.000) 8.453 8.773 ( 6.026 7.219 0.000) 9.404 8.930 ( 11.967 0.025 0.000) 11.967 9.018 ( 8.866 9.450 0.000) 12.958 9.067 ( 5.090 6.446 0.000) 8.213 9.085 ( 7.575 9.270 0.000) 11.971 9.099 ( 9.424 7.385 0.000) 11.973 9.260 ( 3.582 2.221 0.000) 4.215 9.305 ( 13.281 10.974 0.000) 17.228 9.345 ( 2.525 3.285 0.000) 4.143 9.383 ( 10.944 2.871 0.000) 11.314 9.593 ( 1.780 4.097 0.000) 4.467 9.643 ( 4.520 9.547 0.000) 10.563 9.692 ( 5.546 14.914 0.000) 15.912 9.742 ( 10.734 5.287 0.000) 11.966 9.795 ( 3.169 0.505 0.000) 3.209 9.799 ( 7.199 14.635 0.000) 16.310 9.881 ( 8.472 10.533 0.000) 13.517 10.026 ( 5.908 7.757 0.000) 9.751 10.115 ( 0.351 3.581 0.000) 3.598 10.132 ( 2.147 8.271 0.000) 8.545 10.184 ( 1.228 3.522 0.000) 3.730 10.189 ( 10.402 8.314 0.000) 13.317 10.310 ( 11.983 -4.775 0.000) 12.899 10.401 ( 1.322 7.307 0.000) 7.426 10.502 ( 5.428 2.190 0.000) 5.853 10.515 ( 2.509 -0.775 0.000) 2.626 10.671 ( -1.386 19.025 0.000) 19.075 10.681 ( -3.314 15.324 0.000) 15.678 10.842 ( -0.813 2.854 0.000) 2.968 10.883 ( -10.164 2.884 0.000) 10.566 10.897 ( -10.690 6.925 0.000) 12.737 10.920 ( -2.293 -1.163 0.000) 2.571 11.001 ( 3.634 5.487 0.000) 6.581 11.108 ( -7.063 -4.103 0.000) 8.169 11.167 ( -2.500 -6.277 0.000) 6.756 11.198 ( -4.212 -10.089 0.000) 10.933 11.320 ( -7.150 -15.580 0.000) 17.142 11.350 ( -5.303 -7.628 0.000) 9.290 11.634 ( 7.140 -4.039 0.000) 8.203 11.636 ( -9.216 -11.563 0.000) 14.787 11.654 ( 8.556 -0.377 0.000) 8.564 11.670 ( -4.779 -13.115 0.000) 13.959 11.923 ( -6.423 -17.035 0.000) 18.205 12.010 ( -7.720 -10.315 0.000) 12.884 12.044 ( 3.695 0.503 0.000) 3.729 12.125 ( -10.043 -16.889 0.000) 19.649 12.147 ( -5.744 -7.468 0.000) 9.422 12.202 ( 5.736 -2.228 0.000) 6.153 12.240 ( -1.351 -3.085 0.000) 3.368 12.301 ( -12.544 -20.735 0.000) 24.235 12.502 ( 0.732 -8.240 0.000) 8.272 12.596 ( -1.209 -13.486 0.000) 13.540 12.818 ( 4.412 -4.995 0.000) 6.665 12.857 ( -7.392 -9.471 0.000) 12.014 13.070 ( 5.704 -18.002 0.000) 18.884 13.107 ( -0.728 -7.772 0.000) 7.806 13.183 ( -2.034 -6.955 0.000) 7.246 13.225 ( 0.809 -10.066 0.000) 10.099 13.282 ( -1.291 -0.963 0.000) 1.610 13.360 ( 3.877 -8.556 0.000) 9.394 13.418 ( 4.263 -4.104 0.000) 5.917 13.500 ( 0.994 -5.259 0.000) 5.352 13.666 ( -0.317 9.798 0.000) 9.803 13.698 ( 2.582 -2.298 0.000) 3.457 13.828 ( 12.189 -4.618 0.000) 13.034 13.965 ( 10.488 -4.233 0.000) 11.310 14.162 ( 15.848 -9.120 0.000) 18.285 14.222 ( 13.221 -5.774 0.000) 14.427 14.263 ( 9.321 -4.697 0.000) 10.437 14.329 ( 9.455 -3.261 0.000) 10.001 14.398 ( 9.376 -9.259 0.000) 13.177 14.498 ( 13.273 -9.471 0.000) 16.305 14.518 ( 6.616 -8.685 0.000) 10.918 14.557 ( 11.694 0.317 0.000) 11.698 14.610 ( 15.859 -5.490 0.000) 16.783 14.655 ( 12.200 0.476 0.000) 12.210 14.706 ( 5.151 -5.986 0.000) 7.898 14.922 ( 3.846 -9.718 0.000) 10.451 14.985 ( -3.250 -11.258 0.000) 11.718 15.153 ( 13.730 -5.247 0.000) 14.698 15.178 ( 6.375 6.795 0.000) 9.317 15.243 ( 8.421 3.838 0.000) 9.255 15.340 ( 10.634 -11.746 0.000) 15.845 15.378 ( 14.965 -8.785 0.000) 17.353 15.897 ( 14.148 9.539 0.000) 17.063 16.053 ( 5.851 12.036 0.000) 13.383 16.360 ( 2.534 2.690 0.000) 3.695 16.450 ( 4.920 4.904 0.000) 6.947 16.459 ( 6.337 18.759 0.000) 19.801 16.636 ( 12.167 17.569 0.000) 21.371 16.870 ( 14.440 6.038 0.000) 15.652 16.893 ( 5.130 7.908 0.000) 9.426 16.975 ( 18.512 -12.105 0.000) 22.118 16.993 ( 23.001 -15.912 0.000) 27.968 17.415 ( 23.973 -7.803 0.000) 25.211 17.574 ( 12.689 3.258 0.000) 13.101 17.703 ( 1.484 -7.063 0.000) 7.218 17.772 ( -6.102 -16.763 0.000) 17.839 20.531 ( -25.244 0.382 0.000) 25.247 20.585 ( -30.511 3.113 0.000) 30.669 21.043 ( -6.003 2.545 0.000) 6.520 21.192 ( -6.303 -2.213 0.000) 6.681 21.460 ( 5.916 1.221 0.000) 6.041 21.709 ( -0.840 -2.331 0.000) 2.477 22.143 ( -12.943 -32.310 0.000) 34.805 22.214 ( -12.729 -32.333 0.000) 34.748 22.602 ( -7.449 -30.044 0.000) 30.954 22.626 ( -6.601 -30.734 0.000) 31.435 22.770 ( -4.209 -28.430 0.000) 28.740 22.868 ( -3.775 -27.087 0.000) 27.349 ======================= Grid point 30 (19/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.865 6.537 0.000) 7.594 2.332 ( -14.521 -1.867 0.000) 14.640 2.616 ( 4.623 7.452 0.000) 8.770 2.867 ( -6.861 4.170 0.000) 8.029 2.922 ( -20.561 -1.159 0.000) 20.594 2.964 ( -9.896 -4.618 0.000) 10.921 3.054 ( -16.024 -4.161 0.000) 16.555 3.171 ( 0.114 5.808 0.000) 5.809 3.397 ( -7.701 -3.696 0.000) 8.542 3.433 ( -2.219 -5.262 0.000) 5.711 3.564 ( -10.042 -3.320 0.000) 10.576 3.711 ( 3.912 5.712 0.000) 6.923 3.937 ( -10.405 -3.983 0.000) 11.142 3.986 ( -0.329 14.799 0.000) 14.803 4.052 ( 0.155 0.371 0.000) 0.402 4.161 ( 4.430 1.467 0.000) 4.666 4.211 ( 7.533 -2.172 0.000) 7.839 4.212 ( -4.813 1.647 0.000) 5.087 4.278 ( -13.017 -0.254 0.000) 13.020 4.327 ( -3.355 4.303 0.000) 5.456 4.347 ( 4.240 -3.008 0.000) 5.198 4.393 ( -1.337 3.593 0.000) 3.833 4.480 ( 6.770 1.835 0.000) 7.014 4.493 ( 7.611 4.252 0.000) 8.718 4.573 ( -2.736 6.520 0.000) 7.071 4.598 ( -4.144 4.507 0.000) 6.123 4.761 ( -2.727 4.520 0.000) 5.279 4.823 ( -12.925 -1.681 0.000) 13.034 4.886 ( 6.439 6.259 0.000) 8.980 4.915 ( -4.450 2.460 0.000) 5.084 4.976 ( -10.152 0.450 0.000) 10.162 4.991 ( -4.972 3.608 0.000) 6.143 5.008 ( -5.046 4.175 0.000) 6.550 5.025 ( -1.091 -1.811 0.000) 2.114 5.171 ( -5.297 1.836 0.000) 5.607 5.318 ( 1.264 -4.330 0.000) 4.511 5.334 ( -0.786 -2.872 0.000) 2.977 5.545 ( -1.823 4.191 0.000) 4.570 5.574 ( -1.569 1.859 0.000) 2.433 5.606 ( 3.292 4.988 0.000) 5.977 5.655 ( -3.606 -0.129 0.000) 3.608 5.725 ( 0.766 -2.403 0.000) 2.522 5.739 ( -3.796 1.872 0.000) 4.233 5.814 ( -8.604 2.605 0.000) 8.990 5.916 ( 4.051 1.411 0.000) 4.290 5.952 ( -6.490 8.718 0.000) 10.868 5.985 ( -1.730 3.418 0.000) 3.831 6.073 ( 5.519 1.739 0.000) 5.786 6.203 ( -4.316 7.057 0.000) 8.272 6.220 ( -0.536 1.489 0.000) 1.582 6.310 ( -0.578 8.309 0.000) 8.329 6.329 ( -1.351 11.774 0.000) 11.852 6.440 ( 11.388 6.488 0.000) 13.107 6.454 ( -0.002 17.381 0.000) 17.381 6.480 ( 0.450 10.968 0.000) 10.977 6.597 ( -4.685 2.831 0.000) 5.474 6.687 ( -1.480 7.153 0.000) 7.305 6.699 ( 4.500 1.226 0.000) 4.664 6.728 ( 5.268 5.210 0.000) 7.409 6.881 ( 3.575 -1.275 0.000) 3.796 6.902 ( -3.784 -1.058 0.000) 3.929 6.924 ( 7.539 6.157 0.000) 9.734 7.043 ( 11.298 8.837 0.000) 14.344 7.114 ( 10.168 4.839 0.000) 11.261 7.173 ( 7.678 -0.322 0.000) 7.685 7.206 ( 4.167 4.624 0.000) 6.225 7.222 ( -0.306 -0.373 0.000) 0.482 7.306 ( 2.566 12.393 0.000) 12.656 7.351 ( 2.059 2.725 0.000) 3.416 7.477 ( 9.426 3.386 0.000) 10.016 7.483 ( 4.445 6.488 0.000) 7.864 7.523 ( 2.961 8.734 0.000) 9.222 7.561 ( 7.525 12.532 0.000) 14.617 7.618 ( 7.316 9.575 0.000) 12.050 7.666 ( -0.779 14.662 0.000) 14.683 7.804 ( 4.317 13.742 0.000) 14.404 7.807 ( -1.562 -5.902 0.000) 6.105 7.867 ( 5.124 2.920 0.000) 5.898 7.920 ( 6.000 3.803 0.000) 7.104 7.937 ( 3.305 6.524 0.000) 7.313 8.033 ( 4.951 10.053 0.000) 11.206 8.058 ( 2.023 14.341 0.000) 14.483 8.168 ( 7.226 3.296 0.000) 7.943 8.221 ( -4.535 7.800 0.000) 9.023 8.252 ( -0.158 9.713 0.000) 9.715 8.382 ( 10.929 1.998 0.000) 11.111 8.428 ( -1.798 1.954 0.000) 2.656 8.541 ( 0.619 2.066 0.000) 2.157 8.576 ( 6.754 -5.819 0.000) 8.915 8.619 ( 7.331 2.823 0.000) 7.856 8.790 ( 5.464 -3.999 0.000) 6.771 8.806 ( 7.510 2.866 0.000) 8.039 8.824 ( 0.467 -10.689 0.000) 10.699 8.894 ( 9.655 1.271 0.000) 9.738 8.951 ( 7.381 1.052 0.000) 7.456 9.013 ( -3.915 -6.246 0.000) 7.372 9.167 ( 1.861 -1.933 0.000) 2.683 9.190 ( -1.274 -11.453 0.000) 11.524 9.240 ( 7.622 -0.978 0.000) 7.684 9.255 ( 5.558 -4.636 0.000) 7.238 9.381 ( 12.836 5.930 0.000) 14.139 9.475 ( 22.032 7.731 0.000) 23.349 9.537 ( 5.008 9.544 0.000) 10.779 9.609 ( 5.866 3.001 0.000) 6.589 9.655 ( 5.277 7.568 0.000) 9.226 9.689 ( 0.761 7.909 0.000) 7.945 9.788 ( -0.429 1.224 0.000) 1.297 9.844 ( 4.553 2.141 0.000) 5.031 9.898 ( 3.646 15.043 0.000) 15.479 9.945 ( 3.797 5.966 0.000) 7.072 10.052 ( 3.510 0.925 0.000) 3.630 10.077 ( 10.627 4.117 0.000) 11.396 10.124 ( 3.650 9.640 0.000) 10.308 10.168 ( 5.187 7.390 0.000) 9.028 10.254 ( -4.878 3.092 0.000) 5.775 10.335 ( -2.459 1.682 0.000) 2.979 10.385 ( -3.053 -6.316 0.000) 7.015 10.505 ( 4.084 -1.828 0.000) 4.474 10.517 ( -2.900 2.220 0.000) 3.652 10.598 ( -4.297 2.123 0.000) 4.793 10.666 ( 1.563 5.166 0.000) 5.397 10.674 ( 1.356 4.014 0.000) 4.237 10.741 ( -3.039 11.319 0.000) 11.720 10.751 ( -9.391 0.830 0.000) 9.428 10.846 ( 10.746 14.469 0.000) 18.023 10.903 ( 3.394 2.496 0.000) 4.213 11.045 ( 3.670 5.586 0.000) 6.684 11.048 ( 0.956 6.464 0.000) 6.534 11.200 ( 8.359 2.259 0.000) 8.659 11.212 ( 8.769 -1.864 0.000) 8.965 11.316 ( 4.916 -6.910 0.000) 8.480 11.331 ( -0.487 -3.743 0.000) 3.775 11.371 ( -13.921 -10.875 0.000) 17.665 11.501 ( -16.778 -14.399 0.000) 22.110 11.522 ( -9.154 -6.678 0.000) 11.331 11.625 ( -5.860 -7.734 0.000) 9.704 11.750 ( -10.774 -8.129 0.000) 13.497 11.829 ( -18.027 -11.719 0.000) 21.501 11.850 ( -8.697 -5.285 0.000) 10.177 11.956 ( -13.262 -14.312 0.000) 19.512 12.083 ( -2.133 -3.882 0.000) 4.430 12.121 ( -6.728 -4.264 0.000) 7.966 12.388 ( 6.214 0.521 0.000) 6.236 12.415 ( 12.988 4.842 0.000) 13.861 12.517 ( -7.394 -9.277 0.000) 11.863 12.549 ( 8.153 -2.053 0.000) 8.407 12.767 ( 4.901 12.458 0.000) 13.387 12.890 ( 6.029 2.279 0.000) 6.446 13.078 ( -1.498 -5.086 0.000) 5.302 13.157 ( -3.836 -0.201 0.000) 3.841 13.219 ( 6.730 -11.889 0.000) 13.662 13.236 ( -0.634 -3.346 0.000) 3.405 13.296 ( 7.108 -4.580 0.000) 8.456 13.475 ( 1.070 -8.789 0.000) 8.854 13.485 ( -1.120 9.843 0.000) 9.907 13.632 ( 8.521 -9.358 0.000) 12.656 13.728 ( 8.596 -1.663 0.000) 8.756 13.745 ( 6.908 -2.801 0.000) 7.454 14.078 ( 10.298 -2.140 0.000) 10.518 14.135 ( 4.547 -5.142 0.000) 6.864 14.413 ( 7.909 -4.862 0.000) 9.283 14.428 ( 6.065 -4.600 0.000) 7.612 14.472 ( 7.911 -10.869 0.000) 13.443 14.525 ( 8.117 -3.547 0.000) 8.858 14.592 ( 9.648 -9.419 0.000) 13.484 14.684 ( 4.202 -7.836 0.000) 8.892 14.707 ( 10.576 -10.646 0.000) 15.006 14.735 ( 0.168 2.299 0.000) 2.306 14.753 ( 8.223 -2.838 0.000) 8.699 14.869 ( 6.136 -9.323 0.000) 11.161 14.872 ( -4.801 -11.042 0.000) 12.040 14.992 ( 15.869 3.878 0.000) 16.335 14.999 ( 2.934 -6.316 0.000) 6.964 15.333 ( 7.795 9.333 0.000) 12.160 15.368 ( 7.822 1.756 0.000) 8.017 15.468 ( 9.839 8.140 0.000) 12.769 15.646 ( 17.006 -11.307 0.000) 20.422 15.695 ( 16.980 -5.815 0.000) 17.948 16.198 ( 8.781 12.682 0.000) 15.425 16.244 ( 18.838 21.584 0.000) 28.648 16.410 ( 1.522 6.242 0.000) 6.425 16.498 ( 2.393 14.095 0.000) 14.297 16.677 ( 13.909 24.282 0.000) 27.983 16.943 ( 16.407 22.667 0.000) 27.982 16.986 ( 2.542 13.441 0.000) 13.680 17.105 ( 10.237 18.092 0.000) 20.787 17.234 ( 6.418 -8.148 0.000) 10.372 17.274 ( 2.496 -8.540 0.000) 8.897 17.762 ( 5.507 16.195 0.000) 17.106 17.765 ( 2.882 15.237 0.000) 15.507 17.850 ( 8.590 12.705 0.000) 15.336 17.864 ( 9.221 14.398 0.000) 17.097 20.191 ( -3.049 -22.359 0.000) 22.566 20.229 ( 1.021 -27.264 0.000) 27.284 21.065 ( 8.624 -14.444 0.000) 16.823 21.177 ( 5.523 -16.466 0.000) 17.368 21.638 ( 6.039 -15.007 0.000) 16.177 21.750 ( 0.932 -15.193 0.000) 15.222 21.799 ( -14.570 -33.758 0.000) 36.768 21.867 ( -16.210 -34.126 0.000) 37.780 22.368 ( -15.052 -33.731 0.000) 36.937 22.408 ( -14.369 -34.008 0.000) 36.919 22.624 ( -10.045 -28.306 0.000) 30.036 22.723 ( -10.494 -27.995 0.000) 29.898 ======================= Grid point 31 (20/50) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 11.412 0.039 0.000) 11.412 2.216 ( 4.034 -0.436 0.000) 4.058 2.450 ( -15.953 2.826 0.000) 16.201 2.504 ( -18.908 -4.478 0.000) 19.431 2.730 ( -4.286 -0.460 0.000) 4.311 2.771 ( -8.955 -1.810 0.000) 9.136 2.923 ( 4.352 -1.924 0.000) 4.758 3.062 ( -7.609 -0.776 0.000) 7.649 3.306 ( -0.929 -2.466 0.000) 2.635 3.357 ( -5.634 -3.127 0.000) 6.444 3.481 ( 5.688 -8.563 0.000) 10.280 3.678 ( -10.064 -7.898 0.000) 12.793 3.847 ( 1.543 -0.426 0.000) 1.601 3.912 ( -5.802 3.863 0.000) 6.971 4.037 ( 3.029 2.185 0.000) 3.735 4.113 ( -2.192 -1.084 0.000) 2.446 4.115 ( -2.647 4.430 0.000) 5.160 4.155 ( -0.831 3.560 0.000) 3.656 4.254 ( -4.390 -0.589 0.000) 4.430 4.304 ( -5.493 4.427 0.000) 7.055 4.347 ( 4.633 -1.065 0.000) 4.754 4.420 ( -0.379 -5.139 0.000) 5.153 4.541 ( 0.270 4.641 0.000) 4.649 4.554 ( -0.573 7.189 0.000) 7.212 4.609 ( 4.131 2.096 0.000) 4.633 4.668 ( -1.566 -5.340 0.000) 5.565 4.677 ( -0.210 0.342 0.000) 0.402 4.720 ( 8.718 6.539 0.000) 10.898 4.752 ( -7.124 1.028 0.000) 7.198 4.821 ( -0.573 2.939 0.000) 2.995 4.904 ( -7.594 -0.972 0.000) 7.656 4.908 ( -4.732 4.419 0.000) 6.475 5.013 ( 6.195 0.309 0.000) 6.203 5.091 ( 6.262 2.337 0.000) 6.684 5.191 ( 2.556 2.034 0.000) 3.267 5.260 ( -7.745 -0.650 0.000) 7.772 5.346 ( 1.059 0.558 0.000) 1.197 5.447 ( -8.713 1.100 0.000) 8.783 5.537 ( 4.530 -7.686 0.000) 8.922 5.595 ( 1.274 7.959 0.000) 8.060 5.617 ( -3.243 -0.089 0.000) 3.244 5.670 ( -5.207 -0.133 0.000) 5.209 5.752 ( 2.089 1.485 0.000) 2.563 5.752 ( 1.530 1.015 0.000) 1.836 5.878 ( -1.806 10.859 0.000) 11.008 5.892 ( -2.954 2.591 0.000) 3.929 5.992 ( 0.032 3.691 0.000) 3.691 6.025 ( -4.103 -0.010 0.000) 4.103 6.160 ( 1.639 8.475 0.000) 8.632 6.221 ( -2.866 8.261 0.000) 8.744 6.294 ( -0.654 13.035 0.000) 13.052 6.298 ( -1.029 15.175 0.000) 15.210 6.385 ( -3.260 17.180 0.000) 17.487 6.409 ( -4.843 12.330 0.000) 13.247 6.543 ( 0.914 3.401 0.000) 3.522 6.552 ( -0.368 2.842 0.000) 2.866 6.719 ( 4.123 9.740 0.000) 10.576 6.786 ( -0.815 6.268 0.000) 6.321 6.899 ( 11.727 4.754 0.000) 12.654 6.965 ( 0.732 1.283 0.000) 1.477 6.976 ( 4.098 -2.841 0.000) 4.987 7.060 ( 4.298 0.764 0.000) 4.365 7.156 ( 1.684 -1.495 0.000) 2.252 7.165 ( -4.156 2.968 0.000) 5.107 7.267 ( 6.523 8.476 0.000) 10.696 7.283 ( 3.503 -0.638 0.000) 3.561 7.339 ( 0.219 -0.847 0.000) 0.875 7.382 ( 9.898 -0.910 0.000) 9.940 7.435 ( 7.638 3.514 0.000) 8.407 7.486 ( -8.449 4.998 0.000) 9.817 7.596 ( 3.486 6.427 0.000) 7.312 7.648 ( 0.427 5.710 0.000) 5.725 7.694 ( 1.489 8.734 0.000) 8.860 7.728 ( 5.552 7.647 0.000) 9.450 7.775 ( 2.964 5.545 0.000) 6.288 7.805 ( 7.897 5.763 0.000) 9.776 7.821 ( -6.616 0.226 0.000) 6.620 7.856 ( 1.668 6.557 0.000) 6.765 8.000 ( 6.473 7.506 0.000) 9.911 8.007 ( -0.730 6.825 0.000) 6.864 8.013 ( 6.631 6.495 0.000) 9.282 8.093 ( -0.332 11.950 0.000) 11.955 8.148 ( 3.258 10.603 0.000) 11.092 8.198 ( -4.957 13.551 0.000) 14.429 8.221 ( -7.571 4.048 0.000) 8.585 8.463 ( -14.032 -1.887 0.000) 14.159 8.530 ( 9.345 0.601 0.000) 9.364 8.601 ( -0.315 -9.037 0.000) 9.043 8.624 ( 6.101 3.225 0.000) 6.901 8.710 ( -1.886 -5.349 0.000) 5.671 8.857 ( 9.494 -6.512 0.000) 11.512 8.893 ( 4.865 -3.609 0.000) 6.058 8.943 ( 4.671 -2.951 0.000) 5.525 9.011 ( 3.293 3.176 0.000) 4.575 9.024 ( 0.797 -8.898 0.000) 8.934 9.095 ( -4.358 -7.323 0.000) 8.522 9.144 ( 9.369 -0.850 0.000) 9.408 9.198 ( 5.006 2.402 0.000) 5.553 9.305 ( -3.363 -9.717 0.000) 10.282 9.333 ( -2.201 -6.320 0.000) 6.692 9.525 ( 0.348 -0.624 0.000) 0.714 9.532 ( -3.612 5.407 0.000) 6.502 9.709 ( 1.905 3.772 0.000) 4.226 9.752 ( -0.633 -0.291 0.000) 0.697 9.754 ( 10.276 9.092 0.000) 13.721 9.781 ( 6.396 4.075 0.000) 7.584 9.849 ( 4.535 3.785 0.000) 5.907 9.876 ( 0.302 1.161 0.000) 1.199 9.947 ( -0.238 -4.282 0.000) 4.289 10.002 ( 5.584 -0.483 0.000) 5.604 10.062 ( -10.079 3.592 0.000) 10.700 10.182 ( -3.482 3.919 0.000) 5.243 10.202 ( 7.974 -1.057 0.000) 8.043 10.224 ( 4.210 3.822 0.000) 5.686 10.265 ( 3.452 -0.079 0.000) 3.453 10.303 ( -1.560 -3.826 0.000) 4.132 10.346 ( 1.109 3.158 0.000) 3.347 10.451 ( -7.567 4.760 0.000) 8.940 10.482 ( -1.398 6.501 0.000) 6.650 10.516 ( 1.966 0.855 0.000) 2.144 10.627 ( -1.009 4.922 0.000) 5.024 10.674 ( 8.276 0.806 0.000) 8.315 10.743 ( 6.016 -0.826 0.000) 6.072 10.781 ( 10.803 -1.483 0.000) 10.904 10.957 ( -13.637 -4.371 0.000) 14.320 11.017 ( -9.944 -4.385 0.000) 10.868 11.071 ( -3.859 -2.626 0.000) 4.668 11.129 ( -5.964 0.594 0.000) 5.994 11.133 ( 3.878 1.306 0.000) 4.092 11.211 ( 1.290 -1.901 0.000) 2.297 11.218 ( 5.689 5.586 0.000) 7.973 11.290 ( -1.634 -0.130 0.000) 1.639 11.304 ( -8.262 -2.013 0.000) 8.503 11.464 ( 8.009 0.051 0.000) 8.009 11.485 ( 7.404 0.033 0.000) 7.404 11.488 ( -9.243 -0.201 0.000) 9.245 11.566 ( -12.313 -0.429 0.000) 12.321 11.568 ( -12.625 -2.167 0.000) 12.809 11.679 ( -1.521 -0.261 0.000) 1.543 11.679 ( -2.445 -0.799 0.000) 2.572 12.050 ( 4.636 0.120 0.000) 4.637 12.088 ( 6.084 -0.459 0.000) 6.102 12.278 ( -11.905 -5.078 0.000) 12.943 12.308 ( -12.033 -4.860 0.000) 12.977 12.689 ( 13.037 5.396 0.000) 14.110 12.844 ( 13.330 2.530 0.000) 13.568 12.892 ( -2.659 5.189 0.000) 5.831 13.024 ( -3.937 9.237 0.000) 10.041 13.064 ( 8.165 -4.250 0.000) 9.205 13.094 ( 2.731 2.664 0.000) 3.815 13.226 ( -1.561 -4.243 0.000) 4.521 13.276 ( -3.328 6.075 0.000) 6.927 13.428 ( -0.101 -2.040 0.000) 2.043 13.456 ( -1.806 -10.448 0.000) 10.603 13.483 ( 8.510 0.881 0.000) 8.555 13.625 ( -4.491 -1.570 0.000) 4.758 13.951 ( 10.859 -5.866 0.000) 12.342 14.031 ( 12.794 -7.446 0.000) 14.803 14.133 ( -4.260 -5.758 0.000) 7.162 14.194 ( -0.426 -3.385 0.000) 3.412 14.507 ( 2.239 -4.806 0.000) 5.302 14.534 ( 2.017 -5.120 0.000) 5.503 14.549 ( 2.999 -8.232 0.000) 8.762 14.616 ( -0.128 -6.616 0.000) 6.617 14.711 ( -0.229 2.588 0.000) 2.598 14.726 ( 2.627 -7.677 0.000) 8.114 14.738 ( 1.392 -6.543 0.000) 6.689 14.758 ( -3.875 -4.153 0.000) 5.680 14.896 ( 6.320 -4.239 0.000) 7.610 14.907 ( 6.271 -10.513 0.000) 12.241 14.946 ( 1.028 -8.499 0.000) 8.561 15.006 ( -2.505 -6.523 0.000) 6.987 15.269 ( 9.949 4.633 0.000) 10.975 15.400 ( -2.146 6.932 0.000) 7.256 15.501 ( 5.148 4.856 0.000) 7.077 15.566 ( -0.205 7.308 0.000) 7.311 15.998 ( 16.836 -10.078 0.000) 19.622 16.072 ( 17.349 -7.050 0.000) 18.727 16.274 ( -6.533 -6.020 0.000) 8.883 16.348 ( -8.549 -1.647 0.000) 8.706 16.642 ( 17.935 29.702 0.000) 34.697 16.660 ( 13.316 29.350 0.000) 32.229 16.858 ( -0.834 29.760 0.000) 29.772 16.937 ( -8.084 24.164 0.000) 25.480 17.296 ( 19.377 27.873 0.000) 33.947 17.317 ( 9.339 16.982 0.000) 19.381 17.374 ( 12.823 28.286 0.000) 31.057 17.441 ( 9.813 17.834 0.000) 20.356 17.710 ( -9.637 28.050 0.000) 29.660 17.722 ( -7.295 27.887 0.000) 28.826 17.771 ( -11.817 29.222 0.000) 31.521 17.781 ( -13.506 32.639 0.000) 35.323 20.490 ( 27.298 -46.523 0.000) 53.941 20.585 ( 28.212 -47.331 0.000) 55.101 21.103 ( -25.549 -43.181 0.000) 50.173 21.175 ( -18.757 -40.418 0.000) 44.558 21.514 ( 10.142 -35.480 0.000) 36.901 21.557 ( 14.781 -32.872 0.000) 36.042 21.880 ( -10.037 -29.613 0.000) 31.268 21.901 ( -6.087 -26.834 0.000) 27.516 22.114 ( 6.313 -25.232 0.000) 26.010 22.130 ( -1.187 -27.041 0.000) 27.067 22.364 ( -14.256 -25.613 0.000) 29.313 22.438 ( -16.472 -26.019 0.000) 30.795 ======================= Grid point 36 (21/50) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 0.000 26.661 0.000) 26.661 2.735 ( 0.000 24.562 0.000) 24.562 2.845 ( 0.000 13.886 0.000) 13.886 2.969 ( 0.000 -9.465 0.000) 9.465 3.076 ( 0.000 20.298 0.000) 20.298 3.118 ( 0.000 15.062 0.000) 15.062 3.371 ( 0.000 -2.463 0.000) 2.463 3.422 ( 0.000 -9.667 0.000) 9.667 3.558 ( 0.000 -7.825 0.000) 7.825 3.597 ( 0.000 -9.504 0.000) 9.504 3.661 ( 0.000 0.727 0.000) 0.727 3.681 ( 0.000 0.717 0.000) 0.717 3.693 ( 0.000 0.141 0.000) 0.141 3.695 ( 0.000 3.900 0.000) 3.900 3.746 ( 0.000 -7.465 0.000) 7.465 3.967 ( 0.000 -11.580 0.000) 11.580 4.023 ( 0.000 9.508 0.000) 9.508 4.035 ( 0.000 7.757 0.000) 7.757 4.087 ( 0.000 -0.587 0.000) 0.587 4.195 ( 0.000 -6.186 0.000) 6.186 4.244 ( 0.000 -5.206 0.000) 5.206 4.321 ( 0.000 -14.139 0.000) 14.139 4.655 ( 0.000 17.659 0.000) 17.659 4.674 ( 0.000 11.761 0.000) 11.761 4.732 ( 0.000 10.539 0.000) 10.539 4.831 ( 0.000 -5.272 0.000) 5.272 4.903 ( 0.000 -5.437 0.000) 5.437 4.913 ( 0.000 -5.764 0.000) 5.764 5.093 ( 0.000 7.757 0.000) 7.757 5.162 ( 0.000 0.874 0.000) 0.874 5.191 ( 0.000 9.587 0.000) 9.587 5.192 ( 0.000 2.686 0.000) 2.686 5.351 ( 0.000 2.797 0.000) 2.797 5.359 ( 0.000 8.192 0.000) 8.192 5.369 ( 0.000 0.721 0.000) 0.721 5.371 ( 0.000 6.158 0.000) 6.158 5.448 ( 0.000 -1.873 0.000) 1.873 5.540 ( 0.000 4.401 0.000) 4.401 5.548 ( 0.000 -6.357 0.000) 6.357 5.557 ( 0.000 6.837 0.000) 6.837 5.736 ( 0.000 -0.657 0.000) 0.657 5.783 ( 0.000 13.230 0.000) 13.230 5.894 ( 0.000 -8.791 0.000) 8.791 5.992 ( 0.000 -3.615 0.000) 3.615 5.994 ( 0.000 3.182 0.000) 3.182 6.001 ( 0.000 6.551 0.000) 6.551 6.041 ( 0.000 0.880 0.000) 0.880 6.104 ( 0.000 5.238 0.000) 5.238 6.150 ( 0.000 -0.405 0.000) 0.405 6.179 ( 0.000 -7.856 0.000) 7.856 6.270 ( 0.000 7.324 0.000) 7.324 6.369 ( 0.000 -0.418 0.000) 0.418 6.493 ( 0.000 6.429 0.000) 6.429 6.543 ( 0.000 3.343 0.000) 3.343 6.567 ( 0.000 -1.452 0.000) 1.452 6.617 ( 0.000 1.169 0.000) 1.169 6.627 ( 0.000 0.872 0.000) 0.872 6.643 ( 0.000 -3.291 0.000) 3.291 6.769 ( 0.000 3.907 0.000) 3.907 6.835 ( 0.000 5.880 0.000) 5.880 6.849 ( 0.000 5.346 0.000) 5.346 6.858 ( 0.000 -3.763 0.000) 3.763 6.984 ( 0.000 -5.389 0.000) 5.389 6.986 ( 0.000 -1.975 0.000) 1.975 7.015 ( 0.000 0.393 0.000) 0.393 7.075 ( 0.000 -0.794 0.000) 0.794 7.117 ( 0.000 0.396 0.000) 0.396 7.129 ( 0.000 -1.611 0.000) 1.611 7.141 ( 0.000 5.598 0.000) 5.598 7.257 ( 0.000 -0.354 0.000) 0.354 7.324 ( 0.000 -3.729 0.000) 3.729 7.328 ( 0.000 1.160 0.000) 1.160 7.411 ( 0.000 8.558 0.000) 8.558 7.473 ( 0.000 5.761 0.000) 5.761 7.494 ( 0.000 -1.009 0.000) 1.009 7.639 ( 0.000 -4.346 0.000) 4.346 7.818 ( 0.000 4.314 0.000) 4.314 7.842 ( 0.000 4.002 0.000) 4.002 7.854 ( 0.000 1.012 0.000) 1.012 7.882 ( 0.000 -3.747 0.000) 3.747 7.886 ( 0.000 2.442 0.000) 2.442 7.978 ( 0.000 -5.743 0.000) 5.743 8.051 ( 0.000 3.390 0.000) 3.390 8.078 ( 0.000 -1.079 0.000) 1.079 8.097 ( 0.000 3.108 0.000) 3.108 8.176 ( 0.000 -4.468 0.000) 4.468 8.234 ( 0.000 1.621 0.000) 1.621 8.279 ( 0.000 -3.643 0.000) 3.643 8.499 ( 0.000 38.165 0.000) 38.165 8.505 ( 0.000 40.663 0.000) 40.663 8.771 ( 0.000 11.805 0.000) 11.805 8.785 ( 0.000 13.462 0.000) 13.462 8.861 ( 0.000 3.097 0.000) 3.097 8.958 ( 0.000 0.695 0.000) 0.695 8.959 ( 0.000 17.031 0.000) 17.031 9.050 ( 0.000 0.778 0.000) 0.778 9.055 ( 0.000 3.702 0.000) 3.702 9.139 ( 0.000 25.757 0.000) 25.757 9.143 ( 0.000 -2.166 0.000) 2.166 9.181 ( 0.000 10.927 0.000) 10.927 9.208 ( 0.000 14.809 0.000) 14.809 9.295 ( 0.000 6.639 0.000) 6.639 9.373 ( 0.000 12.246 0.000) 12.246 9.437 ( 0.000 3.374 0.000) 3.374 9.501 ( 0.000 10.592 0.000) 10.592 9.609 ( 0.000 -3.825 0.000) 3.825 9.615 ( 0.000 24.728 0.000) 24.728 9.681 ( 0.000 7.369 0.000) 7.369 9.870 ( 0.000 11.286 0.000) 11.286 9.939 ( 0.000 9.630 0.000) 9.630 10.009 ( 0.000 5.287 0.000) 5.287 10.071 ( 0.000 -8.693 0.000) 8.693 10.182 ( 0.000 4.555 0.000) 4.555 10.184 ( 0.000 17.697 0.000) 17.697 10.204 ( 0.000 13.221 0.000) 13.221 10.284 ( 0.000 -11.109 0.000) 11.109 10.288 ( 0.000 -9.200 0.000) 9.200 10.396 ( 0.000 -2.465 0.000) 2.465 10.522 ( 0.000 -4.657 0.000) 4.657 10.540 ( 0.000 -15.847 0.000) 15.847 10.642 ( 0.000 3.332 0.000) 3.332 10.662 ( 0.000 5.606 0.000) 5.606 10.712 ( 0.000 -9.176 0.000) 9.176 10.789 ( 0.000 -28.661 0.000) 28.661 10.977 ( 0.000 -6.209 0.000) 6.209 11.087 ( 0.000 -0.193 0.000) 0.193 11.122 ( 0.000 -2.709 0.000) 2.709 11.152 ( 0.000 -13.798 0.000) 13.798 11.200 ( 0.000 -1.169 0.000) 1.169 11.206 ( 0.000 1.889 0.000) 1.889 11.209 ( 0.000 -16.861 0.000) 16.861 11.242 ( 0.000 -6.409 0.000) 6.409 11.441 ( 0.000 7.141 0.000) 7.141 11.489 ( 0.000 18.445 0.000) 18.445 11.580 ( 0.000 8.137 0.000) 8.137 11.593 ( 0.000 16.683 0.000) 16.683 11.791 ( 0.000 -12.502 0.000) 12.502 11.859 ( 0.000 -24.288 0.000) 24.288 11.962 ( 0.000 -16.207 0.000) 16.207 12.007 ( 0.000 -18.876 0.000) 18.876 12.012 ( 0.000 -3.548 0.000) 3.548 12.103 ( 0.000 10.442 0.000) 10.442 12.143 ( 0.000 -14.784 0.000) 14.784 12.200 ( 0.000 -4.389 0.000) 4.389 12.267 ( 0.000 -1.099 0.000) 1.099 12.278 ( 0.000 -14.768 0.000) 14.768 12.379 ( 0.000 -10.301 0.000) 10.301 12.485 ( 0.000 -19.245 0.000) 19.245 12.680 ( 0.000 8.615 0.000) 8.615 12.960 ( 0.000 -13.842 0.000) 13.842 13.018 ( 0.000 0.491 0.000) 0.491 13.111 ( 0.000 -2.919 0.000) 2.919 13.166 ( 0.000 -8.836 0.000) 8.836 13.169 ( 0.000 -9.256 0.000) 9.256 13.354 ( 0.000 1.939 0.000) 1.939 13.422 ( 0.000 -4.118 0.000) 4.118 13.462 ( 0.000 -4.166 0.000) 4.166 13.493 ( 0.000 -7.118 0.000) 7.118 13.599 ( 0.000 -1.015 0.000) 1.015 13.608 ( 0.000 -3.986 0.000) 3.986 13.819 ( 0.000 3.596 0.000) 3.596 13.843 ( 0.000 -0.064 0.000) 0.064 13.883 ( 0.000 -5.746 0.000) 5.746 13.926 ( 0.000 -7.261 0.000) 7.261 13.979 ( 0.000 5.121 0.000) 5.121 14.043 ( 0.000 5.694 0.000) 5.694 14.111 ( 0.000 -5.742 0.000) 5.742 14.183 ( 0.000 -7.279 0.000) 7.279 14.258 ( 0.000 -2.247 0.000) 2.247 14.327 ( 0.000 -5.584 0.000) 5.584 14.451 ( 0.000 2.108 0.000) 2.108 14.563 ( 0.000 -9.657 0.000) 9.657 14.614 ( 0.000 10.243 0.000) 10.243 14.656 ( 0.000 -1.050 0.000) 1.050 14.803 ( 0.000 -13.578 0.000) 13.578 14.872 ( 0.000 -14.020 0.000) 14.020 15.241 ( 0.000 12.973 0.000) 12.973 15.254 ( 0.000 14.352 0.000) 14.352 15.555 ( 0.000 -18.605 0.000) 18.605 15.676 ( 0.000 9.689 0.000) 9.689 15.714 ( 0.000 -27.067 0.000) 27.067 15.969 ( 0.000 -17.455 0.000) 17.455 16.242 ( 0.000 19.460 0.000) 19.460 16.643 ( 0.000 -17.031 0.000) 17.031 16.725 ( 0.000 17.000 0.000) 17.000 16.732 ( 0.000 13.523 0.000) 13.523 16.874 ( 0.000 17.548 0.000) 17.548 16.950 ( 0.000 -7.142 0.000) 7.142 17.070 ( 0.000 -15.541 0.000) 15.541 17.074 ( 0.000 18.288 0.000) 18.288 17.253 ( 0.000 -19.617 0.000) 19.617 17.456 ( 0.000 -21.104 0.000) 21.104 21.544 ( 0.000 14.928 0.000) 14.928 21.675 ( 0.000 20.977 0.000) 20.977 21.685 ( 0.000 22.158 0.000) 22.158 21.699 ( 0.000 8.315 0.000) 8.315 21.760 ( 0.000 17.638 0.000) 17.638 21.890 ( 0.000 -19.354 0.000) 19.354 21.966 ( 0.000 -17.007 0.000) 17.007 21.991 ( 0.000 15.563 0.000) 15.563 22.164 ( 0.000 -25.790 0.000) 25.790 22.186 ( 0.000 -25.207 0.000) 25.207 22.248 ( 0.000 -28.143 0.000) 28.143 22.404 ( 0.000 -23.431 0.000) 23.431 ======================= Grid point 37 (22/50) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -5.715 22.267 0.000) 22.988 2.699 ( -0.075 26.517 0.000) 26.517 2.926 ( 7.775 17.159 0.000) 18.838 2.985 ( 10.164 7.289 0.000) 12.508 3.072 ( -9.211 -13.792 0.000) 16.585 3.265 ( 9.104 6.583 0.000) 11.235 3.288 ( -2.906 -13.254 0.000) 13.569 3.365 ( -1.483 -8.142 0.000) 8.276 3.588 ( 2.338 -5.116 0.000) 5.625 3.630 ( 2.523 -6.617 0.000) 7.082 3.665 ( -9.486 10.799 0.000) 14.373 3.717 ( 3.168 6.051 0.000) 6.830 3.724 ( 7.021 4.119 0.000) 8.140 3.851 ( 11.735 2.412 0.000) 11.980 3.918 ( 4.698 -1.587 0.000) 4.959 3.948 ( 1.858 -4.778 0.000) 5.126 4.004 ( -2.155 -2.577 0.000) 3.360 4.037 ( 5.476 0.661 0.000) 5.515 4.120 ( 2.640 -7.583 0.000) 8.029 4.127 ( -3.103 -4.945 0.000) 5.838 4.262 ( 9.945 5.559 0.000) 11.393 4.444 ( 8.798 -10.217 0.000) 13.484 4.629 ( -6.553 11.289 0.000) 13.053 4.716 ( 2.043 12.217 0.000) 12.387 4.727 ( 1.872 10.192 0.000) 10.362 4.799 ( -2.299 -6.122 0.000) 6.540 4.816 ( -11.596 2.730 0.000) 11.913 4.919 ( -1.901 -7.554 0.000) 7.790 4.989 ( -5.562 9.238 0.000) 10.783 5.094 ( -1.705 2.439 0.000) 2.976 5.189 ( 5.928 -0.215 0.000) 5.932 5.264 ( 4.640 -3.402 0.000) 5.754 5.270 ( -5.649 10.276 0.000) 11.727 5.376 ( -3.100 4.872 0.000) 5.774 5.387 ( 1.927 2.720 0.000) 3.334 5.398 ( 4.232 4.875 0.000) 6.456 5.473 ( 0.788 3.179 0.000) 3.275 5.511 ( 1.592 0.897 0.000) 1.827 5.605 ( -8.476 0.141 0.000) 8.477 5.621 ( 4.039 -11.804 0.000) 12.476 5.694 ( -5.257 -4.266 0.000) 6.770 5.749 ( -5.724 -6.690 0.000) 8.804 6.038 ( -5.130 2.521 0.000) 5.716 6.049 ( 2.762 0.285 0.000) 2.776 6.096 ( 11.243 9.487 0.000) 14.711 6.163 ( 10.698 2.966 0.000) 11.102 6.175 ( 11.407 9.448 0.000) 14.811 6.221 ( 3.221 3.252 0.000) 4.578 6.247 ( -0.945 1.802 0.000) 2.035 6.268 ( 7.239 2.184 0.000) 7.561 6.292 ( 2.394 0.808 0.000) 2.527 6.310 ( 9.058 -1.526 0.000) 9.185 6.422 ( 4.048 7.842 0.000) 8.825 6.504 ( 4.196 0.911 0.000) 4.294 6.522 ( -4.504 8.866 0.000) 9.944 6.614 ( -1.365 8.498 0.000) 8.607 6.632 ( -2.350 -0.985 0.000) 2.548 6.712 ( -4.674 -3.353 0.000) 5.752 6.753 ( -5.596 -2.734 0.000) 6.228 6.763 ( 4.840 -2.636 0.000) 5.511 6.842 ( -2.057 3.667 0.000) 4.204 6.881 ( 1.009 4.053 0.000) 4.177 6.935 ( -8.755 -0.273 0.000) 8.759 6.977 ( 0.541 -3.654 0.000) 3.694 6.995 ( 0.208 6.763 0.000) 6.766 7.089 ( 10.618 -0.835 0.000) 10.650 7.101 ( 0.080 -3.863 0.000) 3.864 7.103 ( 7.805 -1.630 0.000) 7.974 7.219 ( 7.262 3.527 0.000) 8.074 7.281 ( 2.086 -2.882 0.000) 3.558 7.401 ( 8.041 2.950 0.000) 8.565 7.404 ( 11.061 0.813 0.000) 11.091 7.442 ( 1.047 5.935 0.000) 6.027 7.474 ( -1.336 3.019 0.000) 3.301 7.579 ( 5.221 1.095 0.000) 5.335 7.648 ( -1.862 -1.247 0.000) 2.241 7.814 ( -1.958 4.032 0.000) 4.483 7.897 ( 4.306 -3.602 0.000) 5.614 7.898 ( 2.833 2.840 0.000) 4.011 7.934 ( 5.509 -0.625 0.000) 5.544 7.968 ( 1.087 6.161 0.000) 6.256 8.002 ( 8.262 3.535 0.000) 8.986 8.040 ( -1.670 -2.447 0.000) 2.962 8.051 ( 5.096 -1.300 0.000) 5.260 8.189 ( 7.053 6.890 0.000) 9.860 8.197 ( -1.051 5.876 0.000) 5.969 8.327 ( 9.632 -6.840 0.000) 11.814 8.366 ( 4.828 -8.201 0.000) 9.517 8.539 ( 2.743 30.993 0.000) 31.114 8.605 ( 5.563 23.333 0.000) 23.987 8.729 ( -2.878 9.767 0.000) 10.182 8.764 ( -2.713 5.385 0.000) 6.030 8.836 ( -6.793 13.520 0.000) 15.131 8.857 ( 1.027 0.950 0.000) 1.399 8.911 ( -4.138 1.418 0.000) 4.374 8.962 ( -8.452 3.157 0.000) 9.023 9.112 ( 4.260 6.242 0.000) 7.557 9.129 ( -0.490 11.295 0.000) 11.305 9.226 ( 6.716 2.647 0.000) 7.219 9.237 ( -0.594 4.011 0.000) 4.054 9.331 ( 7.126 11.593 0.000) 13.608 9.351 ( 2.311 19.301 0.000) 19.438 9.422 ( 1.870 12.215 0.000) 12.358 9.499 ( 17.902 3.425 0.000) 18.226 9.574 ( 1.928 25.677 0.000) 25.749 9.621 ( 2.435 -2.228 0.000) 3.301 9.663 ( 11.774 1.334 0.000) 11.850 9.806 ( 7.514 4.982 0.000) 9.016 9.848 ( -0.374 11.326 0.000) 11.332 9.927 ( -5.597 3.538 0.000) 6.622 9.954 ( 2.697 6.089 0.000) 6.659 10.080 ( -0.018 -10.718 0.000) 10.718 10.135 ( -2.262 3.770 0.000) 4.397 10.163 ( -1.273 9.265 0.000) 9.352 10.215 ( 0.951 7.795 0.000) 7.853 10.287 ( 1.070 -5.270 0.000) 5.378 10.289 ( 0.806 0.198 0.000) 0.830 10.325 ( -4.082 5.323 0.000) 6.708 10.562 ( 2.714 0.671 0.000) 2.796 10.614 ( 3.544 -20.582 0.000) 20.885 10.659 ( -0.871 7.176 0.000) 7.229 10.676 ( 3.200 -4.512 0.000) 5.531 10.744 ( 4.416 -9.990 0.000) 10.923 10.791 ( 0.743 -22.421 0.000) 22.433 10.989 ( 1.116 -1.261 0.000) 1.684 11.073 ( -4.011 5.129 0.000) 6.511 11.120 ( 0.878 1.706 0.000) 1.918 11.167 ( -4.039 10.464 0.000) 11.216 11.203 ( 5.390 -0.492 0.000) 5.412 11.227 ( 2.719 2.586 0.000) 3.752 11.278 ( 3.450 -2.966 0.000) 4.550 11.285 ( 3.788 -11.960 0.000) 12.546 11.426 ( -3.951 2.983 0.000) 4.951 11.487 ( 0.725 -1.459 0.000) 1.629 11.524 ( -1.635 5.979 0.000) 6.199 11.577 ( -1.548 9.784 0.000) 9.905 11.676 ( -7.968 -14.114 0.000) 16.208 11.799 ( -5.779 -24.169 0.000) 24.850 11.867 ( -7.523 -17.944 0.000) 19.457 11.946 ( -5.391 -19.421 0.000) 20.155 12.089 ( 6.122 5.959 0.000) 8.543 12.116 ( -2.439 -1.639 0.000) 2.938 12.170 ( -2.230 -3.808 0.000) 4.413 12.221 ( 9.090 7.877 0.000) 12.028 12.281 ( 0.069 -13.228 0.000) 13.229 12.330 ( 1.342 -4.382 0.000) 4.583 12.456 ( 11.401 -11.200 0.000) 15.982 12.558 ( 4.787 -18.971 0.000) 19.566 12.702 ( 2.806 5.654 0.000) 6.312 12.935 ( -1.848 -12.991 0.000) 13.122 13.038 ( 2.766 -0.082 0.000) 2.767 13.122 ( -0.418 -3.336 0.000) 3.363 13.143 ( -1.209 -5.829 0.000) 5.953 13.177 ( 1.786 -9.858 0.000) 10.018 13.359 ( -0.231 2.254 0.000) 2.265 13.431 ( -0.363 -4.466 0.000) 4.480 13.538 ( 9.182 0.547 0.000) 9.199 13.635 ( 7.103 4.730 0.000) 8.534 13.650 ( 11.702 -9.632 0.000) 15.156 13.726 ( 7.651 -3.619 0.000) 8.464 13.874 ( 5.189 7.396 0.000) 9.034 13.977 ( 7.657 -3.317 0.000) 8.345 13.980 ( 10.658 -2.467 0.000) 10.940 14.017 ( 9.431 -5.831 0.000) 11.088 14.061 ( 7.089 3.349 0.000) 7.840 14.143 ( 8.678 3.986 0.000) 9.549 14.214 ( 7.068 -8.526 0.000) 11.075 14.279 ( 8.910 -7.635 0.000) 11.734 14.316 ( 7.375 2.370 0.000) 7.746 14.396 ( 6.116 -3.284 0.000) 6.942 14.544 ( 7.552 0.512 0.000) 7.569 14.623 ( 5.747 -7.911 0.000) 9.778 14.745 ( 11.027 1.221 0.000) 11.094 14.768 ( 7.002 -4.299 0.000) 8.217 14.842 ( 8.130 -8.847 0.000) 12.015 14.959 ( 8.595 -11.062 0.000) 14.009 15.271 ( 3.251 11.631 0.000) 12.077 15.303 ( 5.683 18.071 0.000) 18.943 15.643 ( 9.037 -22.573 0.000) 24.315 15.791 ( 7.491 -27.849 0.000) 28.839 15.798 ( 11.935 11.276 0.000) 16.419 16.124 ( 15.430 -19.099 0.000) 24.554 16.305 ( 5.945 18.349 0.000) 19.288 16.679 ( 3.563 -15.169 0.000) 15.582 16.761 ( 3.371 14.490 0.000) 14.877 16.794 ( 6.900 17.429 0.000) 18.745 16.923 ( 5.125 16.862 0.000) 17.624 16.998 ( 5.045 -7.978 0.000) 9.439 17.068 ( -0.111 17.966 0.000) 17.966 17.149 ( 8.088 -15.879 0.000) 17.820 17.296 ( 4.465 -18.872 0.000) 19.393 17.434 ( -1.638 -19.471 0.000) 19.540 21.343 ( -18.642 18.491 0.000) 26.257 21.462 ( -20.943 15.447 0.000) 26.024 21.579 ( -8.864 22.818 0.000) 24.479 21.628 ( -7.464 21.110 0.000) 22.391 21.700 ( -3.096 19.502 0.000) 19.746 21.792 ( -9.701 -22.809 0.000) 24.786 21.866 ( -10.383 -22.602 0.000) 24.872 21.936 ( -4.567 13.174 0.000) 13.943 22.132 ( -3.703 -25.502 0.000) 25.770 22.136 ( -5.131 -27.118 0.000) 27.599 22.232 ( -1.531 -28.676 0.000) 28.716 22.383 ( -2.055 -24.537 0.000) 24.623 ======================= Grid point 38 (23/50) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -14.424 16.493 0.000) 21.911 2.654 ( -22.711 -9.452 0.000) 24.599 2.749 ( 3.226 18.401 0.000) 18.681 3.089 ( -4.840 -13.799 0.000) 14.623 3.094 ( -2.429 2.517 0.000) 3.498 3.201 ( -13.286 -3.715 0.000) 13.795 3.339 ( 4.081 13.331 0.000) 13.942 3.378 ( -8.122 7.633 0.000) 11.146 3.445 ( -4.005 6.642 0.000) 7.756 3.541 ( -7.363 -0.967 0.000) 7.426 3.623 ( -6.833 -7.805 0.000) 10.373 3.722 ( 9.558 -13.086 0.000) 16.205 3.855 ( -4.671 2.932 0.000) 5.515 3.942 ( 2.312 -4.162 0.000) 4.761 4.004 ( 13.484 4.659 0.000) 14.266 4.072 ( 13.755 0.094 0.000) 13.755 4.123 ( 7.452 2.822 0.000) 7.968 4.244 ( 7.205 -6.369 0.000) 9.616 4.264 ( 14.455 3.786 0.000) 14.943 4.344 ( 13.754 -4.165 0.000) 14.371 4.364 ( -14.757 10.516 0.000) 18.121 4.405 ( -4.827 5.816 0.000) 7.558 4.497 ( -6.070 -1.032 0.000) 6.157 4.571 ( -19.052 -8.806 0.000) 20.988 4.665 ( 5.863 4.297 0.000) 7.269 4.750 ( 5.161 -2.355 0.000) 5.673 4.815 ( 1.930 4.012 0.000) 4.452 4.889 ( -1.379 -2.461 0.000) 2.821 4.985 ( 0.827 6.904 0.000) 6.954 5.041 ( -12.213 5.768 0.000) 13.507 5.055 ( -2.319 1.743 0.000) 2.901 5.163 ( -18.779 -4.495 0.000) 19.309 5.256 ( -5.003 1.843 0.000) 5.332 5.319 ( -1.603 -2.537 0.000) 3.001 5.346 ( -6.385 2.900 0.000) 7.012 5.376 ( -6.569 0.514 0.000) 6.589 5.501 ( -8.821 6.388 0.000) 10.891 5.539 ( 8.433 7.102 0.000) 11.025 5.546 ( 3.889 1.685 0.000) 4.239 5.618 ( -1.210 -3.160 0.000) 3.383 5.639 ( -2.813 -3.960 0.000) 4.858 5.704 ( 3.370 -6.867 0.000) 7.650 5.918 ( -12.546 5.730 0.000) 13.792 5.942 ( -1.257 6.517 0.000) 6.637 6.031 ( -10.693 -4.066 0.000) 11.440 6.059 ( -2.789 -3.828 0.000) 4.737 6.184 ( -7.147 9.956 0.000) 12.255 6.270 ( -3.691 11.490 0.000) 12.068 6.281 ( -6.711 -0.788 0.000) 6.757 6.358 ( 5.496 9.293 0.000) 10.796 6.408 ( 5.747 5.333 0.000) 7.840 6.443 ( -3.409 -1.384 0.000) 3.680 6.477 ( -1.585 1.089 0.000) 1.924 6.550 ( 3.708 4.316 0.000) 5.690 6.573 ( 2.268 -0.977 0.000) 2.469 6.635 ( 7.534 0.860 0.000) 7.583 6.637 ( 5.319 3.981 0.000) 6.644 6.670 ( 2.822 3.466 0.000) 4.470 6.753 ( -0.809 -4.951 0.000) 5.017 6.796 ( 2.057 -7.798 0.000) 8.065 6.807 ( 3.639 -1.655 0.000) 3.998 6.919 ( 5.908 -4.867 0.000) 7.655 6.952 ( 2.842 10.857 0.000) 11.222 7.039 ( 6.871 4.131 0.000) 8.018 7.131 ( 9.082 4.175 0.000) 9.996 7.232 ( 9.097 10.377 0.000) 13.800 7.283 ( 9.397 -8.900 0.000) 12.943 7.307 ( 1.347 4.076 0.000) 4.293 7.403 ( -0.586 2.358 0.000) 2.429 7.440 ( 12.099 7.923 0.000) 14.462 7.460 ( -0.461 0.386 0.000) 0.601 7.506 ( 17.672 2.643 0.000) 17.868 7.568 ( 2.871 -1.602 0.000) 3.287 7.629 ( 11.342 6.772 0.000) 13.210 7.629 ( -0.594 -6.179 0.000) 6.207 7.729 ( 15.321 -0.836 0.000) 15.344 7.855 ( -6.922 9.364 0.000) 11.645 7.897 ( 8.989 11.125 0.000) 14.303 7.966 ( -0.641 -1.243 0.000) 1.399 8.032 ( 8.719 2.885 0.000) 9.184 8.115 ( 9.373 2.598 0.000) 9.727 8.131 ( 5.213 8.973 0.000) 10.377 8.151 ( 3.157 2.133 0.000) 3.810 8.158 ( 12.535 -4.201 0.000) 13.220 8.201 ( 2.327 1.413 0.000) 2.722 8.341 ( 6.306 9.908 0.000) 11.744 8.397 ( -2.560 -12.525 0.000) 12.784 8.492 ( 5.053 -6.258 0.000) 8.043 8.585 ( -0.256 9.009 0.000) 9.013 8.590 ( -6.725 6.123 0.000) 9.095 8.718 ( 4.024 8.983 0.000) 9.843 8.726 ( 0.232 -3.360 0.000) 3.368 8.742 ( -4.629 0.623 0.000) 4.670 8.791 ( -2.374 8.278 0.000) 8.612 8.880 ( 2.357 1.093 0.000) 2.598 8.903 ( 2.567 -5.411 0.000) 5.989 9.066 ( -5.762 -1.850 0.000) 6.051 9.114 ( -2.275 3.751 0.000) 4.387 9.142 ( -4.699 -6.200 0.000) 7.779 9.223 ( -7.587 -7.096 0.000) 10.389 9.448 ( 7.202 16.807 0.000) 18.285 9.498 ( 6.661 19.212 0.000) 20.334 9.601 ( 9.745 17.956 0.000) 20.430 9.692 ( 3.365 -4.753 0.000) 5.823 9.719 ( 8.111 22.789 0.000) 24.190 9.795 ( 1.593 -3.668 0.000) 3.999 9.840 ( 5.215 13.836 0.000) 14.786 9.913 ( 10.502 5.246 0.000) 11.739 9.949 ( 8.807 0.860 0.000) 8.848 10.000 ( 6.348 2.317 0.000) 6.758 10.058 ( 0.166 -0.993 0.000) 1.006 10.116 ( 13.871 -1.722 0.000) 13.977 10.161 ( 0.407 2.056 0.000) 2.096 10.184 ( 4.915 -1.443 0.000) 5.123 10.228 ( 3.618 6.655 0.000) 7.575 10.232 ( -2.558 11.296 0.000) 11.582 10.320 ( 0.177 3.191 0.000) 3.196 10.366 ( 4.258 -8.630 0.000) 9.624 10.608 ( -3.788 -12.179 0.000) 12.754 10.630 ( 4.053 2.514 0.000) 4.770 10.664 ( 1.328 3.267 0.000) 3.526 10.708 ( -1.737 -12.848 0.000) 12.965 10.871 ( 7.153 -7.941 0.000) 10.688 10.873 ( 7.093 -9.160 0.000) 11.585 10.981 ( -4.262 10.986 0.000) 11.784 11.023 ( -7.553 16.937 0.000) 18.544 11.053 ( 4.991 9.708 0.000) 10.916 11.196 ( 4.389 10.476 0.000) 11.358 11.221 ( -4.560 5.471 0.000) 7.123 11.267 ( -0.710 8.681 0.000) 8.710 11.269 ( -2.288 5.393 0.000) 5.859 11.306 ( 2.326 7.207 0.000) 7.573 11.369 ( -6.074 -9.243 0.000) 11.060 11.475 ( -8.367 -5.187 0.000) 9.844 11.506 ( -0.078 1.012 0.000) 1.015 11.515 ( -5.647 -13.437 0.000) 14.575 11.559 ( 1.330 -15.209 0.000) 15.267 11.649 ( -6.699 -27.397 0.000) 28.204 11.730 ( -3.191 -16.442 0.000) 16.749 11.822 ( -6.440 -16.252 0.000) 17.482 12.099 ( 0.373 4.958 0.000) 4.972 12.121 ( -2.615 -0.559 0.000) 2.674 12.256 ( 6.287 -3.094 0.000) 7.007 12.286 ( 0.054 -14.365 0.000) 14.365 12.342 ( 4.578 6.942 0.000) 8.316 12.415 ( 9.950 12.918 0.000) 16.306 12.645 ( 4.078 -16.178 0.000) 16.684 12.730 ( 11.937 -14.794 0.000) 19.009 12.813 ( 7.370 4.958 0.000) 8.883 12.955 ( 5.008 -7.310 0.000) 8.861 13.092 ( -0.959 -1.725 0.000) 1.974 13.140 ( 2.422 -6.448 0.000) 6.888 13.154 ( 9.165 5.175 0.000) 10.525 13.302 ( 9.965 -6.988 0.000) 12.171 13.340 ( -1.541 2.314 0.000) 2.781 13.410 ( -1.722 -4.046 0.000) 4.397 13.775 ( 3.888 6.973 0.000) 7.984 13.801 ( 14.254 2.409 0.000) 14.456 13.876 ( 6.002 2.180 0.000) 6.386 13.895 ( 8.025 -4.015 0.000) 8.973 14.021 ( 11.848 1.900 0.000) 11.999 14.167 ( 9.743 -3.860 0.000) 10.479 14.203 ( 11.151 0.360 0.000) 11.157 14.225 ( 7.746 -2.330 0.000) 8.089 14.298 ( 14.492 -7.729 0.000) 16.424 14.337 ( 6.451 -8.712 0.000) 10.840 14.345 ( 9.675 3.742 0.000) 10.373 14.495 ( 9.693 -9.582 0.000) 13.630 14.548 ( 8.368 -0.652 0.000) 8.393 14.576 ( 12.606 -2.006 0.000) 12.764 14.703 ( 7.041 1.331 0.000) 7.166 14.767 ( 6.924 -5.294 0.000) 8.716 14.862 ( 7.606 2.756 0.000) 8.090 15.041 ( 16.465 -10.727 0.000) 19.651 15.145 ( 15.309 -0.445 0.000) 15.315 15.225 ( 15.947 -6.422 0.000) 17.192 15.420 ( 11.307 17.858 0.000) 21.136 15.499 ( 12.554 19.890 0.000) 23.521 15.919 ( 14.652 -27.110 0.000) 30.816 16.003 ( 11.638 -27.227 0.000) 29.610 16.173 ( 24.052 18.016 0.000) 30.051 16.491 ( 12.426 14.930 0.000) 19.424 16.590 ( 26.629 -17.692 0.000) 31.970 16.809 ( 10.113 -11.286 0.000) 15.154 16.917 ( 13.365 13.495 0.000) 18.993 17.031 ( 16.705 20.585 0.000) 26.511 17.091 ( 8.395 15.606 0.000) 17.721 17.131 ( 10.916 15.832 0.000) 19.230 17.196 ( 15.747 -11.518 0.000) 19.510 17.424 ( 18.415 -15.879 0.000) 24.316 17.427 ( 3.820 -16.235 0.000) 16.678 17.471 ( 12.330 -15.739 0.000) 19.993 20.834 ( -28.959 25.525 0.000) 38.602 20.914 ( -30.233 25.653 0.000) 39.650 21.343 ( -13.033 22.997 0.000) 26.433 21.396 ( -14.705 14.337 0.000) 20.537 21.456 ( -19.269 -24.814 0.000) 31.417 21.535 ( -20.904 -31.223 0.000) 37.575 21.679 ( -1.369 16.321 0.000) 16.378 21.823 ( -6.311 5.015 0.000) 8.061 21.968 ( -11.005 -30.284 0.000) 32.222 21.999 ( -8.720 -22.068 0.000) 23.728 22.178 ( -3.966 -28.255 0.000) 28.532 22.312 ( -5.083 -25.963 0.000) 26.456 ======================= Grid point 39 (24/50) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -5.679 6.096 0.000) 8.331 2.267 ( -12.449 -4.791 0.000) 13.339 2.724 ( -7.703 4.374 0.000) 8.858 2.834 ( -17.773 -6.325 0.000) 18.865 2.930 ( -8.509 2.124 0.000) 8.770 2.959 ( -6.909 1.603 0.000) 7.092 3.105 ( -13.503 6.701 0.000) 15.074 3.222 ( -12.006 -3.620 0.000) 12.540 3.350 ( -6.115 0.060 0.000) 6.115 3.450 ( -9.680 -7.141 0.000) 12.029 3.464 ( -6.023 12.220 0.000) 13.624 3.750 ( -11.278 -13.180 0.000) 17.347 3.831 ( 2.529 6.975 0.000) 7.420 3.992 ( 1.197 -7.375 0.000) 7.472 4.181 ( -2.701 2.139 0.000) 3.446 4.192 ( 1.495 2.223 0.000) 2.679 4.195 ( -0.721 1.977 0.000) 2.104 4.247 ( -6.601 -2.401 0.000) 7.024 4.274 ( -2.220 4.784 0.000) 5.274 4.302 ( 1.372 -0.085 0.000) 1.374 4.341 ( -3.070 -0.254 0.000) 3.081 4.437 ( 7.721 -5.262 0.000) 9.344 4.473 ( -0.065 3.957 0.000) 3.957 4.531 ( 4.468 -0.841 0.000) 4.547 4.711 ( -2.203 5.706 0.000) 6.117 4.735 ( -4.103 6.310 0.000) 7.527 4.795 ( -6.306 -1.698 0.000) 6.531 4.845 ( -3.349 -4.812 0.000) 5.863 4.881 ( -5.594 6.394 0.000) 8.496 4.911 ( -4.433 -0.171 0.000) 4.436 4.971 ( -4.369 -2.901 0.000) 5.244 4.974 ( -0.477 -4.687 0.000) 4.711 5.103 ( -11.846 3.983 0.000) 12.497 5.121 ( -0.257 7.956 0.000) 7.960 5.155 ( -10.376 -1.575 0.000) 10.495 5.253 ( -0.951 -4.911 0.000) 5.002 5.353 ( -2.111 5.764 0.000) 6.138 5.471 ( -6.251 -5.186 0.000) 8.123 5.632 ( -2.774 0.879 0.000) 2.910 5.665 ( -11.126 -1.409 0.000) 11.215 5.679 ( 5.165 2.233 0.000) 5.627 5.697 ( 2.923 -0.527 0.000) 2.970 5.744 ( -0.797 1.390 0.000) 1.602 5.798 ( -7.668 -3.239 0.000) 8.324 5.934 ( -0.320 2.314 0.000) 2.336 5.994 ( -1.519 -2.290 0.000) 2.748 6.116 ( -1.191 5.415 0.000) 5.545 6.151 ( -5.215 1.887 0.000) 5.546 6.318 ( 7.963 7.941 0.000) 11.245 6.362 ( -3.564 7.873 0.000) 8.642 6.426 ( 2.833 0.978 0.000) 2.997 6.473 ( 0.001 -1.507 0.000) 1.507 6.589 ( 6.505 9.465 0.000) 11.485 6.599 ( 3.155 0.413 0.000) 3.182 6.646 ( -4.597 0.481 0.000) 4.622 6.680 ( 11.262 1.268 0.000) 11.333 6.739 ( 1.498 3.919 0.000) 4.195 6.768 ( 5.382 -1.139 0.000) 5.502 6.800 ( 9.020 4.341 0.000) 10.010 6.856 ( 1.900 -1.431 0.000) 2.379 6.909 ( 3.870 5.457 0.000) 6.690 7.019 ( 1.036 3.923 0.000) 4.057 7.055 ( 5.526 -6.082 0.000) 8.218 7.083 ( 1.877 -1.160 0.000) 2.207 7.255 ( -0.990 3.203 0.000) 3.353 7.309 ( 0.188 -0.217 0.000) 0.288 7.330 ( 6.118 8.245 0.000) 10.267 7.410 ( 0.699 5.491 0.000) 5.536 7.437 ( 1.843 -1.074 0.000) 2.133 7.494 ( 5.524 -2.090 0.000) 5.907 7.667 ( 6.841 9.602 0.000) 11.790 7.713 ( 1.767 9.623 0.000) 9.784 7.719 ( 9.324 4.007 0.000) 10.148 7.745 ( 2.509 8.077 0.000) 8.458 7.759 ( 7.973 1.387 0.000) 8.092 7.814 ( 3.692 -4.641 0.000) 5.931 7.892 ( -5.300 -3.766 0.000) 6.502 7.929 ( 5.208 -5.059 0.000) 7.261 7.974 ( -2.064 13.890 0.000) 14.043 8.164 ( 1.993 -0.039 0.000) 1.993 8.209 ( 1.205 7.798 0.000) 7.891 8.274 ( 10.008 6.535 0.000) 11.953 8.291 ( -2.261 -1.043 0.000) 2.490 8.335 ( 0.164 2.234 0.000) 2.240 8.358 ( 5.819 -3.448 0.000) 6.764 8.388 ( 1.774 10.152 0.000) 10.306 8.398 ( 10.539 -4.735 0.000) 11.553 8.508 ( 0.585 -5.123 0.000) 5.156 8.527 ( -1.692 6.360 0.000) 6.581 8.556 ( 5.124 2.510 0.000) 5.705 8.700 ( 1.791 -3.558 0.000) 3.983 8.760 ( 3.219 -9.882 0.000) 10.393 8.819 ( 1.489 0.996 0.000) 1.791 8.846 ( 6.377 4.891 0.000) 8.037 8.923 ( -3.467 -11.262 0.000) 11.783 8.977 ( 4.781 -2.937 0.000) 5.611 9.008 ( 6.266 4.042 0.000) 7.457 9.103 ( 1.145 -2.631 0.000) 2.870 9.124 ( 1.582 -4.048 0.000) 4.347 9.141 ( 4.646 -7.571 0.000) 8.883 9.543 ( -0.383 9.840 0.000) 9.848 9.609 ( 6.315 5.981 0.000) 8.697 9.706 ( 0.784 -0.365 0.000) 0.865 9.710 ( -3.301 -6.137 0.000) 6.969 9.781 ( 5.628 7.457 0.000) 9.342 9.829 ( 0.352 14.774 0.000) 14.778 9.931 ( 1.327 13.869 0.000) 13.933 9.977 ( -3.114 -1.226 0.000) 3.347 10.011 ( 0.915 3.301 0.000) 3.426 10.096 ( -2.526 -1.395 0.000) 2.886 10.133 ( -0.687 9.537 0.000) 9.562 10.185 ( 3.024 -2.348 0.000) 3.828 10.217 ( 3.961 -5.202 0.000) 6.538 10.230 ( -1.036 12.031 0.000) 12.075 10.295 ( 6.346 2.012 0.000) 6.657 10.344 ( 1.507 2.760 0.000) 3.145 10.396 ( -2.762 1.783 0.000) 3.287 10.436 ( 9.342 -1.145 0.000) 9.412 10.524 ( -0.873 -7.429 0.000) 7.481 10.603 ( -5.170 -12.845 0.000) 13.847 10.703 ( 1.733 6.306 0.000) 6.540 10.714 ( 2.015 9.994 0.000) 10.195 10.835 ( -7.148 6.022 0.000) 9.347 10.861 ( -6.575 11.235 0.000) 13.017 11.010 ( -3.036 -13.508 0.000) 13.845 11.022 ( 0.861 -7.152 0.000) 7.204 11.068 ( 2.114 2.484 0.000) 3.262 11.151 ( -12.741 -7.664 0.000) 14.869 11.184 ( -1.363 5.567 0.000) 5.731 11.200 ( -5.786 -3.284 0.000) 6.653 11.241 ( -1.134 0.112 0.000) 1.140 11.315 ( 9.160 8.643 0.000) 12.593 11.340 ( 0.568 8.934 0.000) 8.952 11.360 ( 2.028 2.574 0.000) 3.277 11.423 ( -2.662 2.661 0.000) 3.764 11.490 ( 3.774 -0.391 0.000) 3.794 11.578 ( 0.858 -8.990 0.000) 9.031 11.619 ( 1.164 -10.060 0.000) 10.127 11.663 ( -8.742 -11.875 0.000) 14.745 11.667 ( -4.467 -11.696 0.000) 12.520 12.066 ( -2.196 2.150 0.000) 3.073 12.088 ( -1.299 4.931 0.000) 5.099 12.253 ( -3.428 -14.080 0.000) 14.491 12.262 ( -3.286 -10.385 0.000) 10.893 12.546 ( 11.744 8.725 0.000) 14.630 12.679 ( 14.074 11.099 0.000) 17.924 12.759 ( 7.408 -10.265 0.000) 12.659 12.951 ( 10.029 -13.749 0.000) 17.018 12.965 ( 2.986 4.089 0.000) 5.063 13.024 ( 2.369 -1.984 0.000) 3.090 13.158 ( 9.284 6.059 0.000) 11.086 13.230 ( -2.581 0.759 0.000) 2.690 13.336 ( -1.269 -4.179 0.000) 4.368 13.386 ( 11.400 8.713 0.000) 14.348 13.430 ( 12.067 -10.217 0.000) 15.811 13.524 ( 10.087 -3.952 0.000) 10.833 13.819 ( 1.234 8.330 0.000) 8.421 13.885 ( -1.858 12.156 0.000) 12.298 14.003 ( 2.295 -8.360 0.000) 8.669 14.055 ( 6.824 -2.433 0.000) 7.245 14.289 ( 9.683 -4.019 0.000) 10.485 14.379 ( 11.487 -9.946 0.000) 15.194 14.384 ( 8.710 1.864 0.000) 8.907 14.393 ( 5.902 2.129 0.000) 6.274 14.485 ( 3.635 -3.751 0.000) 5.223 14.503 ( 8.870 -8.730 0.000) 12.446 14.549 ( 8.790 -0.745 0.000) 8.821 14.660 ( 7.205 -8.677 0.000) 11.279 14.699 ( 4.947 -2.429 0.000) 5.511 14.712 ( 3.643 -3.315 0.000) 4.925 14.796 ( 1.695 3.000 0.000) 3.446 14.882 ( 3.296 -5.178 0.000) 6.138 15.148 ( 16.441 10.390 0.000) 19.449 15.384 ( 15.442 -10.594 0.000) 18.727 15.437 ( 13.545 2.206 0.000) 13.723 15.552 ( 15.329 -7.091 0.000) 16.890 15.637 ( 6.113 19.670 0.000) 20.598 15.748 ( 8.643 18.570 0.000) 20.482 16.082 ( 0.849 -20.581 0.000) 20.598 16.189 ( 3.214 -21.795 0.000) 22.031 16.733 ( 27.121 24.739 0.000) 36.709 16.811 ( 18.705 19.615 0.000) 27.104 17.054 ( 17.999 2.514 0.000) 18.174 17.105 ( 15.211 -3.283 0.000) 15.561 17.314 ( 23.329 14.678 0.000) 27.562 17.334 ( 16.817 14.965 0.000) 22.511 17.472 ( 23.639 22.361 0.000) 32.539 17.478 ( 19.542 17.903 0.000) 26.503 17.709 ( 25.240 -17.631 0.000) 30.789 17.724 ( 32.225 -19.075 0.000) 37.447 17.824 ( 19.636 -10.706 0.000) 22.365 17.856 ( 21.061 -10.711 0.000) 23.628 20.221 ( -27.743 23.294 0.000) 36.226 20.281 ( -28.940 26.173 0.000) 39.020 20.899 ( -29.763 -36.623 0.000) 47.192 20.976 ( -27.424 -30.822 0.000) 41.256 21.138 ( -10.542 8.116 0.000) 13.305 21.173 ( -9.374 10.616 0.000) 14.162 21.614 ( -10.430 -14.442 0.000) 17.814 21.635 ( -13.144 -23.619 0.000) 27.030 21.743 ( -4.369 -7.895 0.000) 9.024 21.837 ( -4.824 -0.241 0.000) 4.830 22.065 ( -6.791 -24.701 0.000) 25.618 22.169 ( -8.636 -24.496 0.000) 25.974 ======================= Grid point 40 (25/50) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 7.439 0.655 0.000) 7.467 2.200 ( 6.077 -1.897 0.000) 6.366 2.441 ( -17.632 -0.933 0.000) 17.657 2.455 ( -16.091 -1.752 0.000) 16.186 2.821 ( -1.749 8.123 0.000) 8.309 2.873 ( -7.393 9.738 0.000) 12.227 2.931 ( 3.223 -0.027 0.000) 3.223 3.037 ( -6.113 -3.947 0.000) 7.277 3.258 ( -2.824 -4.767 0.000) 5.541 3.284 ( -7.407 2.238 0.000) 7.737 3.298 ( -1.321 -7.324 0.000) 7.442 3.439 ( -13.088 -12.082 0.000) 17.812 3.882 ( 1.710 4.081 0.000) 4.424 3.977 ( -9.204 4.750 0.000) 10.357 4.001 ( 1.201 -6.443 0.000) 6.554 4.113 ( -9.215 -6.987 0.000) 11.564 4.162 ( -0.116 5.911 0.000) 5.913 4.210 ( -3.896 3.311 0.000) 5.113 4.269 ( 1.719 -4.112 0.000) 4.456 4.272 ( 0.981 -1.658 0.000) 1.926 4.358 ( 0.777 5.218 0.000) 5.275 4.408 ( -3.957 4.425 0.000) 5.936 4.515 ( -0.874 -5.971 0.000) 6.035 4.521 ( 0.350 -8.327 0.000) 8.335 4.644 ( -2.538 3.503 0.000) 4.326 4.656 ( -3.193 2.107 0.000) 3.825 4.672 ( -1.742 0.096 0.000) 1.744 4.719 ( -5.266 -3.323 0.000) 6.227 4.890 ( 4.020 8.268 0.000) 9.193 4.899 ( 1.868 3.252 0.000) 3.751 4.929 ( -0.997 0.881 0.000) 1.331 4.967 ( -3.519 0.797 0.000) 3.608 5.032 ( 3.660 1.892 0.000) 4.120 5.137 ( 8.002 -6.827 0.000) 10.519 5.155 ( -1.325 4.963 0.000) 5.137 5.241 ( -2.516 -1.909 0.000) 3.158 5.366 ( 2.205 1.531 0.000) 2.684 5.411 ( 0.483 -3.571 0.000) 3.603 5.446 ( -6.423 -0.405 0.000) 6.436 5.498 ( -7.755 -6.155 0.000) 9.901 5.706 ( 0.486 3.481 0.000) 3.515 5.725 ( -1.069 2.333 0.000) 2.566 5.754 ( 0.425 -0.653 0.000) 0.779 5.757 ( 0.841 -1.385 0.000) 1.620 5.952 ( 2.974 4.129 0.000) 5.089 6.020 ( 2.327 -1.333 0.000) 2.682 6.039 ( -5.074 4.131 0.000) 6.543 6.069 ( -2.749 2.041 0.000) 3.424 6.335 ( 1.373 7.856 0.000) 7.975 6.399 ( -3.195 6.878 0.000) 7.584 6.455 ( 0.094 -2.985 0.000) 2.987 6.480 ( 0.486 -0.667 0.000) 0.825 6.569 ( 1.928 11.174 0.000) 11.339 6.648 ( -1.348 13.522 0.000) 13.589 6.722 ( 5.426 8.126 0.000) 9.771 6.792 ( -2.863 15.905 0.000) 16.160 6.808 ( 5.390 -4.457 0.000) 6.994 6.860 ( 1.484 -4.514 0.000) 4.752 6.917 ( 7.122 -0.850 0.000) 7.172 6.965 ( 3.431 7.455 0.000) 8.207 6.998 ( 4.554 4.744 0.000) 6.576 7.048 ( 4.059 -5.794 0.000) 7.075 7.106 ( -0.300 -3.601 0.000) 3.613 7.110 ( -3.396 -6.327 0.000) 7.181 7.288 ( 0.697 -1.279 0.000) 1.456 7.319 ( 4.901 -3.751 0.000) 6.171 7.320 ( -2.839 4.495 0.000) 5.317 7.424 ( -3.036 -4.514 0.000) 5.440 7.489 ( 6.163 10.147 0.000) 11.872 7.632 ( 6.297 -3.105 0.000) 7.021 7.632 ( -6.026 8.466 0.000) 10.391 7.729 ( -3.434 1.723 0.000) 3.841 7.780 ( -0.125 0.559 0.000) 0.573 7.827 ( 5.387 -1.765 0.000) 5.669 7.831 ( -1.782 5.333 0.000) 5.623 7.869 ( 2.856 1.306 0.000) 3.140 7.925 ( 0.815 7.257 0.000) 7.303 7.945 ( 2.656 3.414 0.000) 4.325 8.016 ( 2.672 -2.942 0.000) 3.975 8.098 ( -5.792 -5.457 0.000) 7.958 8.203 ( -0.958 6.690 0.000) 6.758 8.223 ( -4.066 7.444 0.000) 8.482 8.255 ( 4.222 2.301 0.000) 4.808 8.366 ( -1.631 -2.254 0.000) 2.783 8.388 ( 1.149 7.969 0.000) 8.052 8.439 ( -5.710 2.920 0.000) 6.413 8.491 ( 2.868 -0.616 0.000) 2.933 8.521 ( 0.088 -4.351 0.000) 4.352 8.678 ( 10.075 3.178 0.000) 10.564 8.713 ( 5.570 4.062 0.000) 6.894 8.745 ( 2.291 -4.451 0.000) 5.005 8.801 ( -1.342 -5.057 0.000) 5.232 8.869 ( 5.137 -0.094 0.000) 5.138 8.958 ( 5.919 -6.587 0.000) 8.856 8.962 ( 2.124 2.418 0.000) 3.218 9.029 ( -1.274 -2.028 0.000) 2.395 9.153 ( 5.001 2.142 0.000) 5.440 9.157 ( 2.803 -1.348 0.000) 3.110 9.203 ( 3.779 -3.163 0.000) 4.928 9.226 ( 1.446 -4.334 0.000) 4.569 9.554 ( 2.520 3.553 0.000) 4.356 9.613 ( -3.021 3.187 0.000) 4.391 9.651 ( -1.969 -5.853 0.000) 6.176 9.696 ( -3.689 -4.535 0.000) 5.846 9.873 ( 4.330 4.666 0.000) 6.366 9.911 ( -0.326 2.112 0.000) 2.137 9.930 ( 1.492 1.097 0.000) 1.852 9.933 ( 6.164 1.995 0.000) 6.479 10.005 ( -3.949 11.264 0.000) 11.936 10.007 ( -0.164 2.841 0.000) 2.846 10.084 ( -5.813 -1.953 0.000) 6.132 10.199 ( -8.992 -4.830 0.000) 10.207 10.205 ( 0.734 0.813 0.000) 1.095 10.214 ( 4.163 2.708 0.000) 4.966 10.267 ( -3.353 -1.834 0.000) 3.822 10.299 ( -2.348 -1.913 0.000) 3.028 10.465 ( 4.504 8.230 0.000) 9.382 10.536 ( -2.212 4.336 0.000) 4.868 10.563 ( 3.769 0.596 0.000) 3.816 10.605 ( 4.065 0.559 0.000) 4.103 10.719 ( -0.538 6.160 0.000) 6.184 10.727 ( -0.259 4.183 0.000) 4.191 10.746 ( -1.641 3.004 0.000) 3.423 10.753 ( 0.892 -0.164 0.000) 0.907 10.869 ( -4.562 -3.418 0.000) 5.700 10.892 ( -8.492 -5.437 0.000) 10.083 10.927 ( -6.427 -8.266 0.000) 10.470 10.966 ( -10.453 -11.767 0.000) 15.739 11.224 ( 2.918 6.446 0.000) 7.076 11.239 ( 7.809 1.328 0.000) 7.921 11.256 ( 0.397 -0.998 0.000) 1.074 11.356 ( -3.197 -1.642 0.000) 3.594 11.366 ( 1.642 2.205 0.000) 2.749 11.366 ( 1.213 3.993 0.000) 4.174 11.455 ( -5.962 -4.132 0.000) 7.254 11.480 ( -7.815 -3.796 0.000) 8.689 11.602 ( 6.804 5.270 0.000) 8.606 11.614 ( 5.591 4.539 0.000) 7.202 11.671 ( 2.786 -0.891 0.000) 2.925 11.677 ( 2.550 -0.997 0.000) 2.738 12.051 ( 1.553 1.224 0.000) 1.978 12.075 ( 1.087 0.486 0.000) 1.191 12.150 ( -6.617 -6.477 0.000) 9.259 12.153 ( -5.464 -8.360 0.000) 9.987 12.782 ( 10.358 5.252 0.000) 11.614 12.916 ( 8.460 -6.362 0.000) 10.585 12.943 ( -4.517 2.834 0.000) 5.332 12.946 ( 9.329 5.535 0.000) 10.847 13.030 ( -2.193 -5.140 0.000) 5.588 13.111 ( -7.082 3.131 0.000) 7.743 13.125 ( 6.438 -10.326 0.000) 12.168 13.230 ( -4.035 -7.391 0.000) 8.421 13.454 ( 12.067 13.636 0.000) 18.209 13.583 ( 6.911 7.318 0.000) 10.065 13.631 ( -2.469 6.903 0.000) 7.331 13.648 ( 2.941 -1.201 0.000) 3.177 13.883 ( 4.079 1.617 0.000) 4.388 13.891 ( 7.649 -2.709 0.000) 8.114 13.991 ( -3.400 -8.087 0.000) 8.773 14.057 ( -5.239 -10.499 0.000) 11.734 14.443 ( 3.745 0.539 0.000) 3.784 14.457 ( 1.179 0.559 0.000) 1.305 14.491 ( 2.998 -1.416 0.000) 3.315 14.513 ( 0.131 -4.009 0.000) 4.012 14.588 ( 6.481 -3.270 0.000) 7.260 14.659 ( 1.027 0.509 0.000) 1.146 14.673 ( 6.594 -8.021 0.000) 10.383 14.751 ( -0.682 -5.815 0.000) 5.855 14.760 ( 3.602 0.686 0.000) 3.667 14.798 ( 0.236 1.914 0.000) 1.928 14.818 ( 4.398 -3.743 0.000) 5.775 14.888 ( -2.293 -5.260 0.000) 5.738 15.446 ( 12.001 11.971 0.000) 16.951 15.634 ( -5.548 15.332 0.000) 16.305 15.639 ( 9.779 7.873 0.000) 12.554 15.733 ( 14.276 -13.374 0.000) 19.562 15.789 ( -3.865 14.111 0.000) 14.631 15.863 ( 14.369 -11.558 0.000) 18.440 15.987 ( -9.314 -17.855 0.000) 20.138 16.114 ( -9.036 -16.302 0.000) 18.639 17.175 ( 14.206 18.990 0.000) 23.716 17.183 ( 13.205 18.556 0.000) 22.775 17.291 ( 3.537 9.095 0.000) 9.759 17.303 ( 2.403 7.738 0.000) 8.103 17.791 ( 24.185 25.367 0.000) 35.048 17.860 ( 23.855 24.886 0.000) 34.473 17.893 ( 17.693 20.949 0.000) 27.421 17.913 ( 15.739 21.671 0.000) 26.784 18.089 ( 6.542 4.566 0.000) 7.978 18.108 ( 5.848 7.774 0.000) 9.728 18.210 ( 8.836 1.300 0.000) 8.931 18.221 ( 3.217 6.144 0.000) 6.935 19.887 ( -2.204 -3.180 0.000) 3.869 19.899 ( 3.753 -10.570 0.000) 11.216 20.254 ( -29.931 -36.534 0.000) 47.229 20.344 ( -30.817 -38.141 0.000) 49.035 21.069 ( 4.153 -4.518 0.000) 6.136 21.104 ( 3.931 -7.584 0.000) 8.542 21.294 ( -15.712 -23.438 0.000) 28.217 21.322 ( -15.035 -25.431 0.000) 29.543 21.795 ( 6.296 -5.109 0.000) 8.108 21.814 ( 2.266 -3.443 0.000) 4.122 21.917 ( -6.764 -16.017 0.000) 17.387 21.971 ( -9.772 -17.467 0.000) 20.014 ======================= Grid point 81 (26/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 0.000 -42.882) 42.882 0.891 ( 0.000 0.000 42.882) 42.882 0.904 ( 0.000 0.000 -43.764) 43.764 0.904 ( 0.000 0.000 43.764) 43.764 1.253 ( 0.000 0.000 -73.339) 73.339 1.253 ( 0.000 0.000 73.339) 73.339 2.006 ( 0.000 0.000 -8.030) 8.030 2.006 ( 0.000 0.000 8.030) 8.030 2.217 ( 0.000 0.000 -11.642) 11.642 2.217 ( 0.000 0.000 11.642) 11.642 2.635 ( 0.000 0.000 -13.452) 13.452 2.635 ( 0.000 0.000 13.452) 13.452 2.651 ( 0.000 0.000 -5.193) 5.193 2.651 ( 0.000 0.000 5.193) 5.193 3.412 ( 0.000 0.000 -3.943) 3.943 3.412 ( 0.000 0.000 3.943) 3.943 3.748 ( 0.000 0.000 -10.695) 10.695 3.748 ( 0.000 0.000 10.695) 10.695 4.039 ( 0.000 0.000 -5.643) 5.643 4.039 ( 0.000 0.000 5.643) 5.643 4.126 ( 0.000 0.000 -3.041) 3.041 4.126 ( 0.000 0.000 3.041) 3.041 4.377 ( 0.000 0.000 -34.283) 34.283 4.377 ( 0.000 0.000 34.283) 34.283 4.392 ( 0.000 0.000 -2.774) 2.774 4.392 ( 0.000 0.000 2.774) 2.774 4.503 ( 0.000 0.000 -21.235) 21.235 4.503 ( 0.000 0.000 21.235) 21.235 4.665 ( 0.000 0.000 -0.905) 0.905 4.665 ( 0.000 0.000 0.905) 0.905 4.830 ( 0.000 0.000 -1.928) 1.928 4.830 ( 0.000 0.000 1.928) 1.928 4.864 ( 0.000 0.000 -7.263) 7.263 4.864 ( 0.000 0.000 7.263) 7.263 5.022 ( 0.000 0.000 -2.083) 2.083 5.022 ( 0.000 0.000 2.083) 2.083 5.098 ( 0.000 0.000 -4.295) 4.295 5.098 ( 0.000 0.000 4.295) 4.295 5.107 ( 0.000 0.000 -8.023) 8.023 5.107 ( 0.000 0.000 8.023) 8.023 5.286 ( 0.000 0.000 -1.689) 1.689 5.286 ( 0.000 0.000 1.689) 1.689 5.355 ( 0.000 0.000 -5.329) 5.329 5.355 ( 0.000 0.000 5.329) 5.329 5.384 ( 0.000 0.000 -4.790) 4.790 5.384 ( 0.000 0.000 4.790) 4.790 5.595 ( 0.000 0.000 -5.357) 5.357 5.595 ( 0.000 0.000 5.357) 5.357 5.624 ( 0.000 0.000 -0.446) 0.446 5.624 ( 0.000 0.000 0.446) 0.446 5.658 ( 0.000 0.000 -3.019) 3.019 5.658 ( 0.000 0.000 3.019) 3.019 5.712 ( 0.000 0.000 -1.643) 1.643 5.712 ( 0.000 0.000 1.643) 1.643 5.924 ( 0.000 0.000 -0.843) 0.843 5.924 ( 0.000 0.000 0.843) 0.843 6.053 ( 0.000 0.000 -8.989) 8.989 6.053 ( 0.000 0.000 8.989) 8.989 6.203 ( 0.000 0.000 -9.334) 9.334 6.203 ( 0.000 0.000 9.334) 9.334 6.438 ( 0.000 0.000 -4.479) 4.479 6.438 ( 0.000 0.000 4.479) 4.479 6.448 ( 0.000 0.000 -5.050) 5.050 6.448 ( 0.000 0.000 5.050) 5.050 6.477 ( 0.000 0.000 -7.778) 7.778 6.477 ( 0.000 0.000 7.778) 7.778 6.641 ( 0.000 0.000 -9.561) 9.561 6.641 ( 0.000 0.000 9.561) 9.561 6.718 ( 0.000 0.000 -2.723) 2.723 6.718 ( 0.000 0.000 2.723) 2.723 6.853 ( 0.000 0.000 -0.937) 0.937 6.853 ( 0.000 0.000 0.937) 0.937 6.977 ( 0.000 0.000 -4.016) 4.016 6.977 ( 0.000 0.000 4.016) 4.016 7.015 ( 0.000 0.000 -2.014) 2.014 7.015 ( 0.000 0.000 2.014) 2.014 7.155 ( 0.000 0.000 -4.800) 4.800 7.155 ( 0.000 0.000 4.800) 4.800 7.250 ( 0.000 0.000 -4.898) 4.898 7.250 ( 0.000 0.000 4.898) 4.898 7.251 ( 0.000 0.000 -2.664) 2.664 7.251 ( 0.000 0.000 2.664) 2.664 7.544 ( 0.000 0.000 -1.232) 1.232 7.544 ( 0.000 0.000 1.232) 1.232 7.592 ( 0.000 0.000 -11.416) 11.416 7.592 ( 0.000 0.000 11.416) 11.416 7.740 ( 0.000 0.000 -6.047) 6.047 7.740 ( 0.000 0.000 6.047) 6.047 8.023 ( 0.000 0.000 -7.574) 7.574 8.023 ( 0.000 0.000 7.574) 7.574 8.076 ( 0.000 0.000 -11.738) 11.738 8.076 ( 0.000 0.000 11.738) 11.738 8.147 ( 0.000 0.000 -1.347) 1.347 8.147 ( 0.000 0.000 1.347) 1.347 8.232 ( 0.000 0.000 -1.652) 1.652 8.232 ( 0.000 0.000 1.652) 1.652 8.599 ( 0.000 0.000 -8.848) 8.848 8.599 ( 0.000 0.000 8.848) 8.848 8.710 ( 0.000 0.000 -5.329) 5.329 8.710 ( 0.000 0.000 5.329) 5.329 8.929 ( 0.000 0.000 -0.128) 0.128 8.929 ( 0.000 0.000 0.128) 0.128 9.033 ( 0.000 0.000 -1.286) 1.286 9.033 ( 0.000 0.000 1.286) 1.286 9.145 ( 0.000 0.000 -2.344) 2.344 9.145 ( 0.000 0.000 2.344) 2.344 9.154 ( 0.000 0.000 -7.425) 7.425 9.154 ( 0.000 0.000 7.425) 7.425 9.390 ( 0.000 0.000 -3.159) 3.159 9.390 ( 0.000 0.000 3.159) 3.159 9.481 ( 0.000 0.000 -9.422) 9.422 9.481 ( 0.000 0.000 9.422) 9.422 9.603 ( 0.000 0.000 -1.805) 1.805 9.603 ( 0.000 0.000 1.805) 1.805 9.786 ( 0.000 0.000 -10.775) 10.775 9.786 ( 0.000 0.000 10.775) 10.775 9.949 ( 0.000 0.000 -10.762) 10.762 9.949 ( 0.000 0.000 10.762) 10.762 9.966 ( 0.000 0.000 -1.646) 1.646 9.966 ( 0.000 0.000 1.646) 1.646 10.052 ( 0.000 0.000 -5.317) 5.317 10.052 ( 0.000 0.000 5.317) 5.317 10.454 ( 0.000 0.000 -4.960) 4.960 10.454 ( 0.000 0.000 4.960) 4.960 10.949 ( 0.000 0.000 -0.069) 0.069 10.949 ( 0.000 0.000 0.069) 0.069 11.334 ( 0.000 0.000 -3.604) 3.604 11.334 ( 0.000 0.000 3.604) 3.604 11.339 ( 0.000 0.000 -3.823) 3.823 11.339 ( 0.000 0.000 3.823) 3.823 11.832 ( 0.000 0.000 -0.823) 0.823 11.832 ( 0.000 0.000 0.823) 0.823 12.078 ( 0.000 0.000 -2.174) 2.174 12.078 ( 0.000 0.000 2.174) 2.174 12.266 ( 0.000 0.000 -3.252) 3.252 12.266 ( 0.000 0.000 3.252) 3.252 12.636 ( 0.000 0.000 -3.754) 3.754 12.636 ( 0.000 0.000 3.754) 3.754 12.925 ( 0.000 0.000 -3.819) 3.819 12.925 ( 0.000 0.000 3.819) 3.819 13.112 ( 0.000 0.000 -5.849) 5.849 13.112 ( 0.000 0.000 5.849) 5.849 13.192 ( 0.000 0.000 -3.712) 3.712 13.192 ( 0.000 0.000 3.712) 3.712 13.374 ( 0.000 0.000 -0.100) 0.100 13.374 ( 0.000 0.000 0.100) 0.100 13.648 ( 0.000 0.000 -7.036) 7.036 13.648 ( 0.000 0.000 7.036) 7.036 13.683 ( 0.000 0.000 -2.361) 2.361 13.683 ( 0.000 0.000 2.361) 2.361 13.741 ( 0.000 0.000 -10.432) 10.432 13.741 ( 0.000 0.000 10.432) 10.432 13.851 ( 0.000 0.000 -3.141) 3.141 13.851 ( 0.000 0.000 3.141) 3.141 13.852 ( 0.000 0.000 -9.351) 9.351 13.852 ( 0.000 0.000 9.351) 9.351 14.115 ( 0.000 0.000 -2.520) 2.520 14.115 ( 0.000 0.000 2.520) 2.520 14.170 ( 0.000 0.000 -7.412) 7.412 14.170 ( 0.000 0.000 7.412) 7.412 14.350 ( 0.000 0.000 -2.286) 2.286 14.350 ( 0.000 0.000 2.286) 2.286 14.471 ( 0.000 0.000 -3.721) 3.721 14.471 ( 0.000 0.000 3.721) 3.721 14.493 ( 0.000 0.000 -1.175) 1.175 14.493 ( 0.000 0.000 1.175) 1.175 14.669 ( 0.000 0.000 -1.076) 1.076 14.669 ( 0.000 0.000 1.076) 1.076 14.963 ( 0.000 0.000 -0.630) 0.630 14.963 ( 0.000 0.000 0.630) 0.630 15.240 ( 0.000 0.000 -0.568) 0.568 15.240 ( 0.000 0.000 0.568) 0.568 15.276 ( 0.000 0.000 -7.050) 7.050 15.276 ( 0.000 0.000 7.050) 7.050 15.342 ( 0.000 0.000 -0.989) 0.989 15.342 ( 0.000 0.000 0.989) 0.989 15.516 ( 0.000 0.000 -0.670) 0.670 15.516 ( 0.000 0.000 0.670) 0.670 15.560 ( 0.000 0.000 -3.129) 3.129 15.560 ( 0.000 0.000 3.129) 3.129 15.656 ( 0.000 0.000 -17.321) 17.321 15.656 ( 0.000 0.000 17.321) 17.321 15.876 ( 0.000 0.000 -3.541) 3.541 15.876 ( 0.000 0.000 3.541) 3.541 16.001 ( 0.000 0.000 -1.454) 1.454 16.001 ( 0.000 0.000 1.454) 1.454 16.405 ( 0.000 0.000 -0.160) 0.160 16.405 ( 0.000 0.000 0.160) 0.160 16.496 ( 0.000 0.000 -2.081) 2.081 16.496 ( 0.000 0.000 2.081) 2.081 19.416 ( 0.000 0.000 -18.775) 18.775 19.416 ( 0.000 0.000 18.775) 18.775 21.113 ( 0.000 0.000 -31.541) 31.541 21.113 ( 0.000 0.000 31.541) 31.541 22.180 ( 0.000 0.000 -21.394) 21.394 22.180 ( 0.000 0.000 21.394) 21.394 22.603 ( 0.000 0.000 -23.728) 23.728 22.603 ( 0.000 0.000 23.728) 23.728 23.060 ( 0.000 0.000 -0.256) 0.256 23.060 ( 0.000 0.000 0.256) 0.256 23.550 ( 0.000 0.000 -0.199) 0.199 23.550 ( 0.000 0.000 0.199) 0.199 23.746 ( 0.000 0.000 -0.269) 0.269 23.746 ( 0.000 0.000 0.269) 0.269 ======================= Grid point 83 (27/50) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 26.362 0.000 -22.074) 34.383 0.987 ( 26.362 0.000 22.074) 34.383 1.320 ( 33.710 0.000 -28.453) 44.113 1.320 ( 33.710 0.000 28.453) 44.113 2.205 ( 52.409 0.000 -26.165) 58.577 2.205 ( 52.409 0.000 26.165) 58.577 2.412 ( 21.750 0.000 -6.379) 22.666 2.412 ( 21.750 0.000 6.379) 22.666 2.501 ( 20.349 0.000 -8.465) 22.040 2.501 ( 20.349 0.000 8.465) 22.040 2.976 ( 29.466 0.000 -6.369) 30.146 2.976 ( 29.466 0.000 6.369) 30.146 3.224 ( 23.307 0.000 -7.366) 24.443 3.224 ( 23.307 0.000 7.366) 24.443 3.680 ( 6.850 0.000 -10.948) 12.914 3.680 ( 6.850 0.000 10.948) 12.914 3.840 ( 7.135 0.000 -6.733) 9.810 3.840 ( 7.135 0.000 6.733) 9.810 4.220 ( 2.442 0.000 -6.468) 6.914 4.220 ( 2.442 0.000 6.468) 6.914 4.272 ( 2.877 0.000 -10.580) 10.965 4.272 ( 2.877 0.000 10.580) 10.965 4.455 ( 7.818 0.000 -8.979) 11.906 4.455 ( 7.818 0.000 8.979) 11.906 4.601 ( 5.839 0.000 -18.636) 19.529 4.601 ( 5.839 0.000 18.636) 19.529 4.627 ( 3.217 0.000 -1.238) 3.447 4.627 ( 3.217 0.000 1.238) 3.447 4.653 ( -1.621 0.000 -8.475) 8.628 4.653 ( -1.621 0.000 8.475) 8.628 4.879 ( -4.455 0.000 -8.597) 9.683 4.879 ( -4.455 0.000 8.597) 9.683 4.926 ( -6.244 0.000 -1.518) 6.426 4.926 ( -6.244 0.000 1.518) 6.426 4.986 ( 3.997 0.000 -14.568) 15.107 4.986 ( 3.997 0.000 14.568) 15.107 5.142 ( 10.805 0.000 -6.129) 12.423 5.142 ( 10.805 0.000 6.129) 12.423 5.290 ( 0.374 0.000 -3.342) 3.363 5.290 ( 0.374 0.000 3.342) 3.363 5.377 ( 4.377 0.000 -0.462) 4.401 5.377 ( 4.377 0.000 0.462) 4.401 5.452 ( 5.534 0.000 -5.064) 7.501 5.452 ( 5.534 0.000 5.064) 7.501 5.566 ( -1.983 0.000 -6.774) 7.059 5.566 ( -1.983 0.000 6.774) 7.059 5.621 ( 16.534 0.000 -3.609) 16.923 5.621 ( 16.534 0.000 3.609) 16.923 5.685 ( 3.539 0.000 -2.089) 4.110 5.685 ( 3.539 0.000 2.089) 4.110 5.820 ( 8.014 0.000 -4.244) 9.069 5.820 ( 8.014 0.000 4.244) 9.069 5.948 ( 9.886 0.000 -4.893) 11.030 5.948 ( 9.886 0.000 4.893) 11.030 6.000 ( 3.626 0.000 -3.488) 5.031 6.000 ( 3.626 0.000 3.488) 5.031 6.130 ( 8.750 0.000 -6.755) 11.054 6.130 ( 8.750 0.000 6.755) 11.054 6.283 ( -0.232 0.000 -7.113) 7.117 6.283 ( -0.232 0.000 7.113) 7.117 6.402 ( 3.800 0.000 -5.594) 6.762 6.402 ( 3.800 0.000 5.594) 6.762 6.511 ( 6.241 0.000 -1.426) 6.401 6.511 ( 6.241 0.000 1.426) 6.401 6.649 ( 14.725 0.000 -0.042) 14.725 6.649 ( 14.725 0.000 0.042) 14.725 6.734 ( -4.692 0.000 -4.158) 6.269 6.734 ( -4.692 0.000 4.158) 6.269 6.787 ( 10.277 0.000 -2.549) 10.589 6.787 ( 10.277 0.000 2.549) 10.589 6.816 ( 2.229 0.000 -8.366) 8.658 6.816 ( 2.229 0.000 8.366) 8.658 7.039 ( -4.977 0.000 -2.620) 5.625 7.039 ( -4.977 0.000 2.620) 5.625 7.101 ( 8.476 0.000 -3.456) 9.153 7.101 ( 8.476 0.000 3.456) 9.153 7.197 ( 14.785 0.000 -0.021) 14.785 7.197 ( 14.785 0.000 0.021) 14.785 7.292 ( 12.106 0.000 -6.907) 13.938 7.292 ( 12.106 0.000 6.907) 13.938 7.424 ( 16.867 0.000 -8.827) 19.037 7.424 ( 16.867 0.000 8.827) 19.037 7.579 ( 5.162 0.000 -2.207) 5.614 7.579 ( 5.162 0.000 2.207) 5.614 7.720 ( 14.311 0.000 -6.217) 15.603 7.720 ( 14.311 0.000 6.217) 15.603 7.822 ( 5.735 0.000 -3.281) 6.607 7.822 ( 5.735 0.000 3.281) 6.607 8.035 ( 1.316 0.000 -7.230) 7.349 8.035 ( 1.316 0.000 7.230) 7.349 8.100 ( -0.693 0.000 -5.545) 5.588 8.100 ( -0.693 0.000 5.545) 5.588 8.248 ( 6.918 0.000 -0.877) 6.973 8.248 ( 6.918 0.000 0.877) 6.973 8.367 ( 11.827 0.000 -1.210) 11.889 8.367 ( 11.827 0.000 1.210) 11.889 8.544 ( -5.681 0.000 -1.361) 5.842 8.544 ( -5.681 0.000 1.361) 5.842 8.734 ( -14.034 0.000 -3.937) 14.576 8.734 ( -14.034 0.000 3.937) 14.576 8.967 ( 24.182 0.000 -16.003) 28.998 8.967 ( 24.182 0.000 16.003) 28.998 9.078 ( 3.664 0.000 -2.186) 4.267 9.078 ( 3.664 0.000 2.186) 4.267 9.178 ( 6.248 0.000 -1.391) 6.401 9.178 ( 6.248 0.000 1.391) 6.401 9.289 ( 9.516 0.000 -5.138) 10.815 9.289 ( 9.516 0.000 5.138) 10.815 9.469 ( 8.217 0.000 -1.084) 8.288 9.469 ( 8.217 0.000 1.084) 8.288 9.602 ( 5.316 0.000 -2.555) 5.899 9.602 ( 5.316 0.000 2.555) 5.899 9.678 ( 9.765 0.000 -2.582) 10.101 9.678 ( 9.765 0.000 2.582) 10.101 9.835 ( 5.451 0.000 -8.714) 10.278 9.835 ( 5.451 0.000 8.714) 10.278 9.979 ( -0.955 0.000 -4.210) 4.317 9.979 ( -0.955 0.000 4.210) 4.317 10.040 ( 3.976 0.000 -3.786) 5.490 10.040 ( 3.976 0.000 3.786) 5.490 10.100 ( 13.860 0.000 -11.276) 17.868 10.100 ( 13.860 0.000 11.276) 17.868 10.542 ( 8.113 0.000 -7.587) 11.108 10.542 ( 8.113 0.000 7.587) 11.108 11.001 ( 1.465 0.000 -2.222) 2.662 11.001 ( 1.465 0.000 2.222) 2.662 11.265 ( -3.080 0.000 -5.210) 6.052 11.265 ( -3.080 0.000 5.210) 6.052 11.280 ( -5.037 0.000 -3.673) 6.234 11.280 ( -5.037 0.000 3.673) 6.234 11.722 ( -4.624 0.000 -14.012) 14.755 11.722 ( -4.624 0.000 14.012) 14.755 12.072 ( -7.861 0.000 -7.942) 11.175 12.072 ( -7.861 0.000 7.942) 11.175 12.199 ( -7.216 0.000 -4.266) 8.382 12.199 ( -7.216 0.000 4.266) 8.382 12.520 ( -10.237 0.000 -4.815) 11.313 12.520 ( -10.237 0.000 4.815) 11.313 12.818 ( -10.462 0.000 -2.809) 10.833 12.818 ( -10.462 0.000 2.809) 10.833 12.958 ( -12.647 0.000 -5.039) 13.613 12.958 ( -12.647 0.000 5.039) 13.613 13.102 ( -9.627 0.000 -5.010) 10.853 13.102 ( -9.627 0.000 5.010) 10.853 13.390 ( -5.586 0.000 -4.300) 7.049 13.390 ( -5.586 0.000 4.300) 7.049 13.460 ( -9.735 0.000 -2.846) 10.143 13.460 ( -9.735 0.000 2.846) 10.143 13.537 ( -15.128 0.000 -3.457) 15.518 13.537 ( -15.128 0.000 3.457) 15.518 13.662 ( -5.625 0.000 -1.948) 5.953 13.662 ( -5.625 0.000 1.948) 5.953 13.777 ( -9.154 0.000 -1.875) 9.344 13.777 ( -9.154 0.000 1.875) 9.344 13.970 ( 6.329 0.000 -11.927) 13.502 13.970 ( 6.329 0.000 11.927) 13.502 14.023 ( 2.513 0.000 -16.085) 16.280 14.023 ( 2.513 0.000 16.085) 16.280 14.179 ( 5.776 0.000 -10.082) 11.619 14.179 ( 5.776 0.000 10.082) 11.619 14.483 ( 0.947 0.000 -1.440) 1.723 14.483 ( 0.947 0.000 1.440) 1.723 14.560 ( 6.895 0.000 -0.588) 6.920 14.560 ( 6.895 0.000 0.588) 6.920 14.616 ( 10.679 0.000 -5.683) 12.097 14.616 ( 10.679 0.000 5.683) 12.097 14.807 ( 10.729 0.000 -6.211) 12.397 14.807 ( 10.729 0.000 6.211) 12.397 14.988 ( 2.445 0.000 -0.689) 2.540 14.988 ( 2.445 0.000 0.689) 2.540 15.235 ( -1.564 0.000 -2.333) 2.809 15.235 ( -1.564 0.000 2.333) 2.809 15.292 ( 1.140 0.000 -6.013) 6.120 15.292 ( 1.140 0.000 6.013) 6.120 15.350 ( 1.267 0.000 -1.138) 1.703 15.350 ( 1.267 0.000 1.138) 1.703 15.535 ( 0.629 0.000 -0.184) 0.655 15.535 ( 0.629 0.000 0.184) 0.655 15.568 ( 0.097 0.000 -0.656) 0.663 15.568 ( 0.097 0.000 0.656) 0.663 15.591 ( -5.833 0.000 -6.168) 8.489 15.591 ( -5.833 0.000 6.168) 8.489 15.717 ( -6.884 0.000 -0.381) 6.894 15.717 ( -6.884 0.000 0.381) 6.894 15.871 ( -0.637 0.000 -1.526) 1.654 15.871 ( -0.637 0.000 1.526) 1.654 16.397 ( -0.982 0.000 -0.076) 0.985 16.397 ( -0.982 0.000 0.076) 0.985 16.521 ( 2.365 0.000 -1.641) 2.878 16.521 ( 2.365 0.000 1.641) 2.878 19.243 ( -16.676 0.000 -15.754) 22.941 19.243 ( -16.676 0.000 15.754) 22.941 21.421 ( 18.556 0.000 -34.736) 39.381 21.421 ( 18.556 0.000 34.736) 39.381 22.247 ( -2.225 0.000 -9.638) 9.891 22.247 ( -2.225 0.000 9.638) 9.891 22.435 ( 1.981 0.000 -12.690) 12.844 22.435 ( 1.981 0.000 12.690) 12.844 23.078 ( 1.383 0.000 -0.820) 1.607 23.078 ( 1.383 0.000 0.820) 1.607 23.583 ( 2.437 0.000 -0.813) 2.569 23.583 ( 2.437 0.000 0.813) 2.569 23.771 ( 1.845 0.000 -0.487) 1.908 23.771 ( 1.845 0.000 0.487) 1.908 ======================= Grid point 85 (28/50) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 28.215 0.000 -6.639) 28.985 1.620 ( 28.215 0.000 6.639) 28.985 2.084 ( 37.018 0.000 -17.216) 40.826 2.084 ( 37.018 0.000 17.216) 40.826 2.689 ( 16.301 0.000 -8.141) 18.221 2.689 ( 16.301 0.000 8.141) 18.221 2.911 ( 17.745 0.000 -12.487) 21.698 2.911 ( 17.745 0.000 12.487) 21.698 3.176 ( 19.668 0.000 -35.998) 41.020 3.176 ( 19.668 0.000 35.998) 41.020 3.447 ( 9.482 0.000 -3.047) 9.959 3.447 ( 9.482 0.000 3.047) 9.959 3.655 ( 12.247 0.000 -1.798) 12.378 3.655 ( 12.247 0.000 1.798) 12.378 3.912 ( 18.631 0.000 -8.329) 20.408 3.912 ( 18.631 0.000 8.329) 20.408 4.001 ( 2.683 0.000 -5.890) 6.472 4.001 ( 2.683 0.000 5.890) 6.472 4.168 ( -2.197 0.000 -2.960) 3.687 4.168 ( -2.197 0.000 2.960) 3.687 4.218 ( -2.354 0.000 -9.664) 9.946 4.218 ( -2.354 0.000 9.664) 9.946 4.398 ( -14.168 0.000 -2.547) 14.395 4.398 ( -14.168 0.000 2.547) 14.395 4.463 ( -8.161 0.000 -2.472) 8.527 4.463 ( -8.161 0.000 2.472) 8.527 4.629 ( -5.482 0.000 -1.555) 5.698 4.629 ( -5.482 0.000 1.555) 5.698 4.706 ( 0.163 0.000 -9.785) 9.787 4.706 ( 0.163 0.000 9.785) 9.787 4.798 ( -2.471 0.000 -11.232) 11.501 4.798 ( -2.471 0.000 11.232) 11.501 4.891 ( 5.358 0.000 -2.078) 5.747 4.891 ( 5.358 0.000 2.078) 5.747 5.133 ( -0.393 0.000 -1.804) 1.847 5.133 ( -0.393 0.000 1.804) 1.847 5.325 ( 6.310 0.000 -4.943) 8.015 5.325 ( 6.310 0.000 4.943) 8.015 5.372 ( 6.411 0.000 -7.998) 10.250 5.372 ( 6.411 0.000 7.998) 10.250 5.444 ( 2.762 0.000 -5.144) 5.839 5.444 ( 2.762 0.000 5.144) 5.839 5.511 ( 3.552 0.000 -0.289) 3.564 5.511 ( 3.552 0.000 0.289) 3.564 5.547 ( 13.093 0.000 -8.479) 15.598 5.547 ( 13.093 0.000 8.479) 15.598 5.812 ( 10.808 0.000 -14.109) 17.772 5.812 ( 10.808 0.000 14.109) 17.772 5.949 ( 5.371 0.000 -1.562) 5.594 5.949 ( 5.371 0.000 1.562) 5.594 5.969 ( 6.536 0.000 -14.690) 16.079 5.969 ( 6.536 0.000 14.690) 16.079 6.068 ( 1.610 0.000 -1.596) 2.267 6.068 ( 1.610 0.000 1.596) 2.267 6.111 ( 11.199 0.000 -1.813) 11.345 6.111 ( 11.199 0.000 1.813) 11.345 6.202 ( -0.054 0.000 -1.540) 1.541 6.202 ( -0.054 0.000 1.540) 1.541 6.233 ( 6.354 0.000 -0.404) 6.366 6.233 ( 6.354 0.000 0.404) 6.366 6.423 ( 1.702 0.000 -1.375) 2.188 6.423 ( 1.702 0.000 1.375) 2.188 6.580 ( -3.324 0.000 -5.360) 6.307 6.580 ( -3.324 0.000 5.360) 6.307 6.644 ( -5.739 0.000 -0.634) 5.774 6.644 ( -5.739 0.000 0.634) 5.774 6.834 ( 7.116 0.000 -10.544) 12.721 6.834 ( 7.116 0.000 10.544) 12.721 6.856 ( 4.044 0.000 -5.071) 6.486 6.856 ( 4.044 0.000 5.071) 6.486 6.943 ( 9.138 0.000 -0.696) 9.164 6.943 ( 9.138 0.000 0.696) 9.164 7.247 ( 20.433 0.000 -6.331) 21.391 7.247 ( 20.433 0.000 6.331) 21.391 7.384 ( 11.655 0.000 -7.916) 14.089 7.384 ( 11.655 0.000 7.916) 14.089 7.480 ( 16.077 0.000 -2.650) 16.293 7.480 ( 16.077 0.000 2.650) 16.293 7.574 ( 8.154 0.000 -7.459) 11.051 7.574 ( 8.154 0.000 7.459) 11.051 7.693 ( 1.247 0.000 -9.108) 9.193 7.693 ( 1.247 0.000 9.108) 9.193 7.871 ( 15.242 0.000 -14.328) 20.919 7.871 ( 15.242 0.000 14.328) 20.919 7.924 ( 13.935 0.000 -5.773) 15.084 7.924 ( 13.935 0.000 5.773) 15.084 8.013 ( -5.425 0.000 -0.412) 5.441 8.013 ( -5.425 0.000 0.412) 5.441 8.148 ( 12.852 0.000 -1.965) 13.001 8.148 ( 12.852 0.000 1.965) 13.001 8.195 ( 0.380 0.000 -5.138) 5.152 8.195 ( 0.380 0.000 5.138) 5.152 8.298 ( 19.910 0.000 -8.091) 21.491 8.298 ( 19.910 0.000 8.091) 21.491 8.550 ( 6.904 0.000 -11.034) 13.016 8.550 ( 6.904 0.000 11.034) 13.016 8.658 ( 15.659 0.000 -2.781) 15.904 8.658 ( 15.659 0.000 2.781) 15.904 8.765 ( 24.979 0.000 -2.745) 25.130 8.765 ( 24.979 0.000 2.745) 25.130 9.132 ( 2.887 0.000 -4.899) 5.686 9.132 ( 2.887 0.000 4.899) 5.686 9.270 ( 11.048 0.000 -0.742) 11.073 9.270 ( 11.048 0.000 0.742) 11.073 9.377 ( 8.700 0.000 -1.815) 8.887 9.377 ( 8.700 0.000 1.815) 8.887 9.608 ( 1.820 0.000 -1.176) 2.167 9.608 ( 1.820 0.000 1.176) 2.167 9.628 ( 14.790 0.000 -1.499) 14.866 9.628 ( 14.790 0.000 1.499) 14.866 9.647 ( 2.201 0.000 -3.971) 4.540 9.647 ( 2.201 0.000 3.971) 4.540 9.910 ( 11.488 0.000 -3.781) 12.094 9.910 ( 11.488 0.000 3.781) 12.094 9.994 ( 13.563 0.000 -4.605) 14.324 9.994 ( 13.563 0.000 4.605) 14.324 10.187 ( 12.625 0.000 -3.977) 13.237 10.187 ( 12.625 0.000 3.977) 13.237 10.215 ( 18.336 0.000 -4.435) 18.865 10.215 ( 18.336 0.000 4.435) 18.865 10.405 ( 11.457 0.000 -11.390) 16.155 10.405 ( 11.457 0.000 11.390) 16.155 10.802 ( 12.432 0.000 -9.811) 15.837 10.802 ( 12.432 0.000 9.811) 15.837 10.827 ( -10.366 0.000 -0.962) 10.410 10.827 ( -10.366 0.000 0.962) 10.410 11.157 ( -4.853 0.000 -2.170) 5.316 11.157 ( -4.853 0.000 2.170) 5.316 11.394 ( 10.704 0.000 -4.456) 11.594 11.394 ( 10.704 0.000 4.456) 11.594 11.582 ( -12.773 0.000 -6.005) 14.114 11.582 ( -12.773 0.000 6.005) 14.114 11.813 ( -14.476 0.000 -1.588) 14.563 11.813 ( -14.476 0.000 1.588) 14.563 11.998 ( -6.251 0.000 -7.409) 9.694 11.998 ( -6.251 0.000 7.409) 9.694 12.230 ( -17.747 0.000 -2.252) 17.890 12.230 ( -17.747 0.000 2.252) 17.890 12.500 ( -19.335 0.000 -2.122) 19.451 12.500 ( -19.335 0.000 2.122) 19.451 12.620 ( -21.948 0.000 -1.720) 22.015 12.620 ( -21.948 0.000 1.720) 22.015 12.811 ( -16.242 0.000 -2.800) 16.482 12.811 ( -16.242 0.000 2.800) 16.482 12.991 ( -19.336 0.000 -1.463) 19.391 12.991 ( -19.336 0.000 1.463) 19.391 13.148 ( -17.824 0.000 -3.125) 18.096 13.148 ( -17.824 0.000 3.125) 18.096 13.402 ( -26.052 0.000 -2.069) 26.134 13.402 ( -26.052 0.000 2.069) 26.134 13.554 ( 3.003 0.000 -5.129) 5.943 13.554 ( 3.003 0.000 5.129) 5.943 13.656 ( 3.400 0.000 -3.996) 5.246 13.656 ( 3.400 0.000 3.996) 5.246 13.984 ( 1.408 0.000 -1.991) 2.439 13.984 ( 1.408 0.000 1.991) 2.439 14.157 ( 6.606 0.000 -8.961) 11.132 14.157 ( 6.606 0.000 8.961) 11.132 14.362 ( 8.162 0.000 -7.672) 11.202 14.362 ( 8.162 0.000 7.672) 11.202 14.487 ( 0.410 0.000 -1.434) 1.492 14.487 ( 0.410 0.000 1.434) 1.492 14.707 ( 6.135 0.000 -2.615) 6.669 14.707 ( 6.135 0.000 2.615) 6.669 14.801 ( 7.676 0.000 -0.092) 7.676 14.801 ( 7.676 0.000 0.092) 7.676 14.980 ( 4.130 0.000 -5.402) 6.800 14.980 ( 4.130 0.000 5.402) 6.800 15.052 ( 2.993 0.000 -2.417) 3.847 15.052 ( 2.993 0.000 2.417) 3.847 15.184 ( -0.704 0.000 -0.466) 0.844 15.184 ( -0.704 0.000 0.466) 0.844 15.324 ( 2.083 0.000 -4.890) 5.315 15.324 ( 2.083 0.000 4.890) 5.315 15.399 ( 2.661 0.000 -2.381) 3.571 15.399 ( 2.661 0.000 2.381) 3.571 15.496 ( -4.346 0.000 -4.940) 6.579 15.496 ( -4.346 0.000 4.940) 6.579 15.535 ( 2.385 0.000 -2.271) 3.294 15.535 ( 2.385 0.000 2.271) 3.294 15.651 ( 5.396 0.000 -0.669) 5.437 15.651 ( 5.396 0.000 0.669) 5.437 15.717 ( 3.378 0.000 -0.009) 3.378 15.717 ( 3.378 0.000 0.009) 3.378 15.848 ( -1.355 0.000 -6.922) 7.054 15.848 ( -1.355 0.000 6.922) 7.054 16.356 ( -3.114 0.000 -0.747) 3.203 16.356 ( -3.114 0.000 0.747) 3.203 16.598 ( 5.461 0.000 -0.534) 5.487 16.598 ( 5.461 0.000 0.534) 5.487 18.779 ( -26.460 0.000 -9.366) 28.069 18.779 ( -26.460 0.000 9.366) 28.069 21.811 ( 20.460 0.000 -21.413) 29.616 21.811 ( 20.460 0.000 21.413) 29.616 22.267 ( 7.750 0.000 -0.552) 7.769 22.267 ( 7.750 0.000 0.552) 7.769 22.579 ( 6.954 0.000 -5.961) 9.159 22.579 ( 6.954 0.000 5.961) 9.159 23.101 ( 0.425 0.000 -2.038) 2.082 23.101 ( 0.425 0.000 2.038) 2.082 23.621 ( 0.468 0.000 -1.271) 1.354 23.621 ( 0.468 0.000 1.271) 1.354 23.791 ( -0.875 0.000 -2.012) 2.194 23.791 ( -0.875 0.000 2.012) 2.194 ======================= Grid point 87 (29/50) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 11.495 0.000 -13.209) 17.511 2.026 ( 11.495 0.000 13.209) 17.511 2.768 ( 26.232 0.000 -8.027) 27.433 2.768 ( 26.232 0.000 8.027) 27.433 2.974 ( 6.013 0.000 -19.791) 20.685 2.974 ( 6.013 0.000 19.791) 20.685 3.073 ( 2.145 0.000 -2.365) 3.193 3.073 ( 2.145 0.000 2.365) 3.193 3.325 ( -6.827 0.000 -8.628) 11.003 3.325 ( -6.827 0.000 8.628) 11.003 3.486 ( 5.310 0.000 -17.044) 17.852 3.486 ( 5.310 0.000 17.044) 17.852 3.715 ( -4.001 0.000 -7.302) 8.326 3.715 ( -4.001 0.000 7.302) 8.326 3.876 ( -4.673 0.000 -10.893) 11.853 3.876 ( -4.673 0.000 10.893) 11.853 4.019 ( -3.846 0.000 -0.278) 3.856 4.019 ( -3.846 0.000 0.278) 3.856 4.071 ( -7.212 0.000 -8.448) 11.107 4.071 ( -7.212 0.000 8.448) 11.107 4.140 ( -3.370 0.000 -0.824) 3.470 4.140 ( -3.370 0.000 0.824) 3.470 4.330 ( 1.745 0.000 -0.654) 1.864 4.330 ( 1.745 0.000 0.654) 1.864 4.389 ( -9.892 0.000 -1.209) 9.965 4.389 ( -9.892 0.000 1.209) 9.965 4.505 ( -3.782 0.000 -9.484) 10.210 4.505 ( -3.782 0.000 9.484) 10.210 4.620 ( -0.726 0.000 -5.882) 5.926 4.620 ( -0.726 0.000 5.882) 5.926 4.832 ( 5.614 0.000 -1.795) 5.894 4.832 ( 5.614 0.000 1.795) 5.894 4.931 ( -1.363 0.000 -6.461) 6.603 4.931 ( -1.363 0.000 6.461) 6.603 5.186 ( -0.422 0.000 -0.420) 0.595 5.186 ( -0.422 0.000 0.420) 0.595 5.276 ( 0.734 0.000 -2.991) 3.080 5.276 ( 0.734 0.000 2.991) 3.080 5.443 ( 3.661 0.000 -1.294) 3.883 5.443 ( 3.661 0.000 1.294) 3.883 5.597 ( 5.429 0.000 -0.896) 5.502 5.597 ( 5.429 0.000 0.896) 5.502 5.694 ( 2.405 0.000 -2.624) 3.559 5.694 ( 2.405 0.000 2.624) 3.559 5.796 ( 1.230 0.000 -5.707) 5.838 5.796 ( 1.230 0.000 5.707) 5.838 5.901 ( -1.137 0.000 -3.387) 3.573 5.901 ( -1.137 0.000 3.387) 3.573 5.986 ( 2.158 0.000 -1.108) 2.426 5.986 ( 2.158 0.000 1.108) 2.426 5.994 ( -5.036 0.000 -1.272) 5.195 5.994 ( -5.036 0.000 1.272) 5.195 6.122 ( -0.197 0.000 -1.606) 1.618 6.122 ( -0.197 0.000 1.606) 1.618 6.203 ( 17.333 0.000 -1.674) 17.414 6.203 ( 17.333 0.000 1.674) 17.414 6.360 ( -12.738 0.000 -3.027) 13.093 6.360 ( -12.738 0.000 3.027) 13.093 6.420 ( 16.956 0.000 -4.320) 17.498 6.420 ( 16.956 0.000 4.320) 17.498 6.525 ( 14.999 0.000 -4.690) 15.715 6.525 ( 14.999 0.000 4.690) 15.715 6.637 ( 14.992 0.000 -0.236) 14.994 6.637 ( 14.992 0.000 0.236) 14.994 6.851 ( 10.011 0.000 -12.011) 15.636 6.851 ( 10.011 0.000 12.011) 15.636 6.921 ( 8.786 0.000 -5.785) 10.519 6.921 ( 8.786 0.000 5.785) 10.519 7.006 ( 14.027 0.000 -2.393) 14.230 7.006 ( 14.027 0.000 2.393) 14.230 7.261 ( 15.765 0.000 -7.613) 17.507 7.261 ( 15.765 0.000 7.613) 17.507 7.333 ( -4.493 0.000 -3.871) 5.930 7.333 ( -4.493 0.000 3.871) 5.930 7.543 ( 4.794 0.000 -4.616) 6.655 7.543 ( 4.794 0.000 4.616) 6.655 7.559 ( -1.561 0.000 -6.981) 7.154 7.559 ( -1.561 0.000 6.981) 7.154 7.716 ( -8.947 0.000 -3.881) 9.752 7.716 ( -8.947 0.000 3.881) 9.752 7.829 ( -0.922 0.000 -2.353) 2.528 7.829 ( -0.922 0.000 2.353) 2.528 7.952 ( 15.174 0.000 -12.404) 19.599 7.952 ( 15.174 0.000 12.404) 19.599 8.059 ( -2.864 0.000 -5.749) 6.423 8.059 ( -2.864 0.000 5.749) 6.423 8.221 ( 20.902 0.000 -1.534) 20.958 8.221 ( 20.902 0.000 1.534) 20.958 8.420 ( 32.847 0.000 -3.530) 33.037 8.420 ( 32.847 0.000 3.530) 33.037 8.553 ( 17.660 0.000 -17.224) 24.669 8.553 ( 17.660 0.000 17.224) 24.669 8.730 ( 25.004 0.000 -5.660) 25.636 8.730 ( 25.004 0.000 5.660) 25.636 8.911 ( 17.477 0.000 -13.620) 22.158 8.911 ( 17.477 0.000 13.620) 22.158 9.013 ( 21.465 0.000 -2.332) 21.591 9.013 ( 21.465 0.000 2.332) 21.591 9.085 ( 6.949 0.000 -2.475) 7.376 9.085 ( 6.949 0.000 2.475) 7.376 9.394 ( -9.529 0.000 -6.350) 11.452 9.394 ( -9.529 0.000 6.350) 11.452 9.480 ( 13.771 0.000 -7.033) 15.463 9.480 ( 13.771 0.000 7.033) 15.463 9.529 ( 11.781 0.000 -3.939) 12.422 9.529 ( 11.781 0.000 3.939) 12.422 9.608 ( 9.486 0.000 -0.409) 9.495 9.608 ( 9.486 0.000 0.409) 9.495 9.758 ( 11.553 0.000 -1.056) 11.601 9.758 ( 11.553 0.000 1.056) 11.601 9.897 ( 14.811 0.000 -13.703) 20.178 9.897 ( 14.811 0.000 13.703) 20.178 10.217 ( 8.392 0.000 -3.474) 9.082 10.217 ( 8.392 0.000 3.474) 9.082 10.275 ( -0.836 0.000 -1.773) 1.960 10.275 ( -0.836 0.000 1.773) 1.960 10.392 ( 6.139 0.000 -1.521) 6.325 10.392 ( 6.139 0.000 1.521) 6.325 10.454 ( -0.294 0.000 -0.086) 0.306 10.454 ( -0.294 0.000 0.086) 0.306 10.466 ( 9.898 0.000 -0.507) 9.911 10.466 ( 9.898 0.000 0.507) 9.911 10.766 ( 12.894 0.000 -9.160) 15.816 10.766 ( 12.894 0.000 9.160) 15.816 11.026 ( 2.521 0.000 -3.488) 4.304 11.026 ( 2.521 0.000 3.488) 4.304 11.126 ( -6.268 0.000 -4.621) 7.788 11.126 ( -6.268 0.000 4.621) 7.788 11.302 ( -4.481 0.000 -2.133) 4.963 11.302 ( -4.481 0.000 2.133) 4.963 11.496 ( -1.238 0.000 -1.949) 2.309 11.496 ( -1.238 0.000 1.949) 2.309 11.551 ( -7.398 0.000 -9.047) 11.687 11.551 ( -7.398 0.000 9.047) 11.687 11.851 ( -17.497 0.000 -0.566) 17.506 11.851 ( -17.497 0.000 0.566) 17.506 11.861 ( -16.494 0.000 -0.935) 16.521 11.861 ( -16.494 0.000 0.935) 16.521 12.090 ( -25.073 0.000 -4.869) 25.541 12.090 ( -25.073 0.000 4.869) 25.541 12.341 ( -13.218 0.000 -3.435) 13.657 12.341 ( -13.218 0.000 3.435) 13.657 12.398 ( -0.283 0.000 -2.555) 2.570 12.398 ( -0.283 0.000 2.555) 2.570 12.652 ( -20.474 0.000 -7.795) 21.907 12.652 ( -20.474 0.000 7.795) 21.907 12.773 ( -23.782 0.000 -3.033) 23.975 12.773 ( -23.782 0.000 3.033) 23.975 12.785 ( -16.386 0.000 -0.471) 16.392 12.785 ( -16.386 0.000 0.471) 16.392 13.592 ( -2.857 0.000 -0.704) 2.943 13.592 ( -2.857 0.000 0.704) 2.943 13.728 ( 5.019 0.000 -1.945) 5.383 13.728 ( 5.019 0.000 1.945) 5.383 14.017 ( -0.171 0.000 -0.197) 0.261 14.017 ( -0.171 0.000 0.197) 0.261 14.294 ( 7.707 0.000 -0.027) 7.707 14.294 ( 7.707 0.000 0.027) 7.707 14.491 ( 3.214 0.000 -5.856) 6.680 14.491 ( 3.214 0.000 5.856) 6.680 14.534 ( 5.679 0.000 -7.006) 9.019 14.534 ( 5.679 0.000 7.006) 9.019 14.799 ( 3.061 0.000 -2.115) 3.721 14.799 ( 3.061 0.000 2.115) 3.721 14.907 ( 0.291 0.000 -9.036) 9.041 14.907 ( 0.291 0.000 9.036) 9.041 14.988 ( 0.335 0.000 -3.904) 3.918 14.988 ( 0.335 0.000 3.904) 3.918 15.116 ( 2.392 0.000 -2.448) 3.423 15.116 ( 2.392 0.000 2.448) 3.423 15.196 ( -0.267 0.000 -0.800) 0.843 15.196 ( -0.267 0.000 0.800) 0.843 15.355 ( -0.118 0.000 -2.932) 2.934 15.355 ( -0.118 0.000 2.932) 2.934 15.395 ( -2.690 0.000 -3.764) 4.627 15.395 ( -2.690 0.000 3.764) 4.627 15.462 ( 2.501 0.000 -4.106) 4.808 15.462 ( 2.501 0.000 4.106) 4.808 15.594 ( 1.625 0.000 -1.108) 1.967 15.594 ( 1.625 0.000 1.108) 1.967 15.750 ( 3.691 0.000 -1.038) 3.835 15.750 ( 3.691 0.000 1.038) 3.835 15.814 ( 4.608 0.000 -0.575) 4.644 15.814 ( 4.608 0.000 0.575) 4.644 15.845 ( 2.362 0.000 -2.303) 3.299 15.845 ( 2.362 0.000 2.303) 3.299 16.263 ( -5.884 0.000 -1.612) 6.100 16.263 ( -5.884 0.000 1.612) 6.100 16.778 ( 12.814 0.000 -1.852) 12.947 16.778 ( 12.814 0.000 1.852) 12.947 18.206 ( -27.976 0.000 -2.351) 28.074 18.206 ( -27.976 0.000 2.351) 28.074 22.278 ( 23.723 0.000 -8.874) 25.328 22.278 ( 23.723 0.000 8.874) 25.328 22.524 ( 14.917 0.000 -2.318) 15.096 22.524 ( 14.917 0.000 2.318) 15.096 22.717 ( 7.549 0.000 -0.004) 7.549 22.717 ( 7.549 0.000 0.004) 7.549 23.088 ( -1.477 0.000 -3.169) 3.496 23.088 ( -1.477 0.000 3.169) 3.496 23.575 ( -5.310 0.000 -1.080) 5.418 23.575 ( -5.310 0.000 1.080) 5.418 23.701 ( -8.341 0.000 -3.063) 8.885 23.701 ( -8.341 0.000 3.063) 8.885 ======================= Grid point 89 (30/50) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 13.175 0.000 -0.240) 13.177 2.241 ( 13.175 0.000 0.240) 13.177 2.624 ( -22.241 0.000 -13.729) 26.137 2.624 ( -22.241 0.000 13.729) 26.137 3.162 ( 2.628 0.000 -1.091) 2.846 3.162 ( 2.628 0.000 1.091) 2.846 3.177 ( 3.738 0.000 -3.927) 5.421 3.177 ( 3.738 0.000 3.927) 5.421 3.334 ( 6.656 0.000 -1.088) 6.745 3.334 ( 6.656 0.000 1.088) 6.745 3.484 ( -4.331 0.000 -1.426) 4.560 3.484 ( -4.331 0.000 1.426) 4.560 3.651 ( 5.645 0.000 -4.619) 7.294 3.651 ( 5.645 0.000 4.619) 7.294 3.893 ( 5.419 0.000 -6.350) 8.348 3.893 ( 5.419 0.000 6.350) 8.348 3.964 ( -11.524 0.000 -6.154) 13.064 3.964 ( -11.524 0.000 6.154) 13.064 4.000 ( -0.176 0.000 -15.615) 15.616 4.000 ( -0.176 0.000 15.615) 15.616 4.043 ( -2.791 0.000 -1.098) 2.999 4.043 ( -2.791 0.000 1.098) 2.999 4.154 ( -9.739 0.000 -14.612) 17.560 4.154 ( -9.739 0.000 14.612) 17.560 4.344 ( 6.825 0.000 -13.965) 15.543 4.344 ( 6.825 0.000 13.965) 15.543 4.488 ( -3.615 0.000 -13.129) 13.617 4.488 ( -3.615 0.000 13.129) 13.617 4.707 ( 8.494 0.000 -0.095) 8.494 4.707 ( 8.494 0.000 0.095) 8.494 4.876 ( -4.466 0.000 -3.063) 5.416 4.876 ( -4.466 0.000 3.063) 5.416 5.028 ( 9.541 0.000 -5.855) 11.194 5.028 ( 9.541 0.000 5.855) 11.194 5.097 ( -0.380 0.000 -2.136) 2.170 5.097 ( -0.380 0.000 2.136) 2.170 5.279 ( -1.921 0.000 -1.001) 2.166 5.279 ( -1.921 0.000 1.001) 2.166 5.425 ( -12.055 0.000 -3.804) 12.641 5.425 ( -12.055 0.000 3.804) 12.641 5.646 ( 5.854 0.000 -3.923) 7.047 5.646 ( 5.854 0.000 3.923) 7.047 5.698 ( -0.071 0.000 -1.475) 1.477 5.698 ( -0.071 0.000 1.475) 1.477 5.779 ( 0.468 0.000 -1.067) 1.165 5.779 ( 0.468 0.000 1.067) 1.165 5.856 ( -5.460 0.000 -0.561) 5.488 5.856 ( -5.460 0.000 0.561) 5.488 5.916 ( 1.440 0.000 -0.549) 1.541 5.916 ( 1.440 0.000 0.549) 1.541 5.964 ( -2.248 0.000 -0.693) 2.352 5.964 ( -2.248 0.000 0.693) 2.352 6.085 ( -1.828 0.000 -0.911) 2.043 6.085 ( -1.828 0.000 0.911) 2.043 6.129 ( -6.356 0.000 -1.778) 6.600 6.129 ( -6.356 0.000 1.778) 6.600 6.540 ( 10.984 0.000 -12.478) 16.624 6.540 ( 10.984 0.000 12.478) 16.624 6.666 ( 1.424 0.000 -8.952) 9.065 6.666 ( 1.424 0.000 8.952) 9.065 6.802 ( 9.295 0.000 -0.468) 9.307 6.802 ( 9.295 0.000 0.468) 9.307 6.898 ( -0.709 0.000 -3.870) 3.934 6.898 ( -0.709 0.000 3.870) 3.934 6.966 ( 5.630 0.000 -2.040) 5.988 6.966 ( 5.630 0.000 2.040) 5.988 7.071 ( 2.311 0.000 -5.589) 6.048 7.071 ( 2.311 0.000 5.589) 6.048 7.217 ( 4.035 0.000 -1.955) 4.484 7.217 ( 4.035 0.000 1.955) 4.484 7.302 ( 8.320 0.000 -6.299) 10.436 7.302 ( 8.320 0.000 6.299) 10.436 7.430 ( 0.736 0.000 -2.441) 2.550 7.430 ( 0.736 0.000 2.441) 2.550 7.556 ( 8.130 0.000 -2.252) 8.436 7.556 ( 8.130 0.000 2.252) 8.436 7.645 ( 4.879 0.000 -3.130) 5.797 7.645 ( 4.879 0.000 3.130) 5.797 7.706 ( -4.155 0.000 -0.692) 4.212 7.706 ( -4.155 0.000 0.692) 4.212 7.824 ( -4.311 0.000 -11.185) 11.987 7.824 ( -4.311 0.000 11.185) 11.987 7.993 ( 3.098 0.000 -5.330) 6.165 7.993 ( 3.098 0.000 5.330) 6.165 8.198 ( 14.887 0.000 -14.023) 20.451 8.198 ( 14.887 0.000 14.023) 20.451 8.641 ( -11.208 0.000 -5.737) 12.591 8.641 ( -11.208 0.000 5.737) 12.591 8.758 ( 20.032 0.000 -0.818) 20.049 8.758 ( 20.032 0.000 0.818) 20.049 8.940 ( 13.402 0.000 -2.665) 13.665 8.940 ( 13.402 0.000 2.665) 13.665 8.988 ( 3.046 0.000 -4.220) 5.205 8.988 ( 3.046 0.000 4.220) 5.205 9.209 ( 2.736 0.000 -0.174) 2.741 9.209 ( 2.736 0.000 0.174) 2.741 9.249 ( 15.215 0.000 -11.762) 19.232 9.249 ( 15.215 0.000 11.762) 19.232 9.401 ( 5.918 0.000 -9.780) 11.431 9.401 ( 5.918 0.000 9.780) 11.431 9.468 ( 9.480 0.000 -0.980) 9.530 9.468 ( 9.480 0.000 0.980) 9.530 9.586 ( 11.311 0.000 -0.650) 11.329 9.586 ( 11.311 0.000 0.650) 11.329 9.724 ( 1.927 0.000 -1.206) 2.273 9.724 ( 1.927 0.000 1.206) 2.273 9.828 ( -8.837 0.000 -5.943) 10.650 9.828 ( -8.837 0.000 5.943) 10.650 9.990 ( 8.793 0.000 -1.933) 9.003 9.990 ( 8.793 0.000 1.933) 9.003 10.011 ( 4.990 0.000 -5.269) 7.257 10.011 ( 4.990 0.000 5.269) 7.257 10.108 ( -4.188 0.000 -1.258) 4.372 10.108 ( -4.188 0.000 1.258) 4.372 10.337 ( 12.046 0.000 -2.388) 12.280 10.337 ( 12.046 0.000 2.388) 12.280 10.519 ( 29.344 0.000 -12.901) 32.055 10.519 ( 29.344 0.000 12.901) 32.055 10.600 ( -1.921 0.000 -1.697) 2.564 10.600 ( -1.921 0.000 1.697) 2.564 10.731 ( 2.166 0.000 -1.408) 2.583 10.731 ( 2.166 0.000 1.408) 2.583 10.831 ( -0.716 0.000 -0.841) 1.104 10.831 ( -0.716 0.000 0.841) 1.104 10.894 ( -8.122 0.000 -0.115) 8.123 10.894 ( -8.122 0.000 0.115) 8.123 11.113 ( -5.937 0.000 -1.458) 6.114 11.113 ( -5.937 0.000 1.458) 6.114 11.247 ( -21.211 0.000 -13.095) 24.928 11.247 ( -21.211 0.000 13.095) 24.928 11.288 ( -4.388 0.000 -7.495) 8.684 11.288 ( -4.388 0.000 7.495) 8.684 11.420 ( -8.382 0.000 -4.890) 9.704 11.420 ( -8.382 0.000 4.890) 9.704 11.518 ( -4.979 0.000 -1.577) 5.223 11.518 ( -4.979 0.000 1.577) 5.223 11.644 ( -3.213 0.000 -2.146) 3.863 11.644 ( -3.213 0.000 2.146) 3.863 11.810 ( -18.881 0.000 -5.917) 19.787 11.810 ( -18.881 0.000 5.917) 19.787 11.985 ( 2.026 0.000 -0.691) 2.141 11.985 ( 2.026 0.000 0.691) 2.141 12.111 ( 5.584 0.000 -1.633) 5.818 12.111 ( 5.584 0.000 1.633) 5.818 12.319 ( -18.265 0.000 -3.250) 18.552 12.319 ( -18.265 0.000 3.250) 18.552 12.455 ( -18.101 0.000 -2.535) 18.278 12.455 ( -18.101 0.000 2.535) 18.278 12.997 ( 24.697 0.000 -5.591) 25.322 12.997 ( 24.697 0.000 5.591) 25.322 13.411 ( -14.485 0.000 -4.571) 15.189 13.411 ( -14.485 0.000 4.571) 15.189 13.847 ( 5.826 0.000 -1.748) 6.083 13.847 ( 5.827 0.000 1.748) 6.083 13.959 ( -4.690 0.000 -0.596) 4.728 13.959 ( -4.690 0.000 0.596) 4.728 14.459 ( 6.714 0.000 -3.587) 7.612 14.459 ( 6.714 0.000 3.587) 7.612 14.528 ( 0.048 0.000 -1.910) 1.910 14.528 ( 0.048 0.000 1.910) 1.910 14.677 ( 7.252 0.000 -5.708) 9.229 14.677 ( 7.252 0.000 5.708) 9.229 14.811 ( -4.624 0.000 -0.130) 4.626 14.811 ( -4.624 0.000 0.130) 4.626 14.882 ( 2.607 0.000 -1.061) 2.815 14.882 ( 2.607 0.000 1.061) 2.815 14.972 ( -3.868 0.000 -5.328) 6.584 14.972 ( -3.868 0.000 5.328) 6.584 15.144 ( 0.706 0.000 -1.122) 1.326 15.144 ( 0.706 0.000 1.122) 1.326 15.162 ( -1.519 0.000 -0.279) 1.544 15.162 ( -1.519 0.000 0.279) 1.544 15.348 ( 0.524 0.000 -2.891) 2.938 15.348 ( 0.524 0.000 2.891) 2.938 15.367 ( -1.077 0.000 -3.163) 3.341 15.367 ( -1.077 0.000 3.163) 3.341 15.523 ( 3.068 0.000 -2.699) 4.086 15.523 ( 3.068 0.000 2.699) 4.086 15.580 ( -2.248 0.000 -0.809) 2.389 15.580 ( -2.248 0.000 0.809) 2.389 15.817 ( 2.953 0.000 -1.028) 3.127 15.817 ( 2.953 0.000 1.028) 3.127 15.859 ( -0.410 0.000 -0.266) 0.489 15.859 ( -0.410 0.000 0.266) 0.489 15.954 ( 7.367 0.000 -2.438) 7.760 15.954 ( 7.367 0.000 2.438) 7.760 16.118 ( -7.878 0.000 -2.173) 8.172 16.118 ( -7.878 0.000 2.173) 8.172 17.140 ( 21.692 0.000 -4.228) 22.100 17.140 ( 21.692 0.000 4.228) 22.100 17.643 ( -26.201 0.000 -2.879) 26.359 17.643 ( -26.201 0.000 2.879) 26.359 22.678 ( 11.483 0.000 -0.244) 11.485 22.678 ( 11.483 0.000 0.244) 11.485 22.760 ( 4.536 0.000 -2.766) 5.313 22.760 ( 4.536 0.000 2.766) 5.313 22.963 ( 16.295 0.000 -2.148) 16.436 22.963 ( 16.295 0.000 2.148) 16.436 23.093 ( 3.913 0.000 -3.629) 5.337 23.093 ( 3.913 0.000 3.629) 5.337 23.408 ( -9.485 0.000 -0.195) 9.487 23.408 ( -9.485 0.000 0.195) 9.487 23.449 ( -14.397 0.000 -2.139) 14.555 23.449 ( -14.397 0.000 2.139) 14.555 ======================= Grid point 99 (31/50) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 16.617 -37.393) 40.919 1.063 ( 0.000 16.617 37.393) 40.919 1.113 ( 0.000 21.967 -41.683) 47.117 1.113 ( 0.000 21.967 41.683) 47.117 1.737 ( 0.000 37.371 -46.690) 59.804 1.737 ( 0.000 37.371 46.690) 59.804 2.293 ( 0.000 18.526 -22.133) 28.863 2.293 ( 0.000 18.526 22.133) 28.863 2.609 ( 0.000 22.388 -22.167) 31.506 2.609 ( 0.000 22.388 22.167) 31.506 2.908 ( 0.000 29.241 -9.158) 30.641 2.908 ( 0.000 29.241 9.158) 30.641 3.369 ( 0.000 34.955 -12.118) 36.996 3.369 ( 0.000 34.955 12.118) 36.996 3.507 ( 0.000 8.303 -3.918) 9.181 3.507 ( 0.000 8.303 3.918) 9.181 4.015 ( 0.000 5.701 -9.310) 10.917 4.015 ( 0.000 5.701 9.310) 10.917 4.179 ( 0.000 3.751 -5.702) 6.825 4.179 ( 0.000 3.751 5.702) 6.825 4.207 ( 0.000 -1.266 -5.264) 5.414 4.207 ( 0.000 -1.266 5.264) 5.414 4.408 ( 0.000 6.505 -20.479) 21.487 4.408 ( 0.000 6.505 20.479) 21.487 4.538 ( 0.000 9.330 -1.601) 9.467 4.538 ( 0.000 9.330 1.601) 9.467 4.645 ( 0.000 6.697 -29.690) 30.436 4.645 ( 0.000 6.697 29.690) 30.436 4.718 ( 0.000 -4.262 -2.076) 4.741 4.718 ( 0.000 -4.262 2.076) 4.741 4.750 ( 0.000 9.459 -7.349) 11.978 4.750 ( 0.000 9.459 7.349) 11.978 4.987 ( 0.000 -1.157 -3.948) 4.114 4.987 ( 0.000 -1.157 3.948) 4.114 5.081 ( 0.000 9.758 -4.119) 10.591 5.081 ( 0.000 9.758 4.119) 10.591 5.155 ( 0.000 2.230 -6.032) 6.431 5.155 ( 0.000 2.230 6.032) 6.431 5.330 ( 0.000 3.632 -5.051) 6.221 5.330 ( 0.000 3.632 5.051) 6.221 5.496 ( 0.000 1.746 -6.008) 6.257 5.496 ( 0.000 1.746 6.008) 6.257 5.535 ( 0.000 4.871 -4.087) 6.358 5.535 ( 0.000 4.871 4.087) 6.358 5.592 ( 0.000 18.626 -5.433) 19.402 5.592 ( 0.000 18.626 5.433) 19.402 5.760 ( 0.000 26.856 -3.463) 27.078 5.760 ( 0.000 26.856 3.463) 27.078 5.813 ( 0.000 12.878 -1.299) 12.944 5.813 ( 0.000 12.878 1.299) 12.944 5.871 ( 0.000 14.928 -6.785) 16.398 5.871 ( 0.000 14.928 6.785) 16.398 6.086 ( 0.000 7.367 -6.409) 9.765 6.086 ( 0.000 7.367 6.409) 9.765 6.150 ( 0.000 16.240 -15.135) 22.199 6.150 ( 0.000 16.240 15.135) 22.199 6.212 ( 0.000 20.518 -2.798) 20.708 6.212 ( 0.000 20.518 2.798) 20.708 6.292 ( 0.000 7.551 -4.250) 8.665 6.292 ( 0.000 7.551 4.250) 8.665 6.380 ( 0.000 -0.925 -1.736) 1.967 6.380 ( 0.000 -0.925 1.736) 1.967 6.476 ( 0.000 11.889 -1.326) 11.963 6.476 ( 0.000 11.889 1.326) 11.963 6.612 ( 0.000 7.229 -1.983) 7.496 6.612 ( 0.000 7.229 1.983) 7.496 6.722 ( 0.000 4.892 -0.228) 4.898 6.722 ( 0.000 4.892 0.228) 4.898 6.727 ( 0.000 4.890 -6.213) 7.907 6.727 ( 0.000 4.890 6.213) 7.907 6.907 ( 0.000 3.417 -13.980) 14.391 6.907 ( 0.000 3.417 13.980) 14.391 7.080 ( 0.000 6.143 -2.240) 6.539 7.080 ( 0.000 6.143 2.240) 6.539 7.109 ( 0.000 7.793 -3.544) 8.561 7.109 ( 0.000 7.793 3.544) 8.561 7.211 ( 0.000 6.412 -7.483) 9.854 7.211 ( 0.000 6.412 7.483) 9.854 7.250 ( 0.000 0.721 -2.965) 3.052 7.250 ( 0.000 0.721 2.965) 3.052 7.498 ( 0.000 23.533 -11.848) 26.348 7.498 ( 0.000 23.533 11.848) 26.348 7.519 ( 0.000 -2.517 -3.115) 4.005 7.519 ( 0.000 -2.517 3.115) 4.005 7.678 ( 0.000 8.695 -1.644) 8.849 7.678 ( 0.000 8.695 1.644) 8.849 7.747 ( 0.000 0.546 -5.973) 5.998 7.747 ( 0.000 0.546 5.973) 5.998 8.000 ( 0.000 2.304 -5.232) 5.717 8.000 ( 0.000 2.304 5.232) 5.717 8.021 ( 0.000 0.014 -9.057) 9.057 8.021 ( 0.000 0.014 9.057) 9.057 8.212 ( 0.000 3.057 -2.999) 4.283 8.212 ( 0.000 3.057 2.999) 4.283 8.442 ( 0.000 14.602 -2.248) 14.774 8.442 ( 0.000 14.602 2.248) 14.774 8.691 ( 0.000 7.215 -4.334) 8.417 8.691 ( 0.000 7.215 4.334) 8.417 8.879 ( 0.000 9.146 -10.588) 13.992 8.879 ( 0.000 9.146 10.588) 13.992 8.914 ( 0.000 -12.876 -4.843) 13.757 8.914 ( 0.000 -12.876 4.843) 13.757 8.994 ( 0.000 7.353 -4.025) 8.383 8.994 ( 0.000 7.353 4.025) 8.383 9.073 ( 0.000 -4.485 -4.364) 6.258 9.073 ( 0.000 -4.485 4.364) 6.258 9.281 ( 0.000 -8.391 -1.129) 8.466 9.281 ( 0.000 -8.391 1.129) 8.466 9.293 ( 0.000 9.861 -11.037) 14.801 9.293 ( 0.000 9.861 11.037) 14.801 9.603 ( 0.000 2.282 -8.146) 8.459 9.603 ( 0.000 2.282 8.146) 8.459 9.652 ( 0.000 17.808 -14.538) 22.989 9.652 ( 0.000 17.808 14.538) 22.989 9.806 ( 0.000 0.193 -13.271) 13.272 9.806 ( 0.000 0.193 13.271) 13.272 9.988 ( 0.000 6.631 -3.252) 7.385 9.988 ( 0.000 6.631 3.252) 7.385 10.110 ( 0.000 12.565 -10.199) 16.184 10.110 ( 0.000 12.565 10.199) 16.184 10.190 ( 0.000 10.592 -5.129) 11.769 10.190 ( 0.000 10.592 5.129) 11.769 10.429 ( 0.000 -1.304 -1.832) 2.249 10.429 ( 0.000 -1.304 1.832) 2.249 11.126 ( 0.000 14.435 -2.804) 14.704 11.126 ( 0.000 14.435 2.804) 14.704 11.283 ( 0.000 -5.818 -3.470) 6.774 11.283 ( 0.000 -5.818 3.470) 6.774 11.291 ( 0.000 -3.587 -4.426) 5.697 11.291 ( 0.000 -3.587 4.426) 5.697 11.782 ( 0.000 -4.412 -0.158) 4.415 11.782 ( 0.000 -4.412 0.158) 4.415 12.033 ( 0.000 -6.208 -10.969) 12.604 12.033 ( 0.000 -6.208 10.969) 12.604 12.226 ( 0.000 -4.123 -2.259) 4.701 12.226 ( 0.000 -4.123 2.259) 4.701 12.516 ( 0.000 -11.501 -4.513) 12.355 12.516 ( 0.000 -11.501 4.513) 12.355 12.864 ( 0.000 -7.409 -2.118) 7.706 12.864 ( 0.000 -7.409 2.118) 7.706 12.995 ( 0.000 -11.315 -5.555) 12.605 12.995 ( 0.000 -11.315 5.555) 12.605 13.155 ( 0.000 -3.113 -1.419) 3.421 13.155 ( 0.000 -3.113 1.419) 3.421 13.338 ( 0.000 -5.332 -4.170) 6.769 13.338 ( 0.000 -5.332 4.170) 6.769 13.446 ( 0.000 -22.156 -2.090) 22.254 13.446 ( 0.000 -22.156 2.090) 22.254 13.551 ( 0.000 -8.090 -4.586) 9.299 13.551 ( 0.000 -8.090 4.586) 9.299 13.700 ( 0.000 -5.464 -5.107) 7.480 13.700 ( 0.000 -5.464 5.107) 7.480 13.701 ( 0.000 -14.886 -9.050) 17.422 13.701 ( 0.000 -14.886 9.050) 17.422 13.806 ( 0.000 -2.415 -8.707) 9.035 13.806 ( 0.000 -2.415 8.707) 9.035 14.013 ( 0.000 -7.731 -11.541) 13.891 14.013 ( 0.000 -7.731 11.541) 13.891 14.026 ( 0.000 -8.141 -4.892) 9.497 14.026 ( 0.000 -8.141 4.892) 9.497 14.249 ( 0.000 -17.941 -1.418) 17.997 14.249 ( 0.000 -17.941 1.418) 17.997 14.309 ( 0.000 -4.753 -3.259) 5.763 14.309 ( 0.000 -4.753 3.259) 5.763 14.387 ( 0.000 -8.657 -3.960) 9.520 14.387 ( 0.000 -8.657 3.960) 9.520 14.402 ( 0.000 -7.287 -0.821) 7.333 14.402 ( 0.000 -7.287 0.821) 7.333 14.983 ( 0.000 -12.533 -1.580) 12.632 14.983 ( 0.000 -12.533 1.580) 12.632 15.085 ( 0.000 -11.162 -9.013) 14.346 15.085 ( 0.000 -11.162 9.013) 14.346 15.125 ( 0.000 -7.703 -3.392) 8.417 15.125 ( 0.000 -7.703 3.392) 8.417 15.398 ( 0.000 -10.467 -4.353) 11.336 15.398 ( 0.000 -10.467 4.353) 11.336 15.519 ( 0.000 0.928 -17.375) 17.400 15.519 ( 0.000 0.928 17.375) 17.400 15.678 ( 0.000 7.392 -0.205) 7.395 15.678 ( 0.000 7.392 0.205) 7.395 15.715 ( 0.000 19.879 -6.255) 20.840 15.715 ( 0.000 19.879 6.255) 20.840 15.947 ( 0.000 4.343 -2.180) 4.859 15.947 ( 0.000 4.343 2.180) 4.859 16.055 ( 0.000 7.683 -1.096) 7.760 16.055 ( 0.000 7.683 1.096) 7.760 16.502 ( 0.000 4.700 -10.403) 11.415 16.502 ( 0.000 4.700 10.403) 11.415 16.749 ( 0.000 19.317 -2.026) 19.423 16.749 ( 0.000 19.317 2.026) 19.423 19.177 ( 0.000 -23.043 -19.081) 29.918 19.177 ( 0.000 -23.043 19.081) 29.918 21.239 ( 0.000 4.346 -35.961) 36.223 21.239 ( 0.000 4.346 35.961) 36.223 22.025 ( 0.000 -25.952 -14.557) 29.755 22.025 ( 0.000 -25.952 14.557) 29.755 22.169 ( 0.000 -14.534 -17.861) 23.027 22.169 ( 0.000 -14.534 17.861) 23.027 22.965 ( 0.000 -9.088 -0.421) 9.097 22.965 ( 0.000 -9.088 0.421) 9.097 23.443 ( 0.000 -10.335 -0.211) 10.337 23.443 ( 0.000 -10.335 0.211) 10.337 23.636 ( 0.000 -10.692 -0.063) 10.692 23.636 ( 0.000 -10.692 0.063) 10.692 ======================= Grid point 101 (32/50) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 21.647 14.089 -16.967) 30.903 1.116 ( 21.647 14.089 16.967) 30.903 1.658 ( 27.267 27.678 -20.823) 44.082 1.658 ( 27.267 27.678 20.823) 44.082 2.314 ( 40.535 10.826 -31.008) 52.170 2.314 ( 40.535 10.826 31.008) 52.170 2.561 ( 20.464 13.196 -22.634) 33.245 2.561 ( 20.464 13.196 22.634) 33.245 2.764 ( 16.329 20.986 -17.899) 32.053 2.764 ( 16.329 20.986 17.899) 32.053 3.325 ( 13.194 14.439 -10.216) 22.067 3.325 ( 13.194 14.439 10.216) 22.067 3.510 ( 22.914 31.125 -9.798) 39.872 3.510 ( 22.914 31.125 9.798) 39.872 3.671 ( 6.547 3.573 -2.639) 7.912 3.671 ( 6.547 3.573 2.639) 7.912 4.105 ( 2.190 9.783 -1.000) 10.075 4.105 ( 2.190 9.783 1.000) 10.075 4.189 ( 2.033 -4.932 -5.728) 7.827 4.189 ( 2.033 -4.932 5.728) 7.827 4.334 ( 4.428 3.556 -11.906) 13.191 4.334 ( 4.428 3.556 11.906) 13.191 4.464 ( 3.785 3.144 -10.266) 11.384 4.464 ( 3.785 3.144 10.266) 11.384 4.528 ( 6.462 1.168 -2.135) 6.905 4.528 ( 6.462 1.168 2.135) 6.905 4.676 ( 0.872 -1.038 -1.301) 1.879 4.676 ( 0.872 -1.038 1.301) 1.879 4.781 ( 0.390 10.641 -10.019) 14.620 4.781 ( 0.390 10.641 10.019) 14.620 4.916 ( -9.883 2.139 -6.104) 11.811 4.916 ( -9.883 2.139 6.104) 11.811 4.926 ( 0.228 4.103 -8.507) 9.447 4.926 ( 0.228 4.103 8.507) 9.447 5.070 ( 10.417 9.120 -17.980) 22.693 5.070 ( 10.417 9.120 17.980) 22.693 5.304 ( 7.166 3.592 -4.847) 9.367 5.304 ( 7.166 3.592 4.847) 9.367 5.389 ( 2.615 12.092 -9.374) 15.522 5.389 ( 2.615 12.092 9.374) 15.522 5.475 ( -1.404 6.441 -1.494) 6.759 5.475 ( -1.404 6.441 1.494) 6.759 5.511 ( 2.403 2.906 -2.980) 4.806 5.511 ( 2.403 2.906 2.980) 4.806 5.675 ( 2.899 13.174 -3.906) 14.044 5.675 ( 2.899 13.174 3.906) 14.044 5.777 ( -1.657 7.275 -4.237) 8.580 5.777 ( -1.657 7.275 4.237) 8.580 5.863 ( 4.224 15.171 -4.210) 16.301 5.863 ( 4.224 15.171 4.210) 16.301 5.919 ( 12.366 8.847 -1.014) 15.239 5.919 ( 12.366 8.847 1.014) 15.239 6.063 ( -1.272 6.609 -3.532) 7.600 6.063 ( -1.272 6.609 3.532) 7.600 6.154 ( 2.780 15.651 -10.691) 19.156 6.154 ( 2.780 15.651 10.691) 19.156 6.261 ( -2.649 4.078 -2.651) 5.538 6.261 ( -2.649 4.078 2.651) 5.538 6.347 ( 4.431 10.025 -3.816) 11.606 6.347 ( 4.431 10.025 3.816) 11.606 6.447 ( 9.100 -2.112 -5.312) 10.746 6.447 ( 9.100 -2.112 5.312) 10.746 6.543 ( -2.058 11.624 -1.990) 11.971 6.543 ( -2.058 11.624 1.990) 11.971 6.693 ( 6.832 4.538 -3.562) 8.942 6.693 ( 6.832 4.538 3.562) 8.942 6.763 ( 10.266 6.117 -3.061) 12.336 6.763 ( 10.266 6.117 3.061) 12.336 6.848 ( 4.432 8.926 -2.996) 10.406 6.848 ( 4.432 8.926 2.996) 10.406 6.968 ( -1.314 8.943 -2.870) 9.484 6.968 ( -1.314 8.943 2.870) 9.484 7.083 ( 1.002 3.426 -0.771) 3.652 7.083 ( 1.002 3.426 0.771) 3.652 7.197 ( 17.563 4.641 -2.054) 18.282 7.197 ( 17.563 4.641 2.054) 18.282 7.248 ( 4.973 7.883 -1.925) 9.517 7.248 ( 4.973 7.883 1.925) 9.517 7.332 ( 11.406 5.285 -4.194) 13.252 7.332 ( 11.406 5.285 4.194) 13.252 7.532 ( 5.496 6.065 -3.718) 8.990 7.532 ( 5.496 6.065 3.718) 8.990 7.610 ( 9.492 7.208 -4.958) 12.909 7.610 ( 9.492 7.208 4.958) 12.909 7.785 ( 10.337 5.510 -9.380) 15.007 7.785 ( 10.337 5.510 9.380) 15.007 7.820 ( 9.044 2.523 -5.770) 11.021 7.820 ( 9.044 2.523 5.770) 11.021 8.013 ( 1.936 -0.700 -5.420) 5.798 8.013 ( 1.936 -0.700 5.420) 5.798 8.127 ( 1.386 2.444 -2.446) 3.725 8.127 ( 1.386 2.444 2.446) 3.725 8.277 ( 5.188 1.876 -6.285) 8.363 8.277 ( 5.188 1.876 6.285) 8.363 8.496 ( 6.264 10.108 -1.625) 12.002 8.496 ( 6.264 10.108 1.625) 12.002 8.643 ( -0.623 8.645 -2.829) 9.118 8.643 ( -0.623 8.645 2.829) 9.118 8.747 ( -11.177 3.210 -6.091) 13.127 8.747 ( -11.177 3.210 6.091) 13.127 9.010 ( 11.200 1.161 -3.647) 11.836 9.010 ( 11.200 1.161 3.647) 11.836 9.096 ( 9.781 -0.750 -1.456) 9.918 9.096 ( 9.781 -0.750 1.456) 9.918 9.192 ( 7.141 -1.055 -4.077) 8.291 9.192 ( 7.141 -1.055 4.077) 8.291 9.350 ( 10.785 6.842 -7.925) 15.031 9.350 ( 10.785 6.842 7.925) 15.031 9.418 ( 6.960 -4.301 -5.995) 10.143 9.418 ( 6.960 -4.301 5.995) 10.143 9.633 ( 3.625 5.084 -4.158) 7.502 9.633 ( 3.625 5.084 4.158) 7.502 9.761 ( 8.472 9.731 -7.152) 14.752 9.761 ( 8.472 9.731 7.152) 14.752 9.873 ( 5.222 1.750 -8.912) 10.476 9.873 ( 5.222 1.750 8.912) 10.476 10.002 ( 3.515 4.235 -6.910) 8.834 10.002 ( 3.515 4.235 6.910) 8.834 10.150 ( -0.998 9.696 -2.860) 10.158 10.150 ( -0.998 9.696 2.860) 10.158 10.234 ( 10.460 11.804 -11.825) 19.712 10.234 ( 10.460 11.804 11.825) 19.712 10.503 ( 7.234 -1.493 -6.312) 9.716 10.503 ( 7.234 -1.493 6.312) 9.716 11.056 ( -10.971 -3.115 -0.949) 11.444 11.056 ( -10.971 -3.115 0.949) 11.444 11.248 ( 5.553 7.819 -5.536) 11.073 11.248 ( 5.553 7.819 5.536) 11.073 11.352 ( 1.203 3.059 -1.208) 3.502 11.352 ( 1.203 3.059 1.208) 3.502 11.672 ( -7.777 -4.720 -8.735) 12.612 11.672 ( -7.777 -4.720 8.735) 12.612 11.955 ( -8.656 -10.498 -8.014) 15.791 11.955 ( -8.656 -10.498 8.014) 15.791 12.164 ( -8.447 -4.482 -2.205) 9.813 12.164 ( -8.447 -4.482 2.205) 9.813 12.400 ( -8.726 -10.856 -4.821) 14.739 12.400 ( -8.726 -10.856 4.821) 14.739 12.756 ( -10.035 -7.182 -2.493) 12.590 12.756 ( -10.035 -7.182 2.493) 12.590 12.860 ( -11.135 -9.017 -4.659) 15.067 12.860 ( -11.135 -9.017 4.659) 15.067 13.076 ( -9.181 -2.903 -1.336) 9.721 13.076 ( -9.181 -2.903 1.336) 9.721 13.268 ( -12.050 -14.505 -2.862) 19.073 13.268 ( -12.050 -14.505 2.862) 19.073 13.324 ( -6.403 -9.633 -1.472) 11.660 13.324 ( -6.403 -9.633 1.472) 11.660 13.483 ( -7.017 -5.563 -4.416) 9.985 13.483 ( -7.017 -5.563 4.416) 9.985 13.652 ( -2.413 -4.031 -6.690) 8.175 13.652 ( -2.413 -4.031 6.690) 8.175 13.672 ( -8.519 -7.948 -4.063) 12.339 13.672 ( -8.519 -7.948 4.063) 12.339 13.856 ( 4.575 -11.847 -7.236) 14.617 13.856 ( 4.575 -11.847 7.236) 14.617 13.953 ( 4.190 -8.356 -3.976) 10.158 13.953 ( 4.190 -8.356 3.976) 10.158 14.042 ( 0.654 -7.786 -0.762) 7.851 14.042 ( 0.654 -7.786 0.762) 7.851 14.275 ( 3.753 -7.723 -5.938) 10.440 14.275 ( 3.753 -7.723 5.938) 10.440 14.375 ( 8.046 -13.464 -4.668) 16.365 14.375 ( 8.046 -13.464 4.668) 16.365 14.497 ( 8.979 -9.453 -1.774) 13.158 14.497 ( 8.979 -9.453 1.774) 13.158 14.611 ( 11.326 -11.337 -1.531) 16.098 14.611 ( 11.326 -11.337 1.531) 16.098 15.018 ( 2.317 -12.785 -2.079) 13.158 15.018 ( 2.317 -12.785 2.079) 13.158 15.056 ( -0.427 -7.833 -11.259) 13.722 15.056 ( -0.427 -7.833 11.259) 13.722 15.212 ( 5.503 -3.216 -2.446) 6.827 15.212 ( 5.503 -3.216 2.446) 6.827 15.415 ( 1.683 -7.220 -1.431) 7.551 15.415 ( 1.683 -7.220 1.431) 7.551 15.508 ( -1.808 -1.913 -11.634) 11.928 15.508 ( -1.808 -1.913 11.634) 11.928 15.643 ( 0.422 4.400 -3.025) 5.356 15.643 ( 0.422 4.400 3.025) 5.356 15.679 ( -1.553 17.466 -1.225) 17.578 15.679 ( -1.553 17.466 1.225) 17.578 15.943 ( -2.878 15.051 -2.717) 15.563 15.943 ( -2.878 15.051 2.717) 15.563 16.031 ( 3.134 13.503 -1.323) 13.925 16.031 ( 3.134 13.503 1.323) 13.925 16.658 ( 6.518 15.611 -0.533) 16.925 16.658 ( 6.518 15.611 0.533) 16.925 16.781 ( 2.639 20.192 -0.569) 20.371 16.781 ( 2.639 20.192 0.569) 20.371 19.009 ( -15.866 -22.193 -16.010) 31.632 19.009 ( -15.866 -22.193 16.010) 31.632 21.321 ( 8.229 -8.473 -27.940) 30.334 21.321 ( 8.229 -8.473 27.940) 30.334 21.897 ( -7.343 -30.368 -3.636) 31.454 21.897 ( -7.343 -30.368 3.636) 31.454 22.097 ( 0.074 -18.741 -14.670) 23.800 22.097 ( 0.074 -18.741 14.670) 23.800 23.065 ( 4.694 -6.431 -4.267) 9.034 23.065 ( 4.694 -6.431 4.267) 9.034 23.483 ( 2.654 -10.234 -0.869) 10.609 23.483 ( 2.654 -10.234 0.869) 10.609 23.660 ( 1.773 -10.858 -1.043) 11.052 23.660 ( 1.773 -10.858 1.043) 11.052 ======================= Grid point 103 (33/50) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 24.797 4.054 -8.411) 26.497 1.652 ( 24.797 4.054 8.411) 26.497 2.276 ( 30.594 17.665 -15.685) 38.653 2.276 ( 30.594 17.665 15.685) 38.653 2.697 ( 12.846 1.788 -7.403) 14.934 2.697 ( 12.846 1.788 7.403) 14.934 3.057 ( 14.269 11.425 -14.598) 23.393 3.057 ( 14.269 11.425 14.598) 23.393 3.304 ( 17.997 12.114 -29.579) 36.682 3.304 ( 17.997 12.114 29.579) 36.682 3.492 ( 0.637 2.190 -10.392) 10.639 3.492 ( 0.637 2.190 10.392) 10.639 3.814 ( 6.353 2.093 -7.756) 10.242 3.814 ( 6.353 2.093 7.756) 10.242 3.916 ( 11.642 10.934 -8.754) 18.214 3.916 ( 11.642 10.934 8.754) 18.214 4.094 ( -1.050 2.950 -7.903) 8.500 4.094 ( -1.050 2.950 7.903) 8.500 4.178 ( 0.879 1.807 -2.908) 3.535 4.178 ( 0.879 1.807 2.908) 3.535 4.290 ( -3.716 2.653 -10.665) 11.601 4.290 ( -3.716 2.653 10.665) 11.601 4.428 ( 0.234 3.954 -6.160) 7.323 4.428 ( 0.234 3.954 6.160) 7.323 4.532 ( -16.836 4.895 -2.174) 17.668 4.532 ( -16.836 4.895 2.174) 17.668 4.622 ( -2.225 -0.781 -2.392) 3.359 4.622 ( -2.225 -0.781 2.392) 3.359 4.735 ( 0.841 3.438 -5.311) 6.382 4.735 ( 0.841 3.438 5.311) 6.382 4.878 ( 0.486 6.181 -7.415) 9.665 4.878 ( 0.486 6.181 7.415) 9.665 4.932 ( 2.207 8.272 -10.499) 13.547 4.932 ( 2.207 8.272 10.499) 13.547 5.134 ( -6.150 1.433 -5.354) 8.279 5.134 ( -6.150 1.433 5.354) 8.279 5.325 ( -3.138 0.416 -6.607) 7.326 5.325 ( -3.138 0.416 6.607) 7.326 5.424 ( 2.821 2.871 -3.043) 5.046 5.424 ( 2.821 2.871 3.043) 5.046 5.563 ( 2.813 6.992 -4.069) 8.565 5.563 ( 2.813 6.992 4.069) 8.565 5.610 ( 10.489 8.621 -10.447) 17.131 5.610 ( 10.489 8.621 10.447) 17.131 5.712 ( 3.916 12.655 -2.146) 13.420 5.712 ( 3.916 12.655 2.146) 13.420 5.867 ( 8.901 0.727 -6.368) 10.968 5.867 ( 8.901 0.727 6.368) 10.968 5.956 ( 7.142 6.431 -5.528) 11.087 5.956 ( 7.142 6.431 5.528) 11.087 6.050 ( -3.743 2.842 -4.858) 6.759 6.050 ( -3.743 2.842 4.858) 6.759 6.140 ( 5.115 6.471 -0.560) 8.267 6.140 ( 5.115 6.471 0.560) 8.267 6.201 ( 8.090 9.720 -3.352) 13.083 6.201 ( 8.090 9.720 3.352) 13.083 6.326 ( 3.719 11.281 -5.821) 13.228 6.326 ( 3.719 11.281 5.821) 13.228 6.374 ( 2.357 12.839 -3.930) 13.632 6.374 ( 2.357 12.839 3.930) 13.632 6.485 ( 3.616 5.433 -4.486) 7.919 6.485 ( 3.616 5.433 4.486) 7.919 6.572 ( 0.407 0.462 -5.469) 5.504 6.572 ( 0.407 0.462 5.469) 5.504 6.742 ( -5.115 5.771 -9.291) 12.074 6.742 ( -5.115 5.771 9.291) 12.074 6.888 ( 7.895 3.790 -2.818) 9.199 6.888 ( 7.895 3.790 2.818) 9.199 6.974 ( 10.864 10.841 -2.701) 15.584 6.974 ( 10.864 10.841 2.701) 15.584 7.035 ( 2.878 9.921 -0.904) 10.369 7.035 ( 2.878 9.921 0.904) 10.369 7.270 ( 13.575 1.966 -4.277) 14.368 7.270 ( 13.575 1.966 4.277) 14.368 7.428 ( 16.855 6.748 -5.095) 18.857 7.428 ( 16.855 6.748 5.095) 18.857 7.553 ( 4.236 4.249 -4.544) 7.526 7.553 ( 4.236 4.249 4.544) 7.526 7.625 ( 15.630 8.744 -3.543) 18.257 7.625 ( 15.630 8.744 3.543) 18.257 7.693 ( 0.786 1.339 -10.039) 10.158 7.693 ( 0.786 1.339 10.039) 10.158 7.873 ( 14.242 2.306 -11.510) 18.457 7.873 ( 14.242 2.306 11.510) 18.457 7.934 ( 7.244 2.202 -6.370) 9.894 7.934 ( 7.244 2.202 6.370) 9.894 8.081 ( 2.885 2.391 -7.016) 7.954 8.081 ( 2.885 2.391 7.016) 7.954 8.160 ( 17.870 1.246 -10.163) 20.596 8.160 ( 17.870 1.246 10.163) 20.596 8.234 ( 2.831 5.784 -3.591) 7.373 8.234 ( 2.831 5.784 3.591) 7.373 8.370 ( 17.284 6.876 -5.288) 19.338 8.370 ( 17.284 6.876 5.288) 19.338 8.584 ( 8.734 3.053 -8.536) 12.588 8.584 ( 8.734 3.053 8.536) 12.588 8.734 ( 13.811 6.599 -2.633) 15.532 8.734 ( 13.811 6.599 2.633) 15.532 8.895 ( 21.389 11.142 -4.049) 24.454 8.895 ( 21.389 11.142 4.049) 24.454 9.173 ( 3.380 4.561 -4.669) 7.351 9.173 ( 3.380 4.561 4.669) 7.351 9.273 ( 10.793 -0.134 -1.125) 10.853 9.273 ( 10.793 -0.134 1.125) 10.853 9.441 ( 12.047 4.796 -4.477) 13.718 9.441 ( 12.047 4.796 4.477) 13.718 9.537 ( 5.693 -6.091 -2.177) 8.617 9.537 ( 5.693 -6.091 2.177) 8.617 9.632 ( 8.739 1.550 -3.846) 9.673 9.632 ( 8.739 1.550 3.846) 9.673 9.757 ( 7.547 7.043 -0.888) 10.361 9.757 ( 7.547 7.043 0.888) 10.361 9.825 ( 4.341 0.731 -1.841) 4.771 9.825 ( 4.341 0.731 1.841) 4.771 10.075 ( 13.186 1.500 -2.990) 13.604 10.075 ( 13.186 1.500 2.990) 13.604 10.213 ( 11.829 1.164 -3.597) 12.418 10.213 ( 11.829 1.164 3.597) 12.418 10.239 ( 12.145 2.543 -6.141) 13.845 10.239 ( 12.145 2.543 6.141) 13.845 10.420 ( 4.449 2.834 -8.042) 9.618 10.420 ( 4.449 2.834 8.042) 9.618 10.714 ( 4.799 -2.386 -9.042) 10.511 10.714 ( 4.799 -2.386 9.042) 10.511 10.878 ( 2.425 2.512 -5.352) 6.390 10.878 ( 2.425 2.512 5.352) 6.390 11.177 ( -9.068 -0.608 -1.542) 9.219 11.177 ( -9.068 -0.608 1.542) 9.219 11.438 ( -8.305 -6.990 -3.855) 11.519 11.438 ( -8.305 -6.990 3.855) 11.519 11.547 ( 5.498 8.400 -4.110) 10.848 11.547 ( 5.498 8.400 4.110) 10.848 11.767 ( -9.160 -4.802 -1.676) 10.478 11.767 ( -9.160 -4.802 1.676) 10.478 11.917 ( -7.580 -6.840 -7.983) 12.961 11.917 ( -7.580 -6.840 7.983) 12.961 12.156 ( -15.608 -6.938 -1.964) 17.193 12.156 ( -15.608 -6.938 1.964) 17.193 12.465 ( -17.615 -4.700 -5.031) 18.912 12.465 ( -17.615 -4.700 5.031) 18.912 12.562 ( -19.397 -5.620 -2.293) 20.325 12.562 ( -19.397 -5.620 2.293) 20.325 12.778 ( -16.469 -4.533 -4.098) 17.567 12.778 ( -16.469 -4.533 4.098) 17.567 12.925 ( -16.461 -5.795 -2.182) 17.587 12.925 ( -16.461 -5.795 2.182) 17.587 13.115 ( -13.239 -1.724 -0.569) 13.363 13.115 ( -13.239 -1.724 0.569) 13.363 13.319 ( -22.697 -7.420 -2.228) 23.983 13.319 ( -22.697 -7.420 2.228) 23.983 13.482 ( 2.263 -6.208 -5.989) 8.918 13.482 ( 2.263 -6.208 5.989) 8.918 13.630 ( -0.200 -3.765 -6.673) 7.664 13.630 ( -0.200 -3.765 6.673) 7.664 13.931 ( 2.760 -8.888 -4.416) 10.301 13.931 ( 2.760 -8.888 4.416) 10.301 14.003 ( 4.223 -13.061 -3.823) 14.249 14.003 ( 4.223 -13.061 3.823) 14.249 14.203 ( 8.919 -9.289 -5.624) 14.052 14.203 ( 8.919 -9.289 5.624) 14.052 14.397 ( 7.739 -1.259 -8.850) 11.824 14.397 ( 7.739 -1.259 8.850) 11.824 14.582 ( 9.902 -9.680 -1.329) 13.912 14.582 ( 9.902 -9.680 1.329) 13.912 14.684 ( 9.268 -10.974 -1.421) 14.434 14.684 ( 9.268 -10.974 1.421) 14.434 14.807 ( 7.367 -11.930 -2.843) 14.307 14.807 ( 7.367 -11.930 2.843) 14.307 15.031 ( 0.813 -7.976 -5.342) 9.634 15.031 ( 0.813 -7.976 5.342) 9.634 15.112 ( 4.033 -3.689 -10.190) 11.563 15.112 ( 4.033 -3.689 10.190) 11.563 15.300 ( 3.181 -3.965 -5.353) 7.382 15.300 ( 3.181 -3.965 5.353) 7.382 15.425 ( -2.895 -3.719 -4.958) 6.840 15.425 ( -2.895 -3.719 4.958) 6.840 15.512 ( 3.782 2.150 -7.506) 8.676 15.512 ( 3.782 2.150 7.506) 8.676 15.645 ( -0.176 17.875 -0.671) 17.889 15.645 ( -0.176 17.875 0.671) 17.889 15.741 ( 5.801 0.961 -2.610) 6.434 15.741 ( 5.801 0.961 2.610) 6.434 15.909 ( -0.357 17.781 -6.538) 18.948 15.909 ( -0.357 17.781 6.538) 18.948 16.101 ( 3.336 18.532 -1.029) 18.858 16.101 ( 3.336 18.532 1.029) 18.858 16.696 ( -2.099 26.991 -1.547) 27.116 16.696 ( -2.099 26.991 1.547) 27.116 16.817 ( 0.879 21.470 -1.177) 21.521 16.817 ( 0.879 21.470 1.177) 21.521 18.575 ( -24.305 -19.266 -9.353) 32.395 18.575 ( -24.305 -19.266 9.353) 32.395 21.587 ( 17.219 -24.223 -14.749) 33.177 21.587 ( 17.219 -24.223 14.749) 33.177 21.925 ( 9.626 -30.029 -0.684) 31.541 21.925 ( 9.626 -30.029 0.684) 31.541 22.174 ( 7.422 -25.005 -8.569) 27.455 22.174 ( 7.422 -25.005 8.569) 27.455 23.094 ( -1.926 -7.185 -3.519) 8.229 23.094 ( -1.926 -7.185 3.519) 8.229 23.511 ( -0.632 -11.162 -1.599) 11.293 23.511 ( -0.632 -11.162 1.599) 11.293 23.674 ( -1.336 -11.433 -2.446) 11.768 23.674 ( -1.336 -11.433 2.446) 11.768 ======================= Grid point 105 (34/50) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 10.529 -0.359 -13.440) 17.077 2.017 ( 10.529 -0.359 13.440) 17.077 2.801 ( 13.366 2.242 -13.230) 18.940 2.801 ( 13.366 2.242 13.230) 18.940 2.949 ( 9.210 -0.961 -15.336) 17.915 2.949 ( 9.210 -0.961 15.336) 17.915 3.136 ( -0.624 4.271 -3.122) 5.327 3.136 ( -0.624 4.271 3.122) 5.327 3.359 ( -7.238 1.018 -7.760) 10.660 3.359 ( -7.238 1.018 7.760) 10.660 3.552 ( 3.467 7.044 -15.067) 16.990 3.552 ( 3.467 7.044 15.067) 16.990 3.725 ( -4.500 2.085 -3.768) 6.229 3.725 ( -4.500 2.085 3.768) 6.229 3.912 ( -4.924 1.710 -10.364) 11.601 3.912 ( -4.924 1.710 10.364) 11.601 4.079 ( -0.406 5.316 -6.174) 8.157 4.079 ( -0.406 5.316 6.174) 8.157 4.149 ( -2.556 5.606 -0.320) 6.170 4.149 ( -2.556 5.606 0.320) 6.170 4.201 ( -7.249 7.040 -3.670) 10.751 4.201 ( -7.249 7.040 3.670) 10.751 4.340 ( -0.581 -0.297 -5.812) 5.848 4.340 ( -0.581 -0.297 5.812) 5.848 4.441 ( -7.139 5.734 -4.941) 10.405 4.441 ( -7.139 5.734 4.941) 10.405 4.636 ( 4.091 4.700 -2.971) 6.903 4.636 ( 4.091 4.700 2.971) 6.903 4.699 ( -7.965 11.722 -11.930) 18.525 4.699 ( -7.965 11.722 11.930) 18.525 4.860 ( -1.354 -1.397 -6.452) 6.739 4.860 ( -1.354 -1.397 6.452) 6.739 4.915 ( 2.674 3.221 -3.467) 5.436 4.915 ( 2.674 3.221 3.467) 5.436 5.123 ( 0.918 -2.747 -4.540) 5.385 5.123 ( 0.918 -2.747 4.540) 5.385 5.264 ( 2.056 -1.089 -5.666) 6.125 5.264 ( 2.056 -1.089 5.666) 6.125 5.463 ( 1.112 3.538 -2.451) 4.445 5.463 ( 1.112 3.538 2.451) 4.445 5.653 ( 0.561 1.512 -1.204) 2.013 5.653 ( 0.561 1.512 1.204) 2.013 5.739 ( -0.193 1.440 -0.429) 1.515 5.739 ( -0.193 1.440 0.429) 1.515 5.816 ( 0.599 3.973 -2.333) 4.647 5.816 ( 0.599 3.973 2.333) 4.647 5.903 ( -2.246 0.527 -0.933) 2.489 5.903 ( -2.246 0.527 0.933) 2.489 6.022 ( 1.011 1.998 -4.200) 4.760 6.022 ( 1.011 1.998 4.200) 4.760 6.035 ( 1.718 5.818 -1.291) 6.202 6.035 ( 1.718 5.818 1.291) 6.202 6.196 ( -4.327 5.572 -1.008) 7.126 6.196 ( -4.327 5.572 1.008) 7.126 6.264 ( 8.910 4.280 -8.792) 13.229 6.264 ( 8.910 4.280 8.792) 13.229 6.387 ( -0.559 7.413 -0.568) 7.455 6.387 ( -0.559 7.413 0.568) 7.455 6.557 ( 6.746 7.198 -4.848) 10.992 6.557 ( 6.746 7.198 4.848) 10.992 6.661 ( 14.195 9.150 -1.711) 16.975 6.661 ( 14.195 9.150 1.711) 16.975 6.713 ( 13.759 9.309 -3.337) 16.944 6.713 ( 13.759 9.309 3.337) 16.944 6.878 ( 14.378 2.534 -7.232) 16.293 6.878 ( 14.378 2.534 7.232) 16.293 7.005 ( 5.132 7.243 -5.024) 10.200 7.005 ( 5.132 7.243 5.024) 10.200 7.098 ( 11.312 8.412 -4.447) 14.781 7.098 ( 11.312 8.412 4.447) 14.781 7.276 ( 9.756 3.694 -4.161) 11.231 7.276 ( 9.756 3.694 4.161) 11.231 7.392 ( 0.755 3.072 -5.168) 6.059 7.392 ( 0.755 3.072 5.168) 6.059 7.533 ( -3.544 -0.290 -5.171) 6.276 7.533 ( -3.544 -0.290 5.171) 6.276 7.588 ( 5.172 3.361 -6.741) 9.138 7.588 ( 5.172 3.361 6.741) 9.138 7.727 ( -4.756 3.660 -2.252) 6.410 7.727 ( -4.756 3.660 2.252) 6.410 7.818 ( 2.691 0.467 -5.726) 6.344 7.818 ( 2.691 0.467 5.726) 6.344 7.997 ( 2.682 1.859 -10.426) 10.925 7.997 ( 2.682 1.859 10.426) 10.925 8.054 ( 4.327 0.093 -6.738) 8.008 8.054 ( 4.327 0.093 6.738) 8.008 8.327 ( 14.664 7.932 -4.533) 17.277 8.327 ( 14.664 7.932 4.533) 17.277 8.492 ( 31.746 8.599 -1.138) 32.910 8.492 ( 31.746 8.599 1.138) 32.910 8.567 ( 18.169 0.769 -17.069) 24.941 8.567 ( 18.169 0.769 17.069) 24.941 8.798 ( 20.314 5.568 -3.972) 21.435 8.798 ( 20.314 5.568 3.972) 21.435 8.948 ( 17.186 4.658 -10.539) 20.691 8.948 ( 17.186 4.658 10.539) 20.691 9.064 ( 23.301 4.476 -4.083) 24.076 9.064 ( 23.301 4.476 4.083) 24.076 9.176 ( 0.987 7.024 -2.375) 7.480 9.176 ( 0.987 7.024 2.375) 7.480 9.384 ( 2.013 -1.131 -7.692) 8.031 9.384 ( 2.013 -1.131 7.692) 8.031 9.445 ( 5.082 -0.844 -6.775) 8.511 9.445 ( 5.082 -0.844 6.775) 8.511 9.577 ( 14.173 -0.971 -3.916) 14.736 9.577 ( 14.173 -0.971 3.916) 14.736 9.654 ( 6.996 6.534 -1.113) 9.638 9.654 ( 6.996 6.534 1.113) 9.638 9.777 ( 6.786 2.404 -2.055) 7.487 9.777 ( 6.786 2.404 2.055) 7.487 9.957 ( 14.747 5.518 -9.939) 18.621 9.957 ( 14.747 5.518 9.939) 18.621 10.059 ( 5.925 -8.337 -4.697) 11.255 10.059 ( 5.925 -8.337 4.697) 11.255 10.209 ( 0.096 -6.522 -1.666) 6.732 10.209 ( 0.096 -6.522 1.666) 6.732 10.431 ( 2.458 2.377 -0.518) 3.458 10.431 ( 2.458 2.377 0.518) 3.458 10.461 ( 13.153 0.648 -3.738) 13.689 10.461 ( 13.153 0.648 3.738) 13.689 10.577 ( 1.135 5.802 -1.823) 6.186 10.577 ( 1.135 5.802 1.823) 6.186 10.675 ( 11.873 -5.160 -6.929) 14.683 10.675 ( 11.873 -5.160 6.929) 14.683 10.935 ( -8.341 -7.422 -0.377) 11.172 10.935 ( -8.341 -7.422 0.377) 11.172 11.074 ( -0.740 -5.537 -2.748) 6.226 11.074 ( -0.740 -5.537 2.748) 6.226 11.271 ( -2.849 -1.713 -3.082) 4.534 11.271 ( -2.849 -1.713 3.082) 4.534 11.500 ( -4.906 -1.194 -1.275) 5.208 11.500 ( -4.906 -1.194 1.275) 5.208 11.603 ( -8.254 2.511 -5.107) 10.026 11.603 ( -8.254 2.511 5.107) 10.026 11.822 ( -18.566 -2.776 -3.522) 19.100 11.822 ( -18.566 -2.776 3.522) 19.100 11.881 ( -7.070 3.376 -2.655) 8.272 11.881 ( -7.070 3.376 2.655) 8.272 12.082 ( -19.454 -0.801 -5.365) 20.196 12.082 ( -19.454 -0.801 5.365) 20.196 12.292 ( -18.051 -4.983 -4.541) 19.268 12.292 ( -18.051 -4.983 4.541) 19.268 12.404 ( 3.970 -0.024 -2.018) 4.453 12.404 ( 3.970 -0.024 2.018) 4.453 12.630 ( -20.217 -1.995 -5.426) 21.028 12.630 ( -20.217 -1.995 5.426) 21.028 12.738 ( -17.044 -2.170 -4.705) 17.814 12.738 ( -17.044 -2.170 4.705) 17.814 12.871 ( -13.672 7.707 -2.883) 15.957 12.871 ( -13.672 7.707 2.883) 15.957 13.517 ( -1.780 -6.785 -5.046) 8.641 13.517 ( -1.780 -6.785 5.046) 8.641 13.670 ( 4.520 -5.714 -1.352) 7.410 13.670 ( 4.520 -5.714 1.352) 7.410 13.948 ( -1.284 -6.976 -3.667) 7.985 13.948 ( -1.284 -6.976 3.667) 7.985 14.152 ( 9.100 -13.007 -0.891) 15.899 14.152 ( 9.100 -13.007 0.891) 15.899 14.337 ( 4.412 -7.259 -3.998) 9.389 14.337 ( 4.412 -7.259 3.998) 9.389 14.556 ( 6.479 1.714 -9.915) 11.968 14.556 ( 6.479 1.714 9.915) 11.968 14.759 ( 7.804 -4.039 -2.988) 9.281 14.759 ( 7.804 -4.039 2.988) 9.281 14.838 ( 2.609 -6.500 -4.013) 8.072 14.838 ( 2.609 -6.500 4.013) 8.072 14.929 ( 6.057 -9.951 -2.669) 11.951 14.929 ( 6.057 -9.951 2.669) 11.951 15.078 ( 3.159 -3.324 -4.387) 6.346 15.078 ( 3.159 -3.324 4.387) 6.346 15.194 ( 2.855 1.587 -7.518) 8.197 15.194 ( 2.855 1.587 7.518) 8.197 15.298 ( -1.447 -5.544 -6.014) 8.307 15.298 ( -1.447 -5.544 6.014) 8.307 15.441 ( 3.804 -4.331 -2.139) 6.148 15.441 ( 3.804 -4.331 2.139) 6.148 15.531 ( -1.498 11.237 -3.894) 11.986 15.531 ( -1.498 11.237 3.894) 11.986 15.667 ( 1.235 12.871 -1.489) 13.016 15.667 ( 1.235 12.871 1.489) 13.016 15.847 ( 4.308 4.671 -1.526) 6.535 15.847 ( 4.308 4.671 1.526) 6.535 15.913 ( 0.274 16.005 -4.702) 16.683 15.913 ( 0.274 16.005 4.702) 16.683 16.179 ( 3.895 22.568 -1.910) 22.981 16.179 ( 3.895 22.568 1.910) 22.981 16.589 ( -7.629 28.258 -1.088) 29.289 16.589 ( -7.629 28.258 1.088) 29.289 16.872 ( 6.258 11.584 -2.040) 13.324 16.872 ( 6.258 11.584 2.040) 13.324 18.057 ( -25.112 -14.261 -2.475) 28.985 18.057 ( -25.112 -14.261 2.475) 28.985 21.995 ( 20.523 -32.168 -4.295) 38.398 21.995 ( 20.523 -32.168 4.295) 38.398 22.227 ( 17.764 -25.541 -1.315) 31.138 22.227 ( 17.764 -25.541 1.315) 31.138 22.414 ( 15.907 -20.147 -3.458) 25.901 22.414 ( 15.907 -20.147 3.458) 25.901 22.997 ( -6.938 -12.799 -2.940) 14.852 22.997 ( -6.938 -12.799 2.940) 14.852 23.433 ( -7.264 -13.942 -1.423) 15.785 23.433 ( -7.264 -13.942 1.423) 15.785 23.573 ( -8.976 -12.482 -3.313) 15.727 23.573 ( -8.976 -12.482 3.313) 15.727 ======================= Grid point 107 (35/50) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 12.573 -1.861 -3.953) 13.310 2.218 ( 12.573 -1.861 3.953) 13.310 2.584 ( -21.048 -3.492 -12.584) 24.771 2.584 ( -21.048 -3.492 12.584) 24.771 3.085 ( 2.750 -5.266 -5.257) 7.933 3.085 ( 2.750 -5.266 5.257) 7.933 3.134 ( -2.617 -5.179 -2.270) 6.231 3.134 ( -2.617 -5.179 2.271) 6.231 3.387 ( 5.829 3.911 -1.650) 7.211 3.387 ( 5.829 3.911 1.650) 7.211 3.532 ( -5.740 3.142 -5.328) 8.438 3.532 ( -5.740 3.142 5.328) 8.438 3.706 ( 9.585 5.605 -8.071) 13.727 3.706 ( 9.585 5.605 8.071) 13.727 3.931 ( 2.320 2.455 -10.821) 11.336 3.931 ( 2.320 2.455 10.821) 11.336 4.033 ( -6.109 7.499 -4.488) 10.663 4.033 ( -6.109 7.499 4.488) 10.663 4.044 ( -5.620 4.133 -9.015) 11.399 4.044 ( -5.620 4.133 9.015) 11.399 4.187 ( -1.158 9.672 -1.180) 9.813 4.187 ( -1.158 9.672 1.180) 9.813 4.252 ( -3.478 9.177 -8.649) 13.081 4.252 ( -3.478 9.177 8.649) 13.081 4.381 ( 5.977 4.240 -9.067) 11.658 4.381 ( 5.977 4.240 9.067) 11.658 4.560 ( -7.815 5.369 -12.887) 16.000 4.560 ( -7.815 5.369 12.887) 16.000 4.728 ( 6.359 1.919 -3.878) 7.692 4.728 ( 6.359 1.919 3.878) 7.692 4.853 ( -1.297 -0.270 -3.298) 3.554 4.853 ( -1.297 -0.270 3.298) 3.554 5.037 ( 6.053 -0.346 -5.695) 8.318 5.037 ( 6.053 -0.346 5.695) 8.318 5.085 ( 2.644 -0.182 -4.764) 5.452 5.085 ( 2.644 -0.182 4.764) 5.452 5.305 ( -1.552 1.600 -0.732) 2.346 5.305 ( -1.552 1.600 0.732) 2.346 5.420 ( -10.985 0.798 -2.631) 11.324 5.420 ( -10.985 0.798 2.631) 11.324 5.610 ( 4.700 0.052 -2.807) 5.475 5.610 ( 4.700 0.052 2.807) 5.475 5.709 ( -2.982 0.221 -1.693) 3.436 5.709 ( -2.982 0.221 1.693) 3.436 5.792 ( -0.200 0.966 -3.295) 3.439 5.792 ( -0.200 0.966 3.295) 3.439 5.835 ( -3.291 -0.201 -1.512) 3.627 5.835 ( -3.291 -0.201 1.512) 3.627 5.978 ( -1.088 3.559 -4.359) 5.732 5.978 ( -1.088 3.559 4.359) 5.732 6.017 ( -3.631 3.997 -3.351) 6.355 6.017 ( -3.631 3.997 3.351) 6.355 6.151 ( 1.456 7.073 -0.790) 7.264 6.151 ( 1.456 7.073 0.790) 7.264 6.229 ( -5.303 6.200 -2.318) 8.481 6.229 ( -5.303 6.200 2.318) 8.481 6.561 ( 9.389 2.265 -12.811) 16.044 6.561 ( 9.389 2.265 12.811) 16.044 6.681 ( -0.653 2.068 -9.978) 10.211 6.681 ( -0.653 2.068 9.978) 10.211 6.886 ( 5.460 6.478 -2.197) 8.753 6.886 ( 5.460 6.478 2.197) 8.753 6.950 ( 0.798 4.416 -3.902) 5.947 6.950 ( 0.798 4.416 3.902) 5.947 7.069 ( 7.763 9.729 -4.309) 13.171 7.069 ( 7.763 9.729 4.309) 13.171 7.155 ( 5.579 7.959 -2.207) 9.967 7.155 ( 5.579 7.959 2.207) 9.967 7.285 ( 5.247 5.853 -2.145) 8.148 7.285 ( 5.247 5.853 2.145) 8.148 7.342 ( 6.130 4.249 -2.525) 7.875 7.342 ( 6.130 4.249 2.525) 7.875 7.452 ( 0.787 2.156 -3.520) 4.202 7.452 ( 0.787 2.156 3.520) 4.202 7.549 ( 8.168 -0.496 -5.129) 9.658 7.549 ( 8.168 -0.496 5.129) 9.658 7.637 ( -1.932 2.726 -4.572) 5.663 7.637 ( -1.932 2.726 4.572) 5.663 7.730 ( -3.382 0.819 -2.100) 4.064 7.730 ( -3.382 0.819 2.100) 4.064 7.837 ( -1.131 1.186 -11.038) 11.159 7.837 ( -1.131 1.186 11.038) 11.159 7.994 ( 4.080 0.156 -7.458) 8.503 7.994 ( 4.080 0.156 7.458) 8.503 8.213 ( 12.361 1.282 -13.227) 18.149 8.213 ( 12.361 1.282 13.227) 18.149 8.619 ( -10.852 -1.686 -5.880) 12.457 8.619 ( -10.852 -1.686 5.880) 12.457 8.791 ( 17.979 2.567 -1.584) 18.230 8.791 ( 17.979 2.567 1.584) 18.230 8.957 ( 13.399 1.222 -2.208) 13.635 8.957 ( 13.399 1.222 2.208) 13.635 9.046 ( 1.300 3.878 -6.556) 7.727 9.046 ( 1.300 3.878 6.556) 7.727 9.183 ( 4.478 -1.672 -3.761) 6.083 9.183 ( 4.478 -1.672 3.761) 6.083 9.275 ( 11.501 1.920 -9.208) 14.858 9.275 ( 11.501 1.920 9.208) 14.858 9.375 ( -5.676 -3.371 -7.914) 10.306 9.375 ( -5.676 -3.371 7.914) 10.306 9.477 ( 13.899 1.516 -3.917) 14.520 9.477 ( 13.899 1.516 3.917) 14.520 9.618 ( 12.807 3.873 -1.831) 13.505 9.618 ( 12.807 3.873 1.831) 13.505 9.707 ( -1.171 -3.459 -1.592) 3.983 9.707 ( -1.171 -3.459 1.592) 3.983 9.803 ( -3.321 -0.226 -5.763) 6.656 9.803 ( -3.321 -0.226 5.763) 6.656 10.003 ( -10.903 -1.248 -3.707) 11.584 10.003 ( -10.903 -1.248 3.707) 11.584 10.058 ( 19.090 4.452 -1.251) 19.642 10.058 ( 19.090 4.452 1.251) 19.642 10.121 ( 2.913 0.839 -2.148) 3.715 10.121 ( 2.913 0.839 2.148) 3.715 10.248 ( 5.969 -3.921 -0.940) 7.203 10.248 ( 5.969 -3.921 0.940) 7.203 10.511 ( 1.536 -5.830 -2.794) 6.645 10.511 ( 1.536 -5.830 2.794) 6.645 10.532 ( 16.366 -0.630 -8.655) 18.524 10.532 ( 16.366 -0.630 8.655) 18.524 10.731 ( -1.499 -2.457 -1.652) 3.319 10.731 ( -1.499 -2.457 1.652) 3.319 10.813 ( -1.431 -3.229 -1.225) 3.738 10.813 ( -1.431 -3.229 1.225) 3.738 10.902 ( 11.443 3.706 -1.701) 12.148 10.902 ( 11.443 3.706 1.701) 12.148 11.099 ( 8.892 -2.418 -3.411) 9.826 11.099 ( 8.892 -2.418 3.411) 9.825 11.204 ( -17.685 -2.659 -3.530) 18.229 11.204 ( -17.685 -2.659 3.530) 18.229 11.272 ( -18.643 -0.444 -5.755) 19.517 11.272 ( -18.643 -0.444 5.755) 19.517 11.403 ( -9.855 -0.339 -5.576) 11.328 11.403 ( -9.855 -0.339 5.576) 11.328 11.526 ( -4.930 -0.210 -5.012) 7.033 11.526 ( -4.930 -0.210 5.012) 7.033 11.631 ( -14.286 -2.252 -0.888) 14.490 11.631 ( -14.286 -2.252 0.888) 14.490 11.772 ( -13.411 -1.987 -4.254) 14.209 11.772 ( -13.411 -1.987 4.254) 14.209 12.007 ( 2.998 1.789 -1.766) 3.913 12.007 ( 2.998 1.789 1.766) 3.913 12.259 ( 8.854 12.557 -0.316) 15.368 12.259 ( 8.854 12.557 0.316) 15.368 12.358 ( -17.733 0.926 -6.062) 18.763 12.358 ( -17.733 0.926 6.062) 18.763 12.550 ( -14.457 10.496 -1.346) 17.916 12.550 ( -14.457 10.496 1.346) 17.916 13.003 ( 22.689 0.597 -5.965) 23.467 13.003 ( 22.689 0.597 5.965) 23.467 13.377 ( -12.304 -3.349 -6.561) 14.341 13.377 ( -12.304 -3.349 6.561) 14.341 13.779 ( 5.437 -6.414 -2.086) 8.663 13.779 ( 5.437 -6.414 2.086) 8.663 13.885 ( -4.478 -6.857 -0.860) 8.235 13.885 ( -4.478 -6.857 0.860) 8.235 14.327 ( 6.522 -9.893 -0.138) 11.850 14.327 ( 6.522 -9.893 0.138) 11.850 14.389 ( 0.295 -7.729 -0.471) 7.749 14.389 ( 0.295 -7.729 0.471) 7.749 14.672 ( 5.463 -1.433 -4.072) 6.963 14.672 ( 5.463 -1.433 4.072) 6.963 14.788 ( -4.938 -3.853 -5.799) 8.535 14.788 ( -4.938 -3.853 5.799) 8.535 14.918 ( 6.277 -0.848 -0.710) 6.373 14.918 ( 6.277 -0.848 0.710) 6.373 15.005 ( -0.860 -5.970 -2.995) 6.735 15.005 ( -0.860 -5.970 2.995) 6.735 15.135 ( 2.526 2.639 -0.997) 3.787 15.135 ( 2.526 2.639 0.997) 3.787 15.177 ( -1.816 2.054 -0.712) 2.833 15.177 ( -1.816 2.054 0.712) 2.833 15.364 ( 4.781 -1.222 -6.418) 8.096 15.364 ( 4.781 -1.222 6.418) 8.096 15.442 ( -2.953 2.215 -2.619) 4.526 15.442 ( -2.953 2.215 2.619) 4.526 15.564 ( 4.287 9.105 -0.850) 10.099 15.564 ( 4.287 9.105 0.850) 10.099 15.649 ( -3.132 12.804 -2.089) 13.346 15.649 ( -3.132 12.804 2.089) 13.346 15.908 ( 1.922 12.316 -1.966) 12.620 15.908 ( 1.922 12.316 1.966) 12.620 15.932 ( 0.729 10.660 -0.964) 10.728 15.932 ( 0.729 10.660 0.964) 10.728 16.255 ( 4.778 23.108 -2.569) 23.736 16.255 ( 4.778 23.108 2.569) 23.736 16.408 ( -9.113 24.317 -2.322) 26.073 16.408 ( -9.113 24.317 2.322) 26.073 17.123 ( 17.583 -0.537 -4.292) 18.108 17.123 ( 17.583 -0.537 4.292) 18.108 17.554 ( -23.130 -8.118 -2.914) 24.686 17.554 ( -23.130 -8.118 2.914) 24.686 22.369 ( 14.925 -29.893 -1.221) 33.434 22.369 ( 14.925 -29.893 1.221) 33.434 22.535 ( 4.783 -21.118 -2.094) 21.753 22.535 ( 4.783 -21.118 2.094) 21.753 22.797 ( 18.417 -15.093 -0.785) 23.824 22.797 ( 18.417 -15.093 0.785) 23.824 22.888 ( 1.601 -20.167 -2.078) 20.337 22.888 ( 1.601 -20.167 2.078) 20.337 23.223 ( -11.095 -17.528 -0.717) 20.756 23.223 ( -11.095 -17.528 0.717) 20.756 23.304 ( -15.772 -13.779 -2.459) 21.088 23.304 ( -15.772 -13.779 2.459) 21.088 ======================= Grid point 117 (36/50) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 27.595 -25.618) 37.653 1.530 ( 0.000 27.595 25.618) 37.653 1.681 ( 0.000 30.976 -29.065) 42.477 1.681 ( 0.000 30.976 29.065) 42.477 2.537 ( 0.000 36.707 -21.605) 42.594 2.537 ( 0.000 36.707 21.605) 42.594 2.643 ( 0.000 17.524 -27.528) 32.633 2.643 ( 0.000 17.524 27.528) 32.633 3.077 ( 0.000 22.663 -16.058) 27.775 3.077 ( 0.000 22.663 16.058) 27.775 3.518 ( 0.000 17.453 -14.589) 22.747 3.518 ( 0.000 17.453 14.589) 22.747 3.780 ( 0.000 19.547 -5.833) 20.399 3.780 ( 0.000 19.547 5.833) 20.399 3.901 ( 0.000 13.201 -14.442) 19.566 3.901 ( 0.000 13.201 14.442) 19.566 4.100 ( 0.000 0.084 -4.952) 4.952 4.100 ( 0.000 0.084 4.952) 4.952 4.147 ( 0.000 1.736 -9.425) 9.583 4.147 ( 0.000 1.736 9.425) 9.583 4.244 ( 0.000 3.730 -7.424) 8.308 4.244 ( 0.000 3.730 7.424) 8.308 4.534 ( 0.000 5.754 -21.974) 22.715 4.534 ( 0.000 5.754 21.974) 22.715 4.544 ( 0.000 -0.801 -4.700) 4.768 4.544 ( 0.000 -0.801 4.700) 4.768 4.726 ( 0.000 -4.216 -7.988) 9.032 4.726 ( 0.000 -4.216 7.988) 9.032 4.779 ( 0.000 6.608 -9.455) 11.535 4.779 ( 0.000 6.608 9.455) 11.535 5.022 ( 0.000 3.305 -0.841) 3.410 5.022 ( 0.000 3.305 0.841) 3.410 5.063 ( 0.000 18.827 -21.874) 28.860 5.063 ( 0.000 18.827 21.874) 28.860 5.193 ( 0.000 1.895 -6.984) 7.236 5.193 ( 0.000 1.895 6.984) 7.236 5.309 ( 0.000 9.963 -2.704) 10.323 5.309 ( 0.000 9.963 2.704) 10.323 5.426 ( 0.000 5.750 -3.793) 6.889 5.426 ( 0.000 5.750 3.793) 6.889 5.557 ( 0.000 5.782 -2.047) 6.134 5.557 ( 0.000 5.782 2.047) 6.134 5.737 ( 0.000 13.121 -1.971) 13.268 5.737 ( 0.000 13.121 1.971) 13.268 5.813 ( 0.000 2.625 -7.116) 7.585 5.813 ( 0.000 2.625 7.116) 7.585 5.954 ( 0.000 8.000 -2.034) 8.255 5.954 ( 0.000 8.000 2.034) 8.255 6.025 ( 0.000 5.102 -4.925) 7.092 6.025 ( 0.000 5.102 4.925) 7.092 6.137 ( 0.000 0.028 -10.556) 10.556 6.137 ( 0.000 0.028 10.556) 10.556 6.302 ( 0.000 12.288 -3.310) 12.726 6.302 ( 0.000 12.288 3.310) 12.726 6.410 ( 0.000 12.004 -4.904) 12.967 6.410 ( 0.000 12.004 4.904) 12.967 6.460 ( 0.000 10.596 -0.104) 10.596 6.460 ( 0.000 10.596 0.104) 10.596 6.517 ( 0.000 15.934 -6.450) 17.190 6.517 ( 0.000 15.934 6.450) 17.190 6.636 ( 0.000 9.515 -6.231) 11.374 6.636 ( 0.000 9.515 6.231) 11.374 6.722 ( 0.000 18.605 -5.165) 19.308 6.722 ( 0.000 18.605 5.165) 19.308 6.752 ( 0.000 11.299 -0.474) 11.309 6.752 ( 0.000 11.299 0.474) 11.309 6.873 ( 0.000 7.698 -7.154) 10.509 6.873 ( 0.000 7.698 7.154) 10.509 7.031 ( 0.000 9.012 -8.935) 12.691 7.031 ( 0.000 9.012 8.935) 12.691 7.093 ( 0.000 17.254 -7.097) 18.656 7.093 ( 0.000 17.254 7.097) 18.656 7.164 ( 0.000 4.005 -3.133) 5.085 7.164 ( 0.000 4.005 3.133) 5.085 7.199 ( 0.000 11.410 -4.279) 12.186 7.199 ( 0.000 11.410 4.279) 12.186 7.390 ( 0.000 6.472 -7.738) 10.088 7.390 ( 0.000 6.472 7.738) 10.088 7.475 ( 0.000 7.423 -4.680) 8.775 7.475 ( 0.000 7.423 4.680) 8.775 7.496 ( 0.000 15.653 -13.160) 20.450 7.496 ( 0.000 15.653 13.160) 20.450 7.777 ( 0.000 6.619 -1.129) 6.715 7.777 ( 0.000 6.619 1.129) 6.715 7.782 ( 0.000 5.174 -4.411) 6.799 7.782 ( 0.000 5.174 4.411) 6.799 7.961 ( 0.000 17.181 -4.207) 17.689 7.961 ( 0.000 17.181 4.207) 17.689 8.042 ( 0.000 2.797 -9.957) 10.342 8.042 ( 0.000 2.797 9.957) 10.342 8.204 ( 0.000 17.235 -0.915) 17.259 8.204 ( 0.000 17.235 0.915) 17.259 8.329 ( 0.000 6.265 -1.349) 6.409 8.329 ( 0.000 6.265 1.349) 6.409 8.608 ( 0.000 -14.879 -5.298) 15.794 8.608 ( 0.000 -14.879 5.298) 15.794 8.713 ( 0.000 12.454 -3.263) 12.874 8.713 ( 0.000 12.454 3.263) 12.874 8.839 ( 0.000 5.805 -2.890) 6.485 8.839 ( 0.000 5.805 2.890) 6.485 8.899 ( 0.000 -11.212 -5.651) 12.556 8.899 ( 0.000 -11.212 5.651) 12.556 9.081 ( 0.000 12.125 -10.906) 16.308 9.081 ( 0.000 12.125 10.906) 16.308 9.180 ( 0.000 -1.470 -3.109) 3.439 9.180 ( 0.000 -1.470 3.109) 3.439 9.240 ( 0.000 17.487 -2.568) 17.675 9.240 ( 0.000 17.487 2.568) 17.675 9.485 ( 0.000 11.069 -5.492) 12.357 9.485 ( 0.000 11.069 5.492) 12.357 9.683 ( 0.000 3.188 -6.989) 7.682 9.683 ( 0.000 3.188 6.989) 7.682 9.816 ( 0.000 2.788 -15.170) 15.424 9.816 ( 0.000 2.788 15.170) 15.424 10.007 ( 0.000 15.804 -3.081) 16.101 10.007 ( 0.000 15.804 3.081) 16.101 10.284 ( 0.000 1.384 -8.845) 8.952 10.284 ( 0.000 1.384 8.845) 8.952 10.334 ( 0.000 23.474 -3.372) 23.715 10.334 ( 0.000 23.474 3.372) 23.715 10.466 ( 0.000 5.881 -3.478) 6.832 10.466 ( 0.000 5.881 3.478) 6.832 10.470 ( 0.000 18.607 -5.939) 19.532 10.470 ( 0.000 18.607 5.939) 19.532 11.106 ( 0.000 -10.926 -3.879) 11.594 11.106 ( 0.000 -10.926 3.879) 11.594 11.222 ( 0.000 -1.821 -4.982) 5.305 11.222 ( 0.000 -1.821 4.982) 5.305 11.382 ( 0.000 4.549 -4.450) 6.364 11.382 ( 0.000 4.549 4.450) 6.364 11.716 ( 0.000 0.664 -1.818) 1.935 11.716 ( 0.000 0.664 1.818) 1.935 11.797 ( 0.000 -16.205 -9.444) 18.757 11.797 ( 0.000 -16.205 9.444) 18.757 12.090 ( 0.000 -8.576 -1.001) 8.634 12.090 ( 0.000 -8.576 1.001) 8.634 12.189 ( 0.000 -19.677 -5.248) 20.365 12.189 ( 0.000 -19.677 5.248) 20.365 12.610 ( 0.000 -16.057 -6.891) 17.473 12.610 ( 0.000 -16.057 6.891) 17.473 12.683 ( 0.000 -18.295 -5.806) 19.194 12.683 ( 0.000 -18.295 5.806) 19.194 12.902 ( 0.000 -27.399 -0.596) 27.406 12.902 ( 0.000 -27.399 0.596) 27.406 12.943 ( 0.000 -20.237 -7.566) 21.605 12.943 ( 0.000 -20.237 7.566) 21.605 13.191 ( 0.000 -10.032 -3.592) 10.656 13.191 ( 0.000 -10.032 3.592) 10.656 13.358 ( 0.000 -9.612 -3.351) 10.179 13.358 ( 0.000 -9.612 3.351) 10.179 13.441 ( 0.000 -9.921 -7.150) 12.229 13.441 ( 0.000 -9.921 7.150) 12.229 13.511 ( 0.000 -11.065 -2.080) 11.259 13.511 ( 0.000 -11.065 2.080) 11.259 13.724 ( 0.000 -9.076 -4.177) 9.991 13.724 ( 0.000 -9.076 4.177) 9.991 13.818 ( 0.000 -14.480 -6.587) 15.908 13.818 ( 0.000 -14.480 6.587) 15.908 13.911 ( 0.000 1.216 -3.283) 3.501 13.911 ( 0.000 1.216 3.283) 3.501 13.929 ( 0.000 -12.033 -3.986) 12.676 13.929 ( 0.000 -12.033 3.986) 12.676 14.109 ( 0.000 -13.145 -4.730) 13.970 14.109 ( 0.000 -13.145 4.730) 13.970 14.231 ( 0.000 -7.522 -0.922) 7.578 14.231 ( 0.000 -7.522 0.922) 7.578 14.311 ( 0.000 -1.480 -3.229) 3.552 14.311 ( 0.000 -1.480 3.229) 3.552 14.636 ( 0.000 -18.091 -1.211) 18.131 14.636 ( 0.000 -18.091 1.211) 18.131 14.904 ( 0.000 -8.786 -21.090) 22.847 14.904 ( 0.000 -8.786 21.090) 22.847 14.953 ( 0.000 -9.937 -7.594) 12.506 14.953 ( 0.000 -9.937 7.594) 12.506 15.197 ( 0.000 -7.502 -7.509) 10.615 15.197 ( 0.000 -7.502 7.509) 10.615 15.334 ( 0.000 -13.459 -18.149) 22.595 15.334 ( 0.000 -13.459 18.149) 22.595 15.714 ( 0.000 -1.498 -3.468) 3.778 15.714 ( 0.000 -1.498 3.468) 3.778 16.133 ( 0.000 12.884 -1.594) 12.982 16.133 ( 0.000 12.884 1.594) 12.982 16.140 ( 0.000 11.017 -7.798) 13.498 16.140 ( 0.000 11.017 7.798) 13.498 16.285 ( 0.000 14.079 -2.017) 14.223 16.285 ( 0.000 14.079 2.017) 14.223 16.581 ( 0.000 4.722 -9.485) 10.595 16.581 ( 0.000 4.722 9.485) 10.595 17.079 ( 0.000 9.985 -9.557) 13.822 17.079 ( 0.000 9.985 9.557) 13.822 18.546 ( 0.000 -35.879 -18.636) 40.430 18.546 ( 0.000 -35.879 18.636) 40.430 21.255 ( 0.000 -0.291 -23.010) 23.011 21.255 ( 0.000 -0.291 23.010) 23.011 21.564 ( 0.000 -12.953 -15.238) 20.000 21.564 ( 0.000 -12.953 15.238) 20.000 21.902 ( 0.000 -14.119 -15.719) 21.129 21.902 ( 0.000 -14.119 15.719) 21.129 22.702 ( 0.000 -16.289 -0.902) 16.314 22.702 ( 0.000 -16.289 0.902) 16.314 23.140 ( 0.000 -18.951 -0.305) 18.954 23.140 ( 0.000 -18.951 0.305) 18.954 23.322 ( 0.000 -19.693 -1.136) 19.726 23.322 ( 0.000 -19.693 1.136) 19.726 ======================= Grid point 119 (37/50) ======================= q-point: ( 0.11 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.000 25.339 -9.470) 28.841 1.534 ( 10.000 25.339 9.470) 28.841 2.242 ( 29.373 26.634 -18.323) 43.679 2.242 ( 29.373 26.634 18.323) 43.679 2.614 ( 11.609 16.718 -28.112) 34.706 2.614 ( 11.609 16.718 28.112) 34.706 2.932 ( 18.769 21.914 -21.708) 36.107 2.932 ( 18.769 21.914 21.708) 36.107 3.238 ( 16.358 23.620 -11.787) 31.055 3.238 ( 16.358 23.620 11.787) 31.055 3.589 ( 0.636 7.749 -13.072) 15.209 3.589 ( 0.636 7.749 13.072) 15.209 3.778 ( -1.102 8.685 -3.477) 9.419 3.778 ( -1.102 8.685 3.477) 9.419 3.993 ( 6.707 8.020 -9.923) 14.415 3.993 ( 6.707 8.020 9.923) 14.415 4.082 ( 2.028 -0.548 -6.537) 6.866 4.082 ( 2.028 -0.548 6.537) 6.866 4.120 ( -0.412 -3.312 -5.538) 6.466 4.120 ( -0.412 -3.312 5.538) 6.466 4.343 ( 1.022 -4.269 -2.764) 5.188 4.343 ( 1.022 -4.269 2.764) 5.188 4.498 ( -1.749 1.187 -6.716) 7.041 4.498 ( -1.749 1.187 6.716) 7.041 4.650 ( 3.320 5.296 -9.094) 11.035 4.650 ( 3.320 5.296 9.094) 11.035 4.716 ( 3.855 5.770 -5.102) 8.613 4.716 ( 3.855 5.770 5.102) 8.613 4.859 ( -2.186 -0.457 -3.199) 3.901 4.859 ( -2.186 -0.457 3.199) 3.901 5.054 ( -0.030 12.591 -8.323) 15.093 5.054 ( -0.030 12.591 8.323) 15.093 5.173 ( 6.487 8.753 -2.904) 11.275 5.173 ( 6.487 8.753 2.904) 11.275 5.241 ( 3.464 6.028 -6.101) 9.250 5.241 ( 3.464 6.028 6.101) 9.250 5.384 ( 9.976 8.595 -7.263) 15.038 5.384 ( 9.976 8.595 7.263) 15.038 5.549 ( 2.179 3.977 -4.837) 6.630 5.549 ( 2.179 3.977 4.837) 6.630 5.599 ( -6.213 8.463 -4.305) 11.347 5.599 ( -6.213 8.463 4.305) 11.347 5.703 ( 7.862 11.126 -5.771) 14.795 5.703 ( 7.862 11.126 5.771) 14.795 5.871 ( 0.903 5.037 -7.769) 9.303 5.871 ( 0.903 5.037 7.769) 9.303 5.919 ( 0.356 10.773 -4.178) 11.560 5.919 ( 0.356 10.773 4.178) 11.560 6.031 ( 2.904 6.463 -6.834) 9.844 6.031 ( 2.904 6.463 6.834) 9.844 6.129 ( -3.173 2.781 -6.626) 7.855 6.129 ( -3.173 2.781 6.626) 7.855 6.226 ( 0.997 3.577 -0.432) 3.738 6.226 ( 0.997 3.577 0.432) 3.738 6.346 ( -0.591 7.197 -1.106) 7.305 6.346 ( -0.591 7.197 1.106) 7.305 6.397 ( -0.380 8.634 -4.459) 9.725 6.397 ( -0.380 8.634 4.459) 9.725 6.580 ( 2.410 20.312 -8.194) 22.035 6.580 ( 2.410 20.312 8.194) 22.035 6.657 ( 3.800 9.979 -3.453) 11.223 6.657 ( 3.800 9.979 3.453) 11.223 6.722 ( -3.044 8.900 -3.454) 10.020 6.722 ( -3.044 8.900 3.454) 10.020 6.810 ( 1.005 11.476 -3.779) 12.124 6.810 ( 1.005 11.476 3.779) 12.124 7.001 ( 4.839 10.748 -2.334) 12.016 7.001 ( 4.839 10.748 2.334) 12.016 7.080 ( 1.827 2.660 -4.364) 5.428 7.080 ( 1.827 2.660 4.364) 5.428 7.133 ( 9.012 13.693 -6.881) 17.778 7.133 ( 9.012 13.693 6.881) 17.778 7.190 ( 8.780 1.920 -3.139) 9.520 7.190 ( 8.780 1.920 3.139) 9.520 7.321 ( -2.580 16.317 -3.805) 16.952 7.321 ( -2.580 16.317 3.805) 16.952 7.487 ( 16.101 15.912 -4.793) 23.139 7.487 ( 16.101 15.912 4.793) 23.139 7.575 ( 12.234 3.268 -15.054) 19.671 7.575 ( 12.234 3.268 15.054) 19.671 7.603 ( 12.266 12.394 -3.085) 17.708 7.603 ( 12.266 12.394 3.085) 17.708 7.774 ( 3.801 9.149 -3.669) 10.565 7.774 ( 3.801 9.149 3.669) 10.565 7.898 ( 10.481 6.998 -2.505) 12.849 7.898 ( 10.481 6.998 2.505) 12.849 8.006 ( 4.099 7.527 -3.173) 9.139 8.006 ( 4.099 7.527 3.173) 9.139 8.090 ( 3.607 12.616 -7.419) 15.074 8.090 ( 3.607 12.616 7.419) 15.074 8.225 ( -2.358 9.432 -4.065) 10.538 8.225 ( -2.358 9.432 4.065) 10.538 8.349 ( 6.022 5.871 -3.847) 9.248 8.349 ( 6.022 5.871 3.847) 9.248 8.662 ( 1.628 -0.719 -2.312) 2.917 8.662 ( 1.628 -0.719 2.312) 2.917 8.755 ( 3.140 7.069 -3.818) 8.627 8.755 ( 3.140 7.069 3.818) 8.627 8.880 ( 5.318 6.513 -3.184) 8.991 8.880 ( 5.318 6.513 3.184) 8.991 9.000 ( 12.153 3.856 -3.053) 13.111 9.000 ( 12.153 3.856 3.053) 13.111 9.200 ( 10.249 0.783 -5.672) 11.740 9.200 ( 10.249 0.783 5.672) 11.740 9.220 ( 3.973 -3.849 -2.767) 6.184 9.220 ( 3.973 -3.849 2.767) 6.184 9.289 ( 5.451 15.762 -2.731) 16.900 9.289 ( 5.451 15.762 2.731) 16.900 9.533 ( 5.577 8.267 -5.020) 11.164 9.533 ( 5.577 8.267 5.020) 11.164 9.791 ( 7.226 7.505 -8.131) 13.216 9.791 ( 7.226 7.505 8.131) 13.216 9.873 ( 6.396 0.622 -7.522) 9.893 9.873 ( 6.396 0.622 7.522) 9.893 9.994 ( -0.598 12.349 -4.294) 13.088 9.994 ( -0.598 12.349 4.294) 13.088 10.195 ( -3.815 8.637 -4.335) 10.389 10.195 ( -3.815 8.637 4.335) 10.389 10.383 ( -1.122 11.725 -1.758) 11.909 10.383 ( -1.122 11.725 1.758) 11.909 10.481 ( 1.294 8.729 -5.793) 10.557 10.481 ( 1.294 8.729 5.793) 10.557 10.581 ( 10.914 14.061 -8.949) 19.922 10.581 ( 10.914 14.061 8.949) 19.922 10.961 ( -6.310 -2.504 -1.095) 6.876 10.961 ( -6.310 -2.504 1.095) 6.876 11.293 ( 0.758 -2.902 -2.566) 3.947 11.293 ( 0.758 -2.902 2.566) 3.947 11.419 ( -3.824 -6.383 -5.409) 9.199 11.419 ( -3.824 -6.383 5.409) 9.199 11.631 ( -4.162 -1.557 -7.337) 8.578 11.631 ( -4.162 -1.557 7.337) 8.578 11.711 ( -3.458 -5.149 -2.180) 6.574 11.711 ( -3.458 -5.149 2.180) 6.574 11.981 ( -11.416 -12.968 -4.732) 17.913 11.981 ( -11.416 -12.968 4.732) 17.913 12.127 ( -4.123 -14.657 -2.841) 15.489 12.127 ( -4.123 -14.657 2.841) 15.489 12.515 ( -7.941 -15.761 -3.953) 18.086 12.515 ( -7.941 -15.761 3.953) 18.086 12.617 ( -7.512 -14.260 -5.919) 17.170 12.617 ( -7.512 -14.260 5.919) 17.170 12.809 ( -6.691 -21.502 -1.703) 22.583 12.809 ( -6.691 -21.502 1.703) 22.583 12.920 ( -4.478 -19.594 -5.752) 20.905 12.920 ( -4.478 -19.594 5.752) 20.905 13.171 ( -2.911 -8.278 -3.550) 9.466 13.171 ( -2.911 -8.278 3.550) 9.466 13.328 ( -3.736 -8.086 -2.437) 9.234 13.328 ( -3.736 -8.086 2.437) 9.234 13.420 ( -4.710 -10.457 -1.189) 11.530 13.420 ( -4.710 -10.457 1.189) 11.530 13.489 ( 0.367 -12.824 -4.443) 13.577 13.489 ( 0.367 -12.824 4.443) 13.577 13.650 ( -3.617 -6.696 -3.063) 8.204 13.650 ( -3.617 -6.696 3.063) 8.204 13.772 ( -2.969 -12.033 -9.526) 15.632 13.772 ( -2.969 -12.033 9.526) 15.632 13.880 ( 4.760 -8.883 -6.808) 12.162 13.880 ( 4.760 -8.883 6.809) 12.162 14.132 ( 8.132 -6.773 -5.515) 11.934 14.132 ( 8.132 -6.773 5.515) 11.934 14.160 ( 9.825 -7.184 -4.661) 13.033 14.160 ( 9.825 -7.184 4.661) 13.033 14.346 ( 5.889 -3.833 -4.805) 8.513 14.346 ( 5.889 -3.833 4.805) 8.513 14.402 ( 10.853 -8.880 -0.884) 14.051 14.402 ( 10.853 -8.880 0.884) 14.051 14.697 ( 5.046 -15.744 -2.080) 16.663 14.697 ( 5.046 -15.744 2.080) 16.663 14.911 ( 1.963 -7.698 -18.150) 19.813 14.911 ( 1.963 -7.698 18.150) 19.813 15.106 ( 8.025 -7.527 -4.408) 11.853 15.106 ( 8.025 -7.527 4.408) 11.853 15.227 ( 4.834 -8.996 -3.690) 10.858 15.227 ( 4.834 -8.996 3.690) 10.858 15.344 ( 1.587 -11.575 -13.702) 18.007 15.344 ( 1.587 -11.575 13.702) 18.007 15.699 ( 1.005 3.148 -2.460) 4.119 15.699 ( 1.005 3.148 2.460) 4.119 16.090 ( -0.859 17.421 -1.943) 17.550 16.090 ( -0.859 17.421 1.943) 17.550 16.213 ( 0.527 12.482 -1.327) 12.563 16.213 ( 0.527 12.482 1.327) 12.563 16.403 ( 8.658 18.048 -2.213) 20.139 16.403 ( 8.658 18.048 2.213) 20.139 16.780 ( 18.897 -3.411 -6.470) 20.263 16.780 ( 18.897 -3.411 6.470) 20.263 17.148 ( 6.283 12.185 -5.973) 14.955 17.148 ( 6.283 12.185 5.973) 14.955 18.419 ( -12.071 -32.594 -15.813) 38.185 18.419 ( -12.071 -32.594 15.813) 38.185 21.158 ( -11.920 -5.547 -16.788) 21.324 21.158 ( -11.920 -5.547 16.788) 21.324 21.400 ( -10.656 -15.295 -7.571) 20.119 21.400 ( -10.656 -15.295 7.571) 20.119 21.733 ( -5.781 -14.667 -16.730) 22.988 21.733 ( -5.781 -14.667 16.730) 22.988 22.793 ( 3.586 -19.188 -3.192) 19.779 22.793 ( 3.586 -19.188 3.192) 19.779 23.170 ( 1.720 -20.057 -0.664) 20.142 23.170 ( 1.720 -20.057 0.664) 20.142 23.339 ( 1.081 -20.290 -1.957) 20.413 23.339 ( 1.081 -20.290 1.957) 20.413 ======================= Grid point 121 (38/50) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 14.663 13.169 -11.149) 22.643 1.826 ( 14.663 13.169 11.149) 22.643 2.695 ( 16.319 19.498 -14.562) 29.301 2.695 ( 16.319 19.498 14.562) 29.301 2.781 ( 7.268 7.205 -4.790) 11.300 2.781 ( 7.268 7.205 4.790) 11.300 3.276 ( 2.943 8.795 -14.521) 17.230 3.276 ( 2.943 8.795 14.521) 17.230 3.465 ( -5.806 -2.197 -5.245) 8.127 3.465 ( -5.806 -2.197 5.245) 8.127 3.656 ( 10.473 16.402 -20.846) 28.518 3.656 ( 10.473 16.402 20.846) 28.518 3.851 ( 4.437 5.117 -4.347) 8.048 3.851 ( 4.437 5.117 4.347) 8.048 4.014 ( 1.132 -2.416 -3.928) 4.748 4.014 ( 1.132 -2.416 3.928) 4.748 4.136 ( 4.615 1.557 -12.596) 13.505 4.136 ( 4.615 1.557 12.596) 13.505 4.200 ( 4.942 -0.796 -2.843) 5.756 4.200 ( 4.942 -0.796 2.843) 5.756 4.314 ( -2.267 -1.016 -7.382) 7.789 4.314 ( -2.267 -1.016 7.382) 7.789 4.484 ( -4.353 1.987 -9.044) 10.232 4.484 ( -4.353 1.987 9.044) 10.232 4.600 ( 0.291 2.783 -1.092) 3.003 4.600 ( 0.291 2.783 1.092) 3.003 4.690 ( -3.942 5.119 -1.768) 6.699 4.690 ( -3.942 5.119 1.768) 6.699 4.819 ( -0.242 7.854 -2.632) 8.287 4.819 ( -0.242 7.854 2.632) 8.287 5.005 ( -5.517 4.533 -5.338) 8.915 5.005 ( -5.517 4.533 5.338) 8.915 5.137 ( -11.541 5.875 -7.114) 14.776 5.137 ( -11.541 5.875 7.114) 14.776 5.242 ( -2.902 7.206 -6.174) 9.923 5.242 ( -2.902 7.206 6.174) 9.923 5.400 ( -3.998 4.066 -3.363) 6.620 5.400 ( -3.998 4.066 3.363) 6.620 5.496 ( 2.253 9.376 -6.005) 11.360 5.496 ( 2.253 9.376 6.005) 11.360 5.674 ( 3.978 1.296 -5.792) 7.145 5.674 ( 3.978 1.296 5.792) 7.145 5.745 ( -0.029 3.998 -1.603) 4.308 5.745 ( -0.029 3.998 1.603) 4.308 5.827 ( -5.706 4.076 -8.976) 11.391 5.827 ( -5.706 4.076 8.976) 11.391 6.004 ( 2.941 8.912 -4.570) 10.438 6.004 ( 2.941 8.912 4.570) 10.438 6.055 ( 6.566 5.488 -6.453) 10.717 6.055 ( 6.566 5.488 6.453) 10.717 6.149 ( 0.803 7.063 -2.270) 7.462 6.149 ( 0.803 7.063 2.270) 7.462 6.333 ( 5.147 5.933 -1.912) 8.083 6.333 ( 5.147 5.933 1.912) 8.083 6.383 ( 5.642 8.772 -10.455) 14.768 6.383 ( 5.642 8.772 10.455) 14.768 6.494 ( -0.271 5.143 -7.338) 8.965 6.494 ( -0.271 5.143 7.338) 8.965 6.563 ( 2.977 6.268 -4.733) 8.399 6.563 ( 2.977 6.268 4.733) 8.399 6.696 ( -0.694 9.488 -5.791) 11.138 6.696 ( -0.694 9.488 5.791) 11.138 6.793 ( 9.700 22.250 -4.722) 24.728 6.793 ( 9.700 22.250 4.722) 24.728 6.884 ( -0.239 11.691 -4.089) 12.388 6.884 ( -0.239 11.691 4.089) 12.388 7.024 ( 7.145 8.916 -3.677) 12.003 7.024 ( 7.145 8.916 3.677) 12.003 7.128 ( 3.652 0.831 -3.560) 5.167 7.128 ( 3.652 0.831 3.560) 5.167 7.212 ( 6.424 8.401 -4.946) 11.675 7.212 ( 6.424 8.401 4.946) 11.675 7.357 ( 4.654 7.565 -5.216) 10.300 7.357 ( 4.654 7.565 5.216) 10.300 7.500 ( 11.187 1.739 -1.929) 11.484 7.500 ( 11.187 1.739 1.929) 11.484 7.666 ( -0.417 4.264 -13.066) 13.750 7.666 ( -0.417 4.264 13.066) 13.750 7.770 ( 5.585 5.311 -7.218) 10.559 7.770 ( 5.585 5.311 7.218) 10.559 7.872 ( 4.194 4.475 -5.710) 8.379 7.872 ( 4.194 4.475 5.710) 8.379 8.003 ( 6.067 7.959 -5.375) 11.360 8.003 ( 6.067 7.959 5.375) 11.360 8.055 ( 3.399 7.407 -1.896) 8.367 8.055 ( 3.399 7.407 1.896) 8.367 8.192 ( 26.104 15.758 -4.891) 30.882 8.192 ( 26.104 15.758 4.891) 30.882 8.277 ( 11.131 12.734 -13.450) 21.609 8.277 ( 11.131 12.734 13.450) 21.609 8.400 ( 10.593 9.825 -3.704) 14.915 8.400 ( 10.593 9.825 3.704) 14.915 8.522 ( 17.780 6.088 -1.977) 18.897 8.522 ( 17.780 6.088 1.977) 18.897 8.690 ( 8.947 7.753 -5.299) 12.970 8.690 ( 8.947 7.753 5.299) 12.970 8.894 ( 10.994 8.756 -1.681) 14.155 8.894 ( 10.994 8.756 1.681) 14.155 9.086 ( 13.175 5.087 -5.788) 15.263 9.086 ( 13.175 5.087 5.788) 15.263 9.254 ( 8.650 -1.120 -4.902) 10.005 9.254 ( 8.650 -1.120 4.902) 10.005 9.301 ( 5.073 -0.280 -1.586) 5.323 9.301 ( 5.073 -0.280 1.586) 5.323 9.456 ( 6.917 7.191 -0.318) 9.983 9.456 ( 6.917 7.191 0.318) 9.983 9.507 ( 16.742 4.389 -3.340) 17.627 9.507 ( 16.742 4.389 3.340) 17.627 9.731 ( 12.746 7.751 -1.976) 15.048 9.731 ( 12.746 7.751 1.976) 15.048 9.891 ( 1.848 4.707 -2.983) 5.871 9.891 ( 1.848 4.707 2.983) 5.871 9.971 ( 0.211 5.492 -0.371) 5.509 9.971 ( 0.211 5.492 0.371) 5.509 10.044 ( 6.497 2.411 -2.021) 7.219 10.044 ( 6.497 2.411 2.021) 7.219 10.240 ( 8.717 5.152 -6.611) 12.093 10.240 ( 8.717 5.152 6.611) 12.093 10.381 ( 3.948 8.935 -0.579) 9.785 10.381 ( 3.948 8.935 0.579) 9.785 10.481 ( 1.608 3.772 -3.529) 5.411 10.481 ( 1.608 3.772 3.529) 5.411 10.771 ( 4.179 6.561 -6.759) 10.305 10.771 ( 4.179 6.561 6.759) 10.305 10.949 ( -3.042 1.318 -7.042) 7.783 10.949 ( -3.042 1.318 7.042) 7.783 11.042 ( -14.106 -8.779 -5.736) 17.577 11.042 ( -14.106 -8.779 5.736) 17.577 11.313 ( -3.629 -3.253 -3.287) 5.879 11.313 ( -3.629 -3.253 3.287) 5.879 11.578 ( -4.701 -8.313 -4.091) 10.390 11.578 ( -4.701 -8.313 4.091) 10.390 11.707 ( -7.067 -7.323 -6.786) 12.232 11.707 ( -7.067 -7.323 6.786) 12.232 11.843 ( 6.272 1.715 -5.462) 8.492 11.843 ( 6.272 1.715 5.462) 8.492 11.990 ( -4.942 -3.857 -1.247) 6.392 11.990 ( -4.942 -3.857 1.247) 6.392 12.290 ( -13.784 -11.785 -6.138) 19.146 12.290 ( -13.784 -11.785 6.138) 19.146 12.398 ( -13.300 -10.102 -5.271) 17.513 12.398 ( -13.300 -10.102 5.271) 17.513 12.572 ( -15.363 -15.034 -7.384) 22.729 12.572 ( -15.363 -15.034 7.384) 22.729 12.765 ( -8.293 -9.648 -2.697) 13.005 12.765 ( -8.293 -9.648 2.697) 13.005 13.052 ( -13.333 -9.531 -2.848) 16.635 13.052 ( -13.333 -9.531 2.848) 16.635 13.225 ( -6.667 2.454 -2.028) 7.388 13.225 ( -6.667 2.454 2.028) 7.388 13.328 ( 0.461 -7.873 -4.066) 8.873 13.328 ( 0.461 -7.873 4.066) 8.873 13.473 ( -2.018 -11.405 -6.079) 13.081 13.473 ( -2.018 -11.405 6.079) 13.081 13.663 ( 6.005 -11.715 -2.161) 13.340 13.663 ( 6.005 -11.715 2.161) 13.340 13.758 ( 1.598 -11.379 -7.911) 13.950 13.758 ( 1.598 -11.379 7.911) 13.950 14.042 ( 9.022 -8.106 -6.179) 13.612 14.042 ( 9.022 -8.106 6.179) 13.612 14.372 ( 13.917 -9.842 -2.728) 17.262 14.372 ( 13.917 -9.842 2.728) 17.262 14.388 ( 11.677 -3.230 -7.181) 14.084 14.388 ( 11.677 -3.230 7.181) 14.084 14.514 ( 10.013 -2.800 -2.343) 10.658 14.514 ( 10.013 -2.800 2.343) 10.658 14.630 ( 9.404 -5.303 -2.599) 11.105 14.630 ( 9.404 -5.303 2.599) 11.105 14.817 ( 6.209 -12.119 -3.453) 14.048 14.817 ( 6.209 -12.119 3.453) 14.048 14.981 ( 4.699 -7.282 -12.822) 15.476 14.981 ( 4.699 -7.282 12.822) 15.476 15.182 ( 2.529 -7.506 -2.793) 8.399 15.182 ( 2.529 -7.506 2.793) 8.399 15.300 ( 0.812 -6.495 -4.193) 7.773 15.300 ( 0.812 -6.495 4.193) 7.773 15.509 ( 12.124 -4.718 -7.523) 15.029 15.509 ( 12.124 -4.718 7.523) 15.029 15.774 ( 5.422 6.249 -1.773) 8.462 15.774 ( 5.422 6.249 1.773) 8.462 16.079 ( -0.467 19.770 -1.716) 19.850 16.079 ( -0.467 19.770 1.716) 19.850 16.238 ( 3.197 14.937 -6.837) 16.735 16.238 ( 3.197 14.937 6.837) 16.735 16.536 ( 4.670 22.729 -1.067) 23.228 16.536 ( 4.670 22.729 1.067) 23.228 17.162 ( 12.393 11.779 -2.984) 17.356 17.162 ( 12.393 11.779 2.984) 17.356 17.302 ( 7.025 19.785 -2.140) 21.104 17.302 ( 7.025 19.785 2.140) 21.104 18.075 ( -19.966 -25.450 -8.756) 33.511 18.075 ( -19.966 -25.450 8.756) 33.511 20.903 ( -4.474 -32.447 -0.994) 32.769 20.903 ( -4.474 -32.447 0.994) 32.769 21.364 ( 6.328 -22.766 -7.864) 24.903 21.364 ( 6.328 -22.766 7.864) 24.903 21.755 ( 7.275 -15.315 -13.030) 21.384 21.755 ( 7.275 -15.315 13.030) 21.384 22.765 ( -6.361 -23.895 -3.177) 24.930 22.765 ( -6.361 -23.895 3.177) 24.930 23.163 ( -3.212 -22.691 -1.510) 22.967 23.163 ( -3.212 -22.691 1.510) 22.967 23.333 ( -2.521 -21.635 -3.149) 22.008 23.333 ( -2.521 -21.635 3.149) 22.008 ======================= Grid point 123 (39/50) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.562 3.867 -13.911) 15.860 2.046 ( 6.562 3.867 13.911) 15.860 2.785 ( -6.165 -3.887 -14.686) 16.395 2.785 ( -6.165 -3.887 14.686) 16.395 2.976 ( 4.979 3.534 -12.780) 14.164 2.976 ( 4.979 3.534 12.780) 14.164 3.138 ( -8.861 -4.491 -1.408) 10.033 3.138 ( -8.861 -4.491 1.408) 10.033 3.436 ( 1.316 5.674 -1.615) 6.044 3.436 ( 1.316 5.674 1.615) 6.044 3.648 ( -5.555 1.743 -4.090) 7.115 3.648 ( -5.555 1.743 4.090) 7.115 3.852 ( -5.136 7.616 -7.379) 11.782 3.852 ( -5.136 7.616 7.379) 11.782 3.972 ( 1.608 5.849 -2.354) 6.507 3.972 ( 1.608 5.849 2.354) 6.507 4.152 ( 1.049 2.765 -3.820) 4.831 4.152 ( 1.049 2.765 3.820) 4.831 4.245 ( -6.118 2.630 -1.730) 6.880 4.245 ( -6.118 2.630 1.730) 6.880 4.317 ( 1.837 2.306 -2.756) 4.036 4.317 ( 1.837 2.306 2.756) 4.036 4.384 ( -0.946 5.450 -2.830) 6.213 4.384 ( -0.946 5.450 2.830) 6.213 4.593 ( -3.713 4.746 -5.826) 8.381 4.593 ( -3.713 4.746 5.826) 8.381 4.719 ( -0.484 5.366 -5.312) 7.566 4.719 ( -0.484 5.366 5.312) 7.566 4.804 ( -2.880 0.975 -4.206) 5.189 4.804 ( -2.880 0.975 4.206) 5.189 4.892 ( -3.177 3.935 -2.386) 5.592 4.892 ( -3.177 3.935 2.386) 5.592 4.991 ( 2.495 3.787 -6.341) 7.796 4.991 ( 2.495 3.787 6.341) 7.796 5.142 ( -7.425 0.591 -5.994) 9.561 5.142 ( -7.425 0.591 5.994) 9.561 5.347 ( 1.384 6.952 -1.024) 7.162 5.347 ( 1.384 6.952 1.024) 7.162 5.572 ( 3.785 8.926 -1.339) 9.787 5.572 ( 3.785 8.926 1.339) 9.787 5.675 ( -2.768 0.124 -5.103) 5.807 5.675 ( -2.768 0.124 5.103) 5.807 5.748 ( -0.080 -0.666 -4.592) 4.641 5.748 ( -0.080 -0.666 4.592) 4.641 5.810 ( -3.135 0.107 -4.264) 5.294 5.810 ( -3.135 0.107 4.264) 5.294 5.996 ( -5.465 5.092 -4.545) 8.743 5.996 ( -5.465 5.092 4.545) 8.743 6.089 ( 3.625 7.009 -2.653) 8.325 6.089 ( 3.625 7.009 2.653) 8.325 6.191 ( 2.322 7.060 -2.534) 7.852 6.191 ( 2.322 7.060 2.534) 7.852 6.303 ( -3.378 5.266 -5.862) 8.573 6.303 ( -3.378 5.266 5.862) 8.573 6.370 ( -3.384 5.704 -10.390) 12.327 6.370 ( -3.384 5.704 10.390) 12.327 6.563 ( -0.790 8.042 -2.648) 8.503 6.563 ( -0.790 8.042 2.648) 8.503 6.722 ( 9.880 8.862 -1.910) 13.409 6.722 ( 9.880 8.862 1.910) 13.409 6.795 ( 7.527 4.407 -9.571) 12.949 6.795 ( 7.527 4.407 9.571) 12.949 6.958 ( 11.383 10.770 -8.644) 17.896 6.958 ( 11.383 10.770 8.644) 17.896 7.016 ( 9.400 10.717 -5.275) 15.200 7.016 ( 9.400 10.717 5.275) 15.200 7.178 ( 5.792 5.649 -1.282) 8.191 7.178 ( 5.792 5.649 1.282) 8.191 7.237 ( 13.242 10.925 -2.913) 17.412 7.237 ( 13.242 10.925 2.913) 17.412 7.413 ( 5.751 0.463 -1.738) 6.025 7.413 ( 5.751 0.463 1.738) 6.025 7.438 ( 2.373 8.413 -3.785) 9.525 7.438 ( 2.373 8.413 3.785) 9.525 7.532 ( -0.412 1.684 -3.621) 4.015 7.532 ( -0.412 1.684 3.621) 4.015 7.711 ( 5.892 8.285 -4.161) 10.985 7.711 ( 5.892 8.285 4.161) 10.985 7.846 ( 0.293 4.528 -4.936) 6.705 7.846 ( 0.293 4.528 4.936) 6.705 7.950 ( -5.821 9.988 -0.293) 11.564 7.950 ( -5.821 9.988 0.293) 11.564 7.994 ( -3.397 2.148 -3.899) 5.600 7.994 ( -3.397 2.148 3.899) 5.600 8.096 ( 10.534 4.164 -11.563) 16.187 8.096 ( 10.534 4.164 11.563) 16.187 8.475 ( 9.613 5.448 -10.074) 14.953 8.475 ( 9.613 5.448 10.074) 14.953 8.590 ( 15.660 2.708 -9.143) 18.334 8.590 ( 15.660 2.708 9.143) 18.334 8.698 ( 13.356 7.027 -3.964) 15.604 8.698 ( 13.356 7.027 3.964) 15.604 8.889 ( 13.548 2.824 -3.061) 14.174 8.889 ( 13.548 2.824 3.061) 14.174 9.092 ( 9.754 6.074 -5.801) 12.871 9.092 ( 9.754 6.074 5.801) 12.871 9.159 ( 16.382 1.225 -3.506) 16.798 9.159 ( 16.382 1.225 3.506) 16.798 9.238 ( 13.160 2.355 -2.041) 13.524 9.238 ( 13.160 2.355 2.041) 13.524 9.388 ( 0.462 -2.570 -7.790) 8.216 9.388 ( 0.462 -2.570 7.790) 8.216 9.509 ( 1.959 6.022 -4.265) 7.635 9.509 ( 1.959 6.022 4.265) 7.635 9.540 ( 11.164 3.640 -3.222) 12.176 9.540 ( 11.164 3.640 3.222) 12.176 9.750 ( 7.001 3.078 -6.502) 10.038 9.750 ( 7.001 3.078 6.502) 10.038 9.839 ( 2.840 -1.904 -6.456) 7.305 9.839 ( 2.840 -1.904 6.456) 7.305 9.951 ( 4.121 5.277 -1.940) 6.970 9.951 ( 4.121 5.277 1.940) 6.970 10.051 ( 10.535 0.277 -1.361) 10.626 10.051 ( 10.535 0.277 1.361) 10.626 10.215 ( 5.408 6.273 -1.165) 8.364 10.215 ( 5.408 6.273 1.165) 8.364 10.447 ( 1.010 2.558 -0.446) 2.787 10.447 ( 1.010 2.558 0.446) 2.787 10.512 ( -0.684 3.417 -3.498) 4.938 10.512 ( -0.684 3.417 3.498) 4.938 10.581 ( 4.690 0.244 -1.896) 5.065 10.581 ( 4.690 0.244 1.896) 5.065 10.655 ( 9.199 -1.484 -3.649) 10.007 10.655 ( 9.199 -1.484 3.649) 10.007 10.845 ( -4.020 0.469 -8.042) 9.003 10.845 ( -4.020 0.469 8.042) 9.003 10.961 ( -3.695 -3.167 -2.249) 5.361 10.961 ( -3.695 -3.167 2.249) 5.361 11.248 ( 1.225 -1.000 -2.714) 3.141 11.248 ( 1.225 -1.000 2.714) 3.141 11.438 ( -0.909 -4.795 -0.507) 4.907 11.438 ( -0.909 -4.795 0.507) 4.907 11.570 ( -12.534 -4.991 -3.017) 13.824 11.570 ( -12.534 -4.991 3.017) 13.824 11.738 ( -15.062 -5.788 -1.525) 16.208 11.738 ( -15.062 -5.788 1.525) 16.208 11.910 ( -16.052 -3.727 -0.216) 16.481 11.910 ( -16.052 -3.727 0.216) 16.481 12.107 ( -0.367 2.712 -2.474) 3.689 12.107 ( -0.367 2.712 2.474) 3.689 12.140 ( -19.989 -9.294 -6.193) 22.897 12.140 ( -19.989 -9.294 6.193) 22.897 12.392 ( 7.684 -0.673 -0.378) 7.723 12.392 ( 7.684 -0.673 0.378) 7.723 12.592 ( -10.471 -1.386 -2.081) 10.766 12.592 ( -10.471 -1.386 2.081) 10.766 12.717 ( -6.316 1.634 -6.011) 8.871 12.717 ( -6.316 1.634 6.011) 8.871 13.072 ( -8.464 10.335 -5.709) 14.527 13.072 ( -8.464 10.335 5.709) 14.527 13.348 ( -0.442 -8.613 -6.470) 10.782 13.348 ( -0.442 -8.613 6.470) 10.782 13.499 ( 4.488 -10.724 -0.875) 11.658 13.499 ( 4.488 -10.724 0.875) 11.658 13.761 ( -0.222 -10.077 -5.881) 11.670 13.761 ( -0.222 -10.077 5.881) 11.670 13.890 ( 12.241 -11.074 -0.641) 16.519 13.890 ( 12.241 -11.074 0.641) 16.519 14.204 ( 5.907 -6.179 -3.965) 9.423 14.204 ( 5.907 -6.179 3.965) 9.423 14.567 ( 5.203 -3.521 -6.866) 9.307 14.567 ( 5.203 -3.521 6.866) 9.307 14.634 ( 8.862 -7.321 -4.106) 12.206 14.634 ( 8.862 -7.321 4.106) 12.206 14.730 ( 7.721 -1.259 -2.279) 8.148 14.730 ( 7.721 -1.259 2.279) 8.148 14.775 ( 6.261 -5.623 -3.325) 9.049 14.775 ( 6.261 -5.623 3.325) 9.049 14.939 ( 5.532 -9.202 -2.670) 11.064 14.939 ( 5.532 -9.202 2.670) 11.064 15.089 ( 4.580 -8.538 -4.642) 10.744 15.089 ( 4.580 -8.538 4.642) 10.744 15.239 ( 3.545 -3.083 -7.156) 8.560 15.239 ( 3.545 -3.083 7.156) 8.560 15.361 ( 5.147 -1.229 -6.179) 8.135 15.361 ( 5.147 -1.229 6.179) 8.135 15.745 ( 10.837 6.262 -6.391) 14.053 15.745 ( 10.837 6.262 6.391) 14.053 15.906 ( 8.111 7.547 -2.061) 11.269 15.906 ( 8.111 7.547 2.061) 11.269 16.075 ( 0.670 21.179 -3.331) 21.450 16.075 ( 0.670 21.179 3.331) 21.450 16.342 ( 4.633 22.053 -10.655) 24.927 16.342 ( 4.633 22.053 10.655) 24.927 16.627 ( 5.491 22.924 -3.115) 23.777 16.627 ( 5.491 22.924 3.115) 23.777 17.242 ( -4.100 30.642 -1.972) 30.978 17.242 ( -4.100 30.642 1.972) 30.978 17.322 ( -5.748 30.675 -1.813) 31.261 17.322 ( -5.748 30.675 1.813) 31.261 17.665 ( -17.534 -22.095 -2.157) 28.289 17.665 ( -17.534 -22.095 2.157) 28.289 21.067 ( 18.463 -51.001 -2.598) 54.302 21.067 ( 18.463 -51.001 2.598) 54.302 21.635 ( 18.534 -30.767 -3.732) 36.112 21.635 ( 18.534 -30.767 3.732) 36.112 22.015 ( 17.051 -18.528 -5.225) 25.717 22.015 ( 17.051 -18.528 5.225) 25.717 22.543 ( -14.360 -30.487 -2.915) 33.825 22.543 ( -14.360 -30.487 2.915) 33.825 23.016 ( -11.165 -26.476 -1.731) 28.786 23.016 ( -11.165 -26.476 1.731) 28.786 23.206 ( -10.101 -22.903 -3.780) 25.315 23.206 ( -10.101 -22.903 3.780) 25.315 ======================= Grid point 125 (40/50) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 10.137 -0.439 -4.018) 10.913 2.189 ( 10.137 -0.439 4.019) 10.913 2.500 ( -18.003 -4.538 -8.227) 20.307 2.500 ( -18.003 -4.538 8.227) 20.307 2.959 ( -0.988 -6.741 -4.673) 8.262 2.959 ( -0.988 -6.741 4.673) 8.262 3.015 ( -5.050 -4.905 -7.204) 10.073 3.015 ( -5.050 -4.905 7.204) 10.073 3.442 ( 3.120 0.320 -8.857) 9.396 3.442 ( 3.120 0.320 8.857) 9.396 3.576 ( -7.750 0.916 -12.588) 14.811 3.576 ( -7.750 0.916 12.588) 14.811 3.846 ( 7.882 6.353 -7.706) 12.723 3.846 ( 7.882 6.353 7.706) 12.723 3.977 ( -2.607 1.621 -7.243) 7.867 3.977 ( -2.607 1.621 7.243) 7.867 4.095 ( 0.121 2.070 -4.135) 4.626 4.095 ( 0.121 2.070 4.135) 4.626 4.189 ( -5.910 4.916 -1.927) 7.925 4.189 ( -5.910 4.916 1.927) 7.925 4.382 ( 3.411 8.213 -6.032) 10.746 4.382 ( 3.411 8.213 6.032) 10.746 4.435 ( 3.791 8.007 -6.021) 10.712 4.435 ( 3.791 8.007 6.021) 10.712 4.531 ( 0.406 8.309 -2.815) 8.782 4.531 ( 0.406 8.309 2.815) 8.782 4.653 ( -6.731 4.785 -4.057) 9.201 4.653 ( -6.731 4.785 4.057) 9.201 4.744 ( 3.780 -1.410 -9.182) 10.030 4.744 ( 3.780 -1.410 9.183) 10.030 4.908 ( -5.270 2.527 -9.708) 11.332 4.908 ( -5.270 2.527 9.708) 11.332 5.008 ( 3.897 -0.695 -4.148) 5.734 5.008 ( 3.897 -0.695 4.148) 5.734 5.095 ( 2.408 1.266 -10.208) 10.564 5.095 ( 2.408 1.266 10.208) 10.564 5.362 ( 0.050 4.062 -2.226) 4.632 5.362 ( 0.050 4.062 2.226) 4.632 5.469 ( -10.697 3.029 -2.120) 11.318 5.469 ( -10.697 3.029 2.120) 11.318 5.690 ( 3.723 7.439 -3.370) 8.975 5.690 ( 3.723 7.439 3.370) 8.975 5.745 ( -0.872 1.377 -5.549) 5.783 5.745 ( -0.872 1.377 5.549) 5.783 5.785 ( 2.152 -0.142 -2.487) 3.292 5.785 ( 2.152 -0.142 2.487) 3.292 5.874 ( -5.917 4.031 -6.882) 9.931 5.874 ( -5.917 4.031 6.882) 9.931 6.070 ( -0.313 6.934 -1.584) 7.120 6.070 ( -0.313 6.934 1.584) 7.120 6.131 ( -5.461 8.457 -2.197) 10.304 6.131 ( -5.461 8.457 2.197) 10.304 6.275 ( 0.660 4.100 -10.352) 11.154 6.275 ( 0.660 4.100 10.352) 11.154 6.326 ( -3.615 3.286 -11.247) 12.262 6.326 ( -3.615 3.286 11.247) 12.262 6.658 ( 6.658 7.082 -8.516) 12.923 6.658 ( 6.658 7.082 8.516) 12.923 6.777 ( -3.940 7.182 -8.478) 11.789 6.777 ( -3.940 7.182 8.478) 11.789 6.984 ( 7.259 1.343 -2.438) 7.774 6.984 ( 7.259 1.343 2.438) 7.774 7.066 ( 0.671 6.282 -4.127) 7.546 7.066 ( 0.671 6.282 4.127) 7.546 7.243 ( 12.380 5.902 -4.419) 14.409 7.243 ( 12.380 5.902 4.419) 14.410 7.334 ( 5.800 6.603 -2.004) 9.014 7.334 ( 5.800 6.603 2.004) 9.014 7.432 ( 5.228 6.670 -3.304) 9.097 7.432 ( 5.228 6.670 3.304) 9.097 7.479 ( 2.865 9.072 -1.921) 9.705 7.479 ( 2.865 9.072 1.921) 9.705 7.507 ( -0.468 4.795 -8.695) 9.941 7.507 ( -0.468 4.795 8.695) 9.941 7.600 ( 2.652 4.484 -5.469) 7.553 7.600 ( 2.652 4.484 5.469) 7.553 7.751 ( -1.031 6.724 -1.632) 6.996 7.751 ( -1.031 6.724 1.632) 6.996 7.828 ( -3.706 10.501 -3.988) 11.828 7.828 ( -3.706 10.501 3.988) 11.828 7.868 ( 1.580 3.786 -4.889) 6.382 7.868 ( 1.580 3.786 4.889) 6.382 8.019 ( 2.325 3.221 -5.785) 7.018 8.019 ( 2.325 3.221 5.785) 7.018 8.241 ( 10.060 1.609 -12.080) 15.803 8.241 ( 10.060 1.609 12.081) 15.803 8.580 ( -10.830 -2.355 -6.188) 12.693 8.580 ( -10.830 -2.355 6.188) 12.693 8.824 ( 11.330 -0.925 -4.302) 12.155 8.824 ( 11.330 -0.925 4.302) 12.155 8.946 ( 10.727 -3.129 -1.999) 11.351 8.946 ( 10.727 -3.129 1.999) 11.351 9.050 ( 1.171 -2.196 -7.906) 8.289 9.050 ( 1.171 -2.196 7.906) 8.289 9.181 ( 3.848 -0.848 -2.585) 4.713 9.181 ( 3.848 -0.848 2.585) 4.713 9.259 ( 2.364 -3.965 -12.905) 13.706 9.259 ( 2.364 -3.965 12.905) 13.706 9.344 ( -1.389 0.739 -11.980) 12.083 9.344 ( -1.389 0.739 11.980) 12.083 9.520 ( 2.660 2.873 -5.565) 6.804 9.520 ( 2.660 2.873 5.565) 6.804 9.610 ( -1.951 -2.285 -4.726) 5.600 9.610 ( -1.951 -2.285 4.726) 5.600 9.721 ( 10.740 3.357 -2.564) 11.541 9.721 ( 10.740 3.357 2.564) 11.541 9.829 ( 2.782 0.441 -2.961) 4.086 9.829 ( 2.782 0.441 2.961) 4.086 9.950 ( 4.837 1.254 -1.352) 5.177 9.950 ( 4.837 1.254 1.352) 5.177 10.097 ( -3.696 0.017 -0.960) 3.818 10.097 ( -3.696 0.017 0.960) 3.818 10.182 ( 9.664 2.145 -0.799) 9.932 10.182 ( 9.664 2.145 0.799) 9.932 10.247 ( -3.496 2.682 -1.548) 4.670 10.247 ( -3.496 2.682 1.548) 4.670 10.402 ( -0.839 -2.167 -3.423) 4.137 10.402 ( -0.839 -2.167 3.423) 4.137 10.524 ( 4.989 -4.117 -7.105) 9.608 10.524 ( 4.989 -4.117 7.105) 9.608 10.626 ( 4.188 -1.755 -4.108) 6.123 10.626 ( 4.188 -1.755 4.108) 6.123 10.774 ( 12.052 -1.140 -1.136) 12.159 10.774 ( 12.052 -1.140 1.136) 12.159 10.990 ( 11.080 4.261 -1.182) 11.930 10.990 ( 11.080 4.261 1.182) 11.930 11.090 ( 11.340 2.262 -1.406) 11.648 11.090 ( 11.340 2.262 1.406) 11.648 11.142 ( -15.931 -3.347 -2.959) 16.546 11.142 ( -15.931 -3.347 2.959) 16.546 11.262 ( -18.194 -1.455 -0.371) 18.255 11.262 ( -18.194 -1.455 0.371) 18.255 11.409 ( -11.579 0.301 -2.941) 11.950 11.409 ( -11.579 0.301 2.941) 11.950 11.493 ( 0.188 -2.166 -3.230) 3.893 11.493 ( 0.188 -2.166 3.230) 3.893 11.587 ( -16.125 -1.562 -1.741) 16.293 11.587 ( -16.125 -1.562 1.741) 16.293 11.733 ( -9.170 -1.992 -3.069) 9.873 11.733 ( -9.170 -1.992 3.069) 9.873 12.047 ( 5.009 1.835 -1.798) 5.630 12.047 ( 5.009 1.835 1.798) 5.630 12.348 ( -15.318 -1.236 -1.232) 15.417 12.348 ( -15.318 -1.236 1.232) 15.417 12.551 ( 12.398 13.909 -4.099) 19.078 12.551 ( 12.398 13.909 4.099) 19.078 12.804 ( -8.500 11.891 -3.832) 15.110 12.804 ( -8.500 11.891 3.832) 15.110 13.031 ( 14.441 2.926 -5.517) 15.734 13.031 ( 14.441 2.926 5.517) 15.734 13.284 ( -7.155 -5.133 -7.749) 11.730 13.284 ( -7.155 -5.133 7.749) 11.730 13.606 ( 5.403 -9.814 -1.572) 11.313 13.606 ( 5.403 -9.814 1.572) 11.313 13.710 ( -4.202 -9.374 -2.355) 10.539 13.710 ( -4.202 -9.374 2.355) 10.539 14.137 ( 9.947 -8.272 -2.748) 13.225 14.137 ( 9.947 -8.272 2.748) 13.225 14.257 ( -1.370 -5.470 -0.735) 5.686 14.257 ( -1.370 -5.470 0.735) 5.686 14.627 ( 2.269 -3.019 -2.359) 4.453 14.627 ( 2.269 -3.019 2.359) 4.453 14.688 ( -2.666 -5.656 -4.884) 7.934 14.688 ( -2.666 -5.656 4.884) 7.934 14.832 ( 4.388 -5.880 -5.110) 8.941 14.832 ( 4.388 -5.880 5.110) 8.941 14.872 ( 1.147 -6.215 -3.339) 7.148 14.872 ( 1.147 -6.215 3.339) 7.148 15.052 ( 4.722 -7.381 -4.753) 9.968 15.052 ( 4.722 -7.381 4.753) 9.968 15.116 ( -1.380 -7.282 -3.521) 8.205 15.116 ( -1.380 -7.282 3.521) 8.205 15.355 ( 5.864 -0.007 -5.826) 8.267 15.355 ( 5.864 -0.007 5.826) 8.267 15.426 ( -0.260 0.023 -5.031) 5.038 15.426 ( -0.260 0.023 5.031) 5.038 15.962 ( 9.856 21.985 -4.472) 24.504 15.962 ( 9.856 21.985 4.472) 24.504 16.089 ( -0.896 24.204 -4.553) 24.645 16.089 ( -0.896 24.204 4.553) 24.645 16.142 ( 12.630 11.531 -3.264) 17.411 16.142 ( 12.630 11.531 3.264) 17.411 16.339 ( -5.001 25.139 -7.019) 26.575 16.339 ( -5.001 25.139 7.019) 26.575 16.785 ( 8.322 26.676 -2.413) 28.048 16.785 ( 8.322 26.676 2.413) 28.048 17.002 ( -14.022 30.892 -2.712) 34.034 17.002 ( -14.022 30.892 2.712) 34.034 17.236 ( 0.468 15.784 -3.449) 16.163 17.236 ( 0.468 15.784 3.449) 16.163 17.377 ( -11.153 -5.073 -2.497) 12.504 17.377 ( -11.153 -5.073 2.497) 12.504 21.545 ( 24.908 -48.136 -3.325) 54.300 21.545 ( 24.908 -48.136 3.325) 54.300 21.942 ( -2.973 -35.706 -1.457) 35.859 21.942 ( -2.973 -35.706 1.457) 35.859 22.286 ( 4.975 -35.580 -0.961) 35.939 22.286 ( 4.975 -35.580 0.961) 35.939 22.411 ( 13.026 -23.246 -0.942) 26.664 22.411 ( 13.026 -23.246 0.942) 26.664 22.732 ( -11.962 -29.374 -1.407) 31.748 22.732 ( -11.962 -29.374 1.407) 31.748 22.917 ( -17.132 -23.359 -3.052) 29.128 22.917 ( -17.132 -23.359 3.052) 29.128 ======================= Grid point 135 (41/50) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 29.014 -16.950) 33.602 2.121 ( 0.000 29.014 16.950) 33.602 2.319 ( 0.000 30.684 -21.088) 37.232 2.319 ( 0.000 30.684 21.088) 37.232 3.013 ( 0.000 17.890 -24.644) 30.453 3.013 ( 0.000 17.890 24.644) 30.453 3.102 ( 0.000 18.024 -12.630) 22.008 3.102 ( 0.000 18.024 12.630) 22.008 3.460 ( 0.000 10.513 -5.419) 11.828 3.460 ( 0.000 10.513 5.419) 11.828 3.690 ( 0.000 3.121 -11.018) 11.451 3.690 ( 0.000 3.121 11.018) 11.451 3.851 ( 0.000 -6.630 -3.369) 7.437 3.851 ( 0.000 -6.630 3.369) 7.437 3.924 ( 0.000 -6.055 -5.482) 8.167 3.924 ( 0.000 -6.055 5.482) 8.167 4.100 ( 0.000 -5.135 -9.923) 11.173 4.100 ( 0.000 -5.135 9.923) 11.173 4.313 ( 0.000 3.062 -16.010) 16.300 4.313 ( 0.000 3.062 16.010) 16.300 4.325 ( 0.000 14.161 -8.082) 16.305 4.325 ( 0.000 14.161 8.082) 16.305 4.446 ( 0.000 -13.189 -11.520) 17.512 4.446 ( 0.000 -13.189 11.520) 17.512 4.687 ( 0.000 8.474 -17.167) 19.145 4.687 ( 0.000 8.474 17.167) 19.145 4.860 ( 0.000 18.128 -4.272) 18.625 4.860 ( 0.000 18.128 4.272) 18.625 4.920 ( 0.000 7.453 -7.239) 10.390 4.920 ( 0.000 7.453 7.239) 10.390 5.033 ( 0.000 -0.405 -6.726) 6.739 5.033 ( 0.000 -0.405 6.726) 6.739 5.281 ( 0.000 7.462 -8.626) 11.406 5.281 ( 0.000 7.462 8.626) 11.406 5.354 ( 0.000 7.090 -8.094) 10.760 5.354 ( 0.000 7.090 8.094) 10.760 5.413 ( 0.000 2.832 -4.917) 5.674 5.413 ( 0.000 2.832 4.917) 5.674 5.517 ( 0.000 2.139 -4.220) 4.731 5.517 ( 0.000 2.139 4.220) 4.731 5.667 ( 0.000 5.078 -2.496) 5.658 5.667 ( 0.000 5.078 2.496) 5.658 5.895 ( 0.000 6.247 -2.298) 6.656 5.895 ( 0.000 6.247 2.298) 6.656 5.957 ( 0.000 4.015 -4.776) 6.239 5.957 ( 0.000 4.015 4.776) 6.239 6.061 ( 0.000 -0.968 -6.466) 6.538 6.061 ( 0.000 -0.968 6.466) 6.538 6.066 ( 0.000 3.860 -5.712) 6.894 6.066 ( 0.000 3.860 5.712) 6.894 6.177 ( 0.000 6.783 -6.138) 9.148 6.177 ( 0.000 6.783 6.138) 9.148 6.500 ( 0.000 3.628 -7.118) 7.989 6.500 ( 0.000 3.628 7.118) 7.989 6.549 ( 0.000 3.677 -9.533) 10.218 6.549 ( 0.000 3.677 9.533) 10.218 6.577 ( 0.000 8.657 -5.886) 10.469 6.577 ( 0.000 8.657 5.886) 10.469 6.643 ( 0.000 0.404 -4.982) 4.998 6.643 ( 0.000 0.404 4.982) 4.998 6.941 ( 0.000 1.147 -4.025) 4.185 6.941 ( 0.000 1.147 4.025) 4.185 6.980 ( 0.000 7.476 -5.556) 9.314 6.980 ( 0.000 7.476 5.556) 9.314 7.061 ( 0.000 7.167 -3.559) 8.002 7.061 ( 0.000 7.167 3.559) 8.002 7.099 ( 0.000 3.939 -7.742) 8.686 7.099 ( 0.000 3.939 7.742) 8.686 7.166 ( 0.000 8.823 -4.484) 9.897 7.166 ( 0.000 8.823 4.484) 9.897 7.226 ( 0.000 6.045 -11.678) 13.149 7.226 ( 0.000 6.045 11.678) 13.149 7.292 ( 0.000 5.467 -5.971) 8.096 7.292 ( 0.000 5.467 5.971) 8.096 7.390 ( 0.000 22.475 -7.077) 23.563 7.390 ( 0.000 22.475 7.077) 23.563 7.526 ( 0.000 8.571 -3.049) 9.097 7.526 ( 0.000 8.571 3.049) 9.097 7.804 ( 0.000 7.872 -6.027) 9.914 7.804 ( 0.000 7.872 6.027) 9.914 7.864 ( 0.000 7.189 -11.841) 13.853 7.864 ( 0.000 7.189 11.841) 13.853 7.912 ( 0.000 20.918 -4.510) 21.398 7.912 ( 0.000 20.918 4.510) 21.398 8.033 ( 0.000 13.315 -4.268) 13.982 8.033 ( 0.000 13.315 4.268) 13.982 8.129 ( 0.000 -0.119 -0.940) 0.948 8.129 ( 0.000 -0.119 0.940) 0.948 8.293 ( 0.000 3.811 -4.277) 5.729 8.293 ( 0.000 3.811 4.277) 5.729 8.461 ( 0.000 19.943 -1.333) 19.987 8.461 ( 0.000 19.943 1.333) 19.987 8.483 ( 0.000 12.110 -6.363) 13.680 8.483 ( 0.000 12.110 6.363) 13.680 8.624 ( 0.000 19.854 -0.858) 19.873 8.624 ( 0.000 19.854 0.858) 19.873 8.795 ( 0.000 7.537 -5.885) 9.562 8.795 ( 0.000 7.537 5.885) 9.562 8.972 ( 0.000 9.024 -2.443) 9.349 8.972 ( 0.000 9.024 2.443) 9.349 9.020 ( 0.000 17.853 -5.704) 18.742 9.020 ( 0.000 17.853 5.704) 18.742 9.168 ( 0.000 0.126 -4.224) 4.226 9.168 ( 0.000 0.126 4.224) 4.226 9.314 ( 0.000 10.413 -5.813) 11.925 9.314 ( 0.000 10.413 5.813) 11.925 9.663 ( 0.000 19.372 -5.591) 20.162 9.663 ( 0.000 19.372 5.591) 20.162 9.677 ( 0.000 -2.289 -1.349) 2.657 9.677 ( 0.000 -2.289 1.349) 2.657 9.783 ( 0.000 19.499 -1.399) 19.549 9.783 ( 0.000 19.499 1.399) 19.549 9.958 ( 0.000 9.078 -19.313) 21.341 9.958 ( 0.000 9.078 19.313) 21.341 10.245 ( 0.000 -3.126 -5.185) 6.054 10.245 ( 0.000 -3.126 5.185) 6.054 10.336 ( 0.000 14.380 -1.157) 14.426 10.336 ( 0.000 14.380 1.157) 14.426 10.549 ( 0.000 1.031 -4.319) 4.440 10.549 ( 0.000 1.031 4.319) 4.440 10.691 ( 0.000 0.511 -0.623) 0.805 10.691 ( 0.000 0.511 0.623) 0.805 10.818 ( 0.000 8.613 -1.031) 8.675 10.818 ( 0.000 8.613 1.031) 8.675 11.070 ( 0.000 22.233 -5.370) 22.873 11.070 ( 0.000 22.233 5.370) 22.873 11.186 ( 0.000 -7.841 -7.146) 10.609 11.186 ( 0.000 -7.841 7.146) 10.609 11.291 ( 0.000 -6.861 -4.895) 8.429 11.291 ( 0.000 -6.861 4.895) 8.429 11.425 ( 0.000 -18.394 -5.624) 19.234 11.425 ( 0.000 -18.394 5.624) 19.234 11.557 ( 0.000 -19.641 -0.223) 19.642 11.557 ( 0.000 -19.641 0.223) 19.642 11.761 ( 0.000 -20.330 -5.016) 20.940 11.761 ( 0.000 -20.330 5.016) 20.940 12.080 ( 0.000 3.979 -0.696) 4.039 12.080 ( 0.000 3.979 0.696) 4.039 12.261 ( 0.000 -16.869 -7.143) 18.319 12.261 ( 0.000 -16.869 7.143) 18.319 12.276 ( 0.000 -20.118 -4.462) 20.607 12.276 ( 0.000 -20.118 4.462) 20.607 12.435 ( 0.000 -16.549 -0.929) 16.575 12.435 ( 0.000 -16.549 0.929) 16.575 12.497 ( 0.000 -17.346 -5.701) 18.259 12.497 ( 0.000 -17.346 5.701) 18.259 12.799 ( 0.000 -25.161 -9.037) 26.734 12.799 ( 0.000 -25.161 9.037) 26.734 13.079 ( 0.000 -18.494 -8.133) 20.204 13.079 ( 0.000 -18.494 8.133) 20.204 13.271 ( 0.000 -7.989 -5.939) 9.955 13.271 ( 0.000 -7.989 5.939) 9.955 13.334 ( 0.000 -6.974 -4.163) 8.122 13.334 ( 0.000 -6.974 4.163) 8.122 13.502 ( 0.000 -14.236 -5.420) 15.233 13.502 ( 0.000 -14.236 5.420) 15.233 13.644 ( 0.000 2.719 -3.267) 4.250 13.644 ( 0.000 2.719 3.267) 4.250 13.704 ( 0.000 -10.178 -6.447) 12.048 13.704 ( 0.000 -10.178 6.447) 12.048 13.830 ( 0.000 -11.588 -9.139) 14.758 13.830 ( 0.000 -11.588 9.139) 14.758 13.972 ( 0.000 2.130 -1.847) 2.820 13.972 ( 0.000 2.130 1.847) 2.820 14.065 ( 0.000 -8.978 -1.356) 9.080 14.065 ( 0.000 -8.978 1.356) 9.080 14.311 ( 0.000 -12.341 -2.674) 12.628 14.311 ( 0.000 -12.341 2.674) 12.628 14.334 ( 0.000 3.125 -4.076) 5.136 14.334 ( 0.000 3.125 4.076) 5.136 14.703 ( 0.000 -10.931 -22.052) 24.612 14.703 ( 0.000 -10.931 22.052) 24.612 14.728 ( 0.000 -10.763 -7.395) 13.058 14.728 ( 0.000 -10.763 7.395) 13.058 15.030 ( 0.000 -15.451 -12.457) 19.847 15.030 ( 0.000 -15.451 12.457) 19.847 15.129 ( 0.000 1.267 -5.467) 5.612 15.129 ( 0.000 1.267 5.467) 5.612 15.733 ( 0.000 4.979 -13.760) 14.633 15.733 ( 0.000 4.979 13.760) 14.633 16.060 ( 0.000 -15.478 -10.593) 18.756 16.060 ( 0.000 -15.478 10.593) 18.756 16.418 ( 0.000 14.934 -1.467) 15.006 16.418 ( 0.000 14.934 1.467) 15.006 16.610 ( 0.000 17.180 -6.089) 18.227 16.610 ( 0.000 17.180 6.089) 18.227 16.629 ( 0.000 -5.749 -17.841) 18.745 16.629 ( 0.000 -5.749 17.841) 18.745 17.134 ( 0.000 -2.715 -11.947) 12.252 17.134 ( 0.000 -2.715 11.947) 12.252 17.852 ( 0.000 -29.780 -13.052) 32.515 17.852 ( 0.000 -29.780 13.052) 32.515 21.327 ( 0.000 9.059 -10.059) 13.537 21.327 ( 0.000 9.059 10.059) 13.537 21.514 ( 0.000 6.361 -12.253) 13.806 21.514 ( 0.000 6.361 12.253) 13.806 21.684 ( 0.000 -4.421 -11.909) 12.703 21.684 ( 0.000 -4.421 11.909) 12.703 22.326 ( 0.000 -19.868 -1.736) 19.944 22.326 ( 0.000 -19.868 1.736) 19.944 22.692 ( 0.000 -24.411 -0.663) 24.420 22.692 ( 0.000 -24.411 0.663) 24.420 22.855 ( 0.000 -25.367 -3.229) 25.572 22.855 ( 0.000 -25.367 3.229) 25.572 ======================= Grid point 137 (42/50) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.215 28.112 -3.944) 28.474 2.091 ( 2.215 28.112 3.944) 28.474 2.735 ( 26.263 22.398 -19.118) 39.458 2.735 ( 26.263 22.398 19.118) 39.458 2.935 ( -1.577 14.040 -21.859) 26.027 2.935 ( -1.577 14.040 21.859) 26.027 3.330 ( 11.283 13.999 -4.254) 18.476 3.330 ( 11.283 13.999 4.254) 18.476 3.535 ( -5.489 -4.998 -0.745) 7.461 3.535 ( -5.489 -4.998 0.745) 7.461 3.671 ( 10.019 8.155 -10.840) 16.864 3.671 ( 10.019 8.155 10.840) 16.864 3.854 ( 2.895 -0.769 -4.085) 5.065 3.854 ( 2.895 -0.769 4.085) 5.065 3.978 ( -5.530 -4.786 -6.897) 10.053 3.978 ( -5.530 -4.786 6.897) 10.053 4.049 ( 5.472 -2.150 -12.391) 13.715 4.049 ( 5.472 -2.150 12.391) 13.715 4.184 ( -6.319 2.929 -6.309) 9.397 4.184 ( -6.319 2.929 6.309) 9.397 4.340 ( -2.246 9.818 -6.312) 11.885 4.340 ( -2.246 9.818 6.312) 11.885 4.480 ( 4.858 -6.258 -9.384) 12.281 4.480 ( 4.858 -6.258 9.384) 12.281 4.668 ( 1.442 2.247 -7.406) 7.872 4.668 ( 1.442 2.247 7.406) 7.872 4.886 ( -4.284 9.667 -12.155) 16.110 4.886 ( -4.284 9.667 12.155) 16.110 4.935 ( 0.808 6.491 -3.401) 7.373 4.935 ( 0.808 6.491 3.401) 7.373 5.101 ( 1.200 -4.243 -7.990) 9.126 5.101 ( 1.200 -4.243 7.990) 9.126 5.309 ( 2.036 5.108 -4.219) 6.930 5.309 ( 2.036 5.108 4.219) 6.930 5.371 ( -0.152 5.002 -4.307) 6.602 5.371 ( -0.152 5.002 4.307) 6.602 5.495 ( 3.724 1.279 -7.168) 8.178 5.495 ( 3.724 1.279 7.168) 8.178 5.641 ( 4.515 3.255 -8.995) 10.578 5.641 ( 4.515 3.255 8.995) 10.578 5.797 ( -0.759 6.805 -2.660) 7.345 5.797 ( -0.759 6.805 2.660) 7.345 5.849 ( 1.958 3.888 -7.585) 8.745 5.849 ( 1.958 3.888 7.585) 8.745 5.985 ( 3.362 7.224 -7.329) 10.826 5.985 ( 3.362 7.224 7.329) 10.826 6.071 ( 6.339 3.437 -3.229) 7.901 6.071 ( 6.339 3.437 3.229) 7.901 6.170 ( 3.898 4.468 -4.554) 7.476 6.170 ( 3.898 4.468 4.554) 7.476 6.239 ( 0.544 11.098 -8.531) 14.008 6.239 ( 0.544 11.098 8.531) 14.008 6.309 ( -1.442 7.365 -4.656) 8.832 6.309 ( -1.442 7.365 4.656) 8.832 6.471 ( -2.066 4.742 -7.177) 8.847 6.471 ( -2.066 4.742 7.177) 8.847 6.591 ( 1.113 8.091 -3.703) 8.967 6.591 ( 1.113 8.091 3.703) 8.967 6.726 ( 0.840 3.653 -3.806) 5.341 6.726 ( 0.840 3.653 3.806) 5.341 6.777 ( -6.263 2.410 -2.689) 7.229 6.777 ( -6.263 2.410 2.689) 7.229 6.968 ( -1.232 1.661 -5.607) 5.976 6.968 ( -1.232 1.661 5.607) 5.976 7.091 ( 2.811 1.992 -3.434) 4.865 7.091 ( 2.811 1.992 3.434) 4.865 7.138 ( 0.662 10.234 -6.921) 12.373 7.138 ( 0.662 10.234 6.921) 12.373 7.184 ( 0.838 5.110 -2.183) 5.619 7.184 ( 0.838 5.110 2.183) 5.619 7.233 ( 7.638 7.043 -2.204) 10.621 7.233 ( 7.638 7.043 2.204) 10.621 7.391 ( 2.941 7.762 -8.096) 11.595 7.391 ( 2.941 7.762 8.096) 11.595 7.562 ( 6.904 4.347 -1.628) 8.320 7.562 ( 6.904 4.347 1.628) 8.320 7.594 ( 12.041 9.461 -13.896) 20.678 7.594 ( 12.041 9.461 13.896) 20.678 7.802 ( 0.090 12.347 -4.164) 13.031 7.802 ( 0.090 12.347 4.164) 13.031 7.911 ( -4.796 6.047 -6.381) 10.015 7.911 ( -4.796 6.047 6.381) 10.015 7.958 ( 10.234 14.445 -2.496) 17.878 7.958 ( 10.234 14.445 2.496) 17.878 8.056 ( 3.119 7.945 -3.981) 9.418 8.056 ( 3.119 7.945 3.981) 9.418 8.194 ( 10.850 5.833 -0.567) 12.331 8.194 ( 10.850 5.833 0.567) 12.331 8.387 ( 4.345 12.024 -3.623) 13.289 8.387 ( 4.345 12.024 3.623) 13.289 8.457 ( 6.434 15.739 -4.889) 17.692 8.457 ( 6.434 15.739 4.889) 17.692 8.604 ( 9.274 10.877 -1.046) 14.332 8.604 ( 9.274 10.877 1.046) 14.332 8.667 ( 0.396 15.133 -4.583) 15.817 8.667 ( 0.396 15.133 4.583) 15.817 8.928 ( 5.860 7.953 -1.360) 9.972 8.928 ( 5.860 7.953 1.360) 9.972 8.987 ( 7.779 8.493 -2.252) 11.735 8.987 ( 7.779 8.493 2.252) 11.735 9.091 ( 5.403 5.809 -0.810) 7.974 9.091 ( 5.403 5.809 0.810) 7.974 9.265 ( 2.323 11.082 -3.840) 11.956 9.265 ( 2.323 11.082 3.840) 11.956 9.334 ( 10.765 9.936 -6.072) 15.858 9.334 ( 10.765 9.936 6.072) 15.858 9.668 ( 2.446 11.181 -2.943) 11.818 9.668 ( 2.446 11.181 2.943) 11.818 9.762 ( 3.340 5.273 -3.745) 7.279 9.762 ( 3.340 5.273 3.745) 7.279 9.809 ( 5.358 14.626 -3.259) 15.914 9.809 ( 5.358 14.626 3.259) 15.914 10.014 ( 3.822 8.158 -15.924) 18.296 10.014 ( 3.822 8.158 15.924) 18.296 10.206 ( -1.624 -1.486 -4.498) 5.008 10.206 ( -1.624 -1.486 4.498) 5.008 10.305 ( -3.615 11.536 -1.988) 12.252 10.305 ( -3.615 11.536 1.988) 12.252 10.497 ( -1.598 -0.743 -2.138) 2.771 10.497 ( -1.598 -0.743 2.138) 2.771 10.729 ( -0.639 12.581 -1.827) 12.729 10.729 ( -0.639 12.581 1.827) 12.729 10.808 ( 1.837 3.107 -1.585) 3.943 10.808 ( 1.837 3.107 1.585) 3.943 11.051 ( -0.879 6.547 -7.184) 9.759 11.051 ( -0.879 6.547 7.184) 9.759 11.202 ( -8.242 -7.548 -1.389) 11.262 11.202 ( -8.242 -7.548 1.389) 11.262 11.251 ( -2.361 -4.931 -0.498) 5.490 11.251 ( -2.361 -4.931 0.498) 5.490 11.405 ( 3.601 -5.787 -5.177) 8.559 11.405 ( 3.601 -5.787 5.177) 8.559 11.541 ( -2.675 -17.265 -2.497) 17.648 11.541 ( -2.675 -17.265 2.497) 17.648 11.702 ( -2.927 -16.966 -4.970) 17.920 11.702 ( -2.927 -16.966 4.970) 17.920 12.035 ( -2.017 0.649 -0.738) 2.244 12.035 ( -2.017 0.649 0.738) 2.244 12.162 ( -5.635 -14.000 -6.153) 16.298 12.162 ( -5.635 -14.000 6.153) 16.298 12.287 ( -3.257 -17.280 -5.152) 18.323 12.287 ( -3.257 -17.280 5.152) 18.323 12.389 ( -4.090 -18.508 -4.681) 19.524 12.389 ( -4.090 -18.508 4.681) 19.524 12.538 ( 2.468 -14.084 -3.091) 14.629 12.538 ( 2.468 -14.084 3.091) 14.629 12.816 ( 0.766 -21.888 -8.425) 23.466 12.816 ( 0.766 -21.888 8.425) 23.466 13.087 ( 1.181 -15.455 -7.692) 17.303 13.087 ( 1.181 -15.455 7.692) 17.303 13.249 ( -2.702 -9.408 -4.703) 10.860 13.249 ( -2.702 -9.408 4.703) 10.860 13.335 ( 0.381 -3.715 -0.840) 3.828 13.335 ( 0.381 -3.715 0.840) 3.828 13.468 ( -2.547 -13.188 -8.540) 15.917 13.468 ( -2.547 -13.188 8.540) 15.917 13.610 ( 0.262 1.679 -3.628) 4.006 13.610 ( 0.262 1.679 3.628) 4.006 13.744 ( 4.618 -3.528 -4.863) 7.578 13.744 ( 4.618 -3.528 4.863) 7.578 13.954 ( 9.094 -8.649 -6.196) 13.996 13.954 ( 9.094 -8.649 6.196) 13.996 14.081 ( 8.872 -3.416 -2.124) 9.741 14.081 ( 8.872 -3.416 2.124) 9.741 14.189 ( 11.096 -8.262 -1.859) 13.958 14.189 ( 11.096 -8.262 1.859) 13.958 14.334 ( 6.427 -3.571 -1.269) 7.462 14.334 ( 6.427 -3.571 1.269) 7.462 14.468 ( 8.804 -3.773 -5.120) 10.861 14.468 ( 8.804 -3.773 5.120) 10.861 14.725 ( 2.422 -10.648 -19.038) 21.948 14.725 ( 2.422 -10.648 19.038) 21.948 14.907 ( 11.557 -10.768 -6.963) 17.263 14.907 ( 11.557 -10.768 6.963) 17.263 15.059 ( 5.608 -12.506 -7.623) 15.683 15.059 ( 5.608 -12.506 7.623) 15.683 15.157 ( 2.724 0.331 -2.724) 3.866 15.157 ( 2.724 0.331 2.724) 3.866 15.795 ( 5.857 7.147 -12.045) 15.182 15.795 ( 5.857 7.147 12.045) 15.182 16.234 ( 14.206 -16.328 -6.294) 22.540 16.234 ( 14.206 -16.328 6.294) 22.540 16.435 ( 2.262 14.423 -2.057) 14.743 16.435 ( 2.262 14.423 2.057) 14.743 16.635 ( 5.196 11.341 -6.117) 13.893 16.635 ( 5.196 11.341 6.117) 13.893 16.725 ( 7.980 -1.259 -7.240) 10.848 16.725 ( 7.980 -1.259 7.240) 10.848 17.214 ( 8.189 -4.097 -12.013) 15.105 17.214 ( 8.189 -4.097 12.013) 15.105 17.809 ( -3.775 -25.414 -9.978) 27.562 17.809 ( -3.775 -25.414 9.978) 27.562 21.156 ( -21.426 6.169 -9.206) 24.122 21.156 ( -21.426 6.169 9.206) 24.122 21.311 ( -13.844 6.095 -5.267) 16.017 21.311 ( -13.844 6.095 5.267) 16.017 21.589 ( -3.080 1.940 -15.092) 15.525 21.589 ( -3.080 1.940 15.092) 15.525 22.333 ( -2.212 -24.773 -2.671) 25.015 22.333 ( -2.212 -24.773 2.671) 25.015 22.689 ( -1.049 -26.387 -0.373) 26.411 22.689 ( -1.049 -26.387 0.373) 26.411 22.857 ( -0.264 -26.241 -3.582) 26.486 22.857 ( -0.264 -26.241 3.582) 26.486 ======================= Grid point 139 (43/50) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 2.353 18.245 -12.986) 22.518 2.158 ( 2.353 18.245 12.986) 22.518 2.894 ( -3.380 5.492 -12.967) 14.482 2.894 ( -3.380 5.492 12.967) 14.482 3.068 ( 1.779 12.915 -7.447) 15.014 3.068 ( 1.779 12.915 7.447) 15.014 3.292 ( -8.808 -4.578 -6.012) 11.605 3.292 ( -8.808 -4.578 6.012) 11.605 3.470 ( -0.719 0.981 -3.857) 4.044 3.470 ( -0.719 0.981 3.857) 4.044 3.815 ( -6.583 1.285 -8.742) 11.018 3.815 ( -6.583 1.285 8.742) 11.018 3.952 ( 9.957 1.681 -5.678) 11.584 3.952 ( 9.957 1.681 5.678) 11.584 4.044 ( 8.208 3.376 -6.433) 10.962 4.044 ( 8.208 3.376 6.433) 10.962 4.143 ( 3.195 -3.423 -10.178) 11.203 4.143 ( 3.195 -3.423 10.178) 11.203 4.186 ( 0.478 0.325 -8.698) 8.717 4.186 ( 0.478 0.325 8.698) 8.717 4.301 ( 8.192 6.129 -7.934) 12.947 4.301 ( 8.192 6.129 7.934) 12.947 4.586 ( -6.106 6.129 -9.852) 13.112 4.586 ( -6.106 6.129 9.852) 13.112 4.619 ( -1.268 -0.885 -9.232) 9.361 4.619 ( -1.268 -0.885 9.232) 9.361 4.763 ( 2.655 3.822 -5.137) 6.931 4.763 ( 2.655 3.822 5.137) 6.931 4.997 ( 0.012 7.340 -4.784) 8.761 4.997 ( 0.012 7.340 4.784) 8.761 5.034 ( -6.874 -0.557 -4.222) 8.086 5.034 ( -6.874 -0.557 4.222) 8.086 5.247 ( -10.505 3.331 -4.763) 12.006 5.247 ( -10.505 3.331 4.763) 12.006 5.304 ( -6.570 0.676 -7.493) 9.988 5.304 ( -6.570 0.676 7.493) 9.988 5.452 ( -8.383 2.962 -3.464) 9.542 5.452 ( -8.383 2.962 3.464) 9.542 5.642 ( 0.298 -0.646 -6.469) 6.508 5.642 ( 0.298 -0.646 6.469) 6.508 5.674 ( 0.145 0.386 -2.689) 2.721 5.674 ( 0.145 0.386 2.689) 2.721 5.840 ( -4.629 3.006 -8.228) 9.908 5.840 ( -4.629 3.006 8.228) 9.908 5.937 ( -2.484 10.827 -0.770) 11.135 5.937 ( -2.484 10.827 0.770) 11.135 6.183 ( 1.119 7.883 -6.414) 10.224 6.183 ( 1.119 7.883 6.414) 10.224 6.209 ( -1.749 6.598 -9.260) 11.504 6.209 ( -1.749 6.598 9.260) 11.504 6.314 ( 3.159 7.907 -6.461) 10.688 6.314 ( 3.159 7.907 6.461) 10.688 6.388 ( 7.628 5.408 -3.664) 10.043 6.388 ( 7.628 5.408 3.664) 10.043 6.570 ( 6.373 9.440 -13.136) 17.385 6.570 ( 6.372 9.440 13.136) 17.385 6.623 ( 0.223 2.484 -3.073) 3.958 6.623 ( 0.223 2.484 3.073) 3.958 6.669 ( 2.028 3.913 -3.473) 5.611 6.669 ( 2.028 3.913 3.473) 5.611 6.821 ( 1.417 5.575 -2.274) 6.185 6.821 ( 1.417 5.575 2.274) 6.185 7.003 ( 5.013 1.129 -5.223) 7.327 7.003 ( 5.013 1.129 5.223) 7.327 7.138 ( 2.050 3.626 -7.811) 8.852 7.138 ( 2.050 3.626 7.811) 8.852 7.182 ( 4.451 5.961 -1.973) 7.697 7.182 ( 4.451 5.961 1.973) 7.697 7.287 ( 4.904 7.808 -0.487) 9.233 7.287 ( 4.904 7.808 0.487) 9.233 7.342 ( 1.517 10.001 -5.128) 11.340 7.342 ( 1.517 10.001 5.128) 11.340 7.457 ( 11.177 5.630 -2.709) 12.805 7.457 ( 11.177 5.630 2.709) 12.805 7.704 ( -1.874 8.249 -5.322) 9.994 7.704 ( -1.874 8.249 5.322) 9.994 7.773 ( 8.368 11.378 -2.347) 14.317 7.773 ( 8.368 11.378 2.347) 14.317 7.831 ( 1.337 1.544 -0.978) 2.264 7.831 ( 1.337 1.544 0.978) 2.264 7.919 ( 8.222 5.880 -9.057) 13.572 7.919 ( 8.222 5.880 9.057) 13.572 8.080 ( 3.478 5.168 -3.018) 6.922 8.080 ( 3.478 5.168 3.018) 6.922 8.235 ( 9.499 3.447 -6.086) 11.796 8.235 ( 9.499 3.447 6.086) 11.796 8.449 ( 2.240 6.474 -5.172) 8.584 8.449 ( 2.240 6.474 5.172) 8.584 8.495 ( 10.825 4.674 -2.442) 12.042 8.495 ( 10.825 4.674 2.442) 12.042 8.593 ( 4.342 6.553 -1.218) 7.955 8.593 ( 4.342 6.553 1.218) 7.955 8.712 ( 9.841 12.178 -3.088) 15.959 8.712 ( 9.841 12.178 3.088) 15.959 8.836 ( 11.246 2.359 -9.430) 14.865 8.836 ( 11.246 2.359 9.430) 14.865 9.060 ( 9.855 10.762 -1.688) 14.689 9.060 ( 9.855 10.762 1.688) 14.689 9.123 ( 1.348 1.156 -2.941) 3.436 9.123 ( 1.348 1.156 2.941) 3.436 9.267 ( 10.849 5.655 -4.493) 13.033 9.267 ( 10.849 5.655 4.493) 13.033 9.332 ( 6.481 4.869 -2.177) 8.394 9.332 ( 6.481 4.869 2.177) 8.394 9.633 ( 10.187 9.695 -2.977) 14.375 9.633 ( 10.187 9.695 2.977) 14.375 9.767 ( 5.714 8.412 -1.780) 10.324 9.767 ( 5.714 8.412 1.780) 10.324 9.795 ( 2.586 7.558 -3.396) 8.680 9.795 ( 2.586 7.558 3.396) 8.680 9.966 ( 4.882 9.191 -5.791) 11.910 9.966 ( 4.882 9.191 5.791) 11.910 10.083 ( 5.117 5.056 -0.616) 7.220 10.083 ( 5.117 5.056 0.616) 7.220 10.231 ( 0.694 7.718 -1.133) 7.831 10.231 ( 0.694 7.718 1.133) 7.831 10.302 ( 9.435 -0.280 -5.014) 10.688 10.302 ( 9.435 -0.280 5.014) 10.688 10.533 ( 4.475 0.851 -2.292) 5.099 10.533 ( 4.475 0.851 2.292) 5.099 10.667 ( -2.976 16.146 -2.017) 16.542 10.667 ( -2.976 16.146 2.017) 16.542 10.877 ( -1.395 0.165 -4.035) 4.272 10.877 ( -1.395 0.165 4.035) 4.272 10.902 ( -10.275 7.067 -3.276) 12.894 10.902 ( -10.275 7.067 3.276) 12.894 11.023 ( -1.861 0.809 -5.209) 5.590 11.023 ( -1.861 0.809 5.209) 5.590 11.209 ( -3.001 -8.742 -1.393) 9.347 11.209 ( -3.001 -8.742 1.393) 9.347 11.353 ( -7.906 -12.901 -2.182) 15.287 11.353 ( -7.906 -12.901 2.182) 15.287 11.578 ( 0.015 -5.793 -0.765) 5.843 11.578 ( 0.015 -5.793 0.765) 5.843 11.684 ( 2.608 -7.088 -1.354) 7.673 11.684 ( 2.608 -7.088 1.354) 7.673 11.970 ( -7.727 -13.453 -3.653) 15.939 11.970 ( -7.727 -13.453 3.653) 15.939 12.078 ( -2.227 -8.448 -3.219) 9.311 12.078 ( -2.227 -8.448 3.219) 9.311 12.210 ( -6.360 -8.383 -3.214) 11.002 12.210 ( -6.360 -8.383 3.214) 11.002 12.251 ( -1.445 -7.620 -3.683) 8.585 12.251 ( -1.445 -7.620 3.683) 8.585 12.553 ( -0.542 -11.346 -4.091) 12.073 12.553 ( -0.542 -11.346 4.091) 12.073 12.827 ( -1.393 -9.321 -1.818) 9.598 12.827 ( -1.393 -9.321 1.818) 9.598 13.133 ( 3.414 -10.080 -5.532) 11.994 13.133 ( 3.414 -10.080 5.532) 11.994 13.181 ( -2.842 -9.446 -3.093) 10.338 13.181 ( -2.842 -9.446 3.093) 10.338 13.344 ( 0.500 -0.752 -4.846) 4.930 13.344 ( 0.500 -0.752 4.846) 4.930 13.452 ( 3.547 -9.808 -5.543) 11.811 13.452 ( 3.547 -9.808 5.543) 11.811 13.662 ( 2.542 4.422 -1.639) 5.357 13.662 ( 2.542 4.422 1.639) 5.357 13.902 ( 10.147 -4.731 -5.634) 12.533 13.902 ( 10.147 -4.731 5.634) 12.533 14.196 ( 13.168 -7.710 -2.461) 15.456 14.196 ( 13.168 -7.710 2.461) 15.456 14.296 ( 11.606 -3.171 -2.786) 12.350 14.296 ( 11.606 -3.171 2.786) 12.350 14.421 ( 10.744 -9.110 -2.135) 14.248 14.421 ( 10.744 -9.110 2.135) 14.248 14.569 ( 13.367 -2.493 -1.678) 13.701 14.569 ( 13.367 -2.493 1.678) 13.701 14.650 ( 7.508 -2.205 -6.568) 10.217 14.650 ( 7.508 -2.205 6.568) 10.217 14.791 ( 3.605 -11.635 -9.818) 15.645 14.791 ( 3.605 -11.635 9.818) 15.645 15.046 ( 6.259 -5.228 -7.011) 10.754 15.046 ( 6.259 -5.228 7.011) 10.754 15.244 ( 6.624 1.393 -4.382) 8.063 15.244 ( 6.624 1.393 4.382) 8.063 15.341 ( 16.216 -8.221 -2.583) 18.364 15.341 ( 16.216 -8.221 2.583) 18.364 15.964 ( 10.259 11.476 -6.846) 16.847 15.964 ( 10.259 11.476 6.846) 16.847 16.414 ( 2.858 6.252 -3.391) 7.666 16.414 ( 2.858 6.252 3.391) 7.666 16.544 ( 8.404 15.591 -7.200) 19.119 16.544 ( 8.404 15.591 7.200) 19.119 16.885 ( 10.937 7.416 -1.190) 13.268 16.885 ( 10.937 7.416 1.190) 13.268 16.992 ( 20.518 -14.603 -0.863) 25.198 16.992 ( 20.518 -14.603 0.863) 25.198 17.489 ( 17.955 -4.119 -6.888) 19.667 17.489 ( 17.955 -4.119 6.888) 19.667 17.734 ( -1.724 -10.108 -2.799) 10.629 17.734 ( -1.724 -10.108 2.799) 10.629 20.564 ( -28.255 1.383 -2.266) 28.379 20.564 ( -28.255 1.383 2.266) 28.379 21.111 ( -5.826 0.328 -6.379) 8.646 21.111 ( -5.826 0.328 6.379) 8.646 21.584 ( 2.712 -0.486 -10.570) 10.923 21.584 ( 2.712 -0.486 10.570) 10.923 22.178 ( -12.895 -32.334 -2.966) 34.936 22.178 ( -12.895 -32.334 2.966) 34.936 22.613 ( -6.966 -30.397 -1.000) 31.201 22.613 ( -6.966 -30.397 1.000) 31.201 22.820 ( -3.957 -27.807 -4.097) 28.385 22.820 ( -3.957 -27.807 4.097) 28.385 ======================= Grid point 141 (44/50) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.398 7.699 -13.844) 15.846 2.171 ( -0.398 7.699 13.844) 15.846 2.672 ( -13.182 -6.792 -12.808) 19.595 2.672 ( -13.182 -6.792 12.808) 19.595 3.039 ( -13.024 -1.224 -2.306) 13.283 3.039 ( -13.024 -1.224 2.306) 13.283 3.101 ( -2.049 6.252 -9.374) 11.453 3.101 ( -2.049 6.252 9.374) 11.453 3.418 ( -4.771 -5.373 -3.004) 7.788 3.418 ( -4.771 -5.373 3.004) 7.788 3.710 ( -3.829 1.994 -7.418) 8.583 3.710 ( -3.829 1.994 7.418) 8.583 3.956 ( -6.033 1.606 -11.606) 13.178 3.956 ( -6.033 1.606 11.606) 13.178 4.064 ( -3.950 3.048 -5.373) 7.332 4.064 ( -3.950 3.048 5.373) 7.332 4.185 ( 6.689 -0.965 -4.559) 8.152 4.185 ( 6.689 -0.965 4.559) 8.152 4.277 ( -2.605 3.665 -6.058) 7.544 4.277 ( -2.605 3.665 6.058) 7.544 4.407 ( 3.618 2.296 -7.509) 8.646 4.407 ( 3.618 2.296 7.509) 8.646 4.492 ( -3.331 5.631 -1.577) 6.730 4.492 ( -3.331 5.631 1.577) 6.730 4.612 ( 0.936 1.669 -4.047) 4.477 4.612 ( 0.936 1.669 4.047) 4.477 4.797 ( -6.281 1.127 -3.419) 7.239 4.797 ( -6.281 1.127 3.419) 7.239 4.870 ( -1.490 4.407 -6.414) 7.923 4.870 ( -1.490 4.407 6.414) 7.923 4.957 ( -3.326 2.924 -3.849) 5.867 4.957 ( -3.326 2.924 3.849) 5.867 5.067 ( -4.579 -0.920 -7.645) 8.959 5.067 ( -4.580 -0.920 7.645) 8.959 5.154 ( -4.488 3.116 -14.072) 15.096 5.154 ( -4.488 3.116 14.072) 15.096 5.394 ( 0.329 0.403 -6.456) 6.477 5.394 ( 0.329 0.403 6.456) 6.477 5.607 ( -2.308 -2.919 -4.597) 5.914 5.607 ( -2.308 -2.919 4.597) 5.914 5.715 ( 0.107 -1.075 -1.046) 1.504 5.715 ( 0.107 -1.075 1.046) 1.504 5.771 ( -1.730 -1.030 -2.377) 3.115 5.771 ( -1.730 -1.030 2.377) 3.115 5.884 ( -1.715 10.462 -3.168) 11.065 5.884 ( -1.715 10.462 3.168) 11.065 6.119 ( -5.734 6.542 -7.012) 11.174 6.119 ( -5.734 6.542 7.012) 11.174 6.270 ( 5.443 5.202 -9.904) 12.441 6.270 ( 5.443 5.202 9.904) 12.441 6.333 ( 1.485 8.436 -6.232) 10.593 6.333 ( 1.485 8.436 6.232) 10.593 6.472 ( -1.646 14.535 -4.754) 15.381 6.472 ( -1.646 14.535 4.754) 15.381 6.503 ( -5.535 6.351 -8.818) 12.195 6.503 ( -5.535 6.351 8.818) 12.195 6.663 ( 0.990 1.900 -4.077) 4.606 6.663 ( 0.990 1.900 4.077) 4.606 6.809 ( 6.321 -0.130 -7.794) 10.036 6.809 ( 6.321 -0.130 7.794) 10.036 6.919 ( 8.047 6.428 -3.422) 10.853 6.919 ( 8.047 6.428 3.422) 10.853 7.106 ( 2.035 1.000 -5.882) 6.304 7.106 ( 2.035 1.000 5.882) 6.304 7.184 ( 1.909 3.029 -2.403) 4.312 7.184 ( 1.909 3.029 2.403) 4.312 7.261 ( 10.403 10.795 -6.394) 16.299 7.261 ( 10.403 10.795 6.394) 16.299 7.384 ( 8.759 -0.349 -9.174) 12.689 7.384 ( 8.759 -0.349 9.174) 12.689 7.492 ( 4.862 5.773 -3.119) 8.167 7.492 ( 4.862 5.773 3.119) 8.167 7.627 ( 2.271 11.509 -0.982) 11.772 7.627 ( 2.271 11.509 0.982) 11.772 7.710 ( 3.839 9.350 -8.785) 13.391 7.710 ( 3.839 9.350 8.785) 13.391 7.837 ( 2.741 7.353 -3.976) 8.797 7.837 ( 2.741 7.353 3.976) 8.797 7.964 ( 7.296 4.431 -3.793) 9.341 7.964 ( 7.296 4.431 3.793) 9.341 8.014 ( -0.451 7.374 -2.512) 7.803 8.014 ( -0.451 7.374 2.512) 7.803 8.164 ( 1.535 7.164 -8.397) 11.144 8.164 ( 1.535 7.164 8.397) 11.144 8.261 ( -0.585 8.974 -2.237) 9.267 8.261 ( -0.585 8.974 2.237) 9.267 8.502 ( 3.820 -1.557 -3.616) 5.485 8.502 ( 3.820 -1.557 3.616) 5.485 8.645 ( 5.422 -2.791 -1.279) 6.231 8.645 ( 5.422 -2.791 1.279) 6.231 8.739 ( 8.563 0.324 -1.740) 8.744 8.739 ( 8.563 0.324 1.740) 8.744 8.935 ( 7.818 1.921 -2.702) 8.492 8.935 ( 7.818 1.921 2.702) 8.492 9.026 ( 4.434 -6.957 -10.624) 13.451 9.026 ( 4.434 -6.957 10.624) 13.451 9.121 ( 0.059 -5.362 -4.635) 7.087 9.121 ( 0.059 -5.362 4.635) 7.087 9.261 ( 4.094 -5.055 -2.112) 6.840 9.261 ( 4.094 -5.055 2.112) 6.840 9.408 ( 13.983 7.474 -3.848) 16.315 9.408 ( 13.983 7.474 3.848) 16.315 9.588 ( 11.664 7.335 -2.432) 13.992 9.588 ( 11.664 7.335 2.432) 13.992 9.724 ( -2.574 6.082 -4.226) 7.841 9.724 ( -2.574 6.082 4.226) 7.841 9.800 ( 0.456 3.278 -6.610) 7.392 9.800 ( 0.456 3.278 6.610) 7.392 9.902 ( 5.595 9.700 -2.117) 11.397 9.902 ( 5.595 9.700 2.117) 11.397 10.064 ( 7.920 2.918 -1.489) 8.570 10.064 ( 7.920 2.918 1.489) 8.570 10.141 ( 2.453 8.816 -2.660) 9.530 10.141 ( 2.453 8.816 2.660) 9.530 10.279 ( -2.347 1.607 -3.586) 4.577 10.279 ( -2.347 1.607 3.586) 4.577 10.465 ( 1.738 -4.613 -5.052) 7.058 10.465 ( 1.738 -4.613 5.052) 7.058 10.542 ( -4.839 2.926 -3.949) 6.898 10.542 ( -4.839 2.926 3.949) 6.898 10.656 ( 2.005 5.214 -0.849) 5.650 10.656 ( 2.005 5.214 0.849) 5.650 10.770 ( -5.645 6.511 -0.741) 8.649 10.770 ( -5.645 6.511 0.741) 8.649 10.889 ( 5.625 5.750 -2.962) 8.572 10.889 ( 5.625 5.750 2.962) 8.572 11.011 ( 3.623 8.654 -1.661) 9.527 11.011 ( 3.623 8.654 1.661) 9.527 11.218 ( 8.246 -1.242 -1.017) 8.401 11.218 ( 8.246 -1.242 1.017) 8.401 11.329 ( 1.181 -5.203 -1.368) 5.508 11.329 ( 1.181 -5.203 1.368) 5.508 11.416 ( -11.939 -9.986 -6.267) 16.779 11.416 ( -11.939 -9.986 6.267) 16.779 11.577 ( -11.121 -9.861 -5.020) 15.688 11.577 ( -11.121 -9.861 5.020) 15.688 11.774 ( -12.370 -8.218 -2.376) 15.040 11.774 ( -12.370 -8.218 2.376) 15.040 11.929 ( -12.423 -10.727 -3.744) 16.834 11.929 ( -12.423 -10.727 3.744) 16.834 12.093 ( -3.270 -3.677 -1.263) 5.081 12.093 ( -3.270 -3.677 1.263) 5.081 12.412 ( 8.105 1.923 -1.532) 8.470 12.412 ( 8.105 1.923 1.532) 8.470 12.520 ( 0.093 -5.413 -1.705) 5.676 12.520 ( 0.093 -5.413 1.705) 5.676 12.839 ( 6.207 7.180 -4.816) 10.644 12.839 ( 6.207 7.180 4.816) 10.644 13.133 ( -1.750 -3.811 -3.120) 5.227 13.133 ( -1.750 -3.811 3.120) 5.227 13.235 ( 4.244 -7.184 -1.699) 8.515 13.235 ( 4.244 -7.184 1.699) 8.515 13.335 ( 0.353 -0.267 -6.145) 6.161 13.335 ( 0.353 -0.267 6.145) 6.161 13.597 ( 4.030 -5.124 -4.359) 7.842 13.597 ( 4.030 -5.124 4.359) 7.842 13.735 ( 8.611 -2.296 -0.700) 8.939 13.735 ( 8.611 -2.296 0.700) 8.939 14.102 ( 7.607 -3.504 -2.564) 8.758 14.102 ( 7.607 -3.504 2.564) 8.758 14.414 ( 7.202 -8.935 -3.236) 11.924 14.414 ( 7.202 -8.935 3.236) 11.924 14.518 ( 7.657 -3.856 -2.559) 8.947 14.518 ( 7.657 -3.856 2.559) 8.947 14.636 ( 8.701 -9.330 -3.787) 13.308 14.636 ( 8.701 -9.330 3.787) 13.308 14.740 ( 4.564 -1.171 -1.643) 4.990 14.740 ( 4.564 -1.171 1.643) 4.990 14.771 ( 2.871 -5.092 -4.056) 7.115 14.771 ( 2.871 -5.092 4.056) 7.115 14.890 ( 6.157 -9.114 -1.989) 11.177 14.890 ( 6.157 -9.114 1.989) 11.177 15.217 ( 9.357 1.099 -11.088) 14.550 15.217 ( 9.357 1.099 11.088) 14.550 15.417 ( 8.031 7.055 -5.072) 11.832 15.417 ( 8.031 7.055 5.072) 11.832 15.675 ( 16.680 -7.803 -1.885) 18.511 15.675 ( 16.680 -7.803 1.885) 18.511 16.213 ( 13.335 16.223 -1.757) 21.073 16.213 ( 13.335 16.223 1.757) 21.073 16.459 ( 2.672 12.253 -3.488) 13.017 16.459 ( 2.672 12.253 3.488) 13.017 16.782 ( 12.796 20.982 -9.652) 26.404 16.782 ( 12.796 20.982 9.652) 26.404 17.072 ( 8.409 16.667 -3.453) 18.985 17.072 ( 8.409 16.667 3.453) 18.985 17.255 ( 4.859 -7.604 -1.633) 9.171 17.255 ( 4.859 -7.604 1.633) 9.171 17.764 ( 3.851 15.708 -0.119) 16.174 17.764 ( 3.851 15.708 0.119) 16.174 17.857 ( 9.178 13.562 -0.589) 16.386 17.857 ( 9.178 13.562 0.589) 16.386 20.210 ( -1.195 -24.830 -1.637) 24.912 20.210 ( -1.195 -24.830 1.637) 24.912 21.121 ( 7.381 -15.475 -4.749) 17.791 21.121 ( 7.381 -15.475 4.749) 17.791 21.693 ( 3.226 -15.303 -4.706) 16.332 21.693 ( 3.226 -15.303 4.706) 16.332 21.830 ( -15.290 -33.753 -2.870) 37.166 21.830 ( -15.290 -33.753 2.870) 37.166 22.389 ( -14.581 -33.855 -1.658) 36.899 22.389 ( -14.581 -33.855 1.658) 36.899 22.674 ( -10.330 -28.189 -4.147) 30.308 22.674 ( -10.330 -28.189 4.147) 30.308 ======================= Grid point 143 (45/50) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 5.312 1.567 -3.104) 6.349 2.204 ( 5.312 1.567 3.104) 6.349 2.405 ( -12.752 -4.680 -4.125) 14.196 2.405 ( -12.752 -4.680 4.125) 14.196 2.863 ( -1.338 -1.269 -6.588) 6.842 2.863 ( -1.338 -1.269 6.588) 6.842 2.967 ( -8.820 0.465 -11.518) 14.514 2.967 ( -8.820 0.465 11.518) 14.514 3.384 ( 3.115 -5.573 -7.864) 10.129 3.384 ( 3.115 -5.573 7.864) 10.129 3.538 ( -10.397 -5.534 -13.567) 17.967 3.538 ( -10.397 -5.534 13.567) 17.967 3.924 ( 1.110 2.023 -4.359) 4.932 3.924 ( 1.110 2.023 4.359) 4.932 3.986 ( -3.760 0.721 -2.623) 4.641 3.986 ( -3.760 0.721 2.623) 4.641 4.178 ( 0.655 4.362 -1.003) 4.523 4.178 ( 0.655 4.362 1.003) 4.523 4.249 ( -3.006 2.539 -1.656) 4.269 4.249 ( -3.006 2.539 1.656) 4.269 4.456 ( 3.543 -0.994 -6.937) 7.853 4.456 ( 3.543 -0.994 6.937) 7.853 4.528 ( -0.468 -1.856 -5.464) 5.789 4.528 ( -0.468 -1.856 5.464) 5.789 4.644 ( 2.604 0.872 -3.809) 4.696 4.644 ( 2.604 0.872 3.809) 4.696 4.714 ( -0.006 1.955 -4.559) 4.960 4.714 ( -0.006 1.955 4.559) 4.961 4.760 ( -2.479 5.361 -4.839) 7.635 4.760 ( -2.479 5.361 4.839) 7.635 4.900 ( -9.283 0.691 -7.348) 11.859 4.900 ( -9.283 0.691 7.348) 11.859 5.038 ( 6.123 2.036 -1.687) 6.670 5.038 ( 6.123 2.036 1.687) 6.670 5.136 ( -0.991 0.896 -6.672) 6.804 5.136 ( -0.992 0.896 6.672) 6.804 5.428 ( 2.344 2.242 -8.448) 9.049 5.428 ( 2.344 2.242 8.448) 9.049 5.516 ( -6.258 0.866 -5.688) 8.501 5.516 ( -6.258 0.866 5.688) 8.501 5.704 ( 1.984 -2.228 -6.344) 7.011 5.704 ( 1.984 -2.228 6.344) 7.011 5.746 ( -1.456 -2.415 -4.756) 5.530 5.746 ( -1.456 -2.415 4.756) 5.530 5.911 ( 2.756 9.055 -4.762) 10.595 5.911 ( 2.756 9.055 4.762) 10.595 5.994 ( -5.541 6.597 -6.833) 10.996 5.994 ( -5.542 6.597 6.833) 10.996 6.288 ( 0.859 8.033 -4.687) 9.340 6.288 ( 0.859 8.033 4.687) 9.340 6.345 ( -2.788 10.583 -2.175) 11.159 6.345 ( -2.788 10.583 2.175) 11.159 6.391 ( -2.430 10.618 -7.689) 13.333 6.391 ( -2.430 10.618 7.689) 13.333 6.416 ( -3.431 9.795 -9.144) 13.832 6.416 ( -3.431 9.795 9.144) 13.832 6.806 ( 6.948 6.878 -4.050) 10.582 6.806 ( 6.948 6.878 4.050) 10.582 6.920 ( -2.582 3.498 -1.924) 4.754 6.920 ( -2.582 3.498 1.924) 4.754 6.967 ( 9.225 0.134 -3.770) 9.967 6.967 ( 9.225 0.134 3.770) 9.967 7.141 ( -4.166 0.417 -3.816) 5.665 7.141 ( -4.166 0.417 3.816) 5.665 7.298 ( 10.228 -0.579 -4.030) 11.008 7.298 ( 10.228 -0.579 4.030) 11.008 7.418 ( 1.978 2.159 -2.005) 3.549 7.418 ( 1.978 2.159 2.005) 3.549 7.489 ( 2.045 1.386 -8.130) 8.497 7.489 ( 2.045 1.386 8.130) 8.497 7.608 ( -3.559 3.737 -5.572) 7.595 7.608 ( -3.559 3.737 5.572) 7.595 7.665 ( 8.383 8.304 -0.789) 11.826 7.665 ( 8.383 8.304 0.789) 11.826 7.785 ( -0.020 10.493 -4.856) 11.562 7.785 ( -0.020 10.493 4.856) 11.562 7.860 ( 2.294 4.946 -6.323) 8.349 7.860 ( 2.294 4.946 6.323) 8.349 7.949 ( -3.783 5.465 -5.293) 8.497 7.949 ( -3.783 5.465 5.293) 8.497 8.114 ( 2.335 10.310 -1.419) 10.666 8.114 ( 2.335 10.310 1.419) 10.666 8.149 ( 3.198 9.559 -2.658) 10.424 8.149 ( 3.198 9.559 2.658) 10.424 8.304 ( 5.508 4.159 -8.223) 10.735 8.304 ( 5.508 4.158 8.223) 10.735 8.512 ( -7.437 -3.971 -3.525) 9.138 8.512 ( -7.437 -3.971 3.525) 9.138 8.736 ( 5.634 -5.517 -7.879) 11.147 8.736 ( 5.634 -5.517 7.879) 11.147 8.843 ( -2.593 -4.803 -6.235) 8.287 8.843 ( -2.593 -4.803 6.235) 8.287 9.039 ( 7.497 0.119 -3.775) 8.394 9.039 ( 7.497 0.119 3.775) 8.394 9.137 ( 5.127 -2.757 -2.843) 6.479 9.137 ( 5.127 -2.757 2.843) 6.479 9.148 ( 2.176 -6.056 -4.525) 7.867 9.148 ( 2.175 -6.056 4.525) 7.867 9.290 ( -2.906 -4.912 -3.755) 6.832 9.290 ( -2.906 -4.912 3.755) 6.832 9.587 ( 2.657 0.028 -3.177) 4.142 9.587 ( 2.657 0.028 3.177) 4.142 9.636 ( -3.182 4.927 -2.027) 6.206 9.636 ( -3.182 4.927 2.027) 6.206 9.794 ( 5.595 5.866 -1.736) 8.290 9.794 ( 5.595 5.866 1.736) 8.290 9.864 ( 4.505 3.113 -0.702) 5.521 9.864 ( 4.505 3.113 0.702) 5.521 9.966 ( 2.026 -1.868 -2.413) 3.663 9.966 ( 2.026 -1.868 2.413) 3.663 10.115 ( -5.821 2.401 -4.910) 7.985 10.115 ( -5.821 2.401 4.910) 7.985 10.238 ( 5.535 -2.045 -2.705) 6.491 10.238 ( 5.535 -2.045 2.705) 6.491 10.253 ( 2.017 2.880 -2.315) 4.209 10.253 ( 2.017 2.880 2.315) 4.209 10.413 ( -1.384 4.833 -4.901) 7.021 10.413 ( -1.384 4.833 4.901) 7.021 10.491 ( -4.827 1.326 -3.488) 6.101 10.491 ( -4.827 1.326 3.488) 6.101 10.651 ( 6.017 2.574 -2.668) 7.067 10.651 ( 6.017 2.574 2.668) 7.067 10.763 ( 8.048 -0.618 -1.223) 8.163 10.763 ( 8.048 -0.618 1.223) 8.163 11.006 ( -13.002 -5.326 -4.114) 14.641 11.006 ( -13.002 -5.326 4.114) 14.641 11.072 ( -1.438 -1.583 -4.008) 4.543 11.072 ( -1.438 -1.583 4.008) 4.543 11.164 ( 0.181 0.436 -3.033) 3.069 11.164 ( 0.181 0.436 3.033) 3.069 11.250 ( 4.381 4.347 -1.928) 6.466 11.250 ( 4.381 4.347 1.928) 6.466 11.365 ( -11.519 -3.783 -7.172) 14.087 11.365 ( -11.519 -3.783 7.172) 14.087 11.510 ( 11.914 3.418 -1.146) 12.447 11.510 ( 11.914 3.418 1.146) 12.447 11.555 ( -13.616 -1.973 -1.192) 13.810 11.555 ( -13.616 -1.973 1.192) 13.810 11.696 ( -4.434 -1.297 -0.975) 4.722 11.696 ( -4.434 -1.297 0.975) 4.722 12.068 ( 5.417 0.020 -1.579) 5.642 12.068 ( 5.417 0.020 1.579) 5.642 12.292 ( -11.991 -4.905 -1.274) 13.018 12.292 ( -11.991 -4.905 1.274) 13.018 12.753 ( 13.422 5.438 -6.016) 15.681 12.753 ( 13.422 5.438 6.016) 15.681 12.954 ( -2.934 2.150 -5.062) 6.233 12.954 ( -2.934 2.150 5.062) 6.233 13.118 ( 4.367 3.020 -0.795) 5.369 13.118 ( 4.367 3.020 0.795) 5.369 13.229 ( -3.649 -0.187 -2.517) 4.436 13.229 ( -3.649 -0.187 2.517) 4.436 13.437 ( 7.212 -4.025 -3.060) 8.807 13.437 ( 7.212 -4.025 3.060) 8.807 13.566 ( -4.614 -1.947 -5.688) 7.579 13.566 ( -4.614 -1.947 5.688) 7.579 13.988 ( 12.125 -6.586 -3.453) 14.224 13.988 ( 12.125 -6.586 3.453) 14.223 14.158 ( -3.081 -4.818 -2.724) 6.334 14.158 ( -3.081 -4.818 2.724) 6.334 14.521 ( 3.843 -6.310 -1.516) 7.542 14.521 ( 3.843 -6.310 1.516) 7.542 14.574 ( -0.960 -4.951 -3.810) 6.321 14.574 ( -0.960 -4.951 3.810) 6.321 14.731 ( 2.195 -4.425 -1.855) 5.276 14.731 ( 2.195 -4.425 1.855) 5.276 14.763 ( -1.114 -4.655 -0.252) 4.793 14.763 ( -1.114 -4.655 0.252) 4.793 14.892 ( 6.386 -7.326 -0.484) 9.731 14.892 ( 6.386 -7.326 0.484) 9.731 14.961 ( 0.018 -6.719 -2.369) 7.124 14.961 ( 0.018 -6.719 2.369) 7.124 15.393 ( 7.001 4.326 -8.950) 12.159 15.393 ( 7.001 4.326 8.950) 12.159 15.488 ( -1.384 6.635 -6.500) 9.391 15.488 ( -1.384 6.635 6.500) 9.391 16.036 ( 17.141 -8.459 -3.108) 19.366 16.036 ( 17.141 -8.459 3.108) 19.366 16.312 ( -7.230 -3.622 -3.114) 8.665 16.312 ( -7.230 -3.622 3.114) 8.665 16.653 ( 15.802 29.454 -0.786) 33.434 16.653 ( 15.802 29.454 0.786) 33.434 16.893 ( -4.564 27.189 -3.347) 27.772 16.893 ( -4.564 27.189 3.347) 27.772 17.307 ( 14.753 23.850 -1.371) 28.078 17.307 ( 14.753 23.850 1.371) 28.078 17.406 ( 10.269 21.513 -2.937) 24.019 17.406 ( 10.269 21.514 2.937) 24.019 17.718 ( -8.284 27.851 -0.555) 29.062 17.718 ( -8.284 27.851 0.555) 29.062 17.775 ( -12.605 31.014 -0.457) 33.481 17.775 ( -12.605 31.014 0.457) 33.481 20.536 ( 27.912 -46.881 -4.009) 54.708 20.536 ( 27.912 -46.881 4.009) 54.708 21.137 ( -23.338 -42.076 -3.107) 48.215 21.137 ( -23.338 -42.076 3.107) 48.215 21.536 ( 13.496 -33.913 -1.899) 36.549 21.536 ( 13.496 -33.913 1.899) 36.549 21.893 ( -7.638 -28.195 -0.832) 29.223 21.893 ( -7.638 -28.195 0.832) 29.223 22.122 ( 2.271 -26.185 -0.680) 26.292 22.122 ( 2.271 -26.185 0.680) 26.292 22.400 ( -15.518 -25.843 -3.110) 30.304 22.400 ( -15.518 -25.843 3.110) 30.304 ======================= Grid point 153 (46/50) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 23.405 -10.664) 25.720 2.669 ( 0.000 23.405 10.664) 25.720 2.855 ( 0.000 15.630 -9.825) 18.461 2.855 ( 0.000 15.630 9.825) 18.461 3.260 ( 0.000 -0.285 -16.345) 16.347 3.260 ( 0.000 -0.285 16.345) 16.347 3.313 ( 0.000 8.801 -18.258) 20.269 3.313 ( 0.000 8.801 18.258) 20.269 3.474 ( 0.000 -0.749 -8.889) 8.921 3.474 ( 0.000 -0.749 8.889) 8.921 3.585 ( 0.000 -14.976 -5.666) 16.012 3.585 ( 0.000 -14.976 5.666) 16.012 3.805 ( 0.000 1.266 -5.137) 5.291 3.805 ( 0.000 1.266 5.137) 5.291 3.858 ( 0.000 2.958 -8.793) 9.277 3.858 ( 0.000 2.958 8.793) 9.277 3.964 ( 0.000 -3.829 -10.338) 11.024 3.964 ( 0.000 -3.829 10.338) 11.024 4.126 ( 0.000 -13.769 -12.621) 18.678 4.126 ( 0.000 -13.769 12.621) 18.678 4.458 ( 0.000 7.021 -20.660) 21.820 4.458 ( 0.000 7.021 20.660) 21.820 4.533 ( 0.000 2.389 -12.106) 12.339 4.533 ( 0.000 2.389 12.106) 12.339 4.834 ( 0.000 6.318 -10.319) 12.099 4.834 ( 0.000 6.318 10.319) 12.099 4.937 ( 0.000 -3.653 -6.130) 7.136 4.937 ( 0.000 -3.653 6.130) 7.136 5.104 ( 0.000 9.682 -4.922) 10.861 5.104 ( 0.000 9.682 4.922) 10.861 5.168 ( 0.000 5.172 -2.990) 5.975 5.168 ( 0.000 5.172 2.990) 5.975 5.377 ( 0.000 -0.442 -0.781) 0.897 5.377 ( 0.000 -0.442 0.781) 0.897 5.405 ( 0.000 -1.083 -4.701) 4.824 5.405 ( 0.000 -1.083 4.701) 4.824 5.516 ( 0.000 5.047 -5.421) 7.406 5.516 ( 0.000 5.047 5.421) 7.406 5.564 ( 0.000 3.131 -3.330) 4.571 5.564 ( 0.000 3.131 3.330) 4.571 5.771 ( 0.000 6.993 -2.566) 7.449 5.771 ( 0.000 6.993 2.566) 7.449 5.926 ( 0.000 -4.039 -5.908) 7.156 5.926 ( 0.000 -4.039 5.908) 7.157 5.960 ( 0.000 1.698 -2.064) 2.673 5.960 ( 0.000 1.698 2.064) 2.673 6.040 ( 0.000 -3.650 -6.246) 7.234 6.040 ( 0.000 -3.650 6.246) 7.234 6.218 ( 0.000 7.410 -7.427) 10.491 6.218 ( 0.000 7.410 7.427) 10.491 6.272 ( 0.000 2.931 -11.049) 11.431 6.272 ( 0.000 2.931 11.049) 11.431 6.519 ( 0.000 -0.351 -6.261) 6.271 6.519 ( 0.000 -0.351 6.261) 6.271 6.539 ( 0.000 -3.490 -10.713) 11.267 6.539 ( 0.000 -3.490 10.713) 11.267 6.725 ( 0.000 7.989 -5.363) 9.623 6.725 ( 0.000 7.989 5.363) 9.623 6.786 ( 0.000 8.778 -4.858) 10.032 6.786 ( 0.000 8.778 4.858) 10.032 6.930 ( 0.000 -7.521 -6.181) 9.735 6.930 ( 0.000 -7.521 6.181) 9.735 6.943 ( 0.000 -1.755 -2.263) 2.864 6.943 ( 0.000 -1.755 2.264) 2.864 7.068 ( 0.000 -1.933 -1.608) 2.514 7.068 ( 0.000 -1.933 1.608) 2.514 7.083 ( 0.000 -2.275 -5.973) 6.392 7.083 ( 0.000 -2.275 5.973) 6.392 7.268 ( 0.000 2.824 -11.124) 11.477 7.268 ( 0.000 2.824 11.124) 11.477 7.273 ( 0.000 2.228 -4.808) 5.300 7.273 ( 0.000 2.228 4.808) 5.300 7.416 ( 0.000 4.545 -1.368) 4.746 7.416 ( 0.000 4.545 1.368) 4.746 7.474 ( 0.000 -2.061 -2.230) 3.037 7.474 ( 0.000 -2.061 2.230) 3.037 7.844 ( 0.000 1.679 -4.204) 4.527 7.844 ( 0.000 1.679 4.204) 4.527 7.922 ( 0.000 -3.039 -2.256) 3.785 7.922 ( 0.000 -3.039 2.256) 3.785 7.984 ( 0.000 3.421 -4.419) 5.589 7.984 ( 0.000 3.421 4.419) 5.589 8.005 ( 0.000 2.861 -5.736) 6.410 8.005 ( 0.000 2.861 5.736) 6.410 8.174 ( 0.000 0.732 -5.458) 5.506 8.174 ( 0.000 0.732 5.458) 5.506 8.224 ( 0.000 -4.484 -4.739) 6.524 8.224 ( 0.000 -4.484 4.739) 6.524 8.513 ( 0.000 39.077 -0.320) 39.079 8.513 ( 0.000 39.077 0.320) 39.079 8.807 ( 0.000 8.218 -3.750) 9.033 8.807 ( 0.000 8.218 3.750) 9.033 8.873 ( 0.000 11.840 -7.945) 14.258 8.873 ( 0.000 11.840 7.945) 14.258 9.004 ( 0.000 4.129 -5.025) 6.504 9.004 ( 0.000 4.129 5.025) 6.504 9.072 ( 0.000 8.920 -6.469) 11.019 9.072 ( 0.000 8.920 6.469) 11.019 9.150 ( 0.000 5.856 -6.894) 9.045 9.150 ( 0.000 5.856 6.894) 9.045 9.315 ( 0.000 15.054 -6.236) 16.294 9.315 ( 0.000 15.054 6.236) 16.294 9.366 ( 0.000 10.641 -7.619) 13.088 9.366 ( 0.000 10.641 7.619) 13.088 9.544 ( 0.000 14.691 -4.500) 15.365 9.544 ( 0.000 14.691 4.500) 15.365 9.643 ( 0.000 0.452 -3.929) 3.955 9.643 ( 0.000 0.452 3.929) 3.955 9.961 ( 0.000 10.109 -5.829) 11.670 9.961 ( 0.000 10.109 5.829) 11.670 10.062 ( 0.000 -1.392 -5.988) 6.148 10.062 ( 0.000 -1.392 5.988) 6.148 10.181 ( 0.000 12.685 -1.254) 12.747 10.181 ( 0.000 12.685 1.254) 12.747 10.249 ( 0.000 3.952 -8.751) 9.601 10.249 ( 0.000 3.952 8.751) 9.601 10.293 ( 0.000 -8.595 -0.741) 8.627 10.293 ( 0.000 -8.595 0.741) 8.627 10.514 ( 0.000 -8.674 -1.582) 8.817 10.514 ( 0.000 -8.674 1.582) 8.817 10.650 ( 0.000 4.918 -0.942) 5.007 10.650 ( 0.000 4.918 0.942) 5.007 10.750 ( 0.000 -21.592 -3.149) 21.820 10.750 ( 0.000 -21.592 3.149) 21.820 11.036 ( 0.000 -9.039 -5.932) 10.811 11.036 ( 0.000 -9.039 5.932) 10.811 11.157 ( 0.000 -12.573 -2.308) 12.783 11.157 ( 0.000 -12.573 2.308) 12.783 11.202 ( 0.000 6.294 -3.104) 7.017 11.202 ( 0.000 6.294 3.104) 7.017 11.223 ( 0.000 -7.391 -3.435) 8.150 11.223 ( 0.000 -7.391 3.435) 8.150 11.448 ( 0.000 13.333 -1.860) 13.462 11.448 ( 0.000 13.333 1.860) 13.462 11.603 ( 0.000 10.242 -1.592) 10.365 11.603 ( 0.000 10.242 1.592) 10.365 11.819 ( 0.000 -17.291 -2.807) 17.518 11.819 ( 0.000 -17.291 2.807) 17.518 11.985 ( 0.000 -20.051 -1.388) 20.099 11.985 ( 0.000 -20.051 1.388) 20.099 12.061 ( 0.000 4.179 -3.481) 5.439 12.061 ( 0.000 4.179 3.481) 5.439 12.244 ( 0.000 -1.748 -2.634) 3.161 12.244 ( 0.000 -1.748 2.634) 3.161 12.244 ( 0.000 -14.586 -4.773) 15.347 12.244 ( 0.000 -14.586 4.773) 15.347 12.419 ( 0.000 -11.829 -4.490) 12.652 12.419 ( 0.000 -11.829 4.490) 12.652 12.830 ( 0.000 2.665 -12.966) 13.237 12.830 ( 0.000 2.665 12.966) 13.237 13.054 ( 0.000 -13.211 -7.734) 15.309 13.054 ( 0.000 -13.211 7.734) 15.309 13.245 ( 0.000 -1.133 -8.696) 8.769 13.245 ( 0.000 -1.133 8.696) 8.769 13.295 ( 0.000 -6.027 -8.926) 10.770 13.295 ( 0.000 -6.027 8.926) 10.770 13.562 ( 0.000 -2.678 -5.246) 5.891 13.562 ( 0.000 -2.678 5.246) 5.891 13.601 ( 0.000 -5.888 -6.044) 8.438 13.601 ( 0.000 -5.888 6.044) 8.438 13.775 ( 0.000 4.181 -3.101) 5.205 13.775 ( 0.000 4.181 3.101) 5.205 13.886 ( 0.000 -7.446 -1.363) 7.569 13.886 ( 0.000 -7.446 1.363) 7.569 14.052 ( 0.000 6.124 -1.509) 6.307 14.052 ( 0.000 6.124 1.509) 6.307 14.156 ( 0.000 -4.070 -2.773) 4.925 14.156 ( 0.000 -4.070 2.773) 4.925 14.381 ( 0.000 0.781 -7.513) 7.554 14.381 ( 0.000 0.781 7.513) 7.554 14.476 ( 0.000 -9.870 -16.585) 19.300 14.476 ( 0.000 -9.870 16.585) 19.300 14.601 ( 0.000 0.833 -2.698) 2.824 14.601 ( 0.000 0.833 2.698) 2.824 14.745 ( 0.000 -11.554 -5.347) 12.732 14.745 ( 0.000 -11.554 5.347) 12.732 15.276 ( 0.000 13.512 -0.841) 13.539 15.276 ( 0.000 13.512 0.841) 13.539 15.651 ( 0.000 -21.630 -5.778) 22.389 15.651 ( 0.000 -21.630 5.778) 22.389 15.942 ( 0.000 15.362 -24.523) 28.937 15.942 ( 0.000 15.362 24.523) 28.937 16.323 ( 0.000 -20.183 -28.534) 34.951 16.323 ( 0.000 -20.183 28.534) 34.951 16.735 ( 0.000 15.626 -1.209) 15.673 16.735 ( 0.000 15.626 1.209) 15.673 16.967 ( 0.000 17.677 -8.513) 19.620 16.967 ( 0.000 17.677 8.513) 19.620 17.010 ( 0.000 -10.057 -4.595) 11.057 17.010 ( 0.000 -10.057 4.596) 11.057 17.348 ( 0.000 -20.663 -8.753) 22.441 17.348 ( 0.000 -20.663 8.753) 22.441 21.602 ( 0.000 14.822 -5.831) 15.927 21.602 ( 0.000 14.822 5.831) 15.927 21.722 ( 0.000 16.031 -3.251) 16.358 21.722 ( 0.000 16.031 3.251) 16.358 21.846 ( 0.000 19.074 -12.032) 22.552 21.846 ( 0.000 19.074 12.032) 22.552 21.928 ( 0.000 -18.281 -3.225) 18.563 21.928 ( 0.000 -18.281 3.225) 18.563 22.175 ( 0.000 -25.340 -1.631) 25.393 22.175 ( 0.000 -25.340 1.631) 25.393 22.322 ( 0.000 -25.981 -6.797) 26.855 22.322 ( 0.000 -25.981 6.797) 26.855 ======================= Grid point 155 (47/50) ======================= q-point: ( 0.11 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -1.756 24.868 -2.046) 25.014 2.640 ( -1.756 24.868 2.046) 25.014 3.034 ( 5.057 -8.050 -1.345) 9.601 3.034 ( 5.057 -8.050 1.345) 9.601 3.175 ( 1.631 16.262 -15.053) 22.219 3.175 ( 1.631 16.262 15.053) 22.219 3.368 ( -6.560 -0.998 -9.644) 11.706 3.368 ( -6.560 -0.998 9.644) 11.706 3.494 ( 1.979 1.528 -3.816) 4.562 3.494 ( 1.979 1.528 3.816) 4.562 3.660 ( 8.342 -10.032 -9.395) 16.078 3.660 ( 8.342 -10.032 9.395) 16.078 3.805 ( 4.341 -0.365 -4.903) 6.559 3.805 ( 4.341 -0.365 4.903) 6.559 3.855 ( 2.883 -5.859 -3.170) 7.259 3.855 ( 2.883 -5.859 3.170) 7.259 4.072 ( 11.388 7.198 -10.055) 16.810 4.072 ( 11.388 7.198 10.055) 16.810 4.267 ( 8.016 -10.374 -8.473) 15.610 4.267 ( 8.016 -10.374 8.473) 15.610 4.341 ( -8.785 8.231 -16.024) 20.042 4.341 ( -8.785 8.231 16.024) 20.042 4.472 ( -7.970 -2.013 -17.368) 19.215 4.472 ( -7.970 -2.013 17.368) 19.215 4.805 ( 0.639 9.562 -5.814) 11.209 4.805 ( 0.639 9.562 5.814) 11.209 4.958 ( -0.091 -4.748 -8.954) 10.135 4.958 ( -0.091 -4.748 8.954) 10.135 5.098 ( -1.245 7.442 -6.380) 9.881 5.098 ( -1.245 7.442 6.380) 9.881 5.116 ( -2.418 6.607 -8.472) 11.013 5.116 ( -2.418 6.607 8.472) 11.013 5.340 ( -2.036 -0.239 -1.966) 2.840 5.340 ( -2.036 -0.239 1.966) 2.840 5.424 ( -1.294 -6.679 -6.670) 9.528 5.424 ( -1.294 -6.679 6.670) 9.528 5.486 ( 0.017 7.294 -1.222) 7.396 5.486 ( 0.017 7.294 1.222) 7.396 5.652 ( 1.953 -5.071 -2.038) 5.803 5.652 ( 1.953 -5.071 2.038) 5.803 5.824 ( -6.591 1.430 -13.905) 15.454 5.824 ( -6.591 1.430 13.905) 15.454 5.876 ( 0.166 -1.183 -12.462) 12.519 5.876 ( 0.166 -1.183 12.462) 12.519 6.136 ( 12.078 5.726 -3.633) 13.852 6.136 ( 12.078 5.726 3.633) 13.852 6.197 ( 8.862 3.855 -1.412) 9.767 6.197 ( 8.862 3.855 1.412) 9.767 6.245 ( 7.274 4.236 -1.952) 8.641 6.245 ( 7.274 4.236 1.952) 8.641 6.325 ( 1.708 -0.671 -4.188) 4.572 6.325 ( 1.708 -0.671 4.188) 4.572 6.492 ( 3.772 7.582 -4.442) 9.563 6.492 ( 3.772 7.582 4.442) 9.563 6.594 ( 0.399 2.736 -4.095) 4.941 6.594 ( 0.399 2.736 4.095) 4.941 6.686 ( -1.575 3.778 -0.933) 4.198 6.686 ( -1.575 3.778 0.933) 4.198 6.759 ( -8.262 1.664 -4.661) 9.631 6.759 ( -8.262 1.664 4.661) 9.631 6.841 ( 2.086 2.006 -7.412) 7.957 6.841 ( 2.086 2.006 7.412) 7.957 6.954 ( 3.065 -6.838 -0.840) 7.541 6.954 ( 3.065 -6.838 0.840) 7.541 7.050 ( -0.529 4.011 -3.093) 5.093 7.050 ( -0.529 4.011 3.093) 5.093 7.166 ( 1.588 -3.964 -5.525) 6.983 7.166 ( 1.588 -3.964 5.525) 6.983 7.267 ( 4.619 3.252 -5.115) 7.621 7.267 ( 4.619 3.252 5.115) 7.621 7.312 ( 6.553 -0.820 -5.325) 8.483 7.312 ( 6.553 -0.820 5.325) 8.483 7.487 ( 2.317 4.016 -3.994) 6.120 7.487 ( 2.317 4.016 3.994) 6.120 7.549 ( 6.809 -2.100 -7.859) 10.609 7.549 ( 6.809 -2.100 7.859) 10.609 7.818 ( 1.424 6.103 -6.681) 9.160 7.818 ( 1.424 6.103 6.681) 9.160 7.909 ( -0.920 -2.003 -5.126) 5.580 7.909 ( -0.920 -2.003 5.126) 5.580 8.025 ( 4.191 4.216 -0.511) 5.967 8.025 ( 4.191 4.216 0.511) 5.967 8.069 ( 4.505 -0.828 -3.419) 5.716 8.069 ( 4.505 -0.828 3.419) 5.716 8.174 ( 1.386 6.183 -0.363) 6.347 8.174 ( 1.386 6.183 0.363) 6.347 8.332 ( 6.151 -8.569 -2.129) 10.761 8.332 ( 6.151 -8.569 2.129) 10.761 8.593 ( 5.244 28.979 -2.786) 29.581 8.593 ( 5.244 28.979 2.786) 29.581 8.774 ( -1.478 9.205 -2.222) 9.584 8.774 ( -1.478 9.205 2.222) 9.584 8.830 ( -5.163 5.003 -1.090) 7.272 8.830 ( -5.163 5.003 1.090) 7.272 8.938 ( -2.829 5.503 -1.727) 6.425 8.938 ( -2.829 5.503 1.727) 6.425 9.136 ( 1.065 2.780 -4.997) 5.817 9.136 ( 1.065 2.780 4.997) 5.817 9.178 ( 1.942 2.334 -4.499) 5.428 9.178 ( 1.942 2.334 4.499) 5.428 9.335 ( 4.681 16.559 -1.794) 17.301 9.335 ( 4.681 16.559 1.794) 17.301 9.498 ( 4.996 15.886 -5.424) 17.514 9.498 ( 4.996 15.886 5.424) 17.514 9.561 ( 8.134 6.973 -4.210) 11.512 9.561 ( 8.134 6.973 4.210) 11.512 9.744 ( 10.633 2.943 -6.033) 12.575 9.744 ( 10.633 2.943 6.033) 12.575 9.901 ( -4.097 7.677 -3.235) 9.284 9.901 ( -4.097 7.677 3.235) 9.284 10.067 ( -0.055 -6.155 -4.337) 7.530 10.067 ( -0.055 -6.155 4.337) 7.530 10.181 ( -0.105 8.233 -0.925) 8.285 10.181 ( -0.105 8.233 0.925) 8.285 10.219 ( -0.206 4.990 -6.487) 8.187 10.219 ( -0.206 4.990 6.487) 8.187 10.291 ( -0.372 0.195 -0.285) 0.507 10.291 ( -0.372 0.195 0.285) 0.507 10.547 ( 1.619 -5.496 -3.321) 6.623 10.547 ( 1.619 -5.496 3.321) 6.623 10.678 ( 2.079 -3.552 -2.188) 4.661 10.678 ( 2.079 -3.552 2.188) 4.661 10.779 ( 3.516 -15.176 -2.094) 15.718 10.779 ( 3.516 -15.176 2.094) 15.718 11.034 ( -0.406 -1.835 -3.663) 4.118 11.034 ( -0.406 -1.835 3.663) 4.118 11.142 ( -2.297 3.905 -1.987) 4.947 11.142 ( -2.297 3.905 1.987) 4.947 11.207 ( 2.148 2.673 -0.447) 3.458 11.207 ( 2.148 2.673 0.447) 3.458 11.279 ( 3.681 -4.113 -1.037) 5.616 11.279 ( 3.681 -4.113 1.037) 5.616 11.453 ( -1.469 3.148 -2.910) 4.531 11.453 ( -1.469 3.148 2.910) 4.531 11.565 ( -1.825 4.951 -2.625) 5.893 11.565 ( -1.825 4.951 2.625) 5.893 11.729 ( -6.785 -16.661 -4.627) 18.575 11.729 ( -6.785 -16.661 4.627) 18.575 11.908 ( -6.392 -20.082 -2.869) 21.269 11.908 ( -6.392 -20.082 2.869) 21.269 12.139 ( 2.589 0.861 -2.014) 3.391 12.139 ( 2.589 0.861 2.014) 3.391 12.181 ( 1.608 0.038 -2.616) 3.071 12.181 ( 1.608 0.038 2.616) 3.071 12.310 ( 1.240 -6.816 -2.014) 7.215 12.310 ( 1.240 -6.816 2.014) 7.215 12.495 ( 7.178 -11.999 -3.958) 14.532 12.495 ( 7.178 -11.999 3.958) 14.532 12.862 ( 3.395 0.113 -12.542) 12.994 12.862 ( 3.395 0.113 12.542) 12.994 13.037 ( -1.091 -11.759 -7.885) 14.200 13.037 ( -1.091 -11.759 7.885) 14.200 13.266 ( 1.218 -1.238 -7.281) 7.485 13.266 ( 1.218 -1.238 7.281) 7.485 13.298 ( 0.518 -4.067 -9.322) 10.184 13.298 ( 0.518 -4.067 9.322) 10.184 13.627 ( 7.256 1.521 -4.464) 8.654 13.627 ( 7.256 1.521 4.464) 8.654 13.714 ( 8.376 -5.320 -3.422) 10.497 13.714 ( 8.376 -5.320 3.422) 10.497 13.864 ( 8.122 3.449 -3.809) 9.611 13.864 ( 8.122 3.449 3.809) 9.611 13.977 ( 7.951 -6.404 -0.707) 10.234 13.977 ( 7.951 -6.404 0.707) 10.234 14.150 ( 8.197 4.881 -1.403) 9.643 14.150 ( 8.197 4.881 1.403) 9.643 14.261 ( 9.824 -3.081 -2.260) 10.541 14.261 ( 9.824 -3.081 2.260) 10.541 14.452 ( 6.590 -0.597 -7.987) 10.372 14.452 ( 6.590 -0.597 7.987) 10.372 14.504 ( 2.748 -8.653 -15.355) 17.838 14.504 ( 2.748 -8.653 15.355) 17.838 14.746 ( 11.885 -2.970 -1.779) 12.379 14.746 ( 11.885 -2.970 1.779) 12.379 14.819 ( 8.193 -9.083 -5.369) 13.359 14.819 ( 8.193 -9.083 5.369) 13.359 15.320 ( 4.849 14.964 -1.674) 15.819 15.320 ( 4.849 14.964 1.674) 15.819 15.737 ( 8.585 -24.248 -5.690) 26.345 15.737 ( 8.585 -24.248 5.690) 26.345 16.038 ( 9.400 14.908 -21.604) 27.880 16.038 ( 9.400 14.908 21.604) 27.880 16.411 ( 8.708 -18.884 -23.762) 31.577 16.411 ( 8.708 -18.884 23.762) 31.577 16.787 ( 5.234 15.378 -1.151) 16.285 16.787 ( 5.234 15.378 1.151) 16.285 16.986 ( 2.471 16.970 -6.020) 18.175 16.986 ( 2.471 16.970 6.020) 18.175 17.069 ( 5.874 -9.794 -5.720) 12.773 17.069 ( 5.874 -9.794 5.720) 12.773 17.364 ( 2.047 -19.485 -5.990) 20.487 17.364 ( 2.047 -19.485 5.990) 20.487 21.400 ( -19.277 17.112 -5.064) 26.269 21.400 ( -19.277 17.112 5.064) 26.269 21.606 ( -9.388 21.315 -2.728) 23.450 21.606 ( -9.388 21.315 2.728) 23.450 21.811 ( -4.907 9.488 -9.061) 14.007 21.811 ( -4.907 9.488 9.061) 14.007 21.832 ( -7.964 -14.370 -4.512) 17.038 21.832 ( -7.964 -14.370 4.512) 17.038 22.130 ( -4.663 -27.205 -0.807) 27.613 22.130 ( -4.663 -27.205 0.807) 27.613 22.306 ( -1.652 -26.692 -6.439) 27.508 22.306 ( -1.652 -26.692 6.439) 27.508 ======================= Grid point 157 (48/50) ======================= q-point: ( 0.22 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -9.145 17.551 -14.015) 24.250 2.530 ( -9.145 17.551 14.015) 24.250 2.845 ( -16.907 -11.802 -14.343) 25.117 2.845 ( -16.907 -11.802 14.343) 25.117 3.188 ( -2.153 5.843 -6.273) 8.839 3.188 ( -2.153 5.843 6.273) 8.839 3.320 ( -1.758 -3.669 -5.439) 6.792 3.320 ( -1.758 -3.669 5.439) 6.792 3.505 ( -1.593 10.594 -0.273) 10.717 3.505 ( -1.593 10.594 0.273) 10.717 3.757 ( -0.465 -9.999 -2.289) 10.268 3.757 ( -0.465 -9.999 2.289) 10.268 3.968 ( 5.083 3.093 -8.205) 10.135 3.968 ( 5.083 3.093 8.205) 10.135 4.037 ( 7.709 -2.694 -6.150) 10.223 4.037 ( 7.709 -2.694 6.150) 10.223 4.144 ( 0.866 3.046 -5.870) 6.669 4.144 ( 0.866 3.046 5.870) 6.669 4.191 ( -4.585 -0.733 -11.542) 12.441 4.191 ( -4.585 -0.733 11.542) 12.441 4.414 ( 11.621 4.048 -9.963) 15.833 4.414 ( 11.621 4.048 9.963) 15.833 4.519 ( 9.922 -5.999 -11.053) 16.019 4.519 ( 9.922 -5.999 11.053) 16.019 4.766 ( -10.464 8.369 -9.722) 16.555 4.766 ( -10.464 8.369 9.722) 16.555 4.851 ( -5.878 1.776 -4.816) 7.803 4.851 ( -5.878 1.776 4.816) 7.803 5.004 ( -5.625 0.862 -4.595) 7.314 5.004 ( -5.625 0.862 4.595) 7.314 5.081 ( -4.993 -2.608 -3.212) 6.484 5.081 ( -4.993 -2.608 3.212) 6.484 5.256 ( -3.347 2.658 -5.974) 7.345 5.256 ( -3.347 2.658 5.974) 7.345 5.325 ( -5.977 -1.747 -8.281) 10.361 5.325 ( -5.977 -1.747 8.281) 10.361 5.527 ( -3.533 5.175 -1.415) 6.424 5.527 ( -3.533 5.175 1.415) 6.424 5.617 ( -4.744 -2.236 -1.568) 5.474 5.617 ( -4.744 -2.236 1.568) 5.474 5.696 ( -3.622 3.096 -6.549) 8.098 5.696 ( -3.622 3.096 6.549) 8.098 5.796 ( -4.068 -5.082 -6.998) 9.558 5.796 ( -4.068 -5.082 6.998) 9.558 6.202 ( -5.272 10.619 -5.244) 12.964 6.202 ( -5.272 10.619 5.244) 12.964 6.273 ( 1.479 2.554 -11.565) 11.936 6.273 ( 1.479 2.554 11.565) 11.936 6.343 ( 0.787 2.569 -3.657) 4.538 6.343 ( 0.787 2.569 3.657) 4.538 6.386 ( -1.981 3.164 -6.892) 7.838 6.386 ( -1.981 3.164 6.892) 7.838 6.536 ( 6.054 2.804 -3.609) 7.585 6.536 ( 6.054 2.804 3.609) 7.585 6.607 ( 2.643 -1.436 -1.629) 3.421 6.607 ( 2.643 -1.436 1.629) 3.421 6.677 ( 0.718 1.887 -6.702) 6.999 6.677 ( 0.718 1.887 6.702) 6.999 6.760 ( 5.897 1.795 -1.074) 6.257 6.760 ( 5.897 1.795 1.074) 6.257 6.880 ( 1.077 3.398 -11.016) 11.578 6.880 ( 1.077 3.398 11.016) 11.578 7.004 ( 0.117 -4.008 -7.324) 8.350 7.004 ( 0.117 -4.008 7.324) 8.350 7.161 ( 9.132 5.187 -6.024) 12.108 7.161 ( 9.132 5.187 6.024) 12.108 7.258 ( 7.050 -0.186 -0.502) 7.071 7.258 ( 7.050 -0.186 0.502) 7.071 7.390 ( 6.342 2.965 -3.708) 7.922 7.390 ( 6.342 2.965 3.708) 7.922 7.455 ( 2.789 -0.315 -3.001) 4.109 7.455 ( 2.789 -0.315 3.001) 4.109 7.585 ( 8.633 6.938 -2.635) 11.384 7.585 ( 8.633 6.938 2.635) 11.384 7.694 ( 11.223 -3.242 -3.885) 12.311 7.694 ( 11.223 -3.242 3.885) 12.311 7.909 ( 1.444 7.869 -1.537) 8.147 7.909 ( 1.444 7.869 1.537) 8.147 7.995 ( 7.005 1.462 -6.081) 9.390 7.995 ( 7.005 1.462 6.081) 9.390 8.111 ( 4.945 7.010 -1.297) 8.676 8.111 ( 4.945 7.010 1.297) 8.676 8.157 ( 5.238 -1.334 -1.695) 5.665 8.157 ( 5.238 -1.334 1.695) 5.665 8.255 ( 7.816 3.919 -6.471) 10.877 8.255 ( 7.816 3.919 6.471) 10.877 8.400 ( 0.698 -8.385 -3.010) 8.936 8.400 ( 0.698 -8.385 3.010) 8.936 8.622 ( -5.878 10.119 -0.712) 11.724 8.622 ( -5.878 10.119 0.712) 11.724 8.721 ( -1.132 5.712 -2.593) 6.375 8.721 ( -1.132 5.712 2.593) 6.375 8.805 ( 4.238 0.548 -3.518) 5.535 8.805 ( 4.238 0.548 3.518) 5.535 8.903 ( 0.372 0.336 -5.767) 5.788 8.903 ( 0.372 0.336 5.767) 5.788 9.081 ( -3.448 -1.767 -3.424) 5.171 9.081 ( -3.448 -1.767 3.424) 5.171 9.141 ( -5.432 -6.986 -5.068) 10.198 9.141 ( -5.432 -6.986 5.068) 10.198 9.467 ( 7.367 17.873 -1.955) 19.430 9.467 ( 7.367 17.873 1.955) 19.430 9.664 ( 6.513 19.763 -3.796) 21.152 9.664 ( 6.513 19.763 3.796) 21.152 9.746 ( 5.953 -2.914 -3.781) 7.631 9.746 ( 5.953 -2.914 3.781) 7.631 9.902 ( 6.176 10.695 -3.139) 12.743 9.902 ( 6.176 10.695 3.139) 12.743 10.010 ( 9.858 3.950 -1.449) 10.719 10.010 ( 9.858 3.950 1.449) 10.719 10.075 ( 1.971 -9.451 -4.587) 10.689 10.075 ( 1.971 -9.451 4.587) 10.689 10.188 ( 0.153 5.046 -3.545) 6.168 10.188 ( 0.153 5.045 3.545) 6.168 10.242 ( 2.929 9.119 -3.266) 10.120 10.242 ( 2.929 9.119 3.267) 10.120 10.323 ( 4.129 -2.844 -2.146) 5.453 10.323 ( 4.129 -2.844 2.146) 5.453 10.574 ( 1.763 -2.099 -3.682) 4.590 10.574 ( 1.763 -2.099 3.682) 4.590 10.700 ( -0.765 -6.211 -2.271) 6.658 10.700 ( -0.765 -6.211 2.271) 6.658 10.883 ( 6.040 -9.652 -1.005) 11.430 10.883 ( 6.040 -9.652 1.005) 11.430 10.992 ( -4.910 11.312 -1.473) 12.419 10.992 ( -4.910 11.312 1.473) 12.419 11.142 ( 2.522 10.550 -4.782) 11.854 11.142 ( 2.522 10.550 4.782) 11.854 11.224 ( -1.410 1.082 -2.164) 2.800 11.224 ( -1.410 1.082 2.164) 2.800 11.277 ( -1.130 8.965 -1.070) 9.099 11.277 ( -1.130 8.965 1.070) 9.099 11.437 ( -2.597 4.094 -3.036) 5.720 11.437 ( -2.597 4.094 3.036) 5.720 11.499 ( -6.376 -13.023 -3.452) 14.906 11.499 ( -6.376 -13.023 3.452) 14.906 11.604 ( -2.664 -19.318 -3.432) 19.801 11.604 ( -2.664 -19.318 3.432) 19.801 11.788 ( -4.035 -17.903 -3.718) 18.725 11.788 ( -4.035 -17.903 3.718) 18.725 12.110 ( -2.136 1.973 -1.020) 3.081 12.110 ( -2.136 1.973 1.020) 3.081 12.276 ( 1.703 -10.179 -1.266) 10.398 12.276 ( 1.703 -10.179 1.266) 10.398 12.372 ( 7.693 10.395 -3.082) 13.294 12.372 ( 7.693 10.395 3.082) 13.294 12.659 ( 7.350 -12.255 -2.568) 14.519 12.659 ( 7.350 -12.255 2.568) 14.519 12.978 ( 7.688 0.455 -9.364) 12.124 12.978 ( 7.688 0.455 9.364) 12.124 13.063 ( 4.126 -4.930 -4.584) 7.896 13.063 ( 4.126 -4.930 4.584) 7.896 13.303 ( 3.454 -2.137 -2.482) 4.759 13.303 ( 3.454 -2.137 2.482) 4.759 13.313 ( 1.368 -2.866 -8.117) 8.716 13.313 ( 1.368 -2.866 8.117) 8.716 13.818 ( 5.823 6.585 -4.268) 9.772 13.818 ( 5.823 6.585 4.268) 9.772 13.865 ( 8.707 0.612 -4.764) 9.944 13.865 ( 8.707 0.612 4.764) 9.944 14.075 ( 11.363 -2.083 -4.817) 12.516 14.075 ( 11.363 -2.083 4.817) 12.516 14.178 ( 10.484 -9.342 -1.375) 14.110 14.178 ( 10.484 -9.342 1.375) 14.110 14.340 ( 9.588 4.337 -2.135) 10.738 14.340 ( 9.588 4.337 2.135) 10.738 14.504 ( 9.958 -8.992 -3.611) 13.895 14.504 ( 9.958 -8.992 3.611) 13.895 14.597 ( 7.326 -1.408 -8.425) 11.253 14.597 ( 7.326 -1.408 8.425) 11.253 14.620 ( 8.283 -1.572 -7.796) 11.483 14.620 ( 8.283 -1.572 7.796) 11.483 14.994 ( 13.374 1.098 -9.409) 16.389 14.994 ( 13.374 1.098 9.409) 16.389 15.104 ( 16.240 -8.896 -6.303) 19.560 15.104 ( 16.240 -8.896 6.303) 19.560 15.501 ( 12.170 18.303 -3.007) 22.185 15.501 ( 12.170 18.303 3.007) 22.185 15.979 ( 12.506 -24.489 -3.073) 27.669 15.979 ( 12.506 -24.489 3.073) 27.669 16.333 ( 18.604 14.079 -13.326) 26.869 16.333 ( 18.604 14.079 13.326) 26.869 16.692 ( 18.240 -13.682 -9.407) 24.665 16.692 ( 18.240 -13.682 9.407) 24.665 16.966 ( 12.528 14.737 -4.440) 19.846 16.966 ( 12.528 14.737 4.440) 19.846 17.119 ( 12.061 16.547 -1.570) 20.536 17.119 ( 12.061 16.547 1.570) 20.536 17.271 ( 14.089 -12.724 -7.488) 20.408 17.271 ( 14.089 -12.724 7.488) 20.408 17.481 ( 11.260 -16.211 -0.645) 19.748 17.481 ( 11.260 -16.211 0.645) 19.748 20.875 ( -29.636 25.425 -3.395) 39.195 20.875 ( -29.636 25.425 3.395) 39.195 21.367 ( -13.343 20.360 -2.396) 24.460 21.367 ( -13.343 20.360 2.396) 24.460 21.496 ( -20.677 -29.842 -3.354) 36.460 21.496 ( -20.677 -29.842 3.355) 36.460 21.755 ( -3.497 13.265 -6.270) 15.083 21.755 ( -3.497 13.265 6.270) 15.083 21.977 ( -9.950 -28.454 -1.218) 30.168 21.977 ( -9.950 -28.454 1.218) 30.168 22.245 ( -4.479 -27.146 -5.646) 28.086 22.245 ( -4.479 -27.146 5.646) 28.086 ======================= Grid point 159 (49/50) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -7.828 8.404 -14.027) 18.130 2.337 ( -7.828 8.404 14.027) 18.130 2.512 ( -13.123 -8.622 -13.729) 20.858 2.512 ( -13.123 -8.622 13.729) 20.858 3.069 ( -9.982 4.359 -1.521) 10.998 3.069 ( -9.982 4.359 1.521) 10.998 3.173 ( -9.485 -3.485 -3.963) 10.854 3.173 ( -9.485 -3.485 3.963) 10.854 3.409 ( -7.111 8.484 -5.633) 12.421 3.409 ( -7.111 8.484 5.633) 12.421 3.630 ( -11.363 -9.745 -13.274) 20.007 3.630 ( -11.363 -9.745 13.274) 20.007 3.983 ( -0.314 3.626 -12.352) 12.877 3.983 ( -0.314 3.626 12.352) 12.877 4.076 ( 0.514 -3.873 -7.171) 8.166 4.076 ( 0.514 -3.872 7.171) 8.166 4.208 ( 3.125 4.684 -2.113) 6.014 4.208 ( 3.125 4.683 2.113) 6.014 4.300 ( 5.364 -2.930 -5.393) 8.151 4.300 ( 5.364 -2.930 5.393) 8.151 4.446 ( -7.185 3.529 -8.783) 11.883 4.446 ( -7.185 3.529 8.783) 11.883 4.517 ( -7.636 -2.217 -7.374) 10.845 4.517 ( -7.636 -2.217 7.374) 10.845 4.717 ( 0.713 5.914 -1.267) 6.090 4.717 ( 0.713 5.914 1.267) 6.090 4.800 ( 0.597 -1.115 -3.927) 4.126 4.800 ( 0.597 -1.115 3.927) 4.126 4.908 ( -2.658 -0.002 -1.085) 2.871 4.908 ( -2.658 -0.002 1.085) 2.871 4.964 ( -4.184 -3.595 -2.387) 6.010 4.964 ( -4.184 -3.595 2.387) 6.010 5.091 ( -8.249 5.982 -3.366) 10.732 5.091 ( -8.249 5.982 3.366) 10.732 5.180 ( -7.007 -1.466 -9.516) 11.908 5.180 ( -7.007 -1.466 9.516) 11.908 5.443 ( 0.054 4.181 -9.121) 10.033 5.443 ( 0.054 4.181 9.121) 10.033 5.534 ( -1.758 -4.239 -5.699) 7.317 5.534 ( -1.758 -4.239 5.699) 7.317 5.696 ( -0.271 -0.436 -3.067) 3.110 5.696 ( -0.271 -0.436 3.067) 3.110 5.716 ( -3.300 -2.441 -2.870) 5.009 5.716 ( -3.300 -2.441 2.870) 5.009 6.086 ( -4.007 7.893 -1.077) 8.917 6.086 ( -4.007 7.893 1.077) 8.917 6.185 ( -6.511 -1.342 -2.780) 7.206 6.185 ( -6.511 -1.342 2.780) 7.206 6.383 ( 2.682 6.727 -4.510) 8.531 6.383 ( 2.682 6.727 4.510) 8.531 6.456 ( 4.394 1.875 -4.176) 6.346 6.456 ( 4.394 1.875 4.176) 6.346 6.580 ( -0.799 2.338 -1.306) 2.795 6.580 ( -0.799 2.338 1.306) 2.795 6.651 ( 4.380 -2.622 -2.861) 5.852 6.651 ( 4.380 -2.622 2.861) 5.852 6.773 ( 5.615 9.239 -6.224) 12.475 6.773 ( 5.615 9.239 6.224) 12.475 6.840 ( 0.952 4.239 -12.588) 13.317 6.840 ( 0.952 4.239 12.588) 13.317 6.958 ( 7.086 -0.451 -5.912) 9.240 6.958 ( 7.086 -0.451 5.912) 9.240 7.049 ( 2.404 -5.504 -3.159) 6.786 7.049 ( 2.404 -5.504 3.159) 6.786 7.247 ( 1.728 4.842 -2.925) 5.915 7.247 ( 1.728 4.842 2.925) 5.915 7.356 ( 2.056 -3.114 -4.670) 5.977 7.356 ( 2.056 -3.114 4.670) 5.977 7.502 ( 7.165 8.124 -4.111) 11.586 7.502 ( 7.165 8.124 4.111) 11.586 7.586 ( 5.630 2.759 -5.755) 8.511 7.586 ( 5.630 2.759 5.755) 8.511 7.751 ( 2.406 3.820 -0.779) 4.581 7.751 ( 2.406 3.820 0.779) 4.581 7.806 ( 2.190 2.325 -5.191) 6.095 7.806 ( 2.190 2.325 5.191) 6.095 8.023 ( 8.328 5.098 -8.842) 13.173 8.023 ( 8.328 5.098 8.842) 13.173 8.056 ( 1.798 3.441 -7.702) 8.625 8.056 ( 1.798 3.441 7.702) 8.625 8.145 ( -1.087 3.530 -6.481) 7.460 8.145 ( -1.087 3.530 6.481) 7.460 8.244 ( -0.899 -2.589 -1.030) 2.928 8.244 ( -0.899 -2.589 1.030) 2.928 8.406 ( 1.491 5.339 -1.049) 5.642 8.406 ( 1.491 5.339 1.049) 5.642 8.483 ( 2.243 -1.504 -1.661) 3.171 8.483 ( 2.243 -1.504 1.661) 3.171 8.532 ( 7.114 2.159 -3.191) 8.091 8.532 ( 7.114 2.159 3.191) 8.091 8.704 ( 1.136 -6.233 -3.241) 7.116 8.704 ( 1.136 -6.233 3.241) 7.116 8.927 ( 6.176 -0.325 -6.427) 8.919 8.927 ( 6.176 -0.325 6.427) 8.919 8.955 ( 3.139 -1.488 -8.462) 9.148 8.955 ( 3.139 -1.488 8.462) 9.148 9.046 ( 0.923 -0.843 -5.194) 5.342 9.046 ( 0.923 -0.843 5.194) 5.342 9.113 ( 4.641 -6.621 -3.462) 8.796 9.113 ( 4.641 -6.621 3.462) 8.796 9.578 ( 2.520 7.966 -2.711) 8.784 9.578 ( 2.520 7.966 2.711) 8.784 9.706 ( -0.975 -2.927 -0.357) 3.106 9.706 ( -0.976 -2.927 0.357) 3.106 9.816 ( 2.284 10.007 -1.732) 10.409 9.816 ( 2.284 10.007 1.732) 10.409 9.967 ( -0.692 8.461 -3.498) 9.181 9.967 ( -0.692 8.461 3.498) 9.181 10.041 ( -2.361 -0.750 -3.006) 3.896 10.041 ( -2.361 -0.750 3.006) 3.896 10.164 ( -0.418 6.640 -3.459) 7.499 10.164 ( -0.418 6.640 3.459) 7.499 10.210 ( 4.541 -0.456 -1.475) 4.796 10.210 ( 4.541 -0.456 1.475) 4.796 10.323 ( 0.808 -0.063 -3.560) 3.651 10.323 ( 0.808 -0.063 3.560) 3.651 10.422 ( 5.541 3.635 -4.176) 7.833 10.422 ( 5.541 3.635 4.176) 7.833 10.575 ( -2.822 -7.902 -3.831) 9.224 10.575 ( -2.822 -7.902 3.831) 9.224 10.696 ( 2.122 6.817 -1.774) 7.357 10.696 ( 2.122 6.817 1.774) 7.357 10.847 ( -7.510 8.842 -1.040) 11.647 10.847 ( -7.510 8.842 1.040) 11.647 10.996 ( 0.546 -8.673 -0.726) 8.720 10.996 ( 0.546 -8.673 0.726) 8.720 11.113 ( -5.319 -7.934 -2.611) 9.902 11.113 ( -5.319 -7.934 2.611) 9.902 11.164 ( -4.338 2.496 -3.388) 6.044 11.164 ( -4.338 2.496 3.388) 6.044 11.292 ( -0.957 0.793 -4.416) 4.588 11.292 ( -0.957 0.793 4.416) 4.588 11.384 ( 5.216 9.320 -2.956) 11.082 11.384 ( 5.216 9.320 2.956) 11.082 11.418 ( 0.367 3.112 -4.718) 5.664 11.418 ( 0.367 3.112 4.718) 5.664 11.604 ( 1.109 -8.758 -1.628) 8.977 11.604 ( 1.109 -8.758 1.628) 8.977 11.682 ( -6.768 -13.747 -0.253) 15.324 11.682 ( -6.768 -13.747 0.253) 15.324 12.074 ( -1.331 3.922 -0.954) 4.250 12.074 ( -1.331 3.922 0.954) 4.250 12.256 ( -3.235 -12.203 -0.477) 12.633 12.256 ( -3.235 -12.203 0.477) 12.633 12.597 ( 12.617 9.410 -5.219) 16.582 12.597 ( 12.617 9.410 5.219) 16.582 12.806 ( 7.480 -9.449 -5.449) 13.226 12.806 ( 7.480 -9.449 5.449) 13.226 13.117 ( 0.912 1.675 -2.081) 2.822 13.117 ( 0.912 1.675 2.081) 2.822 13.164 ( 6.036 -1.324 -3.609) 7.157 13.164 ( 6.036 -1.324 3.609) 7.157 13.343 ( 4.629 4.123 -3.104) 6.932 13.343 ( 4.629 4.123 3.104) 6.932 13.481 ( 11.247 -6.998 -4.065) 13.856 13.481 ( 11.247 -6.998 4.065) 13.856 13.848 ( -0.268 10.116 -2.767) 10.491 13.848 ( -0.268 10.116 2.767) 10.491 14.029 ( 3.955 -5.842 -2.501) 7.485 14.029 ( 3.955 -5.842 2.501) 7.485 14.294 ( 10.010 -0.186 -2.187) 10.248 14.294 ( 10.010 -0.186 2.187) 10.248 14.417 ( 11.856 -10.205 -3.746) 16.086 14.417 ( 11.856 -10.205 3.746) 16.086 14.495 ( 4.418 2.166 -2.206) 5.392 14.495 ( 4.418 2.166 2.206) 5.392 14.611 ( 2.482 -8.414 -2.386) 9.091 14.611 ( 2.482 -8.414 2.386) 9.091 14.745 ( 5.149 1.443 -5.638) 7.770 14.745 ( 5.149 1.443 5.638) 7.770 14.792 ( 6.979 -2.645 -5.766) 9.431 14.792 ( 6.979 -2.645 5.766) 9.431 15.287 ( 13.753 5.871 -11.024) 18.578 15.287 ( 13.753 5.871 11.024) 18.578 15.443 ( 16.101 -8.246 -6.031) 19.068 15.443 ( 16.101 -8.246 6.031) 19.068 15.726 ( 6.899 17.052 -3.840) 18.792 15.726 ( 6.899 17.052 3.840) 18.792 16.143 ( 1.787 -20.335 -4.455) 20.894 16.143 ( 1.787 -20.335 4.455) 20.894 16.772 ( 22.924 21.793 -3.300) 31.801 16.772 ( 22.924 21.793 3.300) 31.801 17.081 ( 16.634 -0.591 -2.199) 16.789 17.081 ( 16.634 -0.591 2.199) 16.789 17.316 ( 20.929 15.645 -0.780) 26.142 17.316 ( 20.929 15.645 0.780) 26.142 17.478 ( 20.895 19.405 -0.352) 28.518 17.478 ( 20.895 19.405 0.352) 28.518 17.715 ( 28.551 -18.260 -0.680) 33.898 17.715 ( 28.551 -18.260 0.680) 33.898 17.841 ( 20.720 -10.730 -1.360) 23.373 17.841 ( 20.720 -10.730 1.360) 23.373 20.250 ( -28.389 24.664 -2.529) 37.692 20.250 ( -28.389 24.664 2.529) 37.692 20.938 ( -29.023 -34.999 -3.258) 45.584 20.938 ( -29.023 -34.999 3.258) 45.584 21.153 ( -9.451 10.732 -1.514) 14.380 21.153 ( -9.451 10.732 1.514) 14.380 21.626 ( -12.143 -19.695 -0.878) 23.154 21.626 ( -12.143 -19.695 0.878) 23.154 21.789 ( -4.161 -3.423 -3.943) 6.677 21.789 ( -4.161 -3.423 3.943) 6.677 22.117 ( -7.760 -24.618 -4.379) 26.181 22.117 ( -7.760 -24.618 4.379) 26.181 ======================= Grid point 161 (50/50) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.577 2.537 -5.866) 6.417 2.245 ( -0.577 2.537 5.866) 6.417 2.313 ( -6.651 -4.142 -5.213) 9.411 2.313 ( -6.651 -4.142 5.213) 9.411 2.924 ( -1.137 6.196 -2.963) 6.961 2.924 ( -1.137 6.196 2.963) 6.961 3.006 ( -6.595 0.869 -6.328) 9.181 3.006 ( -6.595 0.869 6.328) 9.181 3.271 ( -2.930 -2.638 -0.849) 4.033 3.271 ( -2.930 -2.638 0.849) 4.033 3.366 ( -11.026 -9.483 -7.127) 16.196 3.366 ( -11.026 -9.483 7.127) 16.196 3.972 ( -1.099 2.944 -4.600) 5.570 3.972 ( -1.099 2.944 4.600) 5.570 4.011 ( -5.058 0.119 -2.969) 5.866 4.011 ( -5.058 0.120 2.969) 5.866 4.247 ( 1.962 4.186 -6.035) 7.602 4.247 ( 1.962 4.186 6.035) 7.602 4.314 ( -3.324 3.350 -6.558) 8.079 4.314 ( -3.324 3.350 6.558) 8.079 4.373 ( 0.232 -6.233 -8.479) 10.525 4.373 ( 0.232 -6.233 8.479) 10.525 4.404 ( -3.046 -6.621 -9.471) 11.951 4.404 ( -3.046 -6.621 9.471) 11.951 4.664 ( -0.692 1.657 -0.824) 1.975 4.664 ( -0.692 1.657 0.824) 1.976 4.705 ( -4.865 -2.017 -3.072) 6.097 4.705 ( -4.865 -2.017 3.072) 6.097 4.906 ( 2.932 7.439 -1.814) 8.200 4.906 ( 2.932 7.440 1.814) 8.200 4.975 ( -2.652 3.605 -3.609) 5.749 4.975 ( -2.652 3.604 3.609) 5.749 5.049 ( 2.957 -0.849 -2.003) 3.671 5.049 ( 2.957 -0.849 2.003) 3.671 5.100 ( -1.280 -3.733 -7.725) 8.675 5.100 ( -1.280 -3.733 7.725) 8.675 5.464 ( 1.206 1.605 -8.072) 8.318 5.464 ( 1.206 1.605 8.072) 8.318 5.500 ( -2.203 -1.800 -2.281) 3.646 5.500 ( -2.203 -1.800 2.281) 3.647 5.680 ( 0.421 -0.222 -1.303) 1.387 5.680 ( 0.421 -0.222 1.303) 1.387 5.695 ( -0.578 -1.801 -5.606) 5.917 5.695 ( -0.578 -1.801 5.606) 5.917 6.047 ( 0.311 4.262 -2.292) 4.850 6.047 ( 0.311 4.262 2.292) 4.850 6.082 ( -3.076 1.189 -1.924) 3.818 6.082 ( -3.076 1.189 1.924) 3.818 6.395 ( 0.349 4.142 -5.223) 6.675 6.395 ( 0.349 4.142 5.223) 6.675 6.437 ( -3.472 0.561 -3.079) 4.675 6.437 ( -3.472 0.561 3.079) 4.675 6.646 ( 4.667 12.609 -7.162) 15.233 6.646 ( 4.667 12.609 7.162) 15.233 6.738 ( -3.232 14.461 -5.681) 15.870 6.738 ( -3.232 14.461 5.681) 15.870 6.851 ( 8.309 -6.118 -5.462) 11.674 6.851 ( 8.309 -6.118 5.462) 11.674 6.915 ( 3.253 0.660 -4.013) 5.208 6.915 ( 3.253 0.660 4.013) 5.208 7.032 ( 1.138 2.104 -1.339) 2.741 7.032 ( 1.138 2.104 1.339) 2.741 7.089 ( -0.387 -4.048 -3.218) 5.186 7.089 ( -0.387 -4.048 3.218) 5.186 7.287 ( 3.140 1.635 -1.658) 3.909 7.287 ( 3.140 1.635 1.658) 3.909 7.370 ( -2.483 -5.110 -5.094) 7.630 7.370 ( -2.483 -5.110 5.094) 7.630 7.580 ( 2.941 5.944 -5.990) 8.936 7.580 ( 2.941 5.944 5.990) 8.936 7.654 ( -1.840 -0.135 -1.959) 2.691 7.654 ( -1.840 -0.135 1.959) 2.691 7.799 ( 6.121 4.146 -2.428) 7.782 7.799 ( 6.121 4.146 2.428) 7.782 7.855 ( 1.143 -0.778 -3.082) 3.377 7.855 ( 1.143 -0.778 3.082) 3.377 8.030 ( -2.205 8.953 -10.241) 13.780 8.030 ( -2.205 8.953 10.241) 13.780 8.066 ( -3.947 6.059 -8.456) 11.126 8.066 ( -3.947 6.059 8.456) 11.126 8.170 ( 3.108 -2.711 -7.415) 8.485 8.170 ( 3.108 -2.711 7.415) 8.485 8.240 ( -1.794 -7.162 -0.348) 7.391 8.240 ( -1.794 -7.162 0.348) 7.391 8.379 ( 3.156 7.577 -2.890) 8.701 8.379 ( 3.156 7.577 2.890) 8.701 8.479 ( -3.604 -1.594 -2.668) 4.759 8.479 ( -3.604 -1.594 2.668) 4.759 8.704 ( 7.598 3.373 -0.595) 8.334 8.704 ( 7.598 3.373 0.595) 8.334 8.785 ( 1.877 -2.773 -2.753) 4.335 8.785 ( 1.877 -2.773 2.753) 4.335 9.026 ( 3.935 -0.282 -6.138) 7.297 9.026 ( 3.935 -0.282 6.138) 7.296 9.051 ( 2.999 -2.420 -5.135) 6.421 9.051 ( 2.999 -2.420 5.136) 6.421 9.112 ( 4.748 0.987 -4.895) 6.891 9.112 ( 4.748 0.987 4.895) 6.891 9.189 ( -0.120 -5.043 -4.445) 6.723 9.189 ( -0.120 -5.043 4.445) 6.723 9.591 ( 0.709 1.348 -3.439) 3.761 9.591 ( 0.709 1.348 3.439) 3.761 9.647 ( -3.918 -3.157 -1.415) 5.226 9.647 ( -3.918 -3.157 1.415) 5.227 9.906 ( 4.545 3.291 -1.343) 5.770 9.906 ( 4.545 3.291 1.343) 5.770 9.949 ( 3.303 0.476 -2.163) 3.977 9.949 ( 3.303 0.476 2.163) 3.977 9.991 ( -3.417 8.082 -0.505) 8.789 9.991 ( -3.417 8.082 0.505) 8.789 10.120 ( -7.475 -3.045 -5.083) 9.539 10.120 ( -7.475 -3.045 5.083) 9.539 10.213 ( 3.043 3.419 -1.221) 4.737 10.213 ( 3.043 3.419 1.221) 4.737 10.304 ( -2.728 -2.797 -1.226) 4.095 10.304 ( -2.728 -2.797 1.226) 4.095 10.520 ( 1.869 3.978 -5.328) 6.907 10.520 ( 1.869 3.978 5.328) 6.907 10.537 ( -0.371 2.601 -1.772) 3.169 10.537 ( -0.372 2.601 1.772) 3.169 10.725 ( 0.477 5.155 -0.690) 5.222 10.725 ( 0.477 5.155 0.690) 5.222 10.759 ( 0.459 0.999 -0.695) 1.301 10.759 ( 0.459 0.999 0.695) 1.301 10.881 ( -6.289 -5.320 -1.131) 8.315 10.881 ( -6.289 -5.320 1.131) 8.315 10.934 ( -7.472 -8.960 -1.613) 11.777 10.934 ( -7.472 -8.960 1.613) 11.777 11.211 ( 4.374 3.222 -1.444) 5.621 11.211 ( 4.374 3.222 1.444) 5.621 11.281 ( -1.494 -3.659 -4.244) 5.799 11.281 ( -1.494 -3.659 4.244) 5.799 11.378 ( 1.055 6.057 -0.896) 6.213 11.378 ( 1.055 6.057 0.896) 6.213 11.489 ( -7.906 -4.463 -0.834) 9.117 11.489 ( -7.906 -4.463 0.834) 9.117 11.608 ( 8.528 5.329 -0.632) 10.076 11.608 ( 8.528 5.329 0.632) 10.076 11.679 ( 1.947 -1.246 -0.363) 2.340 11.679 ( 1.947 -1.246 0.363) 2.340 12.064 ( 1.324 0.867 -1.002) 1.873 12.064 ( 1.324 0.867 1.002) 1.873 12.152 ( -6.067 -7.376 -0.152) 9.552 12.152 ( -6.067 -7.376 0.152) 9.552 12.840 ( 9.679 4.604 -5.703) 12.141 12.840 ( 9.679 4.604 5.703) 12.141 12.935 ( 2.450 -3.323 -1.115) 4.276 12.935 ( 2.450 -3.323 1.115) 4.276 13.106 ( -0.040 -0.804 -1.835) 2.004 13.106 ( -0.040 -0.804 1.835) 2.004 13.164 ( -3.565 -5.148 -5.577) 8.385 13.164 ( -3.565 -5.148 5.577) 8.385 13.521 ( 9.165 9.220 -5.454) 14.098 13.521 ( 9.165 9.220 5.454) 14.098 13.635 ( 0.215 2.325 -0.731) 2.447 13.635 ( 0.215 2.325 0.731) 2.447 13.884 ( 5.838 -0.632 -0.401) 5.885 13.884 ( 5.838 -0.632 0.401) 5.885 14.017 ( -4.544 -9.141 -2.805) 10.587 14.017 ( -4.544 -9.141 2.805) 10.587 14.468 ( 5.449 1.874 -2.389) 6.237 14.468 ( 5.449 1.874 2.389) 6.237 14.519 ( -0.368 -0.557 -2.346) 2.439 14.519 ( -0.368 -0.557 2.346) 2.439 14.612 ( 4.955 -5.240 -2.865) 7.760 14.612 ( 4.955 -5.240 2.865) 7.760 14.649 ( 1.204 -6.470 -4.662) 8.065 14.649 ( 1.204 -6.470 4.663) 8.066 14.823 ( 2.956 0.496 -1.190) 3.225 14.823 ( 2.956 0.496 1.190) 3.225 14.864 ( 0.077 -3.143 -2.921) 4.291 14.864 ( 0.077 -3.143 2.921) 4.291 15.538 ( 10.369 9.698 -8.074) 16.332 15.538 ( 10.369 9.698 8.074) 16.333 15.680 ( -0.011 7.595 -3.916) 8.545 15.680 ( -0.011 7.595 3.916) 8.545 15.826 ( 9.958 -6.165 -3.132) 12.123 15.826 ( 9.958 -6.165 3.132) 12.123 16.057 ( -9.059 -16.564 -5.201) 19.583 16.057 ( -9.059 -16.564 5.201) 19.583 17.179 ( 13.828 18.700 -0.318) 23.259 17.179 ( 13.828 18.700 0.318) 23.259 17.296 ( 2.805 8.498 -0.521) 8.965 17.296 ( 2.805 8.498 0.521) 8.965 17.817 ( 23.631 24.795 -2.615) 34.352 17.817 ( 23.631 24.795 2.615) 34.352 17.909 ( 16.888 21.381 -0.554) 27.251 17.909 ( 16.888 21.381 0.554) 27.251 18.100 ( 6.690 6.226 -0.804) 9.174 18.100 ( 6.690 6.226 0.804) 9.174 18.216 ( 5.747 3.970 -0.421) 6.998 18.216 ( 5.747 3.970 0.421) 6.998 19.892 ( 0.895 -6.932 -0.522) 7.009 19.892 ( 0.895 -6.932 0.522) 7.009 20.296 ( -30.529 -37.192 -3.770) 48.265 20.296 ( -30.529 -37.192 3.770) 48.265 21.089 ( 4.171 -6.098 -1.498) 7.538 21.089 ( 4.171 -6.098 1.498) 7.538 21.310 ( -15.371 -24.457 -1.143) 28.909 21.310 ( -15.371 -24.457 1.143) 28.909 21.804 ( 4.306 -4.352 -0.808) 6.175 21.804 ( 4.306 -4.352 0.808) 6.175 21.942 ( -8.384 -16.728 -2.308) 18.853 21.942 ( -8.384 -16.728 2.308) 18.854 =================== 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 3/33048 10.0 205.780 185.097 76.324 0.000 0.000 0.000 3/33048 20.0 40.352 30.000 22.972 0.000 0.000 0.000 3/33048 30.0 17.510 13.130 10.287 0.000 0.000 -0.000 3/33048 40.0 10.043 7.733 5.948 0.000 0.000 -0.000 3/33048 50.0 6.688 5.274 4.017 0.000 0.000 -0.000 3/33048 60.0 4.923 3.965 2.986 0.000 0.000 -0.000 3/33048 70.0 3.890 3.189 2.363 0.000 0.000 -0.000 3/33048 80.0 3.234 2.688 1.952 0.000 0.000 -0.000 3/33048 90.0 2.788 2.343 1.663 0.000 0.000 -0.000 3/33048 100.0 2.468 2.093 1.450 0.000 0.000 -0.000 3/33048 110.0 2.228 1.903 1.286 0.000 0.000 -0.000 3/33048 120.0 2.040 1.754 1.157 0.000 0.000 -0.000 3/33048 130.0 1.889 1.635 1.053 0.000 0.000 -0.000 3/33048 140.0 1.764 1.537 0.966 0.000 0.000 -0.000 3/33048 150.0 1.659 1.454 0.894 0.000 0.000 -0.000 3/33048 160.0 1.568 1.384 0.832 0.000 0.000 -0.000 3/33048 170.0 1.488 1.324 0.779 0.000 0.000 -0.000 3/33048 180.0 1.418 1.271 0.732 0.000 0.000 -0.000 3/33048 190.0 1.355 1.223 0.691 0.000 0.000 -0.000 3/33048 200.0 1.298 1.181 0.655 0.000 0.000 -0.000 3/33048 210.0 1.247 1.143 0.623 0.000 0.000 -0.000 3/33048 220.0 1.199 1.108 0.594 0.000 0.000 -0.000 3/33048 230.0 1.156 1.076 0.567 0.000 0.000 -0.000 3/33048 240.0 1.116 1.046 0.543 0.000 0.000 -0.000 3/33048 250.0 1.079 1.018 0.521 0.000 0.000 -0.000 3/33048 260.0 1.044 0.992 0.501 0.000 0.000 -0.000 3/33048 270.0 1.011 0.967 0.482 0.000 0.000 -0.000 3/33048 280.0 0.981 0.944 0.465 0.000 0.000 -0.000 3/33048 290.0 0.952 0.922 0.449 0.000 0.000 -0.000 3/33048 300.0 0.925 0.901 0.434 0.000 0.000 -0.000 3/33048 310.0 0.900 0.881 0.420 0.000 0.000 -0.000 3/33048 320.0 0.876 0.862 0.407 0.000 0.000 -0.000 3/33048 330.0 0.853 0.843 0.395 0.000 0.000 -0.000 3/33048 340.0 0.831 0.826 0.383 0.000 0.000 -0.000 3/33048 350.0 0.810 0.809 0.373 0.000 0.000 -0.000 3/33048 360.0 0.791 0.792 0.362 0.000 0.000 -0.000 3/33048 370.0 0.772 0.777 0.353 0.000 0.000 -0.000 3/33048 380.0 0.754 0.762 0.344 0.000 0.000 -0.000 3/33048 390.0 0.737 0.747 0.335 0.000 0.000 -0.000 3/33048 400.0 0.720 0.733 0.327 0.000 0.000 -0.000 3/33048 410.0 0.705 0.719 0.319 0.000 0.000 -0.000 3/33048 420.0 0.690 0.706 0.311 0.000 0.000 -0.000 3/33048 430.0 0.675 0.694 0.304 0.000 0.000 -0.000 3/33048 440.0 0.662 0.681 0.297 0.000 0.000 -0.000 3/33048 450.0 0.648 0.669 0.291 0.000 0.000 -0.000 3/33048 460.0 0.635 0.658 0.285 0.000 0.000 -0.000 3/33048 470.0 0.623 0.647 0.279 0.000 0.000 -0.000 3/33048 480.0 0.611 0.636 0.273 0.000 0.000 -0.000 3/33048 490.0 0.600 0.625 0.267 0.000 0.000 -0.000 3/33048 500.0 0.589 0.615 0.262 0.000 0.000 -0.000 3/33048 510.0 0.578 0.605 0.257 0.000 0.000 -0.000 3/33048 520.0 0.568 0.596 0.252 0.000 0.000 -0.000 3/33048 530.0 0.558 0.586 0.248 0.000 0.000 -0.000 3/33048 540.0 0.549 0.577 0.243 0.000 0.000 -0.000 3/33048 550.0 0.539 0.569 0.239 0.000 0.000 -0.000 3/33048 560.0 0.530 0.560 0.234 0.000 0.000 -0.000 3/33048 570.0 0.522 0.552 0.230 0.000 0.000 -0.000 3/33048 580.0 0.513 0.544 0.226 0.000 0.000 -0.000 3/33048 590.0 0.505 0.536 0.223 0.000 0.000 -0.000 3/33048 600.0 0.497 0.528 0.219 0.000 0.000 -0.000 3/33048 610.0 0.490 0.521 0.215 0.000 0.000 -0.000 3/33048 620.0 0.482 0.513 0.212 0.000 0.000 -0.000 3/33048 630.0 0.475 0.506 0.209 0.000 0.000 -0.000 3/33048 640.0 0.468 0.499 0.205 0.000 0.000 -0.000 3/33048 650.0 0.461 0.493 0.202 0.000 0.000 -0.000 3/33048 660.0 0.455 0.486 0.199 0.000 0.000 -0.000 3/33048 670.0 0.448 0.480 0.196 0.000 0.000 -0.000 3/33048 680.0 0.442 0.473 0.194 0.000 0.000 -0.000 3/33048 690.0 0.436 0.467 0.191 0.000 0.000 -0.000 3/33048 700.0 0.430 0.461 0.188 0.000 0.000 -0.000 3/33048 710.0 0.424 0.456 0.185 0.000 0.000 -0.000 3/33048 720.0 0.418 0.450 0.183 0.000 0.000 -0.000 3/33048 730.0 0.413 0.444 0.180 0.000 0.000 -0.000 3/33048 740.0 0.408 0.439 0.178 0.000 0.000 -0.000 3/33048 750.0 0.402 0.434 0.176 0.000 0.000 -0.000 3/33048 760.0 0.397 0.428 0.173 0.000 0.000 -0.000 3/33048 770.0 0.392 0.423 0.171 0.000 0.000 -0.000 3/33048 780.0 0.388 0.419 0.169 0.000 0.000 -0.000 3/33048 790.0 0.383 0.414 0.167 0.000 0.000 -0.000 3/33048 800.0 0.378 0.409 0.165 0.000 0.000 -0.000 3/33048 810.0 0.374 0.404 0.163 0.000 0.000 -0.000 3/33048 820.0 0.369 0.400 0.161 0.000 0.000 -0.000 3/33048 830.0 0.365 0.395 0.159 0.000 0.000 -0.000 3/33048 840.0 0.361 0.391 0.157 0.000 0.000 -0.000 3/33048 850.0 0.357 0.387 0.155 0.000 0.000 -0.000 3/33048 860.0 0.353 0.383 0.153 0.000 0.000 -0.000 3/33048 870.0 0.349 0.379 0.152 0.000 0.000 -0.000 3/33048 880.0 0.345 0.375 0.150 0.000 0.000 -0.000 3/33048 890.0 0.341 0.371 0.148 0.000 0.000 -0.000 3/33048 900.0 0.338 0.367 0.147 0.000 0.000 -0.000 3/33048 910.0 0.334 0.363 0.145 0.000 0.000 -0.000 3/33048 920.0 0.330 0.359 0.143 0.000 0.000 -0.000 3/33048 930.0 0.327 0.356 0.142 0.000 0.000 -0.000 3/33048 940.0 0.324 0.352 0.140 0.000 0.000 -0.000 3/33048 950.0 0.320 0.349 0.139 0.000 0.000 -0.000 3/33048 960.0 0.317 0.345 0.137 0.000 0.000 -0.000 3/33048 970.0 0.314 0.342 0.136 0.000 0.000 -0.000 3/33048 980.0 0.311 0.339 0.135 0.000 0.000 -0.000 3/33048 990.0 0.308 0.336 0.133 0.000 0.000 -0.000 3/33048 1000.0 0.305 0.332 0.132 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m992.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:39:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|