----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:20:04]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.219675375151652 -5.364842030000000 0.000000000000000 b 4.219675375151652 5.364842030000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): *1 Ba 0.26913258015678 0.18438096237358 0.97390297697961 137.327 2 Ba 0.18438096237358 0.26913258015678 0.47390297697961 137.327 3 Ba 0.81561903762642 0.73086741984322 0.52609702302039 137.327 4 Ba 0.73086741984322 0.81561903762642 0.02609702302039 137.327 *5 Zn 0.74172987381555 0.25827012618445 0.75000000000000 65.380 6 Zn 0.25827012618445 0.74172987381555 0.25000000000000 65.380 *7 Si 0.39583065236614 0.83279414521251 0.63710977488998 28.085 8 Si 0.16720585478749 0.60416934763386 0.86289022511002 28.085 9 Si 0.60416934763386 0.16720585478749 0.36289022511002 28.085 10 Si 0.83279414521251 0.39583065236614 0.13710977488998 28.085 *11 O 0.32560583627477 0.61836956073212 0.04540994548490 15.999 *12 O 0.95831808276565 0.64586565887538 0.23634497416454 15.999 *13 O 0.23980945813531 0.97776697467991 0.63303948660453 15.999 14 O 0.02223302532009 0.76019054186469 0.86696051339547 15.999 *15 O 0.33515613595969 0.66484386404031 0.75000000000000 15.999 16 O 0.04168191723435 0.35413434112462 0.76365502583546 15.999 17 O 0.66484386404031 0.33515613595969 0.25000000000000 15.999 18 O 0.64586565887538 0.95831808276565 0.73634497416454 15.999 19 O 0.61836956073212 0.32560583627477 0.54540994548490 15.999 20 O 0.76019054186469 0.02223302532009 0.36696051339547 15.999 21 O 0.67439416372523 0.38163043926788 0.95459005451510 15.999 22 O 0.97776697467991 0.23980945813531 0.13303948660452 15.999 23 O 0.35413434112462 0.04168191723435 0.26365502583546 15.999 24 O 0.38163043926788 0.67439416372523 0.45459005451510 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.439350750303305 0.000000000000000 0.000000000000000 b 0.000000000000000 10.729684060000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): *1 Ba 0.22675677126518 0.95762419110840 0.97390297697961 137.327 > 1 2 Ba 0.22675677126518 0.04237580889160 0.47390297697961 137.327 > 2 3 Ba 0.77324322873482 0.95762419110840 0.52609702302039 137.327 > 3 4 Ba 0.77324322873482 0.04237580889160 0.02609702302039 137.327 > 4 5 Ba 0.72675677126518 0.45762419110840 0.97390297697961 137.327 > 1 6 Ba 0.72675677126518 0.54237580889160 0.47390297697961 137.327 > 2 7 Ba 0.27324322873482 0.45762419110840 0.52609702302039 137.327 > 3 8 Ba 0.27324322873482 0.54237580889160 0.02609702302039 137.327 > 4 *9 Zn 0.50000000000000 0.75827012618445 0.75000000000000 65.380 > 5 10 Zn 0.50000000000000 0.24172987381555 0.25000000000000 65.380 > 6 11 Zn 0.00000000000000 0.25827012618445 0.75000000000000 65.380 > 5 12 Zn 0.00000000000000 0.74172987381555 0.25000000000000 65.380 > 6 *13 Si 0.61431239878933 0.21848174642319 0.63710977488998 28.085 > 7 14 Si 0.38568760121068 0.21848174642319 0.86289022511002 28.085 > 8 15 Si 0.38568760121068 0.78151825357681 0.36289022511002 28.085 > 9 16 Si 0.61431239878933 0.78151825357681 0.13710977488998 28.085 > 10 17 Si 0.11431239878933 0.71848174642319 0.63710977488998 28.085 > 7 18 Si 0.88568760121067 0.71848174642319 0.86289022511002 28.085 > 8 19 Si 0.88568760121067 0.28151825357681 0.36289022511002 28.085 > 9 20 Si 0.11431239878933 0.28151825357681 0.13710977488998 28.085 > 10 *21 O 0.47198769850344 0.14638186222867 0.04540994548490 15.999 > 11 *22 O 0.80209187082052 0.84377378805486 0.23634497416454 15.999 > 12 *23 O 0.60878821640761 0.36897875827230 0.63303948660453 15.999 > 13 24 O 0.39121178359239 0.36897875827230 0.86696051339547 15.999 > 14 *25 O 0.50000000000000 0.16484386404031 0.75000000000000 15.999 > 15 26 O 0.19790812917948 0.15622621194514 0.76365502583546 15.999 > 16 27 O 0.50000000000000 0.83515613595969 0.25000000000000 15.999 > 17 28 O 0.80209187082052 0.15622621194514 0.73634497416454 15.999 > 18 29 O 0.47198769850344 0.85361813777133 0.54540994548490 15.999 > 19 30 O 0.39121178359239 0.63102124172770 0.36696051339547 15.999 > 20 31 O 0.52801230149656 0.85361813777133 0.95459005451510 15.999 > 21 32 O 0.60878821640761 0.63102124172770 0.13303948660452 15.999 > 22 33 O 0.19790812917948 0.84377378805486 0.26365502583546 15.999 > 23 34 O 0.52801230149656 0.14638186222867 0.45459005451510 15.999 > 24 35 O 0.97198769850344 0.64638186222867 0.04540994548490 15.999 > 11 36 O 0.30209187082052 0.34377378805486 0.23634497416454 15.999 > 12 37 O 0.10878821640761 0.86897875827230 0.63303948660453 15.999 > 13 38 O 0.89121178359239 0.86897875827230 0.86696051339547 15.999 > 14 39 O 0.00000000000000 0.66484386404031 0.75000000000000 15.999 > 15 40 O 0.69790812917948 0.65622621194514 0.76365502583546 15.999 > 16 41 O 0.00000000000000 0.33515613595969 0.25000000000000 15.999 > 17 42 O 0.30209187082052 0.65622621194514 0.73634497416454 15.999 > 18 43 O 0.97198769850344 0.35361813777133 0.54540994548490 15.999 > 19 44 O 0.89121178359239 0.13102124172770 0.36696051339547 15.999 > 20 45 O 0.02801230149656 0.35361813777133 0.95459005451510 15.999 > 21 46 O 0.10878821640761 0.13102124172770 0.13303948660452 15.999 > 22 47 O 0.69790812917948 0.34377378805486 0.26365502583546 15.999 > 23 48 O 0.02801230149656 0.64638186222867 0.45459005451510 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.878701500606610 0.000000000000000 0.000000000000000 b 0.000000000000000 10.729684060000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): *1 Ba 0.11337838563259 0.95762419110840 0.97390297697961 137.327 > 1 2 Ba 0.61337838563259 0.95762419110840 0.97390297697961 137.327 > 1 3 Ba 0.11337838563259 0.04237580889160 0.47390297697961 137.327 > 2 4 Ba 0.61337838563259 0.04237580889160 0.47390297697961 137.327 > 2 5 Ba 0.38662161436741 0.95762419110840 0.52609702302039 137.327 > 3 6 Ba 0.88662161436741 0.95762419110840 0.52609702302039 137.327 > 3 7 Ba 0.38662161436741 0.04237580889160 0.02609702302039 137.327 > 4 8 Ba 0.88662161436741 0.04237580889160 0.02609702302039 137.327 > 4 9 Ba 0.36337838563259 0.45762419110840 0.97390297697961 137.327 > 1 10 Ba 0.86337838563259 0.45762419110840 0.97390297697961 137.327 > 1 11 Ba 0.36337838563259 0.54237580889160 0.47390297697961 137.327 > 2 12 Ba 0.86337838563259 0.54237580889160 0.47390297697961 137.327 > 2 13 Ba 0.13662161436741 0.45762419110840 0.52609702302039 137.327 > 3 14 Ba 0.63662161436741 0.45762419110840 0.52609702302039 137.327 > 3 15 Ba 0.13662161436741 0.54237580889160 0.02609702302039 137.327 > 4 16 Ba 0.63662161436741 0.54237580889160 0.02609702302039 137.327 > 4 *17 Zn 0.25000000000000 0.75827012618445 0.75000000000000 65.380 > 5 18 Zn 0.75000000000000 0.75827012618445 0.75000000000000 65.380 > 5 19 Zn 0.25000000000000 0.24172987381555 0.25000000000000 65.380 > 6 20 Zn 0.75000000000000 0.24172987381555 0.25000000000000 65.380 > 6 21 Zn 0.00000000000000 0.25827012618445 0.75000000000000 65.380 > 5 22 Zn 0.50000000000000 0.25827012618445 0.75000000000000 65.380 > 5 23 Zn 0.00000000000000 0.74172987381555 0.25000000000000 65.380 > 6 24 Zn 0.50000000000000 0.74172987381555 0.25000000000000 65.380 > 6 *25 Si 0.30715619939466 0.21848174642319 0.63710977488998 28.085 > 7 26 Si 0.80715619939466 0.21848174642319 0.63710977488998 28.085 > 7 27 Si 0.19284380060534 0.21848174642319 0.86289022511002 28.085 > 8 28 Si 0.69284380060534 0.21848174642319 0.86289022511002 28.085 > 8 29 Si 0.19284380060534 0.78151825357681 0.36289022511002 28.085 > 9 30 Si 0.69284380060534 0.78151825357681 0.36289022511002 28.085 > 9 31 Si 0.30715619939466 0.78151825357681 0.13710977488998 28.085 > 10 32 Si 0.80715619939466 0.78151825357681 0.13710977488998 28.085 > 10 33 Si 0.05715619939466 0.71848174642319 0.63710977488998 28.085 > 7 34 Si 0.55715619939466 0.71848174642319 0.63710977488998 28.085 > 7 35 Si 0.44284380060534 0.71848174642319 0.86289022511002 28.085 > 8 36 Si 0.94284380060534 0.71848174642319 0.86289022511002 28.085 > 8 37 Si 0.44284380060534 0.28151825357681 0.36289022511002 28.085 > 9 38 Si 0.94284380060534 0.28151825357681 0.36289022511002 28.085 > 9 39 Si 0.05715619939466 0.28151825357681 0.13710977488998 28.085 > 10 40 Si 0.55715619939466 0.28151825357681 0.13710977488998 28.085 > 10 *41 O 0.23599384925172 0.14638186222867 0.04540994548490 15.999 > 11 42 O 0.73599384925172 0.14638186222867 0.04540994548490 15.999 > 11 *43 O 0.40104593541026 0.84377378805486 0.23634497416454 15.999 > 12 44 O 0.90104593541026 0.84377378805486 0.23634497416454 15.999 > 12 *45 O 0.30439410820381 0.36897875827230 0.63303948660453 15.999 > 13 46 O 0.80439410820381 0.36897875827230 0.63303948660453 15.999 > 13 47 O 0.19560589179619 0.36897875827230 0.86696051339547 15.999 > 14 48 O 0.69560589179619 0.36897875827230 0.86696051339547 15.999 > 14 *49 O 0.25000000000000 0.16484386404031 0.75000000000000 15.999 > 15 50 O 0.75000000000000 0.16484386404031 0.75000000000000 15.999 > 15 51 O 0.09895406458974 0.15622621194514 0.76365502583546 15.999 > 16 52 O 0.59895406458974 0.15622621194514 0.76365502583546 15.999 > 16 53 O 0.25000000000000 0.83515613595969 0.25000000000000 15.999 > 17 54 O 0.75000000000000 0.83515613595969 0.25000000000000 15.999 > 17 55 O 0.40104593541026 0.15622621194514 0.73634497416454 15.999 > 18 56 O 0.90104593541026 0.15622621194514 0.73634497416454 15.999 > 18 57 O 0.23599384925172 0.85361813777133 0.54540994548490 15.999 > 19 58 O 0.73599384925172 0.85361813777133 0.54540994548490 15.999 > 19 59 O 0.19560589179619 0.63102124172770 0.36696051339547 15.999 > 20 60 O 0.69560589179619 0.63102124172770 0.36696051339547 15.999 > 20 61 O 0.26400615074828 0.85361813777133 0.95459005451510 15.999 > 21 62 O 0.76400615074828 0.85361813777133 0.95459005451510 15.999 > 21 63 O 0.30439410820381 0.63102124172770 0.13303948660452 15.999 > 22 64 O 0.80439410820381 0.63102124172770 0.13303948660452 15.999 > 22 65 O 0.09895406458974 0.84377378805486 0.26365502583546 15.999 > 23 66 O 0.59895406458974 0.84377378805486 0.26365502583546 15.999 > 23 67 O 0.26400615074828 0.14638186222867 0.45459005451510 15.999 > 24 68 O 0.76400615074828 0.14638186222867 0.45459005451510 15.999 > 24 69 O 0.48599384925172 0.64638186222867 0.04540994548490 15.999 > 11 70 O 0.98599384925172 0.64638186222867 0.04540994548490 15.999 > 11 71 O 0.15104593541026 0.34377378805486 0.23634497416454 15.999 > 12 72 O 0.65104593541026 0.34377378805486 0.23634497416454 15.999 > 12 73 O 0.05439410820381 0.86897875827230 0.63303948660453 15.999 > 13 74 O 0.55439410820381 0.86897875827230 0.63303948660453 15.999 > 13 75 O 0.44560589179619 0.86897875827230 0.86696051339547 15.999 > 14 76 O 0.94560589179619 0.86897875827230 0.86696051339547 15.999 > 14 77 O 0.00000000000000 0.66484386404031 0.75000000000000 15.999 > 15 78 O 0.50000000000000 0.66484386404031 0.75000000000000 15.999 > 15 79 O 0.34895406458974 0.65622621194514 0.76365502583546 15.999 > 16 80 O 0.84895406458974 0.65622621194514 0.76365502583546 15.999 > 16 81 O 0.00000000000000 0.33515613595969 0.25000000000000 15.999 > 17 82 O 0.50000000000000 0.33515613595969 0.25000000000000 15.999 > 17 83 O 0.15104593541026 0.65622621194514 0.73634497416454 15.999 > 18 84 O 0.65104593541026 0.65622621194514 0.73634497416454 15.999 > 18 85 O 0.48599384925172 0.35361813777133 0.54540994548490 15.999 > 19 86 O 0.98599384925172 0.35361813777133 0.54540994548490 15.999 > 19 87 O 0.44560589179619 0.13102124172770 0.36696051339547 15.999 > 20 88 O 0.94560589179619 0.13102124172770 0.36696051339547 15.999 > 20 89 O 0.01400615074828 0.35361813777133 0.95459005451510 15.999 > 21 90 O 0.51400615074828 0.35361813777133 0.95459005451510 15.999 > 21 91 O 0.05439410820381 0.13102124172770 0.13303948660452 15.999 > 22 92 O 0.55439410820381 0.13102124172770 0.13303948660452 15.999 > 22 93 O 0.34895406458974 0.34377378805486 0.26365502583546 15.999 > 23 94 O 0.84895406458974 0.34377378805486 0.26365502583546 15.999 > 23 95 O 0.01400615074828 0.64638186222867 0.45459005451510 15.999 > 24 96 O 0.51400615074828 0.64638186222867 0.45459005451510 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2240386 0.0000000 -0.0484962 0.0000000 3.2000701 0.0000000 -0.0484969 0.0000000 3.1995551 -------------------------- Born effective charges -------------------------- 1 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 2 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 3 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 4 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 5 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 6 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 7 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 8 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 9 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 10 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 11 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 12 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 13 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 14 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 15 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 16 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 17 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 18 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 19 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 20 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 21 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 22 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 23 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 24 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 242 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 242 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 14), data: (568, 24) @ (24, 14) |-- (68, 62), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 14), data: (568, 24) @ (24, 14) |-- (68, 62), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 16), data: (584, 29) @ (29, 16) |-- (84, 77), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.754 Solver_block: 200 / 720 - Time: 0.649 Solver_block: 300 / 720 - Time: 0.646 Solver_block: 400 / 720 - Time: 0.654 Solver_block: 500 / 720 - Time: 0.653 Solver_block: 600 / 720 - Time: 0.644 Solver_block: 700 / 720 - Time: 0.632 Solver_block: 720 / 720 - Time: 0.242 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.995 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 242 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 242 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 14), data: (568, 24) @ (24, 14) |-- (68, 62), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 14), data: (568, 24) @ (24, 14) |-- (68, 62), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 16), data: (584, 29) @ (29, 16) |-- (84, 77), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 14:20:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:20:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.219675375151652 -5.364842030000000 0.000000000000000 b 4.219675375151652 5.364842030000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): 1 Ba 0.26913258015678 0.18438096237358 0.97390297697961 137.327 2 Ba 0.18438096237358 0.26913258015678 0.47390297697961 137.327 3 Ba 0.81561903762642 0.73086741984322 0.52609702302039 137.327 4 Ba 0.73086741984322 0.81561903762642 0.02609702302039 137.327 5 Zn 0.74172987381555 0.25827012618445 0.75000000000000 65.380 6 Zn 0.25827012618445 0.74172987381555 0.25000000000000 65.380 7 Si 0.39583065236614 0.83279414521251 0.63710977488998 28.085 8 Si 0.16720585478749 0.60416934763386 0.86289022511002 28.085 9 Si 0.60416934763386 0.16720585478749 0.36289022511002 28.085 10 Si 0.83279414521251 0.39583065236614 0.13710977488998 28.085 11 O 0.32560583627477 0.61836956073212 0.04540994548490 15.999 12 O 0.95831808276565 0.64586565887538 0.23634497416454 15.999 13 O 0.23980945813531 0.97776697467991 0.63303948660453 15.999 14 O 0.02223302532009 0.76019054186469 0.86696051339547 15.999 15 O 0.33515613595969 0.66484386404031 0.75000000000000 15.999 16 O 0.04168191723435 0.35413434112462 0.76365502583546 15.999 17 O 0.66484386404031 0.33515613595969 0.25000000000000 15.999 18 O 0.64586565887538 0.95831808276565 0.73634497416454 15.999 19 O 0.61836956073212 0.32560583627477 0.54540994548490 15.999 20 O 0.76019054186469 0.02223302532009 0.36696051339547 15.999 21 O 0.67439416372523 0.38163043926788 0.95459005451510 15.999 22 O 0.97776697467991 0.23980945813531 0.13303948660452 15.999 23 O 0.35413434112462 0.04168191723435 0.26365502583546 15.999 24 O 0.38163043926788 0.67439416372523 0.45459005451510 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.878701500606610 0.000000000000000 0.000000000000000 b 0.000000000000000 10.729684060000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): 1 Ba 0.11337838563259 0.95762419110840 0.97390297697961 137.327 > 1 2 Ba 0.61337838563259 0.95762419110840 0.97390297697961 137.327 > 1 3 Ba 0.11337838563259 0.04237580889160 0.47390297697961 137.327 > 3 4 Ba 0.61337838563259 0.04237580889160 0.47390297697961 137.327 > 3 5 Ba 0.38662161436741 0.95762419110840 0.52609702302039 137.327 > 5 6 Ba 0.88662161436741 0.95762419110840 0.52609702302039 137.327 > 5 7 Ba 0.38662161436741 0.04237580889160 0.02609702302039 137.327 > 7 8 Ba 0.88662161436741 0.04237580889160 0.02609702302039 137.327 > 7 9 Ba 0.36337838563259 0.45762419110840 0.97390297697961 137.327 > 1 10 Ba 0.86337838563259 0.45762419110840 0.97390297697961 137.327 > 1 11 Ba 0.36337838563259 0.54237580889160 0.47390297697961 137.327 > 3 12 Ba 0.86337838563259 0.54237580889160 0.47390297697961 137.327 > 3 13 Ba 0.13662161436741 0.45762419110840 0.52609702302039 137.327 > 5 14 Ba 0.63662161436741 0.45762419110840 0.52609702302039 137.327 > 5 15 Ba 0.13662161436741 0.54237580889160 0.02609702302039 137.327 > 7 16 Ba 0.63662161436741 0.54237580889160 0.02609702302039 137.327 > 7 17 Zn 0.25000000000000 0.75827012618445 0.75000000000000 65.380 > 17 18 Zn 0.75000000000000 0.75827012618445 0.75000000000000 65.380 > 17 19 Zn 0.25000000000000 0.24172987381555 0.25000000000000 65.380 > 19 20 Zn 0.75000000000000 0.24172987381555 0.25000000000000 65.380 > 19 21 Zn 0.00000000000000 0.25827012618445 0.75000000000000 65.380 > 17 22 Zn 0.50000000000000 0.25827012618445 0.75000000000000 65.380 > 17 23 Zn 0.00000000000000 0.74172987381555 0.25000000000000 65.380 > 19 24 Zn 0.50000000000000 0.74172987381555 0.25000000000000 65.380 > 19 25 Si 0.30715619939466 0.21848174642319 0.63710977488998 28.085 > 25 26 Si 0.80715619939466 0.21848174642319 0.63710977488998 28.085 > 25 27 Si 0.19284380060534 0.21848174642319 0.86289022511002 28.085 > 27 28 Si 0.69284380060534 0.21848174642319 0.86289022511002 28.085 > 27 29 Si 0.19284380060534 0.78151825357681 0.36289022511002 28.085 > 29 30 Si 0.69284380060534 0.78151825357681 0.36289022511002 28.085 > 29 31 Si 0.30715619939466 0.78151825357681 0.13710977488998 28.085 > 31 32 Si 0.80715619939466 0.78151825357681 0.13710977488998 28.085 > 31 33 Si 0.05715619939466 0.71848174642319 0.63710977488998 28.085 > 25 34 Si 0.55715619939466 0.71848174642319 0.63710977488998 28.085 > 25 35 Si 0.44284380060534 0.71848174642319 0.86289022511002 28.085 > 27 36 Si 0.94284380060534 0.71848174642319 0.86289022511002 28.085 > 27 37 Si 0.44284380060534 0.28151825357681 0.36289022511002 28.085 > 29 38 Si 0.94284380060534 0.28151825357681 0.36289022511002 28.085 > 29 39 Si 0.05715619939466 0.28151825357681 0.13710977488998 28.085 > 31 40 Si 0.55715619939466 0.28151825357681 0.13710977488998 28.085 > 31 41 O 0.23599384925172 0.14638186222867 0.04540994548490 15.999 > 41 42 O 0.73599384925172 0.14638186222867 0.04540994548490 15.999 > 41 43 O 0.40104593541026 0.84377378805486 0.23634497416454 15.999 > 43 44 O 0.90104593541026 0.84377378805486 0.23634497416454 15.999 > 43 45 O 0.30439410820381 0.36897875827230 0.63303948660453 15.999 > 45 46 O 0.80439410820381 0.36897875827230 0.63303948660453 15.999 > 45 47 O 0.19560589179619 0.36897875827230 0.86696051339547 15.999 > 47 48 O 0.69560589179619 0.36897875827230 0.86696051339547 15.999 > 47 49 O 0.25000000000000 0.16484386404031 0.75000000000000 15.999 > 49 50 O 0.75000000000000 0.16484386404031 0.75000000000000 15.999 > 49 51 O 0.09895406458974 0.15622621194514 0.76365502583546 15.999 > 51 52 O 0.59895406458974 0.15622621194514 0.76365502583546 15.999 > 51 53 O 0.25000000000000 0.83515613595969 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.83515613595969 0.25000000000000 15.999 > 53 55 O 0.40104593541026 0.15622621194514 0.73634497416454 15.999 > 55 56 O 0.90104593541026 0.15622621194514 0.73634497416454 15.999 > 55 57 O 0.23599384925172 0.85361813777133 0.54540994548490 15.999 > 57 58 O 0.73599384925172 0.85361813777133 0.54540994548490 15.999 > 57 59 O 0.19560589179619 0.63102124172770 0.36696051339547 15.999 > 59 60 O 0.69560589179619 0.63102124172770 0.36696051339547 15.999 > 59 61 O 0.26400615074828 0.85361813777133 0.95459005451510 15.999 > 61 62 O 0.76400615074828 0.85361813777133 0.95459005451510 15.999 > 61 63 O 0.30439410820381 0.63102124172770 0.13303948660452 15.999 > 63 64 O 0.80439410820381 0.63102124172770 0.13303948660452 15.999 > 63 65 O 0.09895406458974 0.84377378805486 0.26365502583546 15.999 > 65 66 O 0.59895406458974 0.84377378805486 0.26365502583546 15.999 > 65 67 O 0.26400615074828 0.14638186222867 0.45459005451510 15.999 > 67 68 O 0.76400615074828 0.14638186222867 0.45459005451510 15.999 > 67 69 O 0.48599384925172 0.64638186222867 0.04540994548490 15.999 > 41 70 O 0.98599384925172 0.64638186222867 0.04540994548490 15.999 > 41 71 O 0.15104593541026 0.34377378805486 0.23634497416454 15.999 > 43 72 O 0.65104593541026 0.34377378805486 0.23634497416454 15.999 > 43 73 O 0.05439410820381 0.86897875827230 0.63303948660453 15.999 > 45 74 O 0.55439410820381 0.86897875827230 0.63303948660453 15.999 > 45 75 O 0.44560589179619 0.86897875827230 0.86696051339547 15.999 > 47 76 O 0.94560589179619 0.86897875827230 0.86696051339547 15.999 > 47 77 O 0.00000000000000 0.66484386404031 0.75000000000000 15.999 > 49 78 O 0.50000000000000 0.66484386404031 0.75000000000000 15.999 > 49 79 O 0.34895406458974 0.65622621194514 0.76365502583546 15.999 > 51 80 O 0.84895406458974 0.65622621194514 0.76365502583546 15.999 > 51 81 O 0.00000000000000 0.33515613595969 0.25000000000000 15.999 > 53 82 O 0.50000000000000 0.33515613595969 0.25000000000000 15.999 > 53 83 O 0.15104593541026 0.65622621194514 0.73634497416454 15.999 > 55 84 O 0.65104593541026 0.65622621194514 0.73634497416454 15.999 > 55 85 O 0.48599384925172 0.35361813777133 0.54540994548490 15.999 > 57 86 O 0.98599384925172 0.35361813777133 0.54540994548490 15.999 > 57 87 O 0.44560589179619 0.13102124172770 0.36696051339547 15.999 > 59 88 O 0.94560589179619 0.13102124172770 0.36696051339547 15.999 > 59 89 O 0.01400615074828 0.35361813777133 0.95459005451510 15.999 > 61 90 O 0.51400615074828 0.35361813777133 0.95459005451510 15.999 > 61 91 O 0.05439410820381 0.13102124172770 0.13303948660452 15.999 > 63 92 O 0.55439410820381 0.13102124172770 0.13303948660452 15.999 > 63 93 O 0.34895406458974 0.34377378805486 0.26365502583546 15.999 > 65 94 O 0.84895406458974 0.34377378805486 0.26365502583546 15.999 > 65 95 O 0.01400615074828 0.64638186222867 0.45459005451510 15.999 > 67 96 O 0.51400615074828 0.64638186222867 0.45459005451510 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2240386 0.0000000 -0.0484962 0.0000000 3.2000701 0.0000000 -0.0484969 0.0000000 3.1995551 -------------------------- Born effective charges -------------------------- 1 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 2 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 3 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 4 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 5 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 6 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 7 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 8 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 9 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 10 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 11 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 12 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 13 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 14 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 15 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 16 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 17 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 18 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 19 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 20 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 21 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 22 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 23 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 24 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:20:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:20:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.219675375151652 -5.364842030000000 0.000000000000000 b 4.219675375151652 5.364842030000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): 1 Ba 0.26913258015678 0.18438096237358 0.97390297697961 137.327 2 Ba 0.18438096237358 0.26913258015678 0.47390297697961 137.327 3 Ba 0.81561903762642 0.73086741984322 0.52609702302039 137.327 4 Ba 0.73086741984322 0.81561903762642 0.02609702302039 137.327 5 Zn 0.74172987381555 0.25827012618445 0.75000000000000 65.380 6 Zn 0.25827012618445 0.74172987381555 0.25000000000000 65.380 7 Si 0.39583065236614 0.83279414521251 0.63710977488998 28.085 8 Si 0.16720585478749 0.60416934763386 0.86289022511002 28.085 9 Si 0.60416934763386 0.16720585478749 0.36289022511002 28.085 10 Si 0.83279414521251 0.39583065236614 0.13710977488998 28.085 11 O 0.32560583627477 0.61836956073212 0.04540994548490 15.999 12 O 0.95831808276565 0.64586565887538 0.23634497416454 15.999 13 O 0.23980945813531 0.97776697467991 0.63303948660453 15.999 14 O 0.02223302532009 0.76019054186469 0.86696051339547 15.999 15 O 0.33515613595969 0.66484386404031 0.75000000000000 15.999 16 O 0.04168191723435 0.35413434112462 0.76365502583546 15.999 17 O 0.66484386404031 0.33515613595969 0.25000000000000 15.999 18 O 0.64586565887538 0.95831808276565 0.73634497416454 15.999 19 O 0.61836956073212 0.32560583627477 0.54540994548490 15.999 20 O 0.76019054186469 0.02223302532009 0.36696051339547 15.999 21 O 0.67439416372523 0.38163043926788 0.95459005451510 15.999 22 O 0.97776697467991 0.23980945813531 0.13303948660452 15.999 23 O 0.35413434112462 0.04168191723435 0.26365502583546 15.999 24 O 0.38163043926788 0.67439416372523 0.45459005451510 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.878701500606610 0.000000000000000 0.000000000000000 b 0.000000000000000 10.729684060000000 0.000000000000000 c -3.049970432985015 0.000000000000000 7.875208708360381 Atomic positions (fractional): 1 Ba 0.11337838563259 0.95762419110840 0.97390297697961 137.327 > 1 2 Ba 0.61337838563259 0.95762419110840 0.97390297697961 137.327 > 1 3 Ba 0.11337838563259 0.04237580889160 0.47390297697961 137.327 > 3 4 Ba 0.61337838563259 0.04237580889160 0.47390297697961 137.327 > 3 5 Ba 0.38662161436741 0.95762419110840 0.52609702302039 137.327 > 5 6 Ba 0.88662161436741 0.95762419110840 0.52609702302039 137.327 > 5 7 Ba 0.38662161436741 0.04237580889160 0.02609702302039 137.327 > 7 8 Ba 0.88662161436741 0.04237580889160 0.02609702302039 137.327 > 7 9 Ba 0.36337838563259 0.45762419110840 0.97390297697961 137.327 > 1 10 Ba 0.86337838563259 0.45762419110840 0.97390297697961 137.327 > 1 11 Ba 0.36337838563259 0.54237580889160 0.47390297697961 137.327 > 3 12 Ba 0.86337838563259 0.54237580889160 0.47390297697961 137.327 > 3 13 Ba 0.13662161436741 0.45762419110840 0.52609702302039 137.327 > 5 14 Ba 0.63662161436741 0.45762419110840 0.52609702302039 137.327 > 5 15 Ba 0.13662161436741 0.54237580889160 0.02609702302039 137.327 > 7 16 Ba 0.63662161436741 0.54237580889160 0.02609702302039 137.327 > 7 17 Zn 0.25000000000000 0.75827012618445 0.75000000000000 65.380 > 17 18 Zn 0.75000000000000 0.75827012618445 0.75000000000000 65.380 > 17 19 Zn 0.25000000000000 0.24172987381555 0.25000000000000 65.380 > 19 20 Zn 0.75000000000000 0.24172987381555 0.25000000000000 65.380 > 19 21 Zn 0.00000000000000 0.25827012618445 0.75000000000000 65.380 > 17 22 Zn 0.50000000000000 0.25827012618445 0.75000000000000 65.380 > 17 23 Zn 0.00000000000000 0.74172987381555 0.25000000000000 65.380 > 19 24 Zn 0.50000000000000 0.74172987381555 0.25000000000000 65.380 > 19 25 Si 0.30715619939466 0.21848174642319 0.63710977488998 28.085 > 25 26 Si 0.80715619939466 0.21848174642319 0.63710977488998 28.085 > 25 27 Si 0.19284380060534 0.21848174642319 0.86289022511002 28.085 > 27 28 Si 0.69284380060534 0.21848174642319 0.86289022511002 28.085 > 27 29 Si 0.19284380060534 0.78151825357681 0.36289022511002 28.085 > 29 30 Si 0.69284380060534 0.78151825357681 0.36289022511002 28.085 > 29 31 Si 0.30715619939466 0.78151825357681 0.13710977488998 28.085 > 31 32 Si 0.80715619939466 0.78151825357681 0.13710977488998 28.085 > 31 33 Si 0.05715619939466 0.71848174642319 0.63710977488998 28.085 > 25 34 Si 0.55715619939466 0.71848174642319 0.63710977488998 28.085 > 25 35 Si 0.44284380060534 0.71848174642319 0.86289022511002 28.085 > 27 36 Si 0.94284380060534 0.71848174642319 0.86289022511002 28.085 > 27 37 Si 0.44284380060534 0.28151825357681 0.36289022511002 28.085 > 29 38 Si 0.94284380060534 0.28151825357681 0.36289022511002 28.085 > 29 39 Si 0.05715619939466 0.28151825357681 0.13710977488998 28.085 > 31 40 Si 0.55715619939466 0.28151825357681 0.13710977488998 28.085 > 31 41 O 0.23599384925172 0.14638186222867 0.04540994548490 15.999 > 41 42 O 0.73599384925172 0.14638186222867 0.04540994548490 15.999 > 41 43 O 0.40104593541026 0.84377378805486 0.23634497416454 15.999 > 43 44 O 0.90104593541026 0.84377378805486 0.23634497416454 15.999 > 43 45 O 0.30439410820381 0.36897875827230 0.63303948660453 15.999 > 45 46 O 0.80439410820381 0.36897875827230 0.63303948660453 15.999 > 45 47 O 0.19560589179619 0.36897875827230 0.86696051339547 15.999 > 47 48 O 0.69560589179619 0.36897875827230 0.86696051339547 15.999 > 47 49 O 0.25000000000000 0.16484386404031 0.75000000000000 15.999 > 49 50 O 0.75000000000000 0.16484386404031 0.75000000000000 15.999 > 49 51 O 0.09895406458974 0.15622621194514 0.76365502583546 15.999 > 51 52 O 0.59895406458974 0.15622621194514 0.76365502583546 15.999 > 51 53 O 0.25000000000000 0.83515613595969 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.83515613595969 0.25000000000000 15.999 > 53 55 O 0.40104593541026 0.15622621194514 0.73634497416454 15.999 > 55 56 O 0.90104593541026 0.15622621194514 0.73634497416454 15.999 > 55 57 O 0.23599384925172 0.85361813777133 0.54540994548490 15.999 > 57 58 O 0.73599384925172 0.85361813777133 0.54540994548490 15.999 > 57 59 O 0.19560589179619 0.63102124172770 0.36696051339547 15.999 > 59 60 O 0.69560589179619 0.63102124172770 0.36696051339547 15.999 > 59 61 O 0.26400615074828 0.85361813777133 0.95459005451510 15.999 > 61 62 O 0.76400615074828 0.85361813777133 0.95459005451510 15.999 > 61 63 O 0.30439410820381 0.63102124172770 0.13303948660452 15.999 > 63 64 O 0.80439410820381 0.63102124172770 0.13303948660452 15.999 > 63 65 O 0.09895406458974 0.84377378805486 0.26365502583546 15.999 > 65 66 O 0.59895406458974 0.84377378805486 0.26365502583546 15.999 > 65 67 O 0.26400615074828 0.14638186222867 0.45459005451510 15.999 > 67 68 O 0.76400615074828 0.14638186222867 0.45459005451510 15.999 > 67 69 O 0.48599384925172 0.64638186222867 0.04540994548490 15.999 > 41 70 O 0.98599384925172 0.64638186222867 0.04540994548490 15.999 > 41 71 O 0.15104593541026 0.34377378805486 0.23634497416454 15.999 > 43 72 O 0.65104593541026 0.34377378805486 0.23634497416454 15.999 > 43 73 O 0.05439410820381 0.86897875827230 0.63303948660453 15.999 > 45 74 O 0.55439410820381 0.86897875827230 0.63303948660453 15.999 > 45 75 O 0.44560589179619 0.86897875827230 0.86696051339547 15.999 > 47 76 O 0.94560589179619 0.86897875827230 0.86696051339547 15.999 > 47 77 O 0.00000000000000 0.66484386404031 0.75000000000000 15.999 > 49 78 O 0.50000000000000 0.66484386404031 0.75000000000000 15.999 > 49 79 O 0.34895406458974 0.65622621194514 0.76365502583546 15.999 > 51 80 O 0.84895406458974 0.65622621194514 0.76365502583546 15.999 > 51 81 O 0.00000000000000 0.33515613595969 0.25000000000000 15.999 > 53 82 O 0.50000000000000 0.33515613595969 0.25000000000000 15.999 > 53 83 O 0.15104593541026 0.65622621194514 0.73634497416454 15.999 > 55 84 O 0.65104593541026 0.65622621194514 0.73634497416454 15.999 > 55 85 O 0.48599384925172 0.35361813777133 0.54540994548490 15.999 > 57 86 O 0.98599384925172 0.35361813777133 0.54540994548490 15.999 > 57 87 O 0.44560589179619 0.13102124172770 0.36696051339547 15.999 > 59 88 O 0.94560589179619 0.13102124172770 0.36696051339547 15.999 > 59 89 O 0.01400615074828 0.35361813777133 0.95459005451510 15.999 > 61 90 O 0.51400615074828 0.35361813777133 0.95459005451510 15.999 > 61 91 O 0.05439410820381 0.13102124172770 0.13303948660452 15.999 > 63 92 O 0.55439410820381 0.13102124172770 0.13303948660452 15.999 > 63 93 O 0.34895406458974 0.34377378805486 0.26365502583546 15.999 > 65 94 O 0.84895406458974 0.34377378805486 0.26365502583546 15.999 > 65 95 O 0.01400615074828 0.64638186222867 0.45459005451510 15.999 > 67 96 O 0.51400615074828 0.64638186222867 0.45459005451510 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2240386 0.0000000 -0.0484962 0.0000000 3.2000701 0.0000000 -0.0484969 0.0000000 3.1995551 -------------------------- Born effective charges -------------------------- 1 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 2 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 3 Ba 2.6589396 -0.0523698 -0.0761351 -0.0399922 2.7499329 0.0360286 -0.0705274 0.0279691 2.6065738 4 Ba 2.6589396 0.0523698 -0.0761351 0.0399922 2.7499329 -0.0360286 -0.0705274 -0.0279691 2.6065738 5 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 6 Zn 2.1980800 0.0000000 0.0001710 0.0000000 1.6106358 -0.0000000 0.0201495 -0.0000000 2.2641435 7 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 8 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 9 Si 2.9724347 -0.0743041 -0.1055257 -0.1639139 2.8620212 0.0529808 -0.1413163 0.0463686 2.8418736 10 Si 2.9724347 0.0743041 -0.1055257 0.1639139 2.8620212 -0.0529808 -0.1413163 -0.0463686 2.8418736 11 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 12 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 13 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 14 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 15 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 16 O -2.1444745 -0.1044363 -0.2466715 -0.0463629 -1.7395789 -0.0845945 -0.2089293 -0.0170413 -1.7612009 17 O -2.5549733 0.0000000 0.7709728 0.0000000 -1.3653899 -0.0000000 0.7542767 -0.0000000 -1.9570607 18 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 19 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 20 O -1.6590713 -0.0449380 0.0805871 0.0319745 -2.3086552 0.0631507 0.0819095 0.0980423 -1.6232842 21 O -1.6493819 -0.0154257 -0.0378267 0.0484227 -1.6863430 0.0257245 -0.0483497 0.1177056 -2.2175039 22 O -1.6590713 0.0449380 0.0805871 -0.0319745 -2.3086552 -0.0631507 0.0819095 -0.0980423 -1.6232842 23 O -2.1444745 0.1044363 -0.2466715 0.0463629 -1.7395789 0.0845945 -0.2089293 0.0170413 -1.7612009 24 O -1.6493819 0.0154257 -0.0378267 -0.0484227 -1.6863430 -0.0257245 -0.0483497 -0.1177056 -2.2175039 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 287, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 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 2.065 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 15.626 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.190 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 18.772 ( 0.000 0.000 0.000) 0.000 23.787 ( 0.000 0.000 0.000) 0.000 23.933 ( 0.000 0.000 0.000) 0.000 26.000 ( 0.000 0.000 0.000) 0.000 26.011 ( 0.000 0.000 0.000) 0.000 26.238 ( 0.000 0.000 0.000) 0.000 26.605 ( 0.000 0.000 0.000) 0.000 26.728 ( 0.000 0.000 0.000) 0.000 28.014 ( 0.000 0.000 0.000) 0.000 28.089 ( 0.000 0.000 0.000) 0.000 28.112 ( 0.000 0.000 0.000) 0.000 28.751 ( 0.000 0.000 0.000) 0.000 28.790 ( 0.000 0.000 0.000) 0.000 28.809 ( 0.000 0.000 0.000) 0.000 28.906 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 19.946 -13.479 9.881) 26.022 0.581 ( 19.600 -23.443 0.362) 30.559 0.990 ( 43.192 -24.533 5.706) 50.000 2.216 ( 12.938 1.173 -3.824) 13.542 2.274 ( 5.181 -2.344 -1.194) 5.810 2.312 ( 5.431 -0.354 0.869) 5.512 2.608 ( -1.881 0.149 -1.576) 2.459 2.659 ( 1.931 3.516 0.971) 4.127 2.796 ( -2.095 1.852 -1.508) 3.177 2.926 ( -3.687 -6.014 2.395) 7.449 2.998 ( 1.624 1.411 -1.561) 2.658 3.187 ( 2.220 1.458 4.589) 5.302 3.304 ( -0.565 -0.173 1.667) 1.769 3.607 ( -1.433 6.834 1.962) 7.253 3.680 ( 17.829 4.782 -12.040) 22.039 3.861 ( 0.579 0.204 1.163) 1.315 3.910 ( 1.594 -4.279 -0.671) 4.616 4.394 ( -0.448 -0.893 -2.638) 2.821 4.448 ( 1.575 0.147 0.022) 1.582 4.564 ( 3.832 -2.814 -1.522) 4.992 5.056 ( -5.787 1.745 -3.334) 6.903 5.204 ( -3.425 8.865 12.423) 15.641 5.222 ( -1.565 2.921 10.193) 10.719 5.340 ( 0.087 0.693 1.777) 1.909 5.442 ( -3.209 0.832 -4.444) 5.544 5.517 ( 4.155 3.884 -1.904) 5.998 5.792 ( 6.980 0.506 1.329) 7.123 5.884 ( -6.058 1.084 -4.225) 7.465 6.257 ( 11.989 8.552 6.981) 16.298 6.722 ( -0.574 -7.027 0.725) 7.087 6.783 ( -11.949 -13.698 7.646) 19.720 7.002 ( -10.817 -8.287 -2.344) 13.827 8.049 ( -5.522 0.009 0.743) 5.571 8.187 ( -6.936 9.884 16.058) 20.091 8.345 ( -1.751 1.241 11.665) 11.861 8.590 ( 3.127 0.497 -1.267) 3.411 8.756 ( 1.786 2.667 -12.452) 12.859 9.596 ( -17.154 0.992 9.467) 19.618 9.993 ( 9.453 1.321 -13.259) 16.337 10.466 ( 2.178 1.000 0.478) 2.444 11.917 ( 3.513 0.272 2.493) 4.317 12.590 ( 7.418 2.121 -8.963) 11.826 12.790 ( -5.800 0.674 1.114) 5.944 12.896 ( 2.265 9.992 -6.955) 12.383 13.125 ( 5.724 2.478 -1.434) 6.400 13.442 ( 7.512 12.111 -6.366) 15.609 13.570 ( 20.270 16.263 -6.360) 26.755 13.627 ( -2.246 -1.617 0.447) 2.803 13.678 ( -0.501 -1.179 0.262) 1.308 14.075 ( -2.095 -2.286 -2.830) 4.198 14.744 ( 3.042 3.750 5.551) 7.357 15.258 ( -1.812 0.408 4.232) 4.622 15.742 ( -0.082 0.147 1.080) 1.093 15.875 ( -2.741 -5.423 -4.982) 7.857 15.996 ( -0.514 -10.916 -12.934) 16.933 16.204 ( 1.686 -0.318 -0.264) 1.736 18.440 ( -1.909 -6.926 -4.541) 8.499 18.759 ( -2.649 -0.141 2.283) 3.500 23.818 ( 4.022 -0.243 -0.095) 4.031 24.128 ( 18.038 8.933 -26.756) 33.482 25.975 ( -1.280 1.475 -0.913) 2.156 25.997 ( -2.721 -0.680 -1.208) 3.054 26.598 ( -0.774 0.083 0.998) 1.266 26.726 ( 0.059 0.694 0.583) 0.908 26.882 ( 10.915 38.227 63.943) 75.294 27.919 ( -8.265 0.923 -10.344) 13.272 28.156 ( 12.595 11.069 -4.479) 17.355 28.289 ( 12.587 7.168 1.169) 14.532 28.764 ( -1.614 0.058 -0.824) 1.813 28.811 ( 0.303 -0.017 -0.457) 0.549 28.979 ( 6.809 -0.851 2.291) 7.234 29.918 ( -43.361 -61.511 -23.213) 78.757 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 18.225 -13.464 7.513) 23.872 1.115 ( 17.251 -19.993 1.226) 26.435 1.879 ( 33.197 -22.291 7.336) 40.654 2.207 ( -1.225 1.996 -3.638) 4.326 2.359 ( 4.211 0.257 -2.914) 5.127 2.507 ( -6.035 5.826 2.142) 8.657 2.582 ( 16.384 -1.490 1.760) 16.545 2.609 ( -1.271 3.340 -5.370) 6.450 2.760 ( 4.556 -0.037 -4.480) 6.389 2.974 ( 1.200 0.412 1.382) 1.876 3.069 ( 2.830 -6.573 1.474) 7.307 3.193 ( 1.234 1.253 -2.149) 2.776 3.321 ( -1.778 -2.493 2.934) 4.240 3.511 ( -0.303 7.227 3.817) 8.179 3.847 ( 14.273 3.957 -5.653) 15.854 3.894 ( 0.048 -1.776 4.656) 4.984 3.967 ( 4.401 -1.267 -3.272) 5.628 4.410 ( 2.853 -0.956 -3.168) 4.369 4.501 ( 4.236 -1.763 -0.971) 4.690 4.623 ( 5.872 3.928 0.629) 7.093 4.938 ( -7.129 -1.363 -2.734) 7.756 5.128 ( -2.555 6.100 10.855) 12.711 5.198 ( -5.444 -0.595 3.643) 6.578 5.310 ( -2.678 1.954 -4.241) 5.383 5.379 ( 2.563 0.276 -3.537) 4.376 5.532 ( 2.064 -0.041 -1.468) 2.533 5.773 ( -3.963 0.644 -3.497) 5.325 5.945 ( 11.744 -0.446 1.317) 11.826 6.310 ( 5.813 12.099 7.726) 15.488 6.766 ( -5.956 -7.300 -1.880) 9.607 6.841 ( -1.536 -3.676 6.031) 7.228 6.903 ( -8.151 -2.198 -0.191) 8.445 7.949 ( -9.138 -0.800 3.045) 9.665 8.042 ( -10.035 3.702 6.646) 12.593 8.356 ( -1.812 -1.875 1.679) 3.101 8.636 ( 2.413 2.421 -5.724) 6.667 8.674 ( 1.461 1.168 -0.940) 2.093 9.369 ( -19.156 -0.053 9.464) 21.366 10.005 ( 5.278 2.268 -12.519) 13.774 10.489 ( 2.394 1.642 -0.131) 2.906 12.006 ( 6.393 0.665 4.451) 7.818 12.614 ( -1.210 1.872 0.895) 2.402 12.703 ( -2.552 -0.430 -0.673) 2.674 12.788 ( 2.166 5.146 -8.179) 9.903 13.137 ( 1.999 2.176 -5.513) 6.254 13.366 ( -1.011 5.584 -0.731) 5.722 13.606 ( -2.566 -1.258 1.057) 3.047 13.649 ( 12.453 9.331 -0.920) 15.588 13.691 ( -0.941 -1.922 1.187) 2.447 14.055 ( -2.611 -3.618 -3.503) 5.672 14.796 ( 4.025 1.753 5.674) 7.174 15.227 ( -4.019 1.478 2.681) 5.052 15.736 ( 2.383 3.617 0.626) 4.377 15.906 ( 0.619 -4.838 -2.041) 5.287 16.029 ( -1.218 -6.015 -5.823) 8.460 16.240 ( 2.546 -0.573 -0.384) 2.638 18.473 ( 2.523 -2.273 -4.756) 5.843 18.728 ( -4.285 -0.405 3.893) 5.804 23.902 ( 6.396 -0.327 0.178) 6.407 24.137 ( 7.093 3.308 -10.787) 13.327 25.930 ( -1.969 1.181 -0.384) 2.328 25.940 ( -3.389 0.184 -2.455) 4.189 26.601 ( -0.178 -0.836 1.251) 1.515 26.718 ( -0.373 1.115 0.717) 1.377 26.990 ( 7.683 15.326 33.672) 37.785 27.719 ( -8.318 0.684 -12.787) 15.270 28.187 ( 6.620 4.603 -2.447) 8.426 28.377 ( 6.252 3.708 2.145) 7.579 28.747 ( -0.790 -0.720 -0.143) 1.079 28.814 ( 0.809 0.279 -0.668) 1.085 29.128 ( 10.377 0.210 2.705) 10.726 29.835 ( -24.372 -27.602 -11.361) 38.535 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 14.922 -12.276 5.085) 19.980 1.566 ( 13.967 -16.274 1.871) 21.527 2.086 ( -5.378 5.865 -3.478) 8.684 2.227 ( -9.331 9.682 -0.485) 13.455 2.461 ( 2.200 2.031 -2.491) 3.895 2.518 ( 9.758 -5.529 0.332) 11.220 2.565 ( 8.160 -6.886 3.305) 11.177 2.712 ( 0.255 -2.530 6.044) 6.557 2.896 ( 11.913 -2.246 -9.935) 15.674 2.999 ( 2.296 -0.959 0.991) 2.678 3.121 ( -0.194 1.798 2.557) 3.132 3.216 ( 0.897 -1.341 -2.323) 2.828 3.329 ( -1.982 -2.880 0.809) 3.589 3.494 ( 2.447 3.438 3.974) 5.796 3.893 ( -4.040 -0.730 2.215) 4.665 3.953 ( 8.581 1.640 -2.193) 9.008 4.045 ( 5.815 0.879 -1.590) 6.092 4.391 ( -2.378 1.675 -6.532) 7.150 4.581 ( 5.052 -0.894 1.028) 5.232 4.743 ( 9.901 1.819 4.046) 10.849 4.850 ( -0.147 0.118 -2.200) 2.208 5.096 ( -2.804 2.890 7.791) 8.770 5.142 ( -5.125 -1.444 1.840) 5.634 5.234 ( -3.903 -1.589 -4.433) 6.117 5.397 ( 1.135 2.092 -4.064) 4.710 5.541 ( 0.283 1.266 -0.392) 1.355 5.776 ( 6.763 -6.926 -5.144) 10.962 6.155 ( 12.589 -1.264 1.931) 12.799 6.241 ( -0.374 13.484 7.056) 15.223 6.672 ( -9.774 1.801 -0.827) 9.973 6.820 ( -4.350 -4.570 -2.223) 6.690 6.862 ( -4.655 0.294 4.326) 6.361 7.838 ( -8.379 2.030 5.104) 10.019 7.931 ( -6.307 -4.410 -0.098) 7.696 8.373 ( 0.284 -2.791 -0.252) 2.817 8.541 ( -3.477 3.536 -0.727) 5.012 8.767 ( 10.624 1.722 -4.024) 11.490 9.158 ( -16.284 -1.152 7.700) 18.050 9.973 ( 1.937 1.751 -7.494) 7.935 10.488 ( 0.672 1.781 -0.615) 2.000 12.140 ( 8.832 0.611 5.025) 10.180 12.493 ( -10.700 -0.167 -1.271) 10.776 12.707 ( 0.059 1.010 1.297) 1.645 12.799 ( 9.380 1.422 -4.925) 10.689 13.070 ( -3.704 1.560 -4.874) 6.317 13.286 ( -2.629 2.544 0.449) 3.685 13.596 ( -0.129 0.049 0.225) 0.264 13.688 ( -0.168 -0.907 -0.237) 0.952 13.720 ( 5.169 4.178 1.783) 6.881 14.046 ( -1.581 -2.850 -2.181) 3.922 14.887 ( 5.288 0.410 6.099) 8.082 15.135 ( -5.553 2.020 -1.966) 6.227 15.746 ( 1.764 1.524 1.748) 2.913 15.957 ( 1.699 -1.809 -0.789) 2.605 16.034 ( -1.637 -3.275 -3.180) 4.849 16.279 ( 1.809 -0.459 -0.224) 1.880 18.507 ( 2.966 -0.437 -3.935) 4.947 18.693 ( -3.713 -0.536 3.597) 5.197 24.004 ( 6.019 -0.285 0.879) 6.089 24.130 ( 1.484 1.284 -4.966) 5.339 25.877 ( -2.550 0.401 -1.270) 2.876 25.894 ( -1.166 0.454 -0.781) 1.475 26.625 ( 0.716 -1.236 1.177) 1.851 26.697 ( -0.951 1.235 0.174) 1.568 27.133 ( 6.818 7.068 23.465) 25.437 27.517 ( -7.594 -0.341 -15.079) 16.887 28.214 ( 3.124 1.629 -1.078) 3.684 28.415 ( 2.526 2.129 1.109) 3.484 28.750 ( -0.227 -0.719 0.281) 0.805 28.820 ( 0.769 0.283 -0.577) 1.002 29.296 ( 11.512 2.402 2.762) 12.079 29.718 ( -16.885 -14.287 -6.485) 23.049 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 0.000 -0.000) 0.000 1.912 ( -0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 -0.000 -0.000) 0.000 2.434 ( 0.000 -0.000 0.000) 0.000 2.609 ( 0.000 -0.000 -0.000) 0.000 2.619 ( 0.000 -0.000 0.000) 0.000 2.843 ( -0.000 -0.000 -0.000) 0.000 2.968 ( -0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 -0.000) 0.000 3.119 ( -0.000 0.000 -0.000) 0.000 3.190 ( 0.000 -0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 -0.000 -0.000) 0.000 3.862 ( 0.000 -0.000 0.000) 0.000 4.006 ( 0.000 -0.000 -0.000) 0.000 4.094 ( 0.000 -0.000 -0.000) 0.000 4.312 ( 0.000 -0.000 0.000) 0.000 4.660 ( -0.000 -0.000 0.000) 0.000 4.721 ( 0.000 -0.000 0.000) 0.000 5.008 ( -0.000 -0.000 -0.000) 0.000 5.076 ( 0.000 -0.000 -0.000) 0.000 5.098 ( 0.000 -0.000 0.000) 0.000 5.149 ( -0.000 -0.000 0.000) 0.000 5.358 ( 0.000 -0.000 0.000) 0.000 5.534 ( 0.000 -0.000 0.000) 0.000 6.002 ( 0.000 -0.000 -0.000) 0.000 6.045 ( -0.000 0.000 0.000) 0.000 6.333 ( 0.000 -0.000 0.000) 0.000 6.522 ( -0.000 -0.000 0.000) 0.000 6.810 ( -0.000 -0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 -0.000 0.000) 0.000 7.920 ( 0.000 -0.000 0.000) 0.000 8.411 ( 0.000 -0.000 -0.000) 0.000 8.474 ( 0.000 -0.000 0.000) 0.000 8.848 ( 0.000 -0.000 0.000) 0.000 9.043 ( 0.000 -0.000 0.000) 0.000 9.953 ( 0.000 -0.000 0.000) 0.000 10.477 ( 0.000 -0.000 -0.000) 0.000 12.281 ( 0.000 -0.000 0.000) 0.000 12.344 ( -0.000 -0.000 -0.000) 0.000 12.706 ( 0.000 -0.000 0.000) 0.000 12.889 ( 0.000 -0.000 -0.000) 0.000 12.979 ( 0.000 -0.000 0.000) 0.000 13.251 ( 0.000 -0.000 0.000) 0.000 13.597 ( 0.000 -0.000 -0.000) 0.000 13.689 ( 0.000 -0.000 0.000) 0.000 13.740 ( 0.000 -0.000 -0.000) 0.000 14.045 ( 0.000 -0.000 -0.000) 0.000 15.001 ( 0.000 -0.000 0.000) 0.000 15.015 ( 0.000 -0.000 -0.000) 0.000 15.758 ( 0.000 -0.000 0.000) 0.000 15.980 ( 0.000 -0.000 0.000) 0.000 16.029 ( -0.000 -0.000 -0.000) 0.000 16.295 ( 0.000 -0.000 0.000) 0.000 18.521 ( 0.000 -0.000 0.000) 0.000 18.678 ( 0.000 -0.000 0.000) 0.000 24.079 ( 0.000 -0.000 0.000) 0.000 24.095 ( -0.000 -0.000 -0.000) 0.000 25.851 ( 0.000 -0.000 0.000) 0.000 25.880 ( 0.000 -0.000 0.000) 0.000 26.654 ( 0.000 -0.000 0.000) 0.000 26.671 ( 0.000 -0.000 0.000) 0.000 27.260 ( 0.000 0.000 0.000) 0.000 27.369 ( 0.000 -0.000 -0.000) 0.000 28.225 ( 0.000 -0.000 0.000) 0.000 28.424 ( 0.000 -0.000 0.000) 0.000 28.754 ( 0.000 -0.000 -0.000) 0.000 28.822 ( 0.000 -0.000 0.000) 0.000 29.397 ( -0.000 -0.000 0.000) 0.000 29.636 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 27.525 0.000 0.016) 27.525 0.858 ( 22.016 0.000 12.564) 25.349 1.604 ( 43.272 0.000 7.307) 43.884 2.237 ( -0.799 -0.000 -1.833) 2.000 2.358 ( 6.691 0.000 -2.847) 7.271 2.562 ( 18.107 0.000 -0.058) 18.107 2.572 ( -2.492 -0.000 -0.739) 2.599 2.747 ( 4.552 0.000 -3.510) 5.748 2.760 ( -6.246 -0.000 -2.328) 6.666 2.852 ( 5.739 0.000 0.768) 5.790 3.030 ( 2.149 0.000 -2.123) 3.021 3.227 ( -0.340 -0.000 3.140) 3.159 3.271 ( -3.823 -0.000 1.602) 4.145 3.608 ( -2.590 -0.000 0.708) 2.685 3.852 ( 0.824 0.000 4.743) 4.814 3.924 ( 4.469 0.000 -2.490) 5.116 3.945 ( 13.360 0.000 -5.441) 14.426 4.407 ( 5.233 0.000 -0.919) 5.313 4.467 ( 3.480 0.000 -6.243) 7.147 4.670 ( 9.648 0.000 2.917) 10.080 4.916 ( -8.225 -0.000 -4.216) 9.243 5.161 ( -6.959 -0.000 1.387) 7.096 5.230 ( -9.834 -0.000 11.287) 14.970 5.351 ( -4.502 -0.000 -5.976) 7.482 5.399 ( 4.275 0.000 0.683) 4.329 5.563 ( -2.790 -0.000 1.472) 3.154 5.812 ( -3.614 -0.000 -0.871) 3.718 5.921 ( 10.226 0.000 1.762) 10.377 6.523 ( -0.306 -0.000 -3.703) 3.715 6.605 ( 13.916 0.000 6.003) 15.156 6.729 ( -3.772 -0.000 11.832) 12.418 6.878 ( -6.353 -0.000 -2.800) 6.943 7.936 ( -9.489 -0.000 1.872) 9.672 8.185 ( -19.266 -0.000 9.210) 21.354 8.257 ( -1.460 -0.000 2.811) 3.167 8.656 ( 7.250 0.000 -1.298) 7.365 8.687 ( -4.282 -0.000 -4.865) 6.482 9.371 ( -20.092 -0.000 10.238) 22.550 10.032 ( 5.954 0.000 -15.879) 16.959 10.509 ( 1.554 0.000 2.250) 2.734 12.016 ( 6.630 0.000 4.376) 7.944 12.666 ( -10.452 -0.000 -0.051) 10.452 12.676 ( 7.132 0.000 -2.145) 7.447 12.855 ( -3.362 -0.000 -8.853) 9.469 13.165 ( 0.154 0.000 -4.038) 4.041 13.427 ( -4.396 -0.000 -3.383) 5.547 13.590 ( -1.468 -0.000 3.267) 3.581 13.667 ( -0.148 -0.000 1.164) 1.174 13.896 ( 11.028 0.000 -15.348) 18.899 13.986 ( -4.199 -0.000 -4.556) 6.196 14.868 ( 4.730 0.000 3.217) 5.721 15.245 ( -4.748 -0.000 6.331) 7.914 15.749 ( 5.408 0.000 3.372) 6.373 15.834 ( 2.290 0.000 -12.618) 12.824 15.928 ( 0.878 0.000 3.715) 3.817 16.229 ( 1.902 0.000 -0.007) 1.902 18.432 ( 6.396 0.000 -4.704) 7.940 18.723 ( -4.530 -0.000 3.712) 5.857 23.898 ( 6.531 0.000 0.245) 6.536 24.196 ( 6.105 0.000 -18.365) 19.353 25.943 ( -3.490 -0.000 -0.397) 3.512 25.947 ( -2.148 -0.000 -2.881) 3.593 26.591 ( -0.602 -0.000 1.285) 1.419 26.732 ( -0.497 -0.000 0.819) 0.958 27.294 ( -11.828 -0.000 39.717) 41.441 27.728 ( -8.544 -0.000 -13.921) 16.334 28.289 ( -1.595 -0.000 6.270) 6.470 28.732 ( -1.138 -0.000 -1.193) 1.649 28.771 ( 1.120 0.000 0.730) 1.337 28.824 ( 2.292 0.000 -1.830) 2.933 28.877 ( 3.263 0.000 -12.765) 13.175 29.225 ( 13.851 0.000 0.500) 13.860 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 23.565 -5.950 2.536) 24.436 1.273 ( 19.689 -7.103 8.641) 22.644 2.196 ( -1.464 2.856 -1.466) 3.528 2.250 ( 29.504 -7.246 7.526) 31.299 2.420 ( 3.582 3.321 -3.115) 5.793 2.524 ( -0.538 2.168 1.801) 2.869 2.615 ( -1.996 6.570 -5.586) 8.852 2.684 ( -2.378 -0.726 5.325) 5.877 2.840 ( 11.620 -1.872 -12.743) 17.347 3.001 ( 2.238 -2.313 2.669) 4.181 3.059 ( 4.838 -3.461 -3.338) 6.821 3.204 ( -1.451 1.117 0.221) 1.845 3.246 ( -4.139 -2.995 2.288) 5.598 3.586 ( 0.734 2.421 2.962) 3.895 3.865 ( -3.564 -0.871 7.079) 7.973 3.973 ( 4.168 0.287 -2.603) 4.922 4.067 ( 5.894 0.592 -3.279) 6.771 4.430 ( -0.929 1.361 -10.359) 10.489 4.548 ( 9.898 -1.277 -0.292) 9.984 4.793 ( -1.529 1.522 -1.461) 2.606 4.864 ( 10.851 0.934 0.883) 10.927 5.059 ( -7.051 -3.409 0.198) 7.835 5.146 ( -8.078 0.905 9.350) 12.389 5.258 ( -2.481 1.611 -4.783) 5.624 5.453 ( 2.274 2.406 -0.165) 3.315 5.531 ( -0.817 -1.994 -0.881) 2.328 5.735 ( -3.757 2.169 1.343) 4.541 6.119 ( 13.369 -1.575 0.965) 13.496 6.497 ( -0.210 3.910 -0.145) 3.918 6.665 ( -2.819 2.545 4.253) 5.702 6.728 ( -11.175 0.012 -1.333) 11.254 6.873 ( 5.211 -3.473 6.194) 8.808 7.847 ( -3.076 -1.450 1.422) 3.686 7.898 ( -16.516 2.104 0.534) 16.658 8.284 ( -1.265 -3.726 1.838) 4.343 8.596 ( -4.684 1.195 -1.060) 4.949 8.788 ( 11.481 0.200 -2.340) 11.719 9.140 ( -18.604 -0.386 9.125) 20.725 9.997 ( 1.998 0.470 -14.308) 14.454 10.527 ( -0.933 1.085 3.982) 4.232 12.155 ( 8.705 0.527 5.088) 10.096 12.491 ( -11.756 0.076 -1.476) 11.849 12.745 ( -0.033 2.107 -2.442) 3.225 12.801 ( 5.741 -1.488 -3.014) 6.653 13.097 ( -4.361 0.726 -5.940) 7.405 13.326 ( -5.355 0.841 -2.927) 6.160 13.611 ( 1.943 0.499 1.908) 2.768 13.669 ( -0.925 -0.272 1.742) 1.991 13.850 ( -1.197 5.115 -4.565) 6.960 13.986 ( 3.425 -1.970 -3.318) 5.159 14.950 ( 7.632 3.832 2.796) 8.986 15.180 ( -7.084 1.106 3.365) 7.920 15.779 ( 1.271 1.322 -7.082) 7.315 15.875 ( 2.830 -4.145 1.988) 5.398 15.982 ( 1.855 -1.068 3.612) 4.198 16.258 ( 1.120 -0.886 0.086) 1.430 18.507 ( 6.926 0.298 -5.384) 8.778 18.676 ( -5.137 -0.735 4.566) 6.912 24.001 ( 6.227 -0.044 1.010) 6.309 24.162 ( 0.866 1.061 -8.202) 8.315 25.888 ( -2.583 0.555 -1.499) 3.037 25.899 ( -2.082 -0.149 -1.613) 2.637 26.602 ( 0.482 -0.592 1.740) 1.900 26.719 ( -1.342 0.547 0.622) 1.577 27.316 ( -2.304 6.498 24.593) 25.541 27.511 ( -8.950 -0.263 -16.230) 18.536 28.258 ( -3.969 1.509 5.090) 6.629 28.590 ( 5.297 14.833 -1.931) 15.868 28.720 ( -0.526 -0.961 -0.518) 1.211 28.840 ( 2.613 0.711 -3.083) 4.103 29.100 ( -5.198 -21.922 -3.822) 22.851 29.476 ( 13.749 -2.200 2.742) 14.191 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 16.209 -4.963 5.332) 17.771 1.686 ( 18.789 -7.865 3.573) 20.680 2.077 ( -4.119 7.995 -3.435) 9.627 2.259 ( -5.759 13.538 0.129) 14.713 2.481 ( -0.818 3.343 -3.496) 4.905 2.583 ( 5.537 -1.468 -3.789) 6.868 2.632 ( -3.765 0.830 3.340) 5.101 2.755 ( 11.781 -5.607 6.511) 14.582 2.908 ( 1.396 -3.764 -7.372) 8.395 3.028 ( 2.351 -0.942 -0.570) 2.597 3.128 ( -0.784 -0.110 1.111) 1.365 3.212 ( -0.863 -5.297 -3.387) 6.346 3.236 ( 0.007 -0.432 0.532) 0.685 3.602 ( 1.755 3.781 5.222) 6.681 3.855 ( -2.835 -0.133 5.313) 6.023 3.989 ( -2.479 -1.207 -1.199) 3.007 4.098 ( 0.964 0.356 -1.606) 1.907 4.311 ( -1.341 0.051 -11.339) 11.418 4.668 ( -5.445 -0.086 -3.426) 6.434 4.710 ( 6.373 -0.298 -0.588) 6.407 4.980 ( -8.198 -1.387 3.664) 9.086 5.079 ( -1.022 -0.421 4.247) 4.389 5.107 ( 9.027 1.244 3.915) 9.918 5.184 ( -1.485 1.984 -3.683) 4.438 5.378 ( -3.754 1.566 -2.060) 4.559 5.553 ( -0.326 0.704 0.304) 0.834 5.765 ( 3.903 -7.900 -1.166) 8.888 6.298 ( -1.854 4.933 5.485) 7.606 6.370 ( -2.119 7.027 1.243) 7.444 6.516 ( -8.782 -0.222 -1.567) 8.924 6.652 ( -3.661 -5.515 -0.559) 6.643 6.984 ( 8.510 5.326 3.268) 10.558 7.736 ( -3.313 -2.015 -2.467) 4.596 7.902 ( 5.724 -1.661 0.211) 5.964 8.331 ( 0.485 -4.117 1.475) 4.401 8.508 ( -4.498 1.218 -1.016) 4.769 8.874 ( -7.222 1.937 3.729) 8.356 9.017 ( 5.140 -1.973 -0.256) 5.512 9.939 ( -0.198 -0.899 -9.736) 9.779 10.504 ( -3.497 1.734 5.999) 7.157 12.292 ( -3.530 0.689 -1.704) 3.980 12.332 ( 2.291 -0.727 2.520) 3.483 12.706 ( -0.848 -0.122 -1.975) 2.153 12.909 ( 5.681 0.351 -1.533) 5.894 12.968 ( -6.739 0.390 -1.452) 6.905 13.239 ( -3.589 -0.820 -2.640) 4.531 13.627 ( 0.863 2.055 0.939) 2.419 13.685 ( 1.924 -0.400 -0.009) 1.965 13.746 ( -5.712 0.452 -1.918) 6.042 14.046 ( 3.466 -0.061 1.462) 3.762 15.037 ( 4.869 3.020 4.292) 7.159 15.058 ( -4.313 2.689 -2.890) 5.847 15.747 ( 0.067 -0.749 -7.142) 7.181 15.946 ( -0.138 -2.190 3.031) 3.742 16.048 ( 3.619 0.956 4.450) 5.815 16.277 ( -0.587 -1.283 0.406) 1.468 18.545 ( 1.829 2.030 -0.334) 2.753 18.661 ( 0.059 -1.546 -0.003) 1.547 24.080 ( 2.684 0.080 1.598) 3.125 24.103 ( -2.809 0.544 -2.939) 4.101 25.851 ( -0.285 0.120 -1.490) 1.522 25.876 ( -0.785 -0.360 0.152) 0.877 26.633 ( 1.026 -0.870 1.555) 2.056 26.690 ( -1.633 0.764 0.010) 1.803 27.256 ( -8.955 -0.140 -16.309) 18.607 27.406 ( 1.819 2.553 15.413) 15.728 28.218 ( -4.436 -0.498 4.385) 6.257 28.510 ( 1.661 7.456 -1.501) 7.784 28.727 ( -0.431 -1.356 0.153) 1.431 28.846 ( 2.177 1.064 -3.578) 4.321 29.187 ( -8.418 -14.272 -2.853) 16.813 29.718 ( 17.594 3.783 5.070) 18.697 ======================= Grid point 13 (9/114) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -5.294 11.141 -3.274) 12.762 1.968 ( -7.804 14.519 1.951) 16.598 1.974 ( 6.424 0.104 0.634) 6.456 2.047 ( 16.517 -4.542 1.537) 17.199 2.437 ( -0.881 0.352 0.193) 0.969 2.551 ( -4.697 1.251 1.631) 5.127 2.645 ( 2.360 -1.318 -5.951) 6.536 2.837 ( -3.389 3.446 0.654) 4.877 2.904 ( -6.936 -2.525 3.949) 8.371 3.014 ( -5.047 -1.379 -3.361) 6.219 3.143 ( 0.393 -0.069 -1.024) 1.099 3.206 ( -0.637 3.666 -0.977) 3.847 3.280 ( 3.333 -4.719 -2.450) 6.275 3.554 ( -3.425 6.637 1.435) 7.606 3.860 ( -7.443 -2.858 4.876) 9.346 3.904 ( -4.149 -2.242 0.428) 4.735 4.054 ( -2.243 1.785 -2.800) 4.007 4.346 ( 5.741 -2.572 -0.041) 6.291 4.546 ( -8.759 -3.770 -3.225) 10.067 4.746 ( -9.908 1.885 -4.232) 10.938 4.864 ( 3.463 0.957 1.802) 4.019 5.041 ( -2.327 -1.213 -2.417) 3.568 5.139 ( -0.248 -0.364 0.468) 0.643 5.303 ( 9.390 2.563 0.901) 9.775 5.350 ( -0.551 -1.845 4.790) 5.163 5.529 ( -1.056 0.717 0.606) 1.413 5.925 ( 1.669 -11.895 -4.290) 12.754 6.008 ( -14.817 10.736 7.216) 19.669 6.195 ( -14.482 1.827 -2.138) 14.753 6.610 ( 8.842 -3.169 -0.196) 9.395 6.704 ( 2.816 -5.894 -1.934) 6.813 7.057 ( 10.295 8.909 2.085) 13.773 7.791 ( 8.081 -2.159 -4.550) 9.522 8.011 ( 8.215 1.433 -1.634) 8.498 8.398 ( -1.504 -1.236 2.085) 2.853 8.445 ( 0.054 -3.236 -1.254) 3.471 8.722 ( -13.260 -1.758 5.692) 14.536 9.186 ( 16.077 1.116 -6.068) 17.220 9.914 ( -1.351 -3.089 -2.860) 4.421 10.469 ( -4.453 0.320 7.442) 8.678 12.129 ( -9.282 -0.414 -4.855) 10.483 12.493 ( 10.358 -0.184 2.047) 10.560 12.691 ( -1.496 -1.014 -0.271) 1.827 12.790 ( -7.480 1.872 -4.055) 8.711 13.026 ( 1.288 -2.017 6.669) 7.086 13.214 ( -1.258 -3.397 -2.937) 4.664 13.612 ( -2.266 0.107 -1.777) 2.882 13.649 ( -3.848 -0.479 -0.971) 3.997 13.723 ( 2.580 1.043 0.805) 2.897 14.101 ( 3.039 1.555 3.634) 4.986 14.913 ( -5.592 1.717 -5.419) 7.974 15.129 ( 6.200 2.216 3.429) 7.424 15.709 ( -1.463 -1.622 -7.571) 7.880 15.969 ( -0.714 -0.424 2.809) 2.929 16.110 ( 3.670 2.883 5.659) 7.335 16.272 ( -2.355 -0.972 0.821) 2.677 18.528 ( -2.205 1.347 4.360) 5.068 18.698 ( 4.659 -0.103 -4.282) 6.328 24.014 ( -5.815 0.541 -0.920) 5.912 24.111 ( -1.458 -0.392 2.896) 3.266 25.861 ( 1.800 -0.895 -1.168) 2.325 25.887 ( 1.043 -0.155 2.172) 2.415 26.650 ( -0.981 0.574 -0.099) 1.141 26.672 ( 0.590 -0.598 0.330) 0.903 27.014 ( -11.148 -3.308 -21.387) 24.344 27.532 ( 5.703 0.992 14.277) 15.406 28.183 ( -5.031 -1.243 4.010) 6.552 28.437 ( -1.437 3.715 -1.979) 4.448 28.736 ( -0.504 -1.142 0.314) 1.287 28.839 ( 1.410 1.130 -3.266) 3.732 29.169 ( -8.973 -7.689 -1.849) 11.960 29.969 ( 20.408 7.276 6.704) 22.680 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -12.578 17.430 -8.211) 23.009 1.590 ( -13.366 20.009 -0.235) 24.064 2.135 ( 4.858 -2.383 3.149) 6.260 2.316 ( 9.240 -2.710 2.678) 9.995 2.396 ( -5.087 2.509 0.096) 5.673 2.491 ( -11.023 12.818 1.180) 16.947 2.563 ( 1.923 -1.405 1.555) 2.844 2.657 ( -7.872 8.556 -4.873) 12.606 2.759 ( -11.834 0.480 3.865) 12.458 2.987 ( 1.179 0.170 -3.592) 3.785 3.067 ( -3.776 -0.880 0.960) 3.995 3.214 ( -0.639 -3.617 -2.340) 4.355 3.314 ( -1.306 -1.805 -2.365) 3.249 3.411 ( -6.579 1.281 -3.403) 7.516 3.769 ( -9.218 -2.013 6.509) 11.463 3.943 ( -2.657 2.295 -4.500) 5.708 3.973 ( -0.454 -1.159 4.183) 4.364 4.416 ( -2.580 -1.936 -1.677) 3.635 4.513 ( -0.235 -4.475 4.272) 6.192 4.547 ( -6.356 2.628 -3.439) 7.689 4.955 ( 5.066 -0.826 -1.305) 5.296 5.013 ( 0.115 -2.059 -6.439) 6.762 5.172 ( 1.435 -2.127 1.043) 2.770 5.324 ( -0.041 0.724 1.238) 1.435 5.395 ( -0.123 2.324 6.040) 6.473 5.541 ( 0.677 0.084 1.992) 2.106 5.815 ( -2.115 4.560 6.351) 8.099 5.948 ( -13.911 -0.537 -2.494) 14.143 6.041 ( -1.405 -10.294 -6.568) 12.291 6.741 ( 4.096 -4.084 -2.617) 6.349 6.845 ( 7.930 -4.928 -1.672) 9.485 7.083 ( 7.345 11.067 1.890) 13.416 7.929 ( 10.966 -1.418 -5.917) 12.541 8.071 ( 5.207 3.161 -2.598) 6.622 8.350 ( -4.431 -1.662 -1.056) 4.848 8.555 ( 2.205 -4.158 4.002) 6.178 8.613 ( -7.389 -3.618 3.056) 8.776 9.385 ( 18.133 1.371 -8.135) 19.922 9.929 ( -3.450 -4.155 4.426) 6.982 10.447 ( -5.002 -1.544 5.964) 7.936 11.991 ( -6.261 -0.627 -4.575) 7.780 12.602 ( -0.761 0.568 -0.857) 1.279 12.681 ( -3.172 -2.651 1.763) 4.494 12.704 ( 4.654 -0.113 -1.895) 5.027 13.078 ( -3.507 -2.579 7.726) 8.868 13.225 ( -3.226 -5.538 -2.343) 6.824 13.525 ( -7.565 -3.247 -2.523) 8.610 13.653 ( 3.919 2.303 0.161) 4.548 13.746 ( 2.702 2.084 -0.615) 3.467 14.139 ( 2.762 3.164 4.110) 5.877 14.798 ( -3.145 0.961 -6.179) 7.000 15.206 ( 3.825 0.560 2.329) 4.513 15.662 ( -2.341 -2.552 -6.314) 7.202 15.972 ( 0.060 1.270 2.024) 2.390 16.147 ( 1.794 3.870 6.176) 7.506 16.246 ( -2.246 0.112 1.544) 2.728 18.511 ( -1.672 0.997 4.831) 5.208 18.742 ( 5.025 0.813 -4.394) 6.725 23.914 ( -6.113 0.628 -0.052) 6.145 24.085 ( -5.825 -1.106 4.393) 7.379 25.897 ( 1.657 -1.516 -0.899) 2.419 25.939 ( 3.489 0.036 3.606) 5.018 26.624 ( -0.525 0.961 -0.668) 1.283 26.691 ( 0.292 -0.935 -0.561) 1.129 26.760 ( -12.870 -5.650 -23.293) 27.205 27.704 ( 7.667 -0.438 11.477) 13.809 28.141 ( -5.308 -0.769 3.811) 6.580 28.354 ( -4.342 0.996 -3.073) 5.412 28.743 ( -0.243 -0.793 0.139) 0.841 28.827 ( 0.799 0.929 -2.278) 2.586 29.094 ( -7.697 -2.604 -1.076) 8.197 30.230 ( 22.214 9.257 8.247) 25.439 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -14.591 18.680 -9.709) 25.614 1.109 ( -16.961 22.847 0.430) 28.458 1.859 ( -13.626 39.543 -0.650) 41.830 2.200 ( -6.559 0.003 5.064) 8.286 2.328 ( -2.347 1.123 0.762) 2.711 2.346 ( -11.439 4.343 -1.139) 12.289 2.545 ( 5.687 -4.384 -0.662) 7.211 2.629 ( -0.077 0.859 1.903) 2.089 2.738 ( 2.844 -3.349 0.645) 4.440 2.966 ( 1.022 0.687 -1.123) 1.667 3.063 ( -0.879 -0.948 -5.305) 5.461 3.188 ( -3.574 2.713 5.832) 7.359 3.272 ( -6.488 -0.963 -2.253) 6.935 3.377 ( 0.046 -11.262 -5.080) 12.354 3.664 ( -8.681 3.107 4.983) 10.481 3.860 ( -1.638 0.133 -0.722) 1.795 4.000 ( 0.846 2.319 0.715) 2.570 4.393 ( -1.420 -2.626 -0.761) 3.081 4.452 ( -1.704 1.513 -2.729) 3.555 4.589 ( 0.340 -0.779 5.785) 5.847 4.942 ( -3.428 -4.288 -5.605) 7.846 5.093 ( 7.563 -0.573 -0.802) 7.627 5.219 ( 0.396 -2.035 -0.538) 2.142 5.326 ( 0.450 -0.276 -0.066) 0.532 5.424 ( 2.062 -0.021 3.631) 4.176 5.530 ( -1.324 2.428 3.268) 4.282 5.760 ( -9.423 -1.293 -2.972) 9.964 5.864 ( 4.596 -0.639 4.357) 6.365 6.074 ( -4.255 -7.675 -4.612) 9.914 6.788 ( -0.019 -2.309 -6.118) 6.539 6.933 ( 3.016 5.197 -1.091) 6.107 7.152 ( 15.038 2.464 3.366) 15.606 8.053 ( 6.969 -1.479 -6.397) 9.575 8.079 ( 2.140 1.859 -3.108) 4.206 8.280 ( -9.397 -3.646 -0.083) 10.080 8.548 ( -3.902 -2.570 2.389) 5.248 8.689 ( 2.061 -3.504 2.825) 4.950 9.588 ( 16.265 0.418 -8.402) 18.311 9.937 ( -7.278 -3.437 8.807) 11.931 10.424 ( -3.772 -2.317 2.125) 4.911 11.908 ( -3.103 -0.549 -2.664) 4.127 12.541 ( -6.050 -1.255 3.588) 7.145 12.680 ( -2.945 -3.634 -1.596) 4.942 12.802 ( 6.292 -0.379 -2.184) 6.671 13.073 ( -5.679 -2.169 5.812) 8.410 13.205 ( -6.657 -6.029 -0.916) 9.028 13.468 ( -2.966 -2.836 -1.685) 4.436 13.688 ( 3.524 2.416 0.794) 4.346 13.744 ( 2.070 3.480 -1.599) 4.353 14.153 ( 1.824 3.877 2.829) 5.134 14.728 ( -1.267 0.495 -3.875) 4.107 15.248 ( 1.543 0.089 -0.421) 1.602 15.643 ( -1.805 -4.413 -2.502) 5.384 15.971 ( 1.713 2.446 0.763) 3.082 16.141 ( -1.582 2.183 4.769) 5.478 16.233 ( 0.786 2.679 3.087) 4.162 18.517 ( 0.692 0.744 3.696) 3.833 18.775 ( 3.559 1.116 -2.744) 4.631 23.829 ( -3.877 0.680 0.139) 3.939 24.017 ( -9.029 -1.444 5.475) 10.657 25.934 ( 1.163 -1.774 -0.198) 2.130 26.016 ( 4.288 0.810 3.861) 5.826 26.479 ( -14.237 -5.069 -23.734) 28.137 26.614 ( -0.089 0.271 -1.044) 1.082 26.703 ( -0.172 -1.073 -0.258) 1.117 27.892 ( 8.170 -1.205 8.333) 11.732 28.091 ( -4.499 0.314 4.006) 6.032 28.247 ( -6.509 -0.433 -5.049) 8.249 28.752 ( 0.193 -0.837 0.134) 0.870 28.819 ( 0.612 0.496 -1.019) 1.288 29.001 ( -5.124 0.815 -0.692) 5.234 30.510 ( 22.282 7.793 9.062) 25.286 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 20.800 -0.000) 20.800 0.652 ( 0.000 27.509 -0.000) 27.509 1.208 ( 0.000 50.023 -0.000) 50.023 2.087 ( 0.000 1.736 -0.000) 1.736 2.262 ( 0.000 0.651 -0.000) 0.651 2.309 ( 0.000 1.623 -0.000) 1.623 2.608 ( -0.000 -2.303 0.000) 2.303 2.636 ( 0.000 0.064 -0.000) 0.064 2.797 ( -0.000 -1.487 0.000) 1.487 3.004 ( 0.000 0.418 -0.000) 0.418 3.054 ( -0.000 -2.769 0.000) 2.769 3.057 ( 0.000 7.184 -0.000) 7.184 3.264 ( -0.000 -3.841 0.000) 3.841 3.509 ( -0.000 -12.107 0.000) 12.107 3.549 ( 0.000 4.920 -0.000) 4.920 3.854 ( -0.000 -0.289 0.000) 0.289 3.962 ( 0.000 4.716 -0.000) 4.716 4.412 ( 0.000 1.591 -0.000) 1.591 4.424 ( -0.000 -3.049 0.000) 3.049 4.608 ( 0.000 0.843 -0.000) 0.843 4.937 ( -0.000 -4.058 0.000) 4.058 5.180 ( -0.000 -1.196 0.000) 1.196 5.208 ( 0.000 1.181 -0.000) 1.181 5.333 ( 0.000 0.139 -0.000) 0.139 5.466 ( -0.000 -1.558 0.000) 1.558 5.499 ( 0.000 2.709 -0.000) 2.709 5.694 ( -0.000 -2.720 0.000) 2.720 5.964 ( -0.000 -2.722 0.000) 2.722 6.059 ( -0.000 -3.359 0.000) 3.359 6.748 ( 0.000 3.168 -0.000) 3.168 6.907 ( 0.000 2.266 -0.000) 2.266 7.394 ( -0.000 -5.826 0.000) 5.826 7.993 ( 0.000 4.664 -0.000) 4.664 8.089 ( 0.000 0.119 -0.000) 0.119 8.231 ( -0.000 -3.534 0.000) 3.534 8.555 ( -0.000 -1.778 0.000) 1.778 8.741 ( -0.000 -1.869 0.000) 1.869 9.706 ( -0.000 -0.020 0.000) 0.020 9.917 ( -0.000 -2.173 0.000) 2.173 10.428 ( -0.000 -2.096 0.000) 2.096 11.882 ( -0.000 -0.299 0.000) 0.299 12.501 ( -0.000 -0.161 0.000) 0.161 12.659 ( -0.000 -1.998 0.000) 1.998 12.845 ( -0.000 -0.119 0.000) 0.119 13.062 ( -0.000 -1.140 0.000) 1.140 13.198 ( -0.000 -3.999 0.000) 3.999 13.474 ( -0.000 -2.269 0.000) 2.269 13.699 ( 0.000 1.651 -0.000) 1.651 13.701 ( 0.000 4.889 -0.000) 4.889 14.133 ( 0.000 3.388 -0.000) 3.388 14.701 ( 0.000 0.611 -0.000) 0.611 15.255 ( -0.000 -0.140 0.000) 0.140 15.683 ( -0.000 -5.525 0.000) 5.525 15.961 ( 0.000 3.057 -0.000) 3.057 16.132 ( -0.000 -0.077 0.000) 0.077 16.225 ( 0.000 2.763 -0.000) 2.763 18.547 ( -0.000 -0.744 0.000) 0.744 18.784 ( 0.000 0.941 -0.000) 0.941 23.793 ( 0.000 0.532 -0.000) 0.532 23.942 ( 0.000 0.700 -0.000) 0.700 25.966 ( -0.000 -1.925 0.000) 1.925 26.074 ( 0.000 1.912 -0.000) 1.912 26.244 ( 0.000 0.364 -0.000) 0.364 26.608 ( 0.000 0.287 -0.000) 0.287 26.713 ( -0.000 -1.091 0.000) 1.091 28.011 ( -0.000 -0.434 0.000) 0.434 28.088 ( -0.000 -0.066 0.000) 0.066 28.135 ( -0.000 -0.134 0.000) 0.134 28.768 ( -0.000 -1.249 0.000) 1.249 28.819 ( 0.000 0.328 -0.000) 0.328 28.935 ( 0.000 2.125 -0.000) 2.125 30.736 ( -0.000 -0.615 0.000) 0.615 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 16.650 0.000 8.229) 18.573 1.585 ( 24.906 0.000 3.668) 25.174 2.184 ( -1.299 -0.000 -2.179) 2.537 2.468 ( -2.758 -0.000 3.425) 4.398 2.476 ( 2.402 0.000 -6.622) 7.044 2.606 ( 1.739 0.000 -5.370) 5.645 2.631 ( -5.454 -0.000 3.122) 6.284 2.696 ( 17.786 0.000 7.284) 19.220 2.851 ( 0.803 0.000 -9.926) 9.958 3.018 ( -0.140 -0.000 -1.276) 1.284 3.074 ( 4.288 0.000 -4.648) 6.324 3.178 ( -6.943 -0.000 4.471) 8.258 3.211 ( 3.954 0.000 -0.192) 3.959 3.641 ( 2.120 0.000 4.888) 5.328 3.858 ( -2.940 -0.000 7.620) 8.167 3.973 ( -3.202 -0.000 -2.058) 3.806 4.103 ( 1.818 0.000 -0.833) 2.000 4.313 ( -2.229 -0.000 -15.188) 15.351 4.658 ( -11.572 -0.000 -4.902) 12.568 4.713 ( 10.934 0.000 -1.215) 11.001 4.963 ( -5.535 -0.000 3.419) 6.506 5.068 ( -2.741 -0.000 4.979) 5.684 5.132 ( 10.676 0.000 6.100) 12.296 5.211 ( -2.071 -0.000 -4.650) 5.090 5.410 ( -6.753 -0.000 -3.423) 7.572 5.533 ( 3.205 0.000 0.455) 3.237 5.692 ( -4.983 -0.000 4.288) 6.574 6.316 ( 11.468 0.000 1.077) 11.519 6.505 ( -16.192 -0.000 -2.250) 16.347 6.505 ( 0.433 0.000 -4.027) 4.050 6.602 ( -11.451 -0.000 7.694) 13.796 7.041 ( 12.069 0.000 4.849) 13.007 7.709 ( -5.062 -0.000 -3.980) 6.439 7.868 ( 6.408 0.000 -0.981) 6.483 8.278 ( 1.054 0.000 3.078) 3.254 8.521 ( -5.454 -0.000 -1.298) 5.606 8.911 ( -18.365 -0.000 8.206) 20.115 8.979 ( 15.622 0.000 -3.196) 15.946 9.926 ( -0.636 -0.000 -13.013) 13.028 10.529 ( -4.388 -0.000 7.723) 8.882 12.300 ( -11.806 -0.000 -2.973) 12.175 12.324 ( 9.676 0.000 4.405) 10.632 12.702 ( -1.975 -0.000 -3.717) 4.209 12.901 ( 5.454 0.000 4.679) 7.186 12.989 ( -4.598 -0.000 -8.737) 9.873 13.226 ( -5.914 -0.000 -2.501) 6.421 13.665 ( -0.051 -0.000 0.355) 0.359 13.671 ( 3.304 0.000 1.525) 3.639 13.754 ( -8.024 -0.000 -3.794) 8.876 14.043 ( 4.032 0.000 1.744) 4.393 15.080 ( -8.872 -0.000 1.309) 8.968 15.107 ( 9.230 0.000 -0.808) 9.266 15.736 ( 0.285 0.000 -10.987) 10.991 15.911 ( 0.054 0.000 7.817) 7.817 16.060 ( 4.808 0.000 5.300) 7.155 16.257 ( -0.550 -0.000 0.121) 0.563 18.598 ( 8.600 0.000 -6.333) 10.681 18.615 ( -5.871 -0.000 5.765) 8.228 24.081 ( 3.125 0.000 1.874) 3.644 24.111 ( -3.395 -0.000 -3.911) 5.179 25.856 ( -0.720 -0.000 -3.072) 3.155 25.868 ( -0.845 -0.000 1.103) 1.389 26.623 ( 1.196 0.000 1.960) 2.296 26.699 ( -2.025 -0.000 0.133) 2.029 27.255 ( -11.036 -0.000 -19.473) 22.383 27.445 ( 0.042 0.000 17.452) 17.452 28.210 ( -6.792 -0.000 6.853) 9.648 28.677 ( -2.782 -0.000 -1.038) 2.970 28.784 ( -0.068 -0.000 0.285) 0.293 28.793 ( -1.471 -0.000 -4.994) 5.206 28.918 ( 4.530 0.000 -3.325) 5.619 29.764 ( 19.221 0.000 5.695) 20.047 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 12.001 -0.803 6.275) 13.566 1.966 ( 21.344 -1.151 4.146) 21.773 2.104 ( -1.824 7.534 -3.838) 8.650 2.315 ( -6.680 10.441 -1.668) 12.507 2.447 ( -3.489 -1.086 -5.120) 6.290 2.562 ( -6.267 -1.459 -0.898) 6.497 2.608 ( 2.963 0.153 -3.502) 4.590 2.803 ( -4.247 -3.858 -0.601) 5.769 2.881 ( 0.562 1.340 4.412) 4.645 2.995 ( -4.271 -0.546 -3.189) 5.358 3.056 ( -7.689 -3.794 -2.498) 8.931 3.206 ( 11.348 -0.314 1.148) 11.411 3.273 ( 1.748 -1.234 -1.630) 2.690 3.692 ( 1.408 2.998 5.451) 6.378 3.836 ( -10.823 1.100 1.215) 10.946 3.865 ( -2.215 -0.872 2.432) 3.403 4.116 ( 0.533 3.062 -0.354) 3.128 4.271 ( 5.184 -3.166 -8.558) 10.494 4.458 ( -13.360 -2.706 -1.755) 13.744 4.798 ( -2.861 2.257 -4.719) 5.963 4.855 ( -3.099 -1.678 -1.778) 3.948 5.047 ( -2.124 0.774 6.909) 7.269 5.144 ( -2.032 0.712 -2.939) 3.643 5.325 ( 2.417 0.255 3.191) 4.011 5.338 ( 5.969 0.180 1.084) 6.070 5.560 ( -0.232 1.336 0.275) 1.384 5.688 ( -1.463 -6.752 0.157) 6.910 6.226 ( -17.976 4.416 2.751) 18.714 6.240 ( -16.647 2.838 2.116) 17.019 6.544 ( 5.631 -1.822 1.321) 6.064 6.608 ( 6.939 -2.080 -4.903) 8.747 7.218 ( 10.864 4.116 4.223) 12.362 7.740 ( 9.500 -1.669 -4.241) 10.537 7.990 ( 8.522 -1.974 -3.584) 9.453 8.345 ( 4.371 -1.240 3.464) 5.713 8.422 ( -6.809 -0.242 -1.851) 7.061 8.695 ( -16.129 -0.572 6.388) 17.357 9.206 ( 17.812 0.456 -5.034) 18.515 9.851 ( -1.560 -1.679 -9.047) 9.332 10.489 ( -7.152 0.838 10.776) 12.960 12.119 ( -9.859 -0.308 -4.015) 10.650 12.490 ( 10.049 -0.024 2.274) 10.303 12.662 ( -3.125 -0.947 0.189) 3.271 12.862 ( -2.648 2.796 -10.818) 11.483 12.990 ( 0.846 -0.828 7.556) 7.648 13.144 ( -4.566 -2.111 -2.110) 5.455 13.596 ( -8.669 -0.471 -4.178) 9.635 13.671 ( 2.198 0.966 -1.253) 2.708 13.735 ( 1.860 -0.026 3.319) 3.805 14.116 ( 3.054 0.062 5.525) 6.313 14.943 ( -8.078 0.724 -2.399) 8.458 15.211 ( 8.201 3.108 -1.251) 8.859 15.678 ( -0.655 -0.812 -10.021) 10.075 15.949 ( -1.101 -0.846 6.586) 6.731 16.162 ( 5.025 1.409 5.852) 7.841 16.244 ( -2.134 -1.064 0.499) 2.436 18.560 ( -4.339 1.027 5.406) 7.008 18.691 ( 7.397 -0.377 -5.474) 9.210 24.025 ( -5.769 0.305 -1.162) 5.893 24.107 ( -1.300 -0.007 2.290) 2.633 25.844 ( 0.975 -0.436 -2.147) 2.398 25.883 ( 1.395 -0.103 2.469) 2.838 26.652 ( 0.785 -0.008 1.403) 1.608 26.668 ( -1.488 -0.119 -0.548) 1.590 26.968 ( -12.706 -0.882 -19.943) 23.663 27.555 ( 3.918 0.692 13.247) 13.831 28.157 ( -5.830 -0.719 6.208) 8.546 28.564 ( -4.563 5.600 -2.440) 7.624 28.729 ( 0.755 1.328 -0.463) 1.597 28.830 ( -0.864 -3.270 -2.482) 4.195 28.988 ( 0.637 -5.425 -2.607) 6.053 30.076 ( 19.673 2.198 6.254) 20.760 ======================= Grid point 21 (15/114) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -7.207 16.308 -6.992) 19.151 2.007 ( -9.946 13.301 -0.422) 16.614 2.097 ( 6.771 1.326 2.576) 7.365 2.269 ( 12.222 -1.195 1.994) 12.441 2.404 ( -1.587 -0.178 0.161) 1.605 2.496 ( -3.207 -5.117 -4.910) 7.783 2.597 ( -4.700 2.007 3.003) 5.928 2.746 ( -13.778 0.334 4.331) 14.447 2.847 ( -2.260 -5.570 6.850) 9.114 2.885 ( -2.990 1.330 -4.445) 5.520 3.043 ( 0.715 -5.595 -12.365) 13.590 3.202 ( -11.092 -5.460 -3.862) 12.952 3.348 ( 4.950 8.915 1.240) 10.272 3.556 ( -3.237 12.651 0.006) 13.058 3.755 ( -1.822 0.170 7.414) 7.636 3.913 ( 2.226 -3.128 1.929) 4.296 4.014 ( -7.007 4.260 -0.897) 8.250 4.327 ( -5.383 -4.055 -5.098) 8.450 4.409 ( 3.998 -5.664 3.743) 7.879 4.622 ( -6.587 3.247 -4.173) 8.447 4.879 ( -0.057 -4.197 -5.273) 6.740 5.045 ( 2.881 3.127 -1.408) 4.479 5.136 ( 0.571 -0.938 2.355) 2.598 5.311 ( -3.674 -1.031 4.987) 6.280 5.463 ( 4.029 2.469 2.517) 5.354 5.540 ( 1.459 0.338 1.515) 2.130 5.772 ( -0.249 -10.078 -4.711) 11.128 5.959 ( -10.776 5.841 5.707) 13.520 5.984 ( -13.357 1.708 -1.324) 13.531 6.637 ( 2.810 -4.026 -1.229) 5.061 6.737 ( 7.954 -3.485 -2.229) 8.965 7.310 ( 7.855 7.730 2.921) 11.401 7.903 ( 11.586 -0.888 -4.240) 12.369 8.089 ( 4.293 -2.045 -4.142) 6.306 8.301 ( -9.272 -1.994 -1.152) 9.554 8.474 ( 6.496 -1.940 3.329) 7.553 8.543 ( -9.576 -2.018 3.713) 10.467 9.427 ( 18.427 1.952 -7.058) 19.829 9.826 ( -1.778 -4.169 -3.297) 5.605 10.430 ( -8.577 -0.001 11.274) 14.165 11.977 ( -6.619 -0.527 -4.086) 7.796 12.606 ( -3.270 -0.134 2.237) 3.964 12.655 ( 6.888 -0.776 -1.408) 7.073 12.743 ( 0.874 3.656 -8.456) 9.253 13.028 ( -4.028 -1.589 8.982) 9.971 13.112 ( -3.733 -4.130 -2.168) 5.974 13.467 ( -7.236 -1.717 -2.808) 7.950 13.696 ( 3.575 1.222 -0.752) 3.852 13.772 ( 1.289 0.133 1.813) 2.228 14.190 ( 2.945 1.170 6.068) 6.845 14.813 ( -5.314 0.313 -4.727) 7.119 15.267 ( 5.461 3.879 0.130) 6.699 15.619 ( -1.623 -1.090 -8.345) 8.571 15.976 ( -0.464 -0.651 3.905) 3.986 16.197 ( -2.255 0.441 1.764) 2.897 16.263 ( 3.122 1.330 4.902) 5.962 18.527 ( -2.916 0.449 4.776) 5.614 18.761 ( 6.160 0.702 -4.482) 7.650 23.928 ( -5.885 0.555 0.013) 5.911 24.074 ( -4.632 -0.049 2.338) 5.189 25.865 ( 1.657 -1.088 -1.294) 2.367 25.939 ( 3.358 -0.097 3.990) 5.216 26.628 ( -3.074 -1.023 -5.167) 6.099 26.677 ( -1.307 -0.305 -2.671) 2.989 26.689 ( -9.075 -0.651 -11.357) 14.552 27.699 ( 6.721 -0.047 10.452) 12.427 28.122 ( -4.447 -0.808 4.523) 6.394 28.415 ( -6.011 3.744 -2.982) 7.684 28.730 ( 0.387 -0.043 -0.177) 0.428 28.831 ( -0.293 -1.004 -2.247) 2.479 29.018 ( -1.622 -3.224 -1.481) 3.901 30.361 ( 17.930 3.017 6.061) 19.166 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -12.516 19.630 -8.973) 24.950 1.629 ( -10.695 20.769 -0.039) 23.361 2.192 ( 1.204 0.217 2.243) 2.555 2.314 ( -9.589 1.923 2.250) 10.036 2.362 ( -8.077 1.302 5.162) 9.674 2.435 ( 2.323 -4.597 -1.270) 5.305 2.644 ( 6.168 -3.407 1.428) 7.190 2.655 ( -0.574 1.926 0.005) 2.010 2.746 ( -1.910 15.736 -3.890) 16.321 2.948 ( -0.642 -5.918 3.649) 6.982 2.999 ( -5.084 -2.650 -4.462) 7.265 3.105 ( -6.321 -7.271 -6.065) 11.385 3.191 ( -0.892 7.882 -0.029) 7.932 3.447 ( 0.718 10.986 0.597) 11.026 3.761 ( -0.902 4.098 3.993) 5.792 3.869 ( -4.914 0.729 -0.383) 4.982 3.995 ( 1.713 -3.088 0.972) 3.662 4.294 ( -2.264 -4.577 -3.813) 6.373 4.502 ( -1.811 2.193 -3.560) 4.557 4.543 ( 1.583 -3.093 6.108) 7.027 4.875 ( -1.607 -2.449 -4.263) 5.172 5.080 ( 5.370 -0.803 -2.216) 5.864 5.169 ( 0.058 -0.912 1.829) 2.045 5.302 ( -2.862 -1.580 3.857) 5.056 5.456 ( 0.171 2.211 1.965) 2.963 5.581 ( 0.991 1.396 2.635) 3.142 5.750 ( -7.477 0.030 -4.691) 8.827 5.872 ( -0.723 1.640 5.706) 5.981 5.894 ( -0.463 -7.599 -3.953) 8.578 6.701 ( 0.655 -4.241 -2.802) 5.125 6.897 ( 6.841 -5.646 -0.805) 8.906 7.309 ( 4.795 9.468 1.849) 10.773 8.024 ( 6.132 -0.945 -3.446) 7.097 8.116 ( 0.200 0.053 -1.502) 1.516 8.194 ( -8.404 -3.821 -1.137) 9.301 8.491 ( -2.629 -2.140 1.449) 3.687 8.603 ( 3.707 -2.953 2.182) 5.218 9.618 ( 15.924 2.048 -7.863) 17.877 9.841 ( -4.001 -4.495 3.127) 6.781 10.372 ( -6.974 -1.850 6.648) 9.811 11.893 ( -3.073 -0.665 -2.579) 4.066 12.537 ( -4.528 0.578 1.074) 4.689 12.672 ( 1.629 2.246 -4.111) 4.960 12.794 ( 7.417 -0.391 -3.195) 8.085 13.019 ( -6.011 -2.255 7.770) 10.080 13.090 ( -4.235 -4.148 -1.112) 6.031 13.401 ( -3.207 -2.625 -1.664) 4.466 13.731 ( 2.285 1.243 1.490) 2.998 13.793 ( 1.795 0.344 -1.218) 2.196 14.234 ( 1.961 2.786 3.841) 5.134 14.733 ( -2.176 -0.291 -3.805) 4.393 15.288 ( 2.423 3.269 1.055) 4.204 15.569 ( -1.589 -1.788 -5.058) 5.595 15.997 ( 0.632 -0.077 1.441) 1.575 16.158 ( -3.142 0.050 1.197) 3.362 16.309 ( 2.595 3.128 3.968) 5.680 18.518 ( -1.115 -0.220 2.980) 3.189 18.804 ( 3.853 1.249 -2.589) 4.807 23.848 ( -3.704 0.807 0.211) 3.797 24.010 ( -5.044 0.277 1.900) 5.397 25.897 ( 1.187 -1.405 -0.554) 1.921 26.028 ( 4.870 0.133 5.411) 7.281 26.412 ( -11.377 -1.914 -16.248) 19.927 26.624 ( -0.335 0.526 -0.240) 0.668 26.687 ( 0.050 -0.181 0.065) 0.198 27.867 ( 7.640 -0.927 7.490) 10.739 28.095 ( -2.736 -0.197 2.780) 3.905 28.266 ( -6.799 2.047 -3.838) 8.071 28.736 ( 0.176 -0.392 -0.117) 0.446 28.824 ( -0.088 -0.192 -1.404) 1.420 29.006 ( -1.873 -0.462 -0.464) 1.984 30.597 ( 12.801 1.504 4.650) 13.702 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 21.016 -0.000) 21.016 1.268 ( 0.000 24.940 -0.000) 24.940 2.137 ( 0.000 2.352 -0.000) 2.352 2.172 ( 0.000 17.103 -0.000) 17.103 2.337 ( 0.000 0.964 -0.000) 0.964 2.402 ( 0.000 24.136 -0.000) 24.136 2.513 ( -0.000 -5.803 0.000) 5.803 2.652 ( 0.000 0.961 -0.000) 0.961 2.746 ( -0.000 -2.764 0.000) 2.764 2.970 ( -0.000 -4.124 0.000) 4.124 2.999 ( 0.000 0.272 -0.000) 0.272 3.126 ( -0.000 -7.862 0.000) 7.862 3.224 ( -0.000 -9.920 0.000) 9.920 3.300 ( 0.000 12.050 -0.000) 12.050 3.688 ( 0.000 6.286 -0.000) 6.286 3.846 ( -0.000 -0.395 0.000) 0.395 4.026 ( 0.000 0.324 -0.000) 0.324 4.326 ( -0.000 -5.189 0.000) 5.189 4.453 ( 0.000 1.957 -0.000) 1.957 4.602 ( -0.000 -1.561 0.000) 1.561 4.870 ( -0.000 -1.827 0.000) 1.827 5.166 ( 0.000 0.127 -0.000) 0.127 5.168 ( -0.000 -3.879 0.000) 3.879 5.311 ( -0.000 -1.850 0.000) 1.850 5.452 ( 0.000 0.587 -0.000) 0.587 5.572 ( 0.000 2.789 -0.000) 2.789 5.660 ( 0.000 0.392 -0.000) 0.392 5.905 ( -0.000 -1.759 0.000) 1.759 5.953 ( -0.000 -5.834 0.000) 5.834 6.734 ( -0.000 -3.111 0.000) 3.111 6.993 ( -0.000 -0.151 0.000) 0.151 7.294 ( 0.000 1.527 -0.000) 1.527 8.062 ( 0.000 0.285 -0.000) 0.285 8.107 ( -0.000 -0.460 0.000) 0.460 8.149 ( -0.000 -1.522 0.000) 1.522 8.505 ( -0.000 -2.244 0.000) 2.244 8.674 ( -0.000 -3.391 0.000) 3.391 9.722 ( 0.000 1.610 -0.000) 1.610 9.844 ( -0.000 -3.924 0.000) 3.924 10.365 ( -0.000 -2.952 0.000) 2.952 11.871 ( -0.000 -0.629 0.000) 0.629 12.498 ( 0.000 0.281 -0.000) 0.281 12.649 ( 0.000 1.364 -0.000) 1.364 12.844 ( 0.000 0.100 -0.000) 0.100 13.020 ( -0.000 -2.387 0.000) 2.387 13.096 ( -0.000 -4.236 0.000) 4.236 13.408 ( -0.000 -3.078 0.000) 3.078 13.738 ( 0.000 1.484 -0.000) 1.484 13.794 ( 0.000 2.072 -0.000) 2.072 14.221 ( 0.000 3.745 -0.000) 3.745 14.710 ( -0.000 -0.138 0.000) 0.138 15.274 ( 0.000 2.296 -0.000) 2.296 15.572 ( -0.000 -3.515 0.000) 3.515 16.006 ( 0.000 0.734 -0.000) 0.734 16.132 ( 0.000 0.128 -0.000) 0.128 16.303 ( 0.000 3.543 -0.000) 3.543 18.528 ( -0.000 -0.824 0.000) 0.824 18.812 ( 0.000 1.336 -0.000) 1.336 23.810 ( 0.000 0.872 -0.000) 0.872 23.963 ( 0.000 0.973 -0.000) 0.973 25.923 ( -0.000 -1.688 0.000) 1.688 26.111 ( 0.000 1.111 -0.000) 1.111 26.244 ( -0.000 -0.526 0.000) 0.526 26.616 ( 0.000 0.384 -0.000) 0.384 26.691 ( -0.000 -0.545 0.000) 0.545 27.988 ( -0.000 -1.490 0.000) 1.490 28.087 ( -0.000 -0.105 0.000) 0.105 28.152 ( 0.000 1.752 -0.000) 1.752 28.744 ( -0.000 -0.734 0.000) 0.734 28.821 ( -0.000 -0.122 0.000) 0.122 28.981 ( 0.000 1.365 -0.000) 1.365 30.719 ( -0.000 -0.759 0.000) 0.759 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 5.359 0.000 4.216) 6.819 2.146 ( 2.728 0.000 -2.396) 3.631 2.213 ( -5.432 -0.000 -12.075) 13.240 2.292 ( -7.359 -0.000 0.076) 7.359 2.310 ( 12.000 0.000 -0.115) 12.001 2.425 ( -7.236 -0.000 0.495) 7.253 2.631 ( -3.521 -0.000 2.176) 4.139 2.738 ( -3.887 -0.000 7.995) 8.889 2.757 ( -16.042 -0.000 4.632) 16.697 2.925 ( -1.502 -0.000 -3.857) 4.139 2.950 ( 0.785 0.000 -11.464) 11.491 3.115 ( -15.910 -0.000 -4.676) 16.583 3.429 ( 13.559 0.000 2.473) 13.782 3.745 ( -2.062 -0.000 2.233) 3.039 3.782 ( 3.229 0.000 3.882) 5.049 3.858 ( -0.684 -0.000 0.989) 1.202 4.180 ( -0.901 -0.000 5.529) 5.602 4.222 ( -8.784 -0.000 1.841) 8.975 4.287 ( 2.693 0.000 -8.303) 8.729 4.671 ( -7.871 -0.000 -4.104) 8.876 4.813 ( 0.899 0.000 -5.761) 5.830 5.104 ( -0.390 -0.000 -5.184) 5.199 5.118 ( 2.835 0.000 6.686) 7.262 5.297 ( -3.898 -0.000 4.263) 5.776 5.491 ( 7.238 0.000 2.920) 7.805 5.588 ( -4.470 -0.000 0.416) 4.489 5.591 ( 2.530 0.000 -1.994) 3.222 5.995 ( -13.223 -0.000 -3.784) 13.754 6.053 ( -14.794 -0.000 8.223) 16.926 6.586 ( 2.793 0.000 -1.044) 2.982 6.696 ( 7.740 0.000 -3.655) 8.559 7.408 ( 7.670 0.000 4.053) 8.675 7.891 ( 12.888 0.000 -3.506) 13.356 8.043 ( 3.731 0.000 -4.543) 5.879 8.277 ( -11.123 -0.000 -0.776) 11.150 8.458 ( 7.834 0.000 2.816) 8.324 8.520 ( -9.518 -0.000 3.350) 10.091 9.455 ( 19.277 0.000 -6.490) 20.340 9.769 ( -1.707 -0.000 -6.267) 6.495 10.433 ( -10.207 -0.000 12.949) 16.488 11.970 ( -6.764 -0.000 -3.716) 7.718 12.606 ( -4.272 -0.000 1.539) 4.540 12.642 ( 9.813 0.000 -0.445) 9.823 12.806 ( 0.923 0.000 -11.925) 11.960 13.009 ( -4.328 -0.000 9.607) 10.537 13.053 ( -3.859 -0.000 -1.387) 4.101 13.447 ( -7.495 -0.000 -2.806) 8.003 13.710 ( 3.873 0.000 -3.379) 5.140 13.768 ( -0.655 -0.000 5.072) 5.115 14.202 ( 3.225 0.000 7.154) 7.848 14.817 ( -6.510 -0.000 -3.744) 7.510 15.324 ( 6.121 0.000 -3.425) 7.015 15.608 ( -0.948 -0.000 -7.862) 7.919 15.963 ( -1.196 -0.000 5.620) 5.746 16.197 ( -3.056 -0.000 0.214) 3.063 16.282 ( 4.812 0.000 5.689) 7.452 18.532 ( -3.570 -0.000 4.635) 5.850 18.770 ( 6.630 0.000 -4.377) 7.945 23.935 ( -5.807 -0.000 0.018) 5.807 24.075 ( -4.277 -0.000 1.905) 4.682 25.852 ( 1.687 0.000 -1.356) 2.164 25.937 ( 3.272 0.000 4.010) 5.176 26.609 ( -6.240 -0.000 -10.711) 12.396 26.676 ( 0.808 0.000 1.171) 1.423 26.687 ( -8.014 -0.000 -8.113) 11.404 27.699 ( 6.206 0.000 9.879) 11.667 28.111 ( -4.297 -0.000 5.210) 6.754 28.475 ( -8.316 -0.000 -3.376) 8.975 28.739 ( -0.281 -0.000 -0.797) 0.845 28.796 ( 0.657 0.000 0.410) 0.775 28.978 ( 2.210 0.000 -3.445) 4.093 30.394 ( 16.485 0.000 5.386) 17.342 ======================= Grid point 29 (19/114) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -11.783 16.423 -10.095) 22.593 2.004 ( -5.812 7.937 -0.239) 9.840 2.204 ( 2.610 -0.431 -1.106) 2.867 2.236 ( -2.774 -5.677 0.510) 6.339 2.354 ( -2.961 -0.619 1.296) 3.291 2.407 ( -16.737 1.228 5.369) 17.620 2.554 ( 8.402 -2.911 2.452) 9.224 2.703 ( 1.579 2.082 -1.887) 3.223 2.769 ( -3.105 -5.294 7.752) 9.887 2.868 ( -4.472 -2.142 0.975) 5.054 2.897 ( -7.565 -4.104 -3.302) 9.218 2.929 ( 0.237 -2.683 -12.297) 12.588 3.556 ( 6.079 9.849 1.093) 11.625 3.744 ( 5.850 6.772 -1.585) 9.088 3.808 ( 2.081 1.280 4.263) 4.913 3.886 ( -0.991 -4.250 0.694) 4.419 3.976 ( -8.734 12.662 2.820) 15.638 4.214 ( -2.187 -2.897 -2.234) 4.262 4.396 ( 3.487 -8.887 0.505) 9.560 4.559 ( -3.523 1.505 -2.212) 4.423 4.818 ( 0.938 -1.877 -3.194) 3.821 5.072 ( 0.925 0.145 -4.885) 4.974 5.176 ( 1.324 0.779 3.165) 3.518 5.269 ( -4.110 -1.034 5.548) 6.982 5.508 ( -1.688 2.163 -0.000) 2.744 5.587 ( 2.315 -0.871 0.974) 2.659 5.666 ( 2.345 -5.443 -2.563) 6.457 5.820 ( -6.664 0.688 -2.819) 7.268 5.925 ( -5.973 1.864 6.158) 8.779 6.621 ( 1.144 -2.037 -1.206) 2.629 6.790 ( 5.302 -2.611 -1.987) 6.235 7.487 ( 4.024 4.489 2.342) 6.467 8.014 ( 4.239 0.339 -1.335) 4.457 8.075 ( 1.695 -3.328 -2.650) 4.580 8.121 ( -8.302 -1.113 -1.052) 8.442 8.455 ( -2.131 -0.789 1.020) 2.490 8.570 ( 4.695 -0.329 1.522) 4.946 9.671 ( 14.704 2.213 -6.876) 16.383 9.746 ( 0.020 -3.251 -1.950) 3.791 10.345 ( -10.230 -0.507 10.212) 14.463 11.881 ( -3.168 -0.309 -2.339) 3.950 12.552 ( -3.224 0.452 0.409) 3.281 12.745 ( 2.855 2.925 -5.758) 7.061 12.782 ( 7.542 -0.656 -3.823) 8.481 12.980 ( -7.025 -0.941 8.990) 11.448 13.015 ( -2.396 -2.001 -1.299) 3.381 13.356 ( -3.684 -1.063 -1.534) 4.129 13.745 ( 2.628 -0.027 -1.185) 2.883 13.779 ( -1.169 -0.685 2.549) 2.886 14.278 ( 2.469 0.939 4.808) 5.486 14.723 ( -3.252 -0.272 -3.087) 4.492 15.358 ( 2.722 1.765 -2.593) 4.153 15.560 ( -0.647 0.600 -3.926) 4.023 15.980 ( -0.427 -0.892 2.694) 2.869 16.157 ( -2.419 -0.029 0.272) 2.435 16.362 ( 2.916 1.223 3.613) 4.801 18.514 ( -1.739 -0.095 2.664) 3.183 18.826 ( 3.826 0.530 -2.372) 4.533 23.863 ( -3.597 0.370 0.261) 3.626 24.018 ( -3.886 0.235 1.100) 4.046 25.873 ( 1.284 -0.548 -0.598) 1.519 26.026 ( 4.863 -0.129 5.867) 7.621 26.378 ( -10.281 -0.857 -14.318) 17.647 26.635 ( -0.840 0.305 -0.197) 0.915 26.689 ( 0.288 0.115 0.494) 0.583 27.850 ( 6.895 -0.424 6.820) 9.707 28.087 ( -2.303 -0.275 2.783) 3.623 28.319 ( -7.722 1.736 -3.452) 8.635 28.733 ( 0.025 0.054 -0.264) 0.271 28.812 ( 0.277 -0.549 0.035) 0.616 28.989 ( 0.685 -0.604 -1.851) 2.064 30.615 ( 9.913 0.292 3.327) 10.461 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 19.068 -0.000) 19.068 1.786 ( 0.000 18.435 -0.000) 18.435 2.188 ( 0.000 1.708 -0.000) 1.708 2.273 ( 0.000 1.353 -0.000) 1.353 2.332 ( -0.000 -9.304 0.000) 9.304 2.344 ( -0.000 -0.105 0.000) 0.105 2.651 ( -0.000 -2.160 0.000) 2.160 2.700 ( -0.000 -0.019 0.000) 0.019 2.818 ( 0.000 2.266 -0.000) 2.266 2.856 ( -0.000 -6.748 0.000) 6.748 2.920 ( -0.000 -6.403 0.000) 6.403 2.937 ( -0.000 -6.057 0.000) 6.057 3.400 ( 0.000 21.228 -0.000) 21.228 3.641 ( 0.000 19.097 -0.000) 19.097 3.808 ( 0.000 2.710 -0.000) 2.710 3.840 ( 0.000 0.747 -0.000) 0.747 3.948 ( -0.000 -6.998 0.000) 6.998 4.221 ( -0.000 -3.093 0.000) 3.093 4.504 ( 0.000 2.176 -0.000) 2.176 4.519 ( -0.000 -6.231 0.000) 6.231 4.833 ( -0.000 -1.530 0.000) 1.530 5.084 ( -0.000 -2.518 0.000) 2.518 5.182 ( 0.000 1.013 -0.000) 1.013 5.269 ( -0.000 -1.549 0.000) 1.549 5.478 ( 0.000 1.255 -0.000) 1.255 5.607 ( 0.000 0.278 -0.000) 0.278 5.695 ( 0.000 1.035 -0.000) 1.035 5.796 ( -0.000 -6.009 0.000) 6.009 5.895 ( 0.000 0.642 -0.000) 0.642 6.654 ( -0.000 -3.075 0.000) 3.075 6.880 ( -0.000 -5.698 0.000) 5.698 7.451 ( 0.000 7.694 -0.000) 7.694 8.032 ( -0.000 -2.073 0.000) 2.073 8.072 ( -0.000 -0.903 0.000) 0.903 8.120 ( -0.000 -2.513 0.000) 2.513 8.461 ( -0.000 -1.413 0.000) 1.413 8.617 ( -0.000 -1.130 0.000) 1.130 9.751 ( -0.000 -3.580 0.000) 3.580 9.775 ( 0.000 2.455 -0.000) 2.455 10.304 ( -0.000 -2.082 0.000) 2.082 11.856 ( -0.000 -0.544 0.000) 0.544 12.517 ( 0.000 1.026 -0.000) 1.026 12.710 ( 0.000 3.289 -0.000) 3.289 12.849 ( 0.000 0.267 -0.000) 0.267 12.960 ( -0.000 -2.449 0.000) 2.449 13.014 ( -0.000 -2.568 0.000) 2.568 13.344 ( -0.000 -2.142 0.000) 2.142 13.764 ( 0.000 0.736 -0.000) 0.736 13.789 ( -0.000 -1.827 0.000) 1.827 14.293 ( 0.000 2.204 -0.000) 2.204 14.696 ( -0.000 -0.698 0.000) 0.698 15.346 ( 0.000 2.692 -0.000) 2.692 15.534 ( 0.000 0.389 -0.000) 0.389 15.998 ( -0.000 -1.150 0.000) 1.150 16.137 ( 0.000 0.197 -0.000) 0.197 16.374 ( 0.000 2.315 -0.000) 2.315 18.513 ( -0.000 -0.429 0.000) 0.429 18.840 ( 0.000 0.951 -0.000) 0.951 23.829 ( 0.000 0.700 -0.000) 0.700 23.983 ( 0.000 0.689 -0.000) 0.689 25.890 ( -0.000 -1.006 0.000) 1.006 26.125 ( 0.000 0.164 -0.000) 0.164 26.222 ( -0.000 -1.079 0.000) 1.079 26.625 ( 0.000 0.340 -0.000) 0.340 26.689 ( 0.000 0.236 -0.000) 0.236 27.951 ( -0.000 -1.361 0.000) 1.361 28.081 ( -0.000 -0.304 0.000) 0.304 28.208 ( 0.000 2.570 -0.000) 2.570 28.734 ( -0.000 -0.177 0.000) 0.177 28.817 ( -0.000 -0.161 0.000) 0.161 28.992 ( -0.000 -0.213 0.000) 0.213 30.704 ( -0.000 -0.443 0.000) 0.443 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -0.000 -0.000 0.000) 0.000 2.006 ( -0.000 -0.000 0.000) 0.000 2.136 ( -0.000 -0.000 0.000) 0.000 2.262 ( -0.000 -0.000 0.000) 0.000 2.289 ( -0.000 -0.000 0.000) 0.000 2.341 ( -0.000 -0.000 0.000) 0.000 2.594 ( -0.000 -0.000 0.000) 0.000 2.700 ( -0.000 -0.000 0.000) 0.000 2.745 ( -0.000 -0.000 0.000) 0.000 2.799 ( -0.000 -0.000 0.000) 0.000 2.859 ( -0.000 -0.000 0.000) 0.000 2.875 ( -0.000 -0.000 0.000) 0.000 3.727 ( 0.000 0.000 -0.000) 0.000 3.752 ( -0.000 -0.000 0.000) 0.000 3.816 ( -0.000 -0.000 0.000) 0.000 3.872 ( -0.000 -0.000 0.000) 0.000 4.083 ( 0.000 0.000 -0.000) 0.000 4.139 ( -0.000 -0.000 0.000) 0.000 4.352 ( -0.000 -0.000 0.000) 0.000 4.534 ( -0.000 -0.000 0.000) 0.000 4.810 ( -0.000 -0.000 0.000) 0.000 5.057 ( -0.000 -0.000 0.000) 0.000 5.200 ( -0.000 -0.000 0.000) 0.000 5.246 ( -0.000 -0.000 0.000) 0.000 5.496 ( -0.000 -0.000 0.000) 0.000 5.605 ( -0.000 -0.000 0.000) 0.000 5.653 ( -0.000 -0.000 0.000) 0.000 5.768 ( -0.000 -0.000 0.000) 0.000 5.908 ( -0.000 -0.000 0.000) 0.000 6.614 ( -0.000 -0.000 0.000) 0.000 6.808 ( -0.000 -0.000 0.000) 0.000 7.551 ( -0.000 -0.000 0.000) 0.000 8.009 ( -0.000 -0.000 0.000) 0.000 8.044 ( -0.000 -0.000 0.000) 0.000 8.090 ( -0.000 -0.000 0.000) 0.000 8.444 ( -0.000 -0.000 0.000) 0.000 8.608 ( -0.000 -0.000 0.000) 0.000 9.704 ( -0.000 -0.000 0.000) 0.000 9.808 ( -0.000 -0.000 0.000) 0.000 10.278 ( -0.000 -0.000 0.000) 0.000 11.849 ( -0.000 -0.000 0.000) 0.000 12.531 ( -0.000 -0.000 0.000) 0.000 12.760 ( -0.000 -0.000 0.000) 0.000 12.853 ( -0.000 -0.000 0.000) 0.000 12.925 ( -0.000 -0.000 0.000) 0.000 12.984 ( -0.000 -0.000 0.000) 0.000 13.318 ( -0.000 -0.000 0.000) 0.000 13.757 ( -0.000 -0.000 0.000) 0.000 13.772 ( -0.000 -0.000 0.000) 0.000 14.319 ( -0.000 -0.000 0.000) 0.000 14.687 ( -0.000 -0.000 0.000) 0.000 15.373 ( -0.000 -0.000 0.000) 0.000 15.555 ( -0.000 -0.000 0.000) 0.000 15.978 ( -0.000 -0.000 0.000) 0.000 16.139 ( -0.000 -0.000 0.000) 0.000 16.402 ( -0.000 -0.000 0.000) 0.000 18.508 ( -0.000 -0.000 0.000) 0.000 18.852 ( -0.000 -0.000 0.000) 0.000 23.838 ( -0.000 -0.000 0.000) 0.000 23.991 ( -0.000 -0.000 0.000) 0.000 25.878 ( -0.000 -0.000 0.000) 0.000 26.126 ( -0.000 -0.000 0.000) 0.000 26.207 ( -0.000 -0.000 0.000) 0.000 26.630 ( -0.000 -0.000 0.000) 0.000 26.693 ( -0.000 -0.000 0.000) 0.000 27.934 ( -0.000 -0.000 0.000) 0.000 28.077 ( -0.000 -0.000 0.000) 0.000 28.244 ( -0.000 -0.000 0.000) 0.000 28.732 ( -0.000 -0.000 0.000) 0.000 28.815 ( -0.000 -0.000 0.000) 0.000 28.986 ( -0.000 -0.000 0.000) 0.000 30.699 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -11.458 -0.000 21.991) 24.797 0.601 ( 1.680 0.000 27.324) 27.376 1.153 ( -11.386 -0.000 51.278) 52.527 2.129 ( -3.943 -0.000 -4.220) 5.775 2.304 ( -3.052 -0.000 1.505) 3.403 2.348 ( -1.723 -0.000 13.934) 14.040 2.478 ( 1.857 0.000 -12.019) 12.161 2.665 ( 1.780 0.000 1.290) 2.199 2.844 ( -3.743 -0.000 3.002) 4.798 2.933 ( -3.036 -0.000 -0.898) 3.167 3.009 ( -3.468 -0.000 -1.068) 3.629 3.234 ( 13.103 0.000 2.237) 13.293 3.261 ( 3.505 0.000 -4.202) 5.472 3.571 ( 3.064 0.000 -9.437) 9.922 3.680 ( -22.192 -0.000 5.577) 22.882 3.898 ( -3.897 -0.000 2.113) 4.433 3.924 ( 2.543 0.000 5.176) 5.767 4.397 ( 0.195 0.000 3.357) 3.363 4.429 ( -3.755 -0.000 -1.970) 4.240 4.559 ( -1.451 -0.000 7.198) 7.342 5.042 ( -0.755 -0.000 -6.898) 6.939 5.231 ( 4.439 0.000 0.664) 4.489 5.379 ( 5.485 0.000 4.753) 7.258 5.385 ( 10.050 0.000 2.161) 10.280 5.524 ( -8.505 -0.000 3.238) 9.100 5.619 ( 2.484 0.000 3.222) 4.068 5.782 ( 0.241 0.000 4.606) 4.612 5.938 ( -8.944 -0.000 -3.251) 9.516 6.275 ( 9.340 0.000 5.417) 10.797 6.458 ( 22.332 0.000 -2.758) 22.502 6.686 ( -3.544 -0.000 0.050) 3.545 6.902 ( 0.933 0.000 -7.676) 7.732 8.056 ( 16.368 0.000 0.552) 16.377 8.071 ( 1.893 0.000 -2.620) 3.233 8.260 ( 3.748 0.000 -2.603) 4.563 8.572 ( -1.437 -0.000 2.158) 2.592 8.990 ( -0.551 -0.000 -16.603) 16.612 9.523 ( 13.031 0.000 -12.641) 18.155 10.080 ( -14.186 -0.000 8.505) 16.540 10.466 ( 0.863 0.000 0.780) 1.163 11.933 ( 1.775 0.000 4.455) 4.796 12.666 ( -8.342 -0.000 3.120) 8.906 12.733 ( 3.039 0.000 -8.868) 9.374 12.942 ( -9.019 -0.000 -4.335) 10.007 13.192 ( 0.204 0.000 3.849) 3.855 13.412 ( -9.463 -0.000 -7.959) 12.365 13.606 ( 3.095 0.000 -1.319) 3.365 13.611 ( -5.258 -0.000 -0.390) 5.272 13.859 ( -19.112 -0.000 5.960) 20.020 14.057 ( -3.061 -0.000 -2.425) 3.905 14.856 ( 0.951 0.000 5.881) 5.957 15.245 ( 5.992 0.000 -0.787) 6.044 15.698 ( 1.728 0.000 5.012) 5.301 15.843 ( -15.103 -0.000 -2.491) 15.307 15.912 ( 0.745 0.000 1.819) 1.966 16.195 ( -0.063 -0.000 0.194) 0.204 18.394 ( -4.860 -0.000 3.208) 5.824 18.753 ( 3.721 0.000 -1.866) 4.163 23.835 ( -1.766 -0.000 4.348) 4.693 24.125 ( -27.844 -0.000 0.803) 27.855 25.962 ( -0.683 -0.000 -3.357) 3.426 25.969 ( 1.011 0.000 -3.569) 3.709 26.615 ( 0.201 0.000 1.039) 1.058 26.732 ( 0.611 0.000 0.208) 0.645 27.518 ( 67.189 0.000 1.827) 67.214 27.921 ( -10.724 -0.000 -7.975) 13.364 28.287 ( 4.878 0.000 8.622) 9.906 28.665 ( -22.872 -0.000 -0.109) 22.872 28.744 ( 0.593 0.000 -0.593) 0.839 28.824 ( -1.465 -0.000 1.361) 2.000 28.853 ( -8.614 -0.000 -3.269) 9.213 28.936 ( -1.737 -0.000 0.531) 1.816 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 10.183 -17.293 13.347) 24.101 1.010 ( 15.441 -9.989 22.644) 29.172 1.543 ( 15.881 -12.731 39.146) 44.122 2.142 ( 7.907 -0.152 -7.321) 10.777 2.275 ( -1.933 -0.728 0.980) 2.286 2.438 ( 2.077 0.191 -10.519) 10.724 2.488 ( 7.073 -0.891 15.200) 16.789 2.681 ( -0.348 5.698 0.995) 5.794 2.794 ( -4.581 0.444 0.790) 4.670 2.899 ( 0.477 -8.332 -0.817) 8.386 2.960 ( 0.331 2.594 -2.893) 3.900 3.278 ( 0.931 0.213 -2.947) 3.098 3.420 ( -1.002 3.514 11.124) 11.709 3.517 ( 8.005 2.266 -7.059) 10.911 3.589 ( 4.922 -2.698 -1.311) 5.764 3.864 ( -1.091 -0.154 -0.703) 1.307 4.001 ( 1.474 -0.447 7.515) 7.671 4.380 ( -1.666 -0.492 -1.482) 2.284 4.431 ( -0.605 -2.526 3.008) 3.975 4.599 ( 2.660 0.454 3.569) 4.474 4.968 ( -3.651 -0.169 -4.013) 5.428 5.257 ( -0.891 1.651 0.326) 1.904 5.363 ( -9.519 2.629 -0.287) 9.879 5.369 ( -0.533 3.822 1.718) 4.224 5.464 ( -2.153 -0.269 4.091) 4.631 5.581 ( -2.457 7.346 5.779) 9.664 5.804 ( -3.812 2.346 -2.012) 4.907 5.852 ( 4.872 -0.234 4.600) 6.705 6.395 ( 11.671 9.679 4.954) 15.951 6.635 ( -3.689 -12.229 -5.267) 13.816 6.803 ( 7.160 -0.707 -4.234) 8.348 6.889 ( 1.378 -5.805 -5.432) 8.068 8.054 ( -2.123 0.512 -1.167) 2.476 8.225 ( 6.426 -0.401 -9.938) 11.841 8.258 ( -2.035 1.208 -2.530) 3.464 8.573 ( 0.805 0.894 2.131) 2.448 8.752 ( -9.787 5.312 -8.038) 13.734 9.592 ( 4.934 0.127 -10.754) 11.832 9.938 ( -11.519 2.101 7.385) 13.844 10.493 ( 3.052 1.793 1.678) 3.917 12.009 ( 4.512 0.259 5.994) 7.506 12.529 ( -5.038 0.061 3.643) 6.217 12.692 ( 0.685 1.598 -10.793) 10.932 12.778 ( -9.090 -1.015 -3.583) 9.823 13.175 ( -1.873 4.249 3.921) 6.078 13.347 ( 8.224 3.929 -5.624) 10.710 13.580 ( 2.358 1.887 3.355) 4.514 13.623 ( -1.292 -0.639 -0.734) 1.618 13.762 ( -3.679 0.134 6.537) 7.502 14.001 ( -3.740 -2.630 -3.560) 5.794 14.862 ( 1.411 2.742 6.068) 6.807 15.308 ( 2.527 2.604 0.245) 3.637 15.720 ( -1.266 0.243 -1.463) 1.951 15.819 ( 0.427 -6.479 3.571) 7.411 15.957 ( 2.130 -1.870 1.218) 3.085 16.209 ( 1.275 -0.499 0.474) 1.449 18.378 ( -1.923 -2.789 -0.393) 3.410 18.790 ( 1.451 -0.216 0.289) 1.495 23.871 ( 2.752 -0.308 4.956) 5.677 24.009 ( 1.527 -0.294 4.062) 4.350 25.917 ( -1.896 0.325 -4.200) 4.620 25.944 ( -1.213 0.414 -3.391) 3.625 26.619 ( -0.432 -0.150 1.289) 1.367 26.739 ( 0.452 0.669 0.363) 0.886 27.666 ( -9.128 8.246 -6.624) 13.971 27.886 ( 2.792 42.447 20.526) 47.232 28.010 ( 6.215 0.311 -3.335) 7.060 28.407 ( 4.318 2.043 6.747) 8.267 28.747 ( -1.392 -1.035 -0.682) 1.864 28.819 ( -1.164 -1.204 1.209) 2.065 29.006 ( 8.137 -1.466 -0.027) 8.268 29.350 ( -8.261 -48.905 -19.958) 53.463 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 14.716 -15.187 7.197) 22.339 1.440 ( 10.082 -10.243 20.987) 25.437 2.168 ( 9.216 -4.412 3.838) 10.915 2.238 ( 14.337 -8.516 8.555) 18.742 2.269 ( 0.203 -0.669 3.955) 4.016 2.412 ( 3.722 -0.835 -11.002) 11.645 2.535 ( -5.586 6.685 1.779) 8.891 2.706 ( 5.928 -1.543 7.683) 9.826 2.793 ( 3.060 -1.281 6.306) 7.125 2.927 ( 2.039 1.999 -3.228) 4.310 3.066 ( 6.306 -7.070 -0.175) 9.475 3.237 ( -3.314 0.405 -0.993) 3.483 3.423 ( -0.608 -0.026 7.073) 7.099 3.503 ( -1.377 0.230 -0.755) 1.587 3.807 ( 13.299 2.595 -0.127) 13.550 3.874 ( 6.398 -0.620 -5.390) 8.389 4.046 ( -1.483 0.614 9.990) 10.118 4.358 ( -1.346 -0.483 -1.965) 2.430 4.504 ( 4.379 -3.093 3.475) 6.389 4.662 ( 6.185 2.030 2.043) 6.822 4.915 ( -6.209 -3.002 0.556) 6.919 5.163 ( -7.323 -3.727 -4.579) 9.406 5.216 ( -1.477 5.711 -0.733) 5.944 5.340 ( -0.627 3.144 -1.322) 3.467 5.414 ( -4.433 4.785 9.318) 11.374 5.548 ( 0.449 0.028 2.319) 2.362 5.710 ( -2.039 5.394 -0.382) 5.779 5.987 ( 8.835 -1.282 2.850) 9.372 6.432 ( 6.130 10.976 3.106) 12.949 6.682 ( -2.729 -7.369 -5.520) 9.603 6.766 ( -3.431 -2.007 -5.919) 7.130 6.981 ( 1.099 -0.736 1.483) 1.987 7.988 ( -7.382 -2.431 0.720) 7.805 8.108 ( -13.239 0.764 -1.364) 13.331 8.228 ( 3.399 -0.128 -10.611) 11.143 8.548 ( -3.553 3.460 -7.742) 9.195 8.619 ( 5.052 1.661 -1.207) 5.453 9.523 ( -9.944 0.539 0.778) 9.988 9.816 ( -3.153 0.737 -1.593) 3.609 10.527 ( 3.878 3.712 3.125) 6.212 12.121 ( 6.290 0.642 6.147) 8.819 12.556 ( 4.297 -0.021 -3.000) 5.241 12.610 ( -2.752 -1.850 -9.120) 9.704 12.658 ( -4.032 -0.118 -4.140) 5.781 13.108 ( -3.224 3.582 2.969) 5.661 13.373 ( 1.354 1.731 -0.744) 2.320 13.592 ( -0.261 0.775 -1.439) 1.655 13.648 ( 5.995 3.509 1.049) 7.025 13.757 ( -1.017 -0.700 4.620) 4.782 13.971 ( -2.897 -4.039 -3.802) 6.258 14.913 ( 3.034 0.389 5.553) 6.340 15.234 ( -3.844 6.341 -2.039) 7.690 15.727 ( -0.348 -3.254 -1.565) 3.628 15.908 ( 2.032 -2.295 3.522) 4.669 16.021 ( 3.012 -0.548 2.342) 3.855 16.246 ( 1.995 -0.735 0.855) 2.292 18.386 ( 0.948 -1.375 -2.726) 3.197 18.801 ( -1.507 -0.412 2.512) 2.958 23.972 ( 5.603 -0.308 6.449) 8.548 24.081 ( 3.610 -0.123 2.897) 4.630 25.852 ( -2.311 0.411 -4.965) 5.492 25.904 ( -1.228 0.213 -2.215) 2.542 26.627 ( 0.111 -0.523 1.407) 1.505 26.728 ( -0.557 1.325 -0.036) 1.438 27.403 ( -10.634 3.084 -11.078) 15.662 27.651 ( -4.214 14.783 21.197) 26.184 28.108 ( 11.627 6.308 -3.703) 13.736 28.457 ( 2.443 3.167 4.050) 5.692 28.745 ( -0.478 -0.888 -0.041) 1.009 28.833 ( -1.882 -3.128 2.663) 4.519 29.159 ( 11.107 -0.043 -0.011) 11.107 29.524 ( -9.207 -24.478 -14.908) 30.103 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 14.447 -12.253 4.233) 19.411 1.785 ( 6.557 -8.373 15.539) 18.829 2.093 ( -7.212 4.871 2.080) 8.948 2.198 ( -6.702 6.639 -1.085) 9.496 2.363 ( 0.839 1.694 -5.536) 5.850 2.447 ( 6.472 -1.365 -5.247) 8.443 2.702 ( -0.103 -1.102 2.572) 2.800 2.797 ( 6.503 -5.382 5.352) 9.995 2.918 ( 1.890 -2.165 6.053) 6.701 3.015 ( 7.570 -6.192 4.599) 10.807 3.144 ( -0.934 1.605 -1.619) 2.464 3.222 ( -0.077 -5.086 -1.186) 5.223 3.461 ( -3.714 0.299 14.200) 14.680 3.490 ( 3.929 2.320 -3.066) 5.497 3.821 ( -0.218 2.561 -7.203) 7.648 3.999 ( 6.214 0.450 5.096) 8.049 4.098 ( 1.863 -0.774 8.793) 9.021 4.332 ( -2.734 -2.453 -0.153) 3.677 4.648 ( 3.919 -2.659 5.469) 7.235 4.794 ( -2.685 -0.866 1.070) 3.018 4.819 ( 10.055 1.992 -1.200) 10.321 5.090 ( -1.916 1.914 -5.437) 6.074 5.217 ( -4.377 -2.956 3.345) 6.252 5.259 ( -5.269 1.747 4.468) 7.126 5.353 ( -0.911 1.252 -0.645) 1.677 5.580 ( 0.391 0.283 3.323) 3.358 5.672 ( 7.713 1.843 -2.190) 8.227 6.165 ( 11.023 -1.996 -0.259) 11.205 6.354 ( -0.920 12.368 2.591) 12.670 6.601 ( -7.616 0.292 -5.380) 9.329 6.765 ( -1.340 -5.397 -2.530) 6.109 6.923 ( -4.621 4.930 0.992) 6.829 7.876 ( -14.396 -2.420 -2.155) 14.756 7.934 ( -5.404 -2.074 0.931) 5.863 8.246 ( 6.230 -1.506 -10.832) 12.586 8.420 ( -1.138 2.829 -11.549) 11.945 8.698 ( 8.730 2.086 -1.483) 9.097 9.334 ( -16.242 1.000 7.808) 18.049 9.811 ( 3.264 -3.352 -6.539) 8.040 10.556 ( 3.223 4.710 6.036) 8.307 12.244 ( 6.631 0.466 4.446) 7.997 12.433 ( -11.228 -0.449 -3.639) 11.811 12.612 ( 1.058 -0.666 -6.573) 6.691 12.709 ( 12.241 -1.387 -7.465) 14.405 13.041 ( -5.212 0.726 4.881) 7.177 13.354 ( -3.134 -0.587 3.377) 4.644 13.586 ( 2.309 1.978 -0.518) 3.085 13.650 ( -0.403 0.551 -2.292) 2.392 13.803 ( 0.907 1.306 5.426) 5.654 13.969 ( 1.819 -2.007 -4.504) 5.255 14.992 ( 2.450 -0.797 3.035) 3.982 15.068 ( -4.898 5.512 -3.326) 8.089 15.735 ( -2.951 -4.000 -2.832) 5.721 15.973 ( 2.168 -0.282 2.733) 3.500 16.084 ( 2.884 1.252 5.581) 6.406 16.287 ( 1.561 -0.422 0.995) 1.899 18.408 ( 3.359 -0.329 -4.193) 5.383 18.786 ( -3.628 -0.423 4.049) 5.453 24.103 ( 5.086 -0.373 8.239) 9.689 24.131 ( 0.420 0.054 3.961) 3.984 25.800 ( -0.335 -0.124 -4.783) 4.796 25.882 ( -0.304 -0.167 -0.954) 1.015 26.649 ( 0.731 -0.558 1.194) 1.507 26.691 ( -1.404 1.792 -1.005) 2.488 27.144 ( -11.038 0.064 -16.662) 19.987 27.620 ( -0.211 6.037 18.425) 19.390 28.169 ( 7.468 4.498 -2.229) 8.999 28.462 ( 0.048 1.782 2.311) 2.919 28.746 ( 0.253 0.187 -0.402) 0.510 28.860 ( -3.267 -4.144 4.292) 6.802 29.314 ( 8.415 -0.528 -1.373) 8.543 29.544 ( -3.159 -9.055 -8.583) 12.870 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -12.131 7.975 4.642) 15.241 1.882 ( 9.169 -4.510 1.242) 10.293 1.958 ( -8.245 7.114 3.407) 11.410 2.101 ( 3.172 -6.258 9.005) 11.416 2.395 ( 4.626 -2.824 -3.235) 6.312 2.523 ( 4.414 -1.211 -4.570) 6.468 2.638 ( -5.359 0.498 -1.177) 5.509 2.834 ( -4.622 4.612 -0.195) 6.533 2.948 ( -2.766 -1.705 -0.107) 3.251 3.117 ( 1.508 -0.403 -0.703) 1.712 3.209 ( 3.757 -3.205 1.208) 5.084 3.242 ( -3.618 -2.687 1.556) 4.768 3.458 ( -9.016 0.003 18.715) 20.774 3.515 ( 2.254 4.988 2.072) 5.852 3.736 ( 2.553 2.480 -8.888) 9.575 4.060 ( -1.707 -1.124 5.046) 5.444 4.188 ( -2.532 -0.721 9.302) 9.668 4.392 ( 3.096 -7.299 4.661) 9.197 4.653 ( -7.969 -1.679 -0.386) 8.153 4.754 ( 0.189 -2.044 2.607) 3.318 4.983 ( 1.937 3.376 -1.325) 4.112 4.999 ( -7.607 1.473 -3.884) 8.667 5.122 ( -0.748 3.968 2.139) 4.570 5.216 ( 4.048 -1.629 2.828) 5.200 5.410 ( 2.602 -1.968 4.490) 5.550 5.588 ( -1.376 0.346 4.192) 4.426 5.861 ( 11.831 -7.916 -6.496) 15.647 6.127 ( -9.689 13.921 2.326) 17.119 6.297 ( -1.483 -0.745 -3.079) 3.498 6.486 ( 2.295 -1.477 -3.362) 4.330 6.779 ( -5.357 -6.644 -1.916) 8.747 6.838 ( 5.233 8.144 0.380) 9.688 7.733 ( -4.939 -1.338 -2.261) 5.594 7.908 ( 0.264 0.530 -1.362) 1.485 8.297 ( 3.518 2.123 -11.155) 11.888 8.336 ( 5.541 -2.342 -12.344) 13.732 8.803 ( 9.437 1.397 -2.502) 9.862 9.132 ( -13.825 1.866 6.739) 15.493 9.909 ( 4.777 -7.805 -3.714) 9.876 10.588 ( 1.962 4.017 9.319) 10.335 12.214 ( -11.240 -0.380 -4.384) 12.071 12.387 ( 7.191 1.184 2.258) 7.629 12.603 ( 0.927 -1.751 -6.877) 7.156 12.856 ( 11.565 1.478 -8.923) 14.682 13.018 ( -4.849 -5.153 9.955) 12.214 13.352 ( -3.044 -2.690 6.150) 7.370 13.586 ( -0.409 0.861 -0.459) 1.058 13.644 ( 2.795 0.292 -2.401) 3.696 13.775 ( -6.290 -1.329 0.896) 6.491 14.023 ( 6.625 2.352 -0.569) 7.053 14.882 ( -6.912 1.438 -6.402) 9.530 15.091 ( 4.671 0.701 2.670) 5.426 15.706 ( -4.051 -4.010 -4.165) 7.060 16.006 ( 0.709 1.066 2.676) 2.966 16.138 ( 2.439 2.571 7.315) 8.128 16.306 ( 0.047 0.307 1.067) 1.111 18.447 ( 4.923 -0.193 -4.613) 6.750 18.752 ( -4.727 -0.092 4.624) 6.613 24.118 ( -4.224 0.385 4.364) 6.086 24.233 ( 2.449 -1.837 11.215) 11.625 25.795 ( 2.403 -0.823 -4.283) 4.980 25.890 ( 1.226 -0.286 0.383) 1.316 26.635 ( -1.120 2.097 -1.868) 3.023 26.676 ( 0.680 -0.631 0.528) 1.068 26.888 ( -10.796 -1.778 -19.295) 22.181 27.692 ( 2.176 1.183 15.038) 15.240 28.198 ( 4.134 3.219 -1.682) 5.503 28.451 ( -2.381 -0.912 1.701) 3.065 28.744 ( 0.507 0.648 -0.524) 0.976 28.875 ( -4.472 -3.842 4.554) 7.449 29.340 ( -6.699 -4.501 -4.438) 9.211 29.616 ( 15.350 6.691 -2.625) 16.949 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -19.686 10.974 4.954) 23.076 1.619 ( -13.832 15.870 5.715) 21.814 2.193 ( 9.849 -6.082 3.600) 12.122 2.227 ( 1.835 -2.900 2.339) 4.153 2.470 ( -3.869 -1.626 -1.731) 4.540 2.503 ( -2.423 3.200 -0.737) 4.081 2.567 ( -7.393 4.577 1.995) 8.921 2.618 ( -3.665 1.875 -2.174) 4.656 2.910 ( -1.941 -1.520 -5.539) 6.062 3.129 ( -1.920 1.080 -0.402) 2.239 3.229 ( -2.531 -0.158 4.005) 4.740 3.252 ( -0.385 -1.728 2.472) 3.040 3.387 ( -16.875 0.678 19.430) 25.744 3.425 ( -3.943 2.632 -0.147) 4.743 3.766 ( 7.244 1.019 -6.674) 9.902 4.035 ( -5.192 -0.145 2.508) 5.768 4.174 ( -7.904 -1.763 11.189) 13.812 4.513 ( -3.532 -3.655 1.030) 5.186 4.589 ( -5.587 -1.702 0.810) 5.897 4.676 ( -9.556 -2.970 1.397) 10.104 4.908 ( 2.164 -0.539 2.756) 3.546 4.947 ( -1.207 0.514 -4.385) 4.577 5.118 ( 4.962 3.904 -1.555) 6.502 5.333 ( 2.725 -1.709 5.352) 6.245 5.502 ( 0.930 0.079 4.868) 4.957 5.584 ( -0.383 -0.602 2.580) 2.676 5.856 ( -5.488 9.442 2.762) 11.265 6.036 ( 1.401 -8.315 -6.753) 10.803 6.145 ( -12.030 -2.583 -2.559) 12.568 6.619 ( 7.708 -2.897 -5.674) 10.000 6.760 ( 0.312 -0.485 -3.842) 3.885 6.866 ( 7.338 5.541 1.556) 9.325 7.738 ( 5.654 -0.744 -2.975) 6.432 7.918 ( 5.012 2.963 -1.186) 5.942 8.229 ( 2.494 1.816 -12.531) 12.905 8.455 ( 12.276 -3.263 -10.199) 16.290 8.852 ( -6.282 0.640 3.370) 7.157 9.031 ( 7.177 2.394 -3.361) 8.278 10.071 ( 3.076 -10.175 1.035) 10.680 10.611 ( -1.452 3.325 10.076) 10.710 12.042 ( -8.424 -0.585 -4.018) 9.352 12.482 ( 5.998 0.333 -1.563) 6.207 12.609 ( 2.324 -1.671 -5.468) 6.172 12.897 ( 2.389 1.219 -0.040) 2.682 13.150 ( 3.504 -7.810 5.846) 10.366 13.388 ( -3.615 -3.817 7.388) 9.068 13.561 ( -1.345 -0.620 -1.934) 2.436 13.677 ( 2.370 0.102 -0.545) 2.434 13.693 ( -7.877 -5.114 -1.886) 9.579 14.082 ( 5.334 3.690 2.003) 6.788 14.751 ( -4.900 -0.638 -6.001) 7.773 15.148 ( 3.968 2.025 -0.247) 4.462 15.677 ( -2.794 -4.595 -4.206) 6.827 15.999 ( -1.118 2.459 3.171) 4.166 16.178 ( 2.104 3.525 6.980) 8.098 16.294 ( -1.453 0.992 1.250) 2.158 18.502 ( 4.796 -0.599 -3.474) 5.952 18.705 ( -4.253 0.620 3.797) 5.735 24.050 ( -7.391 0.505 4.609) 8.725 24.357 ( -1.609 -5.854 15.048) 16.227 25.835 ( 4.075 -1.371 -3.792) 5.733 25.926 ( 2.564 -0.040 0.934) 2.729 26.587 ( -1.116 1.818 -3.991) 4.526 26.630 ( -9.102 -2.675 -17.072) 19.531 26.708 ( -0.541 -0.855 -1.464) 1.779 27.818 ( 3.805 -1.398 12.373) 13.020 28.198 ( 1.226 1.859 -1.750) 2.832 28.432 ( -5.441 -3.923 1.860) 6.961 28.743 ( 0.687 0.580 -0.181) 0.917 28.870 ( -4.794 -3.004 3.759) 6.792 29.221 ( -9.469 -1.057 -3.700) 10.221 29.762 ( 22.274 14.755 -3.142) 26.902 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -22.356 10.490 9.789) 26.564 1.222 ( -16.852 20.371 8.918) 27.902 1.956 ( -30.305 17.189 13.610) 37.405 2.327 ( -4.066 0.886 4.044) 5.803 2.370 ( -5.158 1.217 -1.357) 5.470 2.436 ( 9.242 -4.251 -2.380) 10.447 2.551 ( -1.596 -1.991 -1.221) 2.829 2.642 ( 0.317 -2.304 -1.925) 3.019 2.871 ( -0.576 1.235 -4.477) 4.679 3.018 ( -12.982 1.035 4.959) 13.935 3.116 ( -16.718 0.095 12.892) 21.112 3.252 ( -1.602 2.292 -2.133) 3.518 3.265 ( -2.374 1.572 4.865) 5.637 3.429 ( 2.012 -6.053 -2.827) 6.977 3.811 ( 4.279 0.761 -2.619) 5.074 3.991 ( -1.631 0.878 1.630) 2.467 4.082 ( -17.577 -3.308 11.966) 21.519 4.427 ( -5.091 -0.774 -5.186) 7.308 4.511 ( -4.059 -1.726 6.725) 8.042 4.700 ( -1.437 0.923 4.854) 5.146 4.899 ( -0.661 -1.503 -7.271) 7.454 5.003 ( 6.446 -1.003 1.961) 6.812 5.132 ( 4.560 3.711 -4.085) 7.159 5.388 ( -4.035 -2.785 4.999) 7.002 5.497 ( 1.285 1.100 4.859) 5.145 5.606 ( -1.091 0.988 5.105) 5.313 5.826 ( 4.092 0.663 1.948) 4.580 5.937 ( -9.381 0.660 1.060) 9.464 6.136 ( -3.016 -11.068 -7.576) 13.747 6.585 ( -4.765 2.168 -10.631) 11.850 6.781 ( 5.710 3.834 -2.154) 7.207 6.931 ( 7.287 4.062 -0.000) 8.343 7.860 ( 9.866 -0.615 -2.517) 10.200 7.963 ( 5.604 2.150 -1.582) 6.207 8.190 ( 4.153 1.510 -11.201) 12.041 8.629 ( 8.627 -3.356 -7.308) 11.794 8.738 ( -3.005 1.379 3.270) 4.651 9.176 ( 16.010 0.370 -8.313) 18.043 10.222 ( -1.908 -9.782 5.191) 11.238 10.566 ( -5.852 3.358 6.825) 9.597 11.941 ( -4.376 -0.862 -1.448) 4.690 12.552 ( 4.210 -2.411 -2.814) 5.608 12.649 ( 5.444 0.066 -4.284) 6.928 12.939 ( 2.104 -1.511 2.507) 3.605 13.302 ( -3.607 -3.502 10.169) 11.344 13.389 ( -1.375 -6.075 -2.708) 6.792 13.540 ( -0.431 0.314 -2.350) 2.410 13.687 ( 1.533 1.049 0.723) 1.994 13.719 ( -9.881 -20.127 4.624) 22.893 14.113 ( 2.558 3.188 1.873) 4.496 14.687 ( -1.216 -0.620 -3.189) 3.469 15.162 ( 3.227 2.626 -2.383) 4.795 15.685 ( -0.303 -4.119 -3.679) 5.531 15.959 ( -1.603 3.769 3.558) 5.425 16.195 ( 1.112 3.452 4.254) 5.590 16.260 ( -2.007 1.526 1.461) 2.914 18.541 ( -0.097 0.240 0.895) 0.932 18.674 ( 0.792 0.573 -0.486) 1.092 23.954 ( -7.965 0.479 4.602) 9.211 24.511 ( -7.204 -15.930 17.745) 24.911 25.896 ( 3.967 -1.981 -3.329) 5.544 25.968 ( 3.406 1.148 -0.063) 3.595 26.371 ( -10.583 -0.956 -16.351) 19.501 26.583 ( 1.125 0.555 -1.022) 1.618 26.716 ( 0.240 -0.465 0.142) 0.542 27.971 ( 4.881 -2.367 10.284) 11.627 28.171 ( -2.036 -0.147 -2.523) 3.246 28.403 ( -9.537 -8.134 3.313) 12.965 28.752 ( 1.204 0.113 0.394) 1.271 28.851 ( -3.864 -2.015 2.554) 5.051 29.062 ( -7.919 2.163 -2.962) 8.727 29.865 ( 26.518 25.434 -9.155) 37.867 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -20.963 8.376 17.161) 28.357 0.769 ( -17.964 21.802 14.760) 31.873 1.362 ( -36.699 14.158 34.607) 52.392 2.253 ( -4.856 -0.211 -5.300) 7.191 2.325 ( -1.807 0.871 4.213) 4.666 2.426 ( -17.031 0.279 10.386) 19.950 2.522 ( 1.403 0.261 -10.082) 10.183 2.649 ( -1.290 -2.630 0.487) 2.970 2.846 ( 7.330 1.924 1.206) 7.673 2.904 ( -6.264 0.298 7.533) 9.801 3.021 ( -2.960 -1.364 0.428) 3.287 3.196 ( -4.556 -1.279 0.376) 4.747 3.251 ( 1.829 2.205 -1.469) 3.219 3.524 ( 4.115 -4.945 -5.847) 8.694 3.851 ( 1.970 0.603 1.655) 2.643 3.933 ( -12.249 -5.469 4.237) 14.067 3.959 ( -7.404 -0.621 3.971) 8.424 4.385 ( -1.170 -1.324 -0.462) 1.826 4.533 ( -2.560 -0.861 7.160) 7.652 4.598 ( -6.339 7.551 -0.592) 9.877 4.939 ( 7.848 -5.091 1.284) 9.442 5.117 ( 7.342 3.654 -1.475) 8.332 5.140 ( 6.320 1.492 0.169) 6.496 5.381 ( -3.864 -2.347 4.904) 6.670 5.545 ( 1.618 0.185 3.474) 3.837 5.600 ( -3.841 -0.479 5.861) 7.024 5.801 ( -6.215 -0.730 2.665) 6.801 5.954 ( 5.654 -1.570 2.370) 6.328 6.159 ( -5.456 -8.125 -1.532) 9.906 6.411 ( 2.565 9.768 -10.584) 14.629 6.775 ( 0.158 4.613 -0.120) 4.618 6.946 ( 4.683 6.126 -6.213) 9.902 7.929 ( 2.835 2.211 -0.033) 3.596 8.030 ( 5.972 0.536 -1.556) 6.195 8.204 ( 6.473 0.781 -6.094) 8.924 8.599 ( -4.135 0.245 1.872) 4.545 8.890 ( 12.496 -5.653 -7.859) 15.807 9.366 ( 16.594 -0.060 -10.887) 19.847 10.252 ( -13.428 -5.038 8.049) 16.446 10.474 ( -3.053 1.345 0.700) 3.409 11.908 ( -1.263 -0.382 1.852) 2.274 12.638 ( 5.106 -1.750 -0.513) 5.422 12.709 ( 5.479 -0.421 -5.862) 8.034 13.004 ( 0.060 -3.288 0.293) 3.301 13.216 ( -8.033 0.232 3.160) 8.635 13.503 ( -0.087 -1.857 0.070) 1.861 13.520 ( 1.038 -6.123 -3.551) 7.154 13.677 ( -0.118 1.626 -1.604) 2.288 13.926 ( -16.967 -36.801 7.766) 41.261 14.104 ( -0.536 1.584 -0.226) 1.688 14.708 ( 3.250 -1.745 5.583) 6.691 15.179 ( 4.510 1.145 -2.312) 5.196 15.702 ( 1.556 0.954 -2.236) 2.887 15.918 ( -0.622 3.204 3.037) 4.459 16.149 ( -5.700 3.645 -5.487) 8.711 16.214 ( -2.092 1.076 -0.083) 2.354 18.491 ( -4.317 3.841 2.431) 6.269 18.708 ( 3.965 -0.619 -3.163) 5.110 23.870 ( -5.842 0.309 4.419) 7.332 24.608 ( -29.546 -26.161 -7.473) 40.164 25.944 ( 2.445 -1.654 -3.608) 4.661 25.990 ( 2.263 2.366 -2.787) 4.300 26.371 ( 21.262 -6.419 27.547) 35.385 26.599 ( 1.302 0.038 0.491) 1.392 26.726 ( 0.642 -0.046 0.425) 0.771 28.080 ( -3.520 0.151 -4.246) 5.518 28.147 ( 1.950 -3.518 8.450) 9.359 28.413 ( -14.129 -21.866 6.984) 26.954 28.779 ( 1.247 -0.404 0.518) 1.410 28.836 ( -2.002 -0.962 1.690) 2.791 28.922 ( -3.943 2.770 -2.581) 5.466 29.730 ( 20.334 50.885 -27.086) 61.126 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 21.605 0.000 13.587) 25.522 1.311 ( 12.800 0.000 23.362) 26.639 1.993 ( 25.159 0.000 25.272) 35.661 2.227 ( 8.730 0.000 -9.112) 12.619 2.265 ( -1.064 -0.000 4.814) 4.930 2.410 ( 3.929 0.000 -12.615) 13.213 2.680 ( 3.605 0.000 8.564) 9.292 2.682 ( -6.020 -0.000 -3.095) 6.769 2.769 ( 3.442 0.000 5.242) 6.271 2.927 ( 8.890 0.000 6.269) 10.878 2.973 ( 1.059 0.000 -3.261) 3.429 3.239 ( -3.634 -0.000 -4.445) 5.741 3.428 ( -5.565 -0.000 14.781) 15.794 3.497 ( 3.118 0.000 -10.089) 10.560 3.850 ( 18.890 0.000 -1.406) 18.943 3.855 ( 2.258 0.000 -5.794) 6.219 4.054 ( -1.539 -0.000 10.641) 10.752 4.357 ( -0.175 -0.000 -3.821) 3.825 4.460 ( 3.528 0.000 6.708) 7.579 4.682 ( 7.777 0.000 -0.965) 7.836 4.872 ( -5.907 -0.000 0.030) 5.907 5.122 ( -12.364 -0.000 -4.006) 12.997 5.289 ( -2.963 -0.000 -0.096) 2.965 5.378 ( -4.257 -0.000 2.818) 5.105 5.481 ( 0.651 0.000 7.166) 7.196 5.545 ( -5.810 -0.000 -3.592) 6.830 5.845 ( 0.635 0.000 4.202) 4.249 5.959 ( 7.602 0.000 2.240) 7.925 6.445 ( -3.102 -0.000 -3.113) 4.395 6.689 ( 7.394 0.000 -2.945) 7.959 6.790 ( 1.430 0.000 -0.410) 1.488 6.885 ( 1.926 0.000 2.449) 3.115 7.978 ( -8.474 -0.000 1.668) 8.636 8.103 ( -12.135 -0.000 -9.810) 15.604 8.230 ( 0.562 0.000 -6.600) 6.624 8.597 ( -6.429 -0.000 -9.425) 11.409 8.633 ( 5.121 0.000 0.914) 5.202 9.531 ( -8.976 -0.000 -0.554) 8.993 9.832 ( -6.261 -0.000 0.178) 6.264 10.570 ( 3.686 0.000 3.306) 4.952 12.131 ( 6.640 0.000 6.351) 9.188 12.560 ( 8.115 0.000 -4.500) 9.279 12.577 ( -7.906 -0.000 -9.125) 12.074 12.663 ( -2.047 -0.000 -6.695) 7.001 13.158 ( -6.141 -0.000 2.837) 6.765 13.383 ( -1.112 -0.000 -3.040) 3.237 13.608 ( 0.418 0.000 -1.114) 1.190 13.721 ( 10.583 0.000 -1.988) 10.768 13.749 ( -1.482 -0.000 6.668) 6.831 13.896 ( -4.814 -0.000 -3.397) 5.892 14.928 ( 2.454 0.000 3.909) 4.615 15.334 ( -3.541 -0.000 1.308) 3.775 15.670 ( -1.535 -0.000 -5.331) 5.547 15.874 ( 4.313 0.000 8.099) 9.176 16.017 ( 4.269 0.000 3.944) 5.812 16.232 ( 1.938 0.000 -0.008) 1.938 18.364 ( 2.204 0.000 -1.451) 2.639 18.796 ( -1.544 -0.000 2.657) 3.073 23.969 ( 5.871 0.000 6.476) 8.740 24.080 ( 4.102 0.000 2.473) 4.790 25.860 ( -2.301 -0.000 -4.998) 5.503 25.904 ( -1.840 -0.000 -2.758) 3.316 26.620 ( -0.125 -0.000 1.551) 1.556 26.744 ( -0.518 -0.000 -0.059) 0.521 27.433 ( -12.910 -0.000 -13.670) 18.802 27.839 ( -15.157 -0.000 13.325) 20.181 28.431 ( -2.144 -0.000 6.931) 7.255 28.595 ( 11.752 0.000 -8.072) 14.258 28.733 ( -1.695 -0.000 -1.291) 2.130 28.788 ( 2.880 0.000 0.673) 2.958 28.805 ( -0.757 -0.000 0.378) 0.847 29.239 ( 16.056 0.000 -0.175) 16.057 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 21.882 -3.457 10.023) 24.315 1.631 ( 10.010 -3.800 20.448) 23.082 2.201 ( -3.242 3.300 1.676) 4.920 2.281 ( 4.205 0.419 -8.204) 9.228 2.412 ( 7.308 -0.556 -8.921) 11.545 2.466 ( 3.892 2.418 1.222) 4.742 2.627 ( 11.216 -0.806 13.023) 17.206 2.692 ( -2.003 -2.092 -0.312) 2.913 2.893 ( 0.204 -1.112 8.803) 8.875 2.965 ( 2.394 0.649 -2.086) 3.240 3.099 ( 2.126 -4.335 5.356) 7.211 3.152 ( -1.876 -0.598 -5.459) 5.803 3.453 ( -4.588 -0.490 17.245) 17.852 3.522 ( 7.495 0.495 -8.279) 11.179 3.862 ( 4.818 0.788 -9.115) 10.341 4.015 ( 3.081 0.684 1.649) 3.561 4.088 ( -0.597 -0.223 10.730) 10.749 4.291 ( -7.104 -0.761 -1.180) 7.242 4.597 ( 6.622 -1.308 4.940) 8.365 4.765 ( -10.928 -0.903 -0.545) 10.979 4.853 ( 17.646 0.731 -1.879) 17.761 5.028 ( 1.541 -3.696 -3.687) 5.443 5.223 ( -4.940 2.091 3.084) 6.187 5.311 ( -6.190 1.463 4.705) 7.912 5.410 ( -5.692 2.181 -5.502) 8.211 5.550 ( 1.445 -1.625 4.420) 4.926 5.810 ( -1.434 6.799 5.411) 8.807 6.117 ( 11.010 -1.887 -0.571) 11.185 6.433 ( -2.375 -5.097 -4.137) 6.981 6.606 ( -6.790 0.871 -7.228) 9.955 6.798 ( 1.429 9.115 4.020) 10.064 6.985 ( 2.795 -2.410 3.489) 5.078 7.820 ( -14.041 -0.461 -4.613) 14.787 7.886 ( -7.876 -2.658 0.247) 8.316 8.218 ( 3.373 -0.595 -8.691) 9.342 8.463 ( -2.826 0.922 -12.009) 12.372 8.734 ( 9.134 0.810 -1.602) 9.308 9.349 ( -17.138 0.298 8.478) 19.123 9.769 ( -0.411 -0.651 -6.415) 6.461 10.632 ( 2.334 1.665 5.564) 6.259 12.263 ( 6.919 1.059 4.833) 8.506 12.408 ( -9.881 -1.270 -5.616) 11.436 12.606 ( 0.367 -0.021 -7.546) 7.555 12.686 ( 12.727 -0.451 -7.853) 14.962 13.054 ( -8.736 0.234 2.493) 9.088 13.334 ( -4.543 -0.520 1.443) 4.795 13.624 ( 2.933 0.600 -0.940) 3.137 13.692 ( -3.128 2.574 0.629) 4.100 13.812 ( -3.836 -0.612 0.929) 3.994 13.925 ( 10.041 -1.229 -0.491) 10.128 14.995 ( 4.307 0.528 2.545) 5.030 15.206 ( -8.435 4.693 -1.446) 9.761 15.635 ( -2.141 -3.488 -5.853) 7.142 15.980 ( 4.012 0.670 6.290) 7.491 16.105 ( 3.677 0.511 6.475) 7.463 16.265 ( 1.393 -1.057 0.235) 1.764 18.405 ( 4.798 -0.015 -3.662) 6.036 18.778 ( -3.742 -0.232 4.344) 5.739 24.100 ( 5.354 0.032 8.454) 10.007 24.134 ( 0.592 0.091 3.464) 3.515 25.801 ( -1.118 0.145 -5.146) 5.268 25.874 ( -0.573 -0.385 -1.544) 1.691 26.636 ( 0.695 -0.363 1.562) 1.747 26.720 ( -1.804 0.584 -0.989) 2.139 27.153 ( -12.712 0.441 -16.090) 20.510 27.727 ( -7.445 2.322 13.029) 15.185 28.357 ( 0.327 9.132 3.982) 9.968 28.569 ( 2.827 9.131 0.228) 9.561 28.712 ( -0.427 -2.534 -0.056) 2.570 28.802 ( -0.256 -0.586 -0.408) 0.759 29.014 ( -2.238 -19.753 -3.402) 20.169 29.497 ( 18.969 1.025 -1.036) 19.024 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 19.713 -2.428 7.130) 21.103 1.909 ( 6.131 -2.342 15.249) 16.602 2.062 ( -6.525 6.282 0.927) 9.105 2.211 ( -3.323 8.780 -3.078) 9.879 2.380 ( 1.073 2.060 -4.252) 4.845 2.486 ( 5.482 -1.761 -5.713) 8.111 2.656 ( -4.683 0.204 -0.863) 4.766 2.868 ( 1.090 -0.636 1.573) 2.017 2.895 ( -3.477 -2.282 1.990) 4.610 3.078 ( 5.749 -3.881 -1.387) 7.074 3.100 ( 1.476 -4.111 4.576) 6.326 3.199 ( 1.503 -0.853 0.446) 1.785 3.465 ( -9.908 0.211 20.866) 23.100 3.595 ( 7.727 1.698 -5.170) 9.451 3.833 ( 1.846 5.228 -7.693) 9.483 4.029 ( -2.544 -1.457 4.945) 5.749 4.144 ( -6.662 -1.939 8.684) 11.116 4.241 ( 1.733 -5.413 4.102) 7.009 4.608 ( -9.728 -2.066 -2.007) 10.146 4.703 ( 2.822 -1.782 -0.291) 3.350 5.028 ( -6.344 0.564 -1.768) 6.610 5.064 ( -3.458 3.390 -1.353) 5.029 5.158 ( 9.829 -1.027 2.719) 10.250 5.231 ( -3.861 2.561 3.689) 5.922 5.353 ( 2.713 -2.150 0.430) 3.489 5.596 ( -0.807 -0.114 3.596) 3.687 5.776 ( 1.006 0.554 2.340) 2.607 6.288 ( 6.997 -0.210 -3.548) 7.848 6.365 ( -8.468 3.278 -3.444) 9.711 6.443 ( -5.922 -1.636 -4.688) 7.728 6.691 ( -6.705 1.817 2.921) 7.536 7.039 ( 8.273 7.750 1.827) 11.483 7.680 ( -3.749 -3.077 -1.957) 5.229 7.883 ( 2.310 -2.629 -1.841) 3.954 8.253 ( 6.432 -2.407 -9.525) 11.743 8.348 ( -1.565 0.859 -13.347) 13.466 8.851 ( 10.328 2.343 -3.615) 11.190 9.144 ( -16.693 -0.576 9.869) 19.401 9.768 ( 1.937 -4.063 -6.228) 7.684 10.665 ( 0.059 2.461 8.522) 8.871 12.209 ( -10.429 0.102 -4.621) 11.408 12.403 ( 6.581 0.174 3.080) 7.268 12.584 ( 1.878 -0.120 -7.723) 7.949 12.846 ( 13.141 -1.484 -8.015) 15.464 12.941 ( -9.915 -1.767 4.218) 10.919 13.294 ( -4.449 -1.714 4.675) 6.677 13.606 ( -3.699 0.652 -3.188) 4.927 13.655 ( 0.091 0.398 -0.006) 0.408 13.772 ( -2.112 0.535 2.803) 3.550 14.069 ( 8.623 1.393 1.635) 8.886 14.966 ( -6.917 5.016 -5.362) 10.088 15.107 ( 3.729 0.264 2.402) 4.443 15.606 ( -3.259 -4.002 -5.997) 7.912 16.038 ( 1.372 1.735 5.085) 5.545 16.185 ( 3.351 1.456 6.846) 7.760 16.294 ( 0.045 -1.309 0.954) 1.621 18.458 ( 6.430 0.886 -4.974) 8.177 18.744 ( -4.880 -0.442 4.995) 6.998 24.129 ( -3.883 0.419 4.570) 6.012 24.209 ( 1.385 -0.419 9.999) 10.103 25.776 ( 1.365 -0.671 -4.771) 5.008 25.882 ( 1.611 -0.390 0.189) 1.668 26.661 ( 0.757 -0.352 1.172) 1.439 26.671 ( -2.205 0.546 -2.315) 3.243 26.870 ( -12.036 0.077 -17.094) 20.906 27.717 ( -1.337 0.705 11.481) 11.580 28.297 ( -0.379 5.117 2.987) 5.937 28.496 ( -1.532 4.916 0.147) 5.152 28.736 ( -0.466 -1.792 0.625) 1.955 28.805 ( -0.738 -1.325 0.082) 1.519 29.125 ( -5.104 -12.360 -2.467) 13.598 29.756 ( 21.333 4.364 -1.670) 21.838 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -13.741 13.204 2.083) 19.171 1.980 ( -7.932 14.398 2.431) 16.617 2.082 ( 17.105 -2.012 3.988) 17.679 2.155 ( 4.157 -3.288 10.072) 11.381 2.406 ( 2.552 -2.591 -2.161) 4.230 2.518 ( -1.595 -0.450 -5.214) 5.471 2.576 ( -0.626 0.086 -0.585) 0.861 2.825 ( -4.064 5.876 -1.285) 7.259 2.858 ( -1.924 -3.080 -7.072) 7.950 3.115 ( -0.757 -5.156 3.606) 6.337 3.181 ( -2.026 2.528 0.105) 3.241 3.265 ( 4.996 -0.024 0.552) 5.026 3.369 ( -20.353 -0.378 23.421) 31.031 3.562 ( -6.189 7.084 1.935) 9.604 3.793 ( 6.975 1.711 -8.415) 11.063 4.014 ( -6.266 -1.441 4.063) 7.606 4.101 ( -8.103 -3.917 10.540) 13.860 4.422 ( 2.148 -4.790 5.285) 7.449 4.500 ( -5.922 -3.957 -1.134) 7.211 4.660 ( -9.711 0.595 -2.797) 10.124 4.882 ( -3.266 -1.909 0.262) 3.792 4.973 ( -1.267 2.111 -2.132) 3.257 5.182 ( -0.962 0.904 1.216) 1.794 5.338 ( 6.061 1.990 2.988) 7.045 5.463 ( 5.349 -2.872 4.504) 7.560 5.580 ( -2.837 0.252 3.552) 4.553 5.831 ( -0.073 -6.977 -3.001) 7.596 6.088 ( -12.750 8.325 -0.156) 15.228 6.148 ( -13.133 1.810 -2.151) 13.431 6.552 ( 9.165 -2.642 -4.968) 10.755 6.667 ( 0.875 -4.598 -0.768) 4.743 7.081 ( 10.474 10.517 0.139) 14.844 7.728 ( 6.932 -0.708 -0.654) 6.998 7.957 ( 6.050 -0.481 -3.075) 6.804 8.247 ( -0.431 0.129 -13.746) 13.754 8.363 ( 10.430 -3.977 -8.841) 14.239 8.867 ( -8.767 0.896 6.013) 10.668 9.067 ( 6.123 0.474 -3.109) 6.883 9.852 ( 2.821 -8.172 -2.843) 9.101 10.671 ( -3.458 2.051 10.209) 10.972 12.034 ( -8.850 0.010 -3.832) 9.644 12.504 ( 5.605 1.131 -1.186) 5.840 12.577 ( 3.198 -0.609 -5.465) 6.361 12.859 ( -9.952 -4.108 7.056) 12.872 13.006 ( 9.716 -3.389 -6.437) 12.138 13.301 ( -3.693 -3.056 7.611) 8.994 13.532 ( -3.880 -1.583 -4.267) 5.981 13.603 ( -4.738 -0.544 -2.869) 5.566 13.780 ( 2.799 3.867 3.920) 6.177 14.163 ( 5.821 2.854 2.286) 6.874 14.783 ( -5.370 2.984 -6.002) 8.589 15.185 ( 4.865 0.807 1.637) 5.196 15.568 ( -3.296 -4.031 -5.510) 7.581 16.046 ( -0.905 1.826 4.378) 4.829 16.241 ( 1.896 1.827 4.644) 5.339 16.306 ( -0.654 -0.035 2.371) 2.460 18.517 ( 7.003 1.487 -4.709) 8.569 18.704 ( -4.730 -0.492 4.135) 6.302 24.065 ( -7.122 0.736 4.973) 8.717 24.264 ( -4.058 -2.250 10.937) 11.881 25.798 ( 3.128 -1.515 -4.322) 5.546 25.930 ( 3.747 0.166 1.800) 4.160 26.581 ( -9.923 -1.813 -14.873) 17.971 26.636 ( -2.273 2.117 -3.778) 4.891 26.688 ( 0.082 -0.617 0.352) 0.715 27.791 ( 2.467 -0.973 9.758) 10.112 28.248 ( -2.231 2.604 1.724) 3.838 28.413 ( -4.360 1.857 -0.118) 4.740 28.745 ( -0.427 -0.671 0.410) 0.894 28.810 ( -1.340 -1.604 0.718) 2.210 29.136 ( -6.168 -5.994 -0.798) 8.638 30.006 ( 23.034 6.803 -3.512) 24.273 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -17.238 15.175 5.229) 23.554 1.667 ( -12.562 17.529 7.032) 22.683 2.244 ( -1.280 1.543 5.938) 6.267 2.341 ( 9.395 -1.717 -1.863) 9.731 2.392 ( -0.884 0.374 0.930) 1.337 2.500 ( 0.102 -1.391 -2.350) 2.733 2.570 ( -9.266 16.986 2.434) 19.501 2.617 ( 2.604 1.055 -0.887) 2.946 2.830 ( 0.133 -3.273 -7.109) 7.827 3.071 ( -19.818 1.696 10.757) 22.613 3.111 ( -13.564 1.111 10.364) 17.106 3.234 ( 1.590 -6.125 2.947) 6.981 3.295 ( -2.566 0.676 2.920) 3.946 3.377 ( -6.811 5.121 0.211) 8.525 3.828 ( 3.789 0.887 -4.600) 6.025 3.973 ( -6.479 -1.960 8.424) 10.806 4.046 ( -11.000 -0.319 5.688) 12.388 4.363 ( -4.862 -4.664 -2.230) 7.097 4.495 ( -4.199 -0.132 0.070) 4.202 4.653 ( 3.260 -3.172 5.457) 7.104 4.877 ( -3.772 -2.267 -1.468) 4.639 4.980 ( 4.899 -0.222 -0.220) 4.909 5.183 ( 1.201 -0.047 -0.781) 1.434 5.368 ( 0.063 1.550 3.175) 3.534 5.522 ( -2.278 0.743 4.897) 5.452 5.607 ( 1.868 -0.623 3.670) 4.165 5.842 ( -7.960 -4.158 -2.697) 9.377 5.932 ( 0.780 -1.634 -2.722) 3.269 5.948 ( -8.362 0.848 1.523) 8.541 6.588 ( 0.418 -0.693 -8.409) 8.448 6.804 ( 8.467 -3.479 -2.432) 9.472 7.087 ( 7.640 10.375 -1.799) 13.009 7.869 ( 11.150 0.705 0.647) 11.191 8.017 ( 5.111 1.706 -2.583) 5.975 8.189 ( 2.042 -1.320 -12.219) 12.458 8.530 ( 10.234 -4.640 -7.677) 13.609 8.738 ( -12.158 -1.378 8.149) 14.701 9.195 ( 15.545 1.250 -9.151) 18.082 9.988 ( 0.995 -9.928 1.179) 10.047 10.616 ( -8.561 1.412 8.185) 11.928 11.922 ( -4.398 -0.556 -1.602) 4.714 12.529 ( 3.272 0.588 -2.383) 4.090 12.638 ( 5.401 -0.731 -4.047) 6.788 12.826 ( -9.464 -6.832 9.134) 14.821 13.126 ( 2.467 -6.249 -3.493) 7.572 13.302 ( -8.149 -2.301 8.116) 11.729 13.471 ( -5.684 -3.351 -2.403) 7.022 13.572 ( 5.827 0.540 -5.279) 7.882 13.781 ( 0.929 4.143 2.213) 4.788 14.198 ( 2.638 3.634 0.948) 4.589 14.688 ( -0.942 0.766 -2.951) 3.191 15.232 ( 3.284 2.791 0.130) 4.311 15.556 ( -1.568 -5.327 -3.459) 6.542 16.026 ( -1.642 1.995 3.471) 4.327 16.243 ( -1.939 0.676 1.820) 2.744 16.307 ( 0.272 2.377 2.774) 3.663 18.568 ( 3.989 1.764 -1.429) 4.590 18.673 ( -0.991 -0.423 0.079) 1.080 23.970 ( -7.780 0.906 4.884) 9.231 24.268 ( -10.209 -5.646 10.893) 15.961 25.846 ( 3.421 -1.993 -3.770) 5.467 26.003 ( 5.463 1.334 2.141) 6.018 26.357 ( -9.068 -0.600 -11.618) 14.750 26.601 ( 0.395 0.942 -1.411) 1.742 26.701 ( -0.053 -0.652 0.743) 0.990 27.914 ( 4.389 -2.149 8.151) 9.503 28.185 ( -3.966 1.181 -0.777) 4.210 28.322 ( -7.139 -0.531 0.911) 7.216 28.749 ( -0.140 -0.477 0.559) 0.748 28.811 ( -1.111 -1.182 0.671) 1.756 29.083 ( -5.752 -0.659 0.518) 5.813 30.230 ( 23.309 8.510 -8.382) 26.191 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -14.902 15.610 12.584) 24.982 1.298 ( -14.093 20.325 13.671) 28.260 1.971 ( -15.898 30.894 12.503) 36.926 2.260 ( -4.966 1.580 -5.871) 7.850 2.356 ( -2.504 2.254 4.095) 5.303 2.449 ( -9.022 2.046 6.983) 11.591 2.527 ( 3.918 -0.845 -4.560) 6.071 2.597 ( -3.150 -0.159 0.848) 3.266 2.848 ( -8.595 -1.767 9.098) 12.640 2.910 ( 8.176 -2.165 0.151) 8.459 3.008 ( -4.864 0.867 -1.299) 5.109 3.213 ( -5.750 3.749 -2.381) 7.266 3.266 ( -2.687 -1.969 1.836) 3.804 3.385 ( 3.217 -5.149 2.885) 6.722 3.829 ( -17.045 -1.109 9.501) 19.546 3.861 ( 2.160 0.177 1.514) 2.644 3.995 ( -0.377 1.155 -0.707) 1.406 4.383 ( 0.965 -1.101 0.295) 1.493 4.476 ( -2.000 -2.461 5.451) 6.306 4.691 ( -6.162 0.494 1.782) 6.433 4.854 ( 2.348 -2.205 -1.435) 3.526 5.082 ( 6.359 -2.689 -1.526) 7.070 5.202 ( 1.350 -0.453 -0.265) 1.448 5.368 ( 0.507 1.487 3.860) 4.168 5.526 ( -1.729 -1.038 4.817) 5.222 5.601 ( -5.905 -0.271 3.540) 6.890 5.744 ( -7.017 -2.685 2.068) 7.792 5.919 ( 1.720 -0.898 0.591) 2.028 6.013 ( 2.215 -5.609 -1.488) 6.211 6.542 ( 5.516 2.584 -11.788) 13.268 6.893 ( 4.913 3.619 -3.418) 6.994 7.075 ( 6.533 5.173 -7.046) 10.913 8.005 ( 7.461 2.564 1.877) 8.110 8.047 ( 3.672 1.329 -2.446) 4.607 8.202 ( 4.603 -1.359 -6.061) 7.731 8.595 ( -3.798 -1.031 0.317) 3.948 8.718 ( 0.430 -7.445 -0.804) 7.501 9.369 ( 16.517 0.498 -11.255) 19.993 10.092 ( -4.967 -7.988 5.046) 10.675 10.494 ( -9.362 0.300 3.280) 9.924 11.894 ( -0.768 -0.733 1.612) 1.930 12.593 ( 5.008 -1.443 0.831) 5.278 12.687 ( 2.312 -1.568 -3.983) 4.865 12.828 ( -9.929 -8.579 8.851) 15.828 13.179 ( -6.168 -8.919 0.531) 10.857 13.216 ( -8.323 -0.699 3.820) 9.185 13.448 ( -0.658 -2.682 -0.201) 2.769 13.668 ( 7.759 0.051 -0.249) 7.763 13.741 ( -0.996 3.213 -0.192) 3.370 14.169 ( -0.536 3.432 -1.470) 3.772 14.694 ( 2.162 -0.127 1.562) 2.670 15.230 ( 2.188 3.021 -0.877) 3.831 15.606 ( 0.739 -5.841 -1.124) 5.994 15.995 ( -1.231 2.343 2.072) 3.362 16.200 ( -3.811 0.750 0.439) 3.909 16.268 ( -2.151 3.316 -1.210) 4.134 18.557 ( -2.179 1.510 0.663) 2.733 18.701 ( 5.245 0.246 -3.715) 6.432 23.884 ( -5.748 0.883 4.626) 7.431 24.205 ( -16.977 -8.025 8.030) 20.423 25.897 ( 2.789 -2.070 -3.180) 4.710 26.046 ( 1.208 2.072 -4.194) 4.831 26.294 ( 5.809 -1.330 10.599) 12.160 26.602 ( 1.039 0.229 -0.097) 1.068 26.713 ( -0.032 -0.818 1.064) 1.343 28.046 ( 1.939 -3.299 5.374) 6.597 28.086 ( -5.903 0.284 -4.007) 7.140 28.240 ( -6.427 -1.545 4.356) 7.917 28.761 ( -0.052 -0.914 0.888) 1.275 28.817 ( 0.222 -0.667 0.472) 0.846 28.999 ( -3.896 3.018 0.965) 5.022 30.363 ( 18.669 11.239 -20.392) 29.844 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.519 16.418 16.910) 23.575 0.990 ( -3.536 23.135 17.851) 29.435 1.508 ( -7.225 30.236 31.253) 44.081 2.136 ( -3.163 0.783 -4.496) 5.553 2.319 ( -2.683 1.225 1.502) 3.310 2.372 ( -2.709 2.063 13.911) 14.322 2.488 ( 1.842 1.243 -10.996) 11.219 2.631 ( 0.424 -2.599 1.188) 2.889 2.833 ( -3.759 -1.340 2.900) 4.933 2.945 ( -0.591 0.160 -2.483) 2.558 3.046 ( -2.892 5.591 -0.636) 6.327 3.153 ( 10.692 -4.831 3.449) 12.230 3.277 ( 0.017 -1.760 1.096) 2.073 3.471 ( 1.383 -3.471 -3.953) 5.439 3.674 ( -11.671 -0.720 7.963) 14.147 3.893 ( -2.060 -0.258 3.943) 4.456 3.963 ( 1.340 2.644 0.562) 3.017 4.402 ( 0.667 0.874 1.484) 1.847 4.506 ( -4.035 0.999 2.615) 4.911 4.561 ( -3.138 1.070 1.203) 3.527 4.963 ( 4.273 -4.946 -2.117) 6.870 5.193 ( 4.203 -3.618 -1.199) 5.674 5.250 ( 1.435 -4.586 4.463) 6.558 5.407 ( 3.766 1.368 5.089) 6.477 5.491 ( -8.629 -1.879 1.514) 8.960 5.545 ( -5.991 -3.078 5.913) 8.962 5.753 ( 1.303 -1.494 5.158) 5.526 5.918 ( -6.711 -1.792 -2.185) 7.282 6.119 ( 7.319 -5.038 3.662) 9.610 6.636 ( 18.189 2.280 -9.849) 20.810 6.841 ( 0.231 8.280 -3.429) 8.965 7.017 ( 1.157 5.833 -14.365) 15.548 8.056 ( 3.123 1.795 -0.726) 3.675 8.105 ( 9.134 0.944 -0.415) 9.192 8.257 ( 2.321 -0.884 -0.907) 2.644 8.563 ( -2.274 -0.921 2.086) 3.220 8.794 ( -3.799 -10.679 -5.021) 12.397 9.521 ( 12.932 -0.024 -12.458) 17.957 10.048 ( -13.028 -2.674 7.982) 15.511 10.437 ( -0.772 -2.339 0.510) 2.516 11.927 ( 1.944 -0.447 4.286) 4.727 12.645 ( -11.526 -2.043 4.926) 12.700 12.682 ( 2.372 -3.773 -5.580) 7.141 12.859 ( -1.505 -4.216 2.907) 5.338 13.132 ( -8.308 -4.897 6.347) 11.545 13.219 ( 0.014 -6.482 -0.280) 6.488 13.505 ( 1.724 -3.469 2.539) 4.632 13.679 ( -1.946 2.543 -1.464) 3.521 13.755 ( 1.108 0.171 5.532) 5.645 14.096 ( -2.399 2.663 -3.113) 4.748 14.762 ( 2.742 -1.514 5.856) 6.641 15.244 ( 3.228 -0.036 -0.849) 3.338 15.685 ( 1.624 -4.129 0.526) 4.468 15.953 ( -2.178 2.230 -1.387) 3.412 16.046 ( -7.416 8.493 -5.255) 12.439 16.208 ( -0.811 1.119 0.821) 1.607 18.479 ( -4.204 3.098 -2.047) 5.609 18.755 ( 4.510 0.448 -2.263) 5.066 23.843 ( -1.783 0.687 4.476) 4.866 24.057 ( -13.806 -2.612 5.544) 15.105 25.933 ( 1.064 -1.649 -2.887) 3.491 25.987 ( -1.565 0.766 -4.498) 4.824 26.613 ( 0.496 -0.301 1.118) 1.260 26.700 ( 5.618 -4.370 4.726) 8.544 26.832 ( 23.379 -18.951 27.735) 40.926 27.921 ( -9.933 -0.721 -8.767) 13.268 28.078 ( -8.130 -2.947 5.721) 10.369 28.278 ( 3.794 -1.985 6.714) 7.963 28.769 ( -0.933 -0.638 0.217) 1.151 28.838 ( 0.404 0.417 1.622) 1.723 28.936 ( 1.609 2.964 0.238) 3.381 30.144 ( -1.128 27.535 -37.083) 46.202 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 22.360 0.000 9.545) 24.311 1.864 ( 8.998 0.000 18.102) 20.215 2.184 ( -3.932 -0.000 2.190) 4.501 2.267 ( 0.505 0.000 -10.757) 10.768 2.448 ( -1.460 -0.000 -4.513) 4.743 2.480 ( 4.457 0.000 -5.623) 7.176 2.638 ( -3.104 -0.000 -1.281) 3.358 2.849 ( -7.535 -0.000 2.219) 7.855 2.869 ( 6.210 0.000 5.599) 8.361 3.031 ( 11.029 0.000 2.375) 11.282 3.043 ( -5.971 -0.000 3.523) 6.933 3.179 ( 4.567 0.000 -1.841) 4.924 3.464 ( -9.721 -0.000 21.564) 23.653 3.610 ( 8.811 0.000 -6.821) 11.143 3.914 ( 7.646 0.000 -8.024) 11.083 4.001 ( -5.901 -0.000 5.191) 7.859 4.135 ( -12.293 -0.000 3.724) 12.845 4.159 ( 3.588 0.000 7.584) 8.390 4.578 ( -10.355 -0.000 -2.747) 10.713 4.681 ( 3.946 0.000 -1.501) 4.222 5.029 ( -3.041 -0.000 0.024) 3.041 5.125 ( -10.475 -0.000 -1.615) 10.599 5.129 ( 14.443 0.000 2.178) 14.606 5.264 ( -2.656 -0.000 4.392) 5.133 5.330 ( 0.451 0.000 -2.281) 2.325 5.586 ( 0.502 0.000 4.329) 4.358 5.809 ( -7.416 -0.000 6.273) 9.713 6.281 ( 12.753 0.000 -4.105) 13.397 6.361 ( 0.775 0.000 -7.270) 7.311 6.419 ( -13.392 -0.000 -5.291) 14.399 6.768 ( -13.093 -0.000 5.244) 14.105 7.138 ( 11.976 0.000 4.081) 12.652 7.630 ( -3.690 -0.000 -2.599) 4.514 7.835 ( 2.400 0.000 -2.042) 3.151 8.227 ( 5.625 0.000 -8.645) 10.314 8.357 ( -2.249 -0.000 -13.474) 13.660 8.885 ( 12.824 0.000 -4.807) 13.695 9.131 ( -19.948 -0.000 11.499) 23.025 9.722 ( 0.139 0.000 -6.616) 6.617 10.695 ( -0.326 -0.000 7.788) 7.795 12.213 ( -10.625 -0.000 -4.926) 11.711 12.404 ( 7.097 0.000 3.228) 7.797 12.583 ( 2.407 0.000 -7.302) 7.689 12.829 ( 12.825 0.000 -8.954) 15.642 12.918 ( -10.749 -0.000 2.610) 11.062 13.276 ( -4.845 -0.000 4.405) 6.548 13.616 ( -3.606 -0.000 -4.663) 5.894 13.657 ( -4.122 -0.000 -0.069) 4.122 13.781 ( 1.504 0.000 4.916) 5.141 14.085 ( 9.065 0.000 2.459) 9.393 15.064 ( -11.451 -0.000 -3.410) 11.948 15.085 ( 6.022 0.000 0.057) 6.023 15.552 ( -1.104 -0.000 -7.216) 7.300 16.068 ( 1.041 0.000 6.954) 7.032 16.205 ( 3.996 0.000 7.073) 8.124 16.268 ( -0.175 -0.000 0.350) 0.391 18.472 ( 7.269 0.000 -5.212) 8.945 18.738 ( -5.150 -0.000 5.385) 7.451 24.134 ( -3.740 -0.000 4.659) 5.974 24.205 ( 1.077 0.000 9.802) 9.861 25.768 ( 0.823 0.000 -5.047) 5.113 25.876 ( 1.933 0.000 0.184) 1.942 26.657 ( 1.109 0.000 1.364) 1.757 26.674 ( -3.304 -0.000 -3.367) 4.717 26.875 ( -12.190 -0.000 -15.404) 19.644 27.724 ( -2.386 -0.000 9.117) 9.424 28.370 ( -6.658 -0.000 8.205) 10.566 28.630 ( -4.104 -0.000 -3.934) 5.685 28.714 ( 1.875 0.000 -1.720) 2.545 28.787 ( -0.308 -0.000 -0.072) 0.317 28.892 ( 2.802 0.000 0.965) 2.963 29.808 ( 21.809 0.000 -1.706) 21.876 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -5.762 10.648 2.957) 12.463 2.081 ( 17.536 0.787 6.734) 18.801 2.093 ( 5.300 -0.659 9.048) 10.507 2.215 ( -2.786 0.843 -2.902) 4.110 2.356 ( -3.281 0.117 -1.444) 3.586 2.519 ( -0.484 1.491 -4.284) 4.562 2.568 ( -1.278 -1.349 -1.751) 2.553 2.783 ( -1.538 -2.529 -6.494) 7.137 2.889 ( -1.105 1.217 -0.765) 1.813 3.002 ( -5.041 -3.286 7.667) 9.746 3.199 ( -1.221 -0.907 -3.043) 3.402 3.259 ( 12.341 -0.162 2.550) 12.602 3.370 ( -21.586 0.089 24.111) 32.362 3.677 ( 4.602 1.615 -4.346) 6.533 3.889 ( -1.472 5.558 -1.811) 6.028 3.974 ( -7.539 -1.711 6.628) 10.184 4.039 ( -0.134 -1.066 1.319) 1.701 4.302 ( 5.009 -4.180 8.244) 10.514 4.437 ( -9.584 -1.419 0.149) 9.690 4.683 ( -2.184 1.061 -5.544) 6.053 4.831 ( -14.135 -1.827 -0.758) 14.272 5.028 ( -1.150 1.827 -4.585) 5.068 5.184 ( -2.257 -0.181 2.818) 3.615 5.373 ( 3.294 0.041 3.309) 4.669 5.405 ( 10.388 -0.991 3.058) 10.874 5.593 ( -2.493 0.498 2.623) 3.653 5.731 ( -6.824 -1.820 3.469) 7.868 6.165 ( -15.462 1.185 -2.871) 15.771 6.231 ( -8.285 1.935 -7.136) 11.105 6.491 ( 12.618 -2.184 -5.111) 13.788 6.625 ( -6.172 0.709 5.125) 8.054 7.291 ( 10.404 6.010 2.368) 12.246 7.696 ( 9.567 -1.686 0.414) 9.723 7.904 ( 6.134 -2.495 -4.223) 7.855 8.246 ( -2.010 -0.095 -13.791) 13.937 8.302 ( 10.226 -1.117 -7.847) 12.938 8.891 ( -18.248 0.845 11.088) 21.370 9.062 ( 13.513 -0.446 -7.204) 15.319 9.714 ( 1.045 -3.224 -4.521) 5.650 10.707 ( -4.175 0.929 9.248) 10.189 12.039 ( -8.983 0.201 -3.452) 9.625 12.516 ( 6.668 0.065 0.386) 6.679 12.586 ( 3.692 0.717 -6.947) 7.900 12.786 ( -10.380 -1.474 4.489) 11.405 12.950 ( 8.350 -1.592 -7.992) 11.668 13.253 ( -3.573 -1.018 7.607) 8.465 13.509 ( -6.289 -0.374 -3.605) 7.259 13.597 ( -2.419 -0.234 -3.862) 4.563 13.847 ( 2.265 1.578 6.909) 7.440 14.207 ( 5.975 0.909 2.759) 6.643 14.861 ( -8.741 2.664 -5.264) 10.545 15.178 ( 5.624 -1.023 -1.026) 5.808 15.510 ( -0.463 -0.992 -6.229) 6.325 16.087 ( -2.050 1.360 6.381) 6.838 16.259 ( -1.265 -0.204 1.549) 2.011 16.302 ( 3.271 0.003 4.899) 5.891 18.552 ( 8.408 1.054 -5.852) 10.298 18.691 ( -5.508 -0.438 5.156) 7.557 24.080 ( -6.944 0.380 5.364) 8.783 24.236 ( -4.645 -0.427 9.520) 10.602 25.772 ( 2.849 -0.626 -4.522) 5.382 25.931 ( 4.240 -0.034 2.339) 4.842 26.545 ( -9.734 -0.973 -12.947) 16.227 26.674 ( -2.201 0.871 -2.551) 3.481 26.682 ( -1.033 0.018 -1.293) 1.656 27.771 ( 1.973 -0.573 7.315) 7.598 28.304 ( -6.699 1.516 7.401) 10.097 28.497 ( -5.642 4.008 -4.047) 8.017 28.725 ( 0.460 -0.267 0.223) 0.577 28.792 ( 0.341 -0.557 -1.048) 1.235 28.975 ( 0.159 -6.004 1.462) 6.181 30.105 ( 21.587 1.978 -3.696) 21.990 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -12.573 15.573 1.398) 20.064 2.025 ( -8.463 11.961 3.065) 14.970 2.228 ( 1.118 -2.052 4.858) 5.391 2.321 ( 8.032 -0.640 5.510) 9.761 2.386 ( -0.752 -0.626 -1.214) 1.560 2.453 ( 2.996 -1.770 0.554) 3.524 2.619 ( 5.118 0.371 -0.994) 5.227 2.750 ( -0.547 -3.070 -10.679) 11.125 2.823 ( -3.288 3.626 -1.443) 5.103 3.050 ( -7.145 -4.450 8.364) 11.867 3.099 ( -27.863 -1.425 21.091) 34.974 3.146 ( -5.187 -3.575 1.020) 6.382 3.379 ( 5.201 6.480 1.311) 8.412 3.595 ( -3.766 11.787 3.271) 12.799 3.848 ( 2.816 0.658 -5.296) 6.034 3.933 ( -4.097 -1.394 7.108) 8.322 4.049 ( -4.659 1.818 5.445) 7.393 4.259 ( -9.670 -3.047 -1.391) 10.234 4.468 ( 0.293 -3.346 1.531) 3.691 4.597 ( 0.990 -0.483 1.034) 1.510 4.778 ( -3.098 -5.659 -2.333) 6.861 4.992 ( 1.607 0.709 -2.159) 2.783 5.174 ( -0.325 0.083 -0.563) 0.655 5.406 ( -0.848 0.666 4.250) 4.385 5.536 ( -1.546 1.005 3.072) 3.583 5.584 ( 5.341 -1.320 2.067) 5.878 5.688 ( -5.685 -5.801 -2.506) 8.500 5.935 ( -11.376 0.951 0.493) 11.427 6.039 ( -6.899 3.989 -2.126) 8.248 6.581 ( 0.879 0.225 -2.503) 2.663 6.692 ( 8.830 -4.666 -1.190) 10.058 7.336 ( 7.101 9.373 -0.759) 11.784 7.879 ( 11.535 0.193 1.825) 11.680 8.002 ( 5.492 -2.970 -3.892) 7.358 8.152 ( -0.926 -1.345 -12.381) 12.488 8.447 ( 10.837 -2.086 -6.203) 12.659 8.696 ( -16.578 -1.709 10.824) 19.873 9.231 ( 16.912 1.618 -10.746) 20.102 9.780 ( 1.700 -7.225 -1.262) 7.529 10.645 ( -9.572 1.083 7.991) 12.517 11.918 ( -4.857 0.105 -1.264) 5.020 12.571 ( 3.747 2.491 -3.364) 5.618 12.622 ( 5.450 -0.543 -3.770) 6.649 12.706 ( -7.819 -3.118 6.352) 10.545 13.020 ( 2.314 -3.572 -5.150) 6.681 13.254 ( -6.520 -1.596 9.555) 11.677 13.419 ( -4.841 -1.333 -1.530) 5.249 13.576 ( 4.991 -0.353 -8.034) 9.464 13.865 ( -1.378 2.768 5.211) 6.059 14.266 ( 2.760 2.040 0.629) 3.489 14.718 ( -3.130 1.538 -3.370) 4.849 15.258 ( 4.221 -0.808 -0.728) 4.359 15.487 ( 0.496 -0.400 -4.094) 4.143 16.063 ( -2.920 1.312 4.584) 5.591 16.240 ( -3.051 -0.597 1.916) 3.652 16.356 ( 1.930 1.567 2.547) 3.560 18.610 ( 1.539 1.600 0.143) 2.225 18.662 ( 1.770 -0.458 -1.775) 2.548 23.992 ( -7.691 0.819 5.343) 9.400 24.195 ( -8.835 -1.392 8.200) 12.134 25.808 ( 3.602 -1.177 -3.925) 5.456 26.023 ( 5.814 0.411 3.659) 6.882 26.337 ( -8.865 -0.956 -10.352) 13.662 26.622 ( -0.558 0.736 -2.033) 2.234 26.692 ( 0.168 -0.113 0.569) 0.604 27.872 ( 4.396 -1.494 5.906) 7.513 28.223 ( -6.248 1.755 4.012) 7.630 28.344 ( -7.165 1.953 -3.190) 8.083 28.734 ( -0.142 -0.535 0.676) 0.874 28.797 ( 0.520 -0.248 -0.963) 1.123 29.032 ( -1.482 -3.222 2.910) 4.587 30.349 ( 18.898 2.685 -7.171) 20.390 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.856 17.752 8.635) 22.065 1.741 ( -10.022 17.542 9.264) 22.225 2.250 ( -1.539 0.340 0.264) 1.598 2.316 ( -4.946 0.681 -0.258) 4.999 2.440 ( -0.735 -2.948 4.679) 5.579 2.509 ( -2.228 3.574 -0.555) 4.247 2.604 ( -5.508 1.609 -3.415) 6.677 2.703 ( 0.061 7.711 0.838) 7.756 2.787 ( 1.444 -3.611 6.731) 7.774 2.834 ( -6.845 -0.821 3.588) 7.772 3.028 ( -6.071 -3.143 -0.140) 6.837 3.231 ( -0.093 2.247 3.565) 4.215 3.266 ( -6.493 3.010 15.595) 17.159 3.432 ( 0.274 11.754 -1.867) 11.904 3.845 ( -4.073 1.050 2.098) 4.700 3.880 ( -5.607 2.027 3.836) 7.089 3.988 ( 0.077 -1.897 -1.291) 2.296 4.280 ( 1.049 -6.092 2.896) 6.827 4.465 ( -0.550 0.403 0.393) 0.787 4.657 ( -3.404 -2.851 3.391) 5.586 4.795 ( 1.418 -3.527 -2.279) 4.432 5.031 ( 4.271 -1.400 -2.422) 5.105 5.166 ( -0.321 -1.266 -1.989) 2.379 5.395 ( -3.113 0.202 5.276) 6.129 5.510 ( -2.719 -0.470 2.258) 3.565 5.581 ( -5.757 -0.872 -2.872) 6.492 5.715 ( 0.920 -0.748 2.113) 2.423 5.873 ( -0.670 -4.230 2.714) 5.070 5.936 ( -1.400 0.811 -1.518) 2.219 6.573 ( 3.084 0.727 -5.954) 6.745 6.861 ( 6.867 -4.459 -2.311) 8.507 7.281 ( 3.654 10.685 -4.043) 11.994 8.020 ( 5.427 -0.245 -1.303) 5.586 8.065 ( 4.095 -1.191 -2.902) 5.158 8.153 ( 3.363 -2.479 -2.037) 4.648 8.554 ( -0.117 -1.868 -1.656) 2.499 8.583 ( -5.495 -3.915 3.687) 7.688 9.397 ( 16.955 1.950 -12.209) 20.984 9.897 ( 0.245 -8.343 2.304) 8.659 10.498 ( -12.800 0.237 3.965) 13.402 11.881 ( -0.720 -0.317 1.736) 1.906 12.579 ( -0.425 -0.028 1.644) 1.699 12.656 ( 1.205 0.067 1.238) 1.729 12.720 ( 2.487 -2.012 -0.882) 3.318 13.046 ( -1.924 -4.186 -2.424) 5.206 13.192 ( -9.545 -1.296 6.459) 11.598 13.389 ( -1.285 -2.092 0.559) 2.518 13.661 ( 9.372 -1.230 -5.709) 11.042 13.810 ( -3.690 2.469 1.217) 4.604 14.245 ( -0.672 2.835 -2.874) 4.093 14.694 ( 1.515 0.150 1.088) 1.871 15.297 ( 1.624 1.818 -0.496) 2.488 15.504 ( 2.717 -1.882 -0.866) 3.417 16.029 ( -2.535 0.789 2.027) 3.340 16.207 ( -3.479 -0.006 2.362) 4.205 16.343 ( -1.045 2.816 -0.984) 3.161 18.572 ( -4.391 0.100 2.208) 4.916 18.720 ( 7.261 1.153 -4.992) 8.886 23.908 ( -5.765 1.069 5.021) 7.719 24.112 ( -9.887 -1.525 6.497) 11.929 25.854 ( 3.091 -1.522 -3.249) 4.735 26.080 ( -0.303 0.881 -4.779) 4.869 26.268 ( 3.776 -1.127 7.278) 8.276 26.609 ( 0.568 0.311 -0.864) 1.080 26.697 ( -0.229 -0.415 0.721) 0.863 27.979 ( 1.458 -2.563 2.331) 3.758 28.117 ( -4.950 2.244 -1.807) 5.728 28.227 ( -5.245 0.042 1.790) 5.543 28.742 ( -0.184 -0.610 0.804) 1.026 28.805 ( 0.802 -0.375 -0.546) 1.040 29.041 ( -1.951 0.531 4.072) 4.546 30.500 ( 12.526 2.673 -13.175) 18.375 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 4.181 19.214 13.909) 24.085 1.475 ( -4.758 19.677 15.731) 25.638 2.160 ( -6.749 7.301 1.059) 9.999 2.194 ( 0.450 9.310 2.311) 9.603 2.356 ( -4.664 2.077 2.126) 5.530 2.469 ( -1.141 3.566 0.101) 3.746 2.557 ( 3.362 6.670 -2.212) 7.790 2.592 ( -1.310 4.300 6.047) 7.535 2.790 ( -4.476 -1.471 3.248) 5.723 2.975 ( -0.393 2.835 -1.809) 3.386 3.013 ( 9.948 -6.996 4.524) 12.976 3.130 ( -5.158 -3.014 3.937) 7.154 3.285 ( 0.978 9.330 -0.581) 9.399 3.405 ( 0.496 -4.101 8.902) 9.814 3.701 ( -7.016 3.399 2.672) 8.241 3.888 ( -1.366 -0.158 4.225) 4.443 3.998 ( 0.980 -0.294 -2.159) 2.390 4.395 ( 1.849 -3.368 5.706) 6.879 4.470 ( 0.300 -1.057 1.692) 2.017 4.585 ( -6.479 0.192 -1.606) 6.678 4.881 ( 4.900 -2.623 0.642) 5.595 5.103 ( 3.561 -3.041 -4.768) 6.683 5.176 ( -0.590 -2.835 0.298) 2.911 5.378 ( -6.234 -3.578 6.007) 9.367 5.486 ( -4.367 -1.019 3.144) 5.477 5.497 ( -0.719 1.950 -4.122) 4.616 5.747 ( 1.754 0.576 5.309) 5.621 5.868 ( -4.338 -1.742 -1.179) 4.821 6.012 ( 3.721 -4.996 2.918) 6.879 6.631 ( 9.909 -1.555 -7.583) 12.574 6.945 ( 2.305 -1.683 -4.647) 5.454 7.159 ( 0.180 9.710 -7.657) 12.367 8.061 ( 3.810 -1.720 -5.200) 6.671 8.148 ( 5.076 1.554 1.468) 5.508 8.215 ( -0.357 -2.211 5.562) 5.996 8.524 ( -4.158 -2.308 3.815) 6.097 8.606 ( -1.274 -5.167 -6.514) 8.411 9.534 ( 13.114 1.344 -12.459) 18.139 9.960 ( -7.280 -4.731 6.537) 10.868 10.368 ( -5.790 -3.213 -0.227) 6.625 11.914 ( 2.050 -0.552 4.232) 4.735 12.564 ( -5.204 -2.281 3.052) 6.450 12.674 ( 1.147 1.773 0.033) 2.112 12.809 ( 6.490 -1.111 0.908) 6.647 13.029 ( -6.245 -3.985 0.210) 7.411 13.129 ( -2.559 -2.715 2.060) 4.262 13.432 ( 1.765 -2.792 2.273) 4.009 13.727 ( -3.519 1.597 -1.079) 4.012 13.773 ( 5.230 -0.198 -1.099) 5.348 14.162 ( -2.507 2.648 -5.107) 6.275 14.751 ( 3.366 -0.234 4.030) 5.256 15.265 ( -1.087 2.202 -1.060) 2.675 15.599 ( 5.057 -2.654 2.386) 6.189 15.987 ( -2.367 0.685 -1.819) 3.062 16.161 ( -3.197 2.227 0.952) 4.011 16.258 ( -2.765 3.206 -1.978) 4.673 18.512 ( -4.104 0.337 -0.737) 4.183 18.775 ( 4.969 1.148 -3.072) 5.954 23.864 ( -1.985 1.066 4.836) 5.335 24.032 ( -5.809 -0.037 5.123) 7.746 25.893 ( 1.725 -1.649 -2.557) 3.497 26.000 ( -3.273 0.275 -5.699) 6.578 26.528 ( 14.576 -4.459 17.961) 23.557 26.618 ( 1.159 -0.241 1.184) 1.674 26.710 ( 0.263 -1.327 2.398) 2.753 27.893 ( -10.296 -1.493 -8.795) 13.623 28.072 ( -2.131 1.083 2.444) 3.419 28.241 ( 3.695 -0.998 4.174) 5.663 28.751 ( -0.403 -0.695 0.691) 1.059 28.831 ( 1.958 -0.805 0.597) 2.199 29.017 ( -1.020 3.190 3.913) 5.151 30.461 ( 0.388 5.754 -21.545) 22.303 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 9.655 20.052 8.201) 23.718 1.357 ( 5.736 17.342 18.826) 26.231 2.050 ( 12.558 22.809 16.169) 30.649 2.161 ( 5.673 3.561 -2.281) 7.076 2.295 ( -3.463 0.702 2.123) 4.122 2.444 ( 1.741 0.287 -7.781) 7.979 2.538 ( 5.691 4.942 11.496) 13.746 2.575 ( -5.743 -2.283 0.190) 6.183 2.771 ( -1.056 -1.813 2.430) 3.210 2.930 ( -0.212 1.636 -3.022) 3.443 3.091 ( 2.139 5.514 -2.464) 6.407 3.233 ( -1.697 -3.104 5.862) 6.847 3.327 ( 11.002 -3.329 4.816) 12.463 3.475 ( 2.249 -1.661 0.840) 2.920 3.634 ( 0.637 1.563 2.533) 3.044 3.873 ( -0.957 0.524 0.231) 1.116 4.012 ( 0.192 0.098 3.563) 3.570 4.407 ( -2.115 1.537 -0.755) 2.721 4.499 ( 0.108 2.809 0.103) 2.813 4.553 ( 1.239 -4.143 5.484) 6.984 4.980 ( 3.318 0.476 -0.906) 3.472 5.140 ( -0.603 -6.453 -1.422) 6.635 5.236 ( 0.704 -4.843 2.679) 5.579 5.332 ( -6.090 -0.485 -1.233) 6.232 5.432 ( -8.103 -3.198 5.869) 10.504 5.498 ( 2.875 0.714 1.454) 3.300 5.764 ( -5.226 -1.655 -3.318) 6.408 5.859 ( 5.042 0.474 5.682) 7.611 6.179 ( 6.745 -8.069 4.290) 11.359 6.751 ( 4.835 -2.367 -7.340) 9.102 6.949 ( -0.789 -2.106 -7.133) 7.479 6.963 ( -1.746 12.270 -3.865) 12.983 8.080 ( -0.096 2.447 -1.237) 2.743 8.190 ( -0.144 -2.974 -2.636) 3.977 8.247 ( -0.415 0.313 0.488) 0.713 8.534 ( -0.431 -2.327 2.747) 3.626 8.599 ( -2.692 -6.489 -8.267) 10.849 9.594 ( 4.361 0.566 -9.774) 10.718 9.884 ( -10.471 -2.033 6.440) 12.460 10.410 ( 2.718 -5.193 0.381) 5.874 11.999 ( 4.428 -0.601 5.771) 7.298 12.529 ( -1.840 0.091 1.879) 2.631 12.661 ( 1.140 0.115 -6.069) 6.176 12.809 ( -7.764 1.296 -0.977) 7.932 13.050 ( 0.240 -5.316 3.880) 6.586 13.229 ( 7.915 -5.227 0.323) 9.491 13.521 ( 3.502 -2.785 3.214) 5.509 13.648 ( -3.473 1.337 -1.880) 4.169 13.792 ( -1.883 1.668 2.404) 3.480 14.069 ( -2.166 2.530 -4.483) 5.585 14.831 ( 3.282 0.001 5.787) 6.653 15.231 ( -1.913 -2.338 -1.988) 3.616 15.711 ( 3.902 -0.522 3.438) 5.227 15.924 ( -0.891 1.826 -3.841) 4.345 16.054 ( -2.467 5.490 -1.305) 6.159 16.224 ( 0.489 0.657 1.706) 1.893 18.437 ( -2.742 1.593 -2.626) 4.118 18.802 ( 1.472 0.787 -0.147) 1.675 23.884 ( 2.357 0.805 5.159) 5.729 24.021 ( 1.436 0.723 3.923) 4.239 25.905 ( -0.818 -0.738 -3.035) 3.228 25.928 ( -2.109 -0.749 -4.169) 4.732 26.623 ( 0.249 0.136 1.020) 1.059 26.712 ( 0.352 -1.426 0.430) 1.530 27.079 ( 17.002 -17.226 26.887) 36.176 27.688 ( -11.394 -1.461 -10.723) 15.714 28.037 ( -0.117 1.465 -0.290) 1.498 28.352 ( 4.574 -1.976 4.143) 6.480 28.753 ( -0.597 -0.440 0.234) 0.778 28.867 ( 0.077 1.480 3.423) 3.730 29.020 ( 5.162 1.305 1.277) 5.476 30.097 ( -12.552 17.323 -24.775) 32.732 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -11.255 -0.000 -3.413) 11.761 2.108 ( -2.766 -0.000 3.464) 4.433 2.170 ( -1.560 -0.000 3.111) 3.480 2.330 ( -0.945 -0.000 7.870) 7.926 2.381 ( 10.271 0.000 0.609) 10.289 2.434 ( -0.988 -0.000 2.337) 2.538 2.624 ( 6.180 0.000 -2.669) 6.731 2.708 ( 0.165 0.000 -10.873) 10.874 2.873 ( -3.386 -0.000 0.917) 3.508 2.970 ( -3.273 -0.000 7.514) 8.196 3.073 ( -12.206 -0.000 3.547) 12.711 3.090 ( -31.645 -0.000 22.849) 39.031 3.467 ( 12.271 0.000 0.938) 12.307 3.722 ( 2.732 0.000 -3.555) 4.484 3.863 ( -3.275 -0.000 -0.658) 3.340 3.913 ( -3.171 -0.000 6.531) 7.260 4.127 ( 8.524 0.000 -3.316) 9.146 4.264 ( -13.059 -0.000 1.766) 13.178 4.357 ( -2.748 -0.000 10.567) 10.919 4.632 ( -6.432 -0.000 -0.180) 6.435 4.665 ( 2.676 0.000 -7.447) 7.913 5.001 ( -0.181 -0.000 -3.485) 3.490 5.181 ( 0.277 0.000 -0.874) 0.916 5.406 ( -1.060 -0.000 5.504) 5.605 5.560 ( 5.515 0.000 0.090) 5.516 5.563 ( -0.103 -0.000 1.847) 1.850 5.612 ( -8.699 -0.000 1.579) 8.841 5.952 ( -11.923 -0.000 0.623) 11.939 6.087 ( -7.367 -0.000 -5.544) 9.220 6.588 ( 0.271 0.000 0.254) 0.372 6.632 ( 8.075 0.000 0.171) 8.077 7.459 ( 6.094 0.000 0.187) 6.097 7.882 ( 13.407 0.000 2.497) 13.637 7.945 ( 4.931 0.000 -4.351) 6.576 8.136 ( -2.255 -0.000 -12.317) 12.522 8.426 ( 11.326 0.000 -5.792) 12.721 8.674 ( -18.033 -0.000 11.609) 21.446 9.254 ( 18.418 0.000 -11.713) 21.827 9.688 ( 1.071 0.000 -2.050) 2.313 10.660 ( -9.849 -0.000 7.744) 12.529 11.920 ( -5.193 -0.000 -0.864) 5.265 12.607 ( 6.460 0.000 -2.417) 6.898 12.617 ( 3.170 0.000 -5.360) 6.227 12.672 ( -5.970 -0.000 4.836) 7.683 12.971 ( 1.862 0.000 -5.232) 5.553 13.235 ( -6.079 -0.000 9.650) 11.405 13.405 ( -5.084 -0.000 -0.816) 5.150 13.567 ( 4.142 0.000 -8.733) 9.666 13.898 ( -2.512 -0.000 6.692) 7.148 14.290 ( 2.876 0.000 0.680) 2.955 14.741 ( -5.010 -0.000 -3.218) 5.954 15.237 ( 5.143 0.000 -3.121) 6.016 15.493 ( 2.200 0.000 -3.622) 4.238 16.082 ( -4.161 -0.000 5.605) 6.981 16.230 ( -2.785 -0.000 1.997) 3.427 16.375 ( 2.484 0.000 2.295) 3.382 18.631 ( -5.736 -0.000 4.576) 7.338 18.655 ( 8.950 0.000 -6.180) 10.877 24.002 ( -7.699 -0.000 5.614) 9.529 24.181 ( -8.346 -0.000 7.489) 11.213 25.794 ( 3.696 0.000 -3.942) 5.404 26.027 ( 5.833 0.000 4.230) 7.205 26.324 ( -8.805 -0.000 -9.916) 13.261 26.631 ( -1.039 -0.000 -2.414) 2.628 26.692 ( 0.346 0.000 0.383) 0.516 27.852 ( 4.457 0.000 4.811) 6.558 28.246 ( -7.622 -0.000 7.256) 10.524 28.378 ( -8.308 -0.000 -6.054) 10.280 28.730 ( 0.250 0.000 -0.014) 0.250 28.793 ( 0.792 0.000 -0.769) 1.104 28.981 ( 1.736 0.000 3.901) 4.270 30.378 ( 17.463 0.000 -6.823) 18.749 ======================= Grid point 96 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -6.652 13.799 6.424) 16.611 2.067 ( -5.053 8.322 5.458) 11.162 2.167 ( -1.042 -6.773 -0.210) 6.856 2.343 ( -3.315 1.191 -2.041) 4.071 2.376 ( -1.560 -1.374 9.212) 9.444 2.550 ( 3.431 -0.216 -2.960) 4.537 2.615 ( -16.328 0.846 3.366) 16.693 2.704 ( 4.264 -2.627 -4.450) 6.700 2.745 ( -4.358 0.974 9.440) 10.443 2.865 ( -6.241 0.135 0.914) 6.309 2.895 ( -9.390 -3.516 5.609) 11.489 3.088 ( -1.745 -5.850 15.132) 16.317 3.564 ( 5.314 9.638 -0.491) 11.017 3.730 ( 4.322 5.180 0.249) 6.751 3.831 ( -0.356 -2.010 -2.247) 3.036 3.918 ( -2.885 -0.223 2.711) 3.966 4.029 ( -9.941 9.832 1.458) 14.058 4.186 ( 3.069 0.308 1.348) 3.366 4.407 ( -3.264 -7.903 3.056) 9.080 4.598 ( -1.298 -0.699 3.559) 3.852 4.710 ( 4.880 -2.770 -5.700) 7.999 5.010 ( 2.912 -0.523 -0.831) 3.073 5.160 ( -0.463 0.318 -4.648) 4.682 5.388 ( -7.030 -0.408 5.990) 9.245 5.505 ( -2.955 0.120 -0.431) 2.988 5.551 ( -0.541 -1.753 -3.341) 3.812 5.671 ( 4.203 -1.821 1.729) 4.896 5.839 ( -4.852 0.655 4.700) 6.787 5.959 ( -5.560 0.506 -3.866) 6.791 6.588 ( 0.733 0.491 -0.535) 1.032 6.768 ( 6.978 -2.477 0.432) 7.417 7.481 ( 2.433 5.073 -3.132) 6.439 8.003 ( 4.600 -1.416 -2.229) 5.304 8.017 ( 1.214 -1.147 -7.077) 7.272 8.104 ( 4.609 -1.199 3.173) 5.723 8.522 ( -10.115 -1.086 7.556) 12.673 8.534 ( 5.749 -0.429 -4.372) 7.236 9.450 ( 18.490 1.980 -13.427) 22.937 9.733 ( 1.920 -4.662 0.909) 5.123 10.506 ( -14.703 0.280 4.018) 15.244 11.878 ( -1.151 0.016 2.336) 2.605 12.580 ( -3.804 0.095 2.238) 4.415 12.681 ( 6.743 0.216 -3.381) 7.546 12.699 ( 4.601 0.823 -0.465) 4.697 12.967 ( -0.733 -2.195 -3.096) 3.865 13.166 ( -9.796 -0.655 7.463) 12.333 13.359 ( -1.872 -0.543 1.915) 2.732 13.622 ( 8.124 -1.444 -8.223) 11.649 13.850 ( -6.211 0.889 2.735) 6.845 14.292 ( -0.731 1.054 -3.558) 3.782 14.699 ( 0.210 0.146 1.254) 1.280 15.301 ( 4.772 -0.536 -1.956) 5.185 15.514 ( 3.113 1.242 -0.828) 3.453 16.039 ( -4.367 0.164 2.927) 5.260 16.204 ( -2.738 -0.134 3.182) 4.200 16.389 ( -0.339 1.049 -1.097) 1.555 18.572 ( -5.136 -0.052 2.794) 5.847 18.742 ( 7.569 0.590 -5.257) 9.235 23.927 ( -5.901 0.500 5.397) 8.012 24.097 ( -7.657 -0.184 5.626) 9.504 25.829 ( 3.218 -0.567 -3.314) 4.654 26.091 ( -1.454 0.128 -5.105) 5.309 26.245 ( 3.761 -0.616 7.219) 8.164 26.614 ( 0.288 0.129 -1.434) 1.468 26.693 ( -0.184 -0.006 -0.049) 0.190 27.933 ( 1.417 -1.130 0.701) 1.943 28.166 ( -6.298 1.302 3.708) 7.423 28.234 ( -4.578 0.399 -3.531) 5.795 28.734 ( 0.093 -0.133 0.353) 0.388 28.799 ( 0.623 -0.115 -1.101) 1.270 29.036 ( 0.542 -0.520 6.122) 6.168 30.533 ( 10.336 0.569 -10.706) 14.892 ======================= Grid point 97 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 6.571 18.733 12.597) 23.511 1.896 ( -3.073 15.413 9.353) 18.289 2.237 ( -4.100 3.057 -2.990) 5.924 2.239 ( 1.175 -3.164 3.420) 4.805 2.395 ( -9.891 0.965 7.336) 12.353 2.437 ( -1.468 -3.666 4.446) 5.947 2.564 ( 3.282 -1.749 -5.715) 6.819 2.721 ( -3.261 0.509 -1.194) 3.509 2.829 ( -0.058 1.026 1.276) 1.638 2.853 ( 5.440 -4.829 6.463) 9.731 2.898 ( -0.542 -6.559 3.154) 7.297 3.237 ( -0.939 -7.193 13.584) 15.400 3.428 ( -1.963 17.712 4.822) 18.462 3.609 ( -0.487 18.212 -2.035) 18.332 3.793 ( -3.491 3.524 -1.787) 5.273 3.887 ( -1.791 0.468 4.448) 4.818 3.926 ( -1.148 -5.771 -1.542) 6.082 4.279 ( 3.033 -4.428 5.506) 7.689 4.441 ( -1.704 -3.719 -2.028) 4.566 4.595 ( -1.519 1.416 3.078) 3.713 4.803 ( 5.461 -3.862 -2.435) 7.118 5.070 ( 4.545 -0.004 -2.111) 5.011 5.128 ( -0.529 -1.267 -3.860) 4.097 5.304 ( -8.507 -2.206 4.063) 9.682 5.488 ( -0.526 0.854 1.508) 1.811 5.541 ( 1.141 1.209 -4.229) 4.544 5.744 ( 0.627 -1.838 1.003) 2.185 5.847 ( -0.583 -0.799 5.356) 5.447 5.885 ( -1.729 -3.983 -1.489) 4.590 6.603 ( 3.139 -0.447 -2.886) 4.287 6.869 ( 1.536 -3.118 -1.017) 3.621 7.390 ( -0.449 8.309 -5.100) 9.760 8.010 ( 3.283 -2.090 -6.085) 7.223 8.109 ( 4.955 -4.092 0.250) 6.431 8.181 ( -1.307 -0.659 7.692) 7.830 8.471 ( -3.905 -1.799 3.719) 5.685 8.553 ( -0.135 -0.180 -5.564) 5.568 9.586 ( 13.743 2.987 -12.359) 18.722 9.838 ( 0.170 -5.324 4.267) 6.826 10.306 ( -12.302 -1.895 -0.773) 12.471 11.905 ( 1.673 -0.205 4.785) 5.073 12.548 ( -2.001 0.381 2.230) 3.020 12.729 ( 3.226 1.793 -4.089) 5.508 12.791 ( 8.437 0.164 2.568) 8.820 12.949 ( -5.074 -2.677 -1.451) 5.918 13.080 ( -5.832 -1.507 3.583) 7.009 13.382 ( 1.256 -1.321 3.643) 4.073 13.727 ( 6.436 -3.116 -4.395) 8.393 13.755 ( -5.132 0.753 -1.041) 5.290 14.211 ( -3.359 1.525 -7.100) 8.001 14.743 ( 2.824 -0.302 4.460) 5.287 15.332 ( 0.981 2.654 -1.830) 3.370 15.570 ( 5.496 0.090 3.352) 6.438 15.988 ( -3.520 -0.470 -1.062) 3.706 16.189 ( -1.688 0.592 3.819) 4.217 16.329 ( -3.129 2.317 -3.420) 5.182 18.513 ( -4.016 -0.036 0.310) 4.028 18.801 ( 4.794 0.902 -3.415) 5.955 23.888 ( -2.234 0.845 5.215) 5.736 24.039 ( -3.560 0.389 4.525) 5.771 25.860 ( 1.936 -1.041 -2.530) 3.352 26.001 ( -4.010 -0.142 -6.092) 7.295 26.461 ( 12.356 -1.770 15.490) 19.894 26.617 ( 0.725 0.043 -0.077) 0.730 26.690 ( -0.405 -0.499 0.119) 0.654 27.859 ( -9.054 -1.224 -8.421) 12.425 28.099 ( -3.566 0.837 2.222) 4.284 28.238 ( 5.435 0.658 1.799) 5.763 28.740 ( -0.031 -0.264 0.519) 0.583 28.809 ( 1.034 -0.907 -0.664) 1.527 29.068 ( -0.838 1.230 7.186) 7.338 30.534 ( 0.763 1.466 -15.173) 15.262 ======================= Grid point 98 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 10.313 19.743 8.484) 23.836 1.762 ( 2.771 16.482 11.871) 20.500 2.174 ( 0.953 2.157 -3.132) 3.921 2.304 ( -4.291 0.200 1.871) 4.686 2.372 ( 10.500 1.817 9.255) 14.114 2.424 ( -1.916 -1.194 -3.247) 3.955 2.595 ( -7.502 2.680 -2.793) 8.442 2.686 ( 6.862 -1.682 2.619) 7.535 2.793 ( -1.265 4.458 2.586) 5.307 3.010 ( 2.085 -5.149 5.116) 7.552 3.123 ( 13.327 -6.897 4.491) 15.664 3.175 ( -0.452 17.895 5.247) 18.654 3.388 ( -2.639 -3.852 15.419) 16.111 3.415 ( -0.922 8.127 -2.294) 8.495 3.692 ( -2.656 3.263 -2.202) 4.749 3.883 ( 0.484 0.212 1.017) 1.146 3.982 ( 0.379 -2.951 0.944) 3.122 4.403 ( -1.821 -6.151 -1.100) 6.508 4.437 ( 1.765 -1.047 4.540) 4.983 4.577 ( 2.102 4.002 1.781) 4.859 4.932 ( 5.940 -4.583 0.594) 7.526 5.066 ( -2.195 -0.728 -5.815) 6.258 5.161 ( 3.122 -1.028 1.683) 3.693 5.262 ( -4.761 -4.173 3.355) 7.165 5.449 ( -2.628 3.333 0.418) 4.265 5.527 ( 1.827 1.466 -1.555) 2.812 5.722 ( -3.787 -1.504 -5.722) 7.024 5.880 ( 4.470 0.957 5.894) 7.459 6.002 ( 2.130 -7.932 4.783) 9.504 6.663 ( 3.642 -4.041 -4.922) 7.336 6.870 ( -3.863 -2.956 -3.194) 5.819 7.229 ( -2.735 9.933 -4.849) 11.387 8.081 ( 5.838 -2.337 -5.429) 8.308 8.160 ( -5.896 0.232 5.187) 7.856 8.237 ( 2.748 -2.683 2.481) 4.572 8.474 ( -2.232 -2.292 -1.827) 3.685 8.487 ( -2.238 -2.196 -4.752) 5.693 9.630 ( 2.971 2.462 -8.368) 9.214 9.848 ( -6.174 -0.980 5.709) 8.466 10.265 ( 1.597 -6.768 -2.964) 7.560 11.984 ( 4.088 -0.585 5.945) 7.239 12.539 ( 0.732 0.802 0.810) 1.354 12.708 ( 1.849 3.228 -5.151) 6.353 12.829 ( -9.600 -0.051 -0.002) 9.600 12.946 ( 3.389 -2.979 4.489) 6.365 13.121 ( 5.514 -3.857 1.084) 6.816 13.462 ( 3.615 -2.118 4.170) 5.911 13.675 ( -3.060 0.903 -2.787) 4.236 13.800 ( 0.383 -1.389 -0.478) 1.518 14.105 ( -2.417 0.647 -7.754) 8.147 14.827 ( 3.813 -0.532 5.146) 6.426 15.253 ( -3.452 4.038 -2.523) 5.881 15.698 ( 6.113 -0.577 6.493) 8.937 15.936 ( -1.601 -0.545 -4.746) 5.038 16.163 ( -2.403 3.378 -0.086) 4.147 16.242 ( -1.724 1.052 0.345) 2.049 18.458 ( -2.326 0.485 -2.210) 3.245 18.823 ( 1.287 0.900 -0.698) 1.719 23.906 ( 1.977 0.964 5.523) 5.945 24.039 ( 1.151 0.746 3.833) 4.071 25.881 ( 0.647 -1.199 -1.719) 2.193 25.917 ( -3.272 -0.297 -5.265) 6.206 26.625 ( 0.892 0.067 0.210) 0.919 26.682 ( 0.317 -1.023 -0.155) 1.082 26.838 ( 14.719 -5.885 21.743) 26.908 27.660 ( -10.643 -0.890 -12.011) 16.073 28.061 ( -1.183 0.331 -0.080) 1.231 28.337 ( 6.251 0.889 2.580) 6.820 28.742 ( -0.435 -0.289 0.371) 0.640 28.856 ( 2.786 -2.008 1.089) 3.602 29.070 ( -0.640 2.341 6.228) 6.684 30.334 ( -9.383 5.418 -18.466) 21.410 ======================= Grid point 99 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 8.535 19.046 3.517) 21.165 1.734 ( 6.564 13.697 13.546) 20.352 2.135 ( -4.694 -1.831 0.247) 5.044 2.257 ( -4.464 -0.868 -0.717) 4.604 2.379 ( -1.296 -1.564 -1.798) 2.713 2.443 ( -2.092 2.442 -6.477) 7.232 2.616 ( 13.399 6.338 10.068) 17.919 2.755 ( 4.134 3.147 3.727) 6.394 2.821 ( 4.773 0.600 7.157) 8.623 3.006 ( 4.252 11.370 -0.044) 12.139 3.119 ( 0.461 -1.922 1.928) 2.762 3.272 ( 0.390 3.163 2.996) 4.374 3.428 ( 3.337 -0.113 -2.796) 4.355 3.466 ( -4.315 -2.367 13.378) 14.254 3.732 ( 12.081 -3.494 2.825) 12.890 3.880 ( 0.778 -0.284 -4.516) 4.591 4.036 ( 1.845 -0.097 6.391) 6.652 4.372 ( -1.146 -0.090 -3.332) 3.525 4.577 ( 4.904 -4.974 6.500) 9.541 4.594 ( 5.823 4.725 2.401) 7.874 4.964 ( -8.198 0.739 -0.851) 8.276 5.066 ( 1.997 -5.916 -1.903) 6.527 5.246 ( 5.223 -1.211 -3.298) 6.295 5.277 ( -3.338 -2.390 7.441) 8.498 5.355 ( -2.964 4.550 2.070) 5.811 5.540 ( 0.655 -0.593 1.949) 2.140 5.646 ( -1.343 -0.408 -7.321) 7.455 6.012 ( 9.852 0.367 3.244) 10.379 6.168 ( 2.705 -10.119 4.614) 11.445 6.696 ( -2.418 -2.877 -5.518) 6.676 6.825 ( -3.838 -3.722 -3.538) 6.411 7.037 ( -4.975 8.414 -2.365) 10.056 8.051 ( -11.127 -0.913 4.110) 11.897 8.106 ( -5.277 3.506 -0.410) 6.349 8.233 ( 2.807 0.212 -10.149) 10.532 8.443 ( -0.876 -5.549 -9.318) 10.880 8.561 ( 5.853 -2.813 0.492) 6.513 9.514 ( -12.428 -0.142 2.357) 12.650 9.825 ( 2.429 1.816 -3.417) 4.569 10.402 ( 4.910 -6.728 1.714) 8.503 12.105 ( 6.287 -0.794 5.952) 8.694 12.565 ( 2.698 0.722 -1.057) 2.987 12.653 ( -4.548 1.302 -7.157) 8.579 12.674 ( -2.274 1.665 -3.208) 4.270 13.028 ( -0.220 -2.589 4.779) 5.440 13.290 ( 5.856 -4.673 2.576) 7.923 13.583 ( 5.902 -2.317 2.890) 6.968 13.604 ( -2.219 1.550 -2.836) 3.921 13.772 ( -2.885 0.318 1.292) 3.177 14.037 ( -1.478 1.216 -5.231) 5.570 14.918 ( 3.842 0.012 5.200) 6.465 15.139 ( -5.373 0.004 -3.897) 6.637 15.784 ( 1.224 1.554 2.583) 3.254 15.933 ( 2.639 -0.711 -0.020) 2.733 16.065 ( -2.070 3.269 -0.864) 3.965 16.255 ( 1.451 -0.005 2.143) 2.588 18.414 ( 0.151 1.002 -3.654) 3.792 18.814 ( -1.667 0.643 2.136) 2.784 23.985 ( 5.155 0.791 6.632) 8.437 24.087 ( 2.679 0.340 3.410) 4.349 25.846 ( -2.104 -0.092 -5.008) 5.433 25.890 ( -0.286 -0.868 -1.218) 1.523 26.637 ( 0.659 0.208 0.826) 1.077 26.690 ( -0.728 -1.681 -0.562) 1.916 27.250 ( 7.534 -7.800 15.787) 19.153 27.458 ( -7.209 -2.484 -6.680) 10.137 28.067 ( 3.736 -0.360 -2.614) 4.574 28.416 ( 3.268 0.121 2.372) 4.039 28.742 ( -0.284 -0.503 0.051) 0.580 28.908 ( -0.664 1.766 5.090) 5.429 29.121 ( 7.369 -1.823 1.740) 7.788 29.942 ( -14.413 11.718 -16.929) 25.133 ======================= Grid point 104 (48/114) ======================= q-point: (-0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 11.356 -0.000 16.488) 20.020 2.103 ( -0.803 -0.000 3.666) 3.753 2.104 ( -0.879 0.000 2.242) 2.408 2.296 ( -1.502 -0.000 -3.968) 4.243 2.357 ( -4.612 -0.000 7.549) 8.847 2.407 ( -11.200 -0.000 8.959) 14.342 2.536 ( 0.060 -0.000 -5.833) 5.834 2.697 ( -2.697 -0.000 -0.184) 2.703 2.796 ( 1.851 -0.000 4.798) 5.142 2.822 ( 2.606 -0.000 5.995) 6.537 2.856 ( -1.666 -0.000 0.698) 1.806 3.120 ( -0.775 -0.000 15.272) 15.292 3.681 ( -2.398 0.000 -3.846) 4.532 3.767 ( 3.226 -0.000 1.098) 3.408 3.834 ( -7.699 -0.000 -2.257) 8.023 3.844 ( 3.856 -0.000 2.181) 4.430 4.041 ( -0.397 0.000 -4.393) 4.411 4.215 ( -9.103 -0.000 7.320) 11.681 4.317 ( 5.295 -0.000 0.567) 5.325 4.628 ( 0.972 -0.000 6.253) 6.328 4.743 ( 5.682 -0.000 -5.431) 7.860 5.078 ( 5.981 -0.000 1.210) 6.102 5.112 ( -1.008 -0.000 -7.903) 7.967 5.279 ( -8.613 -0.000 4.053) 9.519 5.504 ( 1.685 -0.000 1.280) 2.116 5.549 ( 2.676 -0.000 -3.792) 4.641 5.686 ( -1.146 -0.000 1.246) 1.693 5.848 ( -5.210 0.000 -5.733) 7.747 5.848 ( 0.499 -0.000 6.784) 6.802 6.602 ( 0.882 -0.000 -0.338) 0.944 6.831 ( 1.885 -0.000 1.902) 2.678 7.494 ( -1.141 -0.000 -5.182) 5.306 7.983 ( 3.092 -0.000 -5.914) 6.673 8.045 ( 3.888 -0.000 -1.091) 4.038 8.174 ( -0.915 -0.000 8.332) 8.382 8.450 ( -3.419 -0.000 3.184) 4.672 8.556 ( 0.279 -0.000 -4.278) 4.287 9.642 ( 14.847 -0.000 -13.591) 20.129 9.753 ( 2.849 -0.000 4.376) 5.221 10.284 ( -15.254 -0.000 -0.841) 15.277 11.903 ( 1.379 -0.000 5.236) 5.414 12.557 ( -1.344 -0.000 2.383) 2.735 12.734 ( 5.905 -0.000 -7.766) 9.756 12.816 ( 6.877 -0.000 4.586) 8.266 12.913 ( -3.922 -0.000 -2.124) 4.460 13.062 ( -6.706 -0.000 4.147) 7.885 13.369 ( 0.686 -0.000 5.035) 5.082 13.678 ( 6.151 -0.000 -5.953) 8.560 13.764 ( -5.493 -0.000 -0.902) 5.567 14.230 ( -3.759 -0.000 -7.837) 8.692 14.739 ( 2.468 -0.000 4.886) 5.474 15.363 ( 4.117 -0.000 -1.801) 4.493 15.579 ( 4.295 -0.000 2.725) 5.086 15.979 ( -4.544 -0.000 -0.254) 4.551 16.196 ( -1.395 -0.000 4.376) 4.593 16.356 ( -2.974 -0.000 -3.640) 4.700 18.513 ( -3.941 -0.000 0.635) 3.991 18.812 ( 4.649 -0.000 -3.491) 5.814 23.899 ( -2.347 -0.000 5.382) 5.872 24.044 ( -3.053 -0.000 4.352) 5.316 25.848 ( 1.960 -0.000 -2.561) 3.225 25.998 ( -4.177 -0.000 -6.060) 7.360 26.440 ( 11.693 -0.000 14.921) 18.957 26.618 ( 0.788 -0.000 -0.379) 0.874 26.685 ( -0.579 -0.000 -0.854) 1.032 27.844 ( -8.306 -0.000 -8.261) 11.715 28.107 ( -5.090 -0.000 2.660) 5.743 28.251 ( 6.716 -0.000 0.524) 6.737 28.737 ( 0.155 -0.000 0.392) 0.421 28.797 ( 0.173 -0.000 -1.241) 1.253 29.081 ( -0.395 -0.000 8.527) 8.536 30.549 ( 0.873 -0.000 -13.530) 13.558 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 5.921 13.947 5.351) 16.069 2.068 ( 0.930 8.632 5.763) 10.420 2.242 ( -0.863 3.415 -0.202) 3.528 2.308 ( -5.562 -0.242 3.375) 6.511 2.336 ( 13.435 -2.988 8.219) 16.031 2.424 ( -0.079 0.942 1.006) 1.381 2.534 ( -0.897 -7.080 2.585) 7.590 2.676 ( 2.882 -1.228 0.674) 3.205 2.801 ( -4.136 -0.257 4.730) 6.288 2.911 ( 5.103 -0.374 5.455) 7.479 2.978 ( 12.854 -4.710 3.647) 14.167 3.223 ( -1.591 -4.790 13.788) 14.683 3.526 ( -7.408 6.189 -1.489) 9.767 3.684 ( -5.520 4.744 -5.299) 9.003 3.805 ( -6.634 5.406 3.962) 9.430 3.891 ( 0.095 -0.222 1.037) 1.065 3.930 ( 7.718 6.106 -1.114) 9.904 4.233 ( -1.858 -8.395 0.326) 8.604 4.408 ( 2.621 -1.472 3.645) 4.725 4.672 ( 3.061 3.355 5.310) 6.987 4.825 ( 5.488 -3.617 -1.995) 6.869 5.048 ( -2.034 -0.652 -7.732) 8.021 5.160 ( 3.995 -0.279 -3.191) 5.121 5.216 ( -3.144 0.588 8.115) 8.723 5.524 ( 0.526 3.143 1.580) 3.557 5.551 ( -0.330 0.369 -1.755) 1.824 5.691 ( 0.200 -3.185 -4.505) 5.521 5.787 ( -0.772 -4.962 -2.958) 5.828 5.927 ( 5.535 0.622 6.418) 8.498 6.609 ( 0.158 -0.707 -1.453) 1.623 6.832 ( -3.493 -0.522 1.452) 3.818 7.398 ( -4.026 4.009 -5.719) 8.061 8.041 ( 5.935 -0.628 -4.217) 7.308 8.115 ( 2.500 -4.110 -0.797) 4.876 8.172 ( -3.936 -0.330 6.349) 7.477 8.441 ( 0.016 -0.809 1.736) 1.915 8.484 ( -5.759 0.754 -5.480) 7.986 9.688 ( -0.804 1.792 -6.468) 6.759 9.840 ( 1.891 0.126 7.493) 7.729 10.130 ( -0.662 -3.742 -8.504) 9.315 11.975 ( 3.507 -0.171 6.546) 7.428 12.559 ( 0.810 0.668 1.036) 1.475 12.759 ( 3.682 0.164 -10.359) 10.995 12.802 ( -9.409 -0.610 -0.548) 9.444 12.943 ( 5.354 1.579 8.885) 10.493 13.055 ( 2.515 -1.703 1.626) 3.445 13.429 ( 2.708 -0.703 5.655) 6.309 13.694 ( -1.375 0.931 -3.007) 3.435 13.740 ( 2.456 -2.760 -2.465) 4.441 14.112 ( -3.936 0.139 -10.065) 10.808 14.818 ( 3.512 -0.180 5.751) 6.741 15.356 ( -1.111 3.233 -3.204) 4.685 15.688 ( 6.004 -0.197 7.486) 9.598 15.912 ( -3.182 -0.984 -4.145) 5.317 16.207 ( -0.313 0.720 4.124) 4.198 16.270 ( -4.388 0.890 -3.654) 5.780 18.465 ( -1.880 0.179 -1.645) 2.505 18.839 ( 1.087 0.380 -1.048) 1.557 23.924 ( 1.790 0.451 5.843) 6.128 24.052 ( 0.948 0.319 3.787) 3.917 25.859 ( 0.790 -0.550 -1.539) 1.816 25.912 ( -3.216 -0.121 -5.241) 6.150 26.627 ( 1.350 0.125 -0.453) 1.429 26.667 ( -0.456 -0.225 -1.290) 1.386 26.751 ( 14.082 -1.917 19.675) 24.271 27.646 ( -9.745 -0.299 -12.407) 15.779 28.058 ( -2.506 -0.267 -0.015) 2.521 28.374 ( 8.757 1.464 1.815) 9.062 28.742 ( 0.061 0.198 0.403) 0.453 28.803 ( 0.750 -1.855 -0.674) 2.111 29.109 ( -2.245 0.845 9.268) 9.574 30.406 ( -7.757 1.344 -15.479) 17.366 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.214 11.738 5.402) 12.923 2.009 ( 1.692 10.224 1.470) 10.467 2.151 ( -4.870 4.272 4.134) 7.685 2.233 ( -10.402 -0.589 0.703) 10.442 2.365 ( 2.079 0.314 -3.278) 3.894 2.518 ( -0.211 2.283 -3.130) 3.879 2.642 ( 13.688 -0.896 5.801) 14.894 2.780 ( -1.351 -1.068 2.770) 3.262 2.830 ( 6.657 0.491 6.229) 9.130 3.034 ( 2.586 -2.633 8.255) 9.042 3.239 ( 4.047 -0.723 0.850) 4.198 3.317 ( -0.381 -1.516 4.032) 4.324 3.366 ( -6.068 -0.101 8.018) 10.056 3.536 ( -1.331 5.784 -2.818) 6.570 3.713 ( 7.677 4.962 8.483) 12.470 3.864 ( -3.116 -0.801 -1.598) 3.593 4.044 ( 7.726 1.176 2.688) 8.265 4.310 ( 3.083 -5.484 -3.720) 7.309 4.481 ( 1.673 -2.244 7.202) 7.727 4.713 ( 6.073 4.995 3.404) 8.569 4.935 ( 1.480 -3.823 -6.588) 7.759 4.977 ( -3.085 -1.152 1.665) 3.690 5.175 ( -0.898 -2.763 -1.131) 3.118 5.259 ( 2.925 1.375 6.135) 6.935 5.455 ( -7.149 0.943 1.812) 7.435 5.537 ( 0.710 1.099 1.255) 1.813 5.703 ( 9.869 3.611 -13.097) 16.792 5.888 ( 0.352 -9.475 2.831) 9.895 6.068 ( 9.777 0.519 4.157) 10.637 6.605 ( -1.981 -3.069 -3.328) 4.941 6.772 ( -5.312 -0.330 1.079) 5.431 7.225 ( -6.942 6.287 -4.973) 10.604 8.013 ( -11.373 -1.454 3.868) 12.101 8.142 ( 0.507 -1.519 -1.115) 1.952 8.241 ( 2.926 -0.793 -5.189) 6.010 8.329 ( -4.273 -1.928 -9.969) 11.016 8.508 ( 5.776 -1.623 1.284) 6.135 9.517 ( -15.328 0.296 1.357) 15.391 9.898 ( 6.186 4.075 1.068) 7.484 10.238 ( 7.944 -6.746 -3.564) 11.015 12.086 ( 5.878 -0.684 6.131) 8.521 12.584 ( 2.610 0.734 -0.056) 2.712 12.633 ( -10.845 -1.914 -4.287) 11.818 12.747 ( 3.431 2.911 -8.909) 9.981 13.016 ( 1.143 1.844 9.132) 9.386 13.184 ( 6.097 -4.141 3.494) 8.157 13.538 ( 6.436 -1.444 3.939) 7.683 13.648 ( -0.659 2.117 -2.549) 3.378 13.761 ( -2.434 -1.454 -0.446) 2.870 14.030 ( -0.414 -1.234 -8.454) 8.553 14.906 ( 3.882 -0.427 4.409) 5.890 15.229 ( -5.315 5.823 -3.973) 8.828 15.805 ( 1.955 0.508 5.407) 5.772 15.887 ( 1.657 -2.843 -2.041) 3.872 16.143 ( -4.357 2.837 -2.117) 5.613 16.249 ( 0.552 -0.428 3.123) 3.200 18.435 ( 0.567 0.802 -3.481) 3.617 18.827 ( -2.083 0.410 1.686) 2.711 24.005 ( 4.990 0.823 7.163) 8.769 24.095 ( 1.967 0.315 3.579) 4.096 25.846 ( -1.822 -0.016 -4.939) 5.265 25.869 ( 0.325 -0.811 -0.534) 1.024 26.637 ( 0.294 -0.105 -0.623) 0.697 26.660 ( -0.146 -0.882 -0.994) 1.336 27.120 ( 13.534 -3.503 20.731) 25.004 27.432 ( -8.640 -0.318 -13.987) 16.444 28.047 ( 1.156 -1.211 -2.399) 2.926 28.466 ( 5.687 3.643 1.809) 6.992 28.736 ( -0.541 0.181 0.238) 0.618 28.875 ( 3.629 -4.170 1.302) 5.679 29.109 ( -2.197 0.535 7.595) 7.925 30.120 ( -13.651 4.415 -15.546) 21.155 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.819 7.436 4.260) 8.609 1.904 ( -3.493 4.468 0.363) 5.683 2.047 ( -12.440 -3.577 2.007) 13.099 2.108 ( -1.184 6.969 8.249) 10.864 2.384 ( 4.245 2.524 -4.122) 6.433 2.497 ( 4.821 3.213 -3.606) 6.824 2.709 ( -3.601 -0.180 -0.187) 3.611 2.831 ( 1.295 -1.263 0.834) 1.992 2.950 ( 2.703 0.279 6.732) 7.260 3.102 ( 0.622 -0.512 2.147) 2.294 3.211 ( 2.156 5.801 0.446) 6.205 3.289 ( -3.196 -0.381 5.446) 6.326 3.407 ( 1.425 -3.545 -0.155) 3.824 3.470 ( -3.760 1.494 9.017) 9.883 3.767 ( -3.247 -1.574 -5.062) 6.217 3.987 ( 9.432 -0.553 9.219) 13.200 4.124 ( 2.696 1.140 6.186) 6.844 4.390 ( 4.506 2.603 1.651) 5.460 4.646 ( 7.564 -4.763 5.791) 10.650 4.781 ( 7.732 1.893 -1.640) 8.127 4.835 ( -5.340 1.545 0.136) 5.561 5.028 ( 0.312 -2.612 -1.272) 2.922 5.188 ( -0.603 -1.742 0.171) 1.851 5.250 ( -9.855 -0.825 0.512) 9.902 5.381 ( -1.523 0.680 6.081) 6.306 5.564 ( 1.025 -0.097 3.459) 3.609 5.769 ( 17.930 8.170 -11.705) 22.918 6.027 ( -1.656 -12.811 2.739) 13.205 6.226 ( 10.756 2.056 0.683) 10.972 6.562 ( -6.375 -3.039 -4.428) 8.336 6.735 ( -1.712 -3.146 1.404) 3.847 6.998 ( -9.214 7.087 -3.379) 12.105 7.872 ( -11.665 -1.651 2.196) 11.984 8.008 ( -10.605 2.940 -2.110) 11.206 8.249 ( 6.355 -2.275 -10.818) 12.751 8.347 ( 3.488 -2.282 -10.823) 11.598 8.650 ( 9.566 -1.772 -0.767) 9.759 9.302 ( -16.379 -1.643 4.886) 17.171 9.928 ( 6.523 6.391 -2.855) 9.568 10.426 ( 5.990 -6.089 4.641) 9.720 12.230 ( 7.622 -0.928 4.509) 8.905 12.431 ( -12.772 -0.565 -3.828) 13.345 12.637 ( 2.744 1.140 -3.674) 4.726 12.738 ( 8.564 0.960 -10.058) 13.245 13.049 ( -1.560 1.966 9.801) 10.117 13.324 ( 2.523 -3.115 5.466) 6.778 13.587 ( -0.698 2.053 -2.189) 3.081 13.649 ( 2.480 0.334 -1.812) 3.090 13.763 ( 1.824 -1.895 4.803) 5.476 13.998 ( -0.178 0.185 -6.040) 6.046 14.985 ( 1.638 -1.235 0.736) 2.179 15.053 ( -4.879 4.301 -2.946) 7.140 15.797 ( -1.207 1.112 -2.584) 3.061 15.973 ( 1.682 -1.127 4.357) 4.804 16.065 ( -1.115 0.266 2.284) 2.555 16.283 ( 1.009 -0.561 1.940) 2.258 18.425 ( 2.804 1.190 -4.367) 5.324 18.794 ( -4.012 0.122 3.820) 5.541 24.118 ( 3.241 0.770 6.975) 7.729 24.135 ( 2.059 0.449 6.109) 6.462 25.805 ( 0.296 0.249 -4.563) 4.579 25.880 ( 0.383 -0.304 -0.030) 0.490 26.636 ( -0.748 -1.705 -1.619) 2.467 26.668 ( 0.669 0.124 0.256) 0.727 27.160 ( -8.564 1.540 -16.703) 18.834 27.495 ( 6.972 -4.286 19.307) 20.970 28.100 ( 5.245 -2.520 -3.459) 6.769 28.481 ( 0.988 3.494 1.709) 4.013 28.733 ( -0.070 -0.556 -0.016) 0.561 28.941 ( -2.210 1.783 5.954) 6.597 29.204 ( 8.905 -6.854 1.532) 11.341 29.756 ( -13.898 6.976 -12.343) 19.854 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -12.013 -0.000 5.544) 13.230 2.199 ( -14.740 -0.000 -2.174) 14.899 2.213 ( 2.413 0.000 -1.229) 2.708 2.272 ( 1.340 0.000 3.644) 3.882 2.371 ( 4.043 0.000 -3.035) 5.055 2.505 ( 4.257 0.000 0.652) 4.306 2.640 ( 10.195 0.000 3.528) 10.788 2.773 ( -0.706 -0.000 2.318) 2.423 2.814 ( 7.514 0.000 15.435) 17.167 3.014 ( 4.795 0.000 4.078) 6.295 3.207 ( 13.097 0.000 3.575) 13.576 3.243 ( -2.210 -0.000 15.083) 15.244 3.383 ( -12.384 -0.000 -1.085) 12.431 3.583 ( -3.435 -0.000 -8.778) 9.426 3.840 ( -4.871 -0.000 -0.775) 4.932 3.850 ( 1.639 0.000 8.950) 9.099 4.138 ( -1.095 -0.000 1.720) 2.039 4.156 ( 16.257 0.000 -3.190) 16.567 4.460 ( 0.724 0.000 7.205) 7.241 4.795 ( 5.297 0.000 6.285) 8.219 4.862 ( 4.662 0.000 -4.811) 6.700 4.962 ( -4.027 -0.000 -2.970) 5.004 5.147 ( 0.389 0.000 -1.433) 1.485 5.297 ( 3.273 0.000 5.646) 6.526 5.453 ( -9.925 -0.000 -0.551) 9.941 5.605 ( 2.224 0.000 1.873) 2.907 5.626 ( -1.803 -0.000 -0.342) 1.835 5.820 ( 14.433 0.000 -11.704) 18.582 6.080 ( 10.449 0.000 3.797) 11.117 6.575 ( -3.021 -0.000 -1.682) 3.458 6.777 ( -5.395 -0.000 3.691) 6.537 7.302 ( -7.493 -0.000 -5.836) 9.497 7.995 ( -11.975 -0.000 4.039) 12.638 8.100 ( -0.251 -0.000 -1.006) 1.037 8.217 ( 9.877 0.000 -5.805) 11.456 8.330 ( -9.926 -0.000 -7.651) 12.532 8.489 ( 5.918 0.000 1.174) 6.033 9.521 ( -16.671 -0.000 0.116) 16.672 9.969 ( 4.904 0.000 12.552) 13.476 10.136 ( 12.185 0.000 -14.607) 19.022 12.078 ( 5.393 0.000 6.445) 8.404 12.593 ( 3.000 0.000 0.078) 3.001 12.603 ( -11.046 -0.000 -4.986) 12.119 12.781 ( 3.339 0.000 -9.897) 10.445 13.076 ( 1.649 0.000 12.121) 12.233 13.109 ( 5.208 0.000 2.344) 5.711 13.520 ( 6.942 0.000 4.203) 8.115 13.697 ( 0.886 0.000 -1.278) 1.555 13.715 ( -1.511 -0.000 -1.373) 2.042 14.011 ( -0.880 -0.000 -10.157) 10.195 14.903 ( 3.954 0.000 4.642) 6.098 15.316 ( -4.362 -0.000 -4.578) 6.323 15.818 ( 4.289 0.000 10.711) 11.538 15.834 ( -1.805 -0.000 -6.862) 7.095 16.180 ( -5.224 -0.000 -2.945) 5.997 16.241 ( 0.543 0.000 4.035) 4.071 18.446 ( 0.989 0.000 -3.241) 3.388 18.832 ( -2.355 -0.000 1.471) 2.777 24.016 ( 5.026 0.000 7.501) 9.029 24.099 ( 1.702 0.000 3.582) 3.966 25.845 ( -1.649 -0.000 -4.868) 5.140 25.858 ( 0.477 0.000 -0.284) 0.555 26.637 ( -1.264 -0.000 -2.558) 2.853 26.648 ( 1.410 0.000 0.048) 1.410 27.080 ( 14.917 0.000 21.378) 26.068 27.430 ( -8.406 -0.000 -15.421) 17.563 28.030 ( 0.185 0.000 -2.504) 2.511 28.529 ( 8.512 0.000 1.797) 8.699 28.757 ( 1.233 0.000 0.694) 1.415 28.784 ( -0.137 -0.000 -0.645) 0.660 29.118 ( -4.530 -0.000 9.729) 10.732 30.170 ( -13.115 -0.000 -14.951) 19.888 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -17.541 -1.212 5.057) 18.295 1.923 ( -20.574 -2.024 0.543) 20.681 2.191 ( 1.924 6.900 1.616) 7.343 2.285 ( 3.265 6.222 -0.075) 7.027 2.434 ( 6.485 1.312 -3.747) 7.604 2.560 ( 3.281 0.180 -1.745) 3.720 2.692 ( -2.487 -0.581 2.435) 3.529 2.801 ( -2.945 -0.201 -0.875) 3.079 2.957 ( 2.684 0.625 7.896) 8.363 3.119 ( 4.475 0.841 6.610) 8.027 3.220 ( -4.773 -0.796 3.411) 5.920 3.251 ( -4.992 -2.089 2.784) 6.085 3.347 ( -3.216 -2.433 12.109) 12.762 3.504 ( -0.852 0.752 -5.893) 6.002 3.754 ( -3.499 0.073 -4.999) 6.102 3.986 ( 6.621 0.349 10.508) 12.425 4.138 ( 0.243 0.120 3.313) 3.324 4.449 ( 16.770 1.537 5.073) 17.587 4.532 ( 5.860 -2.824 5.994) 8.846 4.819 ( -3.350 0.457 -7.783) 8.485 4.881 ( 3.022 2.264 3.982) 5.488 4.966 ( 0.192 -2.487 2.994) 3.897 5.177 ( 4.550 0.448 -0.774) 4.637 5.257 ( -11.906 1.246 -2.414) 12.213 5.377 ( 1.884 -0.343 4.767) 5.138 5.573 ( -0.344 1.492 1.064) 1.865 5.705 ( -1.072 -9.440 0.566) 9.517 5.996 ( 19.863 4.787 -11.801) 23.594 6.269 ( 13.695 1.253 0.317) 13.756 6.498 ( -6.603 -1.591 -3.046) 7.443 6.720 ( -4.811 0.755 5.648) 7.458 7.119 ( -10.153 2.703 -5.030) 11.649 7.835 ( -11.170 -0.978 3.710) 11.811 8.037 ( -11.737 -0.496 0.301) 11.751 8.179 ( 0.707 -1.715 -11.479) 11.628 8.325 ( 9.509 -0.319 -10.516) 14.182 8.622 ( 10.757 -0.598 -0.601) 10.790 9.268 ( -17.576 -0.966 1.442) 17.662 10.082 ( 6.155 5.809 8.394) 11.920 10.288 ( 10.436 -5.142 -4.200) 12.369 12.208 ( 7.417 -0.649 4.483) 8.691 12.411 ( -11.509 -0.772 -5.503) 12.780 12.653 ( 5.187 0.283 -0.776) 5.253 12.755 ( 2.503 0.464 -11.263) 11.547 13.122 ( 0.233 3.387 11.188) 11.691 13.241 ( 5.344 -3.308 4.938) 7.993 13.645 ( 0.610 2.057 -0.759) 2.276 13.662 ( 2.738 0.622 -0.965) 2.969 13.721 ( 1.953 -1.553 3.481) 4.283 13.984 ( 2.111 -0.779 -6.222) 6.617 14.981 ( 3.812 0.265 1.914) 4.274 15.172 ( -7.154 4.268 -5.721) 10.105 15.787 ( 0.024 -1.365 -7.335) 7.461 15.935 ( 1.652 -1.146 11.258) 11.436 16.086 ( -4.841 0.800 -0.760) 4.965 16.270 ( 0.309 -0.383 2.870) 2.912 18.454 ( 3.554 0.941 -4.167) 5.557 18.792 ( -4.932 -0.159 3.737) 6.190 24.129 ( -0.556 0.177 3.905) 3.949 24.152 ( 6.182 0.627 10.276) 12.009 25.809 ( 0.592 0.117 -4.510) 4.550 25.873 ( 1.018 -0.209 0.783) 1.301 26.606 ( -1.180 -0.705 -2.943) 3.248 26.670 ( 1.464 0.022 0.142) 1.471 27.207 ( -6.955 1.855 -17.863) 19.258 27.419 ( 11.134 -2.092 20.381) 23.318 28.046 ( 3.801 -1.586 -4.269) 5.932 28.605 ( 4.063 5.553 1.404) 7.023 28.738 ( -0.631 1.913 0.264) 2.031 28.877 ( 4.577 -7.318 1.398) 8.744 29.096 ( -4.962 -1.290 7.953) 9.462 29.861 ( -15.119 2.199 -13.253) 20.225 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -19.657 -5.617 5.017) 21.050 1.692 ( -19.257 -8.599 3.531) 21.383 2.156 ( 5.975 9.569 1.452) 11.375 2.247 ( 1.483 5.940 1.589) 6.325 2.477 ( 5.405 2.885 -2.917) 6.785 2.560 ( -0.968 2.053 -2.426) 3.322 2.648 ( -3.882 1.593 0.902) 4.292 2.684 ( -12.984 -6.093 0.641) 14.357 2.973 ( -1.650 0.791 -0.557) 1.913 3.140 ( -0.040 1.235 0.764) 1.453 3.225 ( -1.300 -0.800 1.445) 2.102 3.258 ( -2.300 -2.568 5.947) 6.873 3.406 ( -2.820 -3.205 10.496) 11.331 3.466 ( -4.183 0.509 5.945) 7.287 3.708 ( 3.186 -0.393 -7.692) 8.335 4.071 ( -1.653 -0.077 5.846) 6.076 4.176 ( -0.348 -1.122 6.419) 6.526 4.548 ( 2.845 4.710 7.574) 9.362 4.693 ( -7.421 1.635 -0.826) 7.643 4.771 ( 6.430 -0.186 4.506) 7.854 4.922 ( 0.587 -0.976 -0.243) 1.165 4.979 ( -0.975 -0.950 -3.503) 3.758 5.046 ( -8.632 -1.708 -1.555) 8.936 5.260 ( 6.139 1.773 2.549) 6.879 5.443 ( 3.839 1.191 4.313) 5.896 5.576 ( -0.218 -0.763 1.675) 1.854 5.800 ( -4.652 -11.905 1.678) 12.891 6.101 ( 12.179 9.379 -9.658) 18.154 6.326 ( -6.202 1.673 -3.371) 7.255 6.498 ( 11.002 -0.145 -3.005) 11.406 6.711 ( -0.028 -2.174 4.208) 4.736 6.911 ( -8.447 3.580 -3.117) 9.690 7.752 ( -2.494 0.704 -1.150) 2.835 7.879 ( -5.296 -1.366 -1.603) 5.700 8.206 ( 3.534 -4.617 -10.027) 11.590 8.387 ( 9.358 1.461 -12.210) 15.453 8.789 ( 11.620 -0.002 -2.764) 11.944 9.065 ( -14.221 -3.301 3.076) 14.919 10.112 ( 5.414 8.980 2.661) 10.818 10.480 ( 5.085 -5.348 6.604) 9.904 12.218 ( -10.858 -0.070 -5.216) 12.047 12.358 ( 8.483 -1.096 1.843) 8.750 12.658 ( 0.701 2.642 -6.647) 7.187 12.795 ( 7.587 -3.052 -6.084) 10.192 13.145 ( 0.703 4.788 10.691) 11.735 13.372 ( 2.579 -1.236 7.327) 7.866 13.598 ( 0.082 1.803 -1.369) 2.265 13.639 ( -1.675 -0.241 -2.593) 3.096 13.834 ( 3.003 2.517 5.021) 6.369 13.985 ( 2.487 0.077 -3.517) 4.308 14.923 ( -7.468 4.864 -6.648) 11.118 15.077 ( 3.102 -0.584 -0.294) 3.170 15.763 ( -0.598 0.125 -5.690) 5.723 15.986 ( -2.085 -0.303 3.398) 3.998 16.071 ( 0.169 -2.927 7.997) 8.517 16.289 ( -0.458 -0.848 1.618) 1.883 18.474 ( 4.547 1.992 -4.181) 6.491 18.743 ( -5.582 -0.908 4.816) 7.428 24.113 ( -4.571 -0.122 4.159) 6.181 24.290 ( 4.774 2.657 13.956) 14.987 25.810 ( 3.059 0.387 -4.023) 5.069 25.897 ( 1.536 0.366 1.049) 1.896 26.589 ( -0.670 -1.588 -2.709) 3.210 26.689 ( 1.137 0.382 0.106) 1.204 26.950 ( -8.506 3.275 -21.626) 23.469 27.673 ( 5.854 -0.463 17.492) 18.451 28.127 ( 5.681 -2.952 -3.719) 7.404 28.547 ( -1.770 7.370 1.615) 7.750 28.727 ( 0.148 -0.468 0.170) 0.519 28.949 ( -4.170 1.865 5.891) 7.455 29.224 ( 7.619 -12.600 0.442) 14.731 29.562 ( -10.011 1.291 -9.008) 13.529 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -22.371 -0.000 5.546) 23.049 1.580 ( -24.262 -0.000 3.369) 24.495 2.257 ( -0.214 -0.000 4.219) 4.225 2.352 ( 2.494 0.000 -5.796) 6.310 2.516 ( 6.074 0.000 -4.139) 7.351 2.554 ( -2.850 -0.000 -0.519) 2.897 2.618 ( -15.880 -0.000 2.113) 16.020 2.697 ( -1.766 -0.000 0.843) 1.957 2.991 ( -1.569 -0.000 0.598) 1.679 3.162 ( -3.527 -0.000 -3.563) 5.013 3.178 ( -4.117 -0.000 5.368) 6.765 3.223 ( 1.809 0.000 5.927) 6.196 3.363 ( -6.066 -0.000 22.145) 22.961 3.476 ( 0.241 0.000 -3.681) 3.689 3.705 ( 2.167 0.000 -7.100) 7.424 4.068 ( -1.688 -0.000 6.277) 6.500 4.159 ( 0.288 0.000 4.596) 4.605 4.586 ( 1.980 0.000 8.155) 8.392 4.712 ( -7.078 -0.000 -1.532) 7.242 4.783 ( 13.119 0.000 6.527) 14.653 4.934 ( 1.831 0.000 1.537) 2.390 4.942 ( -4.849 -0.000 -4.405) 6.551 5.039 ( -10.018 -0.000 -3.543) 10.626 5.283 ( 6.397 0.000 1.928) 6.681 5.469 ( 5.085 0.000 3.063) 5.936 5.557 ( -4.252 -0.000 2.293) 4.830 5.639 ( 2.698 0.000 -0.754) 2.802 6.213 ( 6.786 0.000 -8.924) 11.211 6.355 ( -2.665 -0.000 -6.940) 7.435 6.500 ( 16.298 0.000 -2.741) 16.527 6.705 ( -3.701 -0.000 8.995) 9.727 6.940 ( -11.725 -0.000 -4.635) 12.608 7.768 ( 1.415 0.000 1.424) 2.007 7.861 ( -8.560 -0.000 -2.203) 8.839 8.136 ( 2.854 0.000 -9.421) 9.843 8.403 ( 10.146 0.000 -12.240) 15.898 8.792 ( 13.619 0.000 -3.265) 14.005 9.018 ( -15.713 -0.000 1.231) 15.761 10.274 ( 1.877 0.000 18.963) 19.055 10.364 ( 9.800 0.000 -8.185) 12.768 12.216 ( -9.793 -0.000 -5.854) 11.409 12.344 ( 9.147 0.000 1.680) 9.301 12.705 ( -0.136 -0.000 -10.855) 10.856 12.743 ( 6.621 0.000 -0.373) 6.632 13.210 ( 0.881 0.000 10.358) 10.396 13.343 ( 6.181 0.000 5.703) 8.410 13.629 ( -0.354 -0.000 -2.495) 2.520 13.633 ( -4.386 -0.000 -1.037) 4.507 13.853 ( 8.342 0.000 4.907) 9.679 14.010 ( 3.810 0.000 -0.269) 3.819 15.039 ( -8.663 -0.000 -8.076) 11.843 15.047 ( 4.025 0.000 -0.868) 4.117 15.737 ( 1.041 0.000 -8.618) 8.680 16.008 ( -0.358 -0.000 12.832) 12.837 16.014 ( -5.081 -0.000 0.915) 5.163 16.278 ( -0.872 -0.000 2.089) 2.263 18.508 ( 5.807 0.000 -4.214) 7.175 18.725 ( -7.206 -0.000 5.370) 8.987 24.111 ( -4.717 -0.000 4.074) 6.233 24.328 ( 6.564 0.000 15.780) 17.090 25.814 ( 3.171 0.000 -4.061) 5.152 25.903 ( 2.042 0.000 1.689) 2.650 26.570 ( -0.552 -0.000 -3.037) 3.086 26.693 ( 1.454 0.000 -0.087) 1.457 27.001 ( -6.520 -0.000 -23.234) 24.131 27.667 ( 7.583 0.000 18.745) 20.221 28.085 ( 6.369 0.000 -4.806) 7.979 28.693 ( 1.903 0.000 0.650) 2.010 28.775 ( -0.129 -0.000 -0.654) 0.666 28.883 ( 5.370 0.000 2.685) 6.004 29.032 ( -7.690 -0.000 7.439) 10.699 29.583 ( -14.270 -0.000 -10.846) 17.924 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -24.254 -4.484 7.312) 25.726 1.295 ( -23.454 -9.486 6.587) 26.144 2.188 ( -17.762 -2.785 3.984) 18.415 2.334 ( -1.505 0.852 5.992) 6.236 2.416 ( -4.393 3.400 0.430) 5.572 2.479 ( -6.308 -0.918 -2.975) 7.035 2.566 ( 3.373 0.829 -3.029) 4.609 2.677 ( 0.990 3.057 -1.835) 3.700 2.927 ( -4.788 -0.317 -2.517) 5.418 3.103 ( -2.460 0.545 -2.312) 3.420 3.182 ( -1.992 -4.395 1.157) 4.962 3.251 ( -1.044 -0.459 2.910) 3.126 3.348 ( -17.527 -0.376 27.071) 32.252 3.464 ( 2.649 2.051 -5.234) 6.214 3.740 ( 5.797 -0.993 -4.603) 7.468 4.029 ( -5.407 -0.239 2.084) 5.799 4.188 ( -3.113 -0.054 8.542) 9.092 4.581 ( -11.006 0.300 4.968) 12.079 4.610 ( -5.517 2.339 0.536) 6.016 4.729 ( -7.490 0.153 -4.068) 8.525 4.906 ( 2.860 -0.931 3.869) 4.900 4.965 ( 1.912 2.848 -6.409) 7.269 5.046 ( 5.720 -2.348 -1.900) 6.469 5.382 ( 4.631 1.329 6.680) 8.236 5.483 ( -3.669 0.427 2.746) 4.602 5.559 ( -0.290 -3.664 2.820) 4.632 5.731 ( 6.142 -0.866 0.479) 6.221 6.084 ( -11.823 -0.643 -1.241) 11.906 6.329 ( 3.487 7.386 -11.739) 14.301 6.675 ( 7.882 1.811 -4.440) 9.226 6.700 ( -3.614 -0.516 1.511) 3.951 6.801 ( -1.536 -4.273 1.334) 4.732 7.784 ( 4.436 2.642 -4.003) 6.533 7.862 ( 6.782 -1.172 -1.757) 7.103 8.157 ( 3.937 -3.497 -9.453) 10.821 8.504 ( 13.921 0.986 -10.757) 17.621 8.826 ( -11.386 -1.265 2.066) 11.641 8.985 ( 14.043 -1.014 -5.503) 15.117 10.303 ( 1.067 9.132 8.196) 12.317 10.501 ( 1.612 -6.175 5.557) 8.462 12.055 ( -7.571 0.383 -4.233) 8.683 12.488 ( 9.359 0.508 -0.971) 9.423 12.638 ( 0.234 0.621 -8.030) 8.057 12.851 ( 6.730 -1.624 -0.943) 6.987 13.276 ( 2.355 2.650 9.496) 10.136 13.445 ( 1.628 1.218 5.485) 5.850 13.551 ( -4.421 -1.490 -2.725) 5.403 13.630 ( 2.569 -0.259 -2.115) 3.338 13.974 ( 4.019 5.354 6.867) 9.591 14.038 ( 2.336 4.805 2.479) 5.890 14.824 ( -7.511 4.925 -8.923) 12.661 15.103 ( 3.559 -1.595 -2.798) 4.800 15.722 ( 1.036 -1.624 -6.924) 7.187 15.951 ( -4.031 -0.415 3.192) 5.159 16.091 ( 0.068 -3.108 10.599) 11.045 16.271 ( -1.843 -0.685 1.349) 2.385 18.552 ( 3.913 3.262 -2.438) 5.647 18.665 ( -5.386 -2.709 4.503) 7.525 24.043 ( -7.594 -0.145 4.426) 8.791 24.506 ( 5.284 5.095 21.644) 22.855 25.852 ( 4.915 0.205 -3.590) 6.089 25.940 ( 2.023 0.840 1.130) 2.464 26.557 ( 0.324 -0.669 -2.852) 2.947 26.702 ( -1.916 1.909 -7.390) 7.869 26.731 ( -6.280 1.777 -19.722) 20.774 27.848 ( 4.987 0.809 14.156) 15.031 28.161 ( 4.698 -1.039 -3.300) 5.835 28.629 ( -3.678 13.161 1.380) 13.735 28.731 ( 0.591 -0.028 0.533) 0.796 28.928 ( -5.614 1.745 5.079) 7.769 29.126 ( 0.877 -13.615 -1.892) 13.774 29.392 ( -1.676 -9.708 -5.209) 11.144 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -26.318 -0.000 10.717) 28.416 0.913 ( -25.164 -0.000 13.222) 28.426 1.751 ( -40.720 -0.000 19.327) 45.074 2.322 ( -2.812 -0.000 5.592) 6.259 2.351 ( -6.089 -0.000 -3.390) 6.969 2.501 ( 6.450 0.000 -4.933) 8.120 2.576 ( -2.943 -0.000 0.387) 2.968 2.715 ( 5.039 0.000 -4.998) 7.097 2.787 ( -10.617 -0.000 -0.752) 10.644 3.055 ( -15.589 -0.000 9.589) 18.302 3.080 ( -4.947 -0.000 2.814) 5.691 3.227 ( -5.781 -0.000 6.756) 8.892 3.244 ( -1.644 -0.000 1.914) 2.523 3.513 ( 5.541 0.000 -6.502) 8.543 3.794 ( 4.297 0.000 -0.900) 4.390 3.973 ( -2.957 -0.000 1.435) 3.287 4.143 ( -12.061 -0.000 11.148) 16.424 4.435 ( -3.793 -0.000 -1.039) 3.933 4.581 ( -5.955 -0.000 3.561) 6.938 4.600 ( -5.581 -0.000 1.181) 5.705 4.955 ( 0.477 0.000 -10.374) 10.385 5.007 ( 6.971 0.000 2.749) 7.494 5.075 ( 3.945 0.000 -5.835) 7.043 5.441 ( -5.204 -0.000 4.571) 6.927 5.479 ( 3.545 0.000 2.636) 4.418 5.580 ( 1.648 0.000 6.997) 7.188 5.841 ( 7.125 0.000 1.371) 7.256 5.905 ( -10.136 -0.000 1.344) 10.224 6.342 ( 0.453 0.000 -13.242) 13.250 6.496 ( -14.238 -0.000 -3.735) 14.720 6.740 ( -1.790 -0.000 8.232) 8.425 6.853 ( 7.956 0.000 -5.215) 9.513 7.902 ( 10.215 0.000 -1.459) 10.319 7.922 ( 3.965 0.000 -8.124) 9.040 8.149 ( 4.864 0.000 -7.495) 8.935 8.675 ( -8.222 -0.000 2.015) 8.465 8.705 ( 18.608 0.000 -7.880) 20.207 9.173 ( 16.469 0.000 -8.190) 18.393 10.401 ( -8.718 -0.000 15.330) 17.635 10.467 ( 1.347 0.000 -2.256) 2.628 11.952 ( -4.467 -0.000 -1.357) 4.669 12.611 ( 1.987 0.000 -4.945) 5.329 12.627 ( 8.969 0.000 -2.999) 9.458 12.941 ( 7.053 0.000 -0.806) 7.099 13.327 ( -7.845 -0.000 9.146) 12.050 13.473 ( 3.924 0.000 -6.452) 7.552 13.513 ( 0.996 0.000 2.666) 2.846 13.654 ( 2.177 0.000 -1.056) 2.419 14.069 ( 2.604 0.000 2.904) 3.901 14.228 ( 6.067 0.000 9.899) 11.610 14.712 ( -3.943 -0.000 -8.306) 9.195 15.127 ( 3.808 0.000 -3.583) 5.229 15.680 ( 0.208 0.000 -4.444) 4.449 15.912 ( -2.836 -0.000 2.845) 4.017 16.129 ( 0.493 0.000 8.108) 8.123 16.240 ( -2.418 -0.000 0.999) 2.616 18.550 ( -8.586 -0.000 6.116) 10.541 18.655 ( 6.094 0.000 -3.270) 6.916 23.948 ( -8.056 -0.000 4.517) 9.236 24.817 ( 10.637 0.000 24.915) 27.090 25.909 ( 5.091 0.000 -3.487) 6.171 25.974 ( 1.069 0.000 -0.805) 1.339 26.399 ( -12.478 -0.000 -26.358) 29.162 26.576 ( 1.206 0.000 -1.244) 1.732 26.720 ( 0.505 0.000 -0.317) 0.597 27.998 ( 5.323 0.000 9.941) 11.277 28.183 ( -0.029 -0.000 -2.335) 2.335 28.746 ( 1.806 0.000 0.470) 1.866 28.753 ( -0.612 -0.000 -1.015) 1.185 28.884 ( -5.279 -0.000 3.885) 6.554 28.979 ( -2.754 -0.000 -2.764) 3.901 29.231 ( -1.075 -0.000 -1.949) 2.226 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -9.038 -0.000 25.468) 27.024 1.139 ( 0.953 0.000 23.236) 23.256 1.925 ( -1.233 -0.000 -13.245) 13.302 1.990 ( 1.703 0.000 -15.564) 15.657 2.132 ( -3.401 -0.000 30.482) 30.671 2.494 ( -4.741 -0.000 8.218) 9.488 2.624 ( 4.684 0.000 4.647) 6.598 2.713 ( 5.019 0.000 5.525) 7.464 2.927 ( -2.210 -0.000 0.051) 2.211 2.965 ( -10.580 -0.000 8.460) 13.546 2.974 ( -9.660 -0.000 -1.702) 9.809 3.142 ( 2.619 0.000 -6.458) 6.969 3.255 ( 11.019 0.000 -1.001) 11.065 3.313 ( 2.105 0.000 -15.012) 15.159 3.835 ( -9.843 -0.000 9.199) 13.472 3.934 ( -7.076 -0.000 1.623) 7.260 4.000 ( 7.707 0.000 1.469) 7.846 4.320 ( -2.614 -0.000 -8.629) 9.016 4.537 ( -0.449 -0.000 8.027) 8.040 4.798 ( -6.782 -0.000 15.770) 17.166 4.886 ( 1.696 0.000 -7.854) 8.035 5.219 ( 3.971 0.000 -1.737) 4.334 5.419 ( 5.584 0.000 1.485) 5.778 5.518 ( -0.611 -0.000 7.196) 7.222 5.561 ( -5.637 -0.000 -2.018) 5.987 5.679 ( 0.661 0.000 1.272) 1.433 5.936 ( -0.614 -0.000 9.875) 9.894 5.977 ( -16.184 -0.000 8.849) 18.445 6.348 ( 10.336 0.000 -0.245) 10.339 6.382 ( 17.530 0.000 -4.513) 18.102 6.667 ( -4.612 -0.000 -1.959) 5.011 6.708 ( 3.358 0.000 -8.864) 9.478 7.958 ( 2.560 0.000 -5.677) 6.227 8.057 ( 5.522 0.000 -1.122) 5.635 8.210 ( 4.497 0.000 -0.873) 4.581 8.545 ( 2.430 0.000 -22.121) 22.254 8.715 ( -4.881 -0.000 10.248) 11.351 9.246 ( 10.612 0.000 -13.297) 17.013 10.251 ( -11.767 -0.000 7.431) 13.917 10.461 ( 3.695 0.000 -1.710) 4.071 12.070 ( 2.407 0.000 8.332) 8.673 12.514 ( 0.262 0.000 -11.227) 11.231 12.753 ( 0.818 0.000 4.677) 4.748 12.874 ( -11.890 -0.000 -2.014) 12.060 13.194 ( 8.645 0.000 -2.897) 9.117 13.239 ( -9.869 -0.000 -7.213) 12.224 13.613 ( -1.122 -0.000 1.751) 2.080 13.627 ( 1.690 0.000 1.140) 2.038 13.945 ( -4.514 -0.000 2.214) 5.028 14.001 ( -3.775 -0.000 -2.314) 4.428 15.014 ( -3.473 -0.000 8.204) 8.908 15.228 ( 6.542 0.000 -1.298) 6.669 15.759 ( 9.280 0.000 0.404) 9.289 15.786 ( -10.280 -0.000 -2.394) 10.556 15.998 ( -2.359 -0.000 5.877) 6.333 16.182 ( 0.692 0.000 -1.680) 1.816 18.485 ( -7.866 -0.000 5.137) 9.395 18.693 ( 6.737 0.000 -3.749) 7.710 23.954 ( -1.716 -0.000 6.378) 6.605 24.130 ( -9.293 -0.000 -0.769) 9.325 25.880 ( -1.295 -0.000 -3.593) 3.819 25.885 ( 1.697 0.000 -3.719) 4.088 26.649 ( -0.173 -0.000 2.126) 2.133 26.727 ( 0.955 0.000 -0.807) 1.251 27.571 ( 32.923 0.000 3.149) 33.073 27.768 ( -15.180 -0.000 -6.405) 16.476 28.460 ( 4.340 0.000 7.648) 8.794 28.659 ( -12.458 -0.000 -0.748) 12.480 28.729 ( 1.075 0.000 -0.693) 1.279 28.775 ( -2.068 -0.000 -3.853) 4.373 28.861 ( -2.729 -0.000 2.019) 3.395 28.932 ( 2.944 0.000 -0.831) 3.059 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 3.733 -6.500 22.740) 23.943 1.451 ( 14.079 -7.483 19.100) 24.880 1.907 ( 9.203 0.464 -14.505) 17.185 1.994 ( 8.343 -4.277 -17.670) 20.003 2.334 ( 1.582 -4.010 21.732) 22.155 2.480 ( -3.822 -0.950 15.252) 15.752 2.707 ( 1.426 3.543 2.015) 4.319 2.776 ( 1.049 1.173 3.010) 3.396 2.858 ( -6.657 0.051 4.938) 8.289 2.878 ( 0.117 1.316 -2.534) 2.858 2.946 ( 3.648 -5.292 5.814) 8.667 3.180 ( 3.419 -0.579 -4.757) 5.887 3.270 ( 3.959 -2.027 -12.134) 12.924 3.508 ( 21.607 -0.051 -1.942) 21.695 3.778 ( -7.439 0.795 11.859) 14.022 3.826 ( -7.735 -1.820 1.437) 8.075 4.121 ( 6.994 0.147 2.242) 7.346 4.278 ( 1.396 -1.633 -6.829) 7.159 4.583 ( -0.294 -1.473 7.430) 7.580 4.780 ( -6.900 0.464 15.134) 16.640 4.866 ( 0.611 -1.652 -6.292) 6.533 5.229 ( 1.314 3.267 -2.933) 4.582 5.367 ( -15.127 2.282 -1.033) 15.333 5.372 ( -1.838 6.270 -1.061) 6.619 5.588 ( 1.940 0.219 6.368) 6.661 5.652 ( -8.377 -0.803 2.630) 8.817 5.854 ( -2.277 4.056 5.982) 7.577 5.993 ( 0.459 -1.290 8.614) 8.722 6.425 ( 7.835 6.853 -2.528) 10.711 6.507 ( 2.446 -3.425 -8.185) 9.203 6.673 ( 3.266 1.265 -5.157) 6.234 6.812 ( 10.658 -6.320 -3.189) 12.795 7.959 ( 2.268 0.019 -6.319) 6.714 8.079 ( -2.184 -0.968 -4.321) 4.938 8.212 ( -4.904 -1.095 -0.415) 5.042 8.395 ( -2.107 2.517 -20.622) 20.882 8.704 ( -3.945 0.366 8.856) 9.702 9.308 ( 8.450 -0.412 -14.523) 16.808 10.125 ( -11.546 1.859 9.034) 14.777 10.516 ( 6.071 1.854 0.193) 6.350 12.163 ( 3.892 0.528 8.412) 9.284 12.438 ( -0.534 0.359 -12.096) 12.113 12.652 ( -11.910 1.948 5.107) 13.104 12.729 ( -10.819 -3.502 1.063) 11.421 13.187 ( 7.439 2.128 -5.605) 9.554 13.265 ( 3.041 0.975 1.452) 3.508 13.585 ( -2.053 0.307 -1.039) 2.322 13.661 ( 1.782 0.757 2.392) 3.077 13.884 ( -3.961 2.331 3.801) 5.964 13.955 ( -3.270 -2.608 -0.024) 4.182 15.003 ( -1.257 1.127 6.831) 7.037 15.279 ( 2.689 4.540 -3.192) 6.167 15.672 ( -4.271 -2.230 -2.769) 5.557 15.906 ( 9.887 1.265 2.002) 10.166 16.015 ( -1.426 -1.789 5.148) 5.633 16.204 ( 1.873 -1.923 -1.380) 3.018 18.415 ( -5.384 -0.400 3.527) 6.449 18.769 ( 5.507 -0.023 -2.339) 5.983 24.015 ( 4.040 -0.284 8.195) 9.141 24.092 ( 1.518 -0.284 2.430) 2.880 25.827 ( -2.938 0.355 -3.548) 4.620 25.874 ( -0.104 0.077 -2.593) 2.596 26.654 ( -0.585 -0.115 1.961) 2.050 26.730 ( 0.349 0.469 -1.299) 1.425 27.462 ( -17.100 2.238 -10.168) 20.020 27.909 ( 19.334 6.054 -1.614) 20.324 28.255 ( -9.625 20.943 10.150) 25.185 28.531 ( 3.406 6.130 4.062) 8.104 28.745 ( -1.616 -3.392 0.894) 3.862 28.860 ( -1.757 -4.784 2.343) 5.610 28.966 ( 4.896 -10.536 -3.345) 12.089 29.085 ( 3.258 -17.609 -6.627) 19.094 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 9.636 -6.990 16.360) 20.232 1.825 ( 10.675 -6.769 14.443) 19.193 1.973 ( 9.361 -0.293 -13.539) 16.463 2.113 ( 10.278 -5.820 -13.463) 17.910 2.355 ( -5.304 1.129 5.366) 7.629 2.509 ( -7.635 3.328 5.728) 10.109 2.762 ( -3.012 0.075 2.086) 3.665 2.796 ( 3.068 -2.377 10.405) 11.105 2.877 ( 3.922 -3.703 3.382) 6.367 2.934 ( 9.978 -1.678 0.215) 10.121 3.073 ( 4.024 -2.541 -4.954) 6.870 3.165 ( 0.710 0.342 -2.721) 2.833 3.372 ( 3.277 -3.450 4.546) 6.580 3.671 ( -3.212 -0.141 -6.661) 7.396 3.762 ( 3.917 -0.368 3.213) 5.080 3.915 ( 13.744 -1.657 14.683) 20.180 4.238 ( 7.116 0.611 4.208) 8.289 4.311 ( 2.917 -1.784 -1.277) 3.650 4.657 ( 2.456 -1.833 7.180) 7.807 4.769 ( -5.360 -1.148 12.303) 13.469 4.881 ( 0.759 -2.389 -5.125) 5.705 5.073 ( -14.833 -1.637 -3.232) 15.269 5.205 ( 3.980 6.055 -3.216) 7.928 5.270 ( -0.431 5.623 -4.579) 7.264 5.540 ( -10.427 -0.769 5.670) 11.894 5.643 ( 1.664 0.856 5.679) 5.979 5.798 ( -1.449 7.702 6.556) 10.218 6.078 ( 2.636 -1.574 6.017) 6.755 6.415 ( 3.876 6.158 -4.549) 8.581 6.521 ( -0.018 -3.752 -9.593) 10.301 6.680 ( 2.833 0.503 -2.136) 3.583 6.957 ( 4.748 0.540 -3.309) 5.812 7.956 ( 0.492 -1.794 -6.715) 6.968 7.974 ( -8.240 -1.811 -6.664) 10.751 8.090 ( -12.138 -1.187 -0.047) 12.196 8.225 ( -0.813 2.767 -18.828) 19.048 8.697 ( -1.093 1.343 6.299) 6.533 9.351 ( 6.457 -1.838 -12.497) 14.186 9.951 ( -14.160 3.838 9.523) 17.491 10.602 ( 7.526 2.770 3.630) 8.803 12.253 ( 3.508 1.246 5.150) 6.355 12.380 ( 0.982 -1.661 -10.222) 10.403 12.542 ( -3.590 -0.215 0.191) 3.602 12.617 ( -9.809 -2.493 1.614) 10.248 13.214 ( -0.316 2.317 5.336) 5.826 13.331 ( 4.941 -1.039 -1.275) 5.208 13.551 ( 0.528 1.031 -2.259) 2.538 13.671 ( 0.274 2.839 0.643) 2.924 13.857 ( 1.904 1.089 2.324) 3.196 13.939 ( -4.053 -1.752 2.573) 5.111 15.028 ( 0.054 0.100 4.785) 4.787 15.151 ( -4.052 7.864 -5.610) 10.475 15.658 ( -1.991 -4.502 -4.315) 6.546 16.020 ( 2.264 1.071 5.469) 6.015 16.075 ( 6.914 -0.024 2.729) 7.433 16.259 ( 2.173 -2.491 -0.198) 3.312 18.372 ( -2.567 0.174 1.346) 2.904 18.823 ( 2.676 -0.168 -0.512) 2.729 24.152 ( 5.382 0.105 5.930) 8.008 24.171 ( 6.021 -0.456 8.083) 10.089 25.753 ( -2.938 0.528 -3.626) 4.697 25.862 ( -0.312 -0.560 -1.146) 1.313 26.662 ( -0.094 -0.285 1.734) 1.760 26.705 ( -1.122 1.217 -2.212) 2.763 27.115 ( -15.711 2.598 -14.437) 21.495 27.994 ( -8.909 0.224 6.171) 10.840 28.084 ( 14.454 16.173 5.356) 22.342 28.513 ( 2.102 5.440 0.810) 5.888 28.750 ( -0.980 -0.454 0.550) 1.212 28.929 ( -2.983 -7.427 5.564) 9.748 29.131 ( 7.147 -5.278 -1.595) 9.027 29.268 ( 2.630 -12.956 -8.990) 15.987 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 11.266 -5.996 10.483) 16.515 2.000 ( 1.246 1.214 -7.608) 7.804 2.094 ( 7.164 -4.316 10.398) 13.344 2.211 ( 2.355 -2.166 -5.302) 6.193 2.312 ( -5.826 0.615 5.830) 8.265 2.369 ( -0.586 3.224 0.013) 3.277 2.672 ( -4.346 1.998 -4.169) 6.345 2.876 ( 1.998 -1.271 1.757) 2.949 2.997 ( -2.666 -3.277 -12.156) 12.869 3.022 ( -0.503 -2.028 4.397) 4.868 3.095 ( 3.430 -1.993 -2.785) 4.847 3.296 ( 11.645 -0.892 6.265) 13.253 3.380 ( -5.390 -1.662 -0.361) 5.652 3.671 ( 3.896 -0.703 -4.094) 5.695 3.798 ( -0.724 1.062 9.740) 9.824 4.252 ( 8.983 -5.349 17.800) 20.643 4.323 ( 2.422 -0.583 0.052) 2.492 4.377 ( -1.519 0.658 14.698) 14.791 4.757 ( -4.137 -0.390 -4.030) 5.789 4.790 ( -5.027 -1.937 2.749) 6.048 4.830 ( 10.982 -0.331 6.288) 12.658 4.992 ( -0.786 -2.103 -2.428) 3.307 5.167 ( -0.643 3.686 -6.400) 7.414 5.260 ( 5.831 -0.141 -7.883) 9.806 5.454 ( -6.348 -2.400 11.529) 13.378 5.680 ( -0.715 1.134 6.587) 6.722 5.734 ( 1.884 6.572 4.982) 8.460 6.170 ( 4.339 -1.581 1.474) 4.848 6.338 ( -0.148 8.422 -3.740) 9.216 6.459 ( -4.718 -0.603 -7.899) 9.220 6.725 ( 1.053 -3.746 -1.345) 4.117 6.909 ( -1.308 6.555 -1.698) 6.896 7.813 ( -11.750 -3.255 -3.386) 12.654 7.919 ( -4.519 1.125 -4.715) 6.627 7.973 ( 0.860 -3.423 -10.096) 10.695 8.093 ( 0.282 2.056 -16.360) 16.491 8.719 ( 2.599 1.375 2.771) 4.040 9.388 ( -0.131 -2.102 -4.215) 4.712 9.773 ( -7.709 1.602 4.077) 8.867 10.709 ( 6.471 2.686 7.592) 10.331 12.255 ( -3.735 -0.749 -6.953) 7.928 12.386 ( 2.055 0.686 2.011) 2.956 12.503 ( -3.080 -1.373 -2.857) 4.420 12.577 ( 4.013 -0.949 -2.562) 4.855 13.222 ( -4.134 -2.115 10.461) 11.445 13.388 ( 0.162 -3.130 0.615) 3.194 13.560 ( 4.424 1.995 -2.483) 5.451 13.626 ( -0.237 3.602 0.495) 3.644 13.860 ( -4.044 -0.500 -3.445) 5.336 13.959 ( 5.641 2.135 6.411) 8.802 14.922 ( -7.234 4.369 -6.918) 10.921 15.093 ( 2.049 0.732 2.905) 3.629 15.641 ( -3.196 -3.905 -5.209) 7.253 16.054 ( 1.290 1.232 3.970) 4.353 16.193 ( 5.524 0.783 4.233) 7.003 16.311 ( 1.309 -1.448 0.725) 2.082 18.353 ( 0.338 0.322 -0.814) 0.938 18.845 ( -0.348 -0.171 1.279) 1.336 24.222 ( 1.309 0.086 3.874) 4.090 24.345 ( 6.559 -0.330 12.983) 14.549 25.701 ( -0.606 -0.108 -3.806) 3.855 25.869 ( 0.643 -0.805 0.099) 1.035 26.647 ( -1.839 1.989 -2.858) 3.938 26.674 ( -0.245 -0.181 0.055) 0.309 26.793 ( -12.302 1.113 -15.179) 19.570 27.919 ( -4.727 0.890 8.937) 10.149 28.154 ( 8.936 7.340 1.570) 11.671 28.486 ( 0.440 2.487 -0.242) 2.537 28.743 ( -0.264 0.238 0.091) 0.367 28.986 ( -5.114 -6.413 6.554) 10.499 29.256 ( 0.243 -6.796 -2.372) 7.202 29.385 ( 10.200 -0.367 -6.649) 12.181 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -10.249 5.394 1.277) 11.652 1.964 ( 9.361 -2.064 6.077) 11.350 2.063 ( -10.366 6.556 5.907) 13.614 2.303 ( 3.588 -1.230 9.794) 10.502 2.321 ( 6.607 -4.510 -3.736) 8.829 2.429 ( 2.934 -2.467 -3.617) 5.270 2.563 ( -3.434 0.570 -5.104) 6.178 2.832 ( -7.886 0.545 -5.107) 9.411 2.893 ( -5.539 -1.086 -0.645) 5.682 3.088 ( 2.143 -1.495 -1.737) 3.138 3.118 ( 4.360 1.775 -5.415) 7.175 3.302 ( -4.115 -1.088 0.208) 4.262 3.501 ( 9.525 -0.204 -0.466) 9.538 3.655 ( -3.031 3.374 2.861) 5.362 3.863 ( 1.382 -0.691 9.372) 9.498 4.322 ( -14.929 -0.403 20.803) 25.609 4.355 ( -0.263 -1.352 2.897) 3.208 4.514 ( 4.911 -0.926 8.658) 9.997 4.642 ( -7.014 -3.301 -0.465) 7.766 4.786 ( -6.047 -4.338 -0.318) 7.449 4.947 ( -1.881 1.063 -0.406) 2.198 4.998 ( 2.066 0.473 1.656) 2.690 5.151 ( -6.589 4.872 -1.967) 8.427 5.248 ( 13.483 -1.741 2.000) 13.741 5.520 ( -0.476 -2.422 3.999) 4.700 5.662 ( -1.578 2.615 3.930) 4.978 5.825 ( 7.014 -4.099 2.725) 8.569 6.144 ( -7.798 10.846 0.259) 13.361 6.224 ( -2.435 -0.806 -2.994) 3.943 6.386 ( 2.610 -1.916 -5.715) 6.569 6.741 ( -4.591 -4.104 -1.610) 6.365 6.847 ( 4.722 5.508 0.745) 7.293 7.700 ( -3.275 -0.097 -0.861) 3.388 7.864 ( 0.907 0.221 -2.506) 2.674 7.985 ( 3.328 -0.316 -16.801) 17.130 8.009 ( 6.969 -0.733 -14.746) 16.326 8.774 ( 5.566 0.695 -0.496) 5.631 9.278 ( -12.562 4.151 6.217) 14.618 9.816 ( 7.079 -7.960 -4.540) 11.579 10.802 ( 2.594 2.219 9.167) 9.782 12.112 ( -8.850 0.097 -5.015) 10.173 12.427 ( 2.686 1.269 1.186) 3.199 12.488 ( 1.332 -1.116 -2.721) 3.229 12.670 ( 10.014 -0.528 -7.603) 12.584 13.256 ( -5.272 -4.951 10.759) 12.964 13.440 ( -0.702 -5.388 2.807) 6.115 13.565 ( -2.439 -3.326 -2.040) 4.601 13.632 ( 7.237 6.120 1.278) 9.563 13.753 ( -7.792 0.002 -2.352) 8.139 14.058 ( 6.861 2.759 2.974) 7.970 14.751 ( -5.682 1.377 -5.335) 7.915 15.128 ( 2.539 1.483 0.993) 3.103 15.606 ( -2.931 -3.225 -4.567) 6.313 16.075 ( 1.016 1.708 3.117) 3.696 16.257 ( 1.497 1.108 3.710) 4.151 16.335 ( 0.033 0.020 0.993) 0.994 18.369 ( 3.127 -0.418 -2.451) 3.995 18.832 ( -2.978 0.027 2.647) 3.984 24.228 ( -3.567 0.464 4.928) 6.101 24.508 ( 2.844 -2.916 12.468) 13.117 25.698 ( 2.463 -0.876 -4.128) 4.887 25.898 ( 1.844 -0.339 0.399) 1.917 26.514 ( -9.255 0.615 -13.607) 16.468 26.585 ( -1.191 1.484 -2.626) 3.243 26.703 ( 0.115 -0.354 0.714) 0.805 27.930 ( -0.601 -1.350 6.745) 6.905 28.189 ( 3.961 4.400 1.334) 6.068 28.467 ( -1.585 -1.040 -0.292) 1.918 28.739 ( 0.246 0.332 0.048) 0.416 28.998 ( -7.128 -4.922 6.189) 10.646 29.259 ( -5.555 -3.661 -1.884) 6.914 29.510 ( 16.804 7.592 -7.137) 19.772 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -16.504 7.640 8.563) 20.102 1.782 ( -12.747 13.504 9.133) 20.694 2.181 ( 6.751 -4.347 -3.635) 8.814 2.367 ( -0.125 2.472 2.500) 3.518 2.399 ( -3.704 0.028 0.823) 3.794 2.451 ( 4.738 -3.200 -2.545) 6.259 2.559 ( 1.553 -2.827 -0.638) 3.288 2.683 ( -8.461 3.315 2.551) 9.439 2.805 ( -4.803 -2.257 -1.487) 5.511 3.025 ( -1.471 5.245 -6.542) 8.513 3.180 ( 3.803 -2.114 -3.474) 5.568 3.297 ( 1.666 -0.192 1.043) 1.975 3.480 ( -8.067 5.925 3.565) 10.625 3.667 ( 6.890 -0.624 -2.283) 7.285 3.932 ( -3.326 -0.665 13.691) 14.105 4.102 ( -27.736 -0.387 12.297) 30.342 4.384 ( -0.320 -1.110 2.610) 2.854 4.508 ( -8.719 1.325 5.033) 10.154 4.675 ( -1.383 -5.493 5.810) 8.114 4.703 ( -7.609 -2.455 1.199) 8.085 4.927 ( -2.287 5.510 0.261) 5.972 4.951 ( 0.061 -1.575 1.373) 2.091 5.059 ( 2.224 4.342 -3.849) 6.214 5.424 ( 5.026 -1.388 -1.003) 5.310 5.598 ( 4.453 -1.931 2.947) 5.678 5.610 ( -4.760 -0.106 3.655) 6.002 5.911 ( -1.813 2.445 1.321) 3.318 6.003 ( -2.733 -4.117 5.115) 7.112 6.116 ( -8.965 0.290 1.170) 9.046 6.466 ( 5.519 -2.585 -8.239) 10.248 6.700 ( -0.498 2.152 -1.829) 2.868 6.891 ( 3.696 0.321 0.706) 3.776 7.724 ( 7.662 1.685 0.981) 7.906 7.885 ( 4.413 1.672 -2.010) 5.129 7.940 ( 3.476 -0.383 -11.782) 12.290 8.131 ( 17.544 -2.234 -17.418) 24.823 8.857 ( 6.597 -0.225 -2.451) 7.041 9.068 ( -10.683 5.700 6.107) 13.562 10.031 ( 8.336 -11.167 -4.288) 14.580 10.809 ( -4.661 2.522 6.301) 8.234 11.989 ( -5.077 -0.434 -0.042) 5.095 12.454 ( 2.882 -0.011 -0.824) 2.997 12.521 ( 3.579 0.084 -2.813) 4.553 12.780 ( 11.148 0.935 -8.374) 13.974 13.301 ( -3.005 -4.857 4.780) 7.448 13.495 ( -1.069 -1.996 1.891) 2.950 13.580 ( -5.793 -1.947 3.511) 7.048 13.653 ( -7.565 -13.509 -0.140) 15.483 13.664 ( 4.864 4.614 -1.517) 6.874 14.118 ( 3.845 2.494 0.480) 4.608 14.677 ( -0.748 0.080 0.120) 0.761 15.141 ( 2.378 2.845 -0.255) 3.716 15.589 ( -0.597 -2.559 -3.544) 4.412 16.076 ( -0.345 2.262 3.382) 4.083 16.256 ( -1.539 1.357 1.459) 2.517 16.321 ( -1.458 1.369 0.145) 2.005 18.426 ( 5.103 -1.583 -3.282) 6.271 18.786 ( -5.109 0.488 3.411) 6.162 24.168 ( -7.411 0.627 5.631) 9.328 24.629 ( -3.467 -8.029 6.947) 11.169 25.740 ( 4.389 -1.504 -4.609) 6.540 25.926 ( 2.342 0.876 -0.987) 2.688 26.346 ( -4.575 0.023 -3.692) 5.879 26.560 ( 1.066 0.760 -0.578) 1.432 26.713 ( 0.377 -0.073 0.372) 0.535 28.000 ( 2.790 -1.964 3.797) 5.105 28.188 ( -0.624 0.955 1.622) 1.983 28.459 ( -3.985 -4.498 0.418) 6.024 28.744 ( 0.783 0.184 0.223) 0.834 28.965 ( -7.651 -3.141 4.681) 9.504 29.172 ( -6.767 1.518 -0.021) 6.935 29.597 ( 17.845 13.589 -11.236) 25.087 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -17.564 7.241 15.179) 24.318 1.463 ( -15.281 15.898 13.638) 25.928 2.174 ( -3.310 -2.360 -14.913) 15.457 2.282 ( -7.491 2.820 -3.359) 8.680 2.334 ( -7.895 6.998 13.832) 17.396 2.520 ( -3.296 0.120 4.243) 5.374 2.543 ( -1.935 -0.578 3.915) 4.405 2.634 ( 3.458 -2.552 3.178) 5.345 2.845 ( 2.287 -2.037 0.659) 3.133 2.900 ( 0.532 2.443 -8.580) 8.937 3.188 ( -3.097 1.926 -3.236) 4.876 3.302 ( -3.922 2.812 5.832) 7.570 3.356 ( 2.059 0.113 -3.970) 4.473 3.648 ( -36.170 -0.978 17.212) 40.069 3.772 ( 6.036 -0.552 -2.422) 6.528 3.994 ( 0.208 -0.228 2.218) 2.239 4.266 ( -17.264 1.248 -0.475) 17.316 4.433 ( -2.724 -1.301 9.301) 9.779 4.685 ( -2.576 0.146 -0.169) 2.586 4.741 ( -2.994 -2.779 7.110) 8.200 4.825 ( 0.377 3.057 -0.513) 3.122 5.015 ( 7.665 2.189 -0.427) 7.983 5.056 ( 5.610 1.410 -1.430) 5.959 5.478 ( 5.413 -0.086 -6.003) 8.083 5.544 ( -6.886 -1.554 7.847) 10.555 5.712 ( 1.635 -2.705 2.410) 3.974 5.929 ( 3.195 -0.366 6.560) 7.306 5.983 ( -9.611 -1.460 4.010) 10.516 6.070 ( -2.037 -5.649 3.926) 7.174 6.444 ( -5.706 -0.343 -4.064) 7.014 6.683 ( 5.363 2.787 -6.091) 8.581 6.912 ( -0.507 1.434 -1.349) 2.034 7.866 ( 10.949 2.080 1.671) 11.269 7.920 ( 4.167 0.622 -3.690) 5.600 7.969 ( 8.549 0.958 -6.512) 10.790 8.344 ( 18.564 -3.223 -16.331) 24.934 8.848 ( -7.624 3.337 7.203) 11.007 9.020 ( 9.885 0.610 -6.439) 11.813 10.236 ( 4.627 -10.076 -2.598) 11.388 10.678 ( -11.184 3.080 2.284) 11.823 11.967 ( -1.410 -0.885 4.326) 4.635 12.522 ( 5.473 -1.330 -0.968) 5.714 12.552 ( 4.161 0.221 -4.278) 5.972 12.884 ( 10.980 1.696 -6.352) 12.798 13.278 ( -7.151 -1.576 -4.611) 8.653 13.498 ( -4.425 -4.653 2.442) 6.870 13.517 ( -2.702 -0.974 2.875) 4.064 13.650 ( 2.145 3.410 -3.449) 5.304 13.814 ( -3.349 -19.412 2.634) 19.874 14.119 ( 0.097 1.735 -1.608) 2.368 14.738 ( 3.984 -2.617 8.351) 9.616 15.139 ( 2.435 2.848 -0.150) 3.751 15.606 ( 2.553 -1.043 -3.145) 4.183 16.053 ( -1.778 2.760 4.700) 5.733 16.193 ( -4.885 1.842 -2.613) 5.838 16.259 ( -2.896 2.158 -1.460) 3.896 18.512 ( 5.434 -2.368 -3.228) 6.750 18.709 ( -6.490 1.263 3.303) 7.391 24.072 ( -8.486 0.584 5.854) 10.326 24.621 ( -14.509 -10.459 -5.970) 18.856 25.798 ( 4.670 -1.521 -4.909) 6.945 25.932 ( 2.085 1.720 -3.047) 4.073 26.415 ( 9.764 -3.423 15.083) 18.291 26.587 ( 2.136 -0.159 1.585) 2.665 26.721 ( 0.815 0.230 0.174) 0.864 28.060 ( 1.038 0.889 -1.722) 2.198 28.200 ( -1.636 -5.527 4.874) 7.549 28.464 ( -6.229 -8.622 2.002) 10.824 28.763 ( 1.603 -0.065 0.449) 1.666 28.905 ( -6.089 -0.918 2.127) 6.515 29.038 ( -6.325 4.728 1.587) 8.055 29.556 ( 13.731 21.762 -16.804) 30.733 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -17.385 9.183 19.344) 27.582 1.180 ( -14.117 8.936 21.288) 27.062 2.049 ( -5.138 -2.440 -14.561) 15.633 2.099 ( -13.110 3.708 15.263) 20.459 2.164 ( -6.509 6.184 -0.328) 8.984 2.507 ( -3.400 0.229 8.858) 9.491 2.569 ( 0.331 -0.454 1.595) 1.692 2.672 ( -1.776 -0.108 1.941) 2.633 2.886 ( 7.147 0.059 1.382) 7.279 2.973 ( 4.653 -3.213 -2.557) 6.206 3.061 ( -4.960 2.827 -0.129) 5.710 3.245 ( -14.804 -1.988 6.492) 16.286 3.299 ( -12.652 2.863 5.652) 14.150 3.350 ( 2.367 -0.348 -11.002) 11.260 3.870 ( 7.741 -0.316 -3.016) 8.314 3.985 ( -7.796 -0.688 4.540) 9.048 4.014 ( -10.142 1.693 1.909) 10.458 4.442 ( -3.971 0.596 -2.529) 4.745 4.529 ( -4.498 3.328 2.056) 5.962 4.789 ( -5.126 -2.096 14.650) 15.662 4.879 ( 4.381 -1.554 -5.939) 7.542 5.140 ( 5.003 -2.803 0.427) 5.751 5.187 ( 17.099 1.969 4.691) 17.840 5.517 ( -4.247 -3.090 4.632) 7.003 5.546 ( 5.688 1.480 -1.021) 5.966 5.724 ( -4.921 -0.621 3.229) 5.919 5.910 ( -4.030 -0.331 6.708) 7.833 6.050 ( 0.925 -3.497 8.836) 9.548 6.155 ( 2.691 -6.032 0.849) 6.659 6.321 ( -3.398 3.294 -0.623) 4.773 6.698 ( 4.048 0.300 -8.099) 9.059 6.815 ( -4.738 4.865 -3.847) 7.805 7.946 ( 3.190 -0.144 -5.044) 5.970 7.970 ( 6.977 2.176 1.025) 7.380 8.101 ( 11.360 0.939 -1.883) 11.553 8.525 ( 12.033 -4.003 -17.845) 21.892 8.755 ( -5.781 2.666 8.498) 10.618 9.143 ( 12.205 -0.179 -10.521) 16.115 10.352 ( -3.859 -6.935 1.409) 8.061 10.477 ( -8.085 3.560 -0.053) 8.834 12.001 ( 0.486 -0.459 6.891) 6.923 12.551 ( 1.592 -1.062 -8.372) 8.588 12.652 ( 8.277 0.044 0.977) 8.335 12.991 ( 3.999 -0.343 -0.657) 4.067 13.131 ( -3.609 0.310 -8.372) 9.122 13.429 ( -10.575 -4.149 -5.266) 12.521 13.568 ( 1.101 -2.745 3.148) 4.319 13.629 ( 1.484 2.643 -0.497) 3.072 13.955 ( -2.668 -9.369 -1.030) 9.796 14.070 ( -2.593 0.825 -2.783) 3.893 14.924 ( 2.590 -6.931 12.099) 14.182 15.158 ( 3.964 1.188 -0.391) 4.156 15.652 ( 5.851 0.669 -2.190) 6.283 16.002 ( -11.039 1.270 -2.643) 11.421 16.024 ( -3.946 3.882 2.995) 6.294 16.201 ( -0.851 1.372 -1.544) 2.234 18.573 ( -4.339 -0.953 3.363) 5.572 18.630 ( 2.058 0.945 -2.864) 3.651 23.985 ( -6.462 0.392 5.874) 8.741 24.378 ( -20.401 -3.926 -9.431) 22.816 25.856 ( 4.024 -1.248 -4.204) 5.952 25.914 ( 0.473 1.051 -3.834) 4.003 26.628 ( 1.365 -0.141 2.294) 2.673 26.713 ( 1.291 -1.045 0.075) 1.663 26.934 ( 30.135 -8.744 18.522) 36.437 27.976 ( -8.866 -0.459 -4.261) 9.848 28.321 ( 3.399 -5.260 6.316) 8.895 28.521 ( -7.439 -17.349 3.208) 19.147 28.788 ( 0.265 1.097 0.656) 1.305 28.840 ( -0.499 1.541 -1.716) 2.359 28.919 ( -4.593 3.041 2.640) 6.109 29.266 ( 1.303 30.860 -16.163) 34.861 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 12.794 0.000 21.730) 25.217 1.732 ( 13.584 0.000 16.580) 21.434 1.989 ( 10.136 0.000 -13.299) 16.721 2.021 ( 13.309 0.000 -18.444) 22.745 2.365 ( -4.501 -0.000 6.816) 8.168 2.548 ( -2.622 -0.000 10.007) 10.345 2.744 ( -4.809 -0.000 -0.268) 4.817 2.746 ( 2.835 0.000 15.468) 15.726 2.898 ( 8.127 0.000 1.008) 8.189 2.910 ( 1.527 0.000 -2.300) 2.761 3.030 ( 3.956 0.000 -5.214) 6.545 3.174 ( 4.386 0.000 -4.671) 6.407 3.324 ( 4.463 0.000 6.519) 7.901 3.671 ( -3.922 -0.000 -10.212) 10.939 3.754 ( 3.290 0.000 8.681) 9.284 3.894 ( 13.797 0.000 11.298) 17.833 4.247 ( 7.169 0.000 5.725) 9.174 4.282 ( 3.664 0.000 -3.631) 5.159 4.623 ( 4.628 0.000 2.639) 5.327 4.760 ( -7.204 -0.000 14.694) 16.365 4.839 ( 2.398 0.000 -4.771) 5.340 5.058 ( -19.930 -0.000 -2.336) 20.066 5.272 ( 0.825 0.000 -4.947) 5.015 5.381 ( -1.489 -0.000 -2.013) 2.504 5.508 ( -10.127 -0.000 4.092) 10.923 5.649 ( 0.156 0.000 7.593) 7.595 5.950 ( 3.024 0.000 4.404) 5.342 6.032 ( 1.759 0.000 4.737) 5.053 6.381 ( -4.737 -0.000 -2.711) 5.458 6.500 ( 1.803 0.000 -11.213) 11.357 6.849 ( 9.603 0.000 2.639) 9.960 6.859 ( 7.245 0.000 -4.770) 8.674 7.938 ( -11.519 -0.000 -5.329) 12.692 7.940 ( 0.142 0.000 -7.041) 7.042 8.082 ( -9.542 -0.000 -2.178) 9.788 8.259 ( -2.014 -0.000 -19.309) 19.414 8.714 ( -0.986 -0.000 5.922) 6.004 9.330 ( 6.141 0.000 -13.663) 14.980 10.002 ( -14.772 -0.000 11.119) 18.489 10.633 ( 7.055 0.000 2.240) 7.402 12.278 ( 4.651 0.000 7.318) 8.671 12.349 ( -2.322 -0.000 -11.283) 11.519 12.558 ( -5.182 -0.000 3.927) 6.502 12.566 ( -6.506 -0.000 -2.700) 7.044 13.263 ( -6.214 -0.000 6.759) 9.182 13.293 ( 6.737 0.000 -4.396) 8.044 13.566 ( 1.253 0.000 -2.327) 2.643 13.720 ( 3.292 0.000 0.219) 3.299 13.863 ( -4.181 -0.000 0.658) 4.232 13.909 ( -0.085 -0.000 7.459) 7.460 15.031 ( 0.033 0.000 5.089) 5.089 15.293 ( -3.874 -0.000 -5.282) 6.550 15.563 ( -4.120 -0.000 -4.585) 6.164 16.045 ( 2.127 0.000 7.036) 7.350 16.084 ( 9.514 0.000 2.542) 9.848 16.213 ( 2.491 0.000 -2.132) 3.279 18.375 ( -2.283 -0.000 2.402) 3.314 18.821 ( 2.628 0.000 -0.440) 2.664 24.156 ( 4.259 0.000 2.880) 5.142 24.165 ( 7.860 0.000 11.632) 14.039 25.761 ( -3.324 -0.000 -3.488) 4.818 25.852 ( -0.686 -0.000 -1.532) 1.679 26.657 ( -0.237 -0.000 1.878) 1.893 26.718 ( -1.159 -0.000 -2.515) 2.769 27.153 ( -16.873 -0.000 -12.978) 21.287 27.972 ( -5.493 -0.000 1.903) 5.813 28.505 ( 6.511 0.000 -2.002) 6.812 28.577 ( -2.110 -0.000 6.756) 7.078 28.710 ( -1.435 -0.000 -0.894) 1.690 28.788 ( 1.471 0.000 -0.217) 1.487 28.855 ( 0.693 0.000 3.859) 3.921 29.202 ( 15.327 0.000 -3.330) 15.685 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 15.510 0.439 16.289) 22.496 2.006 ( 9.484 -1.901 10.837) 14.526 2.034 ( 7.130 0.897 -9.551) 11.952 2.150 ( 12.016 -2.711 -13.205) 18.058 2.321 ( -4.880 0.738 5.693) 7.535 2.483 ( -5.465 4.166 3.104) 7.541 2.680 ( -4.408 -1.703 -1.845) 5.073 2.893 ( 1.524 2.336 1.154) 3.018 2.941 ( -3.823 -1.460 -11.777) 12.467 2.967 ( 7.539 -1.675 9.387) 12.156 3.033 ( 3.560 -2.398 1.359) 4.502 3.294 ( 11.606 0.279 -2.004) 11.781 3.332 ( -8.054 -1.640 3.080) 8.778 3.666 ( 8.861 0.153 -5.924) 10.660 3.818 ( -1.103 0.387 10.809) 10.872 4.147 ( 7.583 -2.729 14.345) 16.454 4.311 ( 0.292 -0.315 2.279) 2.319 4.369 ( -1.729 -0.845 13.828) 13.962 4.709 ( -3.745 -1.116 0.646) 3.960 4.744 ( -13.949 -1.826 -1.925) 14.199 4.843 ( 17.490 0.344 5.167) 18.241 4.926 ( 4.877 -2.253 -4.751) 7.172 5.226 ( -2.176 1.126 -9.356) 9.671 5.317 ( -0.379 3.464 -2.114) 4.075 5.422 ( -7.974 -1.043 10.951) 13.587 5.683 ( -1.211 -0.341 6.483) 6.604 5.923 ( -0.764 8.422 4.062) 9.382 6.123 ( 3.805 -2.970 1.410) 5.029 6.338 ( -4.430 -5.576 -4.302) 8.319 6.432 ( -2.895 0.028 -8.716) 9.184 6.826 ( 2.603 8.303 -1.866) 8.899 7.021 ( 6.769 0.950 0.527) 6.855 7.734 ( -11.751 -2.379 -2.602) 12.268 7.876 ( -6.939 -2.716 -2.926) 8.005 7.960 ( 0.836 0.866 -11.199) 11.264 8.126 ( -1.017 0.708 -17.281) 17.326 8.743 ( 2.389 0.591 2.048) 3.202 9.339 ( 2.620 -1.323 -8.607) 9.094 9.827 ( -14.770 1.766 10.425) 18.165 10.746 ( 5.738 0.634 4.753) 7.478 12.239 ( -4.974 -0.336 -8.124) 9.532 12.385 ( 4.200 -0.501 4.239) 5.988 12.482 ( -2.464 -0.329 -3.419) 4.228 12.563 ( 4.180 -0.283 -2.253) 4.757 13.181 ( -9.959 -1.080 8.450) 13.105 13.340 ( 0.950 -0.905 -0.601) 1.443 13.578 ( 0.904 0.222 -2.496) 2.664 13.718 ( -0.466 2.615 1.136) 2.889 13.846 ( -1.153 -0.582 3.088) 3.347 13.996 ( 6.666 0.845 5.304) 8.560 15.047 ( -2.612 3.677 -0.124) 4.512 15.121 ( -4.994 2.458 -4.644) 7.249 15.517 ( -3.805 -5.180 -4.931) 8.101 16.110 ( 3.245 2.625 5.244) 6.702 16.211 ( 6.011 0.942 2.696) 6.655 16.260 ( 2.601 -2.662 -0.353) 3.738 18.367 ( 0.451 0.536 0.171) 0.721 18.841 ( -0.365 -0.088 1.409) 1.458 24.225 ( 1.922 0.099 3.683) 4.155 24.349 ( 5.951 0.332 14.325) 15.516 25.699 ( -1.861 -0.033 -3.671) 4.116 25.852 ( 1.066 -0.513 -0.094) 1.187 26.663 ( -3.364 0.048 -4.207) 5.387 26.670 ( 0.064 -0.249 1.184) 1.212 26.835 ( -13.345 1.626 -13.769) 19.244 27.901 ( -6.090 -1.221 4.530) 7.688 28.422 ( 4.212 14.132 1.618) 14.835 28.584 ( -1.925 4.166 0.784) 4.656 28.725 ( -0.357 -3.272 1.200) 3.503 28.820 ( -2.182 -5.283 1.847) 6.007 28.985 ( 0.354 -12.041 1.328) 12.119 29.427 ( 18.898 1.490 -5.510) 19.742 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 12.833 1.906 6.924) 14.706 2.002 ( 0.442 4.364 -1.718) 4.711 2.212 ( -1.831 3.438 5.686) 6.893 2.223 ( 7.309 -2.692 1.537) 7.939 2.323 ( 4.347 -0.358 -0.975) 4.470 2.387 ( -0.916 2.117 3.103) 3.866 2.601 ( -4.815 0.825 -4.037) 6.337 2.798 ( -7.996 -2.346 -8.826) 12.138 2.894 ( -0.232 1.402 1.072) 1.780 3.070 ( 4.040 0.103 -0.533) 4.077 3.146 ( 5.878 -0.130 -1.182) 5.997 3.250 ( -5.712 -3.017 1.230) 6.576 3.464 ( 10.484 -2.178 -3.339) 11.216 3.745 ( 4.015 3.877 -0.138) 5.583 3.851 ( -0.006 -0.238 8.788) 8.791 4.288 ( -9.188 -2.165 16.104) 18.667 4.326 ( -8.426 -0.831 11.851) 14.565 4.423 ( 2.006 -5.251 11.332) 12.649 4.584 ( -7.301 -2.756 0.109) 7.805 4.689 ( -4.213 -3.141 -1.068) 5.362 4.951 ( 1.564 0.373 -3.039) 3.438 5.040 ( -7.740 2.040 -2.770) 8.470 5.200 ( 12.067 -1.410 0.044) 12.149 5.248 ( 0.426 2.408 -1.369) 2.802 5.460 ( 0.517 -1.985 9.209) 9.435 5.690 ( -2.947 -0.117 4.705) 5.553 5.839 ( -1.381 4.664 2.437) 5.440 6.201 ( 0.587 -2.159 -4.940) 5.423 6.262 ( -8.546 -0.802 -4.112) 9.518 6.338 ( -2.017 -1.766 -4.737) 5.443 6.730 ( -2.971 4.700 0.655) 5.599 7.061 ( 8.532 9.906 0.230) 13.075 7.670 ( -0.507 -2.603 0.834) 2.780 7.830 ( -0.282 -3.126 -3.382) 4.614 7.954 ( 8.556 -0.685 -15.632) 17.834 8.015 ( -0.228 0.329 -15.296) 15.302 8.793 ( 5.402 0.891 -1.745) 5.746 9.313 ( -7.701 -0.798 3.382) 8.449 9.703 ( -3.863 -1.773 1.777) 4.607 10.832 ( 1.981 0.549 6.313) 6.640 12.106 ( -8.043 -0.363 -5.018) 9.487 12.451 ( 2.028 0.661 -1.410) 2.557 12.467 ( 2.500 -0.509 0.360) 2.577 12.652 ( 10.346 -0.869 -7.803) 12.988 13.114 ( -11.101 -5.330 10.207) 15.995 13.358 ( -0.166 -1.693 1.284) 2.132 13.536 ( -3.621 -0.133 -2.683) 4.509 13.683 ( -4.846 -0.233 1.942) 5.226 13.859 ( 3.567 5.773 5.335) 8.633 14.112 ( 7.323 1.627 1.411) 7.633 14.830 ( -7.474 5.186 -7.324) 11.679 15.141 ( 2.941 -0.697 0.729) 3.109 15.495 ( -3.835 -5.182 -3.753) 7.460 16.138 ( 2.173 3.409 3.395) 5.279 16.274 ( 1.660 0.024 1.569) 2.284 16.324 ( 2.030 -0.847 1.499) 2.662 18.379 ( 3.256 0.914 -2.229) 4.051 18.830 ( -2.950 -0.139 2.798) 4.068 24.240 ( -2.785 0.534 4.787) 5.564 24.472 ( -0.366 -0.387 13.441) 13.451 25.675 ( 1.028 -0.862 -3.935) 4.158 25.895 ( 3.619 -0.037 1.180) 3.807 26.516 ( -10.171 -0.346 -11.643) 15.464 26.631 ( -2.496 2.054 -4.841) 5.821 26.690 ( 0.152 -0.550 0.944) 1.104 27.887 ( -2.240 -2.227 5.028) 5.938 28.339 ( 1.326 8.809 0.239) 8.911 28.503 ( -3.175 3.215 0.642) 4.564 28.743 ( 0.197 -0.255 0.080) 0.332 28.860 ( -4.740 -6.207 4.576) 9.052 29.105 ( -1.585 -8.712 1.152) 8.930 29.649 ( 20.420 4.066 -8.089) 22.337 ======================= Grid point 145 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -10.308 9.453 4.039) 14.558 2.059 ( -6.661 9.272 3.410) 11.915 2.161 ( 9.756 2.871 3.295) 10.691 2.349 ( 4.794 -3.736 -0.312) 6.085 2.390 ( 0.965 -0.780 0.205) 1.257 2.436 ( 3.041 1.371 5.390) 6.339 2.523 ( 0.831 0.333 -3.602) 3.712 2.679 ( -4.033 -1.985 -7.077) 8.384 2.846 ( -4.479 3.215 3.174) 6.361 3.104 ( 0.940 1.459 -3.682) 4.071 3.166 ( 1.955 0.156 -1.474) 2.453 3.274 ( 3.718 -1.002 0.374) 3.868 3.583 ( 3.183 0.363 -2.368) 3.984 3.694 ( -0.594 5.125 1.334) 5.329 3.911 ( -4.363 -0.926 13.880) 14.579 4.092 ( -26.307 -0.565 11.223) 28.607 4.330 ( -2.357 -4.046 5.524) 7.241 4.500 ( -3.336 -2.880 1.554) 4.673 4.577 ( -7.564 -1.131 11.725) 13.999 4.632 ( -7.407 -3.285 0.261) 8.107 4.913 ( -2.816 -2.097 1.786) 3.940 4.961 ( -0.483 -1.000 1.307) 1.715 5.149 ( -0.474 1.995 -4.564) 5.003 5.414 ( 4.772 1.498 2.636) 5.654 5.533 ( 4.589 -2.455 1.942) 5.555 5.640 ( -6.245 0.238 2.298) 6.659 5.815 ( -2.542 -2.813 0.319) 3.805 6.055 ( -10.449 1.199 -1.730) 10.658 6.124 ( -9.109 0.646 1.827) 9.313 6.418 ( 8.636 -1.720 -7.398) 11.501 6.691 ( 0.272 -0.193 2.954) 2.973 7.060 ( 8.522 11.509 -2.410) 14.522 7.757 ( 8.741 0.635 2.306) 9.062 7.885 ( 5.370 -2.508 -4.599) 7.502 7.924 ( 0.765 -0.322 -13.370) 13.395 8.080 ( 16.573 -1.648 -14.118) 21.833 8.862 ( 7.162 0.658 -3.969) 8.214 9.164 ( -14.165 2.119 9.108) 16.974 9.790 ( 5.725 -8.748 -2.952) 10.863 10.841 ( -4.942 0.497 4.486) 6.692 11.983 ( -5.744 -0.045 -0.266) 5.750 12.464 ( 2.869 0.824 -1.381) 3.290 12.518 ( 3.307 -0.144 -1.232) 3.532 12.782 ( 11.927 -0.984 -9.775) 15.453 13.096 ( -11.503 -9.930 10.720) 18.597 13.404 ( 1.515 -3.493 0.618) 3.857 13.468 ( -4.315 -0.725 -0.481) 4.402 13.592 ( -9.270 -0.785 2.348) 9.595 13.852 ( 3.274 8.500 1.661) 9.259 14.175 ( 4.130 2.116 -1.860) 5.000 14.693 ( -1.794 1.469 -1.590) 2.811 15.192 ( 3.797 0.889 -1.087) 4.048 15.488 ( -2.603 -4.752 -1.394) 5.595 16.137 ( 0.172 2.896 3.253) 4.359 16.279 ( -1.241 0.442 0.390) 1.374 16.348 ( 0.411 0.858 0.299) 0.998 18.419 ( 5.868 0.732 -3.839) 7.050 18.790 ( -5.021 -0.073 3.468) 6.103 24.187 ( -6.865 0.996 5.594) 8.911 24.500 ( -7.350 -3.172 8.930) 11.993 25.700 ( 3.318 -1.599 -4.206) 5.591 25.958 ( 4.738 1.454 0.266) 4.963 26.341 ( -5.724 -0.426 -4.629) 7.374 26.580 ( 0.092 0.794 -2.203) 2.344 26.704 ( 0.149 -0.560 0.641) 0.864 27.939 ( 1.338 -2.877 4.342) 5.378 28.248 ( -2.880 4.162 -2.097) 5.478 28.427 ( -4.359 1.179 1.364) 4.717 28.748 ( 0.542 0.101 -0.100) 0.561 28.871 ( -5.731 -4.569 4.567) 8.636 29.154 ( -2.669 -3.119 2.873) 5.011 29.832 ( 20.151 6.796 -12.106) 24.470 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -13.160 11.420 11.565) 20.913 1.831 ( -8.992 13.848 7.103) 17.974 2.180 ( -0.366 2.810 -9.628) 10.036 2.357 ( -2.074 3.513 -4.553) 6.114 2.434 ( 0.114 -1.122 5.298) 5.416 2.482 ( 3.238 0.238 1.566) 3.605 2.567 ( 2.074 -1.128 1.502) 2.798 2.658 ( -0.689 2.837 1.583) 3.321 2.778 ( 2.020 1.365 4.600) 5.206 3.006 ( -4.552 3.506 -4.655) 7.395 3.214 ( 4.150 1.136 -2.488) 4.970 3.347 ( 2.489 -0.378 0.764) 2.631 3.441 ( -9.973 8.555 5.984) 14.438 3.620 ( -34.931 -1.213 16.642) 38.712 3.750 ( 4.811 -1.253 -3.451) 6.052 3.990 ( 0.772 -0.299 0.988) 1.289 4.281 ( -17.105 0.125 2.845) 17.341 4.429 ( -3.767 -0.377 14.175) 14.672 4.566 ( -4.198 -6.838 7.564) 11.028 4.667 ( 2.290 -3.705 -3.273) 5.448 4.916 ( -6.495 0.163 2.089) 6.825 4.967 ( 2.582 -0.449 -0.523) 2.672 5.142 ( 4.653 0.459 -2.839) 5.470 5.423 ( -0.098 -0.641 -1.269) 1.425 5.564 ( -1.180 0.705 -0.255) 1.398 5.665 ( 5.535 -1.833 1.622) 6.052 5.802 ( -7.335 -7.259 -0.331) 10.325 5.935 ( -6.923 -0.926 5.226) 8.723 6.031 ( -5.512 -0.122 7.218) 9.082 6.458 ( 1.786 1.607 -5.567) 6.064 6.750 ( 4.934 0.128 -1.600) 5.189 7.013 ( 4.884 9.425 -5.055) 11.758 7.893 ( 2.662 -1.802 -9.286) 9.827 7.916 ( 10.635 0.968 1.069) 10.732 7.991 ( 10.155 -0.018 -2.915) 10.565 8.280 ( 16.123 -1.755 -12.393) 20.411 8.903 ( -4.358 1.448 4.666) 6.547 9.039 ( 2.261 0.688 -2.805) 3.668 9.985 ( 5.569 -10.831 -1.275) 12.246 10.719 ( -11.904 0.669 0.670) 11.941 11.947 ( -1.497 -0.541 4.553) 4.824 12.505 ( 3.770 0.082 -2.151) 4.341 12.559 ( 4.788 0.293 -1.952) 5.179 12.898 ( 7.872 -0.860 -5.573) 9.683 13.115 ( -10.373 -12.088 5.178) 16.748 13.380 ( -7.141 -1.857 -2.715) 7.862 13.483 ( -5.793 -1.974 5.623) 8.312 13.538 ( 4.702 -4.109 2.305) 6.656 13.786 ( 0.601 6.280 -2.028) 6.627 14.165 ( 0.290 2.024 -3.891) 4.395 14.710 ( 2.613 -0.282 5.016) 5.663 15.213 ( 3.099 2.768 -1.954) 4.592 15.521 ( 0.027 -4.684 0.321) 4.695 16.113 ( -2.459 2.210 4.039) 5.220 16.234 ( -2.487 1.358 -2.687) 3.905 16.316 ( -1.803 2.360 -1.237) 3.218 18.490 ( 7.409 0.353 -4.235) 8.542 18.723 ( -6.471 0.134 3.205) 7.223 24.093 ( -8.124 1.159 5.897) 10.105 24.430 ( -13.310 -5.367 2.570) 14.580 25.755 ( 4.312 -1.890 -4.170) 6.290 25.979 ( 1.912 1.950 -4.022) 4.861 26.355 ( 5.024 -1.835 10.167) 11.488 26.585 ( 1.665 -0.040 0.459) 1.728 26.716 ( 0.274 -0.597 0.543) 0.852 28.030 ( 2.013 -3.203 2.011) 4.284 28.135 ( -5.687 0.175 -2.800) 6.341 28.362 ( -5.529 -0.986 2.161) 6.018 28.760 ( 1.061 -0.182 0.157) 1.088 28.855 ( -5.094 -2.834 3.398) 6.748 29.135 ( -3.045 2.600 4.774) 6.231 29.927 ( 17.083 10.458 -18.237) 27.089 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -11.898 11.825 16.355) 23.428 1.565 ( -8.323 18.179 11.849) 23.241 2.043 ( -2.663 2.584 -14.949) 15.402 2.213 ( -3.923 5.819 -6.691) 9.696 2.395 ( -8.593 9.704 15.203) 19.978 2.518 ( -3.276 1.052 6.997) 7.797 2.546 ( 1.519 -0.090 2.149) 2.633 2.670 ( 0.884 0.387 3.950) 4.066 2.873 ( 1.600 -0.028 -5.948) 6.159 2.944 ( 7.087 -1.015 3.140) 7.818 3.153 ( -6.360 6.953 1.140) 9.492 3.196 ( -19.571 -1.905 8.491) 21.418 3.310 ( -3.309 -1.589 -1.111) 3.835 3.411 ( -1.821 4.949 1.984) 5.634 3.850 ( 7.824 -1.494 -3.580) 8.733 3.984 ( -4.648 0.560 5.776) 7.435 4.049 ( -13.071 0.834 3.463) 13.547 4.471 ( -0.139 1.324 8.324) 8.430 4.592 ( -6.466 1.024 -7.739) 10.136 4.681 ( -3.032 -7.077 10.584) 13.088 4.870 ( 1.392 0.623 2.262) 2.728 5.034 ( 3.309 -5.137 -2.447) 6.582 5.209 ( 4.180 -1.247 0.240) 4.369 5.431 ( -0.389 -2.413 -0.785) 2.567 5.583 ( 3.328 0.758 0.683) 3.481 5.706 ( -7.353 -2.373 5.229) 9.329 5.823 ( 1.424 -5.259 3.334) 6.387 5.929 ( -3.394 -5.461 4.990) 8.139 6.046 ( -0.308 -2.465 5.683) 6.202 6.409 ( 1.698 4.107 -3.030) 5.379 6.779 ( 5.561 3.763 -6.687) 9.476 6.928 ( 0.195 6.596 -6.301) 9.124 7.919 ( 3.031 -2.344 -6.408) 7.466 8.030 ( 7.628 1.675 -1.950) 8.050 8.145 ( 11.317 2.332 0.609) 11.571 8.424 ( 8.690 -3.355 -12.537) 15.619 8.805 ( -8.934 0.989 8.661) 12.482 9.136 ( 12.333 -0.377 -10.722) 16.347 10.163 ( 1.599 -9.048 1.940) 9.390 10.519 ( -12.329 0.291 -1.071) 12.379 11.986 ( 0.760 -0.680 7.052) 7.126 12.517 ( 1.220 -1.253 -7.548) 7.748 12.662 ( 9.016 0.813 1.565) 9.187 12.953 ( -4.540 -3.479 2.672) 6.313 13.105 ( -1.896 -4.533 -5.755) 7.567 13.270 ( -10.748 -5.251 -1.371) 12.040 13.501 ( -0.144 -2.794 5.462) 6.137 13.684 ( 3.552 0.382 -1.148) 3.752 13.751 ( 2.400 -3.533 3.476) 5.506 14.100 ( -2.592 1.509 -4.632) 5.518 14.810 ( 3.079 -2.203 8.837) 9.613 15.205 ( 2.130 2.518 -1.973) 3.843 15.599 ( 3.213 -3.907 0.722) 5.110 16.033 ( -8.284 1.328 -0.964) 8.445 16.147 ( -1.954 4.751 -1.644) 5.394 16.248 ( -1.543 2.424 -0.843) 2.995 18.566 ( 3.717 0.587 -1.243) 3.963 18.643 ( -3.397 0.118 -0.053) 3.399 24.003 ( -6.230 1.126 5.978) 8.707 24.273 ( -14.539 -3.697 -1.059) 15.039 25.818 ( 4.035 -1.796 -3.652) 5.731 25.941 ( -0.741 0.987 -4.759) 4.916 26.608 ( 3.802 -2.869 4.473) 6.534 26.647 ( 8.183 -2.845 9.062) 12.537 26.768 ( 8.271 -3.236 8.621) 12.378 27.945 ( -11.227 -2.036 -6.707) 13.235 28.182 ( 2.433 -4.534 4.433) 6.791 28.316 ( -5.079 -3.209 2.545) 6.525 28.788 ( 1.318 -0.673 0.992) 1.781 28.832 ( -2.698 -1.441 1.425) 3.374 29.065 ( -2.610 7.041 5.749) 9.457 29.849 ( 9.350 17.152 -24.583) 31.400 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -6.599 12.778 17.987) 23.030 1.360 ( 0.707 16.959 18.124) 24.831 1.913 ( 1.072 0.927 -14.886) 14.953 2.070 ( 1.081 5.358 -12.239) 13.404 2.273 ( -3.202 11.196 26.208) 28.679 2.496 ( -4.977 0.120 8.233) 9.621 2.611 ( 4.489 -1.052 2.505) 5.247 2.690 ( -0.042 -0.905 6.100) 6.166 2.888 ( 0.684 -2.264 -2.508) 3.447 2.952 ( -11.383 -1.244 7.245) 13.550 3.040 ( -4.460 5.236 0.838) 6.929 3.153 ( 6.295 -0.320 -2.015) 6.618 3.293 ( 4.981 2.950 -1.262) 5.925 3.318 ( 1.970 1.624 -10.293) 10.605 3.850 ( -10.064 1.221 9.433) 13.848 3.939 ( -5.485 0.498 1.226) 5.642 4.003 ( 6.893 -0.101 1.069) 6.976 4.372 ( -3.903 3.506 -9.136) 10.535 4.552 ( -0.125 0.623 8.774) 8.797 4.766 ( -4.839 -3.037 14.568) 15.648 4.893 ( 2.322 0.614 -4.404) 5.017 5.145 ( 3.722 -6.215 -2.763) 7.754 5.298 ( 0.833 -6.843 0.540) 6.915 5.457 ( -0.542 -3.257 -1.301) 3.549 5.590 ( -6.014 0.603 5.639) 8.266 5.667 ( -2.223 -2.545 4.429) 5.571 5.898 ( -7.043 -3.468 8.745) 11.752 5.962 ( -3.795 -1.139 7.723) 8.680 6.169 ( 9.751 -7.344 0.584) 12.221 6.449 ( 12.423 1.978 -8.040) 14.930 6.773 ( 6.348 5.863 -5.078) 10.022 6.785 ( -3.402 5.911 -7.303) 9.993 7.949 ( 2.877 -1.112 -5.974) 6.723 8.089 ( 4.749 2.253 -1.884) 5.583 8.239 ( 4.371 2.315 -0.265) 4.954 8.468 ( 1.632 -4.837 -16.497) 17.269 8.731 ( -6.786 0.237 8.801) 11.116 9.247 ( 11.091 0.064 -13.142) 17.197 10.212 ( -9.442 -3.317 7.300) 12.387 10.426 ( 1.039 -2.942 -2.008) 3.711 12.061 ( 2.432 -0.613 8.216) 8.591 12.493 ( 0.453 -1.374 -10.531) 10.630 12.754 ( -2.948 -0.061 5.404) 6.156 12.869 ( -6.733 -0.334 -0.362) 6.751 13.161 ( -1.085 -5.052 -3.987) 6.526 13.173 ( -0.327 -2.388 -2.688) 3.610 13.571 ( 0.907 -2.453 3.629) 4.474 13.657 ( -1.008 1.446 -0.607) 1.865 13.877 ( -0.511 -3.989 4.537) 6.063 14.020 ( -2.401 0.873 -3.683) 4.482 14.934 ( 0.683 -3.870 9.507) 10.287 15.215 ( 2.748 -0.835 -2.405) 3.745 15.707 ( 4.172 -2.503 1.476) 5.084 15.851 ( -5.760 2.915 -5.667) 8.590 16.065 ( -2.865 4.719 4.316) 7.008 16.214 ( 0.772 2.057 -0.971) 2.402 18.502 ( -7.410 1.133 3.466) 8.259 18.690 ( 7.156 -0.106 -3.883) 8.142 23.965 ( -1.749 0.884 6.416) 6.708 24.121 ( -7.346 -0.461 0.625) 7.387 25.863 ( 1.755 -1.086 -2.993) 3.635 25.889 ( -1.548 0.027 -4.270) 4.542 26.647 ( 0.127 -0.354 2.079) 2.113 26.718 ( 0.849 -0.834 -0.407) 1.258 27.308 ( 26.636 -16.461 15.289) 34.845 27.737 ( -14.247 -2.622 -8.620) 16.857 28.229 ( -10.093 -7.820 7.507) 14.812 28.378 ( 4.497 -5.275 2.153) 7.258 28.788 ( -2.388 0.342 1.768) 2.990 28.863 ( 3.816 -0.817 -0.077) 3.903 28.974 ( -0.667 8.345 4.530) 9.518 29.512 ( -0.625 26.738 -22.563) 34.991 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 16.018 0.000 10.649) 19.235 2.063 ( 4.124 0.000 -6.928) 8.063 2.180 ( 4.574 0.000 7.769) 9.015 2.233 ( 7.209 0.000 -6.387) 9.631 2.309 ( 1.328 0.000 3.186) 3.452 2.477 ( -2.480 -0.000 6.147) 6.628 2.576 ( -5.067 -0.000 -4.949) 7.083 2.766 ( -8.523 -0.000 -8.552) 12.074 2.927 ( 0.051 0.000 1.934) 1.935 3.073 ( 4.730 0.000 -2.850) 5.523 3.138 ( 9.206 0.000 4.956) 10.455 3.200 ( -8.254 -0.000 2.254) 8.556 3.434 ( 10.000 0.000 -6.605) 11.984 3.800 ( 10.228 0.000 -2.549) 10.541 3.849 ( -2.593 -0.000 8.274) 8.671 4.266 ( -8.492 -0.000 23.789) 25.259 4.288 ( -7.496 -0.000 7.474) 10.585 4.370 ( -2.291 -0.000 10.871) 11.110 4.537 ( -6.500 -0.000 -0.965) 6.572 4.653 ( -3.230 -0.000 -1.146) 3.427 4.957 ( 2.854 0.000 -3.928) 4.856 5.069 ( -13.232 -0.000 -5.066) 14.169 5.177 ( 17.384 0.000 1.550) 17.453 5.279 ( -1.248 -0.000 -2.651) 2.930 5.439 ( -0.345 -0.000 11.633) 11.638 5.686 ( -2.343 -0.000 3.792) 4.458 5.935 ( -8.449 -0.000 4.836) 9.735 6.128 ( 0.979 0.000 -10.090) 10.137 6.254 ( 2.648 0.000 -2.022) 3.332 6.308 ( -8.403 -0.000 -4.620) 9.589 6.820 ( -5.866 -0.000 0.084) 5.867 7.202 ( 11.356 0.000 1.393) 11.441 7.617 ( 0.509 0.000 1.206) 1.309 7.779 ( -0.446 -0.000 -3.709) 3.736 7.950 ( 7.684 0.000 -13.959) 15.934 8.019 ( -1.054 -0.000 -15.830) 15.865 8.806 ( 5.857 0.000 -2.605) 6.410 9.293 ( -5.315 -0.000 0.612) 5.350 9.692 ( -9.906 -0.000 6.044) 11.604 10.837 ( 2.023 0.000 4.871) 5.274 12.101 ( -7.152 -0.000 -5.386) 8.953 12.457 ( 1.821 0.000 -3.462) 3.911 12.463 ( 3.664 0.000 2.118) 4.232 12.640 ( 9.297 0.000 -6.933) 11.598 13.050 ( -12.110 -0.000 8.477) 14.782 13.340 ( -0.447 -0.000 1.614) 1.675 13.537 ( -3.773 -0.000 -2.300) 4.419 13.677 ( -6.272 -0.000 1.443) 6.436 13.932 ( 4.628 0.000 9.448) 10.520 14.131 ( 7.436 0.000 0.935) 7.494 14.926 ( -10.898 -0.000 -9.394) 14.388 15.111 ( 2.515 0.000 1.691) 3.031 15.423 ( -1.065 -0.000 -4.321) 4.450 16.202 ( 1.618 0.000 5.665) 5.892 16.253 ( 1.407 0.000 -2.025) 2.466 16.313 ( 3.522 0.000 2.589) 4.371 18.393 ( 3.278 0.000 -2.002) 3.841 18.828 ( -2.975 -0.000 2.886) 4.145 24.248 ( -2.404 -0.000 4.744) 5.319 24.471 ( -1.588 -0.000 14.114) 14.203 25.664 ( 0.551 0.000 -3.944) 3.982 25.894 ( 4.354 0.000 1.808) 4.714 26.509 ( -10.079 -0.000 -10.431) 14.505 26.660 ( -4.111 -0.000 -6.253) 7.484 26.683 ( 0.494 0.000 1.058) 1.168 27.854 ( -2.267 -0.000 3.925) 4.533 28.516 ( -3.991 -0.000 -6.795) 7.880 28.550 ( -5.795 -0.000 8.501) 10.289 28.707 ( 1.351 0.000 0.626) 1.489 28.780 ( -0.603 -0.000 -0.350) 0.697 28.959 ( 2.417 0.000 5.303) 5.828 29.696 ( 20.897 0.000 -8.435) 22.535 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -2.251 7.312 -0.664) 7.679 2.209 ( 4.899 2.227 4.009) 6.711 2.241 ( 5.653 -1.433 2.063) 6.186 2.249 ( -2.678 0.424 1.437) 3.069 2.396 ( 8.307 1.124 -4.008) 9.292 2.467 ( -0.645 1.576 5.129) 5.404 2.534 ( -0.030 -0.218 4.368) 4.373 2.624 ( -5.469 -2.291 -5.787) 8.285 2.920 ( -1.280 2.822 3.229) 4.475 3.110 ( -3.193 -1.810 -4.194) 5.574 3.138 ( 1.891 -0.650 3.207) 3.780 3.284 ( 9.134 1.213 -0.753) 9.245 3.539 ( 8.034 -2.212 -6.626) 10.647 3.825 ( -2.814 3.482 5.490) 7.084 3.904 ( 1.769 0.582 2.738) 3.312 4.070 ( -28.867 -1.052 15.238) 32.659 4.221 ( -6.894 -3.486 6.633) 10.182 4.462 ( 3.478 -0.294 4.607) 5.780 4.527 ( -2.961 -2.238 7.083) 7.996 4.618 ( -5.161 1.035 4.417) 6.871 4.831 ( -14.353 -3.180 1.472) 14.774 4.959 ( 0.778 0.313 -1.350) 1.589 5.168 ( -3.524 0.280 -4.808) 5.968 5.449 ( 10.648 0.629 2.752) 11.016 5.494 ( 0.422 -0.689 6.076) 6.130 5.632 ( -6.610 -0.185 -0.150) 6.614 5.809 ( -8.859 0.748 3.091) 9.413 6.033 ( -5.608 -1.582 -9.850) 11.444 6.145 ( -10.142 0.865 1.678) 10.317 6.365 ( 10.903 -2.021 -6.476) 12.841 6.743 ( -3.023 2.734 5.734) 7.036 7.298 ( 7.801 6.818 -2.636) 10.690 7.748 ( 11.530 -1.130 3.659) 12.149 7.808 ( 5.025 -2.485 -5.483) 7.841 7.918 ( -0.811 -0.234 -13.994) 14.019 8.059 ( 16.526 -0.350 -11.497) 20.135 8.884 ( 8.755 0.884 -6.558) 10.974 9.172 ( -15.819 -0.656 11.220) 19.405 9.650 ( 0.777 -3.007 -1.002) 3.263 10.845 ( -4.462 0.048 2.753) 5.243 11.986 ( -5.176 0.199 -0.787) 5.239 12.485 ( 4.294 0.726 -2.018) 4.800 12.516 ( 2.991 -0.065 -0.663) 3.065 12.748 ( 10.338 -1.280 -9.488) 14.091 12.939 ( -11.864 -3.297 8.688) 15.070 13.358 ( 1.288 -0.873 1.888) 2.446 13.466 ( -4.198 0.216 0.009) 4.203 13.572 ( -9.391 -0.660 1.803) 9.586 14.008 ( 0.561 3.926 7.165) 8.189 14.210 ( 4.354 0.776 -3.116) 5.410 14.739 ( -4.586 1.851 -5.070) 7.083 15.170 ( 3.057 -1.880 -0.233) 3.597 15.416 ( 0.971 -1.252 -2.038) 2.581 16.207 ( -1.227 2.800 3.904) 4.958 16.269 ( -0.811 -1.319 0.135) 1.554 16.360 ( 1.814 0.209 0.074) 1.827 18.441 ( 6.172 0.710 -4.119) 7.455 18.787 ( -5.066 -0.078 3.686) 6.265 24.207 ( -6.394 0.554 5.620) 8.531 24.461 ( -8.998 -0.611 9.844) 13.350 25.673 ( 3.133 -0.626 -4.029) 5.143 25.983 ( 5.534 0.606 1.880) 5.876 26.330 ( -6.599 -0.364 -4.899) 8.227 26.594 ( -0.853 0.370 -3.656) 3.772 26.694 ( 0.206 -0.241 0.435) 0.538 27.879 ( 1.229 -1.704 3.322) 3.930 28.361 ( -6.551 3.907 -6.845) 10.248 28.478 ( -7.103 2.344 6.266) 9.758 28.738 ( 0.117 -1.371 0.779) 1.581 28.782 ( -0.871 -1.857 0.318) 2.076 29.059 ( 2.100 -3.473 6.702) 7.835 29.931 ( 19.840 1.995 -12.041) 23.293 ======================= Grid point 153 (75/114) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -7.683 12.432 8.028) 16.674 2.107 ( -4.370 9.983 2.662) 11.218 2.241 ( -1.923 0.543 -2.472) 3.179 2.340 ( 2.199 -3.994 0.647) 4.605 2.443 ( 0.278 2.393 -3.466) 4.220 2.518 ( 3.618 0.437 4.008) 5.418 2.543 ( 3.968 0.270 -2.029) 4.465 2.642 ( 2.596 -1.496 4.032) 5.023 2.867 ( -2.199 3.766 4.991) 6.627 3.041 ( -5.748 -1.467 -3.041) 6.666 3.222 ( 5.146 -0.216 2.290) 5.637 3.374 ( 7.264 2.729 -1.293) 7.867 3.576 ( -28.383 0.163 11.283) 30.544 3.650 ( -7.238 1.698 5.252) 9.103 3.752 ( -0.714 4.578 -2.435) 5.234 3.964 ( 1.159 -1.981 -1.227) 2.603 4.248 ( -4.441 -4.526 1.379) 6.489 4.385 ( -20.388 1.491 20.809) 29.170 4.523 ( -0.731 2.047 4.442) 4.945 4.567 ( 3.706 -4.091 -2.684) 6.138 4.831 ( -5.348 -6.585 4.601) 9.650 4.978 ( 1.796 0.288 1.170) 2.163 5.101 ( -1.352 -1.831 -5.976) 6.395 5.466 ( -0.534 2.617 -1.259) 2.953 5.545 ( -3.096 -1.735 -0.744) 3.626 5.619 ( 6.491 -1.659 1.373) 6.839 5.698 ( -10.086 -2.422 2.939) 10.781 5.917 ( -5.364 -0.407 -4.958) 7.316 6.036 ( -6.894 0.432 7.750) 10.382 6.484 ( 7.299 -0.136 -7.799) 10.683 6.750 ( 2.380 1.368 6.268) 6.843 7.266 ( 4.778 9.685 -6.351) 12.528 7.852 ( 0.804 -1.493 -11.386) 11.512 7.886 ( 7.089 -2.819 -5.599) 9.464 7.986 ( 14.101 -0.021 3.713) 14.581 8.264 ( 16.066 -0.041 -8.029) 17.961 8.935 ( -4.887 1.625 4.677) 6.957 9.036 ( -0.924 -1.132 -1.007) 1.775 9.760 ( 5.252 -7.759 -0.778) 9.402 10.725 ( -11.907 0.101 -1.076) 11.956 11.947 ( -1.286 0.378 4.639) 4.829 12.525 ( 3.314 1.355 -3.568) 5.054 12.564 ( 5.550 0.170 -0.094) 5.553 12.846 ( 0.426 -3.082 -1.914) 3.652 12.891 ( -3.061 -6.188 1.871) 7.152 13.380 ( -3.636 0.994 -3.306) 5.014 13.436 ( -3.221 -1.710 6.904) 7.808 13.474 ( -1.236 -2.233 1.181) 2.813 13.933 ( -4.506 5.491 -0.200) 7.106 14.205 ( 0.361 1.224 -6.102) 6.234 14.713 ( 2.121 0.378 3.670) 4.256 15.231 ( 3.159 -1.326 -2.331) 4.144 15.451 ( 2.629 -0.803 1.078) 2.953 16.161 ( -4.562 1.871 3.940) 6.312 16.253 ( -1.332 0.272 -1.197) 1.811 16.358 ( -0.385 1.212 -1.666) 2.096 18.511 ( 8.297 1.118 -5.219) 9.866 18.723 ( -6.619 -0.082 3.660) 7.564 24.121 ( -7.844 1.147 6.018) 9.953 24.355 ( -12.094 -1.603 5.155) 13.245 25.719 ( 4.371 -1.134 -3.818) 5.913 26.015 ( 0.496 1.124 -4.522) 4.685 26.321 ( 3.778 -1.071 8.514) 9.375 26.584 ( 1.284 -0.065 -0.580) 1.410 26.700 ( -0.131 -0.613 0.116) 0.638 27.951 ( 1.533 -3.026 1.558) 3.733 28.176 ( -6.723 2.591 -7.109) 10.122 28.377 ( -7.416 1.499 4.628) 8.870 28.752 ( 0.120 -0.602 0.386) 0.725 28.792 ( -1.548 -2.053 0.995) 2.757 29.153 ( 0.831 -0.638 8.708) 8.770 30.085 ( 16.126 3.854 -16.586) 23.452 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -6.284 15.001 12.690) 20.629 1.929 ( -4.131 13.498 6.307) 15.461 2.138 ( -3.441 4.367 -7.424) 9.275 2.358 ( -0.726 5.537 -8.231) 9.947 2.413 ( -1.075 -3.812 5.837) 7.054 2.546 ( 0.367 2.163 5.335) 5.769 2.586 ( -0.021 -0.452 0.615) 0.764 2.717 ( 2.040 0.747 1.083) 2.427 2.884 ( 1.562 -2.798 4.136) 5.232 2.939 ( -2.687 3.616 0.869) 4.588 3.170 ( -24.991 -1.430 9.995) 26.954 3.284 ( 1.794 1.494 1.218) 2.633 3.384 ( 0.718 8.979 -2.180) 9.268 3.547 ( -1.341 8.734 8.592) 12.325 3.797 ( 6.875 -2.954 -4.977) 8.987 3.993 ( -0.931 -1.001 1.542) 2.060 4.056 ( -16.960 1.080 9.367) 19.405 4.438 ( 0.024 -7.284 12.194) 14.204 4.519 ( -1.145 -0.497 4.901) 5.057 4.615 ( -2.995 -0.423 -6.783) 7.427 4.806 ( -2.653 -5.250 1.328) 6.030 4.993 ( 0.749 0.570 -1.416) 1.700 5.127 ( 0.609 -4.376 0.108) 4.420 5.430 ( 1.595 1.371 -4.937) 5.367 5.556 ( -1.552 -2.718 2.509) 4.011 5.603 ( -9.932 -3.992 6.402) 12.473 5.753 ( 7.598 -2.723 -0.155) 8.073 5.839 ( -3.314 -2.171 -3.299) 5.155 6.011 ( -3.743 -0.507 9.936) 10.630 6.499 ( 3.046 3.107 -4.187) 6.038 6.810 ( 3.478 0.542 -0.920) 3.638 7.157 ( 2.773 10.878 -7.790) 13.664 7.852 ( 2.908 -2.945 -7.697) 8.739 8.005 ( 8.205 -3.607 -6.583) 11.120 8.189 ( 10.493 1.371 3.856) 11.263 8.398 ( 7.664 0.741 -6.709) 10.212 8.803 ( -13.974 -0.771 12.350) 18.665 9.133 ( 13.736 0.266 -12.250) 18.407 9.945 ( 4.883 -9.151 2.287) 10.621 10.509 ( -14.768 -0.747 -2.996) 15.087 11.980 ( 1.000 0.254 7.659) 7.728 12.511 ( 1.191 0.798 -6.894) 7.042 12.683 ( 9.973 0.741 1.953) 10.190 12.825 ( -9.536 -5.951 6.766) 13.120 12.975 ( 2.866 -4.919 -3.886) 6.893 13.238 ( -9.298 0.172 -2.909) 9.743 13.449 ( -0.475 -1.390 5.895) 6.075 13.607 ( 8.482 -4.096 1.592) 9.552 13.796 ( -4.706 3.412 -2.683) 6.402 14.131 ( -2.989 1.004 -7.314) 7.965 14.791 ( 3.257 -0.028 7.681) 8.343 15.251 ( 1.449 0.937 -4.042) 4.395 15.532 ( 5.295 -1.155 3.385) 6.390 16.062 ( -8.106 1.064 -0.450) 8.188 16.223 ( -0.163 2.058 -0.549) 2.137 16.306 ( -2.263 2.237 -1.294) 3.435 18.592 ( 6.383 1.375 -3.512) 7.414 18.641 ( -4.977 -0.147 1.285) 5.142 24.034 ( -6.073 1.420 6.166) 8.770 24.220 ( -10.543 -1.101 2.548) 10.902 25.779 ( 4.217 -1.453 -3.227) 5.506 25.957 ( -2.265 0.422 -5.495) 5.958 26.523 ( 9.329 -2.913 10.375) 14.253 26.626 ( 3.331 -0.216 4.872) 5.906 26.719 ( 1.604 -1.704 2.699) 3.572 27.893 ( -11.264 -2.331 -9.011) 14.612 28.129 ( 4.081 -0.229 1.833) 4.479 28.286 ( -6.204 -0.194 2.903) 6.852 28.767 ( -0.009 -1.024 1.009) 1.437 28.797 ( -0.612 -1.344 0.151) 1.484 29.192 ( -0.637 3.646 10.386) 11.026 30.110 ( 9.493 6.626 -21.713) 24.607 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.661 16.299 12.738) 20.696 1.762 ( -1.178 15.743 10.963) 19.221 1.989 ( -0.013 5.068 -11.248) 12.337 2.219 ( 1.076 7.007 -10.759) 12.884 2.484 ( 0.366 0.146 14.013) 14.018 2.506 ( -5.653 3.215 6.459) 9.166 2.605 ( 3.022 0.575 3.050) 4.332 2.702 ( -2.651 1.147 2.860) 4.065 2.878 ( 0.083 -0.196 -0.476) 0.522 2.971 ( -7.428 5.296 5.811) 10.816 3.037 ( 4.996 -3.444 -0.624) 6.100 3.247 ( 2.148 4.228 1.552) 4.990 3.308 ( 0.470 4.779 2.953) 5.637 3.469 ( 0.684 8.145 -1.264) 8.271 3.866 ( -9.890 -0.794 10.273) 14.282 3.949 ( -0.059 -0.381 -0.057) 0.390 3.985 ( 1.846 -0.821 2.188) 2.978 4.447 ( -6.315 2.569 -7.674) 10.264 4.550 ( 0.761 -0.354 7.538) 7.584 4.625 ( 0.431 -8.747 10.519) 13.687 4.904 ( 3.700 -3.156 1.012) 4.967 4.985 ( 0.589 -3.172 -6.028) 6.837 5.181 ( -0.312 -3.812 0.748) 3.897 5.407 ( -1.344 -0.286 -5.064) 5.247 5.545 ( -7.903 -4.896 8.411) 12.537 5.592 ( -2.880 -1.887 6.189) 7.082 5.800 ( -5.021 -4.714 1.290) 7.007 5.924 ( 6.399 -1.667 3.172) 7.334 6.058 ( 2.675 -3.414 4.051) 5.935 6.497 ( 6.115 2.340 -5.879) 8.800 6.816 ( 1.242 0.843 -5.412) 5.616 7.018 ( 1.725 10.848 -6.930) 12.988 7.899 ( 3.783 -2.840 -6.623) 8.138 8.117 ( 6.997 -1.488 -6.546) 9.696 8.291 ( 2.966 1.497 1.952) 3.853 8.395 ( -1.132 0.141 -8.175) 8.254 8.710 ( -9.660 -1.776 11.015) 14.758 9.254 ( 12.760 0.744 -13.501) 18.592 10.102 ( -2.398 -5.902 6.832) 9.341 10.335 ( -6.356 -4.390 -3.113) 8.328 12.050 ( 2.316 -0.117 8.434) 8.747 12.474 ( 0.966 0.118 -9.198) 9.250 12.742 ( -8.898 -1.160 5.869) 10.722 12.867 ( 7.183 0.158 2.191) 7.511 13.021 ( -3.378 -5.774 -1.087) 6.778 13.126 ( -1.518 -1.857 -3.115) 3.932 13.515 ( 1.752 -1.916 5.569) 6.144 13.689 ( -3.425 1.275 -2.247) 4.290 13.791 ( 5.502 -3.781 2.884) 7.272 14.028 ( -3.453 -0.131 -6.992) 7.799 14.885 ( 2.598 -0.679 8.419) 8.836 15.213 ( -1.293 0.966 -4.349) 4.639 15.668 ( 8.022 -0.703 4.098) 9.035 15.903 ( -7.237 1.626 -5.989) 9.534 16.172 ( -2.868 4.073 1.857) 5.316 16.258 ( 0.087 1.638 0.083) 1.642 18.525 ( -7.371 0.757 2.246) 7.743 18.695 ( 7.880 0.535 -4.361) 9.022 23.993 ( -1.892 1.420 6.581) 6.993 24.119 ( -4.848 0.292 2.218) 5.339 25.834 ( 2.930 -1.357 -2.393) 4.019 25.886 ( -2.975 -0.199 -4.813) 5.662 26.629 ( 1.138 -1.126 1.638) 2.290 26.690 ( 0.467 -1.406 -0.065) 1.483 27.011 ( 17.940 -8.562 19.669) 27.965 27.669 ( -13.708 -2.751 -12.073) 18.472 28.157 ( -5.581 -0.411 4.923) 7.453 28.291 ( 4.486 -2.354 0.309) 5.075 28.773 ( -1.690 -0.971 1.401) 2.400 28.831 ( 3.367 -1.725 -0.675) 3.843 29.170 ( -1.755 7.311 10.912) 13.252 29.947 ( 0.950 11.844 -24.507) 27.235 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 2.184 15.538 12.624) 20.139 1.709 ( 7.693 12.672 14.351) 20.633 1.934 ( 7.908 3.012 -12.811) 15.354 2.131 ( 6.848 6.784 -12.332) 15.653 2.410 ( -6.604 0.961 4.226) 7.899 2.551 ( -3.574 2.141 11.842) 12.554 2.674 ( 2.095 2.113 13.383) 13.710 2.742 ( 9.646 -1.134 1.407) 9.813 2.847 ( -5.418 -0.382 3.513) 6.469 2.892 ( 0.714 5.044 2.362) 5.616 3.075 ( 0.778 3.797 0.440) 3.901 3.213 ( 0.988 3.313 -4.178) 5.422 3.338 ( 5.469 1.971 -3.505) 6.788 3.523 ( 18.047 2.246 0.223) 18.187 3.765 ( -8.359 -0.301 6.047) 10.321 3.878 ( -7.221 2.284 6.262) 9.827 4.108 ( 6.744 -1.306 2.261) 7.232 4.330 ( 0.142 2.214 -6.347) 6.723 4.612 ( -0.689 0.073 11.359) 11.380 4.755 ( -2.356 -2.745 12.686) 13.192 4.922 ( 2.374 2.693 -5.590) 6.644 5.071 ( 2.896 -9.260 -3.698) 10.383 5.221 ( 0.192 -3.972 -3.245) 5.132 5.306 ( -11.452 -2.112 -1.426) 11.732 5.570 ( 0.848 -2.155 3.990) 4.613 5.612 ( -5.447 -3.373 8.291) 10.478 5.766 ( -7.127 -3.378 4.049) 8.866 6.016 ( 1.260 0.340 9.489) 9.579 6.221 ( 8.256 -7.894 -0.909) 11.459 6.548 ( 6.931 -0.046 -11.325) 13.278 6.762 ( -1.440 3.961 -5.970) 7.308 6.918 ( 4.543 5.458 -4.313) 8.308 7.943 ( 4.003 -1.725 -7.894) 9.018 8.133 ( -1.241 3.363 -2.842) 4.575 8.254 ( -6.074 2.190 0.027) 6.457 8.305 ( -2.826 -4.171 -16.029) 16.802 8.680 ( -5.351 -1.769 9.508) 11.053 9.329 ( 9.556 1.489 -13.627) 16.710 10.055 ( -12.653 -3.743 7.672) 15.263 10.428 ( 6.643 -5.716 1.256) 8.853 12.146 ( 3.521 -0.729 7.939) 8.715 12.432 ( 1.438 0.174 -11.052) 11.147 12.631 ( -9.133 0.084 3.673) 9.844 12.808 ( -10.914 2.708 2.015) 11.424 13.115 ( 6.256 -3.358 0.184) 7.103 13.208 ( 7.213 -3.905 -1.099) 8.275 13.575 ( -0.549 -0.411 1.114) 1.309 13.637 ( -1.116 -0.959 1.032) 1.797 13.842 ( -2.943 -1.288 2.029) 3.800 13.988 ( -0.337 -0.453 -2.663) 2.722 14.975 ( 1.627 -0.949 7.511) 7.743 15.163 ( -3.001 -3.293 -4.784) 6.537 15.733 ( -1.081 2.517 -2.776) 3.900 15.875 ( 8.894 -1.108 1.083) 9.028 16.085 ( -3.789 3.751 3.362) 6.303 16.255 ( 1.623 1.952 0.403) 2.570 18.428 ( -5.743 0.605 1.720) 6.026 18.772 ( 5.719 0.319 -2.584) 6.284 24.030 ( 3.366 0.955 7.884) 8.625 24.105 ( 1.595 0.766 2.757) 3.276 25.815 ( -3.267 -0.493 -4.029) 5.210 25.867 ( 1.030 -0.619 -1.785) 2.152 26.654 ( 0.013 -0.290 1.789) 1.812 26.706 ( -0.177 -1.632 -1.140) 1.999 27.378 ( -12.232 -4.614 -8.618) 15.658 27.586 ( 16.669 -13.835 10.658) 24.143 28.086 ( -7.512 -0.212 4.641) 8.833 28.404 ( 4.706 -3.691 0.490) 6.000 28.764 ( -1.476 -0.444 0.820) 1.746 28.921 ( 5.452 -1.575 0.200) 5.679 29.107 ( -0.839 8.554 8.677) 12.214 29.607 ( -4.381 17.801 -20.154) 27.244 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -2.493 -0.000 6.759) 7.204 2.152 ( -3.556 -0.000 1.677) 3.932 2.246 ( -2.355 -0.000 4.245) 4.854 2.316 ( 0.264 0.000 -4.866) 4.873 2.471 ( -1.243 -0.000 -3.855) 4.050 2.497 ( 6.132 0.000 -2.915) 6.789 2.564 ( 5.765 0.000 1.575) 5.976 2.622 ( -0.349 -0.000 11.783) 11.789 2.954 ( -0.979 -0.000 5.830) 5.911 2.971 ( -8.136 -0.000 -3.098) 8.705 3.207 ( 4.028 0.000 3.316) 5.217 3.428 ( 5.930 0.000 -0.445) 5.946 3.601 ( -35.996 -0.000 15.790) 39.306 3.604 ( 7.849 0.000 -6.221) 10.015 3.849 ( -2.056 -0.000 1.178) 2.369 3.925 ( 0.918 0.000 -5.173) 5.254 4.177 ( -1.613 -0.000 2.972) 3.382 4.443 ( -18.047 -0.000 17.533) 25.162 4.513 ( 3.699 0.000 -2.957) 4.736 4.631 ( -5.754 -0.000 11.563) 12.916 4.651 ( -1.552 -0.000 1.496) 2.156 4.981 ( 2.348 0.000 2.013) 3.093 5.082 ( -3.224 -0.000 -8.655) 9.236 5.507 ( -0.860 -0.000 3.389) 3.496 5.512 ( -4.895 -0.000 -4.041) 6.348 5.602 ( 6.769 0.000 0.463) 6.784 5.666 ( -12.083 -0.000 3.820) 12.672 5.914 ( -3.538 -0.000 -8.433) 9.145 6.043 ( -7.500 -0.000 8.131) 11.062 6.473 ( 9.769 0.000 -8.407) 12.888 6.781 ( 0.266 0.000 9.457) 9.460 7.386 ( 3.797 0.000 -7.721) 8.604 7.833 ( 0.105 0.000 -12.157) 12.157 7.846 ( 6.160 0.000 -5.576) 8.309 7.986 ( 15.214 0.000 5.671) 16.236 8.264 ( 16.499 0.000 -6.919) 17.891 8.973 ( -19.778 -0.000 15.519) 25.140 9.002 ( 13.255 0.000 -11.453) 17.518 9.662 ( 4.307 0.000 -0.509) 4.337 10.727 ( -11.670 -0.000 -2.002) 11.841 11.954 ( -1.126 -0.000 4.687) 4.821 12.545 ( 2.818 0.000 -3.791) 4.723 12.568 ( 6.462 0.000 0.064) 6.463 12.806 ( -9.154 -0.000 7.490) 11.828 12.814 ( 7.010 0.000 -8.781) 11.236 13.404 ( 4.427 0.000 -2.727) 5.200 13.420 ( -11.253 -0.000 4.503) 12.121 13.430 ( -1.968 -0.000 3.517) 4.031 14.003 ( -7.269 -0.000 1.509) 7.424 14.219 ( 0.361 0.000 -7.177) 7.186 14.719 ( 1.690 0.000 2.779) 3.253 15.203 ( 3.695 0.000 -1.171) 3.876 15.450 ( 4.389 0.000 0.089) 4.390 16.187 ( -6.492 -0.000 3.657) 7.451 16.253 ( -0.007 -0.000 -0.149) 0.149 16.372 ( 0.236 0.000 -2.006) 2.020 18.527 ( 8.371 0.000 -5.500) 10.016 18.721 ( -6.647 -0.000 3.863) 7.688 24.137 ( -7.763 -0.000 6.106) 9.876 24.338 ( -11.813 -0.000 5.739) 13.133 25.705 ( 4.398 0.000 -3.714) 5.756 26.029 ( -0.310 -0.000 -4.546) 4.556 26.308 ( 3.630 0.000 8.372) 9.125 26.583 ( 1.154 0.000 -1.000) 1.527 26.693 ( -0.265 -0.000 -0.309) 0.408 27.912 ( 1.623 0.000 0.877) 1.845 28.214 ( -7.339 -0.000 -9.320) 11.863 28.401 ( -9.838 -0.000 6.903) 12.019 28.737 ( 0.249 0.000 0.615) 0.663 28.772 ( 0.425 0.000 -1.022) 1.107 29.138 ( 3.131 0.000 10.768) 11.214 30.128 ( 15.595 0.000 -15.888) 22.263 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -1.579 13.779 9.564) 16.847 2.185 ( -0.954 3.854 -1.065) 4.111 2.200 ( -0.934 1.452 5.513) 5.777 2.289 ( -2.807 -4.823 2.377) 6.066 2.438 ( 1.028 1.707 -4.303) 4.742 2.551 ( 0.127 -1.310 1.309) 1.857 2.620 ( -0.321 2.663 3.619) 4.505 2.681 ( 1.768 -2.667 2.309) 3.946 2.858 ( -3.408 0.164 -1.322) 3.659 2.967 ( -4.224 0.111 7.401) 8.523 3.113 ( -27.582 -1.733 10.560) 29.586 3.299 ( 3.014 -2.268 2.518) 4.535 3.530 ( 6.659 6.137 -2.687) 9.446 3.713 ( 7.103 -3.930 -4.440) 9.252 3.793 ( -0.582 7.398 1.638) 7.600 3.937 ( -0.472 -2.724 -1.267) 3.041 4.097 ( -12.485 0.668 5.907) 13.828 4.342 ( -3.178 1.196 13.241) 13.669 4.550 ( -2.918 1.944 4.465) 5.677 4.572 ( -0.342 -2.631 0.104) 2.655 4.703 ( -2.057 -3.538 2.345) 4.716 4.984 ( -1.268 -0.826 -9.053) 9.178 5.061 ( 3.286 -1.243 4.041) 5.355 5.452 ( 0.520 0.187 -5.321) 5.349 5.510 ( -4.877 -0.832 1.962) 5.322 5.538 ( -5.750 -1.559 6.210) 8.606 5.689 ( 4.046 -1.929 -0.718) 4.540 5.812 ( -4.418 -0.387 -6.841) 8.153 6.013 ( -4.266 0.259 11.053) 11.850 6.539 ( 5.263 0.496 -6.644) 8.490 6.842 ( 1.747 1.564 6.682) 7.082 7.350 ( 2.035 4.572 -9.389) 10.640 7.798 ( 2.701 -1.375 -8.918) 9.419 7.918 ( 6.476 -2.512 -6.772) 9.700 8.211 ( 10.164 0.563 5.791) 11.711 8.421 ( 8.657 0.703 -4.181) 9.639 8.784 ( -17.191 -0.560 15.170) 22.934 9.145 ( 16.086 0.536 -14.496) 21.661 9.774 ( 6.101 -4.468 2.772) 8.054 10.496 ( -16.002 -0.261 -4.817) 16.714 11.991 ( 0.986 0.478 8.430) 8.501 12.545 ( 2.123 1.605 -6.599) 7.115 12.663 ( 2.685 -2.323 2.747) 4.489 12.765 ( 0.015 0.907 4.694) 4.781 12.872 ( 3.743 -3.542 -5.311) 7.401 13.243 ( -11.218 0.135 -1.538) 11.323 13.444 ( 0.971 0.929 6.132) 6.277 13.519 ( 6.846 -3.117 1.039) 7.594 13.860 ( -8.729 1.636 -2.188) 9.146 14.145 ( -3.215 0.282 -9.576) 10.105 14.794 ( 3.315 0.164 7.833) 8.508 15.253 ( 3.703 -0.296 -3.665) 5.219 15.534 ( 6.247 0.504 3.099) 6.991 16.080 ( -8.603 0.460 -0.160) 8.617 16.254 ( 0.270 0.677 1.052) 1.280 16.342 ( -1.978 0.778 -2.144) 3.019 18.620 ( 7.710 0.764 -4.921) 9.178 18.638 ( -6.223 -0.142 2.531) 6.719 24.061 ( -6.172 0.702 6.364) 8.893 24.207 ( -8.969 -0.189 3.613) 9.671 25.754 ( 4.261 -0.558 -3.031) 5.259 25.962 ( -3.194 0.107 -5.703) 6.537 26.479 ( 8.834 -0.933 9.378) 12.917 26.626 ( 3.709 0.153 6.039) 7.089 26.686 ( -0.391 -0.904 -0.236) 1.013 27.847 ( -9.685 -1.231 -9.162) 13.389 28.145 ( 4.585 0.828 -1.931) 5.044 28.288 ( -9.217 0.140 4.759) 10.375 28.746 ( -0.101 -0.578 0.683) 0.901 28.775 ( 0.421 -0.472 -0.983) 1.169 29.241 ( 1.382 0.874 13.202) 13.303 30.201 ( 9.018 1.744 -19.405) 21.469 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.244 15.824 7.833) 17.799 2.084 ( 0.196 10.950 3.667) 11.549 2.121 ( -2.212 6.304 -2.497) 7.132 2.353 ( -0.572 2.911 -2.490) 3.873 2.449 ( 4.669 -1.386 7.804) 9.199 2.536 ( -7.134 -0.273 3.609) 7.999 2.604 ( 2.008 -1.141 6.298) 6.708 2.701 ( -4.348 -0.558 0.835) 4.462 2.860 ( 1.655 -0.652 -0.308) 1.805 2.894 ( -0.788 -4.211 -1.411) 4.511 3.062 ( 0.680 -3.380 9.145) 9.774 3.328 ( 0.119 3.367 -1.322) 3.619 3.504 ( 0.090 6.710 -0.821) 6.761 3.686 ( 1.522 8.799 -2.377) 9.240 3.823 ( -4.552 0.136 10.560) 11.501 3.900 ( 0.444 -3.095 -0.435) 3.157 4.000 ( -5.107 1.792 8.474) 10.055 4.426 ( -1.570 -5.551 6.130) 8.418 4.475 ( -5.731 -1.530 3.260) 6.769 4.581 ( 4.125 3.228 -2.289) 5.716 4.768 ( 4.312 -4.817 -1.012) 6.544 4.956 ( -0.086 -2.820 -6.484) 7.072 5.130 ( 1.007 -0.209 4.132) 4.259 5.432 ( -0.306 1.415 -4.259) 4.498 5.451 ( -5.184 -2.433 6.988) 9.035 5.557 ( -1.624 -0.856 4.682) 5.029 5.714 ( -4.732 -2.445 -2.512) 5.889 5.814 ( 6.334 -7.184 -4.337) 10.514 6.026 ( -2.002 0.352 10.724) 10.915 6.550 ( 2.954 1.721 -5.133) 6.168 6.852 ( -0.346 2.406 1.575) 2.896 7.243 ( 0.675 7.587 -9.124) 11.886 7.836 ( 4.876 -2.228 -7.006) 8.822 8.017 ( 6.542 -5.390 -9.243) 12.541 8.320 ( 1.262 1.110 4.962) 5.239 8.445 ( -0.314 2.449 -3.150) 4.003 8.665 ( -11.446 -1.730 12.913) 17.342 9.285 ( 15.558 1.699 -15.170) 21.795 9.957 ( 5.143 -5.760 6.796) 10.286 10.245 ( -14.257 -2.881 -4.913) 15.353 12.058 ( 1.876 0.672 9.419) 9.627 12.503 ( 1.474 2.161 -8.316) 8.717 12.692 ( -5.389 -3.137 3.684) 7.243 12.862 ( 9.675 -0.933 0.110) 9.720 12.925 ( -0.570 -1.775 1.133) 2.182 13.092 ( -6.010 -1.014 -2.977) 6.783 13.499 ( 2.459 0.769 7.080) 7.534 13.684 ( 6.357 -4.589 1.698) 8.022 13.718 ( -5.260 0.510 -2.487) 5.840 14.022 ( -5.057 -0.226 -10.098) 11.295 14.884 ( 2.537 0.280 8.599) 8.970 15.250 ( 0.456 1.738 -6.036) 6.298 15.668 ( 9.039 0.405 5.662) 10.674 15.930 ( -8.200 0.722 -4.835) 9.547 16.247 ( -1.390 2.313 1.342) 3.014 16.287 ( -1.494 0.797 0.032) 1.693 18.539 ( -7.295 0.396 2.290) 7.656 18.710 ( 7.915 0.649 -4.808) 9.283 24.024 ( -2.108 1.135 6.810) 7.219 24.130 ( -3.641 0.458 3.019) 4.752 25.806 ( 3.281 -0.958 -1.994) 3.958 25.881 ( -3.477 -0.169 -5.128) 6.198 26.600 ( 2.802 -1.134 0.927) 3.162 26.663 ( -0.660 -0.734 -0.889) 1.329 26.878 ( 13.907 -3.471 18.942) 23.754 27.618 ( -12.860 -1.572 -14.043) 19.107 28.166 ( -6.223 0.693 3.638) 7.242 28.260 ( 6.584 -0.510 0.015) 6.604 28.754 ( -0.586 -0.636 0.747) 1.142 28.791 ( 1.531 -1.472 -0.941) 2.323 29.297 ( -1.339 3.518 14.353) 14.838 30.125 ( 1.333 4.319 -21.855) 22.318 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 3.108 16.578 5.891) 17.866 1.997 ( 2.290 11.588 9.261) 15.010 2.042 ( 5.123 5.886 -7.666) 10.939 2.278 ( 3.096 5.344 -6.056) 8.650 2.425 ( -8.786 0.760 3.814) 9.608 2.540 ( -6.093 -1.353 2.111) 6.588 2.663 ( 1.378 -2.821 7.997) 8.592 2.753 ( 9.460 1.898 3.818) 10.376 2.846 ( -0.539 0.018 1.259) 1.370 3.047 ( 9.147 -0.604 -0.153) 9.168 3.154 ( 3.035 5.792 2.358) 6.951 3.304 ( 5.560 -1.040 0.473) 5.677 3.361 ( -5.043 6.447 0.626) 8.209 3.630 ( 4.099 4.371 -1.996) 6.316 3.769 ( -3.420 2.154 7.973) 8.939 3.926 ( -7.822 2.172 8.546) 11.787 4.045 ( 6.780 -3.871 4.236) 8.883 4.359 ( -3.719 -0.537 -1.738) 4.140 4.576 ( 1.418 -3.721 5.403) 6.712 4.657 ( 5.285 -1.914 7.361) 9.262 4.878 ( 1.891 -5.921 -4.389) 7.609 4.968 ( 3.676 -0.831 -3.600) 5.212 5.156 ( 0.256 -1.363 0.413) 1.447 5.343 ( -3.275 4.690 -4.161) 7.073 5.478 ( -2.211 -3.599 7.255) 8.395 5.570 ( -1.340 -1.123 5.066) 5.359 5.670 ( -6.353 -4.327 0.936) 7.744 5.978 ( 4.251 -6.151 0.870) 7.528 6.084 ( 2.596 -2.695 5.339) 6.520 6.542 ( 2.904 0.252 -7.513) 8.058 6.809 ( -1.735 2.175 0.075) 2.783 7.101 ( -0.605 8.254 -7.862) 11.415 7.893 ( 5.047 -2.107 -8.615) 10.204 8.109 ( 4.737 -5.627 -12.536) 14.535 8.281 ( -6.819 1.552 2.215) 7.336 8.324 ( -8.313 3.762 -2.895) 9.573 8.629 ( -5.920 -2.298 10.361) 12.152 9.382 ( 12.066 2.993 -13.499) 18.352 9.972 ( -12.618 -2.907 3.875) 13.516 10.262 ( 7.048 -7.970 3.387) 11.165 12.139 ( 2.791 0.190 8.371) 8.826 12.454 ( 2.406 1.571 -10.613) 10.995 12.640 ( -5.695 0.215 2.230) 6.120 12.824 ( -11.730 -1.718 0.375) 11.861 13.068 ( 10.182 -0.009 3.930) 10.914 13.106 ( 5.782 -4.109 -2.280) 7.451 13.571 ( 2.437 0.205 5.672) 6.176 13.626 ( -3.443 0.126 -1.814) 3.894 13.812 ( -0.665 -1.792 1.558) 2.466 13.934 ( 0.108 -3.376 -7.081) 7.845 14.961 ( 1.829 -0.171 7.508) 7.729 15.162 ( -3.642 2.525 -6.388) 7.775 15.779 ( -2.811 1.279 -4.954) 5.838 15.856 ( 8.917 -0.502 3.996) 9.785 16.170 ( -4.363 3.192 1.657) 5.654 16.289 ( 0.978 0.964 1.814) 2.276 18.443 ( -5.713 0.705 1.044) 5.850 18.782 ( 5.600 0.484 -2.959) 6.352 24.057 ( 2.901 1.301 7.853) 8.472 24.124 ( 1.364 0.831 3.142) 3.525 25.806 ( -3.235 -0.319 -4.587) 5.622 25.848 ( 1.922 -0.889 -0.941) 2.317 26.638 ( 0.314 -0.934 0.732) 1.228 26.663 ( -0.363 -1.789 -1.202) 2.186 27.259 ( 7.019 -4.869 10.543) 13.569 27.388 ( -3.249 -4.191 -7.100) 8.862 28.088 ( -5.568 -0.227 2.264) 6.015 28.367 ( 6.636 0.381 0.122) 6.648 28.751 ( -0.942 -0.452 0.503) 1.160 28.858 ( 4.579 -3.285 -0.848) 5.699 29.284 ( -3.697 5.982 13.937) 15.611 29.897 ( -5.005 7.996 -21.186) 23.191 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 4.917 14.299 7.394) 16.832 1.999 ( 4.580 6.053 6.344) 9.892 2.022 ( 6.315 5.432 -5.018) 9.724 2.262 ( 5.488 6.087 -7.360) 11.016 2.322 ( -4.379 -1.066 2.904) 5.361 2.423 ( -12.517 -3.164 4.916) 13.815 2.730 ( -1.906 -0.504 -1.419) 2.429 2.832 ( 2.582 0.146 3.857) 4.644 2.952 ( 10.303 1.081 0.171) 10.361 3.095 ( 5.493 9.628 7.423) 13.340 3.112 ( 2.103 0.961 -1.997) 3.055 3.202 ( -4.631 3.684 -4.812) 7.627 3.431 ( -0.088 0.391 4.698) 4.715 3.675 ( 1.622 -0.355 -0.907) 1.892 3.772 ( 0.022 0.880 -2.853) 2.985 3.970 ( 16.095 3.405 17.968) 24.362 4.209 ( 6.980 -2.231 4.663) 8.686 4.338 ( -0.442 0.067 2.643) 2.681 4.659 ( 1.233 -1.970 7.009) 7.385 4.788 ( 0.908 -0.961 10.473) 10.556 4.877 ( -3.825 -2.243 -4.088) 6.031 5.041 ( 1.336 -3.244 -2.623) 4.380 5.168 ( -1.915 -2.585 -3.184) 4.526 5.223 ( 6.707 7.844 -9.993) 14.366 5.520 ( -6.541 -2.587 9.016) 11.435 5.604 ( 1.670 -1.633 3.327) 4.065 5.653 ( -5.071 -5.317 7.182) 10.275 6.093 ( 3.561 -1.734 4.962) 6.349 6.209 ( 3.689 -7.667 -1.048) 8.573 6.533 ( 0.640 -1.379 -9.811) 9.929 6.769 ( -0.389 2.183 0.055) 2.218 6.956 ( -2.631 4.476 -5.778) 7.768 7.929 ( 4.133 -1.896 -11.507) 12.373 8.085 ( -13.094 4.332 -3.842) 14.317 8.117 ( -6.142 -0.523 -3.353) 7.017 8.150 ( -3.078 -1.551 -11.644) 12.143 8.656 ( -0.935 -2.090 6.999) 7.364 9.415 ( 6.472 3.332 -9.834) 12.235 9.854 ( -11.088 -3.753 4.307) 12.473 10.501 ( 8.785 -5.728 6.898) 12.552 12.231 ( 3.783 -0.651 4.931) 6.248 12.413 ( 2.160 1.087 -11.567) 11.817 12.567 ( -2.757 1.649 0.195) 3.218 12.655 ( -11.606 0.442 1.625) 11.727 13.179 ( 2.690 -0.574 7.535) 8.021 13.298 ( 10.484 -3.777 -1.834) 11.293 13.556 ( -2.393 2.128 -0.999) 3.354 13.621 ( -0.351 -1.449 -0.088) 1.493 13.819 ( 2.305 -1.930 1.567) 3.390 13.950 ( -2.177 -1.104 -0.851) 2.585 15.027 ( -2.391 -2.313 -0.283) 3.339 15.036 ( -2.241 1.115 -0.593) 2.572 15.714 ( 0.025 0.452 -6.493) 6.508 16.017 ( 5.295 0.351 5.743) 7.819 16.096 ( -0.298 1.890 3.021) 3.576 16.302 ( 1.215 1.245 1.395) 2.230 18.374 ( -2.816 0.492 0.049) 2.859 18.829 ( 2.627 0.272 -0.739) 2.742 24.159 ( 4.759 0.702 5.783) 7.522 24.185 ( 5.403 0.763 7.711) 9.446 25.743 ( -2.264 -0.325 -4.122) 4.714 25.869 ( 0.607 0.008 -0.222) 0.647 26.650 ( -0.856 -2.235 -1.187) 2.671 26.673 ( -0.113 -0.559 0.245) 0.621 27.065 ( -13.256 -1.293 -16.239) 21.002 27.741 ( 11.216 -9.948 16.075) 21.981 28.040 ( -1.133 0.165 0.085) 1.148 28.441 ( 3.560 -0.379 -0.183) 3.585 28.745 ( -0.766 -0.410 0.323) 0.927 28.985 ( 6.167 -2.807 0.370) 6.786 29.225 ( -2.213 5.904 9.812) 11.663 29.585 ( -6.548 10.590 -15.620) 19.975 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -1.182 0.000 0.313) 1.223 2.185 ( 1.082 -0.000 -4.192) 4.330 2.260 ( -1.593 0.000 6.659) 6.847 2.323 ( 9.252 -0.000 13.529) 16.390 2.457 ( 4.041 -0.000 -0.950) 4.151 2.507 ( -5.683 -0.000 4.574) 7.295 2.590 ( -8.092 -0.000 8.312) 11.600 2.679 ( -0.519 -0.000 -0.148) 0.539 2.856 ( 5.107 -0.000 -0.673) 5.151 2.857 ( -5.400 -0.000 -0.213) 5.405 2.998 ( -2.419 -0.000 8.754) 9.082 3.326 ( 1.942 -0.000 -0.137) 1.947 3.601 ( -1.877 0.000 -2.468) 3.101 3.739 ( 2.690 -0.000 -5.175) 5.833 3.848 ( -6.206 -0.000 2.598) 6.727 3.886 ( 3.567 0.000 1.331) 3.807 4.048 ( -2.182 -0.000 10.634) 10.855 4.405 ( -14.269 -0.000 7.307) 16.031 4.411 ( 2.624 0.000 6.766) 7.257 4.624 ( 7.174 -0.000 -5.096) 8.800 4.726 ( 2.791 -0.000 2.470) 3.727 4.901 ( 0.381 -0.000 -10.467) 10.474 5.133 ( 1.569 -0.000 5.176) 5.408 5.426 ( -5.531 -0.000 9.176) 10.715 5.449 ( 2.896 -0.000 -5.989) 6.652 5.555 ( 1.790 -0.000 3.139) 3.613 5.682 ( -3.689 -0.000 -1.889) 4.144 5.706 ( -1.795 -0.000 -5.901) 6.168 6.034 ( -1.918 -0.000 10.841) 11.009 6.569 ( 2.917 -0.000 -5.619) 6.331 6.893 ( -1.073 -0.000 5.212) 5.321 7.337 ( 0.139 -0.000 -9.742) 9.743 7.808 ( 5.907 -0.000 -7.349) 9.428 7.941 ( 4.824 -0.000 -8.703) 9.950 8.334 ( 0.864 -0.000 6.007) 6.069 8.476 ( 0.385 -0.000 -2.498) 2.528 8.643 ( -12.103 -0.000 13.646) 18.240 9.311 ( 17.291 -0.000 -16.605) 23.973 9.880 ( 7.721 -0.000 7.413) 10.704 10.211 ( -17.152 -0.000 -5.931) 18.148 12.069 ( 1.618 -0.000 10.126) 10.254 12.547 ( 2.456 -0.000 -10.068) 10.363 12.631 ( -3.472 -0.000 4.564) 5.735 12.845 ( -0.481 -0.000 -4.177) 4.205 12.913 ( 10.448 -0.000 4.074) 11.215 13.080 ( -7.676 -0.000 -2.730) 8.147 13.534 ( 2.570 0.000 10.132) 10.453 13.599 ( 6.792 -0.000 -0.043) 6.792 13.727 ( -7.260 -0.000 -2.714) 7.751 14.020 ( -5.320 -0.000 -11.292) 12.483 14.889 ( 2.456 -0.000 8.900) 9.232 15.273 ( 2.335 -0.000 -6.674) 7.071 15.674 ( 8.770 -0.000 5.922) 10.582 15.938 ( -8.729 -0.000 -4.168) 9.673 16.277 ( 0.683 -0.000 2.520) 2.611 16.295 ( -3.535 0.000 -1.284) 3.761 18.543 ( -7.153 -0.000 2.428) 7.554 18.719 ( 7.756 -0.000 -4.957) 9.205 24.039 ( -2.230 -0.000 6.920) 7.270 24.136 ( -3.289 -0.000 3.273) 4.640 25.794 ( 3.329 -0.000 -1.853) 3.810 25.879 ( -3.597 -0.000 -5.201) 6.323 26.586 ( 3.578 -0.000 0.628) 3.633 26.656 ( -1.433 -0.000 -1.848) 2.338 26.837 ( 12.907 -0.000 18.973) 22.947 27.599 ( -12.354 -0.000 -14.561) 19.096 28.175 ( -8.627 -0.000 3.354) 9.256 28.256 ( 9.277 -0.000 -0.236) 9.280 28.746 ( 0.069 -0.000 0.413) 0.418 28.772 ( 0.347 -0.000 -0.997) 1.056 29.337 ( -1.004 -0.000 15.504) 15.537 30.173 ( 1.428 -0.000 -20.748) 20.797 ======================= Grid point 171 (85/114) ======================= q-point: (-0.38 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.663 8.116 0.687) 8.569 2.174 ( 3.901 4.376 -3.484) 6.819 2.221 ( -2.304 6.694 6.696) 9.744 2.365 ( -2.711 1.565 -1.864) 3.643 2.433 ( -8.914 -0.370 4.206) 9.863 2.515 ( -3.319 -0.773 0.839) 3.509 2.602 ( 3.013 -1.380 6.720) 7.493 2.807 ( 2.659 1.445 -0.367) 3.049 2.845 ( 10.045 0.806 8.362) 13.095 3.001 ( 15.811 -1.303 -1.564) 15.942 3.077 ( 3.112 -6.438 8.107) 10.810 3.343 ( 1.523 0.477 -2.641) 3.086 3.496 ( -7.454 3.709 -0.479) 8.340 3.627 ( -9.023 -1.646 -3.258) 9.733 3.876 ( 3.433 3.138 -0.922) 4.742 3.937 ( 2.783 -2.913 0.286) 4.039 4.058 ( -2.433 6.874 20.296) 21.566 4.292 ( -6.710 -3.956 3.472) 8.528 4.502 ( 3.930 -1.514 3.466) 5.455 4.689 ( 6.137 1.585 -3.868) 7.425 4.792 ( 4.083 -0.537 0.884) 4.212 4.906 ( 4.352 -3.121 -5.570) 7.726 5.154 ( -1.143 0.264 3.651) 3.835 5.439 ( -1.411 1.021 10.615) 10.757 5.445 ( 2.515 1.459 -8.106) 8.612 5.571 ( -0.000 2.429 1.937) 3.107 5.595 ( -6.188 -1.710 0.015) 6.420 5.753 ( 2.459 -9.941 -2.469) 10.534 6.077 ( 0.875 0.370 8.069) 8.125 6.557 ( 0.392 0.530 -5.876) 5.913 6.875 ( -2.807 2.398 4.883) 6.122 7.247 ( -2.147 3.550 -8.760) 9.693 7.864 ( 6.639 -0.139 -8.745) 10.981 7.975 ( 4.087 -4.461 -11.415) 12.919 8.306 ( -8.010 0.511 4.688) 9.295 8.396 ( -7.822 1.773 -2.676) 8.455 8.586 ( -5.959 -1.074 10.790) 12.373 9.449 ( 13.955 2.000 -14.505) 20.227 9.939 ( -12.366 0.129 -3.004) 12.726 10.094 ( 7.953 -5.267 8.844) 13.008 12.151 ( 2.084 0.550 9.709) 9.945 12.495 ( 1.004 1.588 -11.839) 11.988 12.622 ( -2.839 -1.565 2.414) 4.042 12.770 ( -8.320 -1.548 -1.907) 8.675 13.038 ( 3.853 -1.469 -3.715) 5.551 13.095 ( 10.622 1.184 4.806) 11.718 13.584 ( -1.965 0.556 5.959) 6.299 13.650 ( 1.392 2.291 0.627) 2.753 13.736 ( 4.036 -4.336 3.749) 7.011 13.881 ( -3.918 -0.888 -11.252) 11.948 14.964 ( 1.347 0.203 7.865) 7.982 15.227 ( -1.340 1.979 -8.770) 9.089 15.791 ( -6.107 -0.018 -6.808) 9.146 15.852 ( 9.453 0.073 7.529) 12.085 16.224 ( -4.336 1.303 0.372) 4.543 16.302 ( 0.613 0.225 2.856) 2.930 18.457 ( -5.364 0.386 1.108) 5.491 18.791 ( 5.310 0.217 -3.220) 6.213 24.082 ( 2.892 0.638 8.037) 8.565 24.139 ( 1.059 0.356 3.373) 3.553 25.801 ( -3.094 -0.109 -4.905) 5.800 25.832 ( 2.318 -0.413 -0.414) 2.391 26.620 ( -1.303 -0.459 -1.995) 2.427 26.632 ( 1.376 -0.736 0.102) 1.564 27.180 ( 15.165 -1.756 19.341) 24.641 27.334 ( -10.967 -1.005 -16.284) 19.658 28.078 ( -6.396 -0.367 1.587) 6.600 28.395 ( 9.609 1.212 0.026) 9.685 28.748 ( -0.191 0.221 0.186) 0.346 28.787 ( 1.369 -2.291 -0.812) 2.790 29.377 ( -4.412 1.975 15.914) 16.632 30.012 ( -5.022 2.269 -20.540) 21.266 ======================= Grid point 172 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 2.339 12.405 1.200) 12.681 2.104 ( -5.491 4.589 1.495) 7.311 2.180 ( 1.493 4.757 2.963) 5.800 2.289 ( -5.892 -1.811 -1.827) 6.429 2.335 ( -3.635 2.041 3.831) 5.662 2.451 ( -0.497 3.518 -2.153) 4.154 2.735 ( -0.154 0.205 1.148) 1.176 2.800 ( 5.159 -1.803 0.972) 5.551 2.985 ( 7.628 1.920 3.317) 8.537 3.137 ( 2.247 0.845 0.344) 2.425 3.224 ( 1.450 0.166 -0.688) 1.613 3.302 ( -7.268 4.060 -4.988) 9.705 3.398 ( -2.117 -1.261 5.988) 6.475 3.631 ( 7.648 -3.287 3.843) 9.169 3.796 ( -6.964 0.671 -3.018) 7.619 4.082 ( 18.397 3.868 6.545) 19.906 4.146 ( 4.181 -0.809 12.881) 13.566 4.306 ( -1.140 -2.367 6.933) 7.414 4.592 ( 2.265 -2.542 3.416) 4.823 4.737 ( 2.122 -2.377 -3.196) 4.513 4.860 ( 4.052 1.442 4.359) 6.124 4.996 ( 4.255 -1.717 -1.953) 4.986 5.146 ( -1.808 0.292 1.198) 2.189 5.378 ( -0.414 2.257 -12.252) 12.465 5.487 ( 4.145 1.781 7.791) 9.003 5.544 ( -4.264 -2.844 5.885) 7.804 5.583 ( 0.283 -0.045 2.962) 2.976 5.908 ( 1.573 -11.370 -1.007) 11.522 6.148 ( 4.357 -0.016 3.821) 5.795 6.507 ( -1.746 -0.298 -7.009) 7.229 6.826 ( -2.724 3.521 5.689) 7.224 7.098 ( -4.569 5.297 -7.080) 9.953 7.898 ( 5.319 -0.509 -11.368) 12.561 8.008 ( 0.746 -4.949 -13.164) 14.083 8.159 ( -11.640 0.624 -0.581) 11.671 8.191 ( -12.157 2.784 -2.524) 12.725 8.610 ( -0.405 -1.632 7.438) 7.625 9.473 ( -0.719 0.942 -6.076) 6.191 9.814 ( 0.252 0.732 -5.437) 5.492 10.358 ( 9.655 -5.852 11.520) 16.130 12.228 ( 2.796 0.441 6.404) 7.001 12.418 ( -1.409 -0.796 -12.364) 12.470 12.601 ( -1.408 0.850 0.655) 1.771 12.647 ( -7.882 -0.454 -0.972) 7.954 13.146 ( 7.380 -3.007 -0.103) 7.969 13.243 ( 7.412 0.524 3.382) 8.164 13.591 ( 1.632 -0.603 -0.278) 1.762 13.640 ( -1.907 3.792 1.508) 4.504 13.778 ( 1.272 -1.342 0.612) 1.947 13.894 ( 2.175 -3.300 -0.158) 3.955 15.013 ( -0.098 0.213 5.265) 5.270 15.092 ( -4.690 3.321 -8.360) 10.145 15.697 ( -1.584 -1.493 -8.095) 8.382 16.023 ( 6.961 0.174 7.894) 10.526 16.147 ( -3.925 1.941 2.083) 4.849 16.321 ( 0.340 0.443 2.453) 2.516 18.393 ( -2.440 0.939 -0.302) 2.632 18.834 ( 2.346 0.133 -0.984) 2.548 24.179 ( 2.994 0.790 4.363) 5.351 24.205 ( 6.661 0.863 9.277) 11.454 25.738 ( -1.755 -0.135 -4.685) 5.004 25.865 ( 1.501 -0.216 0.751) 1.692 26.594 ( -1.704 -1.953 -3.038) 3.994 26.663 ( 1.050 -0.436 0.892) 1.445 27.056 ( -11.169 0.298 -17.557) 20.810 27.576 ( 14.383 -4.749 18.127) 23.622 28.020 ( -2.925 -1.322 -0.277) 3.222 28.487 ( 6.084 3.610 -0.009) 7.074 28.740 ( -0.591 0.060 0.177) 0.620 28.876 ( 5.514 -5.542 -1.093) 7.894 29.344 ( -7.021 3.639 14.364) 16.397 29.755 ( -8.528 4.421 -17.797) 20.224 ======================= Grid point 173 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.219 9.322 3.154) 10.707 1.972 ( -9.387 -0.489 1.580) 9.531 2.134 ( -9.964 -3.034 5.730) 11.888 2.243 ( 1.114 2.268 3.849) 4.604 2.317 ( 3.365 4.302 -1.148) 5.581 2.423 ( 4.803 4.709 -2.181) 7.072 2.657 ( -4.614 0.810 -4.466) 6.472 2.880 ( -1.290 -1.377 3.589) 4.055 3.044 ( -4.975 -0.424 0.425) 5.011 3.092 ( 2.520 4.709 -8.790) 10.286 3.122 ( -1.946 1.578 -6.576) 7.037 3.323 ( 8.534 0.476 6.783) 10.912 3.380 ( -3.813 -1.848 -0.090) 4.239 3.680 ( -4.386 -0.400 -0.830) 4.482 3.783 ( 2.740 -0.308 9.338) 9.737 4.282 ( 3.604 -2.122 8.181) 9.188 4.330 ( -1.895 -3.002 14.166) 14.604 4.422 ( 13.423 6.874 5.102) 15.921 4.700 ( 6.024 -3.054 -1.630) 6.948 4.760 ( 0.477 -3.571 2.559) 4.419 4.921 ( 3.146 4.789 8.428) 10.191 5.008 ( -4.121 0.344 -0.781) 4.208 5.116 ( 3.175 -0.525 -5.130) 6.056 5.263 ( -6.854 -1.481 -5.440) 8.875 5.539 ( -1.266 2.857 6.578) 7.283 5.604 ( 1.084 -3.136 4.292) 5.425 5.676 ( 12.112 0.954 2.890) 12.488 6.050 ( -0.373 -12.249 0.016) 12.255 6.228 ( 4.695 1.315 -0.202) 4.879 6.437 ( -3.506 -1.823 -7.129) 8.151 6.792 ( -1.411 1.144 4.343) 4.708 6.914 ( -6.300 6.348 -4.367) 9.953 7.862 ( -13.130 0.939 -5.502) 14.267 7.894 ( -0.103 -0.616 -7.411) 7.437 8.029 ( -2.503 -0.099 -6.489) 6.956 8.040 ( 1.081 -1.039 -15.172) 15.246 8.685 ( 3.477 -1.403 3.421) 5.075 9.381 ( -10.290 -3.126 1.830) 10.909 9.815 ( 7.436 5.447 -5.974) 10.984 10.621 ( 7.776 -4.676 11.404) 14.573 12.257 ( -3.185 -0.640 -7.734) 8.388 12.357 ( -0.391 -1.701 2.434) 2.995 12.538 ( -2.623 1.572 -3.978) 5.017 12.604 ( 3.693 1.292 -1.998) 4.393 13.262 ( 1.168 0.852 8.308) 8.433 13.384 ( 8.847 -4.478 -0.655) 9.937 13.553 ( -2.450 3.184 -0.904) 4.118 13.613 ( 1.292 1.820 -0.067) 2.233 13.865 ( 3.461 -0.226 -4.949) 6.043 13.915 ( -0.477 -0.928 8.071) 8.139 14.892 ( -7.681 1.722 -7.392) 10.798 15.074 ( 1.293 -0.881 3.167) 3.533 15.670 ( 0.228 -1.356 -7.549) 7.673 16.063 ( -2.268 1.721 4.170) 5.049 16.175 ( 3.941 -0.731 5.939) 7.166 16.330 ( 0.031 0.344 1.555) 1.593 18.362 ( 0.589 1.114 -1.436) 1.911 18.847 ( -0.529 -0.020 1.130) 1.248 24.223 ( 0.379 0.150 4.190) 4.210 24.371 ( 8.256 1.851 12.188) 14.836 25.702 ( 0.520 0.029 -4.400) 4.431 25.886 ( 0.872 0.641 0.967) 1.452 26.581 ( -1.404 -2.900 -3.534) 4.782 26.679 ( 0.011 0.157 -0.341) 0.375 26.788 ( -10.495 0.415 -15.772) 18.949 27.869 ( 3.654 -2.184 14.528) 15.139 28.046 ( 5.193 -3.609 -1.293) 6.455 28.497 ( 1.649 3.501 -0.284) 3.880 28.735 ( -0.303 -0.283 0.228) 0.473 29.035 ( 4.818 -3.555 0.737) 6.033 29.283 ( -2.593 1.131 7.889) 8.381 29.490 ( -7.127 4.458 -11.812) 14.498 ======================= Grid point 179 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -3.328 -0.000 1.763) 3.766 2.193 ( -6.650 -0.000 2.862) 7.240 2.200 ( -11.348 -0.000 2.269) 11.573 2.291 ( 2.869 0.000 -4.118) 5.018 2.372 ( -2.037 -0.000 3.151) 3.753 2.481 ( 1.891 0.000 -1.703) 2.545 2.736 ( 2.357 0.000 4.296) 4.901 2.778 ( 3.407 0.000 -1.764) 3.837 3.051 ( 5.426 0.000 3.791) 6.619 3.102 ( 4.065 0.000 4.798) 6.288 3.196 ( 5.196 0.000 -4.650) 6.972 3.350 ( -7.301 -0.000 -3.235) 7.986 3.408 ( -8.050 -0.000 3.359) 8.723 3.570 ( 11.895 0.000 6.294) 13.458 3.802 ( -8.778 -0.000 -2.378) 9.094 4.072 ( 13.400 0.000 -0.452) 13.407 4.214 ( -2.095 -0.000 3.100) 3.741 4.261 ( 7.936 0.000 21.491) 22.909 4.563 ( 3.025 0.000 2.896) 4.188 4.705 ( 0.825 0.000 -5.352) 5.415 4.907 ( 7.675 0.000 3.512) 8.440 4.956 ( 6.322 0.000 -1.656) 6.535 5.152 ( -2.625 -0.000 4.330) 5.064 5.385 ( -6.261 -0.000 -11.693) 13.263 5.486 ( -1.626 -0.000 10.952) 11.072 5.552 ( 3.151 0.000 0.656) 3.219 5.643 ( 0.967 0.000 1.236) 1.570 5.693 ( 5.034 0.000 -1.096) 5.152 6.152 ( 4.596 0.000 3.416) 5.726 6.507 ( -2.747 -0.000 -6.061) 6.655 6.883 ( -2.958 -0.000 7.789) 8.332 7.161 ( -5.687 -0.000 -7.513) 9.423 7.908 ( 5.168 0.000 -10.223) 11.455 7.926 ( 3.239 0.000 -12.851) 13.253 8.166 ( -12.140 -0.000 1.211) 12.200 8.224 ( -13.705 -0.000 -3.559) 14.159 8.589 ( -0.112 -0.000 7.542) 7.543 9.474 ( -7.228 -0.000 -4.763) 8.656 9.843 ( 9.313 0.000 -12.055) 15.233 10.276 ( 9.120 0.000 15.481) 17.968 12.239 ( 2.127 0.000 8.603) 8.862 12.398 ( -4.936 -0.000 -12.979) 13.886 12.606 ( 0.171 0.000 1.287) 1.298 12.646 ( -4.894 -0.000 -3.573) 6.059 13.102 ( 8.688 0.000 -3.672) 9.432 13.260 ( 5.515 0.000 4.976) 7.428 13.583 ( 2.969 0.000 0.077) 2.970 13.698 ( -4.480 -0.000 -2.874) 5.323 13.770 ( 2.205 0.000 9.228) 9.487 13.833 ( 5.806 0.000 -2.466) 6.308 15.017 ( 0.368 0.000 6.017) 6.028 15.143 ( -4.177 -0.000 -11.171) 11.926 15.673 ( -3.473 -0.000 -8.000) 8.721 16.026 ( 6.986 0.000 8.701) 11.158 16.171 ( -4.464 -0.000 1.669) 4.766 16.326 ( -0.002 -0.000 2.867) 2.867 18.406 ( -2.056 -0.000 -0.309) 2.079 18.835 ( 2.136 0.000 -1.075) 2.391 24.188 ( 2.004 0.000 3.824) 4.317 24.217 ( 7.679 0.000 10.013) 12.619 25.736 ( -1.580 -0.000 -4.922) 5.169 25.863 ( 1.906 0.000 1.223) 2.265 26.570 ( -1.887 -0.000 -3.603) 4.067 26.657 ( 1.400 0.000 0.857) 1.641 27.063 ( -10.338 -0.000 -18.546) 21.233 27.518 ( 15.315 0.000 19.139) 24.512 28.002 ( -3.819 -0.000 -0.223) 3.826 28.550 ( 9.247 0.000 0.024) 9.247 28.762 ( 1.463 0.000 -0.204) 1.477 28.769 ( 0.102 0.000 -0.757) 0.764 29.386 ( -7.978 -0.000 15.418) 17.360 29.805 ( -9.065 -0.000 -18.454) 20.560 ======================= Grid point 180 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -16.572 0.054 4.984) 17.306 1.994 ( -18.125 -1.951 5.664) 19.090 2.170 ( 3.415 5.821 -0.463) 6.765 2.323 ( 3.877 3.382 -1.690) 5.415 2.378 ( 1.607 0.025 1.773) 2.393 2.510 ( 3.995 1.384 -2.947) 5.153 2.683 ( -3.923 0.858 -3.389) 5.254 2.843 ( -3.044 -0.890 4.633) 5.615 3.050 ( -4.311 1.592 0.359) 4.610 3.162 ( -5.660 1.552 -11.183) 12.630 3.199 ( 4.233 3.346 -1.958) 5.740 3.267 ( 6.223 -4.468 1.639) 7.834 3.340 ( -4.523 -0.955 4.077) 6.164 3.665 ( -7.403 -0.423 -0.630) 7.441 3.770 ( 4.472 -0.662 10.976) 11.871 4.229 ( 1.652 -1.431 4.208) 4.742 4.257 ( 3.292 -2.475 10.272) 11.067 4.568 ( 15.071 4.282 2.735) 15.905 4.644 ( 9.008 -1.568 9.664) 13.304 4.691 ( -0.390 -1.380 -2.107) 2.549 4.995 ( 1.302 1.307 1.263) 2.235 5.047 ( 3.316 2.468 6.778) 7.939 5.112 ( -0.693 -0.026 -3.376) 3.446 5.194 ( -12.298 -3.185 -5.041) 13.667 5.533 ( -0.387 -0.925 9.016) 9.071 5.595 ( 0.074 1.787 1.739) 2.494 5.689 ( 7.233 -3.750 -0.917) 8.199 5.841 ( 9.688 -2.603 -2.095) 10.249 6.254 ( 8.425 0.660 -1.274) 8.547 6.410 ( -5.774 -0.400 -5.566) 8.030 6.869 ( -3.014 3.748 8.477) 9.746 7.011 ( -7.579 1.274 -4.699) 9.008 7.866 ( -8.474 0.131 -2.398) 8.807 7.891 ( 0.682 -0.283 -12.380) 12.402 8.001 ( -7.775 -0.199 -5.454) 9.500 8.040 ( 0.407 -0.448 -11.981) 11.996 8.660 ( 4.382 -0.621 3.640) 5.730 9.295 ( -14.692 -2.766 1.444) 15.019 9.960 ( 15.898 4.836 -11.445) 20.177 10.514 ( 7.374 -3.445 15.747) 17.726 12.237 ( -6.537 -0.695 -9.634) 11.663 12.321 ( 1.721 -1.021 5.359) 5.721 12.567 ( -2.033 0.673 -5.736) 6.122 12.630 ( 3.479 0.667 -1.377) 3.801 13.240 ( 9.777 -1.757 -2.112) 10.155 13.325 ( 1.636 -0.366 3.647) 4.014 13.605 ( -2.212 1.569 -3.727) 4.609 13.654 ( 3.051 0.140 0.455) 3.088 13.856 ( 4.268 -0.194 8.010) 9.078 13.933 ( 4.861 1.547 4.080) 6.532 14.967 ( -7.330 3.335 -10.701) 13.393 15.054 ( 0.001 -0.838 2.902) 3.020 15.611 ( -0.187 -2.442 -8.527) 8.872 16.109 ( -3.619 1.664 3.991) 5.639 16.157 ( 2.705 -0.818 7.531) 8.044 16.333 ( -0.808 0.023 2.026) 2.182 18.392 ( 1.480 0.975 -1.664) 2.431 18.844 ( -0.980 -0.142 1.155) 1.521 24.227 ( -0.308 0.133 4.466) 4.478 24.413 ( 10.477 1.245 12.138) 16.083 25.702 ( 0.951 -0.025 -4.958) 5.048 25.899 ( 1.714 0.385 2.090) 2.730 26.532 ( -1.114 -1.134 -3.934) 4.243 26.680 ( 0.967 -0.032 0.563) 1.119 26.803 ( -9.992 0.612 -18.234) 20.801 27.833 ( 10.271 -0.983 17.661) 20.454 27.976 ( 1.049 -1.832 -2.507) 3.277 28.621 ( 4.178 5.697 -0.016) 7.065 28.739 ( -0.397 1.261 -0.059) 1.323 28.876 ( 6.189 -8.131 -1.589) 10.341 29.323 ( -10.234 1.239 13.082) 16.655 29.553 ( -10.019 1.202 -14.923) 18.015 ======================= Grid point 181 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -17.581 -3.704 6.216) 19.011 1.822 ( -16.732 -7.603 8.403) 20.208 2.156 ( 5.916 7.359 0.465) 9.454 2.330 ( 1.461 1.949 3.630) 4.371 2.420 ( 3.563 0.741 -0.950) 3.761 2.495 ( -0.669 3.828 -4.540) 5.977 2.594 ( -1.089 2.117 -3.917) 4.584 2.778 ( -10.860 -2.389 5.598) 12.449 2.931 ( -5.890 1.917 -4.057) 7.404 3.044 ( -2.505 -1.936 -7.934) 8.542 3.185 ( 3.527 4.584 -3.382) 6.700 3.301 ( -2.220 -0.976 -0.929) 2.597 3.442 ( 3.299 -5.211 2.921) 6.824 3.609 ( -0.883 -0.479 1.787) 2.050 3.873 ( 1.479 0.001 9.957) 10.066 4.317 ( -8.271 -1.465 15.771) 17.869 4.326 ( -0.416 -2.509 9.169) 9.515 4.561 ( -0.472 4.010 -3.621) 5.424 4.697 ( 0.555 0.198 0.687) 0.905 4.869 ( -0.469 1.231 3.752) 3.976 4.905 ( -5.496 1.016 -0.671) 5.629 4.993 ( -3.685 -2.309 1.600) 4.633 5.041 ( -8.179 -3.292 -0.424) 8.827 5.286 ( 14.727 1.167 0.653) 14.788 5.567 ( -0.099 2.162 4.537) 5.027 5.608 ( 0.366 -1.460 4.753) 4.986 5.840 ( -0.305 -9.586 2.342) 9.873 5.983 ( 10.269 3.329 -1.211) 10.863 6.247 ( -7.028 1.019 -3.114) 7.755 6.401 ( 9.057 -0.202 -5.784) 10.748 6.772 ( -6.352 2.866 -0.367) 6.979 6.904 ( -3.004 3.752 4.250) 6.416 7.702 ( -4.984 1.070 -3.088) 5.960 7.839 ( -1.023 -1.834 -2.044) 2.931 7.958 ( 2.537 -1.633 -11.255) 11.652 8.038 ( 10.839 0.905 -18.235) 21.233 8.762 ( 6.910 -0.321 -0.185) 6.920 9.150 ( -13.960 -5.700 5.058) 15.904 10.033 ( 12.466 9.383 -7.586) 17.349 10.724 ( 2.994 -4.193 12.143) 13.191 12.098 ( -7.297 -0.898 -5.541) 9.207 12.399 ( 3.825 -0.955 2.193) 4.511 12.510 ( 0.344 0.612 -5.293) 5.340 12.680 ( 7.131 0.500 -5.198) 8.838 13.320 ( 0.527 1.502 4.459) 4.734 13.450 ( 8.202 -4.936 -1.569) 9.701 13.550 ( 0.471 1.345 -2.541) 2.913 13.654 ( -3.540 0.992 3.774) 5.269 13.912 ( -0.363 12.376 2.053) 12.551 13.997 ( 5.725 -2.064 5.654) 8.306 14.761 ( -6.834 1.926 -7.434) 10.280 15.087 ( 0.858 -1.754 1.486) 2.454 15.612 ( 1.316 -2.651 -7.510) 8.072 16.065 ( -2.728 0.644 4.230) 5.074 16.230 ( 0.329 -1.083 5.624) 5.737 16.328 ( -1.324 -0.420 1.082) 1.761 18.402 ( 3.721 2.058 -2.611) 4.990 18.826 ( -3.443 -0.491 2.820) 4.478 24.221 ( -4.244 -0.134 5.133) 6.661 24.602 ( 8.225 4.478 12.160) 15.348 25.710 ( 3.759 0.123 -4.722) 6.037 25.918 ( 0.827 1.348 0.935) 1.837 26.493 ( -4.828 -0.870 -10.682) 11.755 26.570 ( -4.669 0.061 -6.606) 8.090 26.703 ( 0.536 -0.305 0.286) 0.679 27.956 ( 1.325 0.602 5.760) 5.941 28.105 ( 6.522 -2.658 4.739) 8.489 28.564 ( -0.721 6.984 -0.179) 7.023 28.733 ( 0.158 -0.139 0.339) 0.399 29.042 ( 0.898 -3.382 0.209) 3.506 29.253 ( -5.662 -3.227 5.042) 8.240 29.363 ( -1.990 -2.871 -9.221) 9.861 ======================= Grid point 188 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -20.066 -0.000 7.779) 21.521 1.725 ( -21.619 -0.000 9.921) 23.787 2.266 ( 4.253 0.000 -1.250) 4.433 2.370 ( -1.997 -0.000 5.670) 6.012 2.400 ( 3.657 0.000 -5.608) 6.695 2.537 ( 0.894 0.000 -2.372) 2.534 2.612 ( -3.197 -0.000 -5.180) 6.087 2.765 ( -10.572 -0.000 7.612) 13.028 2.964 ( -3.236 -0.000 -5.692) 6.547 3.030 ( -6.765 -0.000 -6.109) 9.115 3.276 ( -1.839 -0.000 -0.189) 1.848 3.281 ( 5.150 0.000 -5.258) 7.360 3.329 ( -1.370 -0.000 4.640) 4.838 3.608 ( 1.218 0.000 1.069) 1.620 3.870 ( 1.613 0.000 10.668) 10.789 4.276 ( 3.624 0.000 5.357) 6.468 4.304 ( -8.880 -0.000 17.306) 19.451 4.640 ( 0.748 0.000 -1.233) 1.442 4.670 ( -0.669 -0.000 -2.783) 2.862 4.894 ( -16.731 -0.000 0.106) 16.732 4.906 ( 9.336 0.000 5.435) 10.803 4.974 ( -4.792 -0.000 -3.032) 5.670 4.992 ( -8.079 -0.000 0.214) 8.082 5.296 ( 13.769 0.000 -0.560) 13.781 5.594 ( 2.464 0.000 8.639) 8.984 5.646 ( -2.568 -0.000 6.381) 6.878 5.654 ( 2.693 0.000 3.246) 4.218 6.032 ( 13.754 0.000 -6.754) 15.323 6.261 ( -10.091 -0.000 -2.691) 10.443 6.399 ( 12.642 0.000 -6.232) 14.095 6.852 ( -9.703 -0.000 -3.456) 10.300 6.919 ( -2.792 -0.000 10.993) 11.342 7.760 ( -4.991 -0.000 -6.805) 8.439 7.780 ( -2.532 -0.000 0.078) 2.533 7.934 ( 2.709 0.000 -8.291) 8.722 8.048 ( 11.671 0.000 -19.040) 22.332 8.758 ( 7.833 0.000 -0.301) 7.838 9.072 ( -14.509 -0.000 4.403) 15.162 10.168 ( 15.170 0.000 -10.578) 18.494 10.655 ( 1.887 0.000 15.175) 15.292 12.084 ( -5.949 -0.000 -5.768) 8.287 12.387 ( 4.340 0.000 2.569) 5.043 12.516 ( -0.403 -0.000 -6.230) 6.243 12.688 ( 5.757 0.000 -4.135) 7.088 13.354 ( 1.063 0.000 2.537) 2.751 13.367 ( 10.178 0.000 -3.705) 10.832 13.577 ( -0.060 -0.000 -2.637) 2.638 13.653 ( -4.422 -0.000 2.646) 5.154 13.967 ( 5.495 0.000 6.157) 8.253 14.100 ( 8.107 0.000 8.025) 11.408 14.801 ( -7.889 -0.000 -11.944) 14.314 15.063 ( -0.054 -0.000 2.211) 2.211 15.554 ( 1.554 0.000 -8.306) 8.450 16.079 ( -4.319 -0.000 4.620) 6.325 16.215 ( -0.293 -0.000 6.652) 6.659 16.322 ( -1.866 -0.000 1.083) 2.157 18.434 ( 4.752 0.000 -2.933) 5.584 18.817 ( -4.087 -0.000 3.193) 5.186 24.220 ( -4.517 -0.000 5.236) 6.915 24.665 ( 11.977 0.000 12.093) 17.020 25.709 ( 3.895 0.000 -5.133) 6.444 25.940 ( 1.394 0.000 1.864) 2.327 26.482 ( -2.705 -0.000 -8.563) 8.980 26.575 ( -6.754 -0.000 -10.419) 12.416 26.697 ( 0.847 0.000 0.291) 0.895 27.954 ( 1.393 0.000 1.380) 1.960 28.079 ( 8.686 0.000 10.732) 13.807 28.706 ( 1.651 0.000 0.480) 1.719 28.756 ( -0.390 -0.000 -1.120) 1.187 28.884 ( 6.311 0.000 -2.650) 6.845 29.228 ( -12.202 -0.000 10.905) 16.364 29.335 ( -8.903 -0.000 -11.752) 14.744 ======================= Grid point 189 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -20.336 -2.796 11.926) 23.741 1.512 ( -20.422 -7.630 13.232) 25.502 2.286 ( 2.277 2.281 -1.331) 3.487 2.344 ( -4.341 1.283 -1.769) 4.860 2.373 ( -5.184 -1.540 -1.828) 5.708 2.522 ( 2.669 2.499 -1.881) 4.112 2.580 ( -2.446 -2.076 3.366) 4.650 2.637 ( -9.643 1.088 7.328) 12.160 2.902 ( -5.085 2.131 -0.063) 5.514 2.917 ( 1.481 -1.206 -11.716) 11.870 3.238 ( -0.623 2.413 -3.056) 3.943 3.279 ( -2.083 -1.254 3.521) 4.279 3.352 ( -1.403 -4.405 -1.700) 4.926 3.681 ( 6.966 0.391 -1.084) 7.061 3.941 ( -1.594 0.178 12.268) 12.373 4.107 ( -29.427 0.040 14.927) 32.997 4.391 ( 4.001 -0.312 7.652) 8.641 4.506 ( -11.949 1.794 -3.309) 12.528 4.683 ( -1.584 -6.419 -3.541) 7.500 4.749 ( -5.197 1.513 9.196) 10.671 4.846 ( -3.145 3.001 -3.218) 5.409 4.942 ( -1.084 -3.618 -6.294) 7.340 5.009 ( 2.771 0.434 3.437) 4.436 5.413 ( 5.496 -1.452 -5.097) 7.635 5.613 ( -4.753 1.396 7.875) 9.303 5.692 ( 4.056 3.170 6.760) 8.497 5.789 ( 4.503 -4.109 8.300) 10.298 6.098 ( -7.541 -0.988 -3.140) 8.228 6.127 ( 2.131 2.637 -0.731) 3.469 6.516 ( 7.384 1.343 -9.228) 11.895 6.689 ( -6.365 1.949 -0.884) 6.715 6.923 ( -3.397 0.455 6.808) 7.622 7.718 ( 6.398 1.785 -1.958) 6.925 7.822 ( 4.270 -3.524 -2.150) 5.939 7.941 ( 4.115 -0.110 -8.898) 9.804 8.170 ( 19.469 0.940 -18.023) 26.547 8.870 ( 6.280 0.959 -1.975) 6.653 8.937 ( -8.433 -4.435 5.020) 10.770 10.262 ( 9.952 7.058 -6.918) 14.025 10.728 ( -4.908 -3.473 8.924) 10.760 11.998 ( -3.519 0.211 -0.274) 3.536 12.466 ( 4.943 0.968 -1.058) 5.147 12.507 ( 3.459 -1.048 -3.803) 5.247 12.758 ( 8.242 -0.589 -6.825) 10.717 13.363 ( 0.263 1.516 -1.401) 2.080 13.495 ( 5.730 -2.771 -2.797) 6.952 13.559 ( -2.537 1.614 1.377) 3.307 13.598 ( -2.686 -1.359 3.034) 4.274 14.069 ( 3.559 -0.500 2.048) 4.136 14.121 ( -0.449 15.354 0.486) 15.368 14.681 ( -0.347 0.239 0.397) 0.579 15.085 ( 0.971 -1.493 0.902) 1.996 15.569 ( 3.323 -3.214 -6.848) 8.262 16.045 ( -3.696 -0.283 5.224) 6.406 16.226 ( -2.409 -0.905 2.976) 3.934 16.294 ( -2.751 -0.704 -0.223) 2.849 18.482 ( 5.752 2.304 -3.743) 7.239 18.766 ( -6.152 -0.946 4.338) 7.587 24.159 ( -7.772 -0.173 5.701) 9.641 24.828 ( 4.806 6.585 3.226) 8.767 25.755 ( 5.786 -0.120 -5.023) 7.663 25.936 ( -0.816 1.297 -2.039) 2.551 26.344 ( -3.771 -0.099 -2.569) 4.564 26.548 ( 1.769 -0.295 0.425) 1.843 26.709 ( 0.578 -0.233 -0.094) 0.630 28.002 ( 3.825 -1.138 -0.412) 4.012 28.214 ( 2.320 2.058 8.783) 9.315 28.641 ( -2.047 10.459 -0.310) 10.662 28.741 ( 0.833 -0.063 0.402) 0.927 28.980 ( -2.050 -3.960 -3.645) 5.759 29.114 ( -10.639 -2.094 5.097) 11.982 29.251 ( 3.339 -11.777 -7.722) 14.473 ======================= Grid point 197 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -22.790 -0.000 17.335) 28.634 1.270 ( -18.203 -0.000 18.927) 26.260 2.227 ( -19.315 -0.000 20.463) 28.139 2.232 ( -6.598 -0.000 -7.609) 10.071 2.247 ( -1.896 -0.000 -16.140) 16.251 2.510 ( -6.236 -0.000 10.793) 12.465 2.564 ( 1.870 0.000 -1.833) 2.618 2.714 ( 9.112 0.000 4.490) 10.158 2.756 ( -7.529 -0.000 -2.633) 7.976 2.966 ( 5.484 0.000 -6.623) 8.599 3.131 ( -8.783 -0.000 0.661) 8.808 3.289 ( -0.046 -0.000 4.045) 4.045 3.348 ( 4.317 0.000 -8.450) 9.489 3.660 ( -37.559 -0.000 17.954) 41.630 3.777 ( 6.918 0.000 -2.166) 7.249 3.998 ( 0.473 0.000 2.970) 3.008 4.245 ( -17.608 -0.000 -2.398) 17.771 4.494 ( -0.734 -0.000 9.363) 9.391 4.575 ( -5.457 -0.000 -5.206) 7.542 4.785 ( -2.746 -0.000 13.349) 13.628 4.878 ( 9.251 0.000 2.152) 9.499 4.878 ( 3.817 0.000 -9.495) 10.234 5.084 ( 3.991 0.000 2.688) 4.812 5.456 ( 6.137 0.000 -4.264) 7.473 5.578 ( -5.965 -0.000 7.457) 9.549 5.769 ( -1.476 -0.000 4.395) 4.636 5.926 ( 7.349 0.000 10.102) 12.493 5.966 ( -7.500 -0.000 2.429) 7.883 6.158 ( 1.659 0.000 -2.889) 3.332 6.455 ( -10.272 -0.000 -0.578) 10.288 6.685 ( 5.357 0.000 -8.597) 10.129 6.875 ( -6.579 -0.000 3.560) 7.481 7.857 ( 5.609 0.000 -0.097) 5.610 7.873 ( 10.794 0.000 -1.136) 10.853 7.968 ( 6.594 0.000 -7.384) 9.899 8.392 ( 21.443 0.000 -17.903) 27.934 8.793 ( -9.160 -0.000 9.074) 12.894 9.014 ( 11.961 0.000 -7.320) 14.023 10.389 ( 5.932 0.000 -5.554) 8.127 10.611 ( -12.587 -0.000 5.076) 13.572 11.978 ( -1.296 -0.000 4.173) 4.370 12.545 ( 6.085 0.000 -1.341) 6.231 12.549 ( 4.758 0.000 -4.515) 6.559 12.855 ( 11.491 0.000 -6.610) 13.256 13.290 ( -7.867 -0.000 -5.850) 9.804 13.528 ( 0.970 0.000 -0.525) 1.103 13.559 ( -1.444 -0.000 8.280) 8.405 13.592 ( 2.183 0.000 -5.200) 5.640 14.096 ( 0.036 0.000 -0.586) 0.587 14.137 ( -4.731 -0.000 -12.093) 12.986 14.811 ( 7.872 0.000 13.932) 16.003 15.103 ( 2.223 0.000 0.651) 2.317 15.572 ( 5.019 0.000 -4.949) 7.048 16.017 ( -3.790 -0.000 6.046) 7.136 16.168 ( -6.543 -0.000 -1.372) 6.686 16.231 ( -3.222 -0.000 -2.005) 3.795 18.564 ( 6.096 0.000 -5.104) 7.950 18.678 ( -8.407 -0.000 5.653) 10.131 24.065 ( -8.647 -0.000 5.847) 10.439 24.788 ( -13.452 -0.000 -16.404) 21.214 25.814 ( 5.869 0.000 -4.807) 7.586 25.913 ( 0.539 0.000 -3.245) 3.290 26.476 ( 15.882 0.000 18.240) 24.186 26.592 ( 2.918 0.000 3.063) 4.230 26.713 ( 0.483 0.000 -0.489) 0.687 28.038 ( 1.989 0.000 -2.396) 3.113 28.292 ( -0.538 -0.000 8.686) 8.703 28.728 ( -0.150 -0.000 -1.274) 1.283 28.753 ( 1.686 0.000 0.027) 1.686 28.874 ( -2.903 -0.000 -5.821) 6.505 28.985 ( -9.001 -0.000 5.483) 10.539 29.114 ( -1.639 -0.000 -7.378) 7.558 ======================= Grid point 198 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 6.168 0.000 -21.471) 22.340 1.460 ( -6.168 -0.000 21.471) 22.340 1.599 ( -1.046 -0.000 -13.957) 13.996 1.599 ( 1.046 0.000 13.957) 13.996 2.582 ( 6.230 0.000 -6.793) 9.217 2.582 ( -6.230 -0.000 6.793) 9.217 2.786 ( 3.255 0.000 -8.633) 9.227 2.786 ( -3.255 -0.000 8.633) 9.227 2.928 ( 3.592 0.000 -9.541) 10.195 2.928 ( -3.592 -0.000 9.541) 10.195 3.009 ( 10.040 0.000 -4.473) 10.992 3.009 ( -10.040 -0.000 4.473) 10.992 3.178 ( 13.201 0.000 -5.882) 14.452 3.178 ( -13.201 -0.000 5.882) 14.452 3.969 ( -11.844 -0.000 0.881) 11.877 3.969 ( 11.844 0.000 -0.881) 11.877 4.091 ( 3.899 0.000 -11.342) 11.993 4.091 ( -3.899 -0.000 11.342) 11.993 4.711 ( 1.988 0.000 -8.460) 8.690 4.711 ( -1.988 -0.000 8.460) 8.690 5.111 ( 4.548 0.000 -10.377) 11.330 5.111 ( -4.548 -0.000 10.377) 11.330 5.471 ( -2.412 -0.000 -4.171) 4.818 5.471 ( 2.412 0.000 4.171) 4.818 5.647 ( 1.073 0.000 -4.205) 4.340 5.647 ( -1.073 -0.000 4.205) 4.340 6.159 ( -8.346 -0.000 -4.968) 9.713 6.159 ( 8.346 0.000 4.968) 9.713 6.260 ( 5.324 0.000 -3.145) 6.183 6.260 ( -5.324 -0.000 3.145) 6.183 6.623 ( -5.862 -0.000 -0.813) 5.918 6.623 ( 5.862 0.000 0.813) 5.918 7.963 ( 3.196 0.000 -6.251) 7.020 7.963 ( -3.196 -0.000 6.251) 7.020 8.238 ( -3.388 -0.000 -5.167) 6.179 8.238 ( 3.388 0.000 5.167) 6.179 8.966 ( 7.648 0.000 -12.951) 15.040 8.966 ( -7.648 -0.000 12.951) 15.040 10.387 ( 7.750 0.000 -5.191) 9.328 10.387 ( -7.750 -0.000 5.191) 9.328 12.276 ( -1.657 -0.000 -10.857) 10.982 12.276 ( 1.657 0.000 10.857) 10.982 12.837 ( -10.609 -0.000 -2.572) 10.917 12.837 ( 10.609 0.000 2.572) 10.917 13.149 ( -13.672 -0.000 -0.531) 13.682 13.149 ( 13.672 0.000 0.531) 13.682 13.640 ( -3.795 -0.000 0.227) 3.802 13.640 ( 3.795 0.000 -0.227) 3.802 13.970 ( -1.232 -0.000 -0.786) 1.462 13.970 ( 1.232 0.000 0.786) 1.462 15.164 ( 5.624 0.000 -5.224) 7.675 15.164 ( -5.624 -0.000 5.224) 7.675 15.756 ( -10.639 -0.000 -0.293) 10.643 15.756 ( 10.639 0.000 0.293) 10.643 16.116 ( 1.807 0.000 -4.614) 4.955 16.116 ( -1.807 -0.000 4.614) 4.955 18.597 ( 8.351 0.000 -5.148) 9.810 18.597 ( -8.351 -0.000 5.148) 9.810 24.076 ( -1.583 -0.000 -4.483) 4.755 24.076 ( 1.583 0.000 4.483) 4.755 25.839 ( -1.777 -0.000 0.146) 1.783 25.839 ( 1.777 0.000 -0.146) 1.783 26.696 ( 0.758 0.000 -2.039) 2.175 26.696 ( -0.758 -0.000 2.039) 2.175 27.652 ( -21.392 -0.000 -4.586) 21.878 27.652 ( 21.392 0.000 4.586) 21.878 28.601 ( -7.268 -0.000 -5.192) 8.932 28.601 ( 7.268 0.000 5.192) 8.932 28.723 ( -0.723 -0.000 -0.560) 0.914 28.723 ( 0.723 0.000 0.560) 0.914 28.903 ( 3.528 0.000 -1.806) 3.963 28.903 ( -3.528 -0.000 1.806) 3.963 ======================= Grid point 200 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 13.491 -3.039 -21.060) 25.195 1.578 ( 5.956 -2.600 13.464) 14.950 1.616 ( 6.547 -3.577 -7.730) 10.743 1.822 ( 10.041 -5.706 15.389) 19.241 2.527 ( -4.791 1.308 4.285) 6.559 2.646 ( 8.096 -0.966 -9.665) 12.645 2.720 ( -3.736 -1.303 -1.640) 4.283 2.737 ( 1.738 -0.917 -14.743) 14.874 2.861 ( -3.704 6.182 1.470) 7.355 2.970 ( -5.239 -2.523 -1.828) 6.096 3.031 ( -0.069 -2.840 18.485) 18.702 3.039 ( 1.996 -3.117 -0.998) 3.833 3.280 ( 14.439 -1.158 3.870) 14.994 3.439 ( 24.237 -0.504 -4.962) 24.745 3.784 ( -13.652 -0.102 1.992) 13.797 4.064 ( 2.117 0.626 -0.151) 2.213 4.116 ( 6.890 -0.561 -6.005) 9.157 4.196 ( 6.108 -3.066 12.285) 14.058 4.690 ( 0.739 -0.420 -6.903) 6.955 4.744 ( -1.423 -3.571 5.200) 6.467 5.084 ( -3.122 2.274 5.192) 6.471 5.093 ( 2.090 2.509 -8.017) 8.657 5.282 ( -14.248 2.073 -4.534) 15.095 5.405 ( -7.934 4.841 5.256) 10.677 5.652 ( 2.458 1.425 -2.229) 3.611 5.718 ( 0.454 -1.332 2.929) 3.250 5.972 ( -7.101 2.409 2.783) 7.999 6.180 ( -5.087 -2.206 5.650) 7.916 6.252 ( 4.942 0.785 -10.612) 11.733 6.357 ( 9.525 5.571 -5.881) 12.504 6.593 ( 1.205 -1.084 -1.665) 2.324 6.767 ( 8.817 -3.324 0.404) 9.431 7.929 ( -5.022 -0.114 3.167) 5.939 7.953 ( 0.397 -0.364 -6.538) 6.560 8.112 ( -10.045 -0.537 -3.727) 10.728 8.250 ( -6.633 -0.083 5.538) 8.641 8.915 ( -8.006 0.471 10.210) 12.983 9.007 ( 7.561 -1.307 -13.186) 15.256 10.293 ( -7.810 3.373 6.233) 10.546 10.499 ( 10.630 0.167 -1.587) 10.749 12.191 ( -0.947 0.427 -10.619) 10.669 12.358 ( 1.861 0.626 9.416) 9.619 12.671 ( -10.263 -0.019 -0.552) 10.278 12.881 ( -15.474 -1.248 9.434) 18.166 13.073 ( 11.548 0.134 -3.642) 12.109 13.323 ( 9.472 2.421 3.958) 10.547 13.574 ( -4.836 -0.045 0.102) 4.838 13.674 ( 1.688 0.545 -1.502) 2.324 13.928 ( -2.910 2.592 1.444) 4.156 14.001 ( 1.200 -0.430 3.309) 3.546 15.119 ( -2.670 0.771 2.697) 3.873 15.158 ( 0.676 5.280 -7.717) 9.375 15.630 ( -6.623 -1.929 -0.571) 6.922 15.933 ( 12.623 0.266 1.811) 12.755 16.113 ( -0.655 -0.161 0.473) 0.824 16.157 ( 2.449 -3.369 -0.428) 4.187 18.509 ( -6.975 0.638 4.946) 8.574 18.695 ( 8.134 -0.184 -4.454) 9.275 24.086 ( 4.774 -0.357 -2.922) 5.609 24.196 ( 9.554 0.315 8.434) 12.748 25.795 ( -3.950 0.747 0.903) 4.120 25.856 ( 0.108 -0.441 1.098) 1.188 26.685 ( -0.448 0.293 -2.752) 2.804 26.694 ( -0.779 0.020 1.574) 1.756 27.238 ( -23.013 4.670 -11.554) 26.171 27.911 ( 13.200 2.092 1.697) 13.472 28.378 ( -5.643 11.730 1.505) 13.104 28.560 ( 4.420 11.984 -0.728) 12.794 28.785 ( -2.923 -2.287 2.098) 4.263 28.839 ( 1.864 -9.887 -2.926) 10.478 28.990 ( 6.362 -3.905 -3.689) 8.327 29.012 ( 0.981 -15.958 8.121) 17.932 ======================= Grid point 201 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 12.274 -4.015 -13.884) 18.961 1.756 ( 9.762 -3.970 -1.693) 10.673 1.805 ( 9.505 -5.734 5.177) 12.249 2.112 ( 9.025 -5.605 9.551) 14.286 2.458 ( -4.500 2.820 4.382) 6.885 2.634 ( -8.087 0.347 -0.479) 8.109 2.704 ( -3.061 2.027 -4.543) 5.841 2.742 ( 3.897 2.245 -7.758) 8.967 2.772 ( 6.189 -3.831 -5.244) 8.971 2.927 ( 1.209 -1.837 -6.769) 7.118 3.107 ( -0.702 -1.502 4.989) 5.257 3.202 ( 6.136 -4.725 8.950) 11.835 3.464 ( 4.432 -2.825 -7.626) 9.262 3.626 ( -7.680 0.849 10.056) 12.682 3.794 ( 20.812 0.784 -0.100) 20.827 4.115 ( 11.306 1.157 -3.083) 11.776 4.254 ( 11.233 -2.254 -0.641) 11.475 4.416 ( 6.786 -3.988 13.055) 15.244 4.675 ( 2.215 -0.041 -6.781) 7.134 4.805 ( -0.760 -6.040 1.154) 6.196 5.012 ( -6.916 0.326 -5.362) 8.757 5.022 ( -6.524 1.797 -7.709) 10.258 5.054 ( -1.858 2.284 3.405) 4.502 5.265 ( -7.004 4.629 8.776) 12.145 5.653 ( -1.450 0.169 1.512) 2.102 5.712 ( 2.296 3.749 0.665) 4.446 5.910 ( -1.778 4.013 3.348) 5.521 6.185 ( 0.301 -2.009 -2.265) 3.043 6.254 ( 4.297 -0.748 -11.965) 12.736 6.350 ( 0.877 4.792 0.787) 4.935 6.633 ( 3.248 -1.509 -2.068) 4.136 6.895 ( 5.492 1.248 -0.795) 5.688 7.858 ( -5.857 0.193 1.171) 5.976 7.915 ( -0.720 1.088 -6.415) 6.546 7.928 ( -13.767 -3.011 -1.692) 14.194 8.116 ( -14.301 -0.440 3.866) 14.821 8.844 ( -6.492 1.003 6.945) 9.560 9.085 ( 9.119 -3.696 -11.590) 15.203 10.132 ( -10.690 7.166 7.028) 14.664 10.669 ( 11.167 -0.322 2.364) 11.419 12.121 ( 0.004 0.325 -9.709) 9.714 12.420 ( 1.410 0.827 6.446) 6.650 12.536 ( -7.387 -0.446 -0.379) 7.410 12.726 ( -13.230 -2.006 7.367) 15.275 13.238 ( 9.721 -0.406 -0.424) 9.739 13.429 ( 4.259 1.959 7.542) 8.880 13.518 ( -2.183 -0.233 -0.071) 2.196 13.661 ( 0.805 2.434 -1.924) 3.205 13.849 ( -1.018 5.693 -1.322) 5.932 14.045 ( 0.747 -0.234 5.102) 5.162 14.960 ( -5.689 7.113 -10.312) 13.758 15.125 ( -0.935 -0.939 1.916) 2.329 15.584 ( -3.321 -2.493 -1.614) 4.455 16.101 ( 1.433 0.005 1.748) 2.260 16.135 ( 8.407 -0.590 2.291) 8.734 16.239 ( 3.061 -3.352 -0.576) 4.576 18.431 ( -5.256 1.501 3.810) 6.663 18.783 ( 6.024 -0.325 -3.084) 6.775 24.167 ( 6.811 -0.460 -2.388) 7.232 24.413 ( 12.172 2.227 11.718) 17.042 25.726 ( -4.422 0.984 1.318) 4.718 25.871 ( -0.478 -1.155 2.036) 2.389 26.642 ( -2.204 0.549 -3.380) 4.072 26.684 ( -1.799 1.216 -1.296) 2.528 26.801 ( -15.383 3.591 -14.029) 21.126 28.023 ( 1.328 -1.291 1.094) 2.151 28.226 ( 1.989 11.028 3.446) 11.724 28.499 ( 3.294 7.298 -1.565) 8.158 28.763 ( -1.612 0.127 0.477) 1.686 28.955 ( 3.621 -5.397 -2.624) 7.008 29.122 ( 7.463 -4.686 -5.519) 10.398 29.237 ( -4.512 -14.911 12.095) 19.723 ======================= Grid point 202 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 8.808 -3.823 -8.405) 12.761 1.952 ( 10.607 -1.584 3.299) 11.221 2.021 ( 6.198 -8.020 -1.147) 10.200 2.303 ( 2.557 -1.712 5.020) 5.888 2.383 ( -4.141 2.257 3.534) 5.893 2.505 ( -5.596 1.117 2.672) 6.300 2.559 ( -3.722 6.757 -0.553) 7.734 2.715 ( -0.624 -1.702 -11.528) 11.670 2.913 ( 4.774 -5.120 -0.920) 7.060 2.948 ( 3.370 -0.874 -5.181) 6.243 3.108 ( -2.140 0.714 3.462) 4.132 3.317 ( -2.196 -1.125 -1.159) 2.726 3.474 ( 0.297 -3.155 4.104) 5.185 3.652 ( 4.007 -0.812 0.356) 4.104 3.931 ( 0.595 0.443 4.266) 4.330 4.315 ( 9.344 0.821 0.074) 9.380 4.492 ( 20.742 -0.287 -5.151) 21.374 4.593 ( 5.972 1.060 5.692) 8.318 4.649 ( -1.441 -0.447 -3.368) 3.691 4.823 ( -9.434 -4.347 0.455) 10.397 4.909 ( 0.231 -3.837 1.123) 4.005 4.993 ( 4.339 -0.185 -6.134) 7.516 5.044 ( 3.450 2.074 -3.056) 5.054 5.228 ( -2.309 -0.843 12.329) 12.571 5.608 ( -5.036 0.962 2.221) 5.587 5.744 ( 7.491 3.472 -3.617) 9.014 5.852 ( -3.020 2.711 6.214) 7.422 6.175 ( 0.840 0.922 -6.408) 6.528 6.253 ( 2.006 -1.602 -10.412) 10.724 6.299 ( -2.346 4.101 5.087) 6.943 6.693 ( 1.047 -3.922 -1.267) 4.252 6.893 ( 0.641 4.877 0.307) 4.929 7.758 ( -7.997 -1.323 -3.355) 8.772 7.780 ( -5.028 1.094 2.657) 5.791 7.863 ( -2.931 -0.297 -2.904) 4.137 7.932 ( -11.608 -1.201 0.605) 11.686 8.790 ( -3.394 0.739 3.562) 4.975 9.232 ( 10.326 -5.886 -8.602) 14.672 9.908 ( -11.700 8.213 6.884) 15.866 10.836 ( 7.515 -0.488 3.355) 8.245 12.070 ( 0.163 0.136 -7.545) 7.548 12.440 ( -1.314 0.462 1.290) 1.899 12.480 ( -1.066 -1.258 0.746) 1.810 12.618 ( -8.119 -0.301 5.786) 9.974 13.342 ( 3.809 -0.414 -0.032) 3.831 13.491 ( -5.853 -6.258 7.478) 11.373 13.518 ( 3.385 1.738 0.344) 3.821 13.644 ( 5.989 8.339 0.793) 10.297 13.758 ( 0.465 4.558 -6.267) 7.763 14.082 ( 0.190 -0.080 4.020) 4.025 14.764 ( -5.141 2.516 -7.035) 9.069 15.134 ( -0.544 -0.896 0.825) 1.334 15.560 ( -1.702 -1.274 -1.444) 2.570 16.108 ( 0.040 -0.045 0.695) 0.698 16.266 ( 4.998 -0.348 2.029) 5.405 16.306 ( 1.929 -1.842 -0.397) 2.696 18.368 ( -3.005 1.229 2.010) 3.819 18.841 ( 3.075 -0.196 -1.541) 3.446 24.251 ( 4.836 -0.331 -1.526) 5.081 24.595 ( 7.463 2.810 8.785) 11.865 25.670 ( -2.661 0.587 1.243) 2.995 25.891 ( -0.193 -1.091 1.792) 2.107 26.462 ( -7.962 2.023 -12.153) 14.669 26.583 ( -2.003 0.844 -2.540) 3.343 26.712 ( -0.476 -0.330 0.493) 0.760 28.011 ( -3.622 -0.818 1.440) 3.983 28.210 ( 4.805 5.365 1.471) 7.351 28.466 ( 1.748 3.543 -0.889) 4.049 28.746 ( -0.650 0.145 0.104) 0.674 29.039 ( 3.211 -2.198 -1.819) 4.295 29.237 ( 6.985 -1.429 -5.115) 8.775 29.352 ( -7.232 -9.432 9.673) 15.324 ======================= Grid point 203 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -0.000 0.000 -0.000) 0.000 2.064 ( -0.000 0.000 0.000) 0.000 2.184 ( 0.000 -0.000 -0.000) 0.000 2.207 ( -0.000 0.000 0.000) 0.000 2.376 ( -0.000 0.000 0.000) 0.000 2.472 ( -0.000 -0.000 -0.000) 0.000 2.517 ( -0.000 0.000 0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 -0.000) 0.000 3.094 ( -0.000 0.000 0.000) 0.000 3.282 ( -0.000 0.000 0.000) 0.000 3.509 ( -0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 -0.000) 0.000 3.937 ( -0.000 0.000 0.000) 0.000 4.367 ( -0.000 0.000 0.000) 0.000 4.600 ( -0.000 -0.000 -0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.748 ( -0.000 0.000 -0.000) 0.000 4.966 ( -0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 -0.000) 0.000 5.057 ( -0.000 0.000 0.000) 0.000 5.304 ( -0.000 0.000 0.000) 0.000 5.535 ( -0.000 0.000 0.000) 0.000 5.755 ( -0.000 0.000 0.000) 0.000 5.861 ( -0.000 0.000 -0.000) 0.000 6.142 ( -0.000 0.000 0.000) 0.000 6.242 ( -0.000 0.000 -0.000) 0.000 6.269 ( -0.000 0.000 0.000) 0.000 6.720 ( -0.000 0.000 0.000) 0.000 6.862 ( -0.000 0.000 0.000) 0.000 7.695 ( -0.000 0.000 0.000) 0.000 7.740 ( -0.000 0.000 0.000) 0.000 7.832 ( -0.000 0.000 0.000) 0.000 7.847 ( -0.000 0.000 -0.000) 0.000 8.770 ( -0.000 0.000 0.000) 0.000 9.355 ( -0.000 0.000 0.000) 0.000 9.756 ( -0.000 0.000 0.000) 0.000 10.911 ( -0.000 0.000 0.000) 0.000 12.045 ( -0.000 0.000 0.000) 0.000 12.426 ( -0.000 0.000 0.000) 0.000 12.490 ( -0.000 0.000 0.000) 0.000 12.573 ( -0.000 0.000 0.000) 0.000 13.372 ( -0.000 0.000 0.000) 0.000 13.488 ( -0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 -0.000) 0.000 13.626 ( -0.000 -0.000 0.000) 0.000 13.719 ( -0.000 0.000 0.000) 0.000 14.095 ( -0.000 0.000 0.000) 0.000 14.689 ( -0.000 0.000 0.000) 0.000 15.137 ( -0.000 0.000 0.000) 0.000 15.550 ( -0.000 0.000 0.000) 0.000 16.111 ( -0.000 0.000 0.000) 0.000 16.310 ( -0.000 0.000 0.000) 0.000 16.330 ( -0.000 0.000 -0.000) 0.000 18.344 ( -0.000 0.000 0.000) 0.000 18.860 ( -0.000 0.000 0.000) 0.000 24.287 ( -0.000 0.000 0.000) 0.000 24.659 ( -0.000 0.000 0.000) 0.000 25.650 ( -0.000 0.000 0.000) 0.000 25.903 ( -0.000 0.000 0.000) 0.000 26.355 ( -0.000 0.000 0.000) 0.000 26.553 ( -0.000 0.000 0.000) 0.000 26.713 ( -0.000 0.000 0.000) 0.000 27.990 ( -0.000 0.000 0.000) 0.000 28.222 ( -0.000 0.000 0.000) 0.000 28.456 ( -0.000 0.000 0.000) 0.000 28.741 ( -0.000 0.000 0.000) 0.000 29.072 ( -0.000 0.000 0.000) 0.000 29.287 ( 0.000 0.000 -0.000) 0.000 29.375 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 209 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 18.292 0.000 -19.954) 27.069 1.659 ( 12.167 0.000 -16.341) 20.373 1.799 ( 7.717 0.000 22.109) 23.417 2.030 ( 10.569 0.000 11.612) 15.702 2.494 ( -4.610 -0.000 4.836) 6.681 2.634 ( 0.992 0.000 -14.220) 14.254 2.663 ( -3.187 -0.000 5.215) 6.112 2.736 ( 4.262 0.000 -8.921) 9.887 2.863 ( 1.152 0.000 -10.525) 10.588 2.890 ( -0.389 -0.000 0.747) 0.842 3.101 ( 8.128 0.000 2.124) 8.401 3.115 ( -0.116 -0.000 14.380) 14.381 3.433 ( 4.234 0.000 -8.109) 9.148 3.637 ( -7.822 -0.000 10.947) 13.455 3.804 ( 21.422 0.000 0.134) 21.422 4.131 ( 11.361 0.000 -2.115) 11.556 4.220 ( 10.884 0.000 -1.369) 10.969 4.359 ( 8.463 0.000 11.687) 14.429 4.692 ( 4.731 0.000 -8.417) 9.656 4.706 ( -4.095 -0.000 6.296) 7.510 4.976 ( -19.573 -0.000 -5.414) 20.308 5.073 ( 1.344 0.000 -12.354) 12.427 5.074 ( -4.856 -0.000 8.449) 9.745 5.345 ( -6.584 -0.000 1.833) 6.835 5.644 ( -2.033 -0.000 3.889) 4.388 5.767 ( 0.560 0.000 3.112) 3.162 5.981 ( 3.456 0.000 -1.027) 3.605 6.104 ( -3.679 -0.000 -1.615) 4.018 6.261 ( 3.796 0.000 -10.196) 10.879 6.380 ( -4.825 -0.000 4.452) 6.565 6.691 ( 9.772 0.000 -9.048) 13.317 6.891 ( 9.845 0.000 1.346) 9.936 7.851 ( -6.172 -0.000 0.069) 6.172 7.869 ( -9.964 -0.000 -1.532) 10.081 7.948 ( -4.842 -0.000 -6.963) 8.481 8.116 ( -15.066 -0.000 6.000) 16.217 8.858 ( -6.860 -0.000 7.333) 10.041 9.036 ( 8.546 0.000 -13.337) 15.840 10.227 ( -10.936 -0.000 9.554) 14.522 10.657 ( 11.138 0.000 -0.086) 11.139 12.125 ( -0.552 -0.000 -9.282) 9.298 12.430 ( 0.691 0.000 6.675) 6.711 12.537 ( -7.513 -0.000 -0.379) 7.522 12.692 ( -12.702 -0.000 7.910) 14.964 13.233 ( 9.638 0.000 -0.597) 9.656 13.432 ( -4.408 -0.000 8.605) 9.668 13.530 ( 1.788 0.000 -0.702) 1.920 13.688 ( 2.016 0.000 -3.685) 4.200 13.934 ( -0.628 -0.000 6.260) 6.292 14.040 ( 1.315 0.000 4.607) 4.791 15.106 ( -6.206 -0.000 -12.218) 13.704 15.107 ( -0.954 -0.000 1.435) 1.723 15.508 ( -6.179 -0.000 0.233) 6.184 16.125 ( 10.694 0.000 2.198) 10.917 16.138 ( 3.238 0.000 -4.895) 5.869 16.168 ( 2.369 0.000 4.065) 4.705 18.455 ( -5.093 -0.000 4.807) 7.003 18.778 ( 6.228 0.000 -3.572) 7.180 24.162 ( 7.101 0.000 -2.535) 7.540 24.446 ( 12.847 0.000 14.814) 19.609 25.739 ( -5.134 -0.000 1.572) 5.369 25.855 ( -0.400 -0.000 1.781) 1.825 26.646 ( -2.847 -0.000 -3.895) 4.824 26.693 ( -0.413 -0.000 1.404) 1.463 26.864 ( -19.278 -0.000 -15.063) 24.465 27.997 ( -1.491 -0.000 1.269) 1.958 28.441 ( 2.348 0.000 -4.913) 5.445 28.706 ( -0.538 -0.000 0.588) 0.797 28.709 ( -1.628 -0.000 5.220) 5.468 28.789 ( 1.260 0.000 0.975) 1.593 28.964 ( 2.001 0.000 6.343) 6.651 29.105 ( 12.755 0.000 -5.485) 13.885 ======================= Grid point 210 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 12.848 0.209 -12.696) 18.064 1.820 ( 16.784 -5.184 -15.216) 23.240 2.024 ( 8.602 2.401 16.498) 18.760 2.234 ( 6.553 -2.421 6.882) 9.807 2.445 ( -4.486 1.902 5.420) 7.288 2.528 ( -4.119 1.402 -7.593) 8.751 2.664 ( -2.355 -0.290 4.058) 4.701 2.700 ( -4.170 -1.192 -4.248) 6.071 2.848 ( 7.719 2.875 -6.761) 10.656 2.931 ( 4.806 -1.320 -4.595) 6.779 3.149 ( 0.395 2.799 5.577) 6.252 3.260 ( 1.825 -3.526 2.050) 4.468 3.388 ( -0.435 -2.652 -1.656) 3.157 3.656 ( 2.703 0.398 2.121) 3.459 3.940 ( 0.037 0.244 3.531) 3.540 4.351 ( 7.952 2.498 3.517) 9.047 4.453 ( 18.539 -3.312 1.186) 18.870 4.569 ( 11.816 -1.898 1.965) 12.128 4.626 ( -7.612 -0.941 -6.595) 10.116 4.703 ( -4.368 -2.871 5.916) 7.894 4.841 ( 3.940 -1.738 -0.297) 4.317 5.008 ( 0.374 0.642 -10.633) 10.659 5.059 ( -1.570 -0.433 4.087) 4.400 5.258 ( -4.147 1.902 3.185) 5.564 5.645 ( -2.197 2.048 6.092) 6.792 5.771 ( -0.656 -1.938 1.005) 2.280 5.940 ( -1.950 6.444 -2.388) 7.144 6.103 ( -1.734 -6.366 -6.124) 9.002 6.248 ( 2.196 0.738 -7.732) 8.072 6.331 ( -5.884 -0.472 5.763) 8.249 6.731 ( 5.933 4.237 -5.106) 8.900 7.018 ( 8.149 3.587 -1.671) 9.059 7.707 ( -9.075 -1.794 -0.781) 9.284 7.770 ( -5.176 -1.386 0.657) 5.399 7.871 ( -2.436 0.564 -3.833) 4.576 7.917 ( -13.181 -0.071 3.322) 13.593 8.802 ( -4.226 0.299 3.294) 5.366 9.120 ( 9.852 -2.897 -10.542) 14.717 10.069 ( -14.674 4.348 10.978) 18.834 10.810 ( 7.533 -1.172 0.531) 7.642 12.068 ( -1.077 -0.173 -6.640) 6.729 12.450 ( -3.422 0.275 0.295) 3.446 12.456 ( -0.488 -0.642 1.811) 1.983 12.610 ( -5.031 -0.227 5.966) 7.807 13.333 ( 3.590 -0.247 0.672) 3.661 13.370 ( -9.815 -2.804 8.071) 13.013 13.547 ( -0.419 0.787 -0.141) 0.903 13.700 ( 2.491 0.073 -3.197) 4.053 13.979 ( 4.817 7.139 9.024) 12.473 14.080 ( 1.167 -0.053 1.905) 2.234 14.866 ( -8.579 5.045 -12.353) 15.864 15.112 ( 0.330 -0.814 -0.524) 1.023 15.470 ( -4.343 -4.706 1.497) 6.576 16.143 ( 3.104 2.298 -2.980) 4.878 16.250 ( 3.176 -2.182 2.420) 4.551 16.262 ( 5.947 -0.335 0.040) 5.956 18.405 ( -3.567 1.305 3.139) 4.927 18.835 ( 3.358 -0.202 -1.925) 3.876 24.247 ( 5.490 -0.054 -1.897) 5.808 24.666 ( 5.202 2.340 14.212) 15.314 25.675 ( -4.263 -0.039 1.686) 4.585 25.878 ( 1.829 -0.161 2.436) 3.050 26.498 ( -10.556 0.834 -11.384) 15.547 26.609 ( -3.385 1.177 -5.788) 6.808 26.700 ( -0.336 -0.485 0.839) 1.025 27.965 ( -4.276 -1.960 2.196) 5.191 28.382 ( 1.130 7.178 -5.599) 9.174 28.615 ( 0.045 8.417 1.946) 8.639 28.745 ( -0.770 -0.702 0.302) 1.085 28.878 ( -0.468 -9.008 4.087) 9.903 29.079 ( -1.012 -8.474 6.925) 10.991 29.278 ( 15.641 0.657 -7.945) 17.556 ======================= Grid point 211 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 9.581 0.008 -5.178) 10.890 2.030 ( 12.416 -4.235 -10.303) 16.681 2.147 ( 3.872 4.479 4.275) 7.303 2.316 ( -0.480 -1.959 2.049) 2.875 2.363 ( -4.115 5.210 5.492) 8.616 2.477 ( 0.391 -0.575 -2.488) 2.583 2.595 ( -4.781 2.628 -3.552) 6.510 2.683 ( 3.066 2.144 9.631) 10.332 2.925 ( 3.344 -1.165 1.057) 3.695 2.985 ( 4.726 -0.346 -5.313) 7.119 3.140 ( 1.157 3.480 1.139) 3.840 3.254 ( -2.049 -1.899 1.301) 3.082 3.462 ( 0.190 -3.974 0.549) 4.016 3.715 ( 5.833 0.439 -4.173) 7.185 3.933 ( -1.768 -0.190 1.047) 2.064 4.384 ( -2.116 -0.122 1.055) 2.368 4.501 ( -3.839 -1.767 0.418) 4.247 4.619 ( -7.560 -4.500 -4.728) 9.988 4.676 ( 0.539 -0.985 4.469) 4.607 4.793 ( 2.923 1.403 12.690) 13.097 4.931 ( 3.909 -1.724 1.191) 4.435 4.981 ( -1.269 -1.732 -0.231) 2.160 5.071 ( 2.215 0.576 -8.450) 8.755 5.287 ( 7.107 -1.044 2.108) 7.486 5.583 ( -3.279 3.580 0.712) 4.907 5.792 ( -1.789 -0.927 -4.662) 5.078 5.814 ( -6.647 0.323 3.176) 7.374 6.064 ( -5.521 -5.057 -7.215) 10.397 6.235 ( 0.833 0.477 -1.411) 1.706 6.288 ( -3.631 -0.469 3.021) 4.747 6.741 ( 3.926 3.777 1.140) 5.566 7.024 ( 6.040 8.816 -4.593) 11.632 7.667 ( 1.644 -1.566 -1.721) 2.849 7.746 ( -2.708 -0.045 4.533) 5.280 7.817 ( 1.437 -1.037 -0.492) 1.839 7.838 ( -1.150 -0.624 0.082) 1.311 8.769 ( -0.958 -0.071 -0.720) 1.201 9.268 ( 8.925 -5.138 -5.423) 11.639 9.845 ( -14.083 5.309 9.362) 17.725 10.887 ( 0.351 -1.683 -2.231) 2.817 12.034 ( -0.859 -0.762 -0.494) 1.250 12.430 ( 0.508 0.303 0.123) 0.604 12.471 ( 1.267 -1.198 -1.676) 2.419 12.590 ( -0.463 0.999 2.408) 2.648 13.322 ( -10.994 -7.573 8.012) 15.569 13.366 ( 0.571 -0.385 0.271) 0.741 13.514 ( -1.972 0.849 0.655) 2.245 13.706 ( -1.763 -0.822 -0.338) 1.975 13.952 ( 3.437 14.106 1.219) 14.569 14.095 ( 1.243 0.021 -2.854) 3.113 14.699 ( -1.521 0.924 -2.974) 3.466 15.128 ( 1.474 -0.718 -1.827) 2.455 15.487 ( -2.796 -4.556 3.322) 6.294 16.144 ( 2.774 2.293 -2.568) 4.421 16.312 ( 0.614 0.029 0.283) 0.677 16.317 ( 2.153 -0.989 -0.623) 2.450 18.365 ( -0.836 1.457 0.734) 1.833 18.858 ( 0.202 -0.166 -0.144) 0.298 24.290 ( 1.044 0.215 -0.636) 1.241 24.689 ( -5.009 2.095 4.590) 7.109 25.641 ( -1.739 -0.589 1.071) 2.125 25.923 ( 2.939 1.442 0.879) 3.389 26.353 ( -2.010 -0.110 -1.466) 2.490 26.552 ( -0.696 -0.007 -2.152) 2.262 26.705 ( -0.213 -0.501 0.280) 0.612 27.957 ( -1.866 -2.553 2.107) 3.800 28.270 ( -2.538 3.866 -6.743) 8.176 28.538 ( -0.695 6.322 2.111) 6.701 28.741 ( -0.073 -0.045 -0.319) 0.330 28.968 ( -4.994 -7.916 5.156) 10.686 29.189 ( -0.212 -5.328 6.601) 8.486 29.441 ( 15.722 2.815 -10.656) 19.200 ======================= Grid point 212 (102/114) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -1.227 5.434 4.356) 7.071 2.026 ( -3.083 5.750 -5.453) 8.504 2.216 ( 3.014 0.910 0.576) 3.201 2.308 ( 1.997 5.610 -2.120) 6.321 2.325 ( 0.739 -3.719 -3.633) 5.252 2.455 ( -0.235 0.069 -4.443) 4.450 2.542 ( 3.367 1.575 5.030) 6.254 2.770 ( 0.716 3.056 13.559) 13.917 2.956 ( -1.108 0.605 6.488) 6.610 2.999 ( 0.499 0.954 -5.414) 5.520 3.127 ( 3.295 2.646 -1.821) 4.602 3.308 ( 2.858 -1.843 3.055) 4.571 3.489 ( 2.652 -1.583 -6.014) 6.760 3.714 ( -1.684 3.563 -1.188) 4.116 3.914 ( -1.278 -1.171 -4.423) 4.750 4.305 ( -13.662 -0.320 1.592) 13.758 4.438 ( -14.732 -5.190 2.970) 15.900 4.541 ( -1.308 -2.072 -0.038) 2.450 4.639 ( -5.309 -0.780 3.502) 6.408 4.860 ( 0.214 0.936 6.258) 6.331 4.959 ( -2.595 -0.425 1.833) 3.206 4.986 ( -1.124 -1.848 -0.263) 2.179 5.031 ( -1.901 0.847 0.311) 2.104 5.306 ( 1.638 4.904 -12.170) 13.223 5.586 ( 4.775 -0.992 2.235) 5.365 5.698 ( -11.249 -1.213 1.555) 11.421 5.757 ( -0.164 -3.346 -6.006) 6.878 6.053 ( -4.120 -8.221 0.305) 9.201 6.243 ( -0.214 0.265 3.732) 3.748 6.281 ( 0.421 -0.440 0.331) 0.693 6.780 ( 3.435 2.634 5.061) 6.660 6.958 ( 4.194 9.454 -7.173) 12.587 7.734 ( 4.162 -1.734 -1.032) 4.625 7.766 ( 2.702 -0.651 2.725) 3.893 7.872 ( 6.855 0.236 2.977) 7.478 7.955 ( 12.695 0.386 0.717) 12.721 8.771 ( 2.610 -0.785 -4.372) 5.152 9.339 ( -6.318 1.883 6.070) 8.962 9.747 ( 2.461 -4.164 -0.142) 4.839 10.823 ( -7.742 -1.473 -6.144) 9.993 12.059 ( -0.183 -0.711 7.634) 7.669 12.436 ( 0.629 0.148 -2.572) 2.652 12.501 ( 2.875 0.330 -0.039) 2.894 12.621 ( 7.097 0.018 -4.190) 8.242 13.294 ( -12.871 -9.513 7.125) 17.519 13.368 ( -1.495 -1.392 -2.601) 3.307 13.508 ( 1.225 -0.377 2.956) 3.222 13.650 ( -6.087 0.622 0.829) 6.174 13.821 ( 0.909 9.479 -2.581) 9.866 14.084 ( 0.909 0.090 -6.516) 6.580 14.739 ( 4.594 -0.090 5.694) 7.317 15.145 ( 1.878 -0.055 -3.095) 3.621 15.527 ( -1.230 -3.253 4.947) 6.048 16.142 ( 2.658 2.322 -2.596) 4.381 16.276 ( -4.064 0.459 -2.619) 4.856 16.334 ( -0.128 0.608 0.233) 0.663 18.363 ( 2.658 0.700 -1.425) 3.096 18.843 ( -2.883 -0.007 1.438) 3.221 24.263 ( -3.841 0.668 0.918) 4.005 24.560 ( -10.115 -0.180 -3.865) 10.830 25.651 ( 1.370 -0.904 0.008) 1.642 25.926 ( 0.949 1.745 -2.529) 3.216 26.418 ( 4.998 -1.541 10.302) 11.554 26.568 ( 2.444 -0.508 1.789) 3.071 26.709 ( 0.014 -0.545 -0.213) 0.585 27.992 ( 1.567 -2.136 1.009) 2.834 28.141 ( -6.822 -0.898 -7.931) 10.500 28.469 ( -2.501 3.432 2.159) 4.764 28.742 ( 0.459 -0.154 -0.406) 0.632 28.977 ( -7.928 -5.782 4.807) 10.927 29.268 ( 1.162 0.520 7.886) 7.989 29.541 ( 13.880 6.045 -14.073) 20.670 ======================= Grid point 213 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -6.915 7.820 8.572) 13.508 1.850 ( -4.828 7.003 -6.276) 10.570 2.062 ( -7.536 12.046 3.036) 14.530 2.242 ( -5.498 4.889 -5.664) 9.285 2.385 ( 5.420 -2.796 -3.637) 7.101 2.536 ( 8.234 -5.516 -4.242) 10.781 2.652 ( 6.478 0.305 5.548) 8.534 2.771 ( -5.692 1.031 11.257) 12.657 2.907 ( -4.360 5.071 -1.795) 6.924 2.971 ( -0.405 2.070 7.947) 8.222 3.159 ( 5.681 3.001 -2.259) 6.811 3.300 ( -4.161 3.155 -5.499) 7.583 3.563 ( 2.929 3.971 5.791) 7.608 3.601 ( -0.066 -0.028 -8.745) 8.745 3.772 ( -20.207 -0.898 0.299) 20.229 4.081 ( -10.987 -1.899 3.851) 11.796 4.298 ( -9.523 1.041 -0.701) 9.606 4.496 ( -4.005 1.963 -11.418) 12.259 4.655 ( 0.061 -2.820 7.078) 7.620 4.844 ( -9.324 -5.384 10.609) 15.115 4.943 ( -2.248 -3.242 -0.744) 4.015 4.967 ( -3.891 1.566 2.024) 4.657 5.070 ( 11.725 0.388 -2.738) 12.047 5.232 ( 4.773 2.471 -11.099) 12.331 5.603 ( -5.002 -2.668 1.262) 5.808 5.671 ( 5.123 -0.666 -1.907) 5.507 5.781 ( -1.066 -6.196 -3.027) 6.978 6.099 ( -6.835 -8.870 7.077) 13.247 6.259 ( -1.145 -0.173 4.544) 4.689 6.290 ( 0.399 0.713 -0.555) 0.988 6.790 ( 0.494 7.817 4.422) 8.995 6.882 ( 2.139 3.122 -5.607) 6.765 7.823 ( 5.577 -2.771 -2.929) 6.881 7.847 ( 1.317 -3.053 6.711) 7.490 8.028 ( 12.665 3.656 3.195) 13.564 8.146 ( 13.737 1.831 -1.499) 13.939 8.816 ( 6.401 -1.335 -7.563) 9.998 9.184 ( -12.204 4.335 10.876) 16.913 9.938 ( 10.251 -8.834 -3.179) 13.901 10.652 ( -11.954 -1.795 -6.209) 13.590 12.114 ( -0.244 -0.104 10.556) 10.559 12.404 ( -1.481 -0.252 -5.891) 6.080 12.560 ( 6.614 1.346 0.599) 6.776 12.748 ( 12.640 -0.609 -6.541) 14.245 13.224 ( -12.964 -4.718 4.311) 14.454 13.308 ( -7.553 -3.819 -4.045) 9.381 13.568 ( -0.808 2.134 -0.104) 2.284 13.592 ( 4.442 -2.391 2.028) 5.437 13.767 ( -1.058 -0.183 2.850) 3.046 14.047 ( -0.522 -0.110 -6.750) 6.771 14.866 ( 5.461 -1.183 8.581) 10.241 15.144 ( 1.337 0.531 -4.550) 4.772 15.580 ( 0.434 -1.877 5.202) 5.548 16.137 ( -0.313 2.253 -4.833) 5.341 16.155 ( -5.584 1.183 -1.847) 5.999 16.304 ( -1.994 2.117 0.517) 2.954 18.410 ( 5.749 -0.079 -3.031) 6.500 18.789 ( -5.793 0.198 2.767) 6.423 24.184 ( -6.112 0.971 1.998) 6.503 24.373 ( -11.181 -0.910 -7.048) 13.249 25.700 ( 3.643 -1.131 -0.440) 3.840 25.897 ( -0.249 0.975 -2.934) 3.102 26.589 ( 3.343 -3.675 5.087) 7.111 26.659 ( 4.210 -0.230 5.963) 7.303 26.751 ( 7.264 -1.289 7.681) 10.650 27.984 ( -12.027 -4.624 -6.472) 14.419 28.073 ( 5.327 -2.303 -2.945) 6.508 28.412 ( -4.337 -0.224 2.296) 4.912 28.755 ( 1.165 -0.438 -0.485) 1.336 28.938 ( -7.737 -3.690 3.809) 9.380 29.294 ( 1.019 6.813 10.074) 12.204 29.537 ( 9.787 10.017 -17.052) 22.066 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -10.081 7.884 14.758) 19.534 1.667 ( -0.442 6.702 -15.378) 16.781 1.838 ( -6.419 12.669 9.625) 17.157 2.007 ( -8.316 8.830 -9.618) 15.480 2.484 ( 6.436 -1.648 -2.547) 7.115 2.674 ( -3.309 -3.095 4.779) 6.585 2.714 ( 2.509 0.194 -4.197) 4.894 2.741 ( -2.682 -0.233 5.680) 6.286 2.813 ( 1.542 3.354 7.653) 8.497 3.018 ( 4.918 0.847 4.569) 6.766 3.108 ( -6.846 5.067 -9.191) 12.531 3.166 ( 4.304 6.222 -3.900) 8.512 3.321 ( -16.808 2.059 0.668) 16.947 3.490 ( -16.221 4.450 3.024) 17.090 3.777 ( 13.565 -0.999 -1.493) 13.683 4.041 ( -1.925 -1.224 0.170) 2.287 4.149 ( -7.270 2.048 3.760) 8.438 4.292 ( -6.557 4.360 -12.583) 14.844 4.716 ( 0.004 0.754 9.672) 9.701 4.837 ( -1.903 1.229 -4.008) 4.603 4.945 ( -2.256 -7.077 7.386) 10.475 4.985 ( -0.438 -6.839 -2.818) 7.410 5.238 ( 6.300 -1.016 3.077) 7.084 5.270 ( 7.864 -4.508 -9.833) 13.373 5.613 ( 2.009 -1.651 0.604) 2.669 5.732 ( 2.103 -0.648 -2.650) 3.444 5.851 ( 3.820 -7.254 -1.381) 8.313 6.124 ( -10.282 -9.462 8.121) 16.161 6.254 ( 0.072 0.852 -2.650) 2.784 6.267 ( -2.871 1.868 5.345) 6.349 6.716 ( 2.490 8.295 0.534) 8.677 6.833 ( -3.840 2.631 -0.329) 4.666 7.911 ( 4.918 -1.979 -4.216) 6.773 7.931 ( -1.049 -2.739 7.627) 8.171 8.167 ( 10.449 4.134 1.272) 11.308 8.269 ( 6.378 1.837 -2.187) 6.988 8.897 ( 8.887 -1.057 -10.026) 13.440 9.048 ( -9.913 1.929 11.919) 15.622 10.165 ( 9.358 -7.054 -2.311) 11.944 10.470 ( -11.731 -2.517 -2.716) 12.301 12.179 ( 0.760 -0.290 10.431) 10.463 12.339 ( -2.107 -0.598 -8.408) 8.689 12.679 ( 10.922 0.708 -0.523) 10.958 12.909 ( 13.271 0.227 -6.430) 14.748 13.065 ( -14.107 -0.809 2.855) 14.416 13.221 ( -9.278 -5.494 -1.983) 10.964 13.578 ( 2.915 0.261 1.012) 3.096 13.657 ( 0.533 -0.506 -0.616) 0.959 13.836 ( 3.389 -4.668 3.124) 6.560 13.999 ( -2.507 -0.783 -3.940) 4.735 15.014 ( 3.138 -3.686 9.032) 10.247 15.125 ( 0.766 -0.055 -5.762) 5.813 15.647 ( 3.569 -0.447 3.796) 5.230 15.946 ( -11.808 1.358 -4.723) 12.790 16.153 ( 3.358 2.606 -1.579) 4.534 16.238 ( -3.085 3.154 1.022) 4.529 18.494 ( 7.820 -0.319 -4.045) 8.810 18.701 ( -8.100 0.305 3.821) 8.961 24.103 ( -4.367 1.033 2.609) 5.191 24.191 ( -8.084 0.077 -6.133) 10.148 25.771 ( 4.068 -1.165 -0.204) 4.236 25.865 ( -1.244 0.205 -1.885) 2.268 26.664 ( 0.951 -1.712 2.379) 3.081 26.689 ( 0.356 -0.485 -0.918) 1.098 27.093 ( 18.700 -6.064 15.725) 25.174 27.795 ( -16.941 -7.005 -7.880) 19.954 28.190 ( 7.877 -3.983 -3.602) 9.533 28.374 ( -6.112 -4.075 2.830) 7.872 28.784 ( 2.432 -0.772 -0.903) 2.707 28.885 ( -6.173 -1.948 2.815) 7.059 29.254 ( 0.403 12.630 11.782) 17.277 29.397 ( 4.004 14.407 -16.972) 22.620 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.826 5.681 -19.982) 21.575 1.522 ( -5.826 5.681 19.982) 21.575 1.734 ( -0.605 10.047 -16.633) 19.441 1.734 ( 0.605 10.047 16.633) 19.441 2.578 ( 5.278 0.008 -4.378) 6.858 2.578 ( -5.278 0.008 4.378) 6.858 2.768 ( 1.192 -1.961 -4.526) 5.074 2.768 ( -1.192 -1.961 4.526) 5.074 2.907 ( -5.075 0.910 -11.766) 12.846 2.907 ( 5.075 0.910 11.766) 12.846 3.108 ( -1.070 3.425 -4.790) 5.985 3.108 ( 1.070 3.425 4.790) 5.985 3.205 ( -2.625 4.876 -4.910) 7.401 3.205 ( 2.625 4.876 4.910) 7.401 3.965 ( -11.237 -0.559 2.124) 11.449 3.965 ( 11.237 -0.559 -2.124) 11.449 4.123 ( 2.522 2.474 -12.515) 13.004 4.123 ( -2.522 2.474 12.515) 13.004 4.753 ( 0.463 2.782 -8.708) 9.153 4.753 ( -0.463 2.782 8.708) 9.153 5.047 ( 2.966 -5.937 -8.589) 10.855 5.047 ( -2.966 -5.937 8.589) 10.855 5.353 ( 0.397 -6.245 -5.617) 8.409 5.353 ( -0.397 -6.245 5.617) 8.409 5.687 ( -2.749 0.928 -2.010) 3.530 5.687 ( 2.749 0.928 2.010) 3.530 6.081 ( -10.708 -8.352 3.049) 13.918 6.081 ( 10.708 -8.352 -3.049) 13.918 6.233 ( 5.915 1.426 -11.300) 12.834 6.233 ( -5.915 1.426 11.300) 12.834 6.702 ( -4.578 5.351 -1.332) 7.167 6.702 ( 4.578 5.351 1.332) 7.167 7.959 ( 3.488 -0.904 -7.435) 8.262 7.959 ( -3.488 -0.904 7.435) 8.262 8.253 ( -3.700 1.681 -2.755) 4.910 8.253 ( 3.700 1.681 2.755) 4.910 8.971 ( 8.465 0.231 -12.675) 15.244 8.971 ( -8.465 0.231 12.675) 15.244 10.347 ( -0.397 -3.345 -4.322) 5.480 10.347 ( 0.397 -3.345 4.322) 5.480 12.264 ( -1.461 -0.752 -10.622) 10.749 12.264 ( 1.461 -0.752 10.622) 10.749 12.848 ( -10.804 0.822 -1.995) 11.018 12.848 ( 10.804 0.822 1.995) 11.018 13.113 ( -11.562 -2.874 0.079) 11.914 13.113 ( 11.562 -2.874 -0.079) 11.914 13.635 ( -1.778 -0.419 -1.743) 2.525 13.635 ( 1.778 -0.419 1.743) 2.525 13.950 ( -1.873 -1.849 -2.739) 3.799 13.950 ( 1.873 -1.849 2.739) 3.799 15.118 ( 1.571 -2.897 -6.965) 7.705 15.118 ( -1.571 -2.897 6.965) 7.705 15.755 ( -7.928 0.212 -2.985) 8.474 15.755 ( 7.928 0.212 2.985) 8.474 16.160 ( 1.713 3.029 -3.837) 5.180 16.160 ( -1.713 3.029 3.837) 5.180 18.596 ( 6.974 -0.043 -4.480) 8.289 18.596 ( -6.974 -0.043 4.480) 8.289 24.084 ( -1.334 0.685 -4.112) 4.377 24.084 ( 1.334 0.685 4.112) 4.377 25.833 ( -2.369 -0.510 -0.508) 2.476 25.833 ( 2.369 -0.510 0.508) 2.476 26.692 ( 0.411 -0.499 -1.922) 2.028 26.692 ( -0.411 -0.499 1.922) 2.028 27.552 ( -20.631 -7.390 -9.176) 23.758 27.552 ( 20.631 -7.390 9.176) 23.758 28.357 ( 3.660 -7.927 -3.186) 9.294 28.357 ( -3.660 -7.927 3.186) 9.294 28.835 ( 2.941 -0.440 -1.910) 3.535 28.835 ( -2.941 -0.440 1.910) 3.535 29.150 ( 0.535 16.881 -12.321) 20.907 29.150 ( -0.535 16.881 12.321) 20.907 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 12.546 0.000 -8.089) 14.928 1.974 ( 17.481 0.000 -12.906) 21.729 2.223 ( 4.410 0.000 7.300) 8.528 2.293 ( -1.675 -0.000 4.423) 4.730 2.447 ( -2.223 -0.000 5.810) 6.221 2.453 ( -0.364 -0.000 -4.210) 4.226 2.593 ( -3.553 -0.000 -5.898) 6.885 2.718 ( 2.225 0.000 13.782) 13.961 2.943 ( 7.480 0.000 -8.357) 11.216 2.971 ( 3.042 0.000 2.050) 3.668 3.210 ( 1.478 0.000 2.453) 2.864 3.225 ( -2.912 -0.000 1.811) 3.429 3.380 ( 1.148 0.000 -0.656) 1.322 3.721 ( 6.791 0.000 -5.951) 9.030 3.931 ( -2.415 -0.000 1.420) 2.801 4.357 ( -8.299 -0.000 -1.505) 8.435 4.523 ( -4.024 -0.000 2.539) 4.758 4.577 ( 4.312 0.000 4.792) 6.447 4.610 ( -3.082 -0.000 -1.299) 3.345 4.803 ( -1.598 -0.000 18.500) 18.569 4.920 ( 4.252 0.000 0.794) 4.326 4.958 ( -0.022 -0.000 -4.758) 4.758 5.076 ( 3.480 0.000 -9.886) 10.481 5.273 ( 7.128 0.000 1.680) 7.323 5.679 ( -3.740 -0.000 7.310) 8.211 5.691 ( -4.714 -0.000 -3.075) 5.628 5.885 ( -5.336 -0.000 -13.015) 14.066 5.971 ( -6.495 -0.000 -0.921) 6.560 6.244 ( 0.535 0.000 -1.156) 1.273 6.276 ( -4.659 -0.000 4.207) 6.277 6.810 ( 4.006 0.000 0.202) 4.012 7.141 ( 6.956 0.000 -8.276) 10.811 7.655 ( 2.751 0.000 2.228) 3.540 7.730 ( -0.667 -0.000 4.978) 5.023 7.805 ( -0.445 -0.000 -1.055) 1.145 7.828 ( -1.837 -0.000 -0.209) 1.849 8.768 ( -1.267 -0.000 -1.112) 1.686 9.198 ( 9.712 0.000 -6.761) 11.834 9.919 ( -17.714 -0.000 12.542) 21.705 10.860 ( 0.998 0.000 -3.740) 3.870 12.023 ( -1.054 -0.000 -0.783) 1.313 12.439 ( 1.063 0.000 1.397) 1.755 12.450 ( 1.260 0.000 -3.032) 3.284 12.603 ( -0.575 -0.000 2.915) 2.971 13.233 ( -11.981 -0.000 8.109) 14.467 13.361 ( 0.475 0.000 0.679) 0.829 13.528 ( -2.344 -0.000 1.343) 2.701 13.693 ( -2.264 -0.000 -0.431) 2.305 14.093 ( 1.575 0.000 -4.587) 4.850 14.143 ( 0.980 0.000 7.380) 7.445 14.719 ( -3.872 -0.000 -6.779) 7.807 15.115 ( 1.644 0.000 -1.795) 2.435 15.413 ( -1.469 -0.000 3.897) 4.165 16.182 ( 3.066 0.000 -4.487) 5.435 16.296 ( 2.810 0.000 2.141) 3.533 16.314 ( 1.420 0.000 -1.559) 2.109 18.387 ( -1.464 -0.000 1.238) 1.917 18.855 ( 0.367 0.000 -0.311) 0.481 24.293 ( 1.496 0.000 -0.903) 1.747 24.721 ( -7.679 -0.000 6.802) 10.258 25.633 ( -2.058 -0.000 1.331) 2.451 25.946 ( 3.848 0.000 2.108) 4.387 26.351 ( -3.026 -0.000 -2.117) 3.693 26.553 ( -1.175 -0.000 -3.277) 3.481 26.698 ( -0.214 -0.000 0.317) 0.382 27.916 ( -2.038 -0.000 2.384) 3.137 28.334 ( -5.344 -0.000 -10.603) 11.874 28.693 ( -3.399 -0.000 3.250) 4.703 28.729 ( 0.810 0.000 1.277) 1.512 28.800 ( -3.317 -0.000 3.402) 4.751 29.112 ( 4.427 0.000 9.023) 10.050 29.475 ( 17.151 0.000 -11.776) 20.805 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 9.458 2.832 -0.552) 9.888 2.145 ( 11.955 0.626 -8.032) 14.416 2.206 ( 0.014 3.583 -3.194) 4.800 2.270 ( -3.892 -1.041 2.014) 4.504 2.433 ( -1.557 1.613 3.647) 4.281 2.450 ( -1.409 -0.181 -3.106) 3.415 2.572 ( 2.442 0.548 5.138) 5.715 2.841 ( 2.071 2.260 15.125) 15.433 2.982 ( 1.161 -1.440 -6.661) 6.913 3.000 ( 1.288 3.056 3.888) 5.110 3.197 ( -0.268 1.125 1.729) 2.080 3.257 ( 4.956 -0.622 -0.025) 4.995 3.426 ( 4.673 -2.932 -4.587) 7.174 3.767 ( 4.383 0.731 -7.026) 8.313 3.889 ( -3.815 -0.495 -2.103) 4.385 4.269 ( -5.672 -2.164 -0.192) 6.074 4.341 ( -24.112 -2.157 2.681) 24.356 4.518 ( -3.574 0.203 3.508) 5.012 4.643 ( -1.664 1.000 3.959) 4.409 4.863 ( -1.258 -1.664 8.186) 8.448 4.931 ( -7.274 -0.503 7.721) 10.620 4.971 ( -0.628 1.113 -2.459) 2.772 5.013 ( -0.529 -1.986 -1.052) 2.308 5.395 ( 6.519 1.981 -12.473) 14.213 5.578 ( -1.503 0.569 2.331) 2.831 5.636 ( -9.282 -2.351 2.232) 9.832 5.768 ( -0.943 2.293 -8.099) 8.470 5.881 ( -5.861 -5.464 -4.023) 8.966 6.255 ( 0.506 -0.193 -0.159) 0.565 6.258 ( -0.948 -0.289 5.591) 5.678 6.867 ( 3.983 3.304 5.831) 7.796 7.133 ( 4.207 3.794 -12.099) 13.360 7.717 ( 1.751 0.339 0.794) 1.952 7.748 ( 0.056 -0.675 3.047) 3.122 7.880 ( 9.738 0.567 5.033) 10.976 7.946 ( 15.220 -0.915 -0.024) 15.247 8.757 ( 2.310 -0.299 -5.364) 5.848 9.312 ( 3.734 -2.249 1.304) 4.550 9.728 ( -12.459 0.932 8.873) 15.324 10.787 ( -7.000 -1.128 -8.521) 11.085 12.045 ( 1.213 -0.376 6.690) 6.809 12.445 ( 1.340 0.464 -4.989) 5.187 12.496 ( 4.510 -0.518 1.128) 4.678 12.622 ( 3.179 0.021 -1.646) 3.580 13.120 ( -12.363 -3.943 7.844) 15.162 13.364 ( -0.325 0.010 -0.608) 0.689 13.513 ( -0.869 0.482 4.034) 4.154 13.630 ( -7.309 -1.065 2.522) 7.805 14.038 ( -4.484 6.108 -6.745) 10.145 14.086 ( -0.573 0.234 -7.017) 7.045 14.743 ( 5.003 0.204 7.095) 8.684 15.134 ( 2.197 -0.585 -3.364) 4.060 15.453 ( 0.848 -2.139 5.483) 5.946 16.191 ( 2.779 1.428 -3.478) 4.675 16.284 ( -3.463 0.220 -3.106) 4.657 16.338 ( 1.233 -0.129 0.560) 1.360 18.385 ( 2.101 0.773 -1.114) 2.501 18.841 ( -2.696 -0.060 1.371) 3.025 24.277 ( -3.020 0.390 0.388) 3.070 24.569 ( -12.590 0.481 -1.077) 12.646 25.634 ( 1.030 -0.406 0.802) 1.367 25.963 ( 0.004 1.077 -3.306) 3.477 26.394 ( 3.686 -0.546 9.218) 9.943 26.559 ( 3.061 -0.192 2.142) 3.741 26.695 ( -0.425 -0.416 -0.329) 0.680 27.931 ( 0.177 -2.081 1.924) 2.840 28.153 ( -8.112 0.952 -12.460) 14.899 28.589 ( -5.512 5.713 3.386) 8.630 28.741 ( 0.381 0.132 -0.271) 0.486 28.821 ( -4.251 -6.572 2.963) 8.369 29.259 ( 5.506 -0.665 12.015) 13.233 29.632 ( 15.491 1.874 -15.233) 21.807 ======================= Grid point 221 (108/114) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -1.704 9.166 4.637) 10.412 2.066 ( -2.489 9.972 -2.213) 10.513 2.241 ( -2.146 1.928 0.820) 2.999 2.308 ( 5.534 -0.104 -4.562) 7.173 2.374 ( 1.444 2.375 -0.586) 2.841 2.461 ( 4.833 -1.346 -2.889) 5.790 2.656 ( 3.497 0.034 6.609) 7.477 2.811 ( -7.596 3.055 6.241) 10.294 2.935 ( -5.251 -0.944 0.265) 5.342 3.041 ( 2.577 2.384 5.803) 6.783 3.234 ( 5.964 1.854 -0.525) 6.268 3.332 ( 4.008 0.567 -3.275) 5.207 3.535 ( 9.395 -2.411 -5.613) 11.206 3.680 ( -18.844 1.237 -2.195) 19.012 3.776 ( -5.951 1.872 -0.702) 6.278 4.026 ( -12.711 -2.453 5.565) 14.091 4.272 ( -3.658 -3.184 -0.001) 4.849 4.494 ( -2.268 -1.439 -4.388) 5.145 4.607 ( -2.450 1.415 3.498) 4.498 4.796 ( -10.232 0.395 4.086) 11.025 4.848 ( -9.696 -2.598 1.734) 10.187 4.937 ( -0.664 -4.628 -2.213) 5.173 5.101 ( 4.226 1.536 7.710) 8.925 5.317 ( 1.101 3.153 -9.991) 10.534 5.558 ( -2.805 -1.107 0.432) 3.046 5.640 ( 3.202 -1.922 -0.256) 3.743 5.694 ( -2.160 -0.691 -5.091) 5.574 5.880 ( -5.477 -8.683 0.891) 10.305 6.273 ( 1.006 0.525 1.822) 2.146 6.285 ( 0.424 -0.464 2.246) 2.332 6.908 ( 2.434 4.743 7.399) 9.120 7.056 ( 3.240 6.960 -11.539) 13.859 7.753 ( 1.606 -2.530 1.740) 3.465 7.790 ( 1.485 -1.798 2.424) 3.364 8.092 ( 14.287 2.051 5.037) 15.287 8.181 ( 15.066 0.888 -0.930) 15.121 8.788 ( 6.553 -0.925 -8.952) 11.133 9.266 ( -14.273 2.216 12.398) 19.036 9.754 ( 7.344 -6.134 0.610) 9.588 10.602 ( -12.231 -2.022 -9.865) 15.843 12.120 ( 1.230 0.489 11.079) 11.158 12.411 ( -0.501 0.698 -6.625) 6.680 12.585 ( 6.335 0.647 1.300) 6.500 12.702 ( 8.851 -2.680 -5.473) 10.746 13.048 ( -11.503 -6.437 7.218) 15.029 13.310 ( -5.871 1.208 -2.813) 6.621 13.545 ( -0.024 -1.056 3.969) 4.107 13.578 ( -1.388 -1.366 6.073) 6.378 13.846 ( -4.736 5.413 -6.420) 9.641 14.036 ( -1.301 -0.958 -9.089) 9.232 14.871 ( 5.353 0.903 10.170) 11.528 15.146 ( 1.832 -0.307 -5.480) 5.786 15.536 ( 2.544 -1.498 6.466) 7.108 16.170 ( -7.780 0.755 -5.187) 9.381 16.198 ( 2.808 1.894 -2.038) 3.953 16.338 ( -0.852 0.861 0.131) 1.218 18.423 ( 5.760 0.850 -2.965) 6.533 18.792 ( -5.563 0.062 2.781) 6.220 24.209 ( -5.381 0.988 1.527) 5.680 24.367 ( -11.212 0.187 -4.210) 11.978 25.678 ( 3.259 -0.717 0.454) 3.368 25.916 ( -1.514 0.617 -3.978) 4.301 26.515 ( 3.693 -2.286 5.401) 6.931 26.664 ( 2.862 0.541 4.941) 5.736 26.720 ( 5.479 -1.383 7.730) 9.575 27.889 ( -12.276 -3.321 -9.940) 16.141 28.039 ( 4.159 -0.665 -2.978) 5.159 28.459 ( -6.914 3.407 2.713) 8.171 28.746 ( 0.713 -0.203 -0.484) 0.886 28.836 ( -4.556 -4.585 2.445) 6.911 29.401 ( 4.296 2.581 14.480) 15.323 29.702 ( 11.558 4.432 -18.313) 22.104 ======================= Grid point 222 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -5.283 10.836 8.546) 14.777 1.886 ( -0.871 11.012 -6.531) 12.833 2.116 ( -3.292 10.088 2.418) 10.883 2.208 ( -4.881 8.182 -4.646) 10.599 2.467 ( 8.086 -0.223 -0.290) 8.094 2.576 ( 5.530 -3.377 -0.795) 6.528 2.722 ( -3.417 -1.345 7.604) 8.444 2.741 ( 0.124 0.759 -0.194) 0.794 2.855 ( -3.800 -0.362 -1.520) 4.109 3.039 ( -5.031 0.940 3.221) 6.048 3.235 ( -7.700 3.744 -4.161) 9.519 3.271 ( -2.499 2.634 -0.127) 3.633 3.394 ( -2.002 3.932 1.658) 4.714 3.612 ( -5.770 3.536 -1.486) 6.928 3.751 ( 10.568 0.631 2.515) 10.882 4.001 ( -2.054 -2.418 0.130) 3.175 4.208 ( -4.483 2.730 2.268) 5.718 4.382 ( -5.437 3.380 -10.871) 12.616 4.633 ( -1.208 -7.569 4.567) 8.923 4.702 ( -6.554 -5.003 3.165) 8.832 4.832 ( -2.929 -4.886 5.813) 8.139 4.922 ( -2.476 -1.530 -5.586) 6.299 5.202 ( 5.310 0.078 4.443) 6.924 5.270 ( 2.724 1.924 -6.874) 7.640 5.580 ( 3.664 -1.078 -1.533) 4.115 5.672 ( -2.390 -4.170 -1.081) 4.927 5.713 ( 4.745 -3.607 -2.767) 6.572 5.899 ( -9.578 -9.301 6.139) 14.695 6.283 ( -1.779 1.243 7.259) 7.576 6.296 ( 2.125 0.580 -5.189) 5.637 6.904 ( -1.079 6.030 8.818) 10.737 6.946 ( 3.106 7.989 -10.741) 13.742 7.838 ( 2.919 -4.118 -0.040) 5.048 7.854 ( 0.665 -3.114 3.274) 4.567 8.265 ( 9.510 3.617 3.010) 10.611 8.326 ( 7.551 2.537 -1.560) 8.117 8.869 ( 10.247 -1.194 -11.556) 15.491 9.091 ( -14.345 1.664 13.400) 19.701 9.988 ( 10.735 -7.555 1.398) 13.202 10.392 ( -13.020 -3.677 -7.181) 15.317 12.188 ( 0.995 1.102 10.840) 10.941 12.342 ( -1.688 0.846 -8.049) 8.267 12.694 ( 9.677 0.289 -1.408) 9.783 12.861 ( 8.967 -4.305 -2.976) 10.383 12.995 ( -10.694 -4.812 5.921) 13.136 13.154 ( -9.298 0.294 -3.685) 10.006 13.573 ( 0.868 -0.695 4.049) 4.199 13.672 ( 3.455 1.189 -0.790) 3.738 13.741 ( -0.306 -2.463 2.632) 3.617 13.966 ( -3.918 -1.913 -7.301) 8.504 14.986 ( 3.530 0.564 9.666) 10.306 15.127 ( 0.450 0.218 -7.401) 7.418 15.638 ( 5.280 -0.056 6.338) 8.249 15.981 ( -11.015 1.410 -5.966) 12.606 16.212 ( 3.521 2.230 -1.420) 4.403 16.297 ( -2.506 1.910 0.390) 3.175 18.499 ( 8.221 0.617 -3.963) 9.147 18.708 ( -7.913 0.308 3.759) 8.766 24.132 ( -3.919 1.345 2.213) 4.698 24.201 ( -6.954 0.653 -4.206) 8.153 25.746 ( 4.018 -0.939 0.614) 4.171 25.865 ( -2.334 -0.157 -2.755) 3.614 26.610 ( 2.292 -2.521 2.378) 4.155 26.672 ( -0.669 -0.874 -0.825) 1.376 26.989 ( 14.364 -2.917 17.494) 22.823 27.650 ( -15.899 -4.871 -13.790) 21.603 28.134 ( 7.135 -1.503 -1.453) 7.435 28.343 ( -7.403 0.629 2.237) 7.759 28.764 ( 1.493 -0.787 -0.679) 1.820 28.826 ( -4.071 -2.786 1.903) 5.288 29.482 ( 1.893 6.916 16.660) 18.137 29.653 ( 6.112 7.698 -19.906) 22.201 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 3.384 10.683 -12.315) 16.650 1.719 ( -3.384 10.683 12.315) 16.650 1.996 ( 0.624 11.374 -10.242) 15.318 1.996 ( -0.624 11.374 10.242) 15.318 2.586 ( -7.322 0.209 1.467) 7.471 2.586 ( 7.322 0.209 -1.467) 7.471 2.721 ( 1.918 -1.052 -4.205) 4.740 2.721 ( -1.918 -1.052 4.205) 4.740 2.921 ( -5.797 -1.929 -6.324) 8.793 2.921 ( 5.797 -1.929 6.324) 8.793 3.166 ( 0.243 4.108 -7.171) 8.268 3.166 ( -0.243 4.108 7.171) 8.268 3.399 ( -5.383 8.988 -4.371) 11.352 3.399 ( 5.383 8.988 4.371) 11.352 3.937 ( -10.316 -1.786 1.534) 10.581 3.937 ( 10.316 -1.786 -1.534) 10.581 4.196 ( 0.455 3.768 -13.411) 13.937 4.196 ( -0.455 3.768 13.411) 13.937 4.746 ( 0.173 -6.636 -4.785) 8.183 4.746 ( -0.173 -6.636 4.785) 8.183 4.890 ( -0.261 -3.785 -0.572) 3.837 4.890 ( 0.261 -3.785 0.572) 3.837 5.265 ( 2.595 -1.178 -7.160) 7.706 5.265 ( -2.595 -1.178 7.160) 7.706 5.663 ( -3.449 -2.512 -0.035) 4.267 5.663 ( 3.449 -2.512 0.035) 4.267 5.877 ( 9.932 -8.071 -4.788) 13.664 5.877 ( -9.932 -8.071 4.788) 13.664 6.277 ( 5.149 1.656 -13.743) 14.769 6.277 ( -5.149 1.656 13.743) 14.769 6.847 ( 2.074 6.982 -7.609) 10.533 6.847 ( -2.074 6.982 7.609) 10.533 7.907 ( 3.451 -3.354 -7.928) 9.274 7.907 ( -3.451 -3.354 7.928) 9.274 8.320 ( -2.173 3.622 -1.316) 4.425 8.320 ( 2.173 3.622 1.316) 4.425 8.971 ( 10.887 -0.257 -13.120) 17.050 8.971 ( -10.887 -0.257 13.120) 17.050 10.239 ( -7.613 -5.627 -5.125) 10.765 10.239 ( 7.613 -5.627 5.125) 10.765 12.257 ( -0.971 0.388 -10.563) 10.615 12.257 ( 0.971 0.388 10.563) 10.615 12.857 ( -7.135 -0.775 -0.349) 7.185 12.857 ( 7.135 -0.775 0.349) 7.185 13.035 ( -3.580 -3.077 -2.295) 5.249 13.035 ( 3.580 -3.077 2.295) 5.249 13.626 ( -1.761 -0.095 -4.076) 4.441 13.626 ( 1.761 -0.095 4.076) 4.441 13.886 ( -4.835 -3.313 -5.835) 8.271 13.886 ( 4.835 -3.313 5.835) 8.271 15.074 ( -1.316 -0.537 -8.455) 8.574 15.074 ( 1.316 -0.537 8.455) 8.574 15.772 ( -9.006 1.186 -5.708) 10.728 15.772 ( 9.006 1.186 5.708) 10.728 16.229 ( 0.793 2.641 -2.361) 3.630 16.229 ( -0.793 2.641 2.361) 3.630 18.599 ( 6.883 0.378 -3.914) 7.927 18.599 ( -6.883 0.378 3.914) 7.927 24.107 ( -0.966 1.239 -3.409) 3.754 24.107 ( 0.966 1.239 3.409) 3.754 25.817 ( -3.262 -0.762 -1.246) 3.574 25.817 ( 3.262 -0.762 1.246) 3.574 26.668 ( -0.658 -1.527 -1.724) 2.395 26.668 ( 0.658 -1.527 1.724) 2.395 27.381 ( -17.536 -6.182 -15.249) 24.047 27.381 ( 17.536 -6.182 15.249) 24.047 28.253 ( 0.672 -1.964 -2.583) 3.314 28.253 ( -0.672 -1.964 2.583) 3.314 28.806 ( 1.784 -1.586 -1.218) 2.680 28.806 ( -1.784 -1.586 1.218) 2.680 29.484 ( 1.501 11.077 -18.647) 21.741 29.484 ( -1.501 11.077 18.647) 21.741 ======================= Grid point 229 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 1.800 0.000 -0.538) 1.879 2.205 ( -4.773 -0.000 3.289) 5.797 2.250 ( 7.862 0.000 -0.867) 7.909 2.275 ( 7.394 0.000 -2.717) 7.878 2.400 ( -2.151 -0.000 -1.147) 2.438 2.444 ( 2.043 0.000 0.817) 2.200 2.658 ( 1.678 0.000 5.840) 6.077 2.872 ( -6.820 -0.000 -5.868) 8.997 2.913 ( -6.086 -0.000 13.061) 14.410 3.082 ( 1.729 0.000 5.710) 5.966 3.200 ( 2.329 0.000 -3.317) 4.054 3.373 ( 11.016 0.000 -3.308) 11.502 3.493 ( 8.249 0.000 -4.290) 9.298 3.678 ( -26.954 -0.000 -3.731) 27.211 3.806 ( 5.594 0.000 -3.893) 6.816 3.994 ( -15.327 -0.000 7.072) 16.880 4.221 ( -1.771 -0.000 1.590) 2.381 4.473 ( -1.338 -0.000 -0.634) 1.481 4.664 ( -0.612 -0.000 -0.024) 0.613 4.808 ( -5.249 -0.000 -16.869) 17.667 4.813 ( -14.444 -0.000 13.199) 19.566 4.864 ( -6.504 -0.000 7.669) 10.056 5.109 ( 5.065 0.000 10.557) 11.709 5.352 ( -0.835 -0.000 -11.075) 11.106 5.557 ( -2.232 -0.000 1.629) 2.763 5.609 ( 2.910 0.000 0.405) 2.938 5.715 ( -7.584 -0.000 -0.718) 7.618 5.746 ( -0.142 -0.000 -8.665) 8.666 6.270 ( 5.624 0.000 -8.735) 10.389 6.288 ( -3.315 -0.000 13.418) 13.822 6.982 ( 2.410 0.000 9.217) 9.527 7.132 ( 4.055 0.000 -14.487) 15.043 7.723 ( -0.940 -0.000 3.330) 3.460 7.769 ( 1.443 0.000 0.904) 1.703 8.120 ( 14.375 0.000 6.193) 15.652 8.188 ( 16.468 0.000 -1.211) 16.512 8.777 ( 6.721 0.000 -9.832) 11.910 9.287 ( -12.789 -0.000 12.952) 18.202 9.681 ( 3.472 0.000 3.150) 4.688 10.576 ( -11.988 -0.000 -11.641) 16.710 12.128 ( 2.429 0.000 11.349) 11.606 12.423 ( 0.484 0.000 -7.936) 7.950 12.592 ( 7.166 0.000 1.834) 7.397 12.662 ( 4.952 0.000 -4.619) 6.772 12.972 ( -10.142 -0.000 7.694) 12.730 13.328 ( -5.235 -0.000 -2.602) 5.846 13.538 ( -4.254 -0.000 4.002) 5.841 13.551 ( 1.366 0.000 7.516) 7.639 13.933 ( -8.214 -0.000 -6.839) 10.688 14.011 ( -1.136 -0.000 -11.721) 11.776 14.885 ( 5.093 0.000 11.724) 12.782 15.140 ( 2.156 0.000 -4.924) 5.375 15.518 ( 4.479 0.000 5.979) 7.470 16.179 ( -7.733 -0.000 -5.002) 9.210 16.222 ( 2.781 0.000 -2.478) 3.725 16.347 ( -0.354 -0.000 0.145) 0.383 18.435 ( 5.557 0.000 -2.964) 6.298 18.793 ( -5.428 -0.000 2.793) 6.105 24.222 ( -5.040 -0.000 1.271) 5.198 24.371 ( -11.547 -0.000 -3.221) 11.988 25.669 ( 3.144 0.000 0.805) 3.245 25.924 ( -2.215 -0.000 -4.446) 4.967 26.488 ( 3.458 0.000 4.966) 6.051 26.678 ( -0.939 -0.000 -0.996) 1.369 26.695 ( 8.569 0.000 13.954) 16.376 27.845 ( -11.279 -0.000 -9.837) 14.966 28.034 ( 3.075 0.000 -4.800) 5.700 28.516 ( -10.400 -0.000 3.560) 10.992 28.753 ( 0.008 0.000 0.795) 0.795 28.758 ( -0.305 -0.000 -0.137) 0.335 29.429 ( 5.621 0.000 16.320) 17.261 29.753 ( 11.986 0.000 -18.472) 22.020 ======================= Grid point 230 (112/114) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.754 6.531 -0.908) 6.637 2.104 ( -4.296 6.846 1.329) 8.191 2.300 ( 1.517 5.495 2.084) 6.070 2.355 ( 1.224 3.564 -3.441) 5.103 2.431 ( 5.334 -3.158 5.162) 8.067 2.521 ( 6.223 -1.559 -0.956) 6.486 2.679 ( -0.548 -1.232 2.626) 2.952 2.775 ( -0.702 1.714 -2.786) 3.345 2.852 ( -8.794 0.260 7.118) 11.316 3.050 ( -13.377 0.993 -2.421) 13.631 3.233 ( -0.072 -3.267 -3.969) 5.141 3.253 ( -14.592 -2.847 2.057) 15.009 3.501 ( 8.447 4.699 0.767) 9.697 3.600 ( 5.831 -2.357 -4.070) 7.491 3.843 ( 1.536 4.617 2.205) 5.342 3.933 ( -1.162 -3.255 0.619) 3.511 4.230 ( 0.176 -0.800 5.292) 5.355 4.454 ( 0.947 2.386 -7.621) 8.042 4.579 ( -6.755 2.174 0.681) 7.129 4.616 ( -10.340 -1.658 -3.617) 11.079 4.752 ( -2.786 -2.130 7.473) 8.255 4.842 ( -3.119 -3.695 -1.860) 5.181 5.226 ( 2.815 0.813 9.650) 10.085 5.302 ( 1.788 0.569 -8.062) 8.277 5.566 ( 1.564 -0.061 2.322) 2.800 5.618 ( -2.567 -0.077 -0.948) 2.738 5.647 ( 1.136 -1.940 -3.522) 4.178 5.715 ( -4.851 -5.554 -1.417) 7.509 6.302 ( 6.515 0.224 -12.568) 14.158 6.308 ( -4.637 0.527 14.893) 15.607 7.029 ( -0.089 3.932 9.311) 10.108 7.093 ( 3.284 3.234 -12.396) 13.225 7.755 ( 0.472 -2.219 4.646) 5.170 7.795 ( 1.096 -1.580 -1.412) 2.385 8.325 ( 9.321 1.444 4.479) 10.441 8.369 ( 8.939 0.988 -1.794) 9.171 8.848 ( 11.424 -0.465 -13.326) 17.558 9.121 ( -17.810 0.746 15.937) 23.911 9.848 ( 11.464 -3.564 4.180) 12.712 10.324 ( -13.747 -1.686 -10.627) 17.457 12.220 ( 1.289 1.149 12.355) 12.475 12.368 ( -0.307 0.974 -9.550) 9.604 12.695 ( 6.500 0.370 -1.752) 6.742 12.746 ( 5.200 -4.285 -1.694) 6.948 12.916 ( -3.913 -1.631 6.773) 7.990 13.174 ( -10.923 0.683 -3.432) 11.470 13.561 ( 2.698 -0.193 3.888) 4.736 13.650 ( 4.250 -1.406 9.719) 10.701 13.767 ( -6.465 2.315 -5.914) 9.062 13.918 ( -3.998 -1.829 -11.158) 11.993 15.007 ( 2.808 0.708 11.217) 11.585 15.132 ( 1.284 0.161 -7.397) 7.509 15.641 ( 7.231 0.167 6.601) 9.792 16.005 ( -10.506 0.561 -6.275) 12.250 16.250 ( 3.123 0.890 -1.257) 3.483 16.326 ( -1.974 0.615 0.042) 2.068 18.514 ( 8.033 0.441 -4.095) 9.028 18.714 ( -7.636 0.136 3.852) 8.554 24.157 ( -3.769 0.678 1.972) 4.308 24.214 ( -6.520 0.331 -3.293) 7.312 25.730 ( 3.904 -0.360 1.184) 4.095 25.862 ( -2.962 -0.085 -3.383) 4.497 26.564 ( 3.119 -1.112 2.567) 4.190 26.655 ( -1.481 -0.423 -1.372) 2.063 26.948 ( 12.056 -0.803 18.332) 21.956 27.572 ( -14.970 -1.753 -16.124) 22.071 28.113 ( 7.801 -0.389 -1.519) 7.957 28.369 ( -10.204 0.975 2.610) 10.578 28.752 ( 0.559 -0.085 -0.260) 0.623 28.770 ( -1.076 -1.731 0.650) 2.139 29.585 ( 2.832 2.084 18.815) 19.141 29.768 ( 6.789 2.335 -20.351) 21.580 ======================= Grid point 231 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.248 10.172 -5.727) 11.740 1.977 ( -1.248 10.172 5.727) 11.740 2.241 ( 0.560 9.213 -6.077) 11.051 2.241 ( -0.560 9.213 6.077) 11.051 2.566 ( -4.509 -1.606 -0.898) 4.870 2.566 ( 4.509 -1.606 0.898) 4.870 2.739 ( 1.819 1.829 -5.527) 6.099 2.739 ( -1.819 1.829 5.527) 6.099 2.826 ( -6.862 -4.674 -4.100) 9.260 2.826 ( 6.862 -4.674 4.100) 9.260 3.237 ( 0.210 -0.275 -6.827) 6.836 3.237 ( -0.210 -0.275 6.827) 6.836 3.561 ( -2.440 4.633 -5.748) 7.775 3.561 ( 2.440 4.633 5.748) 7.775 3.899 ( -7.750 -0.968 -0.053) 7.810 3.899 ( 7.750 -0.968 0.053) 7.810 4.300 ( -1.570 4.618 -13.628) 14.475 4.300 ( 1.570 4.618 13.628) 14.475 4.563 ( 0.073 -5.373 -3.565) 6.449 4.563 ( -0.073 -5.373 3.565) 6.449 4.823 ( -1.493 -3.386 -6.282) 7.291 4.823 ( 1.493 -3.386 6.282) 7.291 5.276 ( 1.565 1.160 -8.322) 8.547 5.276 ( -1.565 1.160 8.322) 8.547 5.608 ( 1.369 -1.566 -3.800) 4.332 5.608 ( -1.369 -1.566 3.800) 4.332 5.711 ( 6.104 -6.055 -4.476) 9.693 5.711 ( -6.104 -6.055 4.476) 9.693 6.307 ( 5.845 0.951 -15.127) 16.245 6.307 ( -5.845 0.951 15.127) 16.245 7.009 ( 2.812 6.181 -11.575) 13.420 7.009 ( -2.812 6.181 11.575) 13.420 7.821 ( 1.795 -3.517 -5.970) 7.157 7.821 ( -1.795 -3.517 5.970) 7.157 8.397 ( -0.756 2.578 -2.465) 3.646 8.397 ( 0.756 2.578 2.465) 3.646 8.965 ( 14.105 -0.162 -14.882) 20.505 8.965 ( -14.105 -0.162 14.882) 20.505 10.111 ( -11.920 -4.622 -7.152) 14.649 10.111 ( 11.920 -4.622 7.152) 14.649 12.284 ( -0.464 1.666 -11.234) 11.366 12.284 ( 0.464 1.666 11.234) 11.366 12.795 ( 6.021 -3.726 -4.681) 8.488 12.795 ( -6.021 -3.726 4.681) 8.488 12.997 ( -7.089 -0.373 -4.360) 8.331 12.997 ( 7.089 -0.373 4.360) 8.331 13.636 ( -4.043 0.908 -5.050) 6.532 13.636 ( 4.043 0.908 5.050) 6.532 13.811 ( -5.987 -2.848 -9.061) 11.227 13.811 ( 5.987 -2.848 9.061) 11.227 15.082 ( -0.815 0.778 -9.361) 9.428 15.082 ( 0.815 0.778 9.361) 9.428 15.801 ( -9.944 1.038 -6.664) 12.016 15.801 ( 9.944 1.038 6.664) 12.016 16.278 ( -0.841 1.457 -0.911) 1.913 16.278 ( 0.841 1.457 0.911) 1.913 18.611 ( 8.432 0.475 -4.245) 9.452 18.611 ( -8.432 0.475 4.245) 9.452 24.135 ( -0.710 1.011 -2.802) 3.062 24.135 ( 0.710 1.011 2.802) 3.062 25.801 ( -3.600 -0.543 -1.933) 4.122 25.801 ( 3.600 -0.543 1.933) 4.122 26.631 ( -1.940 -1.393 -1.777) 2.977 26.631 ( 1.940 -1.393 1.777) 2.977 27.277 ( -15.063 -2.880 -17.876) 23.553 27.277 ( 15.063 -2.880 17.876) 23.553 28.234 ( -5.167 -0.140 -0.099) 5.169 28.234 ( 5.167 -0.140 0.099) 5.169 28.771 ( 0.813 -1.230 -0.815) 1.684 28.771 ( -0.813 -1.230 0.815) 1.684 29.668 ( 1.535 4.962 -20.292) 20.946 29.668 ( -1.535 4.962 20.292) 20.946 ======================= Grid point 240 (114/114) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.98e-04 5.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 2.038 -0.000 -2.077) 2.910 2.115 ( -2.038 -0.000 2.077) 2.910 2.369 ( -0.411 -0.000 -3.450) 3.474 2.369 ( 0.411 -0.000 3.450) 3.474 2.538 ( -4.787 -0.000 -1.540) 5.028 2.538 ( 4.787 -0.000 1.540) 5.028 2.731 ( -9.426 -0.000 0.230) 9.428 2.731 ( 9.426 -0.000 -0.230) 9.428 2.801 ( -6.282 -0.000 -0.570) 6.307 2.801 ( 6.282 -0.000 0.570) 6.307 3.195 ( 3.022 -0.000 -9.237) 9.719 3.195 ( -3.022 -0.000 9.237) 9.719 3.618 ( 1.196 0.000 -4.183) 4.351 3.618 ( -1.196 -0.000 4.183) 4.351 3.890 ( 2.410 -0.000 -1.010) 2.613 3.890 ( -2.410 -0.000 1.010) 2.613 4.349 ( -8.096 -0.000 -12.440) 14.843 4.349 ( 8.096 -0.000 12.440) 14.843 4.533 ( 5.122 -0.000 -4.271) 6.669 4.533 ( -5.122 -0.000 4.271) 6.669 4.765 ( -2.084 -0.000 -2.369) 3.156 4.765 ( 2.084 0.000 2.369) 3.156 5.290 ( 1.713 -0.000 -8.520) 8.690 5.290 ( -1.713 -0.000 8.520) 8.690 5.604 ( -1.335 -0.000 -5.991) 6.138 5.604 ( 1.335 -0.000 5.991) 6.138 5.619 ( -0.573 -0.000 -3.015) 3.069 5.619 ( 0.573 0.000 3.015) 3.069 6.319 ( 6.198 -0.000 -15.387) 16.589 6.319 ( -6.198 -0.000 15.387) 16.589 7.090 ( 3.088 -0.000 -12.354) 12.735 7.090 ( -3.088 -0.000 12.354) 12.735 7.773 ( -0.045 -0.000 -4.442) 4.442 7.773 ( 0.045 -0.000 4.442) 4.442 8.429 ( -0.267 -0.000 -2.918) 2.930 8.429 ( 0.267 -0.000 2.918) 2.930 8.963 ( 15.753 -0.000 -16.032) 22.476 8.963 ( -15.753 -0.000 16.032) 22.476 10.053 ( -13.487 -0.000 -8.441) 15.910 10.053 ( 13.487 -0.000 8.441) 15.910 12.310 ( -0.286 -0.000 -11.937) 11.940 12.310 ( 0.286 -0.000 11.937) 11.940 12.741 ( 3.313 -0.000 -5.443) 6.372 12.741 ( -3.313 -0.000 5.443) 6.372 12.996 ( -9.394 -0.000 -4.102) 10.251 12.996 ( 9.394 -0.000 4.102) 10.251 13.653 ( -6.090 -0.000 -3.855) 7.208 13.653 ( 6.090 -0.000 3.855) 7.208 13.772 ( -4.656 -0.000 -11.836) 12.719 13.772 ( 4.656 -0.000 11.836) 12.719 15.094 ( -0.274 -0.000 -9.767) 9.770 15.094 ( 0.274 -0.000 9.767) 9.770 15.814 ( -10.161 -0.000 -6.830) 12.243 15.814 ( 10.161 -0.000 6.830) 12.243 16.295 ( -2.839 -0.000 0.391) 2.866 16.295 ( 2.839 -0.000 -0.391) 2.866 18.617 ( 8.609 -0.000 -4.380) 9.659 18.617 ( -8.609 -0.000 4.380) 9.659 24.148 ( -0.579 -0.000 -2.540) 2.605 24.148 ( 0.579 -0.000 2.540) 2.605 25.795 ( -3.672 -0.000 -2.237) 4.299 25.795 ( 3.672 -0.000 2.237) 4.299 26.613 ( -2.451 -0.000 -1.920) 3.114 26.613 ( 2.451 -0.000 1.920) 3.114 27.244 ( -14.120 -0.000 -18.556) 23.318 27.244 ( 14.120 -0.000 18.556) 23.318 28.234 ( -9.889 -0.000 1.980) 10.086 28.234 ( 9.889 -0.000 -1.980) 10.086 28.756 ( 0.230 -0.000 -0.575) 0.619 28.756 ( -0.230 -0.000 0.575) 0.619 29.724 ( 1.467 -0.000 -20.560) 20.612 29.724 ( -1.467 -0.000 20.560) 20.612 =================== 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 3/27648 10.0 1161.423 1219.475 773.667 -0.000 26.726 -0.000 3/27648 20.0 209.468 191.928 153.544 -0.000 -26.994 -0.000 3/27648 30.0 76.557 68.899 58.791 -0.000 -10.985 -0.000 3/27648 40.0 39.830 34.949 30.889 -0.000 -5.745 -0.000 3/27648 50.0 25.400 21.729 19.746 -0.000 -3.664 -0.000 3/27648 60.0 18.313 15.316 14.245 -0.000 -2.646 -0.000 3/27648 70.0 14.258 11.699 11.093 -0.000 -2.066 -0.000 3/27648 80.0 11.677 9.431 9.086 -0.000 -1.698 -0.000 3/27648 90.0 9.904 7.894 7.708 -0.000 -1.446 -0.000 3/27648 100.0 8.615 6.792 6.705 -0.000 -1.263 -0.000 3/27648 110.0 7.636 5.964 5.944 -0.000 -1.124 -0.000 3/27648 120.0 6.868 5.321 5.347 -0.000 -1.014 -0.000 3/27648 130.0 6.248 4.807 4.866 -0.000 -0.925 -0.000 3/27648 140.0 5.737 4.388 4.469 -0.000 -0.850 -0.000 3/27648 150.0 5.308 4.038 4.137 -0.000 -0.788 -0.000 3/27648 160.0 4.943 3.742 3.854 -0.000 -0.733 0.000 3/27648 170.0 4.628 3.489 3.611 -0.000 -0.686 0.000 3/27648 180.0 4.354 3.270 3.399 -0.000 -0.645 0.000 3/27648 190.0 4.113 3.077 3.213 -0.000 -0.608 0.000 3/27648 200.0 3.899 2.908 3.049 -0.000 -0.574 0.000 3/27648 210.0 3.708 2.757 2.902 -0.000 -0.544 0.000 3/27648 220.0 3.537 2.622 2.771 -0.000 -0.517 0.000 3/27648 230.0 3.382 2.501 2.652 -0.000 -0.492 0.000 3/27648 240.0 3.241 2.391 2.545 -0.000 -0.469 0.000 3/27648 250.0 3.113 2.291 2.447 -0.000 -0.448 0.000 3/27648 260.0 2.995 2.199 2.357 -0.000 -0.429 0.000 3/27648 270.0 2.887 2.115 2.275 -0.000 -0.411 0.000 3/27648 280.0 2.787 2.038 2.199 -0.000 -0.394 0.000 3/27648 290.0 2.694 1.967 2.128 -0.000 -0.379 0.000 3/27648 300.0 2.608 1.900 2.063 -0.000 -0.365 0.000 3/27648 310.0 2.528 1.839 2.002 -0.000 -0.351 0.000 3/27648 320.0 2.453 1.781 1.945 -0.000 -0.338 0.000 3/27648 330.0 2.382 1.728 1.892 -0.000 -0.327 0.000 3/27648 340.0 2.316 1.677 1.841 -0.000 -0.316 0.000 3/27648 350.0 2.254 1.630 1.794 -0.000 -0.305 0.000 3/27648 360.0 2.195 1.585 1.749 -0.000 -0.295 0.000 3/27648 370.0 2.139 1.543 1.707 -0.000 -0.286 0.000 3/27648 380.0 2.087 1.503 1.667 -0.000 -0.277 0.000 3/27648 390.0 2.037 1.466 1.629 -0.000 -0.269 0.000 3/27648 400.0 1.989 1.430 1.593 -0.000 -0.261 0.000 3/27648 410.0 1.944 1.396 1.558 -0.000 -0.254 0.000 3/27648 420.0 1.901 1.364 1.525 -0.000 -0.247 0.000 3/27648 430.0 1.860 1.333 1.494 -0.000 -0.240 0.000 3/27648 440.0 1.820 1.304 1.464 -0.000 -0.234 0.000 3/27648 450.0 1.783 1.276 1.435 -0.000 -0.228 0.000 3/27648 460.0 1.746 1.249 1.407 -0.000 -0.222 0.000 3/27648 470.0 1.712 1.223 1.380 -0.000 -0.217 0.000 3/27648 480.0 1.679 1.198 1.355 -0.000 -0.211 0.000 3/27648 490.0 1.647 1.175 1.330 -0.000 -0.206 0.000 3/27648 500.0 1.616 1.152 1.306 -0.000 -0.202 0.000 3/27648 510.0 1.586 1.130 1.283 -0.000 -0.197 0.000 3/27648 520.0 1.558 1.109 1.261 -0.000 -0.193 0.000 3/27648 530.0 1.531 1.089 1.240 -0.000 -0.189 0.000 3/27648 540.0 1.504 1.070 1.219 -0.000 -0.185 0.000 3/27648 550.0 1.478 1.051 1.199 -0.000 -0.181 0.000 3/27648 560.0 1.454 1.033 1.180 -0.000 -0.177 0.000 3/27648 570.0 1.430 1.015 1.161 -0.000 -0.174 0.000 3/27648 580.0 1.407 0.999 1.143 -0.000 -0.170 0.000 3/27648 590.0 1.384 0.982 1.126 -0.000 -0.167 0.000 3/27648 600.0 1.363 0.966 1.109 -0.000 -0.164 0.000 3/27648 610.0 1.342 0.951 1.092 -0.000 -0.161 0.000 3/27648 620.0 1.321 0.936 1.076 -0.000 -0.158 0.000 3/27648 630.0 1.302 0.922 1.061 -0.000 -0.155 0.000 3/27648 640.0 1.282 0.908 1.046 -0.000 -0.152 0.000 3/27648 650.0 1.264 0.895 1.031 -0.000 -0.150 0.000 3/27648 660.0 1.246 0.881 1.017 -0.000 -0.147 0.000 3/27648 670.0 1.228 0.869 1.003 -0.000 -0.145 0.000 3/27648 680.0 1.211 0.856 0.989 -0.000 -0.142 0.000 3/27648 690.0 1.195 0.844 0.976 -0.000 -0.140 0.000 3/27648 700.0 1.178 0.833 0.963 -0.000 -0.138 0.000 3/27648 710.0 1.163 0.821 0.951 -0.000 -0.136 0.000 3/27648 720.0 1.147 0.810 0.939 -0.000 -0.133 0.000 3/27648 730.0 1.132 0.799 0.927 -0.000 -0.131 0.000 3/27648 740.0 1.118 0.789 0.915 -0.000 -0.129 0.000 3/27648 750.0 1.104 0.779 0.904 -0.000 -0.128 0.000 3/27648 760.0 1.090 0.769 0.893 -0.000 -0.126 0.000 3/27648 770.0 1.076 0.759 0.882 -0.000 -0.124 0.000 3/27648 780.0 1.063 0.750 0.872 -0.000 -0.122 0.000 3/27648 790.0 1.050 0.740 0.861 -0.000 -0.121 0.000 3/27648 800.0 1.038 0.731 0.851 -0.000 -0.119 0.000 3/27648 810.0 1.026 0.723 0.842 -0.000 -0.117 0.000 3/27648 820.0 1.014 0.714 0.832 -0.000 -0.116 0.000 3/27648 830.0 1.002 0.706 0.823 -0.000 -0.114 0.000 3/27648 840.0 0.991 0.698 0.813 -0.000 -0.113 0.000 3/27648 850.0 0.979 0.690 0.804 -0.000 -0.111 0.000 3/27648 860.0 0.968 0.682 0.796 -0.000 -0.110 0.000 3/27648 870.0 0.958 0.674 0.787 -0.000 -0.108 0.000 3/27648 880.0 0.947 0.667 0.779 -0.000 -0.107 0.000 3/27648 890.0 0.937 0.659 0.770 -0.000 -0.106 0.000 3/27648 900.0 0.927 0.652 0.762 -0.000 -0.105 0.000 3/27648 910.0 0.917 0.645 0.755 -0.000 -0.103 0.000 3/27648 920.0 0.908 0.638 0.747 -0.000 -0.102 0.000 3/27648 930.0 0.898 0.632 0.739 -0.000 -0.101 0.000 3/27648 940.0 0.889 0.625 0.732 -0.000 -0.100 0.000 3/27648 950.0 0.880 0.619 0.724 -0.000 -0.099 0.000 3/27648 960.0 0.871 0.612 0.717 -0.000 -0.098 0.000 3/27648 970.0 0.863 0.606 0.710 -0.000 -0.096 0.000 3/27648 980.0 0.854 0.600 0.703 -0.000 -0.095 0.000 3/27648 990.0 0.846 0.594 0.697 -0.000 -0.094 0.000 3/27648 1000.0 0.838 0.588 0.690 -0.000 -0.093 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:24:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|