----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640572849999999 -3.252517830000000 0.000000000000000 b 5.640572849999999 3.252517830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): *1 B 0.33425275418437 0.90719848082384 0.25000000000000 10.811 2 B 0.09280151917617 0.66574724581563 0.25000000000000 10.811 *3 B 0.57649287221517 0.42350712778483 0.25000000000000 10.811 4 B 0.42350712778483 0.57649287221517 0.75000000000000 10.811 5 B 0.66574724581563 0.09280151917617 0.75000000000000 10.811 6 B 0.90719848082384 0.33425275418437 0.75000000000000 10.811 *7 O 0.44661779668047 0.33467624638395 0.75000000000000 15.999 8 O 0.66532375361605 0.55338220331953 0.75000000000000 15.999 *9 O 0.88359295865071 0.11640704134929 0.75000000000000 15.999 10 O 0.11640704134929 0.88359295865071 0.25000000000000 15.999 11 O 0.55338220331953 0.66532375361605 0.25000000000000 15.999 12 O 0.33467624638395 0.44661779668047 0.25000000000000 15.999 *13 O 0.01727213160658 0.33374640995112 0.60746576880183 15.999 14 O 0.01727213160658 0.33374640995112 0.89253423119817 15.999 15 O 0.66625359004888 0.98272786839343 0.60746576880183 15.999 16 O 0.66625359004888 0.98272786839343 0.89253423119817 15.999 *17 O 0.31467647463513 0.68532352536487 0.60565850160015 15.999 18 O 0.31467647463513 0.68532352536487 0.89434149839985 15.999 19 O 0.68532352536487 0.31467647463513 0.10565850160015 15.999 20 O 0.68532352536487 0.31467647463513 0.39434149839985 15.999 21 O 0.98272786839342 0.66625359004888 0.10746576880183 15.999 22 O 0.98272786839342 0.66625359004888 0.39253423119817 15.999 23 O 0.33374640995112 0.01727213160657 0.10746576880183 15.999 24 O 0.33374640995112 0.01727213160657 0.39253423119817 15.999 *25 Y 0.32970897787247 0.32970897787247 0.00000000000000 88.906 26 Y 0.32970897787247 0.32970897787247 0.50000000000000 88.906 *27 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 29 Y 0.67029102212753 0.67029102212753 0.00000000000000 88.906 30 Y 0.67029102212753 0.67029102212753 0.50000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.281145699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.505035660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): *1 B 0.12072561750410 0.78647286331973 0.25000000000000 10.811 > 1 2 B 0.37927438249590 0.28647286331973 0.25000000000000 10.811 > 2 *3 B 0.00000000000000 0.42350712778483 0.25000000000000 10.811 > 3 4 B 0.00000000000000 0.57649287221517 0.75000000000000 10.811 > 4 5 B 0.37927438249590 0.71352713668027 0.75000000000000 10.811 > 5 6 B 0.12072561750410 0.21352713668027 0.75000000000000 10.811 > 6 7 B 0.62072561750410 0.28647286331973 0.25000000000000 10.811 > 1 8 B 0.87927438249590 0.78647286331973 0.25000000000000 10.811 > 2 9 B 0.50000000000000 0.92350712778483 0.25000000000000 10.811 > 3 10 B 0.50000000000000 0.07649287221517 0.75000000000000 10.811 > 4 11 B 0.87927438249590 0.21352713668027 0.75000000000000 10.811 > 5 12 B 0.62072561750410 0.71352713668027 0.75000000000000 10.811 > 6 *13 O 0.39064702153221 0.94402922485174 0.75000000000000 15.999 > 7 14 O 0.10935297846779 0.44402922485174 0.75000000000000 15.999 > 8 *15 O 0.00000000000000 0.11640704134929 0.75000000000000 15.999 > 9 16 O 0.00000000000000 0.88359295865071 0.25000000000000 15.999 > 10 17 O 0.10935297846779 0.55597077514826 0.25000000000000 15.999 > 11 18 O 0.39064702153221 0.05597077514826 0.25000000000000 15.999 > 12 *19 O 0.17550927077885 0.15823713917227 0.60746576880183 15.999 > 13 20 O 0.17550927077885 0.15823713917227 0.89253423119817 15.999 > 14 21 O 0.32449072922115 0.65823713917227 0.60746576880183 15.999 > 15 22 O 0.32449072922115 0.65823713917227 0.89253423119817 15.999 > 16 *23 O 0.00000000000000 0.68532352536487 0.60565850160015 15.999 > 17 24 O 0.00000000000000 0.68532352536487 0.89434149839985 15.999 > 18 25 O 0.00000000000000 0.31467647463513 0.10565850160015 15.999 > 19 26 O 0.00000000000000 0.31467647463513 0.39434149839985 15.999 > 20 27 O 0.32449072922115 0.34176286082773 0.10746576880183 15.999 > 21 28 O 0.32449072922115 0.34176286082773 0.39253423119817 15.999 > 22 29 O 0.17550927077885 0.84176286082773 0.10746576880183 15.999 > 23 30 O 0.17550927077885 0.84176286082773 0.39253423119817 15.999 > 24 31 O 0.89064702153221 0.44402922485174 0.75000000000000 15.999 > 7 32 O 0.60935297846779 0.94402922485174 0.75000000000000 15.999 > 8 33 O 0.50000000000000 0.61640704134929 0.75000000000000 15.999 > 9 34 O 0.50000000000000 0.38359295865071 0.25000000000000 15.999 > 10 35 O 0.60935297846779 0.05597077514826 0.25000000000000 15.999 > 11 36 O 0.89064702153221 0.55597077514826 0.25000000000000 15.999 > 12 37 O 0.67550927077885 0.65823713917227 0.60746576880183 15.999 > 13 38 O 0.67550927077885 0.65823713917227 0.89253423119817 15.999 > 14 39 O 0.82449072922115 0.15823713917227 0.60746576880183 15.999 > 15 40 O 0.82449072922115 0.15823713917227 0.89253423119817 15.999 > 16 41 O 0.50000000000000 0.18532352536487 0.60565850160015 15.999 > 17 42 O 0.50000000000000 0.18532352536487 0.89434149839985 15.999 > 18 43 O 0.50000000000000 0.81467647463513 0.10565850160015 15.999 > 19 44 O 0.50000000000000 0.81467647463513 0.39434149839985 15.999 > 20 45 O 0.82449072922115 0.84176286082773 0.10746576880183 15.999 > 21 46 O 0.82449072922115 0.84176286082773 0.39253423119817 15.999 > 22 47 O 0.67550927077885 0.34176286082773 0.10746576880183 15.999 > 23 48 O 0.67550927077885 0.34176286082773 0.39253423119817 15.999 > 24 *49 Y 0.32970897787247 0.00000000000000 0.00000000000000 88.906 > 25 50 Y 0.32970897787247 0.00000000000000 0.50000000000000 88.906 > 26 *51 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 27 52 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 28 53 Y 0.17029102212753 0.50000000000000 0.00000000000000 88.906 > 29 54 Y 0.17029102212753 0.50000000000000 0.50000000000000 88.906 > 30 55 Y 0.82970897787247 0.50000000000000 0.00000000000000 88.906 > 25 56 Y 0.82970897787247 0.50000000000000 0.50000000000000 88.906 > 26 57 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 27 58 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 28 59 Y 0.67029102212753 0.00000000000000 0.00000000000000 88.906 > 29 60 Y 0.67029102212753 0.00000000000000 0.50000000000000 88.906 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.281145699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.010071320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): *1 B 0.12072561750410 0.39323643165987 0.25000000000000 10.811 > 1 2 B 0.12072561750410 0.89323643165987 0.25000000000000 10.811 > 1 3 B 0.37927438249590 0.14323643165987 0.25000000000000 10.811 > 2 4 B 0.37927438249590 0.64323643165987 0.25000000000000 10.811 > 2 *5 B 0.00000000000000 0.21175356389241 0.25000000000000 10.811 > 3 6 B 0.00000000000000 0.71175356389241 0.25000000000000 10.811 > 3 7 B 0.00000000000000 0.28824643610759 0.75000000000000 10.811 > 4 8 B 0.00000000000000 0.78824643610759 0.75000000000000 10.811 > 4 9 B 0.37927438249590 0.35676356834013 0.75000000000000 10.811 > 5 10 B 0.37927438249590 0.85676356834013 0.75000000000000 10.811 > 5 11 B 0.12072561750410 0.10676356834013 0.75000000000000 10.811 > 6 12 B 0.12072561750410 0.60676356834013 0.75000000000000 10.811 > 6 13 B 0.62072561750410 0.14323643165987 0.25000000000000 10.811 > 1 14 B 0.62072561750410 0.64323643165987 0.25000000000000 10.811 > 1 15 B 0.87927438249590 0.39323643165987 0.25000000000000 10.811 > 2 16 B 0.87927438249590 0.89323643165987 0.25000000000000 10.811 > 2 17 B 0.50000000000000 0.46175356389241 0.25000000000000 10.811 > 3 18 B 0.50000000000000 0.96175356389241 0.25000000000000 10.811 > 3 19 B 0.50000000000000 0.03824643610759 0.75000000000000 10.811 > 4 20 B 0.50000000000000 0.53824643610759 0.75000000000000 10.811 > 4 21 B 0.87927438249590 0.10676356834013 0.75000000000000 10.811 > 5 22 B 0.87927438249590 0.60676356834013 0.75000000000000 10.811 > 5 23 B 0.62072561750410 0.35676356834013 0.75000000000000 10.811 > 6 24 B 0.62072561750410 0.85676356834013 0.75000000000000 10.811 > 6 *25 O 0.39064702153221 0.47201461242587 0.75000000000000 15.999 > 7 26 O 0.39064702153221 0.97201461242587 0.75000000000000 15.999 > 7 27 O 0.10935297846779 0.22201461242587 0.75000000000000 15.999 > 8 28 O 0.10935297846779 0.72201461242587 0.75000000000000 15.999 > 8 *29 O 0.00000000000000 0.05820352067464 0.75000000000000 15.999 > 9 30 O 0.00000000000000 0.55820352067464 0.75000000000000 15.999 > 9 31 O 0.00000000000000 0.44179647932536 0.25000000000000 15.999 > 10 32 O 0.00000000000000 0.94179647932536 0.25000000000000 15.999 > 10 33 O 0.10935297846779 0.27798538757413 0.25000000000000 15.999 > 11 34 O 0.10935297846779 0.77798538757413 0.25000000000000 15.999 > 11 35 O 0.39064702153221 0.02798538757413 0.25000000000000 15.999 > 12 36 O 0.39064702153221 0.52798538757413 0.25000000000000 15.999 > 12 *37 O 0.17550927077885 0.07911856958614 0.60746576880183 15.999 > 13 38 O 0.17550927077885 0.57911856958614 0.60746576880183 15.999 > 13 39 O 0.17550927077885 0.07911856958614 0.89253423119817 15.999 > 14 40 O 0.17550927077885 0.57911856958614 0.89253423119817 15.999 > 14 41 O 0.32449072922115 0.32911856958614 0.60746576880183 15.999 > 15 42 O 0.32449072922115 0.82911856958614 0.60746576880183 15.999 > 15 43 O 0.32449072922115 0.32911856958614 0.89253423119817 15.999 > 16 44 O 0.32449072922115 0.82911856958614 0.89253423119817 15.999 > 16 *45 O 0.00000000000000 0.34266176268244 0.60565850160015 15.999 > 17 46 O 0.00000000000000 0.84266176268244 0.60565850160015 15.999 > 17 47 O 0.00000000000000 0.34266176268244 0.89434149839985 15.999 > 18 48 O 0.00000000000000 0.84266176268244 0.89434149839985 15.999 > 18 49 O 0.00000000000000 0.15733823731756 0.10565850160015 15.999 > 19 50 O 0.00000000000000 0.65733823731756 0.10565850160015 15.999 > 19 51 O 0.00000000000000 0.15733823731756 0.39434149839985 15.999 > 20 52 O 0.00000000000000 0.65733823731756 0.39434149839985 15.999 > 20 53 O 0.32449072922115 0.17088143041386 0.10746576880183 15.999 > 21 54 O 0.32449072922115 0.67088143041386 0.10746576880183 15.999 > 21 55 O 0.32449072922115 0.17088143041386 0.39253423119817 15.999 > 22 56 O 0.32449072922115 0.67088143041386 0.39253423119817 15.999 > 22 57 O 0.17550927077885 0.42088143041386 0.10746576880183 15.999 > 23 58 O 0.17550927077885 0.92088143041386 0.10746576880183 15.999 > 23 59 O 0.17550927077885 0.42088143041386 0.39253423119817 15.999 > 24 60 O 0.17550927077885 0.92088143041386 0.39253423119817 15.999 > 24 61 O 0.89064702153221 0.22201461242587 0.75000000000000 15.999 > 7 62 O 0.89064702153221 0.72201461242587 0.75000000000000 15.999 > 7 63 O 0.60935297846779 0.47201461242587 0.75000000000000 15.999 > 8 64 O 0.60935297846779 0.97201461242587 0.75000000000000 15.999 > 8 65 O 0.50000000000000 0.30820352067464 0.75000000000000 15.999 > 9 66 O 0.50000000000000 0.80820352067464 0.75000000000000 15.999 > 9 67 O 0.50000000000000 0.19179647932536 0.25000000000000 15.999 > 10 68 O 0.50000000000000 0.69179647932536 0.25000000000000 15.999 > 10 69 O 0.60935297846779 0.02798538757413 0.25000000000000 15.999 > 11 70 O 0.60935297846779 0.52798538757413 0.25000000000000 15.999 > 11 71 O 0.89064702153221 0.27798538757413 0.25000000000000 15.999 > 12 72 O 0.89064702153221 0.77798538757413 0.25000000000000 15.999 > 12 73 O 0.67550927077885 0.32911856958614 0.60746576880183 15.999 > 13 74 O 0.67550927077885 0.82911856958614 0.60746576880183 15.999 > 13 75 O 0.67550927077885 0.32911856958614 0.89253423119817 15.999 > 14 76 O 0.67550927077885 0.82911856958614 0.89253423119817 15.999 > 14 77 O 0.82449072922115 0.07911856958614 0.60746576880183 15.999 > 15 78 O 0.82449072922115 0.57911856958614 0.60746576880183 15.999 > 15 79 O 0.82449072922115 0.07911856958614 0.89253423119817 15.999 > 16 80 O 0.82449072922115 0.57911856958614 0.89253423119817 15.999 > 16 81 O 0.50000000000000 0.09266176268244 0.60565850160015 15.999 > 17 82 O 0.50000000000000 0.59266176268244 0.60565850160015 15.999 > 17 83 O 0.50000000000000 0.09266176268244 0.89434149839985 15.999 > 18 84 O 0.50000000000000 0.59266176268244 0.89434149839985 15.999 > 18 85 O 0.50000000000000 0.40733823731756 0.10565850160015 15.999 > 19 86 O 0.50000000000000 0.90733823731756 0.10565850160015 15.999 > 19 87 O 0.50000000000000 0.40733823731756 0.39434149839985 15.999 > 20 88 O 0.50000000000000 0.90733823731756 0.39434149839985 15.999 > 20 89 O 0.82449072922115 0.42088143041386 0.10746576880183 15.999 > 21 90 O 0.82449072922115 0.92088143041386 0.10746576880183 15.999 > 21 91 O 0.82449072922115 0.42088143041386 0.39253423119817 15.999 > 22 92 O 0.82449072922115 0.92088143041386 0.39253423119817 15.999 > 22 93 O 0.67550927077885 0.17088143041386 0.10746576880183 15.999 > 23 94 O 0.67550927077885 0.67088143041386 0.10746576880183 15.999 > 23 95 O 0.67550927077885 0.17088143041386 0.39253423119817 15.999 > 24 96 O 0.67550927077885 0.67088143041386 0.39253423119817 15.999 > 24 *97 Y 0.32970897787247 0.00000000000000 0.00000000000000 88.906 > 25 98 Y 0.32970897787247 0.50000000000000 0.00000000000000 88.906 > 25 99 Y 0.32970897787247 0.00000000000000 0.50000000000000 88.906 > 26 100 Y 0.32970897787247 0.50000000000000 0.50000000000000 88.906 > 26 *101 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 27 102 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 27 103 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 28 104 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 28 105 Y 0.17029102212753 0.25000000000000 0.00000000000000 88.906 > 29 106 Y 0.17029102212753 0.75000000000000 0.00000000000000 88.906 > 29 107 Y 0.17029102212753 0.25000000000000 0.50000000000000 88.906 > 30 108 Y 0.17029102212753 0.75000000000000 0.50000000000000 88.906 > 30 109 Y 0.82970897787247 0.25000000000000 0.00000000000000 88.906 > 25 110 Y 0.82970897787247 0.75000000000000 0.00000000000000 88.906 > 25 111 Y 0.82970897787247 0.25000000000000 0.50000000000000 88.906 > 26 112 Y 0.82970897787247 0.75000000000000 0.50000000000000 88.906 > 26 113 Y 0.50000000000000 0.25000000000000 0.00000000000000 88.906 > 27 114 Y 0.50000000000000 0.75000000000000 0.00000000000000 88.906 > 27 115 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 28 116 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 28 117 Y 0.67029102212753 0.00000000000000 0.00000000000000 88.906 > 29 118 Y 0.67029102212753 0.50000000000000 0.00000000000000 88.906 > 29 119 Y 0.67029102212753 0.00000000000000 0.50000000000000 88.906 > 30 120 Y 0.67029102212753 0.50000000000000 0.50000000000000 88.906 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5532951 0.0000000 0.0000000 0.0000000 3.5595570 0.0000000 0.0000000 0.0000000 3.6331264 -------------------------- Born effective charges -------------------------- 1 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 2 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 3 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 4 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 5 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 6 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 7 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 8 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 9 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 10 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 11 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 12 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 13 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 14 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 15 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 16 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 17 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 18 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 19 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 20 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 21 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 22 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 23 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 24 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 25 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 26 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 27 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 -0.2672514 0.0000000 -0.1740897 3.7396254 28 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 0.2672514 0.0000000 0.1740897 3.7396254 29 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 30 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.651 Solver_block: 200 / 480 - Time: 0.573 Solver_block: 300 / 480 - Time: 0.573 Solver_block: 400 / 480 - Time: 0.571 Solver_block: 480 / 480 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.940 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:55:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:55:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640572849999999 -3.252517830000000 0.000000000000000 b 5.640572849999999 3.252517830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): 1 B 0.33425275418437 0.90719848082384 0.25000000000000 10.811 2 B 0.09280151917617 0.66574724581563 0.25000000000000 10.811 3 B 0.57649287221517 0.42350712778483 0.25000000000000 10.811 4 B 0.42350712778483 0.57649287221517 0.75000000000000 10.811 5 B 0.66574724581563 0.09280151917617 0.75000000000000 10.811 6 B 0.90719848082384 0.33425275418437 0.75000000000000 10.811 7 O 0.44661779668047 0.33467624638395 0.75000000000000 15.999 8 O 0.66532375361605 0.55338220331953 0.75000000000000 15.999 9 O 0.88359295865071 0.11640704134929 0.75000000000000 15.999 10 O 0.11640704134929 0.88359295865071 0.25000000000000 15.999 11 O 0.55338220331953 0.66532375361605 0.25000000000000 15.999 12 O 0.33467624638395 0.44661779668047 0.25000000000000 15.999 13 O 0.01727213160658 0.33374640995112 0.60746576880183 15.999 14 O 0.01727213160658 0.33374640995112 0.89253423119817 15.999 15 O 0.66625359004888 0.98272786839343 0.60746576880183 15.999 16 O 0.66625359004888 0.98272786839343 0.89253423119817 15.999 17 O 0.31467647463513 0.68532352536487 0.60565850160015 15.999 18 O 0.31467647463513 0.68532352536487 0.89434149839985 15.999 19 O 0.68532352536487 0.31467647463513 0.10565850160015 15.999 20 O 0.68532352536487 0.31467647463513 0.39434149839985 15.999 21 O 0.98272786839342 0.66625359004888 0.10746576880183 15.999 22 O 0.98272786839342 0.66625359004888 0.39253423119817 15.999 23 O 0.33374640995112 0.01727213160657 0.10746576880183 15.999 24 O 0.33374640995112 0.01727213160657 0.39253423119817 15.999 25 Y 0.32970897787247 0.32970897787247 0.00000000000000 88.906 26 Y 0.32970897787247 0.32970897787247 0.50000000000000 88.906 27 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 29 Y 0.67029102212753 0.67029102212753 0.00000000000000 88.906 30 Y 0.67029102212753 0.67029102212753 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.281145699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.010071320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): 1 B 0.12072561750410 0.39323643165987 0.25000000000000 10.811 > 1 2 B 0.12072561750410 0.89323643165987 0.25000000000000 10.811 > 1 3 B 0.37927438249590 0.14323643165987 0.25000000000000 10.811 > 3 4 B 0.37927438249590 0.64323643165987 0.25000000000000 10.811 > 3 5 B 0.00000000000000 0.21175356389241 0.25000000000000 10.811 > 5 6 B 0.00000000000000 0.71175356389241 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.28824643610759 0.75000000000000 10.811 > 7 8 B 0.00000000000000 0.78824643610759 0.75000000000000 10.811 > 7 9 B 0.37927438249590 0.35676356834013 0.75000000000000 10.811 > 9 10 B 0.37927438249590 0.85676356834013 0.75000000000000 10.811 > 9 11 B 0.12072561750410 0.10676356834013 0.75000000000000 10.811 > 11 12 B 0.12072561750410 0.60676356834013 0.75000000000000 10.811 > 11 13 B 0.62072561750410 0.14323643165987 0.25000000000000 10.811 > 1 14 B 0.62072561750410 0.64323643165987 0.25000000000000 10.811 > 1 15 B 0.87927438249590 0.39323643165987 0.25000000000000 10.811 > 3 16 B 0.87927438249590 0.89323643165987 0.25000000000000 10.811 > 3 17 B 0.50000000000000 0.46175356389241 0.25000000000000 10.811 > 5 18 B 0.50000000000000 0.96175356389241 0.25000000000000 10.811 > 5 19 B 0.50000000000000 0.03824643610759 0.75000000000000 10.811 > 7 20 B 0.50000000000000 0.53824643610759 0.75000000000000 10.811 > 7 21 B 0.87927438249590 0.10676356834013 0.75000000000000 10.811 > 9 22 B 0.87927438249590 0.60676356834013 0.75000000000000 10.811 > 9 23 B 0.62072561750410 0.35676356834013 0.75000000000000 10.811 > 11 24 B 0.62072561750410 0.85676356834013 0.75000000000000 10.811 > 11 25 O 0.39064702153221 0.47201461242587 0.75000000000000 15.999 > 25 26 O 0.39064702153221 0.97201461242587 0.75000000000000 15.999 > 25 27 O 0.10935297846779 0.22201461242587 0.75000000000000 15.999 > 27 28 O 0.10935297846779 0.72201461242587 0.75000000000000 15.999 > 27 29 O 0.00000000000000 0.05820352067464 0.75000000000000 15.999 > 29 30 O 0.00000000000000 0.55820352067464 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.44179647932536 0.25000000000000 15.999 > 31 32 O 0.00000000000000 0.94179647932536 0.25000000000000 15.999 > 31 33 O 0.10935297846779 0.27798538757413 0.25000000000000 15.999 > 33 34 O 0.10935297846779 0.77798538757413 0.25000000000000 15.999 > 33 35 O 0.39064702153221 0.02798538757413 0.25000000000000 15.999 > 35 36 O 0.39064702153221 0.52798538757413 0.25000000000000 15.999 > 35 37 O 0.17550927077885 0.07911856958614 0.60746576880183 15.999 > 37 38 O 0.17550927077885 0.57911856958614 0.60746576880183 15.999 > 37 39 O 0.17550927077885 0.07911856958614 0.89253423119817 15.999 > 39 40 O 0.17550927077885 0.57911856958614 0.89253423119817 15.999 > 39 41 O 0.32449072922115 0.32911856958614 0.60746576880183 15.999 > 41 42 O 0.32449072922115 0.82911856958614 0.60746576880183 15.999 > 41 43 O 0.32449072922115 0.32911856958614 0.89253423119817 15.999 > 43 44 O 0.32449072922115 0.82911856958614 0.89253423119817 15.999 > 43 45 O 0.00000000000000 0.34266176268244 0.60565850160015 15.999 > 45 46 O 0.00000000000000 0.84266176268244 0.60565850160015 15.999 > 45 47 O 0.00000000000000 0.34266176268244 0.89434149839985 15.999 > 47 48 O 0.00000000000000 0.84266176268244 0.89434149839985 15.999 > 47 49 O 0.00000000000000 0.15733823731756 0.10565850160015 15.999 > 49 50 O 0.00000000000000 0.65733823731756 0.10565850160015 15.999 > 49 51 O 0.00000000000000 0.15733823731756 0.39434149839985 15.999 > 51 52 O 0.00000000000000 0.65733823731756 0.39434149839985 15.999 > 51 53 O 0.32449072922115 0.17088143041386 0.10746576880183 15.999 > 53 54 O 0.32449072922115 0.67088143041386 0.10746576880183 15.999 > 53 55 O 0.32449072922115 0.17088143041386 0.39253423119817 15.999 > 55 56 O 0.32449072922115 0.67088143041386 0.39253423119817 15.999 > 55 57 O 0.17550927077885 0.42088143041386 0.10746576880183 15.999 > 57 58 O 0.17550927077885 0.92088143041386 0.10746576880183 15.999 > 57 59 O 0.17550927077885 0.42088143041386 0.39253423119817 15.999 > 59 60 O 0.17550927077885 0.92088143041386 0.39253423119817 15.999 > 59 61 O 0.89064702153221 0.22201461242587 0.75000000000000 15.999 > 25 62 O 0.89064702153221 0.72201461242587 0.75000000000000 15.999 > 25 63 O 0.60935297846779 0.47201461242587 0.75000000000000 15.999 > 27 64 O 0.60935297846779 0.97201461242587 0.75000000000000 15.999 > 27 65 O 0.50000000000000 0.30820352067464 0.75000000000000 15.999 > 29 66 O 0.50000000000000 0.80820352067464 0.75000000000000 15.999 > 29 67 O 0.50000000000000 0.19179647932536 0.25000000000000 15.999 > 31 68 O 0.50000000000000 0.69179647932536 0.25000000000000 15.999 > 31 69 O 0.60935297846779 0.02798538757413 0.25000000000000 15.999 > 33 70 O 0.60935297846779 0.52798538757413 0.25000000000000 15.999 > 33 71 O 0.89064702153221 0.27798538757413 0.25000000000000 15.999 > 35 72 O 0.89064702153221 0.77798538757413 0.25000000000000 15.999 > 35 73 O 0.67550927077885 0.32911856958614 0.60746576880183 15.999 > 37 74 O 0.67550927077885 0.82911856958614 0.60746576880183 15.999 > 37 75 O 0.67550927077885 0.32911856958614 0.89253423119817 15.999 > 39 76 O 0.67550927077885 0.82911856958614 0.89253423119817 15.999 > 39 77 O 0.82449072922115 0.07911856958614 0.60746576880183 15.999 > 41 78 O 0.82449072922115 0.57911856958614 0.60746576880183 15.999 > 41 79 O 0.82449072922115 0.07911856958614 0.89253423119817 15.999 > 43 80 O 0.82449072922115 0.57911856958614 0.89253423119817 15.999 > 43 81 O 0.50000000000000 0.09266176268244 0.60565850160015 15.999 > 45 82 O 0.50000000000000 0.59266176268244 0.60565850160015 15.999 > 45 83 O 0.50000000000000 0.09266176268244 0.89434149839985 15.999 > 47 84 O 0.50000000000000 0.59266176268244 0.89434149839985 15.999 > 47 85 O 0.50000000000000 0.40733823731756 0.10565850160015 15.999 > 49 86 O 0.50000000000000 0.90733823731756 0.10565850160015 15.999 > 49 87 O 0.50000000000000 0.40733823731756 0.39434149839985 15.999 > 51 88 O 0.50000000000000 0.90733823731756 0.39434149839985 15.999 > 51 89 O 0.82449072922115 0.42088143041386 0.10746576880183 15.999 > 53 90 O 0.82449072922115 0.92088143041386 0.10746576880183 15.999 > 53 91 O 0.82449072922115 0.42088143041386 0.39253423119817 15.999 > 55 92 O 0.82449072922115 0.92088143041386 0.39253423119817 15.999 > 55 93 O 0.67550927077885 0.17088143041386 0.10746576880183 15.999 > 57 94 O 0.67550927077885 0.67088143041386 0.10746576880183 15.999 > 57 95 O 0.67550927077885 0.17088143041386 0.39253423119817 15.999 > 59 96 O 0.67550927077885 0.67088143041386 0.39253423119817 15.999 > 59 97 Y 0.32970897787247 0.00000000000000 0.00000000000000 88.906 > 97 98 Y 0.32970897787247 0.50000000000000 0.00000000000000 88.906 > 97 99 Y 0.32970897787247 0.00000000000000 0.50000000000000 88.906 > 99 100 Y 0.32970897787247 0.50000000000000 0.50000000000000 88.906 > 99 101 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 101 102 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 101 103 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 103 104 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 103 105 Y 0.17029102212753 0.25000000000000 0.00000000000000 88.906 > 105 106 Y 0.17029102212753 0.75000000000000 0.00000000000000 88.906 > 105 107 Y 0.17029102212753 0.25000000000000 0.50000000000000 88.906 > 107 108 Y 0.17029102212753 0.75000000000000 0.50000000000000 88.906 > 107 109 Y 0.82970897787247 0.25000000000000 0.00000000000000 88.906 > 97 110 Y 0.82970897787247 0.75000000000000 0.00000000000000 88.906 > 97 111 Y 0.82970897787247 0.25000000000000 0.50000000000000 88.906 > 99 112 Y 0.82970897787247 0.75000000000000 0.50000000000000 88.906 > 99 113 Y 0.50000000000000 0.25000000000000 0.00000000000000 88.906 > 101 114 Y 0.50000000000000 0.75000000000000 0.00000000000000 88.906 > 101 115 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 103 116 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 103 117 Y 0.67029102212753 0.00000000000000 0.00000000000000 88.906 > 105 118 Y 0.67029102212753 0.50000000000000 0.00000000000000 88.906 > 105 119 Y 0.67029102212753 0.00000000000000 0.50000000000000 88.906 > 107 120 Y 0.67029102212753 0.50000000000000 0.50000000000000 88.906 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5532951 0.0000000 0.0000000 0.0000000 3.5595570 0.0000000 0.0000000 0.0000000 3.6331264 -------------------------- Born effective charges -------------------------- 1 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 2 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 3 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 4 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 5 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 6 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 7 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 8 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 9 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 10 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 11 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 12 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 13 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 14 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 15 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 16 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 17 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 18 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 19 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 20 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 21 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 22 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 23 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 24 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 25 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 26 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 27 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 -0.2672514 0.0000000 -0.1740897 3.7396254 28 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 0.2672514 0.0000000 0.1740897 3.7396254 29 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 30 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 07:55:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:56:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640572849999999 -3.252517830000000 0.000000000000000 b 5.640572849999999 3.252517830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): 1 B 0.33425275418437 0.90719848082384 0.25000000000000 10.811 2 B 0.09280151917617 0.66574724581563 0.25000000000000 10.811 3 B 0.57649287221517 0.42350712778483 0.25000000000000 10.811 4 B 0.42350712778483 0.57649287221517 0.75000000000000 10.811 5 B 0.66574724581563 0.09280151917617 0.75000000000000 10.811 6 B 0.90719848082384 0.33425275418437 0.75000000000000 10.811 7 O 0.44661779668047 0.33467624638395 0.75000000000000 15.999 8 O 0.66532375361605 0.55338220331953 0.75000000000000 15.999 9 O 0.88359295865071 0.11640704134929 0.75000000000000 15.999 10 O 0.11640704134929 0.88359295865071 0.25000000000000 15.999 11 O 0.55338220331953 0.66532375361605 0.25000000000000 15.999 12 O 0.33467624638395 0.44661779668047 0.25000000000000 15.999 13 O 0.01727213160658 0.33374640995112 0.60746576880183 15.999 14 O 0.01727213160658 0.33374640995112 0.89253423119817 15.999 15 O 0.66625359004888 0.98272786839343 0.60746576880183 15.999 16 O 0.66625359004888 0.98272786839343 0.89253423119817 15.999 17 O 0.31467647463513 0.68532352536487 0.60565850160015 15.999 18 O 0.31467647463513 0.68532352536487 0.89434149839985 15.999 19 O 0.68532352536487 0.31467647463513 0.10565850160015 15.999 20 O 0.68532352536487 0.31467647463513 0.39434149839985 15.999 21 O 0.98272786839342 0.66625359004888 0.10746576880183 15.999 22 O 0.98272786839342 0.66625359004888 0.39253423119817 15.999 23 O 0.33374640995112 0.01727213160657 0.10746576880183 15.999 24 O 0.33374640995112 0.01727213160657 0.39253423119817 15.999 25 Y 0.32970897787247 0.32970897787247 0.00000000000000 88.906 26 Y 0.32970897787247 0.32970897787247 0.50000000000000 88.906 27 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 29 Y 0.67029102212753 0.67029102212753 0.00000000000000 88.906 30 Y 0.67029102212753 0.67029102212753 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.281145699999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.010071320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.814092589999998 Atomic positions (fractional): 1 B 0.12072561750410 0.39323643165987 0.25000000000000 10.811 > 1 2 B 0.12072561750410 0.89323643165987 0.25000000000000 10.811 > 1 3 B 0.37927438249590 0.14323643165987 0.25000000000000 10.811 > 3 4 B 0.37927438249590 0.64323643165987 0.25000000000000 10.811 > 3 5 B 0.00000000000000 0.21175356389241 0.25000000000000 10.811 > 5 6 B 0.00000000000000 0.71175356389241 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.28824643610759 0.75000000000000 10.811 > 7 8 B 0.00000000000000 0.78824643610759 0.75000000000000 10.811 > 7 9 B 0.37927438249590 0.35676356834013 0.75000000000000 10.811 > 9 10 B 0.37927438249590 0.85676356834013 0.75000000000000 10.811 > 9 11 B 0.12072561750410 0.10676356834013 0.75000000000000 10.811 > 11 12 B 0.12072561750410 0.60676356834013 0.75000000000000 10.811 > 11 13 B 0.62072561750410 0.14323643165987 0.25000000000000 10.811 > 1 14 B 0.62072561750410 0.64323643165987 0.25000000000000 10.811 > 1 15 B 0.87927438249590 0.39323643165987 0.25000000000000 10.811 > 3 16 B 0.87927438249590 0.89323643165987 0.25000000000000 10.811 > 3 17 B 0.50000000000000 0.46175356389241 0.25000000000000 10.811 > 5 18 B 0.50000000000000 0.96175356389241 0.25000000000000 10.811 > 5 19 B 0.50000000000000 0.03824643610759 0.75000000000000 10.811 > 7 20 B 0.50000000000000 0.53824643610759 0.75000000000000 10.811 > 7 21 B 0.87927438249590 0.10676356834013 0.75000000000000 10.811 > 9 22 B 0.87927438249590 0.60676356834013 0.75000000000000 10.811 > 9 23 B 0.62072561750410 0.35676356834013 0.75000000000000 10.811 > 11 24 B 0.62072561750410 0.85676356834013 0.75000000000000 10.811 > 11 25 O 0.39064702153221 0.47201461242587 0.75000000000000 15.999 > 25 26 O 0.39064702153221 0.97201461242587 0.75000000000000 15.999 > 25 27 O 0.10935297846779 0.22201461242587 0.75000000000000 15.999 > 27 28 O 0.10935297846779 0.72201461242587 0.75000000000000 15.999 > 27 29 O 0.00000000000000 0.05820352067464 0.75000000000000 15.999 > 29 30 O 0.00000000000000 0.55820352067464 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.44179647932536 0.25000000000000 15.999 > 31 32 O 0.00000000000000 0.94179647932536 0.25000000000000 15.999 > 31 33 O 0.10935297846779 0.27798538757413 0.25000000000000 15.999 > 33 34 O 0.10935297846779 0.77798538757413 0.25000000000000 15.999 > 33 35 O 0.39064702153221 0.02798538757413 0.25000000000000 15.999 > 35 36 O 0.39064702153221 0.52798538757413 0.25000000000000 15.999 > 35 37 O 0.17550927077885 0.07911856958614 0.60746576880183 15.999 > 37 38 O 0.17550927077885 0.57911856958614 0.60746576880183 15.999 > 37 39 O 0.17550927077885 0.07911856958614 0.89253423119817 15.999 > 39 40 O 0.17550927077885 0.57911856958614 0.89253423119817 15.999 > 39 41 O 0.32449072922115 0.32911856958614 0.60746576880183 15.999 > 41 42 O 0.32449072922115 0.82911856958614 0.60746576880183 15.999 > 41 43 O 0.32449072922115 0.32911856958614 0.89253423119817 15.999 > 43 44 O 0.32449072922115 0.82911856958614 0.89253423119817 15.999 > 43 45 O 0.00000000000000 0.34266176268244 0.60565850160015 15.999 > 45 46 O 0.00000000000000 0.84266176268244 0.60565850160015 15.999 > 45 47 O 0.00000000000000 0.34266176268244 0.89434149839985 15.999 > 47 48 O 0.00000000000000 0.84266176268244 0.89434149839985 15.999 > 47 49 O 0.00000000000000 0.15733823731756 0.10565850160015 15.999 > 49 50 O 0.00000000000000 0.65733823731756 0.10565850160015 15.999 > 49 51 O 0.00000000000000 0.15733823731756 0.39434149839985 15.999 > 51 52 O 0.00000000000000 0.65733823731756 0.39434149839985 15.999 > 51 53 O 0.32449072922115 0.17088143041386 0.10746576880183 15.999 > 53 54 O 0.32449072922115 0.67088143041386 0.10746576880183 15.999 > 53 55 O 0.32449072922115 0.17088143041386 0.39253423119817 15.999 > 55 56 O 0.32449072922115 0.67088143041386 0.39253423119817 15.999 > 55 57 O 0.17550927077885 0.42088143041386 0.10746576880183 15.999 > 57 58 O 0.17550927077885 0.92088143041386 0.10746576880183 15.999 > 57 59 O 0.17550927077885 0.42088143041386 0.39253423119817 15.999 > 59 60 O 0.17550927077885 0.92088143041386 0.39253423119817 15.999 > 59 61 O 0.89064702153221 0.22201461242587 0.75000000000000 15.999 > 25 62 O 0.89064702153221 0.72201461242587 0.75000000000000 15.999 > 25 63 O 0.60935297846779 0.47201461242587 0.75000000000000 15.999 > 27 64 O 0.60935297846779 0.97201461242587 0.75000000000000 15.999 > 27 65 O 0.50000000000000 0.30820352067464 0.75000000000000 15.999 > 29 66 O 0.50000000000000 0.80820352067464 0.75000000000000 15.999 > 29 67 O 0.50000000000000 0.19179647932536 0.25000000000000 15.999 > 31 68 O 0.50000000000000 0.69179647932536 0.25000000000000 15.999 > 31 69 O 0.60935297846779 0.02798538757413 0.25000000000000 15.999 > 33 70 O 0.60935297846779 0.52798538757413 0.25000000000000 15.999 > 33 71 O 0.89064702153221 0.27798538757413 0.25000000000000 15.999 > 35 72 O 0.89064702153221 0.77798538757413 0.25000000000000 15.999 > 35 73 O 0.67550927077885 0.32911856958614 0.60746576880183 15.999 > 37 74 O 0.67550927077885 0.82911856958614 0.60746576880183 15.999 > 37 75 O 0.67550927077885 0.32911856958614 0.89253423119817 15.999 > 39 76 O 0.67550927077885 0.82911856958614 0.89253423119817 15.999 > 39 77 O 0.82449072922115 0.07911856958614 0.60746576880183 15.999 > 41 78 O 0.82449072922115 0.57911856958614 0.60746576880183 15.999 > 41 79 O 0.82449072922115 0.07911856958614 0.89253423119817 15.999 > 43 80 O 0.82449072922115 0.57911856958614 0.89253423119817 15.999 > 43 81 O 0.50000000000000 0.09266176268244 0.60565850160015 15.999 > 45 82 O 0.50000000000000 0.59266176268244 0.60565850160015 15.999 > 45 83 O 0.50000000000000 0.09266176268244 0.89434149839985 15.999 > 47 84 O 0.50000000000000 0.59266176268244 0.89434149839985 15.999 > 47 85 O 0.50000000000000 0.40733823731756 0.10565850160015 15.999 > 49 86 O 0.50000000000000 0.90733823731756 0.10565850160015 15.999 > 49 87 O 0.50000000000000 0.40733823731756 0.39434149839985 15.999 > 51 88 O 0.50000000000000 0.90733823731756 0.39434149839985 15.999 > 51 89 O 0.82449072922115 0.42088143041386 0.10746576880183 15.999 > 53 90 O 0.82449072922115 0.92088143041386 0.10746576880183 15.999 > 53 91 O 0.82449072922115 0.42088143041386 0.39253423119817 15.999 > 55 92 O 0.82449072922115 0.92088143041386 0.39253423119817 15.999 > 55 93 O 0.67550927077885 0.17088143041386 0.10746576880183 15.999 > 57 94 O 0.67550927077885 0.67088143041386 0.10746576880183 15.999 > 57 95 O 0.67550927077885 0.17088143041386 0.39253423119817 15.999 > 59 96 O 0.67550927077885 0.67088143041386 0.39253423119817 15.999 > 59 97 Y 0.32970897787247 0.00000000000000 0.00000000000000 88.906 > 97 98 Y 0.32970897787247 0.50000000000000 0.00000000000000 88.906 > 97 99 Y 0.32970897787247 0.00000000000000 0.50000000000000 88.906 > 99 100 Y 0.32970897787247 0.50000000000000 0.50000000000000 88.906 > 99 101 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 101 102 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 101 103 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 103 104 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 103 105 Y 0.17029102212753 0.25000000000000 0.00000000000000 88.906 > 105 106 Y 0.17029102212753 0.75000000000000 0.00000000000000 88.906 > 105 107 Y 0.17029102212753 0.25000000000000 0.50000000000000 88.906 > 107 108 Y 0.17029102212753 0.75000000000000 0.50000000000000 88.906 > 107 109 Y 0.82970897787247 0.25000000000000 0.00000000000000 88.906 > 97 110 Y 0.82970897787247 0.75000000000000 0.00000000000000 88.906 > 97 111 Y 0.82970897787247 0.25000000000000 0.50000000000000 88.906 > 99 112 Y 0.82970897787247 0.75000000000000 0.50000000000000 88.906 > 99 113 Y 0.50000000000000 0.25000000000000 0.00000000000000 88.906 > 101 114 Y 0.50000000000000 0.75000000000000 0.00000000000000 88.906 > 101 115 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 103 116 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 103 117 Y 0.67029102212753 0.00000000000000 0.00000000000000 88.906 > 105 118 Y 0.67029102212753 0.50000000000000 0.00000000000000 88.906 > 105 119 Y 0.67029102212753 0.00000000000000 0.50000000000000 88.906 > 107 120 Y 0.67029102212753 0.50000000000000 0.50000000000000 88.906 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5532951 0.0000000 0.0000000 0.0000000 3.5595570 0.0000000 0.0000000 0.0000000 3.6331264 -------------------------- Born effective charges -------------------------- 1 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 2 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 3 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 4 B 2.1596943 0.0000000 0.0000000 0.0000000 2.2104201 0.0000000 0.0000000 0.0000000 2.9716173 5 B 2.1762126 0.0307361 0.0000000 0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 6 B 2.1762126 -0.0307361 0.0000000 -0.0199703 2.1546426 0.0000000 0.0000000 0.0000000 2.9252984 7 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 8 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 9 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 10 O -2.5094274 0.0000000 0.0000000 0.0000000 -1.3145663 0.0000000 0.0000000 0.0000000 -2.2638355 11 O -1.5723421 -0.5081544 0.0000000 -0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 12 O -1.5723421 0.5081544 0.0000000 0.5117380 -2.1878926 0.0000000 0.0000000 0.0000000 -2.2012632 13 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 14 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 15 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 16 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 17 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 18 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 19 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 -0.5544924 0.0000000 -0.6344294 -2.2694282 20 O -1.7834320 0.0000000 0.0000000 0.0000000 -2.3612223 0.5544924 0.0000000 0.6344294 -2.2694282 21 O -2.2031523 0.2064624 -0.4877763 0.2564025 -1.9400950 0.2858764 -0.5429934 0.3137398 -2.1901520 22 O -2.2031523 0.2064624 0.4877763 0.2564025 -1.9400950 -0.2858764 0.5429934 -0.3137398 -2.1901520 23 O -2.2031523 -0.2064624 0.4877763 -0.2564025 -1.9400950 0.2858764 0.5429934 0.3137398 -2.1901520 24 O -2.2031523 -0.2064624 -0.4877763 -0.2564025 -1.9400950 -0.2858764 -0.5429934 -0.3137398 -2.1901520 25 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 26 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 27 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 -0.2672514 0.0000000 -0.1740897 3.7396254 28 Y 3.5320969 0.0000000 0.0000000 0.0000000 4.2839599 0.2672514 0.0000000 0.1740897 3.7396254 29 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 0.0882621 0.0000000 0.0723398 3.7019935 30 Y 3.9946841 0.0000000 0.0000000 0.0000000 3.6847555 -0.0882621 0.0000000 -0.0723398 3.7019935 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.61, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 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 3.455 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.205 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 15.159 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.331 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.604 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.313 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 18.966 ( 0.000 0.000 0.000) 0.000 20.051 ( 0.000 0.000 0.000) 0.000 20.058 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 20.178 ( 0.000 0.000 0.000) 0.000 20.544 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 0.000 0.000) 0.000 20.996 ( 0.000 0.000 0.000) 0.000 21.123 ( 0.000 0.000 0.000) 0.000 24.398 ( 0.000 0.000 0.000) 0.000 24.400 ( 0.000 0.000 0.000) 0.000 24.866 ( 0.000 0.000 0.000) 0.000 25.075 ( 0.000 0.000 0.000) 0.000 25.366 ( 0.000 0.000 0.000) 0.000 25.388 ( 0.000 0.000 0.000) 0.000 27.035 ( 0.000 0.000 0.000) 0.000 27.120 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 27.302 ( 0.000 0.000 0.000) 0.000 29.138 ( 0.000 0.000 0.000) 0.000 29.372 ( 0.000 0.000 0.000) 0.000 29.696 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 0.000) 0.000 30.021 ( 0.000 0.000 0.000) 0.000 30.301 ( 0.000 0.000 0.000) 0.000 30.585 ( 0.000 0.000 0.000) 0.000 30.701 ( 0.000 0.000 0.000) 0.000 31.019 ( 0.000 0.000 0.000) 0.000 31.438 ( 0.000 0.000 0.000) 0.000 31.542 ( 0.000 0.000 0.000) 0.000 35.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 25.132 -34.199 0.000) 42.440 1.000 ( 25.320 -42.802 0.000) 49.731 1.500 ( 33.108 -67.092 0.000) 74.816 3.457 ( 4.708 2.444 0.000) 5.304 3.629 ( -1.206 -8.345 0.000) 8.431 4.049 ( -0.548 -3.536 0.000) 3.578 4.150 ( 3.739 -5.095 0.000) 6.320 5.001 ( 4.459 18.400 0.000) 18.933 5.063 ( -4.263 18.225 0.000) 18.717 5.256 ( 0.522 -1.049 0.000) 1.172 5.262 ( 0.381 -1.251 0.000) 1.308 5.584 ( -13.616 -5.282 0.000) 14.604 5.634 ( 0.593 0.040 0.000) 0.595 5.738 ( -10.060 14.503 0.000) 17.650 5.798 ( 6.261 1.726 0.000) 6.495 6.021 ( 1.692 -1.007 0.000) 1.969 6.168 ( -10.106 -2.494 0.000) 10.409 6.354 ( 2.277 -4.003 0.000) 4.605 6.457 ( -5.322 2.817 0.000) 6.021 6.512 ( 10.837 9.888 0.000) 14.671 7.174 ( -8.770 -0.907 0.000) 8.816 7.239 ( -5.720 0.493 0.000) 5.741 7.389 ( 5.648 3.595 0.000) 6.695 7.485 ( 5.133 1.582 0.000) 5.371 7.583 ( -3.859 7.190 0.000) 8.160 7.817 ( 5.716 -7.487 0.000) 9.419 7.878 ( -1.850 -2.584 0.000) 3.178 8.011 ( -0.646 -7.626 0.000) 7.654 8.226 ( -7.623 3.964 0.000) 8.592 8.594 ( 9.542 -5.262 0.000) 10.896 8.787 ( 0.602 2.371 0.000) 2.446 9.000 ( -1.541 -4.578 0.000) 4.830 9.589 ( 1.279 1.702 0.000) 2.128 9.717 ( 4.810 10.948 0.000) 11.958 10.141 ( -0.621 -0.892 0.000) 1.087 10.442 ( -7.169 -4.343 0.000) 8.381 10.746 ( 3.424 -5.335 0.000) 6.339 11.001 ( -7.370 14.418 0.000) 16.193 11.534 ( -1.434 7.657 0.000) 7.791 11.540 ( -13.400 -4.404 0.000) 14.105 11.626 ( -2.650 3.132 0.000) 4.102 11.852 ( -3.321 8.522 0.000) 9.146 11.901 ( 0.093 18.299 0.000) 18.300 12.020 ( 1.231 1.209 0.000) 1.726 12.196 ( -1.888 6.654 0.000) 6.917 12.604 ( -3.041 -6.293 0.000) 6.989 13.134 ( -6.793 -12.668 0.000) 14.374 13.329 ( 15.429 0.278 0.000) 15.432 13.944 ( -0.087 -16.262 0.000) 16.262 14.318 ( 7.282 4.318 0.000) 8.466 14.590 ( 2.082 -9.827 0.000) 10.045 15.161 ( 2.051 0.492 0.000) 2.110 16.339 ( -0.092 -2.070 0.000) 2.072 16.389 ( -2.123 -5.598 0.000) 5.987 16.582 ( 4.530 2.440 0.000) 5.145 16.677 ( 2.861 -3.170 0.000) 4.270 18.128 ( 1.038 -2.570 0.000) 2.772 18.336 ( 1.603 -1.644 0.000) 2.296 18.550 ( 0.544 -4.652 0.000) 4.683 18.975 ( -0.131 -1.189 0.000) 1.196 19.960 ( -8.379 12.888 0.000) 15.372 20.009 ( -1.492 3.327 0.000) 3.646 20.033 ( -1.574 2.365 0.000) 2.841 20.123 ( -1.494 7.413 0.000) 7.562 20.640 ( 1.966 -6.658 0.000) 6.942 20.955 ( -3.178 3.066 0.000) 4.416 20.990 ( 4.319 -4.471 0.000) 6.216 21.082 ( -1.427 3.769 0.000) 4.030 24.386 ( 0.165 0.795 0.000) 0.812 24.412 ( 0.029 -0.610 0.000) 0.611 25.083 ( -2.124 -2.018 0.000) 2.930 25.254 ( -12.323 -8.569 0.000) 15.010 25.441 ( 0.610 -7.752 0.000) 7.776 26.343 ( 7.069 6.607 0.000) 9.675 27.103 ( -0.210 2.199 0.000) 2.209 27.170 ( -7.116 -1.346 0.000) 7.242 27.314 ( -4.617 -7.741 0.000) 9.013 28.748 ( 14.647 14.810 0.000) 20.829 29.373 ( -1.243 -0.975 0.000) 1.580 29.609 ( -2.620 5.851 0.000) 6.411 29.790 ( 0.406 -4.535 0.000) 4.553 29.941 ( -11.713 -5.346 0.000) 12.875 30.323 ( 3.549 -1.385 0.000) 3.810 30.556 ( 10.979 5.665 0.000) 12.355 30.691 ( 2.570 2.837 0.000) 3.828 30.810 ( 5.104 -9.548 0.000) 10.827 31.037 ( -1.229 -2.747 0.000) 3.009 31.351 ( 1.349 6.542 0.000) 6.680 31.684 ( 1.856 -11.282 0.000) 11.434 35.541 ( -9.573 17.083 0.000) 19.582 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 22.544 -32.950 0.000) 39.924 1.941 ( 23.521 -38.567 0.000) 45.174 2.909 ( 30.520 -59.808 0.000) 67.145 3.465 ( 6.168 2.829 0.000) 6.786 3.793 ( -2.225 -12.097 0.000) 12.300 4.104 ( -1.913 -3.426 0.000) 3.924 4.309 ( 5.647 -6.985 0.000) 8.982 4.620 ( -5.542 24.411 0.000) 25.032 4.717 ( -4.900 16.370 0.000) 17.087 5.230 ( -8.506 6.611 0.000) 10.773 5.279 ( -1.022 -1.077 0.000) 1.484 5.406 ( -9.658 7.352 0.000) 12.138 5.423 ( -1.256 7.700 0.000) 7.801 5.658 ( 5.352 0.502 0.000) 5.376 5.820 ( -3.907 1.519 0.000) 4.192 5.998 ( -8.042 5.966 0.000) 10.013 6.076 ( 3.464 -2.398 0.000) 4.214 6.393 ( 1.488 6.236 0.000) 6.411 6.464 ( 2.623 -5.486 0.000) 6.081 6.486 ( 8.237 3.882 0.000) 9.107 7.062 ( -15.905 4.892 0.000) 16.640 7.140 ( -5.208 -3.245 0.000) 6.136 7.298 ( 0.407 6.463 0.000) 6.475 7.511 ( 0.110 0.983 0.000) 0.989 7.541 ( 6.805 2.560 0.000) 7.271 7.905 ( -5.993 -3.191 0.000) 6.790 7.981 ( 2.189 -2.675 0.000) 3.456 8.102 ( 0.135 3.837 0.000) 3.839 8.130 ( 2.138 -8.855 0.000) 9.109 8.726 ( 1.696 1.236 0.000) 2.098 8.823 ( 8.232 -6.607 0.000) 10.556 9.078 ( -3.123 -6.517 0.000) 7.227 9.490 ( -5.836 14.882 0.000) 15.986 9.554 ( 2.712 4.579 0.000) 5.322 10.138 ( -0.905 1.134 0.000) 1.451 10.472 ( -4.543 -5.432 0.000) 7.081 10.685 ( -8.574 10.084 0.000) 13.236 10.892 ( 7.585 -4.782 0.000) 8.967 11.352 ( -3.698 10.009 0.000) 10.670 11.427 ( -7.130 6.493 0.000) 9.644 11.478 ( -5.699 22.755 0.000) 23.458 11.496 ( -4.086 7.701 0.000) 8.718 11.693 ( -5.535 4.204 0.000) 6.951 12.012 ( 0.368 0.681 0.000) 0.774 12.121 ( 0.016 3.550 0.000) 3.550 12.647 ( -2.379 -2.739 0.000) 3.628 13.252 ( -1.581 -5.982 0.000) 6.188 13.521 ( 7.378 -7.703 0.000) 10.666 14.197 ( 0.014 -9.731 0.000) 9.731 14.364 ( 5.578 -3.251 0.000) 6.456 14.806 ( 6.114 -9.083 0.000) 10.949 15.211 ( 3.718 -4.049 0.000) 5.497 16.384 ( -1.182 -3.341 0.000) 3.544 16.464 ( -1.105 -4.453 0.000) 4.588 16.614 ( 5.898 -0.415 0.000) 5.912 16.768 ( 3.061 -3.710 0.000) 4.810 18.202 ( 1.638 -4.160 0.000) 4.471 18.391 ( 2.363 -2.096 0.000) 3.159 18.661 ( 1.353 -6.594 0.000) 6.731 19.005 ( 0.023 -2.453 0.000) 2.453 19.628 ( -7.118 15.773 0.000) 17.305 19.921 ( -2.230 4.540 0.000) 5.058 19.936 ( -7.287 8.564 0.000) 11.244 19.954 ( -2.472 4.096 0.000) 4.784 20.756 ( 4.047 -3.184 0.000) 5.150 20.867 ( -3.004 3.155 0.000) 4.356 20.985 ( -2.376 4.407 0.000) 5.007 21.128 ( 3.899 -6.066 0.000) 7.211 24.377 ( 0.143 0.313 0.000) 0.344 24.419 ( 0.058 -0.181 0.000) 0.190 25.099 ( -0.726 -1.410 0.000) 1.586 25.296 ( -2.495 -4.850 0.000) 5.454 25.612 ( 4.618 -8.230 0.000) 9.437 26.285 ( 1.373 4.826 0.000) 5.017 27.031 ( -0.383 6.001 0.000) 6.013 27.134 ( -3.576 -0.544 0.000) 3.617 27.409 ( -3.222 -8.081 0.000) 8.699 28.570 ( 0.569 14.687 0.000) 14.698 29.387 ( -1.316 -2.230 0.000) 2.590 29.511 ( -0.750 3.011 0.000) 3.103 29.905 ( 0.526 -8.114 0.000) 8.131 29.926 ( -6.335 -4.138 0.000) 7.567 30.371 ( 7.527 2.116 0.000) 7.818 30.595 ( 4.671 0.136 0.000) 4.673 30.649 ( 3.519 5.807 0.000) 6.789 31.033 ( 3.688 -10.707 0.000) 11.325 31.082 ( -2.958 -4.741 0.000) 5.588 31.272 ( 3.619 5.494 0.000) 6.579 31.943 ( 4.541 -15.614 0.000) 16.261 35.008 ( -16.118 28.948 0.000) 33.133 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 18.483 -30.299 0.000) 35.492 2.759 ( 19.754 -31.638 0.000) 37.299 3.482 ( 5.027 1.771 0.000) 5.330 3.972 ( -1.731 -9.688 0.000) 9.842 4.031 ( 17.091 -32.079 0.000) 36.347 4.090 ( -6.046 1.373 0.000) 6.200 4.123 ( -4.930 22.252 0.000) 22.792 4.438 ( -1.153 8.128 0.000) 8.209 4.462 ( 2.599 -1.987 0.000) 3.272 4.963 ( -8.296 2.007 0.000) 8.535 5.222 ( -3.572 5.091 0.000) 6.219 5.278 ( -0.689 -0.615 0.000) 0.923 5.428 ( 2.675 -1.759 0.000) 3.202 5.675 ( -7.003 7.932 0.000) 10.581 5.745 ( 10.345 -1.639 0.000) 10.474 5.888 ( -3.310 0.357 0.000) 3.329 6.139 ( 1.202 -1.920 0.000) 2.265 6.273 ( 4.168 11.253 0.000) 12.000 6.467 ( -2.964 2.644 0.000) 3.972 6.566 ( 0.590 -4.010 0.000) 4.053 6.841 ( -11.102 4.578 0.000) 12.009 7.169 ( -3.183 -4.088 0.000) 5.181 7.233 ( 4.478 3.262 0.000) 5.540 7.473 ( -5.721 1.039 0.000) 5.815 7.508 ( 0.524 5.041 0.000) 5.068 7.841 ( -6.771 0.465 0.000) 6.787 8.014 ( 3.833 -0.864 0.000) 3.929 8.118 ( 4.229 0.097 0.000) 4.230 8.320 ( 2.740 -8.561 0.000) 8.989 8.741 ( 5.479 -0.729 0.000) 5.527 9.018 ( 2.898 -6.524 0.000) 7.138 9.123 ( -7.925 18.712 0.000) 20.321 9.137 ( -3.619 -4.620 0.000) 5.869 9.511 ( 4.535 3.480 0.000) 5.717 10.072 ( -1.647 4.399 0.000) 4.697 10.516 ( -3.862 -4.137 0.000) 5.660 10.538 ( -5.604 -0.143 0.000) 5.606 11.030 ( 7.402 12.778 0.000) 14.767 11.064 ( -3.910 2.097 0.000) 4.437 11.145 ( -4.390 8.682 0.000) 9.729 11.264 ( -5.706 5.177 0.000) 7.704 11.308 ( -3.800 8.764 0.000) 9.552 11.583 ( -5.507 3.164 0.000) 6.352 12.004 ( 0.294 0.593 0.000) 0.662 12.059 ( -0.978 2.949 0.000) 3.107 12.663 ( -1.490 -1.450 0.000) 2.079 13.316 ( 0.501 -2.357 0.000) 2.410 13.695 ( 2.813 -6.265 0.000) 6.867 14.280 ( 2.693 -0.681 0.000) 2.778 14.488 ( 1.307 -4.798 0.000) 4.973 14.985 ( 4.582 -5.749 0.000) 7.352 15.373 ( 3.997 -8.718 0.000) 9.591 16.422 ( -1.532 -2.817 0.000) 3.207 16.500 ( -0.302 -0.555 0.000) 0.632 16.709 ( 5.134 -3.590 0.000) 6.265 16.851 ( 2.268 -2.627 0.000) 3.470 18.290 ( 1.417 -4.064 0.000) 4.304 18.442 ( 1.952 -1.117 0.000) 2.249 18.781 ( 2.690 -4.556 0.000) 5.291 19.047 ( -1.086 -1.752 0.000) 2.062 19.335 ( -4.140 9.460 0.000) 10.326 19.706 ( -8.182 8.997 0.000) 12.161 19.822 ( -1.932 4.232 0.000) 4.653 19.864 ( -2.126 3.256 0.000) 3.889 20.779 ( -1.721 4.568 0.000) 4.881 20.829 ( 3.598 -1.067 0.000) 3.753 20.926 ( -1.945 -0.406 0.000) 1.987 21.253 ( 2.381 -4.620 0.000) 5.197 24.379 ( 0.148 -0.353 0.000) 0.383 24.418 ( 0.029 0.367 0.000) 0.368 25.114 ( 0.415 -0.496 0.000) 0.647 25.363 ( -0.056 -4.045 0.000) 4.045 25.784 ( 5.672 -5.240 0.000) 7.722 26.221 ( -1.339 2.092 0.000) 2.484 26.903 ( -0.540 7.596 0.000) 7.615 27.115 ( -2.183 -0.488 0.000) 2.237 27.534 ( -2.085 -9.802 0.000) 10.021 28.281 ( -4.450 15.990 0.000) 16.598 29.422 ( -0.669 -2.730 0.000) 2.811 29.484 ( 0.605 0.668 0.000) 0.902 29.958 ( -2.953 -4.494 0.000) 5.378 30.067 ( 0.158 -10.138 0.000) 10.139 30.406 ( 7.661 2.424 0.000) 8.035 30.558 ( 2.851 8.385 0.000) 8.856 30.617 ( 0.335 0.266 0.000) 0.428 31.134 ( -5.033 -5.816 0.000) 7.691 31.225 ( 2.583 -7.607 0.000) 8.033 31.231 ( 6.001 5.124 0.000) 7.891 32.316 ( 8.413 -20.753 0.000) 22.393 34.293 ( -18.238 33.259 0.000) 37.931 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 11.610 -22.605 0.000) 25.413 3.378 ( 11.426 -19.135 0.000) 22.286 3.511 ( 4.665 -2.371 0.000) 5.233 3.665 ( -6.854 18.574 0.000) 19.799 3.854 ( -8.679 13.023 0.000) 15.650 4.113 ( -2.140 -4.500 0.000) 4.983 4.233 ( -2.291 5.313 0.000) 5.786 4.353 ( 0.433 0.579 0.000) 0.723 4.499 ( 0.465 0.823 0.000) 0.945 5.156 ( 1.326 -6.835 0.000) 6.962 5.191 ( 2.130 -1.453 0.000) 2.578 5.361 ( 3.950 -5.624 0.000) 6.872 5.465 ( -5.657 6.966 0.000) 8.974 5.557 ( 7.989 -13.353 0.000) 15.561 5.883 ( 3.092 -3.140 0.000) 4.407 5.898 ( 2.146 -3.027 0.000) 3.711 6.068 ( -3.866 13.280 0.000) 13.831 6.166 ( 0.168 -0.577 0.000) 0.601 6.378 ( -4.126 1.012 0.000) 4.248 6.610 ( -0.400 -1.278 0.000) 1.339 6.654 ( -4.746 7.623 0.000) 8.980 7.202 ( -0.593 -2.157 0.000) 2.237 7.250 ( 3.340 1.099 0.000) 3.516 7.407 ( -2.966 0.175 0.000) 2.971 7.418 ( -2.015 2.898 0.000) 3.530 7.804 ( -1.800 -0.653 0.000) 1.915 8.095 ( 3.429 -2.650 0.000) 4.334 8.130 ( 1.055 1.004 0.000) 1.456 8.456 ( 0.594 -5.373 0.000) 5.406 8.766 ( -4.347 12.843 0.000) 13.559 8.863 ( 8.458 -4.309 0.000) 9.493 9.011 ( -6.692 2.791 0.000) 7.251 9.204 ( -0.158 -3.170 0.000) 3.174 9.536 ( 3.313 -0.601 0.000) 3.367 9.993 ( -1.137 2.407 0.000) 2.662 10.523 ( -1.823 -1.194 0.000) 2.179 10.539 ( -2.633 -2.471 0.000) 3.611 10.771 ( -0.116 9.045 0.000) 9.046 11.003 ( -2.208 3.344 0.000) 4.007 11.137 ( 0.085 0.953 0.000) 0.956 11.160 ( -1.527 4.287 0.000) 4.550 11.214 ( 1.487 -3.139 0.000) 3.473 11.476 ( -3.457 3.156 0.000) 4.681 11.999 ( 0.475 0.252 0.000) 0.538 12.012 ( -0.957 1.166 0.000) 1.508 12.669 ( -0.522 -0.459 0.000) 0.695 13.345 ( 0.327 -0.611 0.000) 0.693 13.785 ( 0.691 -2.218 0.000) 2.323 14.303 ( 1.115 0.038 0.000) 1.115 14.541 ( 0.534 -0.912 0.000) 1.057 15.091 ( 1.638 -2.572 0.000) 3.049 15.520 ( 1.539 -4.051 0.000) 4.333 16.453 ( -0.834 -2.133 0.000) 2.291 16.489 ( 0.181 1.369 0.000) 1.381 16.801 ( 2.107 -1.965 0.000) 2.881 16.897 ( 0.738 -0.923 0.000) 1.182 18.354 ( 0.523 -1.888 0.000) 1.959 18.464 ( 0.747 -0.040 0.000) 0.748 18.851 ( 2.789 -0.174 0.000) 2.795 19.002 ( -3.835 1.368 0.000) 4.072 19.306 ( 3.501 -4.290 0.000) 5.537 19.484 ( -6.606 7.930 0.000) 10.322 19.754 ( -0.754 1.755 0.000) 1.910 19.811 ( -0.818 1.162 0.000) 1.421 20.702 ( -0.664 2.230 0.000) 2.327 20.864 ( 1.398 -0.234 0.000) 1.417 20.935 ( -0.574 -1.120 0.000) 1.259 21.324 ( 0.799 -1.679 0.000) 1.859 24.391 ( 0.124 -0.738 0.000) 0.748 24.408 ( -0.051 0.718 0.000) 0.720 25.123 ( 0.323 -0.112 0.000) 0.342 25.417 ( 0.300 -1.617 0.000) 1.645 25.882 ( 2.694 -1.260 0.000) 2.975 26.196 ( -1.095 -0.275 0.000) 1.129 26.796 ( -0.205 3.572 0.000) 3.578 27.106 ( -0.827 -0.172 0.000) 0.845 27.711 ( 0.286 -12.040 0.000) 12.043 27.971 ( -3.486 14.664 0.000) 15.073 29.458 ( -0.373 -1.897 0.000) 1.934 29.481 ( 0.591 0.736 0.000) 0.944 30.000 ( -0.910 -2.090 0.000) 2.279 30.242 ( -0.583 -10.016 0.000) 10.033 30.425 ( 1.641 9.376 0.000) 9.518 30.436 ( 3.794 0.993 0.000) 3.922 30.604 ( -0.970 0.371 0.000) 1.039 31.178 ( -6.719 -5.960 0.000) 8.982 31.207 ( 7.182 5.516 0.000) 9.056 31.332 ( 0.936 -2.695 0.000) 2.853 32.806 ( 11.154 -23.168 0.000) 25.713 33.578 ( -14.936 28.152 0.000) 31.869 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 41.268 0.000 0.000) 41.268 0.997 ( 49.030 0.000 0.000) 49.030 1.478 ( 73.863 0.000 0.000) 73.863 3.539 ( -1.738 -0.000 0.000) 1.738 3.557 ( 9.447 0.000 0.000) 9.447 4.025 ( 1.453 0.000 0.000) 1.453 4.139 ( 4.169 0.000 0.000) 4.169 5.193 ( -4.965 -0.000 0.000) 4.965 5.244 ( 0.043 0.000 0.000) 0.043 5.261 ( -10.570 -0.000 0.000) 10.570 5.282 ( -12.222 -0.000 0.000) 12.222 5.316 ( -12.344 -0.000 0.000) 12.344 5.524 ( -8.499 -0.000 0.000) 8.499 5.774 ( 0.885 0.000 0.000) 0.885 5.863 ( 0.373 0.000 0.000) 0.373 5.974 ( -4.863 -0.000 0.000) 4.863 6.020 ( 1.370 0.000 0.000) 1.370 6.338 ( -17.355 -0.000 0.000) 17.355 6.360 ( 5.760 0.000 0.000) 5.760 6.780 ( 9.950 0.000 0.000) 9.950 7.077 ( -7.619 -0.000 0.000) 7.619 7.258 ( 1.417 0.000 0.000) 1.417 7.493 ( -1.664 -0.000 0.000) 1.664 7.541 ( 11.069 0.000 0.000) 11.069 7.597 ( 2.753 0.000 0.000) 2.753 7.829 ( -3.586 -0.000 0.000) 3.586 7.835 ( -2.063 -0.000 0.000) 2.063 7.907 ( 3.690 0.000 0.000) 3.690 8.169 ( -6.326 -0.000 0.000) 6.326 8.682 ( 13.302 0.000 0.000) 13.302 8.809 ( 0.075 0.000 0.000) 0.075 8.935 ( -3.217 -0.000 0.000) 3.217 9.620 ( 2.465 0.000 0.000) 2.465 10.120 ( -1.528 -0.000 0.000) 1.528 10.180 ( -12.314 -0.000 0.000) 12.314 10.238 ( 4.170 0.000 0.000) 4.170 10.494 ( 4.216 0.000 0.000) 4.216 11.035 ( -12.651 -0.000 0.000) 12.651 11.400 ( 1.384 0.000 0.000) 1.384 11.577 ( -8.018 -0.000 0.000) 8.018 11.614 ( -1.172 -0.000 0.000) 1.172 11.893 ( -10.695 -0.000 0.000) 10.695 11.912 ( -16.603 -0.000 0.000) 16.603 12.011 ( -2.741 -0.000 0.000) 2.741 12.224 ( -3.034 -0.000 0.000) 3.034 12.478 ( 0.947 0.000 0.000) 0.947 13.025 ( 0.135 0.000 0.000) 0.135 13.580 ( 16.319 0.000 0.000) 16.319 13.801 ( 1.990 0.000 0.000) 1.990 14.439 ( -4.000 -0.000 0.000) 4.000 14.551 ( 20.376 0.000 0.000) 20.376 15.200 ( 4.009 0.000 0.000) 4.009 16.328 ( 2.316 0.000 0.000) 2.316 16.329 ( -0.159 -0.000 0.000) 0.159 16.650 ( 5.132 0.000 0.000) 5.132 16.709 ( 3.741 0.000 0.000) 3.741 18.121 ( 2.053 0.000 0.000) 2.053 18.346 ( 3.161 0.000 0.000) 3.161 18.516 ( 1.128 0.000 0.000) 1.128 18.961 ( -0.561 -0.000 0.000) 0.561 19.923 ( -14.975 -0.000 0.000) 14.975 20.019 ( -3.108 -0.000 0.000) 3.108 20.024 ( -3.466 -0.000 0.000) 3.466 20.239 ( -1.711 -0.000 0.000) 1.711 20.547 ( 0.296 0.000 0.000) 0.296 20.931 ( -5.857 -0.000 0.000) 5.857 21.031 ( 9.425 0.000 0.000) 9.425 21.095 ( -2.737 -0.000 0.000) 2.737 24.397 ( -0.043 -0.000 0.000) 0.043 24.405 ( 0.063 0.000 0.000) 0.063 24.876 ( 1.146 0.000 0.000) 1.146 25.106 ( 3.053 0.000 0.000) 3.053 25.380 ( 0.910 0.000 0.000) 0.910 26.494 ( -0.958 -0.000 0.000) 0.958 27.016 ( -1.979 -0.000 0.000) 1.979 27.127 ( 0.663 0.000 0.000) 0.663 27.248 ( 0.428 0.000 0.000) 0.428 29.147 ( 0.892 0.000 0.000) 0.892 29.389 ( 1.878 0.000 0.000) 1.878 29.466 ( -16.576 -0.000 0.000) 16.576 29.757 ( 0.854 0.000 0.000) 0.854 29.837 ( 3.438 0.000 0.000) 3.438 30.343 ( 3.965 0.000 0.000) 3.965 30.671 ( 6.578 0.000 0.000) 6.578 30.756 ( 5.322 0.000 0.000) 5.322 30.863 ( 3.663 0.000 0.000) 3.663 30.998 ( -1.986 -0.000 0.000) 1.986 31.451 ( 1.235 0.000 0.000) 1.235 31.585 ( 4.463 0.000 0.000) 4.463 35.546 ( -19.137 -0.000 0.000) 19.137 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 34.117 -22.613 0.000) 40.930 1.694 ( 39.312 -24.280 0.000) 46.205 2.503 ( 59.804 -34.723 0.000) 69.153 3.588 ( -0.985 -6.617 0.000) 6.690 3.615 ( 8.430 3.472 0.000) 9.117 4.063 ( 1.990 -1.713 0.000) 2.626 4.241 ( 4.555 -6.282 0.000) 7.760 4.903 ( -13.026 18.210 0.000) 22.389 4.917 ( -9.671 14.881 0.000) 17.747 5.191 ( -11.469 1.052 0.000) 11.517 5.260 ( -0.642 -0.907 0.000) 1.112 5.293 ( -14.805 -4.617 0.000) 15.509 5.468 ( -8.575 0.230 0.000) 8.578 5.714 ( 3.366 2.966 0.000) 4.486 5.840 ( -1.135 1.781 0.000) 2.111 5.992 ( -7.052 0.287 0.000) 7.058 6.048 ( -0.251 -2.257 0.000) 2.271 6.255 ( -10.586 -9.777 0.000) 14.410 6.441 ( 6.148 -1.767 0.000) 6.396 6.772 ( 11.582 11.012 0.000) 15.981 7.036 ( -4.526 -2.329 0.000) 5.091 7.070 ( -10.795 11.910 0.000) 16.074 7.412 ( -0.615 5.763 0.000) 5.796 7.602 ( 6.430 6.422 0.000) 9.088 7.624 ( 2.907 0.285 0.000) 2.921 7.799 ( -6.243 -1.523 0.000) 6.426 7.935 ( 4.614 -7.922 0.000) 9.168 7.975 ( -3.443 -6.772 0.000) 7.597 8.149 ( 4.137 0.612 0.000) 4.182 8.767 ( 2.385 1.815 0.000) 2.997 8.845 ( 7.605 -2.375 0.000) 7.967 8.949 ( -1.663 -4.835 0.000) 5.113 9.634 ( 3.030 1.810 0.000) 3.530 9.709 ( -7.816 20.057 0.000) 21.526 10.118 ( -1.674 -1.562 0.000) 2.290 10.376 ( 0.721 -3.760 0.000) 3.828 10.770 ( 0.530 -15.041 0.000) 15.051 10.793 ( -11.226 11.784 0.000) 16.276 11.419 ( -1.187 0.855 0.000) 1.463 11.427 ( -9.801 5.884 0.000) 11.432 11.557 ( -3.791 4.185 0.000) 5.646 11.672 ( -14.313 4.204 0.000) 14.917 11.736 ( -13.010 9.279 0.000) 15.980 11.985 ( -2.105 -0.490 0.000) 2.161 12.156 ( -3.961 2.754 0.000) 4.824 12.558 ( -1.202 -6.186 0.000) 6.301 13.048 ( -1.875 -4.273 0.000) 4.666 13.688 ( 18.713 4.790 0.000) 19.316 13.957 ( 1.452 -13.929 0.000) 14.004 14.383 ( -3.106 0.753 0.000) 3.196 14.822 ( 21.529 -4.364 0.000) 21.967 15.236 ( 5.331 0.706 0.000) 5.378 16.337 ( -0.207 -1.375 0.000) 1.390 16.391 ( 2.287 -3.851 0.000) 4.479 16.694 ( 6.083 1.844 0.000) 6.356 16.759 ( 5.191 -1.762 0.000) 5.482 18.166 ( 2.567 -2.335 0.000) 3.470 18.393 ( 3.807 -1.154 0.000) 3.978 18.574 ( 1.955 -4.786 0.000) 5.169 18.967 ( -0.838 -1.563 0.000) 1.773 19.720 ( -13.758 6.545 0.000) 15.235 19.953 ( -4.112 2.761 0.000) 4.953 19.972 ( -4.444 1.920 0.000) 4.841 20.056 ( -5.327 12.499 0.000) 13.587 20.664 ( 0.019 -8.990 0.000) 8.990 20.860 ( -5.412 1.006 0.000) 5.505 21.031 ( -3.454 3.548 0.000) 4.951 21.139 ( 9.576 -1.138 0.000) 9.643 24.388 ( 0.019 0.715 0.000) 0.716 24.413 ( 0.105 -0.582 0.000) 0.591 25.035 ( -0.686 -9.794 0.000) 9.818 25.159 ( 0.607 -3.413 0.000) 3.467 25.466 ( 0.619 -9.172 0.000) 9.193 26.415 ( 0.703 6.743 0.000) 6.780 27.038 ( -4.809 -4.090 0.000) 6.313 27.114 ( 0.824 2.726 0.000) 2.848 27.278 ( -0.844 -3.481 0.000) 3.582 28.891 ( -0.520 20.535 0.000) 20.541 29.330 ( -4.166 -2.219 0.000) 4.721 29.500 ( -3.954 -3.605 0.000) 5.351 29.805 ( 1.063 -4.349 0.000) 4.477 29.848 ( 0.722 0.546 0.000) 0.905 30.424 ( 5.770 -2.822 0.000) 6.423 30.699 ( 4.268 3.813 0.000) 5.723 30.782 ( 6.173 4.019 0.000) 7.366 30.943 ( 7.685 -5.063 0.000) 9.202 30.995 ( -2.840 -2.213 0.000) 3.601 31.404 ( 4.092 5.012 0.000) 6.470 31.756 ( 5.588 -11.255 0.000) 12.566 35.185 ( -25.542 15.284 0.000) 29.766 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 27.366 -23.611 0.000) 36.144 2.490 ( 29.629 -27.371 0.000) 40.337 3.602 ( 6.605 5.443 0.000) 8.559 3.660 ( 39.290 -37.801 0.000) 54.521 3.741 ( -2.640 -12.045 0.000) 12.331 4.090 ( 0.165 0.929 0.000) 0.944 4.399 ( 2.782 -6.530 0.000) 7.098 4.429 ( -10.390 20.965 0.000) 23.399 4.595 ( -6.758 12.363 0.000) 14.089 4.943 ( -17.246 7.774 0.000) 18.917 5.200 ( -9.543 -0.490 0.000) 9.556 5.263 ( -0.545 -0.654 0.000) 0.851 5.445 ( 1.694 -1.000 0.000) 1.967 5.759 ( -2.811 6.245 0.000) 6.848 5.767 ( 4.845 -3.197 0.000) 5.804 5.892 ( -3.989 2.466 0.000) 4.690 6.084 ( -2.360 -3.325 0.000) 4.077 6.355 ( -4.297 -7.341 0.000) 8.506 6.516 ( 1.953 -1.876 0.000) 2.708 6.602 ( 0.898 17.453 0.000) 17.476 6.818 ( -5.834 4.609 0.000) 7.435 7.071 ( -0.846 -4.708 0.000) 4.784 7.330 ( 1.960 3.952 0.000) 4.411 7.526 ( 3.169 7.917 0.000) 8.528 7.585 ( -2.970 3.772 0.000) 4.801 7.745 ( -8.065 -1.232 0.000) 8.158 7.990 ( -1.978 -3.231 0.000) 3.789 8.173 ( 1.845 -10.855 0.000) 11.011 8.204 ( 8.530 2.079 0.000) 8.780 8.767 ( 1.921 -1.271 0.000) 2.303 8.962 ( 2.640 -4.574 0.000) 5.281 9.055 ( 5.139 -4.215 0.000) 6.646 9.302 ( -14.183 15.842 0.000) 21.263 9.611 ( 2.323 3.712 0.000) 4.379 10.122 ( -0.253 1.189 0.000) 1.216 10.436 ( 0.067 -2.338 0.000) 2.339 10.519 ( -7.105 6.761 0.000) 9.808 10.977 ( 2.707 -8.010 0.000) 8.455 11.208 ( -10.729 7.309 0.000) 12.982 11.309 ( -7.210 7.459 0.000) 10.374 11.368 ( -4.407 15.653 0.000) 16.262 11.414 ( -3.990 7.444 0.000) 8.445 11.566 ( -5.155 1.342 0.000) 5.327 11.971 ( -3.990 -1.361 0.000) 4.216 12.068 ( -5.172 2.068 0.000) 5.570 12.630 ( -0.003 -3.076 0.000) 3.076 13.119 ( -7.077 -8.373 0.000) 10.963 13.794 ( 15.514 3.022 0.000) 15.806 14.212 ( 1.099 -11.212 0.000) 11.266 14.366 ( -4.586 -4.279 0.000) 6.272 15.058 ( 17.109 0.487 0.000) 17.116 15.314 ( 6.684 -3.731 0.000) 7.655 16.369 ( -0.170 -2.431 0.000) 2.437 16.482 ( 2.624 -3.136 0.000) 4.089 16.727 ( 4.908 0.274 0.000) 4.916 16.844 ( 4.422 -2.041 0.000) 4.870 18.242 ( 2.213 -3.479 0.000) 4.123 18.448 ( 3.105 -0.985 0.000) 3.258 18.705 ( 3.249 -7.084 0.000) 7.794 18.998 ( -0.941 -2.831 0.000) 2.983 19.452 ( -9.339 10.319 0.000) 13.918 19.784 ( -8.108 10.799 0.000) 13.504 19.858 ( -3.940 3.283 0.000) 5.129 19.882 ( -4.562 2.806 0.000) 5.356 20.791 ( -0.422 -5.706 0.000) 5.721 20.810 ( -2.183 0.732 0.000) 2.302 20.927 ( -3.159 3.627 0.000) 4.809 21.248 ( 7.493 -1.554 0.000) 7.653 24.379 ( 0.038 0.247 0.000) 0.250 24.421 ( 0.113 -0.143 0.000) 0.182 25.127 ( 3.271 -0.294 0.000) 3.284 25.246 ( -1.852 -7.176 0.000) 7.411 25.670 ( 0.376 -12.806 0.000) 12.812 26.298 ( 0.099 7.141 0.000) 7.142 27.040 ( 1.067 7.017 0.000) 7.098 27.054 ( -4.066 -3.003 0.000) 5.054 27.353 ( -2.475 -7.387 0.000) 7.790 28.526 ( -5.117 18.327 0.000) 19.028 29.358 ( -1.476 -3.769 0.000) 4.048 29.508 ( 1.029 0.352 0.000) 1.088 29.869 ( 0.028 -2.758 0.000) 2.758 29.919 ( 0.833 -7.594 0.000) 7.640 30.509 ( 6.375 0.359 0.000) 6.385 30.663 ( 1.868 3.660 0.000) 4.109 30.734 ( 4.598 7.754 0.000) 9.015 31.011 ( -3.889 -3.495 0.000) 5.229 31.127 ( 5.413 -7.603 0.000) 9.333 31.385 ( 7.967 4.484 0.000) 9.142 32.062 ( 7.310 -17.293 0.000) 18.775 34.571 ( -27.070 24.651 0.000) 36.613 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 18.833 -21.442 0.000) 28.538 3.169 ( 20.232 -22.207 0.000) 30.041 3.569 ( 3.440 3.701 0.000) 5.053 3.896 ( -11.110 16.182 0.000) 19.629 3.926 ( -3.110 -11.993 0.000) 12.390 3.987 ( -3.971 9.577 0.000) 10.368 4.308 ( -1.829 5.690 0.000) 5.977 4.400 ( -1.590 4.711 0.000) 4.972 4.487 ( -1.144 -2.173 0.000) 2.455 4.955 ( 10.107 -18.867 0.000) 21.404 5.175 ( -0.225 -2.988 0.000) 2.996 5.318 ( 6.600 -5.215 0.000) 8.411 5.500 ( 4.419 -3.024 0.000) 5.355 5.573 ( -3.581 10.781 0.000) 11.360 5.842 ( -3.838 -0.593 0.000) 3.883 5.879 ( 3.921 -3.124 0.000) 5.014 6.111 ( -3.701 -3.300 0.000) 4.958 6.294 ( -2.495 14.304 0.000) 14.520 6.383 ( 0.966 2.226 0.000) 2.427 6.550 ( -2.012 -2.676 0.000) 3.348 6.728 ( -3.438 3.328 0.000) 4.785 7.158 ( 1.756 -4.021 0.000) 4.388 7.305 ( 1.743 2.383 0.000) 2.953 7.423 ( 1.461 4.762 0.000) 4.981 7.467 ( -3.492 4.584 0.000) 5.763 7.716 ( -5.501 -3.503 0.000) 6.521 8.056 ( 0.360 -5.078 0.000) 5.090 8.208 ( 3.634 4.198 0.000) 5.553 8.329 ( -1.219 -6.649 0.000) 6.760 8.870 ( 6.823 -4.891 0.000) 8.395 8.895 ( -16.027 12.971 0.000) 20.619 9.012 ( -0.402 1.295 0.000) 1.356 9.167 ( 4.961 -2.855 0.000) 5.724 9.577 ( 1.562 2.006 0.000) 2.542 10.054 ( 0.209 5.347 0.000) 5.352 10.454 ( -2.445 -1.708 0.000) 2.983 10.460 ( -1.968 -3.351 0.000) 3.886 10.977 ( -2.352 11.466 0.000) 11.705 10.999 ( -9.715 4.141 0.000) 10.561 11.159 ( 1.080 -0.127 0.000) 1.087 11.222 ( 3.502 2.019 0.000) 4.043 11.252 ( -2.020 7.098 0.000) 7.380 11.499 ( -2.168 2.961 0.000) 3.670 11.955 ( -5.185 -2.114 0.000) 5.599 11.993 ( -5.150 0.396 0.000) 5.165 12.672 ( 1.839 -0.945 0.000) 2.067 13.175 ( -10.265 -8.029 0.000) 13.032 13.879 ( 11.688 2.954 0.000) 12.055 14.285 ( -2.627 -1.199 0.000) 2.888 14.463 ( -2.337 -7.413 0.000) 7.773 15.163 ( 11.674 2.427 0.000) 11.924 15.459 ( 4.499 -4.920 0.000) 6.667 16.413 ( 0.503 -2.466 0.000) 2.517 16.529 ( 3.079 0.888 0.000) 3.205 16.778 ( 1.449 -1.978 0.000) 2.452 16.905 ( 3.160 -0.565 0.000) 3.210 18.316 ( 1.079 -3.063 0.000) 3.248 18.479 ( 1.611 0.228 0.000) 1.627 18.860 ( 5.169 -5.390 0.000) 7.468 18.999 ( -3.137 2.597 0.000) 4.073 19.270 ( -2.233 0.605 0.000) 2.314 19.539 ( -8.711 7.999 0.000) 11.827 19.772 ( -2.938 2.449 0.000) 3.824 19.806 ( -3.568 1.025 0.000) 3.712 20.753 ( -0.855 4.018 0.000) 4.108 20.848 ( -1.304 -2.136 0.000) 2.503 20.899 ( -0.496 -2.159 0.000) 2.215 21.331 ( 4.927 -0.734 0.000) 4.981 24.381 ( 0.059 -0.411 0.000) 0.415 24.419 ( 0.056 0.471 0.000) 0.474 25.144 ( 2.305 1.085 0.000) 2.548 25.336 ( -2.093 -5.049 0.000) 5.466 25.872 ( 2.151 -8.304 0.000) 8.578 26.189 ( -1.252 4.265 0.000) 4.445 26.914 ( 1.508 8.363 0.000) 8.498 27.066 ( -2.691 -2.449 0.000) 3.638 27.492 ( -2.014 -11.756 0.000) 11.928 28.183 ( -4.987 15.451 0.000) 16.236 29.414 ( -0.027 -3.268 0.000) 3.268 29.512 ( 1.905 1.107 0.000) 2.203 29.934 ( 0.336 -4.258 0.000) 4.271 30.071 ( 0.198 -9.297 0.000) 9.299 30.521 ( 2.901 4.436 0.000) 5.300 30.616 ( 2.691 9.993 0.000) 10.349 30.625 ( 1.379 1.614 0.000) 2.122 31.035 ( -4.680 -4.179 0.000) 6.274 31.281 ( 2.856 -5.147 0.000) 5.886 31.390 ( 9.978 5.782 0.000) 11.533 32.495 ( 9.270 -23.635 0.000) 25.388 33.867 ( -23.878 26.790 0.000) 35.887 ======================= Grid point 14 (10/100) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 2.998 -3.658 0.000) 4.730 3.478 ( 0.533 1.346 0.000) 1.447 3.546 ( -3.337 7.612 0.000) 8.312 3.635 ( -1.801 8.936 0.000) 9.116 3.745 ( 5.350 -3.880 0.000) 6.609 4.077 ( -1.512 -7.554 0.000) 7.704 4.177 ( -2.536 -1.222 0.000) 2.815 4.371 ( 1.263 0.517 0.000) 1.365 4.474 ( -2.632 0.026 0.000) 2.632 5.166 ( 0.334 -3.160 0.000) 3.178 5.230 ( 0.887 3.057 0.000) 3.183 5.415 ( 0.628 2.268 0.000) 2.353 5.429 ( 2.601 -1.385 0.000) 2.946 5.664 ( -4.560 0.692 0.000) 4.612 5.848 ( -2.396 2.707 0.000) 3.615 5.934 ( 5.936 -5.972 0.000) 8.420 6.082 ( 4.287 11.237 0.000) 12.027 6.124 ( -4.128 -2.674 0.000) 4.918 6.367 ( 0.039 -1.119 0.000) 1.120 6.579 ( -2.256 -3.086 0.000) 3.823 6.674 ( 9.123 0.368 0.000) 9.131 7.207 ( -3.184 0.025 0.000) 3.184 7.257 ( 2.318 2.346 0.000) 3.298 7.417 ( 1.151 0.277 0.000) 1.184 7.433 ( 5.005 -1.616 0.000) 5.259 7.749 ( -3.358 -4.874 0.000) 5.918 8.101 ( -4.008 1.663 0.000) 4.340 8.163 ( 1.594 3.205 0.000) 3.579 8.381 ( -7.626 -6.021 0.000) 9.717 8.648 ( -6.396 -1.014 0.000) 6.475 8.892 ( -3.984 6.801 0.000) 7.882 9.043 ( 8.708 -2.878 0.000) 9.171 9.241 ( 3.254 -1.018 0.000) 3.410 9.542 ( -2.619 3.267 0.000) 4.187 9.995 ( 1.286 1.518 0.000) 1.990 10.478 ( -2.663 -4.934 0.000) 5.606 10.525 ( 1.814 -3.184 0.000) 3.664 10.810 ( 2.658 6.904 0.000) 7.397 10.914 ( -5.616 -3.687 0.000) 6.718 11.141 ( 1.586 0.691 0.000) 1.730 11.162 ( 0.949 2.067 0.000) 2.274 11.284 ( 4.288 2.804 0.000) 5.123 11.457 ( 1.567 -1.605 0.000) 2.243 11.943 ( -5.367 -2.738 0.000) 6.025 11.964 ( -4.130 -2.272 0.000) 4.713 12.703 ( 3.727 0.525 0.000) 3.764 13.193 ( -11.775 -6.947 0.000) 13.672 13.915 ( 8.811 4.804 0.000) 10.036 14.265 ( -4.564 -0.934 0.000) 4.659 14.516 ( -1.837 -1.645 0.000) 2.466 15.202 ( 8.063 5.271 0.000) 9.633 15.535 ( -0.177 -1.085 0.000) 1.099 16.461 ( 1.323 -1.973 0.000) 2.376 16.525 ( 3.325 2.891 0.000) 4.406 16.794 ( -2.434 0.079 0.000) 2.435 16.922 ( 1.460 1.345 0.000) 1.985 18.359 ( -0.080 -1.026 0.000) 1.029 18.473 ( 0.140 1.297 0.000) 1.305 18.873 ( -1.012 5.010 0.000) 5.111 18.998 ( 3.962 -3.754 0.000) 5.459 19.328 ( -4.825 2.346 0.000) 5.365 19.391 ( 0.686 -6.393 0.000) 6.430 19.731 ( -1.455 -0.407 0.000) 1.511 19.782 ( -1.914 -1.391 0.000) 2.366 20.698 ( 0.201 1.264 0.000) 1.280 20.844 ( -2.840 0.039 0.000) 2.840 20.941 ( 1.071 -1.468 0.000) 1.817 21.363 ( 2.673 1.500 0.000) 3.065 24.392 ( 0.015 -0.662 0.000) 0.662 24.408 ( -0.004 0.762 0.000) 0.762 25.141 ( 1.429 1.322 0.000) 1.947 25.370 ( -4.331 -2.732 0.000) 5.121 25.948 ( 3.546 3.500 0.000) 4.982 26.157 ( -2.573 -3.074 0.000) 4.009 26.814 ( 1.685 4.330 0.000) 4.647 27.088 ( -0.925 -2.199 0.000) 2.386 27.720 ( 0.640 -15.553 0.000) 15.566 27.911 ( -2.470 11.874 0.000) 12.128 29.459 ( 0.531 -1.561 0.000) 1.649 29.503 ( 1.284 1.786 0.000) 2.199 30.005 ( 1.367 -2.672 0.000) 3.002 30.231 ( -0.526 -9.243 0.000) 9.258 30.429 ( -3.611 4.688 0.000) 5.917 30.454 ( 1.265 10.824 0.000) 10.897 30.631 ( 3.017 0.986 0.000) 3.174 31.062 ( -4.690 -4.464 0.000) 6.474 31.349 ( 0.705 -0.619 0.000) 0.938 31.372 ( 9.047 7.516 0.000) 11.761 32.956 ( 1.168 -6.860 0.000) 6.959 33.317 ( -8.092 1.158 0.000) 8.174 ======================= Grid point 16 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -10.294 30.282 0.000) 31.984 3.144 ( -9.894 29.464 0.000) 31.081 3.443 ( -2.790 1.616 0.000) 3.225 3.777 ( 4.154 -21.245 0.000) 21.647 4.012 ( 6.764 -7.113 0.000) 9.815 4.153 ( 1.542 -2.296 0.000) 2.765 4.247 ( -0.631 0.931 0.000) 1.125 4.356 ( 0.750 0.839 0.000) 1.125 4.458 ( -3.212 0.115 0.000) 3.214 5.117 ( -1.696 12.291 0.000) 12.407 5.165 ( -0.581 -0.687 0.000) 0.900 5.312 ( 0.047 4.100 0.000) 4.100 5.491 ( -1.181 9.040 0.000) 9.116 5.617 ( 8.677 -8.991 0.000) 12.495 5.648 ( -11.705 1.966 0.000) 11.869 5.978 ( 5.675 4.508 0.000) 7.248 6.104 ( 0.347 -4.787 0.000) 4.800 6.116 ( -4.466 -1.159 0.000) 4.614 6.386 ( -6.957 -3.557 0.000) 7.813 6.595 ( -1.367 -0.213 0.000) 1.383 6.916 ( 22.063 -5.026 0.000) 22.629 7.149 ( -4.883 -0.646 0.000) 4.926 7.267 ( 5.095 2.448 0.000) 5.653 7.440 ( -0.934 -1.821 0.000) 2.046 7.534 ( 6.292 -1.090 0.000) 6.386 7.814 ( -0.434 -5.583 0.000) 5.600 7.967 ( -7.729 1.256 0.000) 7.830 8.135 ( 1.150 2.457 0.000) 2.713 8.348 ( -10.113 0.502 0.000) 10.126 8.730 ( -4.569 5.251 0.000) 6.961 8.839 ( 3.702 -19.066 0.000) 19.422 9.123 ( 4.795 3.690 0.000) 6.051 9.251 ( 3.578 4.002 0.000) 5.369 9.429 ( -6.804 1.161 0.000) 6.902 10.027 ( 1.806 -2.695 0.000) 3.244 10.570 ( 1.123 -5.224 0.000) 5.343 10.587 ( 3.953 -0.750 0.000) 4.024 10.791 ( -0.196 -2.902 0.000) 2.908 11.001 ( -1.315 -9.528 0.000) 9.618 11.138 ( 1.345 4.545 0.000) 4.740 11.213 ( 2.783 -5.627 0.000) 6.278 11.262 ( 5.760 -1.388 0.000) 5.925 11.565 ( 4.364 -4.631 0.000) 6.363 11.947 ( -4.174 -3.086 0.000) 5.190 11.983 ( -3.432 -4.232 0.000) 5.449 12.725 ( 4.859 1.951 0.000) 5.236 13.187 ( -11.463 -5.849 0.000) 12.869 13.881 ( 6.455 8.249 0.000) 10.475 14.233 ( -4.885 -0.930 0.000) 4.973 14.503 ( -2.079 0.693 0.000) 2.192 15.131 ( 3.932 9.646 0.000) 10.417 15.483 ( -2.026 6.042 0.000) 6.373 16.494 ( 2.725 1.617 0.000) 3.169 16.514 ( 2.718 0.701 0.000) 2.807 16.724 ( -5.145 3.536 0.000) 6.243 16.888 ( -0.368 3.085 0.000) 3.107 18.341 ( -0.634 2.642 0.000) 2.717 18.447 ( -0.881 1.204 0.000) 1.492 18.810 ( -1.144 1.904 0.000) 2.221 19.080 ( 2.914 -0.162 0.000) 2.918 19.244 ( -2.092 -2.268 0.000) 3.086 19.603 ( 5.038 -11.268 0.000) 12.343 19.760 ( -0.008 -3.746 0.000) 3.746 19.814 ( -0.346 -3.502 0.000) 3.519 20.721 ( 1.004 -3.094 0.000) 3.253 20.799 ( -4.177 0.940 0.000) 4.281 20.958 ( 1.368 0.785 0.000) 1.578 21.330 ( 0.939 4.417 0.000) 4.516 24.388 ( -0.123 0.786 0.000) 0.795 24.409 ( 0.026 -0.645 0.000) 0.645 25.133 ( 1.479 1.072 0.000) 1.826 25.352 ( -5.413 -1.156 0.000) 5.535 25.859 ( 0.278 7.864 0.000) 7.869 26.198 ( -0.589 -2.559 0.000) 2.626 26.818 ( 1.508 -2.950 0.000) 3.313 27.118 ( 0.387 -1.530 0.000) 1.578 27.708 ( -0.025 9.617 0.000) 9.618 28.036 ( 2.714 -17.582 0.000) 17.791 29.468 ( 0.668 1.705 0.000) 1.831 29.485 ( 0.536 0.728 0.000) 0.904 30.045 ( 3.726 0.976 0.000) 3.852 30.252 ( 0.379 10.558 0.000) 10.564 30.317 ( -7.283 1.687 0.000) 7.476 30.395 ( -1.197 -7.808 0.000) 7.899 30.636 ( 1.532 1.362 0.000) 2.050 31.098 ( -3.683 -4.667 0.000) 5.945 31.310 ( 5.962 8.277 0.000) 10.201 31.315 ( -0.671 4.489 0.000) 4.539 32.590 ( -9.369 21.295 0.000) 23.265 33.829 ( 9.491 -35.946 0.000) 37.178 ======================= Grid point 17 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -8.830 36.944 0.000) 37.984 2.462 ( -8.621 38.841 0.000) 39.786 3.400 ( -2.503 0.117 0.000) 2.506 3.722 ( -8.750 51.593 0.000) 52.330 3.996 ( 0.624 8.786 0.000) 8.808 4.218 ( 6.775 3.868 0.000) 7.801 4.223 ( 2.180 -25.602 0.000) 25.695 4.352 ( -6.290 3.972 0.000) 7.439 4.482 ( 1.108 -12.888 0.000) 12.936 5.102 ( 3.934 -11.683 0.000) 12.328 5.278 ( 1.599 -10.765 0.000) 10.883 5.315 ( 2.799 0.725 0.000) 2.891 5.378 ( -2.947 2.705 0.000) 4.000 5.576 ( -4.651 -2.194 0.000) 5.143 5.839 ( 8.395 -6.152 0.000) 10.408 6.018 ( 9.673 -1.516 0.000) 9.791 6.062 ( -5.914 2.021 0.000) 6.250 6.187 ( -5.075 -7.409 0.000) 8.980 6.360 ( -8.693 -4.204 0.000) 9.656 6.543 ( -1.003 4.776 0.000) 4.880 7.148 ( -2.395 -3.256 0.000) 4.042 7.184 ( 19.669 -1.615 0.000) 19.735 7.291 ( 7.425 1.135 0.000) 7.511 7.436 ( -6.302 -1.526 0.000) 6.484 7.504 ( -7.616 1.978 0.000) 7.869 7.944 ( 2.780 -7.644 0.000) 8.134 7.997 ( 5.997 -2.273 0.000) 6.413 8.072 ( -0.503 4.846 0.000) 4.872 8.195 ( -9.816 4.753 0.000) 10.906 8.669 ( -1.840 -1.848 0.000) 2.608 8.957 ( -1.980 13.646 0.000) 13.789 9.213 ( 2.490 5.471 0.000) 6.011 9.238 ( 3.570 -20.758 0.000) 21.063 9.432 ( -2.660 -5.951 0.000) 6.518 10.100 ( 0.869 -3.724 0.000) 3.824 10.624 ( 7.486 3.773 0.000) 8.383 10.645 ( 3.842 -2.507 0.000) 4.587 10.822 ( -10.981 -2.482 0.000) 11.258 11.154 ( 2.353 -10.255 0.000) 10.521 11.183 ( 0.391 -11.556 0.000) 11.563 11.377 ( 2.214 -9.420 0.000) 9.677 11.437 ( 10.105 -7.883 0.000) 12.816 11.656 ( 0.153 -2.971 0.000) 2.974 11.963 ( -2.477 -2.503 0.000) 3.522 12.036 ( -1.977 -4.991 0.000) 5.368 12.727 ( 3.772 2.892 0.000) 4.753 13.174 ( -7.891 -3.999 0.000) 8.847 13.754 ( 3.824 12.612 0.000) 13.179 14.208 ( -3.147 -1.109 0.000) 3.336 14.442 ( -1.749 5.222 0.000) 5.507 14.968 ( 0.831 11.645 0.000) 11.675 15.313 ( -1.761 10.036 0.000) 10.189 16.473 ( 3.279 4.105 0.000) 5.254 16.529 ( 1.845 1.140 0.000) 2.169 16.598 ( -5.470 3.840 0.000) 6.683 16.817 ( -1.073 4.173 0.000) 4.309 18.268 ( -0.647 4.674 0.000) 4.719 18.411 ( -0.936 1.958 0.000) 2.170 18.750 ( -0.643 4.519 0.000) 4.564 19.050 ( -0.271 2.971 0.000) 2.984 19.404 ( 2.133 -13.872 0.000) 14.035 19.842 ( 4.506 -10.540 0.000) 11.463 19.847 ( 0.609 -5.504 0.000) 5.538 19.888 ( 0.441 -4.907 0.000) 4.927 20.739 ( -3.709 1.201 0.000) 3.899 20.809 ( 1.021 -5.417 0.000) 5.512 20.960 ( 1.093 -0.393 0.000) 1.161 21.234 ( -0.142 7.181 0.000) 7.182 24.376 ( -0.094 0.358 0.000) 0.370 24.418 ( -0.019 -0.313 0.000) 0.314 25.136 ( 2.226 0.964 0.000) 2.426 25.317 ( -3.876 -0.560 0.000) 3.916 25.707 ( -1.566 8.717 0.000) 8.856 26.231 ( -0.061 -1.861 0.000) 1.862 26.923 ( 0.890 -6.925 0.000) 6.982 27.146 ( 0.844 -1.112 0.000) 1.396 27.566 ( 0.932 7.759 0.000) 7.815 28.344 ( 1.748 -14.701 0.000) 14.805 29.435 ( 0.580 2.343 0.000) 2.414 29.483 ( 0.115 -0.345 0.000) 0.364 30.056 ( 6.648 3.290 0.000) 7.417 30.065 ( -0.060 10.684 0.000) 10.684 30.241 ( -8.471 -2.217 0.000) 8.756 30.515 ( -1.239 -7.092 0.000) 7.200 30.607 ( -0.502 2.878 0.000) 2.922 31.153 ( -1.869 -5.077 0.000) 5.410 31.188 ( -1.025 9.201 0.000) 9.258 31.215 ( 2.414 7.453 0.000) 7.834 32.189 ( -3.698 17.953 0.000) 18.329 34.547 ( 6.814 -37.026 0.000) 37.648 ======================= Grid point 18 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 40.304 0.000) 40.304 1.684 ( 0.000 45.796 0.000) 45.796 2.595 ( 0.000 70.309 0.000) 70.309 3.398 ( -0.000 -1.578 0.000) 1.578 3.816 ( 0.000 11.716 0.000) 11.716 4.150 ( 0.000 6.927 0.000) 6.927 4.222 ( 0.000 5.628 0.000) 5.628 4.650 ( -0.000 -22.241 0.000) 22.241 4.768 ( -0.000 -17.972 0.000) 17.972 5.273 ( -0.000 -0.331 0.000) 0.331 5.294 ( 0.000 2.584 0.000) 2.584 5.471 ( -0.000 -17.654 0.000) 17.654 5.512 ( -0.000 -13.918 0.000) 13.918 5.604 ( -0.000 -2.519 0.000) 2.519 5.903 ( 0.000 9.899 0.000) 9.899 5.990 ( -0.000 -3.449 0.000) 3.449 6.220 ( -0.000 -9.936 0.000) 9.936 6.224 ( -0.000 -5.002 0.000) 5.002 6.412 ( -0.000 -6.076 0.000) 6.076 6.436 ( 0.000 6.315 0.000) 6.315 7.200 ( -0.000 -3.291 0.000) 3.291 7.298 ( 0.000 1.812 0.000) 1.812 7.362 ( 0.000 1.220 0.000) 1.220 7.388 ( -0.000 -3.456 0.000) 3.456 7.462 ( -0.000 -5.125 0.000) 5.125 7.954 ( 0.000 5.238 0.000) 5.238 7.968 ( 0.000 10.029 0.000) 10.029 8.093 ( 0.000 1.450 0.000) 1.450 8.136 ( -0.000 -9.319 0.000) 9.319 8.712 ( 0.000 12.355 0.000) 12.355 8.723 ( -0.000 -4.250 0.000) 4.250 9.111 ( 0.000 6.976 0.000) 6.976 9.525 ( -0.000 -5.168 0.000) 5.168 9.550 ( -0.000 -12.557 0.000) 12.557 10.148 ( -0.000 -0.982 0.000) 0.982 10.590 ( 0.000 6.257 0.000) 6.257 10.731 ( 0.000 1.645 0.000) 1.645 10.785 ( -0.000 -11.978 0.000) 11.978 11.381 ( -0.000 -10.754 0.000) 10.754 11.481 ( -0.000 -23.397 0.000) 23.397 11.542 ( -0.000 -7.850 0.000) 7.850 11.660 ( -0.000 -0.017 0.000) 0.017 11.687 ( -0.000 -11.600 0.000) 11.600 11.984 ( -0.000 -1.524 0.000) 1.524 12.108 ( -0.000 -4.457 0.000) 4.457 12.693 ( 0.000 3.472 0.000) 3.472 13.181 ( -0.000 -1.859 0.000) 1.859 13.522 ( 0.000 16.786 0.000) 16.786 14.222 ( -0.000 -2.426 0.000) 2.426 14.252 ( 0.000 15.892 0.000) 15.892 14.767 ( 0.000 11.670 0.000) 11.670 15.173 ( 0.000 4.126 0.000) 4.126 16.404 ( 0.000 5.064 0.000) 5.064 16.493 ( 0.000 4.715 0.000) 4.715 16.537 ( -0.000 -0.325 0.000) 0.325 16.735 ( 0.000 4.464 0.000) 4.464 18.184 ( 0.000 4.393 0.000) 4.393 18.366 ( 0.000 2.499 0.000) 2.499 18.648 ( 0.000 6.494 0.000) 6.494 19.004 ( 0.000 2.167 0.000) 2.167 19.700 ( -0.000 -18.176 0.000) 18.176 19.943 ( -0.000 -5.038 0.000) 5.038 19.977 ( -0.000 -4.752 0.000) 4.752 20.027 ( -0.000 -7.846 0.000) 7.846 20.693 ( 0.000 2.116 0.000) 2.116 20.901 ( -0.000 -4.426 0.000) 4.426 21.010 ( -0.000 -4.569 0.000) 4.569 21.094 ( 0.000 8.453 0.000) 8.453 24.375 ( -0.000 -0.294 0.000) 0.294 24.419 ( 0.000 0.184 0.000) 0.184 25.127 ( 0.000 1.830 0.000) 1.830 25.315 ( -0.000 -1.301 0.000) 1.301 25.554 ( 0.000 7.565 0.000) 7.565 26.262 ( -0.000 -1.934 0.000) 1.934 27.039 ( -0.000 -5.495 0.000) 5.495 27.174 ( -0.000 -1.583 0.000) 1.583 27.454 ( 0.000 6.227 0.000) 6.227 28.548 ( -0.000 -8.385 0.000) 8.385 29.404 ( 0.000 1.742 0.000) 1.742 29.517 ( -0.000 -4.056 0.000) 4.056 29.900 ( 0.000 8.312 0.000) 8.312 30.053 ( 0.000 2.196 0.000) 2.196 30.250 ( -0.000 -4.585 0.000) 4.585 30.531 ( 0.000 5.001 0.000) 5.001 30.612 ( -0.000 -5.003 0.000) 5.003 30.995 ( 0.000 12.196 0.000) 12.196 31.114 ( 0.000 5.400 0.000) 5.400 31.237 ( -0.000 -5.831 0.000) 5.831 31.896 ( 0.000 14.600 0.000) 14.600 35.172 ( -0.000 -30.573 0.000) 30.573 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 40.431 0.000 0.000) 40.431 1.902 ( 42.099 0.000 0.000) 42.099 2.869 ( 65.411 0.000 0.000) 65.411 3.505 ( -1.334 -0.000 0.000) 1.334 3.768 ( 10.321 0.000 0.000) 10.321 4.075 ( 3.243 0.000 0.000) 3.243 4.215 ( 2.872 0.000 0.000) 2.872 4.954 ( -19.942 -0.000 0.000) 19.942 5.003 ( -16.281 -0.000 0.000) 16.281 5.006 ( -14.759 -0.000 0.000) 14.759 5.035 ( -10.826 -0.000 0.000) 10.826 5.243 ( -0.608 -0.000 0.000) 0.608 5.367 ( -6.961 -0.000 0.000) 6.961 5.773 ( -0.957 -0.000 0.000) 0.957 5.829 ( -3.393 -0.000 0.000) 3.393 5.948 ( 1.998 0.000 0.000) 1.998 6.012 ( -2.421 -0.000 0.000) 2.421 6.037 ( -11.528 -0.000 0.000) 11.528 6.507 ( 8.120 0.000 0.000) 8.120 6.958 ( 7.214 0.000 0.000) 7.214 6.984 ( -1.806 -0.000 0.000) 1.806 7.128 ( -8.572 -0.000 0.000) 8.572 7.453 ( -1.988 -0.000 0.000) 1.988 7.600 ( -5.272 -0.000 0.000) 5.272 7.733 ( -5.883 -0.000 0.000) 5.883 7.770 ( -4.656 -0.000 0.000) 4.656 7.798 ( 8.110 0.000 0.000) 8.110 7.931 ( 2.606 0.000 0.000) 2.606 8.248 ( 14.444 0.000 0.000) 14.444 8.751 ( -7.782 -0.000 0.000) 7.782 8.900 ( 1.904 0.000 0.000) 1.904 8.932 ( 11.734 0.000 0.000) 11.734 9.685 ( 3.834 0.000 0.000) 3.834 9.822 ( -23.728 -0.000 0.000) 23.728 10.074 ( -3.213 -0.000 0.000) 3.213 10.348 ( 6.551 0.000 0.000) 6.551 10.602 ( 6.295 0.000 0.000) 6.295 10.798 ( -9.780 -0.000 0.000) 9.780 11.358 ( -13.547 -0.000 0.000) 13.547 11.439 ( 2.514 0.000 0.000) 2.514 11.526 ( -19.774 -0.000 0.000) 19.774 11.555 ( -4.558 -0.000 0.000) 4.558 11.639 ( -13.739 -0.000 0.000) 13.739 11.978 ( -1.449 -0.000 0.000) 1.449 12.129 ( -6.437 -0.000 0.000) 6.437 12.498 ( 0.954 0.000 0.000) 0.954 13.041 ( 1.440 0.000 0.000) 1.440 13.850 ( 2.745 0.000 0.000) 2.745 13.916 ( 16.272 0.000 0.000) 16.272 14.333 ( -6.392 -0.000 0.000) 6.392 15.039 ( 26.686 0.000 0.000) 26.686 15.305 ( 6.334 0.000 0.000) 6.334 16.326 ( -0.139 -0.000 0.000) 0.139 16.388 ( 3.565 0.000 0.000) 3.565 16.763 ( 5.470 0.000 0.000) 5.470 16.810 ( 6.154 0.000 0.000) 6.154 18.174 ( 3.022 0.000 0.000) 3.022 18.425 ( 4.512 0.000 0.000) 4.512 18.553 ( 2.676 0.000 0.000) 2.676 18.939 ( -1.739 -0.000 0.000) 1.739 19.631 ( -13.681 -0.000 0.000) 13.681 19.933 ( -5.408 -0.000 0.000) 5.408 19.936 ( -5.055 -0.000 0.000) 5.055 20.135 ( -8.052 -0.000 0.000) 8.052 20.554 ( 0.433 0.000 0.000) 0.433 20.809 ( -5.362 -0.000 0.000) 5.362 21.026 ( -3.952 -0.000 0.000) 3.952 21.233 ( 9.943 0.000 0.000) 9.943 24.396 ( -0.034 -0.000 0.000) 0.034 24.406 ( 0.096 0.000 0.000) 0.096 24.917 ( 3.043 0.000 0.000) 3.043 25.189 ( 5.054 0.000 0.000) 5.054 25.380 ( -1.221 -0.000 0.000) 1.221 26.468 ( -1.647 -0.000 0.000) 1.647 26.956 ( -4.023 -0.000 0.000) 4.023 27.147 ( 1.380 0.000 0.000) 1.380 27.255 ( 0.270 0.000 0.000) 0.270 29.106 ( -18.959 -0.000 0.000) 18.959 29.171 ( 1.456 0.000 0.000) 1.456 29.449 ( 4.021 0.000 0.000) 4.021 29.780 ( 1.381 0.000 0.000) 1.381 29.898 ( 2.974 0.000 0.000) 2.974 30.439 ( 5.205 0.000 0.000) 5.205 30.762 ( 2.399 0.000 0.000) 2.399 30.892 ( 7.721 0.000 0.000) 7.721 30.948 ( -2.842 -0.000 0.000) 2.842 30.991 ( 8.472 0.000 0.000) 8.472 31.481 ( 1.628 0.000 0.000) 1.628 31.727 ( 10.343 0.000 0.000) 10.343 35.028 ( -32.024 -0.000 0.000) 32.024 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 35.699 -13.612 0.000) 38.206 2.434 ( 34.388 -15.588 0.000) 37.756 3.555 ( -1.294 -6.797 0.000) 6.919 3.608 ( 44.683 -17.013 0.000) 47.812 3.781 ( 6.262 7.070 0.000) 9.445 4.114 ( 2.820 -0.082 0.000) 2.821 4.301 ( 1.029 -6.481 0.000) 6.563 4.607 ( -14.859 12.338 0.000) 19.314 4.716 ( -10.092 11.102 0.000) 15.003 4.863 ( -14.009 2.708 0.000) 14.268 5.041 ( -9.829 -5.929 0.000) 11.479 5.235 ( -2.588 -1.267 0.000) 2.881 5.358 ( -4.794 -5.423 0.000) 7.238 5.785 ( 3.998 -1.642 0.000) 4.322 5.789 ( -3.339 0.932 0.000) 3.467 5.892 ( -3.038 2.734 0.000) 4.087 6.000 ( -4.115 -2.225 0.000) 4.678 6.106 ( -3.788 -11.214 0.000) 11.837 6.561 ( 5.158 2.246 0.000) 5.626 6.876 ( -6.477 16.715 0.000) 17.926 6.942 ( 4.062 7.787 0.000) 8.783 7.005 ( 1.442 -2.962 0.000) 3.295 7.399 ( -0.422 3.182 0.000) 3.210 7.546 ( -8.400 -0.809 0.000) 8.439 7.671 ( -6.120 0.069 0.000) 6.121 7.744 ( 5.616 4.312 0.000) 7.080 7.871 ( -6.702 -5.405 0.000) 8.610 8.007 ( 3.781 -5.875 0.000) 6.987 8.364 ( 12.482 4.770 0.000) 13.362 8.715 ( -3.134 -4.489 0.000) 5.474 8.932 ( 4.017 -1.315 0.000) 4.227 9.079 ( 9.899 -3.305 0.000) 10.436 9.397 ( -22.890 15.270 0.000) 27.516 9.687 ( 1.610 3.447 0.000) 3.804 10.082 ( -1.676 -4.119 0.000) 4.447 10.435 ( 4.306 -0.886 0.000) 4.396 10.619 ( -5.873 10.152 0.000) 11.728 10.814 ( 3.693 -13.705 0.000) 14.194 11.182 ( -14.136 4.053 0.000) 14.706 11.304 ( -15.039 3.960 0.000) 15.552 11.456 ( -3.621 3.028 0.000) 4.720 11.470 ( -4.991 4.077 0.000) 6.444 11.518 ( -6.254 -1.382 0.000) 6.405 11.943 ( -2.185 2.053 0.000) 2.998 12.039 ( -7.269 1.933 0.000) 7.522 12.545 ( -0.413 -4.297 0.000) 4.317 13.045 ( 1.124 0.861 0.000) 1.416 13.993 ( 1.899 -12.396 0.000) 12.540 14.019 ( 14.212 4.622 0.000) 14.945 14.275 ( -6.466 -0.824 0.000) 6.518 15.281 ( 20.952 2.193 0.000) 21.067 15.363 ( 8.576 -0.072 0.000) 8.576 16.336 ( 0.137 -1.401 0.000) 1.407 16.453 ( 3.573 -3.204 0.000) 4.799 16.797 ( 3.952 1.738 0.000) 4.318 16.873 ( 6.140 -0.533 0.000) 6.163 18.220 ( 2.662 -1.861 0.000) 3.248 18.472 ( 3.869 -0.289 0.000) 3.880 18.629 ( 3.626 -5.085 0.000) 6.245 18.938 ( -2.160 -2.177 0.000) 3.067 19.474 ( -10.339 4.080 0.000) 11.115 19.857 ( -5.161 2.045 0.000) 5.552 19.873 ( -5.186 1.611 0.000) 5.430 19.916 ( -8.610 12.476 0.000) 15.159 20.652 ( -0.876 -8.287 0.000) 8.334 20.777 ( -2.578 -1.150 0.000) 2.822 20.959 ( -3.578 3.139 0.000) 4.760 21.322 ( 8.235 0.198 0.000) 8.238 24.387 ( -0.061 0.651 0.000) 0.654 24.416 ( 0.148 -0.587 0.000) 0.605 25.060 ( 2.749 -10.376 0.000) 10.734 25.209 ( 3.719 2.266 0.000) 4.355 25.446 ( -2.595 -9.133 0.000) 9.495 26.406 ( -1.038 4.905 0.000) 5.014 26.945 ( -4.844 -3.393 0.000) 5.914 27.142 ( 1.828 2.737 0.000) 3.291 27.265 ( -0.426 -1.401 0.000) 1.464 28.757 ( -11.289 15.604 0.000) 19.259 29.257 ( -1.573 -5.602 0.000) 5.819 29.509 ( 2.906 -1.556 0.000) 3.296 29.829 ( 1.281 -4.036 0.000) 4.234 29.892 ( 2.980 2.697 0.000) 4.020 30.531 ( 4.855 -3.619 0.000) 6.056 30.748 ( 1.061 3.514 0.000) 3.671 30.905 ( 4.961 5.505 0.000) 7.411 30.938 ( -2.060 -0.943 0.000) 2.265 31.098 ( 7.563 -3.111 0.000) 8.178 31.505 ( 5.613 0.018 0.000) 5.613 31.915 ( 10.950 -8.464 0.000) 13.840 34.589 ( -33.400 12.335 0.000) 35.605 ======================= Grid point 23 (16/100) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 26.864 -13.490 0.000) 30.061 3.036 ( 24.593 -18.992 0.000) 31.073 3.675 ( -0.868 -1.931 0.000) 2.117 3.714 ( 1.138 -1.918 0.000) 2.230 3.954 ( -8.047 2.930 0.000) 8.564 4.096 ( 0.300 5.111 0.000) 5.120 4.362 ( -11.828 5.947 0.000) 13.239 4.401 ( -2.369 -4.988 0.000) 5.522 4.473 ( -5.379 7.139 0.000) 8.938 4.850 ( 17.137 -7.340 0.000) 18.643 5.076 ( -2.676 -6.471 0.000) 7.002 5.289 ( 5.228 -5.922 0.000) 7.900 5.423 ( -3.377 -6.480 0.000) 7.307 5.705 ( -2.509 6.360 0.000) 6.837 5.823 ( 0.413 2.292 0.000) 2.329 5.911 ( 9.014 -2.928 0.000) 9.478 6.004 ( -4.987 -3.449 0.000) 6.064 6.269 ( -3.841 -11.447 0.000) 12.074 6.531 ( -4.338 15.504 0.000) 16.099 6.534 ( 0.160 2.815 0.000) 2.819 6.809 ( 0.853 9.506 0.000) 9.544 7.105 ( 3.696 -4.841 0.000) 6.090 7.361 ( 0.957 2.403 0.000) 2.587 7.459 ( -7.677 0.684 0.000) 7.707 7.623 ( -5.002 -1.155 0.000) 5.134 7.641 ( 7.000 13.551 0.000) 15.253 7.930 ( -2.704 -7.432 0.000) 7.909 8.177 ( -1.541 -10.872 0.000) 10.980 8.323 ( 1.514 6.014 0.000) 6.202 8.839 ( 7.302 -5.684 0.000) 9.254 8.917 ( -24.174 13.600 0.000) 27.737 9.022 ( 4.612 -2.993 0.000) 5.498 9.211 ( 8.416 -0.705 0.000) 8.445 9.617 ( -2.152 3.070 0.000) 3.749 10.143 ( 2.324 0.257 0.000) 2.339 10.421 ( -3.011 4.498 0.000) 5.413 10.453 ( 1.323 1.828 0.000) 2.257 10.965 ( -12.751 4.908 0.000) 13.663 11.047 ( 2.585 -3.464 0.000) 4.322 11.112 ( -8.039 -1.213 0.000) 8.130 11.319 ( -2.637 5.799 0.000) 6.371 11.337 ( -3.633 5.828 0.000) 6.868 11.529 ( 1.335 0.328 0.000) 1.375 11.876 ( -5.421 0.767 0.000) 5.475 11.939 ( -7.260 1.213 0.000) 7.361 12.621 ( -1.112 -5.361 0.000) 5.475 13.037 ( -1.419 0.045 0.000) 1.419 14.060 ( 10.816 4.730 0.000) 11.806 14.217 ( -2.629 -4.115 0.000) 4.883 14.262 ( -2.841 -11.211 0.000) 11.565 15.340 ( 9.141 3.995 0.000) 9.976 15.494 ( 11.754 0.683 0.000) 11.774 16.376 ( 0.647 -2.593 0.000) 2.672 16.549 ( 3.730 -3.048 0.000) 4.816 16.790 ( 1.405 1.903 0.000) 2.366 16.937 ( 4.660 -0.273 0.000) 4.668 18.280 ( 1.539 -2.531 0.000) 2.962 18.503 ( 2.281 0.354 0.000) 2.308 18.784 ( 4.380 -7.715 0.000) 8.871 18.972 ( -1.325 -3.615 0.000) 3.850 19.304 ( -5.063 6.168 0.000) 7.980 19.612 ( -9.366 11.605 0.000) 14.912 19.776 ( -4.110 1.874 0.000) 4.517 19.790 ( -4.320 2.071 0.000) 4.791 20.763 ( -1.783 -5.747 0.000) 6.017 20.791 ( 0.121 -0.363 0.000) 0.382 20.874 ( -2.037 1.726 0.000) 2.670 21.386 ( 5.872 0.460 0.000) 5.890 24.379 ( -0.046 0.165 0.000) 0.171 24.424 ( 0.131 -0.088 0.000) 0.158 25.202 ( 3.427 2.167 0.000) 4.055 25.236 ( 0.994 -6.010 0.000) 6.092 25.628 ( -3.803 -15.794 0.000) 16.246 26.299 ( 0.080 6.779 0.000) 6.780 26.968 ( -3.908 -4.167 0.000) 5.713 27.077 ( 1.934 7.028 0.000) 7.289 27.314 ( -1.403 -6.008 0.000) 6.170 28.396 ( -7.031 15.516 0.000) 17.034 29.339 ( -0.393 -5.130 0.000) 5.145 29.545 ( 2.158 0.261 0.000) 2.174 29.900 ( 2.469 -0.741 0.000) 2.578 29.935 ( 0.771 -6.972 0.000) 7.014 30.613 ( 3.829 0.811 0.000) 3.914 30.676 ( -0.011 3.971 0.000) 3.971 30.812 ( 3.105 9.488 0.000) 9.983 30.941 ( -3.076 -2.459 0.000) 3.938 31.229 ( 4.550 -4.634 0.000) 6.495 31.573 ( 10.238 2.292 0.000) 10.492 32.227 ( 9.550 -16.570 0.000) 19.125 33.999 ( -29.342 19.094 0.000) 35.007 ======================= Grid point 24 (17/100) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 12.370 -9.564 0.000) 15.636 3.487 ( 9.434 -7.149 0.000) 11.837 3.635 ( 5.249 -2.268 0.000) 5.718 3.724 ( -4.707 12.859 0.000) 13.693 3.851 ( -4.014 -4.620 0.000) 6.121 3.940 ( -1.157 6.518 0.000) 6.620 4.120 ( -12.054 2.136 0.000) 12.242 4.382 ( -0.396 0.623 0.000) 0.738 4.429 ( -3.851 -2.020 0.000) 4.348 5.094 ( 3.050 -6.521 0.000) 7.199 5.212 ( 2.995 -7.878 0.000) 8.428 5.398 ( -6.071 -2.155 0.000) 6.442 5.527 ( -1.158 10.580 0.000) 10.643 5.602 ( 6.910 -5.393 0.000) 8.765 5.837 ( 5.536 -3.411 0.000) 6.503 6.017 ( -4.934 -3.737 0.000) 6.190 6.028 ( 8.704 2.621 0.000) 9.090 6.271 ( -0.866 10.040 0.000) 10.077 6.412 ( 4.786 -0.881 0.000) 4.866 6.509 ( -1.684 -1.351 0.000) 2.159 6.706 ( 1.669 -1.795 0.000) 2.451 7.190 ( 0.060 -0.198 0.000) 0.207 7.309 ( 0.508 1.661 0.000) 1.737 7.419 ( -1.398 -0.582 0.000) 1.514 7.518 ( 6.899 6.990 0.000) 9.821 7.626 ( -3.534 -4.353 0.000) 5.607 8.024 ( -3.238 -4.970 0.000) 5.932 8.236 ( -0.375 4.310 0.000) 4.326 8.290 ( -3.169 -0.704 0.000) 3.247 8.512 ( -19.960 1.583 0.000) 20.023 8.990 ( 5.404 1.120 0.000) 5.519 9.070 ( 4.669 -0.595 0.000) 4.706 9.263 ( 4.165 0.546 0.000) 4.201 9.569 ( -1.854 1.386 0.000) 2.315 10.078 ( 1.687 6.520 0.000) 6.734 10.423 ( -0.845 0.848 0.000) 1.197 10.454 ( 0.856 -6.316 0.000) 6.374 10.806 ( -8.603 -0.027 0.000) 8.603 10.922 ( -3.120 5.418 0.000) 6.253 11.194 ( 3.203 2.149 0.000) 3.857 11.220 ( -1.293 4.493 0.000) 4.675 11.320 ( 4.966 -6.109 0.000) 7.873 11.498 ( 1.679 5.281 0.000) 5.542 11.828 ( -6.626 -2.574 0.000) 7.109 11.869 ( -6.872 -1.642 0.000) 7.066 12.709 ( 1.392 -4.950 0.000) 5.142 13.010 ( -5.565 -0.945 0.000) 5.644 14.072 ( 7.143 4.256 0.000) 8.315 14.195 ( -4.963 -1.230 0.000) 5.113 14.439 ( -0.337 -7.093 0.000) 7.101 15.372 ( 8.315 2.753 0.000) 8.759 15.534 ( 2.653 2.450 0.000) 3.612 16.432 ( 1.055 -2.842 0.000) 3.031 16.609 ( 4.591 1.160 0.000) 4.735 16.768 ( -2.196 0.272 0.000) 2.213 16.965 ( 2.521 1.260 0.000) 2.818 18.330 ( 0.301 -2.099 0.000) 2.121 18.503 ( 0.809 1.432 0.000) 1.645 18.922 ( -0.768 -2.372 0.000) 2.493 19.012 ( 6.697 1.078 0.000) 6.784 19.237 ( -1.445 -5.067 0.000) 5.269 19.363 ( -9.014 6.386 0.000) 11.047 19.717 ( -2.368 1.023 0.000) 2.580 19.738 ( -2.862 -0.478 0.000) 2.902 20.743 ( -0.200 3.629 0.000) 3.634 20.807 ( -2.145 -1.736 0.000) 2.759 20.906 ( 0.894 -3.597 0.000) 3.706 21.418 ( 3.385 1.238 0.000) 3.604 24.381 ( -0.018 -0.468 0.000) 0.468 24.420 ( 0.060 0.565 0.000) 0.568 25.192 ( 2.408 2.250 0.000) 3.295 25.291 ( -2.436 -1.928 0.000) 3.107 25.874 ( -0.942 -14.205 0.000) 14.237 26.182 ( 0.206 7.062 0.000) 7.065 26.948 ( 1.585 8.188 0.000) 8.340 27.018 ( -1.941 -3.892 0.000) 4.349 27.461 ( -1.061 -12.938 0.000) 12.982 28.100 ( -3.170 13.215 0.000) 13.590 29.419 ( 0.385 -3.947 0.000) 3.966 29.546 ( 1.274 1.540 0.000) 1.998 29.961 ( 1.879 -3.512 0.000) 3.983 30.074 ( 0.141 -8.544 0.000) 8.545 30.516 ( -1.826 8.017 0.000) 8.222 30.657 ( 1.465 10.997 0.000) 11.095 30.679 ( 2.786 0.608 0.000) 2.851 30.961 ( -2.698 -3.231 0.000) 4.209 31.328 ( 1.796 -2.961 0.000) 3.463 31.597 ( 9.774 6.965 0.000) 12.002 32.670 ( 8.358 -24.311 0.000) 25.708 33.407 ( -21.106 19.583 0.000) 28.792 ======================= Grid point 25 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -2.738 15.913 0.000) 16.147 3.472 ( -0.455 4.236 0.000) 4.260 3.539 ( -3.433 22.512 0.000) 22.773 3.549 ( 1.503 -4.501 0.000) 4.746 3.910 ( 6.512 -11.628 0.000) 13.327 4.047 ( -1.752 -8.095 0.000) 8.282 4.147 ( -0.590 -9.389 0.000) 9.407 4.394 ( 0.806 -0.125 0.000) 0.816 4.419 ( -2.155 -0.982 0.000) 2.369 5.199 ( 3.731 -1.448 0.000) 4.002 5.229 ( -0.351 7.659 0.000) 7.667 5.325 ( -8.088 0.096 0.000) 8.088 5.520 ( 4.214 -9.178 0.000) 10.099 5.613 ( 0.720 3.807 0.000) 3.875 5.792 ( -1.953 20.051 0.000) 20.146 6.026 ( 3.144 -3.360 0.000) 4.602 6.033 ( -3.679 -3.039 0.000) 4.772 6.141 ( -1.088 4.197 0.000) 4.336 6.347 ( -0.395 7.817 0.000) 7.827 6.542 ( -1.075 -3.520 0.000) 3.680 7.024 ( 21.099 -13.500 0.000) 25.048 7.127 ( -2.725 2.576 0.000) 3.750 7.340 ( 4.324 0.045 0.000) 4.325 7.415 ( -1.664 -0.132 0.000) 1.669 7.520 ( -1.225 -0.343 0.000) 1.272 7.693 ( -1.723 -6.279 0.000) 6.511 7.931 ( -7.970 4.278 0.000) 9.045 8.180 ( 0.222 2.060 0.000) 2.072 8.201 ( -8.259 -2.650 0.000) 8.674 8.583 ( -0.544 -13.714 0.000) 13.724 8.852 ( -0.585 11.358 0.000) 11.373 9.197 ( 6.369 -2.976 0.000) 7.030 9.295 ( 0.972 -1.128 0.000) 1.489 9.462 ( -3.961 8.444 0.000) 9.327 10.024 ( 1.052 1.071 0.000) 1.502 10.446 ( -0.721 -5.168 0.000) 5.218 10.571 ( 1.938 -4.743 0.000) 5.124 10.821 ( -3.002 -8.000 0.000) 8.545 10.835 ( 0.108 3.655 0.000) 3.657 11.177 ( 0.449 -0.406 0.000) 0.605 11.208 ( 3.631 0.151 0.000) 3.634 11.358 ( 2.587 7.791 0.000) 8.210 11.507 ( 2.216 -6.135 0.000) 6.523 11.838 ( -3.408 -4.339 0.000) 5.517 11.864 ( -4.831 -4.388 0.000) 6.527 12.808 ( 6.790 -0.648 0.000) 6.821 12.972 ( -9.946 -4.696 0.000) 10.999 14.047 ( 3.684 5.290 0.000) 6.446 14.173 ( -3.200 -1.040 0.000) 3.365 14.494 ( -0.477 -0.680 0.000) 0.831 15.348 ( 5.454 9.593 0.000) 11.035 15.511 ( -1.939 -0.189 0.000) 1.948 16.488 ( 0.973 -2.410 0.000) 2.599 16.608 ( 4.584 3.680 0.000) 5.879 16.723 ( -4.259 1.668 0.000) 4.574 16.943 ( 0.561 2.971 0.000) 3.024 18.354 ( -0.201 -0.548 0.000) 0.584 18.473 ( -0.037 2.272 0.000) 2.272 18.858 ( -0.256 4.700 0.000) 4.707 19.098 ( 5.300 -2.104 0.000) 5.702 19.210 ( -5.790 2.631 0.000) 6.360 19.419 ( 0.918 -13.312 0.000) 13.344 19.706 ( -0.774 -1.777 0.000) 1.938 19.749 ( -1.070 -2.880 0.000) 3.072 20.705 ( 0.288 0.553 0.000) 0.624 20.789 ( -1.877 1.129 0.000) 2.190 20.964 ( 0.819 -1.620 0.000) 1.815 21.406 ( 1.284 2.951 0.000) 3.218 24.392 ( -0.026 -0.572 0.000) 0.572 24.408 ( 0.014 0.756 0.000) 0.756 25.177 ( 1.976 1.934 0.000) 2.765 25.279 ( -3.861 -1.030 0.000) 3.996 26.016 ( 3.182 5.832 0.000) 6.644 26.102 ( -2.844 -5.612 0.000) 6.292 26.843 ( 0.881 4.388 0.000) 4.476 27.074 ( -0.363 -3.507 0.000) 3.525 27.732 ( 0.405 -18.522 0.000) 18.526 27.878 ( -0.854 10.657 0.000) 10.691 29.474 ( 0.612 -1.700 0.000) 1.807 29.520 ( 0.372 2.249 0.000) 2.280 30.044 ( 1.877 -3.841 0.000) 4.275 30.223 ( -0.214 -8.659 0.000) 8.662 30.351 ( -3.097 7.988 0.000) 8.567 30.472 ( 0.459 11.600 0.000) 11.609 30.680 ( 1.425 1.665 0.000) 2.192 30.999 ( -1.633 -3.847 0.000) 4.179 31.358 ( 0.245 0.735 0.000) 0.774 31.524 ( 4.996 9.834 0.000) 11.030 32.856 ( -5.870 18.665 0.000) 19.566 33.293 ( 1.582 -31.896 0.000) 31.935 ======================= Grid point 26 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 32.812 0.000) 32.812 3.040 ( 0.000 32.503 0.000) 32.503 3.412 ( 0.000 2.456 0.000) 2.456 3.819 ( -0.000 -21.669 0.000) 21.669 4.090 ( 0.000 1.294 0.000) 1.294 4.165 ( -0.000 -13.124 0.000) 13.124 4.234 ( 0.000 7.177 0.000) 7.177 4.378 ( 0.000 3.750 0.000) 3.750 4.405 ( 0.000 0.504 0.000) 0.504 5.103 ( 0.000 11.104 0.000) 11.104 5.161 ( -0.000 -1.946 0.000) 1.946 5.342 ( -0.000 -2.857 0.000) 2.857 5.432 ( 0.000 11.798 0.000) 11.798 5.549 ( 0.000 2.611 0.000) 2.611 5.731 ( -0.000 -10.738 0.000) 10.738 6.046 ( -0.000 -0.595 0.000) 0.595 6.085 ( 0.000 0.489 0.000) 0.489 6.106 ( -0.000 -0.003 0.000) 0.003 6.243 ( -0.000 -0.342 0.000) 0.342 6.578 ( -0.000 -0.427 0.000) 0.427 7.095 ( -0.000 -0.745 0.000) 0.745 7.358 ( -0.000 -5.299 0.000) 5.299 7.373 ( 0.000 0.226 0.000) 0.226 7.378 ( 0.000 1.435 0.000) 1.435 7.397 ( 0.000 4.384 0.000) 4.384 7.807 ( -0.000 -8.003 0.000) 8.003 7.965 ( -0.000 -7.495 0.000) 7.495 8.150 ( 0.000 2.729 0.000) 2.729 8.163 ( 0.000 1.108 0.000) 1.108 8.686 ( 0.000 5.972 0.000) 5.972 8.885 ( -0.000 -20.781 0.000) 20.781 9.197 ( 0.000 12.764 0.000) 12.764 9.294 ( 0.000 2.830 0.000) 2.830 9.327 ( -0.000 -3.648 0.000) 3.648 10.047 ( -0.000 -2.626 0.000) 2.626 10.586 ( -0.000 -10.822 0.000) 10.822 10.636 ( -0.000 -1.706 0.000) 1.706 10.772 ( 0.000 4.096 0.000) 4.096 10.983 ( -0.000 -11.490 0.000) 11.490 11.160 ( 0.000 5.898 0.000) 5.898 11.243 ( -0.000 -6.599 0.000) 6.599 11.360 ( -0.000 -5.698 0.000) 5.698 11.604 ( -0.000 -3.694 0.000) 3.694 11.897 ( -0.000 -3.656 0.000) 3.656 11.926 ( -0.000 -5.947 0.000) 5.947 12.808 ( 0.000 3.751 0.000) 3.751 13.032 ( -0.000 -7.317 0.000) 7.317 13.952 ( 0.000 8.303 0.000) 8.303 14.173 ( -0.000 -0.948 0.000) 0.948 14.482 ( 0.000 1.342 0.000) 1.342 15.180 ( 0.000 11.937 0.000) 11.937 15.458 ( 0.000 6.298 0.000) 6.298 16.524 ( -0.000 -0.706 0.000) 0.706 16.580 ( 0.000 2.827 0.000) 2.827 16.635 ( 0.000 4.744 0.000) 4.744 16.883 ( 0.000 3.992 0.000) 3.992 18.334 ( 0.000 2.900 0.000) 2.900 18.437 ( 0.000 1.704 0.000) 1.704 18.800 ( 0.000 2.310 0.000) 2.310 19.104 ( 0.000 3.464 0.000) 3.464 19.229 ( -0.000 -7.550 0.000) 7.550 19.658 ( -0.000 -13.147 0.000) 13.147 19.759 ( -0.000 -4.561 0.000) 4.561 19.808 ( -0.000 -4.389 0.000) 4.389 20.732 ( -0.000 -3.471 0.000) 3.471 20.749 ( 0.000 1.932 0.000) 1.932 20.974 ( 0.000 0.662 0.000) 0.662 21.342 ( 0.000 5.229 0.000) 5.229 24.386 ( 0.000 0.810 0.000) 0.810 24.409 ( -0.000 -0.609 0.000) 0.609 25.165 ( 0.000 0.958 0.000) 0.958 25.272 ( -0.000 -1.082 0.000) 1.082 25.868 ( 0.000 10.077 0.000) 10.077 26.189 ( -0.000 -3.650 0.000) 3.650 26.835 ( -0.000 -2.961 0.000) 2.961 27.122 ( -0.000 -2.158 0.000) 2.158 27.708 ( 0.000 8.821 0.000) 8.821 28.065 ( -0.000 -18.822 0.000) 18.822 29.480 ( 0.000 2.505 0.000) 2.505 29.488 ( 0.000 0.225 0.000) 0.225 30.123 ( -0.000 -3.587 0.000) 3.587 30.200 ( 0.000 6.725 0.000) 6.725 30.256 ( 0.000 10.725 0.000) 10.725 30.383 ( -0.000 -7.104 0.000) 7.104 30.652 ( 0.000 2.337 0.000) 2.337 31.062 ( -0.000 -4.484 0.000) 4.484 31.308 ( 0.000 5.179 0.000) 5.179 31.377 ( 0.000 9.671 0.000) 9.671 32.488 ( 0.000 19.413 0.000) 19.413 33.925 ( -0.000 -38.254 0.000) 38.254 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 38.862 0.000 0.000) 38.862 2.631 ( 31.282 0.000 0.000) 31.282 3.490 ( -0.453 -0.000 0.000) 0.453 3.849 ( 24.539 0.000 0.000) 24.539 3.910 ( 3.539 0.000 0.000) 3.539 4.136 ( 2.582 0.000 0.000) 2.582 4.238 ( -0.577 -0.000 0.000) 0.577 4.458 ( -29.092 -0.000 0.000) 29.092 4.731 ( -12.412 -0.000 0.000) 12.412 4.878 ( -4.709 -0.000 0.000) 4.709 4.909 ( 15.869 0.000 0.000) 15.869 5.150 ( -9.255 -0.000 0.000) 9.255 5.284 ( -0.702 -0.000 0.000) 0.702 5.748 ( -1.028 -0.000 0.000) 1.028 5.757 ( -3.309 -0.000 0.000) 3.309 5.902 ( -3.163 -0.000 0.000) 3.163 5.938 ( -4.414 -0.000 0.000) 4.414 6.041 ( 7.628 0.000 0.000) 7.628 6.643 ( 5.134 0.000 0.000) 5.134 7.005 ( 3.790 0.000 0.000) 3.790 7.008 ( -3.303 -0.000 0.000) 3.303 7.039 ( 0.279 0.000 0.000) 0.279 7.425 ( -0.744 -0.000 0.000) 0.744 7.442 ( -8.964 -0.000 0.000) 8.964 7.609 ( -6.263 -0.000 0.000) 6.263 7.658 ( -6.218 -0.000 0.000) 6.218 7.746 ( -7.022 -0.000 0.000) 7.022 8.118 ( 10.288 0.000 0.000) 10.288 8.568 ( -9.046 -0.000 0.000) 9.046 8.611 ( 19.790 0.000 0.000) 19.790 8.973 ( 4.424 0.000 0.000) 4.424 9.131 ( 8.066 0.000 0.000) 8.066 9.281 ( -29.364 -0.000 0.000) 29.364 9.755 ( 2.894 0.000 0.000) 2.894 9.996 ( -4.567 -0.000 0.000) 4.567 10.476 ( 6.025 0.000 0.000) 6.025 10.672 ( -3.257 -0.000 0.000) 3.257 10.711 ( 3.728 0.000 0.000) 3.728 11.074 ( -14.324 -0.000 0.000) 14.324 11.187 ( -13.776 -0.000 0.000) 13.776 11.405 ( -8.615 -0.000 0.000) 8.615 11.452 ( -5.368 -0.000 0.000) 5.368 11.495 ( 2.944 0.000 0.000) 2.944 11.953 ( -1.002 -0.000 0.000) 1.002 11.985 ( -7.656 -0.000 0.000) 7.656 12.513 ( 0.530 0.000 0.000) 0.530 13.076 ( 1.887 0.000 0.000) 1.887 13.900 ( 2.235 0.000 0.000) 2.235 14.187 ( 10.747 0.000 0.000) 10.747 14.207 ( -5.937 -0.000 0.000) 5.937 15.429 ( 5.974 0.000 0.000) 5.974 15.525 ( 20.772 0.000 0.000) 20.772 16.324 ( 0.004 0.000 0.000) 0.004 16.457 ( 3.203 0.000 0.000) 3.203 16.846 ( 2.768 0.000 0.000) 2.768 16.932 ( 5.752 0.000 0.000) 5.752 18.230 ( 2.431 0.000 0.000) 2.431 18.509 ( 3.591 0.000 0.000) 3.591 18.622 ( 4.187 0.000 0.000) 4.187 18.890 ( -3.303 -0.000 0.000) 3.303 19.415 ( -7.745 -0.000 0.000) 7.745 19.828 ( -4.868 -0.000 0.000) 4.868 19.835 ( -4.756 -0.000 0.000) 4.756 19.950 ( -9.903 -0.000 0.000) 9.903 20.563 ( 0.360 0.000 0.000) 0.360 20.742 ( -1.503 -0.000 0.000) 1.503 20.953 ( -3.165 -0.000 0.000) 3.165 21.398 ( 6.594 0.000 0.000) 6.594 24.396 ( -0.012 -0.000 0.000) 0.012 24.408 ( 0.085 0.000 0.000) 0.085 24.991 ( 4.249 0.000 0.000) 4.249 25.291 ( 4.914 0.000 0.000) 4.914 25.331 ( -3.543 -0.000 0.000) 3.543 26.433 ( -1.692 -0.000 0.000) 1.692 26.866 ( -4.725 -0.000 0.000) 4.725 27.180 ( 1.902 0.000 0.000) 1.902 27.262 ( 0.431 0.000 0.000) 0.431 28.757 ( -15.448 -0.000 0.000) 15.448 29.201 ( 1.433 0.000 0.000) 1.433 29.532 ( 3.978 0.000 0.000) 3.978 29.808 ( 1.301 0.000 0.000) 1.301 29.955 ( 2.688 0.000 0.000) 2.688 30.532 ( 3.946 0.000 0.000) 3.946 30.786 ( 0.437 0.000 0.000) 0.437 30.895 ( -2.405 -0.000 0.000) 2.405 31.031 ( 5.827 0.000 0.000) 5.827 31.148 ( 6.789 0.000 0.000) 6.789 31.510 ( 1.263 0.000 0.000) 1.263 31.999 ( 16.897 0.000 0.000) 16.897 34.351 ( -34.659 -0.000 0.000) 34.659 ======================= Grid point 32 (21/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 34.211 -5.852 0.000) 34.708 3.010 ( 23.196 -11.490 0.000) 25.885 3.530 ( -1.811 -5.387 0.000) 5.683 3.846 ( 0.864 7.617 0.000) 7.666 3.915 ( -7.726 2.989 0.000) 8.284 4.162 ( 1.966 1.050 0.000) 2.229 4.213 ( -22.875 -2.982 0.000) 23.069 4.279 ( -2.802 -5.458 0.000) 6.135 4.538 ( -7.283 7.391 0.000) 10.376 4.926 ( -2.341 -7.304 0.000) 7.671 4.982 ( 5.274 4.149 0.000) 6.711 5.230 ( 10.536 -5.222 0.000) 11.759 5.328 ( 5.947 -5.418 0.000) 8.045 5.730 ( -2.291 0.415 0.000) 2.328 5.838 ( -0.416 -8.262 0.000) 8.273 5.870 ( 0.009 -0.586 0.000) 0.586 5.913 ( -3.954 -1.814 0.000) 4.350 6.153 ( 11.078 -2.404 0.000) 11.336 6.631 ( 2.103 5.534 0.000) 5.920 6.792 ( -1.886 17.370 0.000) 17.472 6.955 ( -3.596 6.865 0.000) 7.750 7.080 ( 5.507 -3.096 0.000) 6.317 7.366 ( -7.511 -1.274 0.000) 7.618 7.405 ( -0.649 1.883 0.000) 1.992 7.560 ( -4.710 -0.780 0.000) 4.774 7.720 ( -7.117 -4.271 0.000) 8.300 7.777 ( -2.521 -13.920 0.000) 14.147 8.125 ( 7.988 7.130 0.000) 10.708 8.424 ( -3.607 6.013 0.000) 7.012 8.850 ( 13.187 -4.339 0.000) 13.883 8.887 ( -25.841 11.613 0.000) 28.330 9.017 ( 3.704 -1.628 0.000) 4.046 9.252 ( 7.353 -4.646 0.000) 8.698 9.676 ( -2.753 7.748 0.000) 8.223 10.061 ( -0.440 -8.794 0.000) 8.805 10.518 ( 3.594 2.084 0.000) 4.155 10.556 ( -1.074 9.919 0.000) 9.977 10.868 ( 0.494 -13.891 0.000) 13.900 10.914 ( -11.664 3.205 0.000) 12.096 11.055 ( -8.357 1.994 0.000) 8.592 11.335 ( -3.980 1.215 0.000) 4.162 11.376 ( -4.018 3.089 0.000) 5.068 11.538 ( 3.211 -1.472 0.000) 3.533 11.872 ( -6.617 3.959 0.000) 7.711 11.923 ( -2.200 2.532 0.000) 3.354 12.538 ( -0.331 -2.548 0.000) 2.570 13.074 ( 1.489 2.093 0.000) 2.568 14.025 ( 1.238 -11.352 0.000) 11.420 14.160 ( -4.644 -0.645 0.000) 4.688 14.234 ( 7.469 4.357 0.000) 8.647 15.457 ( 4.475 2.505 0.000) 5.128 15.675 ( 13.810 3.108 0.000) 14.156 16.341 ( 0.240 -1.827 0.000) 1.843 16.517 ( 2.540 -3.414 0.000) 4.255 16.846 ( 1.178 2.328 0.000) 2.609 16.982 ( 4.338 0.072 0.000) 4.338 18.262 ( 1.541 -1.345 0.000) 2.045 18.534 ( 2.253 0.530 0.000) 2.314 18.712 ( 4.635 -5.221 0.000) 6.981 18.882 ( -3.440 -3.285 0.000) 4.756 19.335 ( -3.611 2.437 0.000) 4.357 19.739 ( -8.361 11.980 0.000) 14.609 19.767 ( -3.591 1.697 0.000) 3.972 19.783 ( -3.529 1.334 0.000) 3.773 20.637 ( -0.542 -6.744 0.000) 6.766 20.757 ( 0.136 -2.480 0.000) 2.484 20.901 ( -2.077 2.696 0.000) 3.403 21.448 ( 4.403 0.572 0.000) 4.440 24.386 ( -0.047 0.679 0.000) 0.681 24.418 ( 0.102 -0.624 0.000) 0.632 25.131 ( 4.213 -9.244 0.000) 10.159 25.271 ( 1.282 1.882 0.000) 2.277 25.383 ( -2.745 -6.104 0.000) 6.693 26.385 ( -0.920 3.681 0.000) 3.794 26.857 ( -3.640 -3.682 0.000) 5.177 27.178 ( 1.530 2.628 0.000) 3.041 27.263 ( 0.175 -0.105 0.000) 0.204 28.536 ( -9.299 9.485 0.000) 13.283 29.252 ( 0.375 -4.147 0.000) 4.164 29.568 ( 2.538 -0.052 0.000) 2.539 29.852 ( 0.886 -3.729 0.000) 3.833 29.948 ( 2.318 2.615 0.000) 3.494 30.607 ( 2.760 -3.860 0.000) 4.746 30.753 ( -0.184 4.004 0.000) 4.008 30.883 ( -1.844 -1.104 0.000) 2.150 30.998 ( 2.949 8.028 0.000) 8.552 31.220 ( 4.469 -1.808 0.000) 4.821 31.599 ( 3.475 -6.828 0.000) 7.662 32.189 ( 15.712 -2.908 0.000) 15.979 33.946 ( -29.233 9.181 0.000) 30.641 ======================= Grid point 33 (22/100) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 17.221 0.315 0.000) 17.224 3.425 ( 14.430 -13.480 0.000) 19.747 3.615 ( -5.234 -7.582 0.000) 9.213 3.730 ( 0.158 4.554 0.000) 4.557 3.799 ( -4.195 -1.928 0.000) 4.617 4.020 ( -15.726 4.372 0.000) 16.323 4.103 ( 0.424 7.988 0.000) 7.999 4.336 ( -3.053 -4.402 0.000) 5.357 4.396 ( -1.961 2.919 0.000) 3.517 5.009 ( -0.163 -4.969 0.000) 4.972 5.067 ( 0.541 -10.055 0.000) 10.070 5.301 ( -2.118 -2.143 0.000) 3.013 5.600 ( 12.215 -6.928 0.000) 14.043 5.669 ( -0.983 5.723 0.000) 5.806 5.851 ( 2.393 -0.392 0.000) 2.425 5.920 ( -2.688 -2.865 0.000) 3.929 6.016 ( -4.434 -9.677 0.000) 10.645 6.372 ( 15.857 -7.157 0.000) 17.397 6.490 ( 0.850 15.435 0.000) 15.459 6.534 ( -0.040 5.339 0.000) 5.340 6.775 ( -5.145 8.502 0.000) 9.937 7.194 ( 4.965 -2.592 0.000) 5.601 7.304 ( -6.032 0.146 0.000) 6.034 7.390 ( 0.212 -0.435 0.000) 0.484 7.546 ( -2.302 -1.871 0.000) 2.966 7.676 ( -3.422 2.260 0.000) 4.101 7.988 ( 7.637 -4.755 0.000) 8.996 8.146 ( 1.246 -6.234 0.000) 6.358 8.305 ( -1.379 4.936 0.000) 5.125 8.432 ( -21.824 12.835 0.000) 25.319 9.000 ( 5.944 -3.773 0.000) 7.041 9.104 ( 2.645 -2.341 0.000) 3.532 9.370 ( 7.486 3.884 0.000) 8.434 9.531 ( -5.943 -0.290 0.000) 5.950 10.192 ( 1.801 -1.192 0.000) 2.160 10.388 ( -0.574 3.876 0.000) 3.918 10.476 ( 0.750 4.552 0.000) 4.613 10.760 ( -6.477 3.359 0.000) 7.296 10.943 ( -4.165 1.858 0.000) 4.561 11.148 ( 2.235 -13.822 0.000) 14.002 11.280 ( -0.589 2.489 0.000) 2.557 11.282 ( -1.668 4.321 0.000) 4.631 11.599 ( 5.549 0.403 0.000) 5.564 11.741 ( -7.992 1.639 0.000) 8.158 11.838 ( -2.321 4.103 0.000) 4.714 12.598 ( -0.809 -5.549 0.000) 5.608 13.034 ( 0.386 3.701 0.000) 3.722 14.137 ( -2.739 -0.939 0.000) 2.896 14.205 ( 3.799 5.035 0.000) 6.308 14.258 ( 0.279 -13.330 0.000) 13.333 15.447 ( 2.574 1.991 0.000) 3.254 15.682 ( 5.421 7.032 0.000) 8.879 16.387 ( 0.385 -3.033 0.000) 3.057 16.609 ( 1.919 -4.338 0.000) 4.744 16.795 ( -0.284 3.860 0.000) 3.870 17.008 ( 2.057 0.833 0.000) 2.219 18.300 ( 0.480 -1.781 0.000) 1.845 18.534 ( 0.805 1.207 0.000) 1.451 18.853 ( 1.939 -5.254 0.000) 5.600 18.959 ( 0.036 -9.166 0.000) 9.166 19.267 ( 1.124 4.101 0.000) 4.253 19.435 ( -7.267 13.287 0.000) 15.144 19.713 ( -1.817 1.133 0.000) 2.142 19.727 ( -1.757 1.773 0.000) 2.496 20.736 ( -0.807 -4.960 0.000) 5.025 20.798 ( 0.189 1.210 0.000) 1.225 20.852 ( -0.257 -1.493 0.000) 1.514 21.466 ( 2.096 1.054 0.000) 2.346 24.378 ( -0.030 0.136 0.000) 0.140 24.426 ( 0.056 -0.059 0.000) 0.081 25.240 ( 0.986 -0.101 0.000) 0.992 25.274 ( 1.455 1.103 0.000) 1.826 25.559 ( -2.323 -18.336 0.000) 18.482 26.300 ( 0.012 5.769 0.000) 5.769 26.911 ( -1.605 -5.364 0.000) 5.599 27.106 ( 0.807 7.219 0.000) 7.264 27.297 ( -0.347 -4.996 0.000) 5.008 28.288 ( -3.176 12.017 0.000) 12.429 29.337 ( 0.046 -5.321 0.000) 5.321 29.578 ( 0.973 0.947 0.000) 1.358 29.943 ( 1.388 -0.284 0.000) 1.417 29.947 ( 0.316 -6.544 0.000) 6.551 30.644 ( -0.103 7.272 0.000) 7.273 30.689 ( 1.012 -1.811 0.000) 2.075 30.853 ( 1.075 10.284 0.000) 10.340 30.897 ( -1.227 -1.951 0.000) 2.305 31.293 ( 1.740 -2.935 0.000) 3.412 31.735 ( 4.809 -1.806 0.000) 5.138 32.423 ( 8.322 -11.867 0.000) 14.494 33.509 ( -16.689 14.431 0.000) 22.064 ======================= Grid point 34 (23/100) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -0.000 -0.772 0.000) 0.772 3.547 ( 0.000 4.469 0.000) 4.469 3.712 ( 0.000 15.726 0.000) 15.726 3.767 ( -0.000 -5.008 0.000) 5.008 3.767 ( -0.000 -8.281 0.000) 8.281 3.930 ( 0.000 6.387 0.000) 6.387 3.962 ( -0.000 -10.377 0.000) 10.377 4.379 ( -0.000 -2.577 0.000) 2.577 4.380 ( -0.000 -0.844 0.000) 0.844 5.129 ( -0.000 -7.948 0.000) 7.948 5.249 ( -0.000 -8.674 0.000) 8.674 5.292 ( 0.000 1.231 0.000) 1.231 5.519 ( 0.000 9.003 0.000) 9.003 5.680 ( 0.000 2.071 0.000) 2.071 5.940 ( -0.000 -5.945 0.000) 5.945 5.959 ( -0.000 -3.312 0.000) 3.312 6.034 ( 0.000 5.810 0.000) 5.810 6.259 ( 0.000 10.854 0.000) 10.854 6.492 ( -0.000 -0.779 0.000) 0.779 6.550 ( 0.000 12.130 0.000) 12.130 6.756 ( -0.000 -23.018 0.000) 23.018 7.177 ( 0.000 4.325 0.000) 4.325 7.330 ( -0.000 -3.600 0.000) 3.600 7.402 ( -0.000 -0.504 0.000) 0.504 7.588 ( -0.000 -4.532 0.000) 4.532 7.603 ( 0.000 5.926 0.000) 5.926 8.001 ( 0.000 8.506 0.000) 8.506 8.148 ( 0.000 2.264 0.000) 2.264 8.226 ( 0.000 3.553 0.000) 3.553 8.342 ( -0.000 -13.808 0.000) 13.808 9.052 ( 0.000 9.891 0.000) 9.891 9.127 ( -0.000 -6.955 0.000) 6.955 9.308 ( 0.000 2.354 0.000) 2.354 9.542 ( 0.000 1.204 0.000) 1.204 10.098 ( 0.000 7.066 0.000) 7.066 10.415 ( 0.000 1.758 0.000) 1.758 10.469 ( -0.000 -7.748 0.000) 7.748 10.711 ( -0.000 -2.086 0.000) 2.086 10.886 ( 0.000 2.658 0.000) 2.658 11.206 ( 0.000 3.298 0.000) 3.298 11.237 ( 0.000 1.753 0.000) 1.753 11.377 ( -0.000 -10.453 0.000) 10.453 11.535 ( 0.000 9.434 0.000) 9.434 11.742 ( -0.000 -5.109 0.000) 5.109 11.784 ( -0.000 -0.438 0.000) 0.438 12.721 ( -0.000 -9.073 0.000) 9.073 12.959 ( 0.000 4.815 0.000) 4.815 14.140 ( -0.000 -1.012 0.000) 1.012 14.144 ( 0.000 4.379 0.000) 4.379 14.437 ( -0.000 -6.712 0.000) 6.712 15.460 ( -0.000 -1.961 0.000) 1.961 15.557 ( 0.000 9.825 0.000) 9.825 16.444 ( -0.000 -3.148 0.000) 3.148 16.685 ( -0.000 -2.466 0.000) 2.466 16.715 ( 0.000 4.664 0.000) 4.664 16.991 ( 0.000 2.126 0.000) 2.126 18.332 ( -0.000 -1.689 0.000) 1.689 18.511 ( 0.000 1.900 0.000) 1.900 18.912 ( -0.000 -0.319 0.000) 0.319 19.166 ( -0.000 -10.691 0.000) 10.691 19.174 ( 0.000 8.396 0.000) 8.396 19.239 ( 0.000 0.208 0.000) 0.208 19.691 ( 0.000 0.471 0.000) 0.471 19.708 ( -0.000 -0.926 0.000) 0.926 20.742 ( 0.000 3.324 0.000) 3.324 20.783 ( -0.000 -1.222 0.000) 1.222 20.918 ( -0.000 -3.971 0.000) 3.971 21.453 ( 0.000 1.738 0.000) 1.738 24.381 ( -0.000 -0.482 0.000) 0.482 24.421 ( 0.000 0.597 0.000) 0.597 25.233 ( 0.000 2.946 0.000) 2.946 25.249 ( -0.000 -0.325 0.000) 0.325 25.863 ( -0.000 -16.384 0.000) 16.384 26.185 ( 0.000 7.778 0.000) 7.778 26.966 ( 0.000 8.656 0.000) 8.656 26.996 ( -0.000 -5.137 0.000) 5.137 27.450 ( -0.000 -13.312 0.000) 13.312 28.067 ( 0.000 11.972 0.000) 11.972 29.423 ( -0.000 -4.330 0.000) 4.330 29.558 ( 0.000 1.822 0.000) 1.822 29.984 ( -0.000 -3.480 0.000) 3.480 30.076 ( -0.000 -8.240 0.000) 8.240 30.492 ( 0.000 9.393 0.000) 9.393 30.672 ( 0.000 11.307 0.000) 11.307 30.708 ( 0.000 0.474 0.000) 0.474 30.933 ( -0.000 -2.958 0.000) 2.958 31.347 ( -0.000 -2.092 0.000) 2.092 31.709 ( 0.000 7.412 0.000) 7.412 32.786 ( -0.000 -25.480 0.000) 25.480 33.149 ( 0.000 17.854 0.000) 17.854 ======================= Grid point 42 (24/100) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 14.851 0.000 0.000) 14.851 3.148 ( 36.507 0.000 0.000) 36.507 3.468 ( -2.058 -0.000 0.000) 2.058 3.838 ( -33.455 -0.000 0.000) 33.455 3.931 ( -0.239 -0.000 0.000) 0.239 3.946 ( -2.548 -0.000 0.000) 2.548 4.167 ( 0.497 0.000 0.000) 0.497 4.209 ( -1.360 -0.000 0.000) 1.360 4.551 ( -5.050 -0.000 0.000) 5.050 4.834 ( -0.607 -0.000 0.000) 0.607 4.990 ( -4.984 -0.000 0.000) 4.984 5.283 ( 0.096 0.000 0.000) 0.096 5.414 ( 18.979 0.000 0.000) 18.979 5.711 ( -1.198 -0.000 0.000) 1.198 5.739 ( -0.067 -0.000 0.000) 0.067 5.868 ( -2.100 -0.000 0.000) 2.100 5.870 ( -0.638 -0.000 0.000) 0.638 6.278 ( 15.499 0.000 0.000) 15.499 6.706 ( 1.456 0.000 0.000) 1.456 6.938 ( -9.817 -0.000 0.000) 9.817 6.983 ( -0.057 -0.000 0.000) 0.057 7.113 ( 6.298 0.000 0.000) 6.298 7.276 ( -7.536 -0.000 0.000) 7.536 7.420 ( 0.031 0.000 0.000) 0.031 7.513 ( -2.822 -0.000 0.000) 2.822 7.554 ( -3.404 -0.000 0.000) 3.404 7.625 ( -3.892 -0.000 0.000) 3.892 8.262 ( 3.862 0.000 0.000) 3.862 8.437 ( -3.590 -0.000 0.000) 3.590 8.793 ( -15.745 -0.000 0.000) 15.745 8.941 ( 11.102 0.000 0.000) 11.102 9.044 ( 2.158 0.000 0.000) 2.158 9.233 ( 2.051 0.000 0.000) 2.051 9.792 ( 0.877 0.000 0.000) 0.877 9.912 ( -3.027 -0.000 0.000) 3.027 10.573 ( 3.333 0.000 0.000) 3.333 10.646 ( -0.155 -0.000 0.000) 0.155 10.728 ( -1.171 -0.000 0.000) 1.171 10.849 ( -6.855 -0.000 0.000) 6.855 11.002 ( -4.809 -0.000 0.000) 4.809 11.319 ( -1.000 -0.000 0.000) 1.000 11.368 ( -2.558 -0.000 0.000) 2.558 11.547 ( 1.919 0.000 0.000) 1.919 11.855 ( -4.429 -0.000 0.000) 4.429 11.940 ( -0.343 -0.000 0.000) 0.343 12.519 ( 0.148 0.000 0.000) 0.148 13.106 ( 0.869 0.000 0.000) 0.869 13.932 ( 0.912 0.000 0.000) 0.912 14.119 ( -2.491 -0.000 0.000) 2.491 14.330 ( 3.690 0.000 0.000) 3.690 15.515 ( 2.407 0.000 0.000) 2.407 15.815 ( 7.775 0.000 0.000) 7.775 16.325 ( 0.034 0.000 0.000) 0.034 16.504 ( 1.303 0.000 0.000) 1.303 16.877 ( 0.627 0.000 0.000) 0.627 17.016 ( 2.345 0.000 0.000) 2.345 18.263 ( 0.892 0.000 0.000) 0.892 18.558 ( 1.307 0.000 0.000) 1.307 18.712 ( 4.790 0.000 0.000) 4.790 18.812 ( -4.427 -0.000 0.000) 4.427 19.328 ( -1.563 -0.000 0.000) 1.563 19.757 ( -1.956 -0.000 0.000) 1.956 19.765 ( -1.968 -0.000 0.000) 1.968 19.788 ( -5.213 -0.000 0.000) 5.213 20.568 ( 0.136 0.000 0.000) 0.136 20.734 ( 0.155 0.000 0.000) 0.155 20.909 ( -1.152 -0.000 0.000) 1.152 21.486 ( 2.251 0.000 0.000) 2.251 24.396 ( -0.002 -0.000 0.000) 0.002 24.410 ( 0.033 0.000 0.000) 0.033 25.070 ( 3.044 0.000 0.000) 3.044 25.259 ( -2.932 -0.000 0.000) 2.932 25.364 ( 2.092 0.000 0.000) 2.092 26.408 ( -0.745 -0.000 0.000) 0.745 26.793 ( -2.148 -0.000 0.000) 2.148 27.213 ( 1.072 0.000 0.000) 1.072 27.270 ( 0.257 0.000 0.000) 0.257 28.535 ( -6.197 -0.000 0.000) 6.197 29.222 ( 0.601 0.000 0.000) 0.601 29.590 ( 1.598 0.000 0.000) 1.598 29.827 ( 0.539 0.000 0.000) 0.539 29.995 ( 1.143 0.000 0.000) 1.143 30.586 ( 1.425 0.000 0.000) 1.425 30.789 ( -0.028 -0.000 0.000) 0.028 30.860 ( -0.941 -0.000 0.000) 0.941 31.109 ( 1.987 0.000 0.000) 1.987 31.242 ( 2.468 0.000 0.000) 2.468 31.528 ( 0.467 0.000 0.000) 0.467 32.331 ( 13.145 0.000 0.000) 13.145 33.772 ( -19.764 -0.000 0.000) 19.764 ======================= Grid point 43 (25/100) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -0.000 -11.337 0.000) 11.337 3.398 ( 0.000 9.335 0.000) 9.335 3.483 ( -0.000 -3.386 0.000) 3.386 3.594 ( -0.000 -9.815 0.000) 9.815 3.848 ( 0.000 7.371 0.000) 7.371 3.976 ( -0.000 -2.214 0.000) 2.214 4.190 ( 0.000 1.954 0.000) 1.954 4.232 ( -0.000 -5.471 0.000) 5.471 4.461 ( 0.000 5.711 0.000) 5.711 4.910 ( -0.000 -7.869 0.000) 7.869 4.956 ( -0.000 -0.173 0.000) 0.173 5.281 ( -0.000 -0.012 0.000) 0.012 5.566 ( -0.000 -5.829 0.000) 5.829 5.707 ( 0.000 0.341 0.000) 0.341 5.802 ( -0.000 -7.652 0.000) 7.652 5.863 ( 0.000 0.289 0.000) 0.289 5.870 ( -0.000 -1.491 0.000) 1.491 6.406 ( -0.000 -2.920 0.000) 2.920 6.651 ( 0.000 6.548 0.000) 6.548 6.785 ( 0.000 17.329 0.000) 17.329 6.839 ( 0.000 3.956 0.000) 3.956 7.183 ( -0.000 -2.931 0.000) 2.931 7.239 ( -0.000 -1.277 0.000) 1.277 7.407 ( 0.000 1.393 0.000) 1.393 7.509 ( -0.000 -1.106 0.000) 1.106 7.625 ( -0.000 -2.052 0.000) 2.052 7.738 ( -0.000 -17.863 0.000) 17.863 8.255 ( 0.000 3.038 0.000) 3.038 8.378 ( 0.000 4.243 0.000) 4.243 8.559 ( 0.000 15.577 0.000) 15.577 9.018 ( 0.000 1.882 0.000) 1.882 9.047 ( -0.000 -4.659 0.000) 4.659 9.340 ( -0.000 -8.857 0.000) 8.857 9.626 ( 0.000 12.255 0.000) 12.255 10.058 ( -0.000 -11.110 0.000) 11.110 10.551 ( 0.000 9.994 0.000) 9.994 10.558 ( 0.000 3.629 0.000) 3.629 10.786 ( 0.000 3.057 0.000) 3.057 10.853 ( -0.000 -12.135 0.000) 12.135 10.981 ( -0.000 -1.512 0.000) 1.512 11.308 ( 0.000 0.968 0.000) 0.968 11.332 ( 0.000 2.570 0.000) 2.570 11.585 ( -0.000 -3.077 0.000) 3.077 11.781 ( 0.000 5.427 0.000) 5.427 11.906 ( 0.000 3.673 0.000) 3.673 12.534 ( -0.000 -1.836 0.000) 1.836 13.091 ( 0.000 2.210 0.000) 2.210 14.038 ( -0.000 -10.916 0.000) 10.916 14.111 ( -0.000 -0.506 0.000) 0.506 14.308 ( 0.000 4.236 0.000) 4.236 15.503 ( 0.000 2.475 0.000) 2.475 15.815 ( 0.000 4.437 0.000) 4.437 16.344 ( -0.000 -2.050 0.000) 2.050 16.543 ( -0.000 -3.623 0.000) 3.623 16.855 ( 0.000 2.721 0.000) 2.721 17.027 ( 0.000 0.178 0.000) 0.178 18.278 ( -0.000 -1.111 0.000) 1.111 18.557 ( 0.000 0.851 0.000) 0.851 18.801 ( -0.000 -2.782 0.000) 2.782 18.807 ( -0.000 -6.445 0.000) 6.445 19.310 ( 0.000 1.306 0.000) 1.306 19.642 ( 0.000 12.422 0.000) 12.422 19.730 ( 0.000 1.633 0.000) 1.633 19.746 ( 0.000 1.214 0.000) 1.214 20.632 ( -0.000 -6.077 0.000) 6.077 20.762 ( -0.000 -2.879 0.000) 2.879 20.880 ( 0.000 2.496 0.000) 2.496 21.492 ( 0.000 0.650 0.000) 0.650 24.385 ( 0.000 0.701 0.000) 0.701 24.419 ( -0.000 -0.642 0.000) 0.642 25.203 ( -0.000 -11.845 0.000) 11.845 25.243 ( -0.000 -0.054 0.000) 0.054 25.366 ( -0.000 -0.132 0.000) 0.132 26.376 ( 0.000 3.192 0.000) 3.192 26.818 ( -0.000 -3.953 0.000) 3.953 27.194 ( 0.000 2.766 0.000) 2.766 27.266 ( 0.000 0.301 0.000) 0.301 28.438 ( 0.000 7.380 0.000) 7.380 29.257 ( -0.000 -3.634 0.000) 3.634 29.595 ( 0.000 0.388 0.000) 0.388 29.861 ( -0.000 -3.599 0.000) 3.599 29.972 ( 0.000 2.408 0.000) 2.408 30.635 ( -0.000 -4.001 0.000) 4.001 30.750 ( 0.000 4.434 0.000) 4.434 30.864 ( -0.000 -1.031 0.000) 1.031 31.027 ( 0.000 8.797 0.000) 8.797 31.265 ( -0.000 -1.403 0.000) 1.403 31.634 ( -0.000 -9.506 0.000) 9.506 32.396 ( -0.000 -0.146 0.000) 0.146 33.604 ( 0.000 7.436 0.000) 7.436 ======================= Grid point 89 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 0.000 48.383) 48.383 0.959 ( 0.000 0.000 49.613) 49.613 1.669 ( 0.000 0.000 87.276) 87.276 3.362 ( 0.000 0.000 -9.999) 9.999 3.468 ( 0.000 0.000 -10.236) 10.236 4.170 ( 0.000 0.000 15.178) 15.178 4.200 ( 0.000 0.000 11.520) 11.520 5.082 ( 0.000 0.000 -0.020) 0.020 5.204 ( 0.000 0.000 -3.025) 3.025 5.207 ( 0.000 0.000 -3.892) 3.892 5.338 ( 0.000 0.000 -4.362) 4.362 5.421 ( 0.000 0.000 -0.349) 0.349 5.565 ( 0.000 0.000 -6.006) 6.006 5.750 ( 0.000 0.000 -0.283) 0.283 5.888 ( 0.000 0.000 0.911) 0.911 6.002 ( 0.000 0.000 0.507) 0.507 6.025 ( 0.000 0.000 -3.309) 3.309 6.341 ( 0.000 0.000 -12.701) 12.701 6.458 ( 0.000 0.000 -10.309) 10.309 6.540 ( 0.000 0.000 10.262) 10.262 7.095 ( 0.000 0.000 -7.066) 7.066 7.201 ( 0.000 0.000 -1.424) 1.424 7.228 ( 0.000 0.000 -7.402) 7.402 7.278 ( 0.000 0.000 -43.606) 43.606 7.368 ( 0.000 0.000 -7.343) 7.343 7.487 ( 0.000 0.000 15.998) 15.998 7.829 ( 0.000 0.000 -4.598) 4.598 7.978 ( 0.000 0.000 20.225) 20.225 7.987 ( 0.000 0.000 11.870) 11.870 8.520 ( 0.000 0.000 4.841) 4.841 8.535 ( 0.000 0.000 0.988) 0.988 8.782 ( 0.000 0.000 -16.107) 16.107 8.867 ( 0.000 0.000 -2.482) 2.482 9.269 ( 0.000 0.000 -20.467) 20.467 10.610 ( 0.000 0.000 31.452) 31.452 10.688 ( 0.000 0.000 21.740) 21.740 11.315 ( 0.000 0.000 12.441) 12.441 11.446 ( 0.000 0.000 6.808) 6.808 11.603 ( 0.000 0.000 -3.875) 3.875 11.620 ( 0.000 0.000 0.856) 0.856 11.682 ( 0.000 0.000 1.573) 1.573 11.949 ( 0.000 0.000 -5.740) 5.740 11.981 ( 0.000 0.000 -2.818) 2.818 12.328 ( 0.000 0.000 7.797) 7.797 12.431 ( 0.000 0.000 -3.798) 3.798 12.858 ( 0.000 0.000 -16.840) 16.840 13.025 ( 0.000 0.000 -17.769) 17.769 13.392 ( 0.000 0.000 -9.653) 9.653 13.915 ( 0.000 0.000 12.943) 12.943 14.366 ( 0.000 0.000 3.371) 3.371 14.519 ( 0.000 0.000 3.069) 3.069 15.084 ( 0.000 0.000 -7.792) 7.792 16.298 ( 0.000 0.000 -0.554) 0.554 16.318 ( 0.000 0.000 -1.146) 1.146 16.593 ( 0.000 0.000 -0.151) 0.151 16.599 ( 0.000 0.000 -0.379) 0.379 18.116 ( 0.000 0.000 1.598) 1.598 18.299 ( 0.000 0.000 -1.379) 1.379 18.650 ( 0.000 0.000 14.403) 14.403 19.052 ( 0.000 0.000 8.859) 8.859 20.045 ( 0.000 0.000 -1.091) 1.091 20.054 ( 0.000 0.000 -0.357) 0.357 20.092 ( 0.000 0.000 -7.043) 7.043 20.097 ( 0.000 0.000 -8.722) 8.722 20.639 ( 0.000 0.000 1.085) 1.085 20.867 ( 0.000 0.000 -4.525) 4.525 21.028 ( 0.000 0.000 2.248) 2.248 21.122 ( 0.000 0.000 -0.129) 0.129 24.398 ( 0.000 0.000 0.029) 0.029 24.400 ( 0.000 0.000 -0.007) 0.007 24.886 ( 0.000 0.000 2.021) 2.021 25.067 ( 0.000 0.000 -0.926) 0.926 25.366 ( 0.000 0.000 0.008) 0.008 25.385 ( 0.000 0.000 -0.300) 0.300 27.045 ( 0.000 0.000 1.003) 1.003 27.118 ( 0.000 0.000 -0.254) 0.254 27.248 ( 0.000 0.000 0.532) 0.532 27.299 ( 0.000 0.000 -0.326) 0.326 29.184 ( 0.000 0.000 4.752) 4.752 29.415 ( 0.000 0.000 4.387) 4.387 29.669 ( 0.000 0.000 -2.828) 2.828 29.976 ( 0.000 0.000 -4.614) 4.614 30.236 ( 0.000 0.000 -5.526) 5.526 30.365 ( 0.000 0.000 -9.694) 9.694 30.723 ( 0.000 0.000 7.495) 7.495 30.760 ( 0.000 0.000 4.918) 4.918 31.450 ( 0.000 0.000 1.236) 1.236 31.540 ( 0.000 0.000 -0.246) 0.246 35.547 ( 0.000 0.000 1.395) 1.395 35.726 ( 0.000 0.000 -1.464) 1.464 ======================= Grid point 90 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 13.914 -23.227 34.107) 43.547 1.282 ( 14.256 -28.054 32.117) 44.964 2.269 ( 24.006 -42.946 62.901) 79.857 3.381 ( 4.619 0.731 -8.590) 9.781 3.545 ( -0.136 -8.654 -9.585) 12.915 4.187 ( -0.955 -2.325 13.637) 13.867 4.246 ( 3.051 -3.356 10.186) 11.150 4.984 ( 2.791 16.341 -1.307) 16.629 5.045 ( -4.071 17.258 -1.921) 17.836 5.216 ( 0.021 -1.033 -4.108) 4.236 5.230 ( -0.467 -0.597 -3.618) 3.696 5.506 ( -7.462 -2.382 -6.343) 10.080 5.610 ( -5.315 -3.533 -3.022) 7.061 5.709 ( -6.278 11.770 -1.895) 13.474 5.799 ( 5.171 6.193 -1.311) 8.173 6.026 ( -1.710 -4.702 -0.471) 5.025 6.070 ( -4.627 -2.999 -5.932) 8.099 6.341 ( 3.782 4.407 -10.081) 11.635 6.374 ( -1.172 2.335 -9.347) 9.705 6.519 ( 0.528 -1.447 13.614) 13.701 7.042 ( -7.827 4.203 -25.232) 26.751 7.236 ( -2.009 -2.360 -2.975) 4.296 7.347 ( -2.185 -6.870 -2.540) 7.643 7.435 ( 4.590 -1.363 -5.345) 7.176 7.515 ( 8.718 -0.599 -2.059) 8.978 7.761 ( 10.132 -12.054 -22.254) 27.262 7.854 ( 1.302 -5.986 -7.506) 9.688 7.986 ( -0.050 -1.337 16.997) 17.050 8.114 ( 6.692 -10.461 -1.763) 12.543 8.484 ( -2.413 -6.983 -8.975) 11.625 8.677 ( 12.375 -3.695 -4.644) 13.725 8.818 ( -0.290 -2.470 -11.191) 11.464 8.858 ( 2.209 -0.804 -6.544) 6.954 9.352 ( 2.264 -7.411 -20.782) 22.180 10.577 ( -1.544 4.462 29.868) 30.239 10.723 ( 0.820 -2.657 20.914) 21.098 11.089 ( -6.440 18.607 9.636) 21.921 11.244 ( -6.142 16.083 10.762) 20.303 11.515 ( -3.221 6.308 -1.843) 7.319 11.600 ( -1.607 3.371 -1.357) 3.973 11.631 ( -9.927 -1.355 4.217) 10.870 11.902 ( -3.891 7.497 2.801) 8.899 11.968 ( -1.280 0.727 -2.677) 3.055 12.186 ( 0.465 7.160 2.159) 7.493 12.325 ( -14.996 25.810 14.698) 33.273 12.618 ( -8.064 12.529 0.709) 14.917 12.968 ( -7.797 -11.980 -15.706) 21.236 13.134 ( 12.095 0.707 -18.395) 22.027 14.078 ( -0.264 -15.952 12.766) 20.433 14.392 ( 9.216 1.984 6.580) 11.496 14.619 ( 4.037 -7.459 2.117) 8.742 15.168 ( 0.361 -4.340 -2.529) 5.036 16.332 ( 0.052 -2.634 -0.563) 2.694 16.371 ( -0.943 -5.321 -1.526) 5.615 16.583 ( 4.258 1.645 0.226) 4.570 16.666 ( 2.992 -2.999 -1.100) 4.377 18.143 ( 1.071 -2.465 1.513) 3.084 18.323 ( 1.562 -1.708 -1.376) 2.692 18.684 ( 0.241 -3.683 13.413) 13.911 19.060 ( 0.251 -0.485 8.376) 8.394 19.905 ( -7.825 11.643 -5.966) 15.244 20.004 ( -1.744 3.470 -0.976) 4.005 20.028 ( -1.581 2.441 -0.586) 2.967 20.053 ( -1.228 6.454 -6.757) 9.424 20.676 ( 1.547 -3.818 2.645) 4.896 20.900 ( 0.012 0.389 -3.284) 3.307 21.017 ( -1.136 2.116 0.853) 2.549 21.045 ( -0.512 0.119 -2.869) 2.917 24.387 ( 0.132 0.674 0.185) 0.711 24.410 ( 0.030 -0.524 -0.172) 0.552 25.079 ( -2.053 -3.594 -0.285) 4.148 25.237 ( -12.237 -12.699 -2.154) 17.767 25.434 ( 1.529 -7.304 -0.713) 7.497 25.854 ( 28.626 -17.120 -33.738) 47.443 27.096 ( 0.093 1.459 -0.662) 1.605 27.160 ( -7.903 -5.429 -1.130) 9.655 27.280 ( -1.394 -6.208 -2.938) 7.008 27.561 ( 28.114 -15.679 -28.797) 43.191 29.250 ( 0.711 -7.385 1.502) 7.570 29.423 ( 0.633 -0.725 3.848) 3.967 29.609 ( 1.210 6.025 -2.145) 6.509 29.963 ( -2.947 -0.636 -4.637) 5.531 30.243 ( 2.869 0.673 -6.416) 7.060 30.420 ( 0.469 -4.706 -8.757) 9.952 30.763 ( 2.890 -0.653 6.568) 7.205 30.838 ( 3.040 -8.799 5.730) 10.931 31.381 ( 1.005 4.858 3.201) 5.904 31.667 ( 1.514 -10.275 -1.574) 10.504 33.839 ( -48.573 87.052 100.565) 141.601 35.514 ( -10.199 18.115 -2.893) 20.990 ======================= Grid point 91 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 17.597 -28.254 18.975) 38.314 2.038 ( 18.944 -36.534 12.667) 43.059 3.321 ( 25.933 -46.461 37.631) 65.171 3.422 ( 6.189 0.806 -5.379) 8.240 3.737 ( -0.277 -13.804 -6.664) 15.330 4.212 ( -1.754 -1.415 10.861) 11.093 4.356 ( 4.153 -4.571 5.338) 8.163 4.613 ( -5.592 23.495 -0.591) 24.159 4.705 ( -5.139 16.361 -1.202) 17.191 5.192 ( -7.120 4.416 -5.374) 9.954 5.231 ( -0.837 -0.692 -4.854) 4.974 5.355 ( -10.453 8.716 -3.352) 14.017 5.424 ( -3.495 8.161 -0.879) 8.922 5.571 ( 3.257 2.900 -5.332) 6.888 5.809 ( -1.627 -0.076 -5.419) 5.658 5.995 ( -4.083 2.564 2.540) 5.450 6.053 ( 1.506 0.414 -2.058) 2.584 6.320 ( 5.502 5.798 -13.259) 15.482 6.336 ( 0.352 1.603 -5.079) 5.337 6.603 ( 2.040 -5.905 13.343) 14.733 6.930 ( -9.648 -0.429 -11.766) 15.222 7.235 ( -4.278 -3.000 3.994) 6.577 7.444 ( 6.097 1.049 8.853) 10.800 7.451 ( -1.798 -1.851 7.008) 7.468 7.597 ( 4.510 -0.088 -11.102) 11.983 7.835 ( -2.461 -2.887 -8.212) 9.045 7.939 ( -2.122 -0.824 0.601) 2.354 8.070 ( 5.052 -6.221 3.027) 8.566 8.182 ( 2.349 1.536 5.948) 6.577 8.644 ( -0.578 -5.878 -24.175) 24.886 8.763 ( 0.129 4.967 -0.802) 5.033 8.854 ( 5.939 -6.949 -6.396) 11.157 9.056 ( 9.874 -7.919 -21.144) 24.643 9.496 ( 1.304 -4.487 -16.889) 17.524 10.358 ( -7.831 14.777 21.072) 26.902 10.625 ( -5.920 15.115 6.349) 17.431 10.831 ( -2.347 0.935 16.543) 16.734 11.015 ( -2.535 2.070 9.034) 9.609 11.341 ( -5.047 8.819 -0.958) 10.207 11.476 ( -3.893 8.063 -0.950) 9.004 11.515 ( -9.662 4.982 6.164) 12.497 11.585 ( -4.949 24.077 8.811) 26.112 11.767 ( -7.371 7.104 7.515) 12.699 11.997 ( -0.111 1.169 -1.476) 1.886 12.124 ( 0.340 2.883 0.283) 2.916 12.561 ( -2.659 -1.065 -8.549) 9.016 13.070 ( -1.522 -5.176 -16.998) 17.834 13.299 ( 5.643 -7.189 -20.749) 22.673 14.320 ( 0.696 -9.391 11.087) 14.546 14.495 ( 5.886 -5.691 12.032) 14.553 14.820 ( 7.231 -7.842 0.973) 10.711 15.257 ( 2.934 -5.620 2.629) 6.864 16.383 ( -0.987 -3.421 -0.089) 3.561 16.448 ( -0.845 -4.336 -1.512) 4.669 16.620 ( 5.719 -0.350 0.627) 5.763 16.751 ( 3.156 -3.217 -1.693) 4.815 18.214 ( 1.679 -3.986 1.305) 4.518 18.378 ( 2.309 -2.199 -1.305) 3.445 18.766 ( 0.651 -4.845 10.447) 11.534 19.073 ( -0.403 -1.228 6.751) 6.874 19.597 ( -6.590 14.703 -3.341) 16.455 19.873 ( -6.808 7.374 -5.925) 11.654 19.925 ( -2.227 4.999 -0.220) 5.477 19.949 ( -2.440 4.086 -0.542) 4.790 20.756 ( 2.162 -1.704 0.185) 2.759 20.849 ( -0.061 2.916 -1.769) 3.412 20.931 ( -1.845 2.874 -2.915) 4.490 21.147 ( 2.347 -6.241 -0.247) 6.672 24.380 ( 0.129 0.272 0.305) 0.429 24.417 ( 0.056 -0.153 -0.279) 0.323 25.121 ( -0.744 -2.825 2.331) 3.738 25.306 ( -2.695 -5.694 0.872) 6.360 25.604 ( 4.867 -7.942 -0.780) 9.347 26.118 ( 5.523 -1.196 -16.460) 17.403 27.037 ( -0.425 5.222 0.797) 5.299 27.151 ( -3.364 -1.172 1.753) 3.970 27.368 ( -3.517 -7.322 -4.218) 9.153 27.970 ( 11.932 -3.793 -39.021) 40.981 29.398 ( -1.229 -6.128 0.509) 6.271 29.469 ( 1.283 -3.258 -1.298) 3.734 29.552 ( 5.338 1.086 -4.562) 7.105 29.964 ( -2.230 -2.926 -4.633) 5.916 30.254 ( 3.465 2.100 -8.041) 9.003 30.502 ( 0.289 -3.932 -7.386) 8.372 30.815 ( 3.602 -1.824 10.921) 11.643 31.053 ( 3.699 -10.760 3.302) 11.847 31.332 ( 2.871 2.994 6.481) 7.695 31.896 ( 2.704 -13.383 -1.857) 13.780 32.458 ( -21.147 39.400 84.198) 95.336 34.954 ( -16.847 30.119 -5.876) 35.007 ======================= Grid point 92 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 15.937 -27.788 9.971) 33.550 2.811 ( 17.659 -31.400 6.131) 36.543 3.469 ( 5.145 0.356 -2.017) 5.538 3.925 ( -1.344 -11.787 -5.501) 13.077 4.103 ( -6.130 13.696 2.328) 15.185 4.167 ( -5.451 5.874 8.333) 11.561 4.258 ( 12.446 -14.694 16.238) 25.189 4.418 ( -2.957 10.575 -2.770) 11.325 4.473 ( 3.355 -2.533 2.309) 4.796 5.022 ( -3.841 -5.160 3.041) 7.115 5.136 ( -5.784 5.529 -5.690) 9.818 5.230 ( -1.172 -0.356 -5.062) 5.208 5.361 ( 2.685 2.817 -8.554) 9.397 5.555 ( 0.432 1.940 -2.579) 3.256 5.805 ( -0.178 -1.946 -2.984) 3.567 5.927 ( 0.358 2.568 8.235) 8.634 6.058 ( 2.323 1.819 -6.898) 7.502 6.241 ( 3.646 6.345 -4.501) 8.591 6.323 ( -1.767 1.017 -9.085) 9.311 6.717 ( 0.109 -5.211 13.081) 14.081 6.823 ( -9.407 3.579 -1.151) 10.130 7.263 ( -2.509 -3.408 5.641) 7.052 7.423 ( 2.722 2.419 15.407) 15.832 7.475 ( -3.645 -1.584 6.590) 7.695 7.612 ( 1.830 2.620 0.226) 3.204 7.828 ( -5.003 -1.999 -5.476) 7.682 7.955 ( 3.594 -2.019 2.077) 4.616 8.166 ( 5.195 2.128 4.792) 7.381 8.256 ( 1.076 -6.341 -4.616) 7.916 8.647 ( -3.036 2.713 -21.090) 21.479 8.725 ( 4.859 -0.173 -2.581) 5.505 9.038 ( 3.836 -7.935 -4.759) 10.017 9.226 ( 5.448 -2.508 -11.899) 13.325 9.457 ( -3.282 7.214 -4.256) 8.996 10.056 ( -6.512 9.498 2.518) 11.788 10.394 ( -2.096 5.171 -5.532) 7.857 10.762 ( -8.295 1.703 14.167) 16.505 11.030 ( 4.665 6.623 -0.284) 8.106 11.110 ( -4.804 13.488 5.087) 15.195 11.158 ( -4.986 5.859 0.505) 7.710 11.320 ( -3.532 6.326 3.138) 7.895 11.391 ( -2.910 3.446 10.694) 11.606 11.642 ( -5.991 2.672 6.427) 9.184 11.990 ( 0.248 0.203 -1.595) 1.627 12.072 ( -0.986 2.607 1.194) 3.033 12.552 ( -1.543 -0.354 -10.286) 10.407 13.123 ( 0.329 -1.892 -17.556) 17.661 13.448 ( 1.644 -5.673 -23.134) 23.876 14.423 ( 3.235 -1.850 12.434) 12.981 14.648 ( 1.116 -6.227 14.892) 16.180 14.989 ( 5.200 -4.925 0.157) 7.164 15.424 ( 4.073 -8.459 3.591) 10.052 16.424 ( -1.398 -2.807 0.162) 3.140 16.488 ( -0.253 -0.902 -1.170) 1.499 16.706 ( 4.886 -3.024 -0.272) 5.752 16.827 ( 2.241 -2.323 -2.330) 3.981 18.300 ( 1.457 -3.863 1.003) 4.249 18.431 ( 1.905 -1.279 -1.122) 2.554 18.846 ( 1.697 -2.732 6.296) 7.070 19.079 ( -2.285 0.426 3.054) 3.838 19.333 ( -2.911 7.943 -0.125) 8.460 19.665 ( -7.694 7.921 -4.166) 11.802 19.824 ( -1.868 4.249 0.170) 4.645 19.860 ( -2.020 3.271 -0.478) 3.874 20.732 ( -1.674 2.920 -3.268) 4.691 20.824 ( 2.470 2.634 -2.203) 4.230 20.936 ( 0.258 -3.661 2.402) 4.386 21.263 ( 1.721 -4.556 0.081) 4.871 24.382 ( 0.136 -0.304 0.284) 0.438 24.416 ( 0.033 0.319 -0.261) 0.414 25.158 ( 0.282 -1.733 4.546) 4.873 25.383 ( -0.095 -4.586 1.933) 4.978 25.772 ( 5.647 -4.952 -1.186) 7.604 26.138 ( -0.021 0.223 -8.506) 8.509 26.922 ( -0.676 6.852 2.082) 7.193 27.139 ( -1.929 -0.551 2.584) 3.271 27.473 ( -2.797 -8.761 -6.408) 11.209 27.978 ( 1.186 7.601 -24.798) 25.964 29.442 ( -0.980 -1.888 1.523) 2.616 29.483 ( 1.343 0.427 0.619) 1.540 29.691 ( 3.806 -6.317 -13.154) 15.080 30.021 ( -0.308 -4.889 -6.119) 7.839 30.236 ( 2.139 3.083 -8.532) 9.321 30.551 ( 0.966 -1.101 -3.885) 4.152 30.892 ( 1.976 -3.693 15.585) 16.138 31.234 ( 1.949 -6.089 2.791) 6.976 31.339 ( 4.953 0.490 9.839) 11.026 31.780 ( -11.022 16.804 50.814) 54.644 32.285 ( 7.823 -18.043 -1.623) 19.732 34.217 ( -18.638 33.802 -8.095) 39.440 ======================= Grid point 93 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 10.607 -21.054 4.590) 24.018 3.401 ( 9.128 -15.476 1.820) 18.059 3.530 ( 5.880 -6.442 1.640) 8.875 3.675 ( -5.539 17.127 1.617) 18.073 3.912 ( -9.805 13.967 4.458) 17.637 4.137 ( -2.170 -8.760 2.302) 9.314 4.273 ( -3.159 6.651 4.394) 8.574 4.280 ( 0.535 4.552 -5.751) 7.354 4.518 ( 0.994 0.168 2.472) 2.670 5.069 ( 1.240 -2.825 -12.662) 13.032 5.183 ( -3.717 2.537 -4.309) 6.231 5.233 ( 0.388 2.195 -7.860) 8.170 5.496 ( 2.442 -4.205 4.615) 6.704 5.612 ( 9.187 -18.687 5.019) 21.419 5.851 ( -0.413 -2.102 -2.182) 3.058 5.926 ( 3.772 1.411 3.606) 5.405 6.020 ( -0.126 4.292 -2.706) 5.075 6.193 ( 1.042 2.209 0.784) 2.565 6.275 ( -1.976 1.346 -8.492) 8.822 6.599 ( -8.841 8.947 -1.355) 12.651 6.772 ( -0.703 -1.728 13.185) 13.316 7.279 ( -1.319 -0.842 5.709) 5.920 7.434 ( 4.509 0.315 11.166) 12.046 7.477 ( -3.259 -1.644 13.913) 14.384 7.545 ( -1.182 3.166 10.115) 10.665 7.850 ( -1.635 -3.414 -3.801) 5.364 8.051 ( 3.651 -2.686 3.373) 5.650 8.125 ( 1.244 4.414 -0.884) 4.671 8.362 ( -1.040 -6.357 -8.525) 10.685 8.525 ( -1.362 7.403 -14.646) 16.467 8.873 ( 8.544 -7.448 -0.633) 11.352 9.140 ( -7.093 9.094 4.364) 12.331 9.164 ( 0.961 -2.677 -3.749) 4.705 9.388 ( 2.011 -0.788 -14.721) 14.879 9.914 ( -1.932 2.880 -5.523) 6.522 10.370 ( 0.405 -0.998 -11.185) 11.237 10.653 ( -5.770 1.047 8.040) 9.951 10.795 ( 0.140 9.786 1.972) 9.983 10.986 ( -2.053 3.063 -1.107) 3.850 11.116 ( -0.363 1.767 -0.954) 2.041 11.280 ( 1.543 -2.018 6.721) 7.186 11.345 ( -0.561 0.597 14.851) 14.874 11.540 ( -3.882 2.677 7.138) 8.555 11.992 ( 0.298 -0.082 -1.068) 1.112 12.027 ( -0.801 1.258 1.441) 2.074 12.545 ( -0.509 0.002 -11.430) 11.441 13.145 ( 0.223 -0.448 -17.895) 17.902 13.522 ( 0.251 -1.983 -24.705) 24.786 14.464 ( 1.321 -0.423 13.949) 14.017 14.717 ( 0.449 -1.415 16.537) 16.603 15.091 ( 1.793 -2.401 -0.468) 3.033 15.567 ( 1.679 -3.767 3.216) 5.230 16.454 ( -0.809 -1.973 0.096) 2.135 16.483 ( 0.194 1.058 -0.523) 1.196 16.788 ( 2.015 -1.731 -1.217) 2.922 16.869 ( 0.671 -0.812 -2.758) 2.952 18.361 ( 0.544 -1.771 0.725) 1.990 18.456 ( 0.736 -0.182 -0.843) 1.133 18.880 ( 1.670 0.698 2.804) 3.338 19.009 ( -3.154 1.528 0.541) 3.546 19.317 ( 3.144 -3.486 1.204) 4.846 19.468 ( -6.016 6.712 -1.560) 9.147 19.757 ( -0.733 1.716 0.310) 1.891 19.807 ( -0.761 1.185 -0.444) 1.477 20.676 ( -0.646 1.608 -2.213) 2.811 20.812 ( 0.713 0.655 -3.978) 4.094 20.996 ( 0.471 -1.941 4.951) 5.339 21.328 ( 0.616 -1.595 -0.051) 1.710 24.392 ( 0.112 -0.638 0.128) 0.660 24.407 ( -0.041 0.621 -0.116) 0.633 25.183 ( 0.279 -0.650 6.064) 6.105 25.444 ( 0.300 -1.852 2.634) 3.234 25.866 ( 2.620 -1.165 -1.618) 3.293 26.137 ( -0.728 -0.584 -6.072) 6.144 26.823 ( -0.285 3.221 2.956) 4.381 27.132 ( -0.730 -0.153 2.791) 2.889 27.616 ( -0.998 -10.190 -10.296) 14.520 27.809 ( -0.752 10.783 -13.940) 17.640 29.459 ( -0.232 -0.742 -1.110) 1.355 29.492 ( 0.629 -0.029 2.468) 2.547 29.788 ( 1.038 -2.233 -15.633) 15.825 30.102 ( 0.091 -3.814 -10.585) 11.252 30.197 ( 0.767 2.796 -5.211) 5.963 30.566 ( 0.613 0.071 -0.393) 0.731 30.963 ( 0.460 -2.462 20.623) 20.775 31.309 ( 1.504 -2.251 7.393) 7.873 31.372 ( 2.166 2.308 13.338) 13.709 31.520 ( -4.360 4.023 28.331) 28.945 32.746 ( 10.978 -22.458 -6.216) 25.759 33.496 ( -15.031 28.128 -8.609) 33.034 ======================= Grid point 99 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 32.915 0.000 29.571) 44.247 1.253 ( 26.170 0.000 37.227) 45.506 2.246 ( 46.717 0.000 63.103) 78.514 3.463 ( 9.263 0.000 -10.252) 13.817 3.466 ( 0.169 0.000 -8.381) 8.382 4.169 ( 0.749 0.000 13.998) 14.018 4.245 ( 2.990 0.000 10.903) 11.306 5.162 ( -6.003 -0.000 -3.870) 7.142 5.201 ( -4.386 -0.000 -3.933) 5.891 5.220 ( -5.991 -0.000 -4.400) 7.433 5.220 ( -2.993 -0.000 -6.017) 6.721 5.301 ( -10.930 -0.000 0.810) 10.960 5.489 ( -7.198 -0.000 -3.767) 8.124 5.738 ( -0.723 -0.000 -2.799) 2.891 5.887 ( -4.819 -0.000 -5.677) 7.446 5.918 ( 0.790 0.000 3.789) 3.871 6.023 ( 0.875 0.000 -0.326) 0.933 6.254 ( -15.056 -0.000 -6.839) 16.537 6.477 ( 6.207 0.000 3.345) 7.051 6.543 ( 7.182 0.000 -9.454) 11.873 7.059 ( -8.537 -0.000 -27.203) 28.511 7.129 ( -5.847 -0.000 -0.973) 5.927 7.339 ( 14.188 0.000 -7.020) 15.830 7.531 ( 7.991 0.000 -17.977) 19.673 7.578 ( 8.083 0.000 4.978) 9.493 7.810 ( -1.573 -0.000 -3.219) 3.583 7.823 ( 12.239 0.000 -13.658) 18.340 7.949 ( -2.552 -0.000 18.426) 18.602 8.091 ( 14.516 0.000 -2.045) 14.660 8.468 ( 12.192 0.000 -8.463) 14.842 8.767 ( -1.085 -0.000 -14.629) 14.669 8.815 ( 16.946 0.000 -8.033) 18.754 8.851 ( -1.997 -0.000 -3.104) 3.691 9.322 ( 4.948 0.000 -19.738) 20.349 10.589 ( -3.093 -0.000 25.764) 25.949 10.722 ( 3.398 0.000 22.381) 22.638 11.163 ( -12.329 -0.000 12.894) 17.840 11.338 ( -30.233 -0.000 15.117) 33.802 11.437 ( 0.634 0.000 3.759) 3.812 11.535 ( -8.401 -0.000 -3.855) 9.243 11.615 ( -1.894 -0.000 0.299) 1.917 11.921 ( -7.502 -0.000 2.933) 8.055 11.944 ( -0.926 -0.000 -4.866) 4.953 12.255 ( -5.127 -0.000 3.524) 6.222 12.267 ( -34.611 -0.000 12.701) 36.868 12.478 ( -14.123 -0.000 1.075) 14.163 12.875 ( -0.280 -0.000 -13.530) 13.533 13.348 ( 14.621 0.000 -21.319) 25.851 13.940 ( 2.557 0.000 13.271) 13.515 14.566 ( -0.674 -0.000 9.348) 9.372 14.586 ( 19.970 0.000 3.379) 20.254 15.124 ( 3.955 0.000 -7.856) 8.796 16.316 ( -0.146 -0.000 -0.953) 0.964 16.321 ( 2.233 0.000 -0.642) 2.323 16.650 ( 5.212 0.000 -0.031) 5.212 16.688 ( 5.472 0.000 -1.399) 5.648 18.137 ( 2.108 0.000 1.658) 2.681 18.331 ( 3.091 0.000 -1.489) 3.431 18.656 ( 0.653 0.000 13.994) 14.009 19.059 ( -0.453 -0.000 8.573) 8.585 19.868 ( -13.905 -0.000 -5.738) 15.042 20.015 ( -3.229 -0.000 -0.577) 3.280 20.020 ( -3.389 -0.000 -0.356) 3.408 20.143 ( -2.067 -0.000 -9.864) 10.078 20.615 ( -0.639 -0.000 5.021) 5.062 20.905 ( -1.877 -0.000 -2.596) 3.203 21.028 ( 5.103 0.000 -0.175) 5.106 21.044 ( -4.248 -0.000 -3.021) 5.212 24.398 ( -0.027 -0.000 0.046) 0.054 24.404 ( 0.138 0.000 -0.101) 0.171 24.898 ( 1.397 0.000 2.269) 2.664 25.097 ( 3.046 0.000 -0.978) 3.200 25.392 ( 2.041 0.000 1.320) 2.431 26.074 ( 27.796 0.000 -30.962) 41.608 27.033 ( -1.307 -0.000 1.719) 2.159 27.114 ( 0.572 0.000 -0.687) 0.894 27.252 ( 0.253 0.000 0.408) 0.480 27.777 ( 37.993 0.000 -40.466) 55.506 29.192 ( 0.759 0.000 4.666) 4.727 29.427 ( 1.509 0.000 3.907) 4.188 29.689 ( 2.603 0.000 -2.601) 3.680 29.919 ( -4.632 -0.000 -4.262) 6.294 30.277 ( 3.869 0.000 -5.648) 6.846 30.388 ( 1.257 0.000 -9.393) 9.477 30.796 ( 7.161 0.000 6.515) 9.681 30.816 ( 5.444 0.000 5.074) 7.442 31.455 ( 0.445 0.000 1.659) 1.717 31.581 ( 4.268 0.000 -0.441) 4.291 33.867 ( -98.053 -0.000 98.457) 138.954 35.518 ( -20.380 -0.000 -2.932) 20.590 ======================= Grid point 100 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 28.263 -16.088 22.866) 39.755 1.796 ( 36.125 -20.267 14.648) 43.936 3.000 ( 44.377 -29.037 44.735) 69.381 3.508 ( 4.457 -1.528 -9.268) 10.397 3.571 ( 5.553 -3.804 -5.495) 8.689 4.189 ( 1.183 -0.842 12.368) 12.453 4.311 ( 2.997 -4.198 7.714) 9.280 4.875 ( -12.218 15.721 -2.521) 20.069 4.913 ( -10.091 16.390 -0.924) 19.269 5.157 ( -9.773 1.515 -4.088) 10.701 5.210 ( -4.227 -1.446 -5.933) 7.427 5.265 ( -10.878 -2.716 -1.296) 11.286 5.446 ( -9.264 -0.107 -2.551) 9.609 5.670 ( 3.230 4.575 -3.370) 6.536 5.831 ( -3.263 2.971 -6.775) 8.085 5.957 ( -1.334 -2.058 5.346) 5.882 6.062 ( 0.711 -0.878 -1.386) 1.788 6.172 ( -9.779 -7.997 -6.358) 14.142 6.553 ( 5.803 -1.236 3.657) 6.970 6.577 ( 7.964 5.561 -9.192) 13.373 6.878 ( -7.429 5.625 -16.085) 18.589 7.142 ( -4.099 -3.515 3.869) 6.643 7.453 ( 8.579 1.833 -1.788) 8.953 7.566 ( 5.466 3.782 5.017) 8.327 7.622 ( 1.528 -0.646 -14.665) 14.758 7.795 ( -1.799 -0.124 -2.141) 2.799 7.876 ( -2.838 -2.632 -1.768) 4.255 7.988 ( 0.180 -6.496 11.355) 13.083 8.238 ( 7.950 -0.359 7.489) 10.927 8.619 ( 8.212 -0.314 -23.465) 24.863 8.808 ( -1.959 1.398 -1.084) 2.639 8.836 ( 6.349 -4.828 -8.333) 11.535 9.027 ( 11.752 -5.655 -22.520) 26.024 9.428 ( 4.866 -5.141 -19.595) 20.834 10.463 ( -11.157 9.103 19.423) 24.178 10.762 ( 2.467 0.586 24.351) 24.482 10.859 ( -19.465 13.796 11.193) 26.353 11.016 ( -7.894 2.636 12.813) 15.278 11.389 ( -9.684 5.069 -3.317) 11.423 11.477 ( -2.358 -0.944 4.447) 5.122 11.545 ( -4.184 4.592 -0.515) 6.233 11.752 ( -10.941 5.665 5.892) 13.657 11.849 ( -22.879 11.553 9.810) 27.444 11.952 ( -3.705 -2.284 -2.854) 5.205 12.167 ( -2.728 3.632 1.341) 4.736 12.495 ( -3.485 -5.109 -6.603) 9.047 12.878 ( -1.402 -2.847 -15.997) 16.309 13.455 ( 17.598 4.216 -21.890) 28.401 14.096 ( 2.162 -13.174 13.071) 18.683 14.518 ( -0.296 1.623 11.594) 11.711 14.850 ( 20.206 -4.222 2.504) 20.794 15.211 ( 4.091 -3.815 -3.588) 6.646 16.332 ( -0.232 -1.953 -0.357) 1.999 16.380 ( 2.206 -3.581 -0.997) 4.323 16.694 ( 6.021 1.484 0.056) 6.201 16.750 ( 5.091 -1.432 -0.839) 5.355 18.181 ( 2.626 -2.211 1.614) 3.793 18.378 ( 3.714 -1.231 -1.532) 4.202 18.697 ( 1.143 -3.627 12.388) 12.959 19.051 ( -1.371 -0.462 7.750) 7.884 19.681 ( -12.903 5.877 -4.153) 14.774 19.939 ( -4.659 4.680 -2.602) 7.098 19.967 ( -4.372 1.956 -0.448) 4.811 19.995 ( -4.713 9.027 -5.373) 11.514 20.694 ( 0.141 -6.425 3.185) 7.172 20.854 ( -4.335 0.718 -0.620) 4.437 20.977 ( -2.753 3.259 -4.287) 6.048 21.123 ( 8.042 -2.153 -2.228) 8.618 24.389 ( 0.033 0.615 0.170) 0.639 24.412 ( 0.102 -0.495 -0.171) 0.534 25.044 ( 0.143 -9.362 0.984) 9.415 25.158 ( 1.019 -4.239 -0.162) 4.362 25.478 ( 1.711 -7.850 1.472) 8.168 26.225 ( 9.204 3.038 -18.178) 20.600 27.055 ( -3.720 -3.890 1.820) 5.682 27.105 ( 1.018 2.296 -0.482) 2.558 27.267 ( -0.646 -1.988 -0.814) 2.243 28.106 ( 20.318 0.681 -46.337) 50.600 29.267 ( 0.634 -6.916 1.864) 7.191 29.455 ( 2.709 -0.965 2.534) 3.833 29.678 ( 6.359 4.854 -2.837) 8.488 29.887 ( -4.088 -2.011 -3.673) 5.852 30.325 ( 4.769 0.675 -7.868) 9.225 30.424 ( -0.247 -3.560 -8.730) 9.431 30.868 ( 7.162 0.658 7.169) 10.155 30.947 ( 7.483 -7.132 5.059) 11.509 31.420 ( 2.873 3.348 3.565) 5.672 31.729 ( 4.984 -9.529 -1.428) 10.848 32.755 ( -47.914 29.518 92.441) 108.224 35.137 ( -26.862 15.995 -5.145) 31.684 ======================= Grid point 101 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 24.489 -20.470 11.951) 34.082 2.537 ( 29.524 -26.116 6.541) 39.956 3.557 ( 6.402 2.566 -6.254) 9.310 3.713 ( 1.465 -10.591 -2.070) 10.890 3.927 ( 24.738 -28.846 23.456) 44.656 4.195 ( -0.545 1.757 10.092) 10.258 4.430 ( 2.535 -5.367 3.367) 6.824 4.439 ( -7.267 18.477 1.576) 19.917 4.574 ( -7.603 12.831 -2.252) 15.084 4.952 ( -13.321 4.593 0.094) 14.090 5.118 ( -11.615 1.314 -6.526) 13.388 5.224 ( -0.134 0.360 -4.471) 4.488 5.403 ( -0.066 -0.301 -4.902) 4.911 5.640 ( 2.971 4.841 -5.023) 7.582 5.780 ( -1.248 -0.817 -5.949) 6.133 5.938 ( -2.570 0.323 8.854) 9.225 6.071 ( 0.082 -0.574 -2.293) 2.365 6.256 ( -3.814 -5.862 -8.785) 11.228 6.461 ( 5.288 12.068 -10.803) 17.038 6.649 ( 1.806 -3.421 12.266) 12.861 6.770 ( -6.409 0.425 -3.196) 7.174 7.184 ( -0.420 -4.316 7.789) 8.915 7.449 ( 2.152 3.137 6.712) 7.715 7.523 ( 1.660 4.361 5.962) 7.571 7.656 ( 1.939 -0.002 -6.785) 7.056 7.756 ( -5.776 0.471 2.450) 6.291 7.902 ( -1.948 -4.798 -2.403) 5.709 8.132 ( 0.768 -7.790 -1.127) 7.909 8.288 ( 7.706 3.508 8.675) 12.121 8.658 ( 0.779 0.391 -21.783) 21.800 8.773 ( 1.408 0.869 -1.772) 2.425 8.989 ( 7.714 -4.113 -5.148) 10.145 9.191 ( 1.613 -5.438 -14.867) 15.912 9.499 ( -1.305 1.365 -12.532) 12.674 10.142 ( -10.895 10.353 6.940) 16.554 10.499 ( -10.083 9.926 -0.304) 14.152 10.724 ( -2.114 3.310 21.952) 22.301 11.048 ( 4.160 -4.324 6.119) 8.569 11.183 ( -10.584 6.315 -1.965) 12.481 11.366 ( -8.349 11.248 -0.111) 14.008 11.416 ( -1.439 9.083 7.050) 11.588 11.449 ( -7.717 9.105 5.843) 13.289 11.612 ( -6.070 1.124 4.779) 7.807 11.949 ( -4.172 -1.984 -2.312) 5.166 12.086 ( -3.770 2.298 1.748) 4.749 12.535 ( -0.755 -1.984 -9.088) 9.332 12.931 ( -6.977 -7.290 -17.293) 20.022 13.554 ( 14.968 3.280 -22.585) 27.293 14.350 ( 2.067 -11.403 12.636) 17.146 14.518 ( -2.951 -4.161 13.674) 14.594 15.068 ( 15.557 0.536 0.776) 15.585 15.343 ( 5.775 -6.346 1.462) 8.704 16.371 ( -0.143 -2.629 0.239) 2.643 16.467 ( 2.521 -3.101 -1.465) 4.257 16.728 ( 4.658 0.396 0.125) 4.676 16.825 ( 4.194 -1.576 -1.793) 4.826 18.255 ( 2.236 -3.294 1.383) 4.215 18.434 ( 3.009 -1.112 -1.459) 3.523 18.792 ( 2.117 -5.228 8.721) 10.386 19.052 ( -1.826 -1.232 5.116) 5.570 19.437 ( -8.511 9.103 -1.651) 12.571 19.727 ( -7.743 9.499 -5.699) 13.515 19.863 ( -3.951 3.612 0.206) 5.357 19.879 ( -4.414 2.760 -0.331) 5.216 20.744 ( -1.819 0.031 -2.175) 2.835 20.864 ( 0.536 -3.907 3.423) 5.222 20.892 ( -2.135 3.036 -3.224) 4.916 21.238 ( 6.397 -2.563 -1.587) 7.071 24.382 ( 0.047 0.217 0.300) 0.374 24.418 ( 0.110 -0.119 -0.281) 0.324 25.148 ( 3.182 -1.541 2.132) 4.129 25.266 ( -0.787 -7.597 1.776) 7.841 25.665 ( 0.539 -11.585 -0.260) 11.600 26.204 ( 2.955 5.328 -9.586) 11.359 27.042 ( 0.955 6.271 0.518) 6.364 27.079 ( -3.680 -3.141 2.698) 5.539 27.315 ( -2.134 -5.555 -3.573) 6.941 28.133 ( 3.865 7.973 -30.624) 31.880 29.376 ( -0.944 -5.042 2.087) 5.538 29.502 ( 2.392 -0.660 0.732) 2.587 29.699 ( 8.598 0.833 -6.885) 11.046 29.920 ( -2.063 -5.333 -3.499) 6.704 30.325 ( 3.203 3.606 -10.927) 11.944 30.490 ( -1.154 -4.093 -8.361) 9.381 30.923 ( 6.536 0.804 13.011) 14.582 31.146 ( 5.327 -7.500 3.818) 9.960 31.419 ( 5.845 1.957 6.638) 9.058 31.899 ( -7.916 4.916 31.800) 33.137 32.118 ( -5.311 -1.049 28.606) 29.114 34.500 ( -27.908 25.263 -7.629) 38.409 ======================= Grid point 102 (34/100) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 17.425 -19.946 6.158) 27.192 3.208 ( 20.769 -21.795 4.104) 30.385 3.555 ( 3.019 2.453 -2.268) 4.503 3.893 ( -2.116 -1.024 -1.910) 3.029 3.924 ( -9.369 7.060 0.899) 11.766 4.076 ( -3.930 9.273 9.041) 13.534 4.323 ( -7.162 6.549 -0.897) 9.746 4.382 ( -0.822 5.578 1.053) 5.736 4.501 ( -0.913 -2.379 2.020) 3.252 5.031 ( -2.114 -2.190 -13.593) 13.929 5.089 ( 5.091 -12.687 10.296) 17.114 5.268 ( 6.570 -4.063 -4.966) 9.183 5.419 ( 4.298 -2.957 -7.344) 9.009 5.567 ( 1.621 3.583 0.865) 4.026 5.806 ( -1.074 -2.487 -2.699) 3.824 5.941 ( 0.538 -1.518 6.457) 6.655 6.078 ( 0.103 0.169 -3.373) 3.379 6.248 ( -1.142 3.087 -3.629) 4.899 6.331 ( 2.780 7.437 -4.195) 8.979 6.665 ( -6.405 3.710 -0.169) 7.404 6.717 ( -0.246 -2.300 11.929) 12.151 7.258 ( 2.016 -2.539 6.454) 7.223 7.427 ( -0.209 0.235 10.812) 10.816 7.487 ( 1.852 1.396 7.309) 7.669 7.609 ( -0.998 4.871 11.671) 12.686 7.740 ( -3.521 -4.935 -1.672) 6.288 7.993 ( -0.415 -5.908 -3.273) 6.766 8.229 ( -0.738 -2.043 -4.571) 5.061 8.250 ( 0.449 3.946 1.097) 4.120 8.609 ( -2.845 4.123 -14.845) 15.667 8.851 ( 7.271 -4.888 -3.305) 9.364 9.118 ( 4.081 -3.410 -5.373) 7.560 9.190 ( -8.875 3.721 4.507) 10.627 9.415 ( 0.593 2.407 -14.936) 15.141 9.956 ( -3.023 4.680 -5.909) 8.122 10.353 ( -3.007 0.201 -8.445) 8.966 10.626 ( -3.357 3.899 13.613) 14.553 10.979 ( -9.505 5.893 -0.336) 11.189 11.041 ( -2.004 12.774 2.925) 13.257 11.161 ( 3.464 0.307 -0.248) 3.486 11.262 ( -1.214 2.509 2.835) 3.976 11.383 ( 1.235 0.544 14.986) 15.047 11.545 ( -2.676 2.414 4.580) 5.828 11.942 ( -4.945 -2.513 -1.479) 5.740 12.018 ( -4.149 0.807 2.440) 4.881 12.553 ( 1.073 -0.171 -10.993) 11.046 12.974 ( -10.228 -7.467 -18.162) 22.141 13.631 ( 12.000 3.447 -23.480) 26.593 14.449 ( -1.084 -1.453 14.347) 14.461 14.624 ( -2.181 -8.270 14.925) 17.202 15.162 ( 10.645 2.507 -0.268) 10.940 15.503 ( 3.495 -5.567 2.783) 7.138 16.416 ( 0.537 -2.423 0.383) 2.511 16.518 ( 3.059 0.461 -1.163) 3.305 16.771 ( 1.337 -1.489 -0.676) 2.112 16.878 ( 2.938 -0.346 -2.650) 3.972 18.327 ( 1.087 -2.871 1.048) 3.244 18.467 ( 1.548 0.011 -1.230) 1.977 18.901 ( 3.909 -3.435 4.029) 6.582 19.019 ( -3.107 3.540 1.877) 5.070 19.283 ( -2.275 -0.019 1.178) 2.562 19.507 ( -8.138 6.742 -3.193) 11.040 19.775 ( -2.943 2.435 0.236) 3.826 19.804 ( -3.440 1.123 -0.217) 3.625 20.706 ( -0.747 2.321 -3.044) 3.900 20.830 ( -1.195 1.542 -2.551) 3.212 20.952 ( 0.916 -4.044 4.911) 6.427 21.326 ( 4.214 -1.333 -0.933) 4.518 24.384 ( 0.064 -0.348 0.276) 0.449 24.417 ( 0.058 0.414 -0.252) 0.489 25.188 ( 2.350 -0.172 4.391) 4.983 25.371 ( -0.743 -4.999 3.391) 6.086 25.850 ( 1.324 -8.014 -2.177) 8.410 26.133 ( 0.020 3.800 -5.776) 6.914 26.927 ( 1.220 7.566 1.627) 7.835 27.093 ( -2.601 -2.368 3.021) 4.637 27.423 ( -2.128 -9.659 -6.851) 12.031 27.978 ( -1.049 10.356 -18.220) 20.984 29.431 ( -0.067 -2.486 1.641) 2.980 29.519 ( 2.171 1.011 1.186) 2.673 29.783 ( 5.228 -1.448 -10.936) 12.208 30.012 ( -0.459 -6.162 -5.021) 7.962 30.276 ( 1.524 4.599 -11.721) 12.682 30.523 ( -3.137 -2.238 -5.261) 6.521 30.975 ( 5.480 -0.156 19.455) 20.213 31.281 ( 2.656 -3.478 3.173) 5.405 31.442 ( 3.262 2.740 15.264) 15.848 31.598 ( -4.632 9.334 33.810) 35.380 32.449 ( 8.550 -22.280 -4.487) 24.283 33.784 ( -24.115 26.862 -8.765) 37.147 ======================= Grid point 103 (35/100) ======================= q-point: ( 0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 2.652 -3.386 3.199) 5.360 3.476 ( 0.951 1.199 -0.478) 1.604 3.568 ( -1.929 6.476 2.654) 7.260 3.700 ( -2.333 11.516 5.540) 12.991 3.786 ( 6.140 -6.419 3.890) 9.697 4.104 ( -0.935 -9.226 1.804) 9.447 4.206 ( -2.561 -2.434 2.908) 4.576 4.311 ( 1.877 4.028 -3.502) 5.657 4.496 ( -2.974 -0.065 2.512) 3.893 5.120 ( 3.257 -5.012 -15.976) 17.057 5.126 ( -1.493 3.186 -7.150) 7.969 5.239 ( 0.072 2.328 -4.322) 4.910 5.524 ( 1.908 0.543 4.072) 4.530 5.729 ( -2.647 -6.793 4.619) 8.631 5.824 ( -1.176 2.655 -1.203) 3.143 5.954 ( 0.025 1.734 1.542) 2.320 6.045 ( 3.135 6.711 -1.224) 7.507 6.151 ( -4.455 1.566 3.194) 5.701 6.269 ( 0.844 1.516 -7.587) 7.783 6.616 ( 11.218 -2.551 -2.030) 11.682 6.765 ( 0.447 -2.613 14.189) 14.434 7.310 ( 3.567 -0.652 5.638) 6.704 7.400 ( -3.924 1.289 12.735) 13.388 7.502 ( 1.642 -1.072 8.715) 8.933 7.558 ( 2.734 1.628 14.146) 14.500 7.824 ( -1.441 -6.518 2.248) 7.044 8.019 ( -5.157 1.812 -3.626) 6.559 8.146 ( -0.858 4.826 -2.714) 5.603 8.279 ( -6.592 -6.886 -8.400) 12.706 8.524 ( 0.269 1.073 -8.138) 8.213 8.947 ( -7.288 10.194 2.141) 12.713 9.040 ( 5.011 -7.804 -0.987) 9.327 9.195 ( 2.071 -0.508 -5.340) 5.750 9.399 ( -1.275 2.006 -14.456) 14.650 9.900 ( 0.439 0.100 -7.111) 7.125 10.362 ( -1.372 -1.469 -12.582) 12.741 10.592 ( 0.248 -3.720 8.785) 9.544 10.811 ( -1.368 4.390 0.875) 4.681 10.945 ( 0.468 -0.442 1.707) 1.824 11.129 ( 1.365 1.970 -1.043) 2.614 11.258 ( -1.761 -0.149 6.384) 6.624 11.424 ( 5.894 3.502 14.244) 15.808 11.513 ( 1.262 -3.515 6.627) 7.607 11.938 ( -5.111 -2.837 -0.791) 5.899 11.988 ( -3.241 -1.747 2.575) 4.493 12.568 ( 2.783 0.514 -12.345) 12.665 12.988 ( -11.461 -6.874 -18.280) 22.644 13.668 ( 9.887 5.017 -23.534) 26.015 14.438 ( -3.733 -0.451 15.180) 15.639 14.692 ( -1.725 -2.167 16.341) 16.574 15.190 ( 6.967 4.973 -1.354) 8.666 15.575 ( -0.976 -1.171 2.523) 2.948 16.462 ( 1.373 -1.750 0.197) 2.233 16.520 ( 3.422 2.591 -0.440) 4.315 16.781 ( -2.407 0.170 -1.256) 2.720 16.892 ( 1.336 1.296 -2.982) 3.516 18.366 ( -0.092 -0.882 0.732) 1.150 18.464 ( 0.103 1.113 -0.889) 1.428 18.899 ( -0.181 4.380 2.558) 5.075 19.004 ( 3.137 -2.825 0.475) 4.248 19.326 ( -4.930 1.782 -0.097) 5.243 19.386 ( 0.443 -6.041 -0.503) 6.078 19.734 ( -1.452 -0.423 0.335) 1.549 19.779 ( -1.879 -1.262 -0.350) 2.290 20.672 ( 0.219 0.765 -2.103) 2.248 20.800 ( -1.620 0.639 -3.403) 3.823 21.006 ( 0.600 -0.995 5.397) 5.520 21.361 ( 2.297 1.056 -0.577) 2.593 24.393 ( 0.020 -0.561 0.118) 0.574 24.407 ( 0.000 0.668 -0.099) 0.675 25.202 ( 1.550 0.788 6.150) 6.391 25.413 ( -3.032 -2.172 4.308) 5.698 25.922 ( 2.825 2.905 -2.759) 4.902 26.106 ( -2.240 -2.414 -5.318) 6.255 26.838 ( 1.460 3.747 2.593) 4.785 27.113 ( -1.039 -2.086 2.792) 3.636 27.602 ( -0.453 -12.418 -12.037) 17.300 27.793 ( -0.715 9.566 -10.585) 14.286 29.462 ( 0.541 -0.746 -0.153) 0.934 29.513 ( 1.301 1.633 1.747) 2.722 29.828 ( 2.824 1.190 -14.589) 14.907 30.099 ( -0.080 -3.728 -8.907) 9.656 30.206 ( -0.162 3.994 -7.970) 8.916 30.514 ( -4.751 -1.672 -0.048) 5.037 31.026 ( 4.720 0.985 22.971) 23.472 31.328 ( -1.060 -0.715 10.870) 10.945 31.343 ( -1.975 4.107 16.116) 16.748 31.551 ( 5.802 1.519 16.618) 17.668 32.893 ( 0.805 -6.558 -6.707) 9.415 33.235 ( -7.884 0.952 -8.604) 11.708 ======================= Grid point 105 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -8.298 27.596 7.733) 29.836 3.207 ( -8.068 28.545 6.143) 30.292 3.447 ( -3.246 2.598 0.173) 4.161 3.783 ( 4.509 -19.595 0.799) 20.123 4.090 ( 7.679 -11.364 5.752) 14.873 4.176 ( 1.509 7.872 2.074) 8.279 4.269 ( 0.089 -4.432 -4.591) 6.382 4.324 ( 0.818 -5.474 4.913) 7.401 4.464 ( -3.968 0.644 1.889) 4.442 5.070 ( 0.881 -2.091 -9.990) 10.244 5.225 ( -0.240 -0.815 -10.221) 10.256 5.250 ( 2.003 2.605 6.352) 7.152 5.364 ( -6.372 19.025 -3.635) 20.391 5.565 ( 0.447 2.469 2.358) 3.444 5.798 ( -1.771 -3.437 5.292) 6.554 5.921 ( 1.897 1.332 -2.668) 3.534 6.003 ( -1.517 0.835 -4.129) 4.477 6.139 ( -3.820 -2.221 -2.009) 4.854 6.281 ( -2.208 -2.715 -6.525) 7.404 6.779 ( 0.447 0.672 13.094) 13.119 6.888 ( 18.422 -3.775 -0.824) 18.823 7.325 ( -0.964 1.142 10.492) 10.598 7.374 ( 1.342 -0.484 10.363) 10.460 7.527 ( -0.351 -1.249 6.021) 6.160 7.584 ( 3.531 1.042 7.745) 8.576 7.882 ( -0.157 0.606 -6.123) 6.155 7.906 ( -6.085 -1.703 9.976) 11.809 8.105 ( -1.209 -0.709 -3.801) 4.051 8.264 ( -9.916 -0.656 -7.749) 12.602 8.633 ( 7.990 -6.044 -13.500) 16.811 8.723 ( -5.662 6.674 -1.055) 8.816 9.157 ( -0.200 6.280 -3.861) 7.375 9.177 ( -2.489 -1.656 -8.971) 9.456 9.354 ( -1.114 -3.682 -5.781) 6.944 9.964 ( 2.504 -5.888 -4.188) 7.647 10.370 ( 0.673 -1.060 -12.368) 12.431 10.754 ( 3.870 -10.806 9.621) 14.977 10.812 ( -0.370 -4.397 2.460) 5.052 11.030 ( 3.602 -6.256 1.629) 7.400 11.139 ( 1.421 0.124 -0.712) 1.594 11.252 ( -0.138 -2.932 5.936) 6.622 11.416 ( 5.678 1.229 12.764) 14.024 11.631 ( 3.767 -4.536 7.548) 9.579 11.940 ( -3.931 -2.696 -0.816) 4.836 12.009 ( -2.453 -3.731 2.689) 5.212 12.592 ( 4.187 0.808 -12.119) 12.847 12.986 ( -11.029 -5.957 -17.951) 21.895 13.646 ( 7.864 8.045 -22.405) 25.071 14.397 ( -4.580 0.280 14.358) 15.073 14.680 ( -1.978 1.154 16.524) 16.681 15.116 ( 2.905 9.132 -1.746) 9.740 15.519 ( -2.737 5.476 2.370) 6.565 16.493 ( 2.488 1.279 -0.079) 2.798 16.511 ( 3.092 1.422 -0.300) 3.417 16.714 ( -5.016 3.171 -0.859) 5.996 16.859 ( -0.514 2.879 -2.887) 4.109 18.348 ( -0.687 2.539 0.650) 2.709 18.438 ( -0.883 1.300 -0.834) 1.779 18.857 ( -0.602 0.827 4.564) 4.677 19.088 ( 4.082 -1.980 0.604) 4.577 19.252 ( -3.050 -1.508 0.985) 3.542 19.573 ( 4.183 -10.234 -3.114) 11.486 19.763 ( -0.026 -3.659 0.269) 3.669 19.809 ( -0.332 -3.443 -0.488) 3.493 20.693 ( 0.875 -2.563 -2.408) 3.624 20.772 ( -2.748 0.050 -2.506) 3.719 20.993 ( 0.258 2.726 3.710) 4.611 21.335 ( 0.855 3.786 -0.132) 3.883 24.389 ( -0.106 0.687 0.160) 0.713 24.408 ( 0.022 -0.550 -0.132) 0.566 25.195 ( 1.611 1.596 6.312) 6.707 25.394 ( -4.383 -0.202 4.180) 6.060 25.837 ( -0.104 7.381 -2.337) 7.743 26.133 ( -0.916 -1.480 -6.796) 7.016 26.844 ( 1.395 -2.854 2.853) 4.270 27.141 ( 0.206 -1.473 2.459) 2.874 27.637 ( 0.947 8.166 -7.696) 11.261 27.820 ( 0.369 -11.209 -18.925) 21.998 29.467 ( 0.402 0.530 -1.516) 1.656 29.491 ( 0.437 1.856 2.457) 3.110 29.788 ( 0.836 5.845 -16.331) 17.365 30.092 ( -0.825 3.763 -11.221) 11.863 30.183 ( -0.622 -1.755 -3.819) 4.249 30.502 ( -4.279 -2.386 2.154) 5.352 31.002 ( 3.126 6.455 17.074) 18.520 31.271 ( -2.101 0.831 15.238) 15.404 31.329 ( -1.295 2.043 4.174) 4.824 31.640 ( 6.036 -7.422 34.077) 35.395 32.532 ( -9.405 20.290 -5.937) 23.138 33.750 ( 9.590 -36.036 -8.433) 38.232 ======================= Grid point 106 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -6.325 32.828 15.383) 36.801 2.561 ( -6.942 37.305 10.138) 39.276 3.384 ( -2.649 1.422 -2.156) 3.700 3.909 ( -3.557 29.178 8.741) 30.666 4.031 ( -3.555 26.126 8.705) 27.767 4.204 ( 2.250 -20.022 0.438) 20.153 4.273 ( 3.903 -3.632 5.782) 7.865 4.394 ( -3.943 1.312 4.774) 6.330 4.460 ( 1.059 -14.906 -1.929) 15.067 5.119 ( 3.121 -7.224 0.150) 7.870 5.224 ( 3.130 -8.471 -6.779) 11.292 5.261 ( 0.089 -3.804 -4.518) 5.907 5.316 ( -0.786 -1.827 -4.435) 4.861 5.540 ( -0.679 0.953 -1.261) 1.720 5.855 ( 5.185 -0.407 -4.072) 6.605 5.967 ( -2.520 -2.820 -7.846) 8.710 5.998 ( 3.087 -3.579 3.809) 6.070 6.141 ( -6.630 -4.251 -3.640) 8.676 6.302 ( -2.380 -2.694 -3.762) 5.204 6.710 ( -0.365 6.720 14.085) 15.611 7.064 ( 14.042 1.796 -9.938) 17.296 7.310 ( 1.124 0.845 7.446) 7.578 7.344 ( -7.496 0.312 6.720) 10.072 7.540 ( -1.981 0.110 3.802) 4.288 7.556 ( 1.526 1.953 7.718) 8.106 7.910 ( 2.718 1.678 -7.878) 8.501 7.948 ( 5.056 -3.731 3.275) 7.085 8.083 ( -2.464 0.300 2.141) 3.278 8.141 ( -9.757 2.998 -4.177) 11.029 8.666 ( -1.256 -3.960 -0.888) 4.248 8.770 ( 8.066 1.083 -23.876) 25.225 8.966 ( -3.815 11.091 -4.380) 12.521 9.082 ( -6.541 5.554 -17.159) 19.185 9.481 ( -0.066 -6.293 -5.902) 8.628 10.153 ( 2.399 -13.091 7.580) 15.316 10.459 ( 3.365 -8.761 -7.786) 12.195 10.829 ( -1.587 -0.043 11.164) 11.276 10.999 ( 1.980 -6.202 12.740) 14.307 11.200 ( 2.885 -12.637 3.995) 13.564 11.218 ( 0.835 -11.644 3.111) 12.081 11.370 ( 1.445 -8.198 0.815) 8.364 11.534 ( 10.366 -5.992 8.855) 14.891 11.712 ( -1.134 -3.413 6.144) 7.119 11.950 ( -2.349 -1.955 -1.455) 3.385 12.057 ( -1.509 -3.815 2.038) 4.581 12.618 ( 4.007 1.216 -9.962) 10.806 12.978 ( -7.994 -4.231 -17.973) 20.121 13.539 ( 4.884 11.993 -20.490) 24.239 14.347 ( -3.142 0.705 12.189) 12.607 14.604 ( -1.758 6.583 15.088) 16.555 14.955 ( 0.093 10.968 -1.555) 11.078 15.359 ( -2.062 9.013 3.110) 9.755 16.471 ( 2.922 4.205 -0.217) 5.126 16.518 ( 2.229 1.825 -1.146) 3.100 16.597 ( -5.506 3.160 0.198) 6.352 16.791 ( -1.222 3.827 -2.580) 4.775 18.277 ( -0.681 4.460 0.922) 4.605 18.401 ( -0.919 2.088 -1.061) 2.516 18.827 ( -0.328 2.585 7.572) 8.008 19.101 ( 0.279 1.672 5.277) 5.543 19.386 ( 1.784 -13.132 -2.027) 13.407 19.789 ( 3.940 -9.742 -5.461) 11.843 19.847 ( 0.571 -5.438 0.081) 5.468 19.883 ( 0.479 -4.896 -0.511) 4.945 20.741 ( -2.186 0.190 -0.194) 2.203 20.771 ( -0.015 -4.988 -3.315) 5.989 20.944 ( 0.532 2.367 -0.023) 2.426 21.251 ( 0.014 6.337 0.327) 6.346 24.379 ( -0.081 0.311 0.313) 0.449 24.415 ( -0.018 -0.269 -0.264) 0.378 25.183 ( 2.291 2.241 4.867) 5.828 25.348 ( -3.221 0.498 3.238) 4.594 25.689 ( -1.851 8.300 -1.875) 8.708 26.128 ( -0.705 1.427 -10.671) 10.789 26.942 ( 0.854 -6.290 2.095) 6.685 27.166 ( 0.702 -0.989 2.099) 2.424 27.523 ( 1.772 6.837 -4.481) 8.365 27.942 ( -1.652 -1.839 -31.943) 32.039 29.460 ( 0.568 1.787 2.410) 3.054 29.468 ( -0.287 -0.596 -1.133) 1.312 29.642 ( -1.118 10.835 -13.988) 17.729 30.023 ( 0.004 2.969 -7.553) 8.115 30.203 ( -0.989 -1.282 -5.291) 5.533 30.507 ( -2.034 -1.498 -1.073) 2.744 30.890 ( 0.690 7.871 10.970) 13.519 31.208 ( -0.695 8.834 2.108) 9.109 31.270 ( -1.888 -1.323 10.823) 11.065 31.973 ( 7.200 -23.397 58.807) 63.699 32.155 ( -4.932 14.126 0.238) 14.964 34.478 ( 7.017 -37.941 -7.419) 39.291 ======================= Grid point 107 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 32.557 25.365) 41.271 1.842 ( 0.000 40.833 17.290) 44.343 3.040 ( 0.000 54.692 41.882) 68.886 3.354 ( 0.000 0.289 -5.264) 5.272 3.743 ( 0.000 13.733 -9.309) 16.591 4.256 ( 0.000 3.604 11.414) 11.970 4.288 ( 0.000 3.564 6.671) 7.563 4.650 ( -0.000 -21.859 0.022) 21.859 4.757 ( -0.000 -17.961 -1.029) 17.991 5.232 ( -0.000 -0.225 -4.152) 4.158 5.246 ( 0.000 0.870 -5.759) 5.824 5.464 ( -0.000 -16.193 -0.045) 16.193 5.503 ( -0.000 -15.906 -1.098) 15.944 5.532 ( -0.000 -0.446 -5.513) 5.531 5.827 ( 0.000 7.057 -7.792) 10.512 6.022 ( -0.000 -4.165 -0.328) 4.178 6.124 ( -0.000 -3.424 -6.128) 7.020 6.169 ( -0.000 -6.869 -3.495) 7.707 6.340 ( -0.000 -3.155 -5.884) 6.676 6.583 ( 0.000 6.541 14.428) 15.841 7.090 ( 0.000 3.366 -23.203) 23.446 7.259 ( 0.000 0.933 -1.324) 1.619 7.370 ( -0.000 -4.389 14.955) 15.586 7.490 ( 0.000 5.201 4.322) 6.762 7.515 ( 0.000 3.695 -3.693) 5.224 7.860 ( 0.000 4.353 -10.362) 11.239 7.982 ( 0.000 6.237 -7.901) 10.066 8.011 ( 0.000 2.061 7.403) 7.685 8.138 ( -0.000 -4.511 2.102) 4.977 8.718 ( 0.000 10.991 -34.324) 36.041 8.734 ( 0.000 10.985 1.381) 11.072 8.768 ( -0.000 -5.391 -2.355) 5.883 8.923 ( 0.000 7.019 -17.223) 18.599 9.478 ( 0.000 6.104 -18.481) 19.463 10.422 ( -0.000 -14.716 23.720) 27.914 10.750 ( -0.000 -21.019 1.944) 21.109 10.782 ( 0.000 3.395 17.270) 17.601 11.069 ( -0.000 -5.752 14.106) 15.234 11.388 ( -0.000 -9.518 0.525) 9.533 11.517 ( -0.000 -7.317 -1.649) 7.500 11.632 ( -0.000 -27.694 10.060) 29.465 11.697 ( 0.000 0.301 3.784) 3.796 11.837 ( -0.000 -20.055 14.358) 24.665 11.962 ( -0.000 -1.096 -2.385) 2.625 12.104 ( -0.000 -2.877 -0.294) 2.892 12.614 ( 0.000 1.756 -7.625) 7.825 12.989 ( -0.000 -2.306 -18.195) 18.340 13.329 ( 0.000 15.400 -18.219) 23.855 14.326 ( -0.000 -0.191 9.144) 9.146 14.392 ( 0.000 16.698 13.336) 21.370 14.763 ( 0.000 10.764 -0.629) 10.783 15.228 ( 0.000 4.539 2.885) 5.378 16.400 ( 0.000 4.969 -0.306) 4.979 16.471 ( 0.000 4.892 -2.013) 5.290 16.545 ( -0.000 -0.146 0.911) 0.922 16.715 ( 0.000 4.002 -1.977) 4.463 18.196 ( 0.000 4.218 1.258) 4.401 18.354 ( 0.000 2.592 -1.242) 2.874 18.761 ( 0.000 4.753 11.121) 12.094 19.075 ( 0.000 1.323 7.325) 7.443 19.665 ( -0.000 -17.082 -3.848) 17.510 19.941 ( -0.000 -5.010 -0.794) 5.072 19.962 ( -0.000 -7.314 -6.179) 9.575 19.972 ( -0.000 -4.740 -0.507) 4.767 20.708 ( 0.000 1.883 1.651) 2.504 20.859 ( -0.000 -4.463 -3.738) 5.822 20.953 ( -0.000 -3.193 -2.190) 3.872 21.129 ( 0.000 7.296 -0.074) 7.296 24.378 ( -0.000 -0.257 0.329) 0.418 24.416 ( 0.000 0.157 -0.277) 0.318 25.148 ( 0.000 3.414 2.319) 4.127 25.334 ( -0.000 -0.449 1.950) 2.001 25.541 ( 0.000 7.223 -1.369) 7.352 26.042 ( 0.000 9.677 -21.441) 23.524 27.045 ( -0.000 -4.655 0.752) 4.715 27.190 ( -0.000 -1.333 1.654) 2.125 27.432 ( 0.000 5.421 -2.272) 5.878 27.794 ( 0.000 18.230 -44.350) 47.951 29.422 ( 0.000 12.331 -6.745) 14.056 29.437 ( 0.000 1.268 3.456) 3.681 29.508 ( -0.000 -4.124 -1.734) 4.474 29.992 ( 0.000 1.210 -6.015) 6.136 30.213 ( -0.000 -0.872 -5.773) 5.838 30.492 ( 0.000 2.727 -6.625) 7.164 30.783 ( 0.000 4.015 9.382) 10.205 31.015 ( 0.000 12.077 3.127) 12.475 31.304 ( -0.000 -3.378 6.574) 7.391 31.866 ( 0.000 13.729 -3.179) 14.092 32.711 ( -0.000 -57.132 94.686) 110.587 35.125 ( -0.000 -31.998 -5.032) 32.392 ======================= Grid point 110 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 34.046 0.000 23.308) 41.261 2.031 ( 41.595 0.000 12.920) 43.556 3.220 ( 46.812 0.000 34.517) 58.162 3.485 ( 2.854 0.000 -3.089) 4.206 3.672 ( 10.491 0.000 -10.602) 14.915 4.202 ( 2.405 0.000 12.323) 12.555 4.293 ( 1.647 0.000 8.409) 8.569 4.918 ( -16.746 -0.000 -4.933) 17.457 4.970 ( -15.129 -0.000 -4.344) 15.740 4.997 ( -14.077 -0.000 0.046) 14.077 5.032 ( -14.796 -0.000 2.141) 14.950 5.213 ( 0.291 0.000 -3.878) 3.889 5.348 ( -6.175 -0.000 -2.526) 6.672 5.725 ( -1.022 -0.000 -4.675) 4.786 5.857 ( 0.844 0.000 -5.426) 5.491 5.925 ( -10.765 -0.000 -3.264) 11.249 5.954 ( 2.470 0.000 9.134) 9.462 6.078 ( -1.387 -0.000 0.614) 1.517 6.572 ( 4.545 0.000 6.640) 8.047 6.728 ( 8.659 0.000 -18.164) 20.123 6.915 ( -5.471 -0.000 -19.902) 20.641 7.055 ( -1.351 -0.000 3.218) 3.490 7.566 ( 4.532 0.000 -2.303) 5.083 7.609 ( -5.277 -0.000 2.212) 5.722 7.640 ( 3.884 0.000 -11.670) 12.299 7.780 ( -1.738 -0.000 1.564) 2.338 7.821 ( -2.801 -0.000 4.628) 5.409 7.918 ( 1.726 0.000 9.840) 9.990 8.349 ( 14.566 0.000 6.090) 15.788 8.718 ( -6.242 -0.000 -8.493) 10.540 8.795 ( 12.886 0.000 -18.724) 22.730 8.816 ( 1.079 0.000 -5.984) 6.081 9.109 ( 9.279 0.000 -21.016) 22.973 9.441 ( 6.498 0.000 -18.764) 19.857 10.454 ( -9.684 -0.000 7.517) 12.259 10.669 ( -32.803 -0.000 21.199) 39.057 10.815 ( 5.454 0.000 21.103) 21.796 10.983 ( -4.525 -0.000 16.216) 16.835 11.320 ( -12.984 -0.000 -3.490) 13.445 11.460 ( 0.556 0.000 1.605) 1.698 11.545 ( -4.017 -0.000 -0.018) 4.017 11.616 ( -25.032 -0.000 7.172) 26.039 11.706 ( -11.920 -0.000 6.878) 13.762 11.933 ( -1.398 -0.000 -4.566) 4.775 12.164 ( -4.732 -0.000 4.040) 6.222 12.421 ( -0.442 -0.000 -7.868) 7.880 12.888 ( 1.251 0.000 -14.330) 14.385 13.668 ( 15.652 0.000 -22.964) 27.791 14.007 ( 3.984 0.000 14.135) 14.685 14.505 ( -4.627 -0.000 15.146) 15.837 15.047 ( 24.645 0.000 0.678) 24.654 15.229 ( 6.272 0.000 -7.977) 10.147 16.312 ( -0.289 -0.000 -0.887) 0.933 16.379 ( 3.357 0.000 -0.946) 3.488 16.763 ( 5.410 0.000 -0.001) 5.410 16.798 ( 5.944 0.000 -1.014) 6.030 18.191 ( 3.095 0.000 1.800) 3.580 18.409 ( 4.378 0.000 -1.710) 4.700 18.677 ( 1.563 0.000 12.502) 12.599 19.027 ( -2.549 -0.000 7.904) 8.305 19.594 ( -12.959 -0.000 -3.842) 13.517 19.929 ( -5.145 -0.000 -0.930) 5.228 19.931 ( -5.345 -0.000 -0.244) 5.350 20.043 ( -7.456 -0.000 -9.321) 11.936 20.623 ( 1.073 0.000 6.658) 6.744 20.807 ( -5.094 -0.000 -0.213) 5.099 20.973 ( -3.210 -0.000 -4.634) 5.637 21.200 ( 9.406 0.000 -3.387) 9.997 24.397 ( -0.020 -0.000 0.079) 0.081 24.406 ( 0.098 0.000 -0.072) 0.122 24.946 ( 3.412 0.000 2.907) 4.482 25.179 ( 5.029 0.000 -1.015) 5.131 25.419 ( 0.216 0.000 4.091) 4.096 26.324 ( 4.193 0.000 -14.258) 14.862 26.989 ( -3.212 -0.000 3.405) 4.681 27.137 ( 1.660 0.000 -0.663) 1.787 27.254 ( -0.024 -0.000 -0.067) 0.071 28.302 ( 12.354 0.000 -48.292) 49.847 29.211 ( 1.088 0.000 4.186) 4.325 29.481 ( 3.863 0.000 3.304) 5.083 29.788 ( 5.003 0.000 -0.994) 5.101 29.836 ( -1.074 -0.000 -6.268) 6.359 30.371 ( 5.204 0.000 -5.872) 7.846 30.397 ( -0.174 -0.000 -9.602) 9.604 30.953 ( 7.755 0.000 5.318) 9.404 30.973 ( 9.834 0.000 4.823) 10.953 31.466 ( 0.678 0.000 3.357) 3.425 31.717 ( 9.866 0.000 -1.142) 9.932 32.506 ( -45.133 -0.000 83.072) 94.541 34.971 ( -33.517 -0.000 -6.050) 34.059 ======================= Grid point 111 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 31.991 -9.814 14.896) 36.628 2.536 ( 36.055 -12.331 9.367) 39.240 3.546 ( 1.702 -6.512 -2.167) 7.071 3.722 ( 6.745 4.162 -6.232) 10.082 3.807 ( 29.432 -15.381 19.898) 38.713 4.221 ( 1.180 0.863 9.939) 10.046 4.351 ( 0.460 -4.864 5.703) 7.510 4.608 ( -13.098 10.866 0.289) 17.021 4.692 ( -10.744 11.155 -2.746) 15.729 4.883 ( -9.926 1.987 1.888) 10.297 4.973 ( -10.620 -4.156 -4.574) 12.287 5.224 ( -0.390 -0.293 -2.716) 2.760 5.328 ( -4.992 -4.448 -3.417) 7.508 5.727 ( -4.009 -1.615 -7.915) 9.018 5.750 ( 1.583 4.455 -2.042) 5.150 5.924 ( -2.855 -1.111 6.878) 7.529 6.059 ( -0.256 -4.193 0.133) 4.203 6.075 ( 0.972 -4.761 1.818) 5.188 6.603 ( -1.251 1.079 2.480) 2.980 6.723 ( 4.910 9.358 -13.742) 17.335 6.794 ( 0.179 4.450 -8.977) 10.021 7.111 ( 0.990 -4.350 7.009) 8.309 7.519 ( -3.669 1.897 5.944) 7.238 7.578 ( -1.629 0.681 -7.219) 7.432 7.690 ( 0.923 -0.956 -0.283) 1.358 7.736 ( -1.739 -0.242 4.697) 5.014 7.812 ( -0.509 1.410 2.229) 2.686 7.993 ( 0.585 -6.420 1.778) 6.687 8.444 ( 8.256 5.390 6.620) 11.876 8.668 ( 0.346 -1.822 -11.715) 11.861 8.796 ( 1.997 1.863 -7.357) 7.847 8.993 ( 6.600 -7.142 -10.827) 14.554 9.134 ( -0.880 1.620 -13.198) 13.326 9.515 ( 3.478 -0.350 -16.908) 17.265 10.197 ( -13.445 10.030 6.965) 18.163 10.433 ( -16.794 0.214 1.525) 16.864 10.866 ( 5.473 6.448 21.767) 23.352 10.970 ( -0.301 -6.771 12.104) 13.873 11.153 ( -13.118 3.702 -2.410) 13.842 11.373 ( -17.909 3.074 5.220) 18.906 11.423 ( -6.394 2.285 -3.098) 7.464 11.516 ( 0.098 2.248 5.663) 6.094 11.582 ( -6.974 1.383 6.414) 9.576 11.905 ( -2.138 1.283 -3.821) 4.563 12.086 ( -5.297 2.709 5.098) 7.835 12.453 ( -1.410 -3.832 -8.849) 9.746 12.881 ( 1.158 1.818 -15.244) 15.395 13.771 ( 13.728 4.157 -23.356) 27.409 14.152 ( 3.136 -11.343 14.370) 18.574 14.455 ( -4.711 -0.122 16.242) 16.912 15.264 ( 16.424 2.097 -2.359) 16.725 15.328 ( 10.222 -3.750 -3.846) 11.548 16.329 ( -0.087 -2.101 -0.458) 2.152 16.439 ( 3.286 -2.984 -1.400) 4.654 16.796 ( 3.897 1.695 -0.151) 4.252 16.858 ( 5.724 -0.299 -1.408) 5.902 18.236 ( 2.696 -1.697 1.724) 3.622 18.455 ( 3.736 -0.389 -1.768) 4.151 18.731 ( 2.308 -3.937 10.253) 11.223 19.007 ( -2.931 -1.036 6.448) 7.159 19.448 ( -9.908 3.417 -2.695) 10.821 19.827 ( -6.663 7.766 -5.423) 11.581 19.868 ( -5.371 1.707 -0.519) 5.659 19.879 ( -6.292 5.023 -1.713) 8.231 20.691 ( -0.228 -4.381 3.770) 5.785 20.787 ( -1.784 -2.953 1.510) 3.766 20.921 ( -2.624 2.456 -3.545) 5.048 21.290 ( 7.802 -0.365 -3.433) 8.531 24.389 ( -0.040 0.565 0.208) 0.603 24.414 ( 0.135 -0.504 -0.190) 0.556 25.083 ( 3.384 -9.733 2.242) 10.546 25.215 ( 4.104 0.973 0.443) 4.241 25.479 ( -1.722 -7.302 3.763) 8.393 26.315 ( 1.648 3.839 -9.407) 10.293 26.979 ( -4.210 -2.899 3.732) 6.329 27.136 ( 1.924 2.543 -0.423) 3.217 27.255 ( -0.459 -0.555 -0.934) 1.180 28.302 ( 1.561 7.110 -35.378) 36.119 29.274 ( 0.234 -5.266 2.870) 6.002 29.524 ( 3.955 -0.251 2.511) 4.692 29.812 ( -3.235 -3.734 -3.789) 6.226 29.847 ( 9.428 4.362 -3.210) 10.872 30.389 ( 0.139 0.940 -10.821) 10.863 30.442 ( 3.443 -1.990 -8.283) 9.189 31.011 ( 6.571 1.612 8.245) 10.666 31.107 ( 8.113 -4.364 4.843) 10.408 31.485 ( 3.237 -0.678 5.942) 6.800 31.870 ( 8.252 -3.584 3.625) 9.699 32.062 ( -22.349 6.684 56.043) 60.704 34.516 ( -34.495 12.634 -7.800) 37.555 ======================= Grid point 112 (41/100) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 24.837 -11.722 7.418) 28.448 3.103 ( 25.869 -16.806 6.401) 31.506 3.649 ( 2.941 3.200 -6.194) 7.567 3.720 ( -0.461 -6.821 2.949) 7.445 4.009 ( -9.181 5.261 5.328) 11.847 4.180 ( -0.149 4.233 8.240) 9.265 4.344 ( -12.535 5.452 -1.756) 13.781 4.414 ( -4.253 -1.174 1.369) 4.620 4.472 ( -4.487 5.458 0.667) 7.097 4.928 ( 1.302 -6.982 -6.209) 9.433 5.001 ( 9.912 -5.546 6.567) 13.120 5.261 ( 6.165 -4.148 -4.152) 8.512 5.375 ( -2.638 -4.857 -5.306) 7.662 5.668 ( 0.025 3.509 -3.984) 5.309 5.747 ( -1.600 -0.277 -1.925) 2.518 5.937 ( 2.467 -1.207 2.280) 3.570 6.070 ( 1.254 -0.326 2.528) 2.840 6.227 ( 1.299 -7.218 -1.300) 7.449 6.466 ( -5.583 6.757 -0.641) 8.788 6.654 ( 1.045 4.441 -2.207) 5.068 6.729 ( 0.908 3.442 3.226) 4.804 7.215 ( 3.091 -4.953 8.715) 10.490 7.481 ( -2.078 -0.642 6.039) 6.419 7.526 ( 0.052 4.742 -1.413) 4.948 7.640 ( -4.572 0.573 11.412) 12.307 7.728 ( 5.204 7.074 6.314) 10.816 7.846 ( -2.348 -8.518 -5.747) 10.540 8.126 ( -1.618 -8.535 -4.152) 9.629 8.351 ( -2.251 6.433 2.528) 7.270 8.657 ( -4.775 6.688 -14.340) 16.527 8.837 ( 5.867 -4.013 -2.100) 7.412 9.097 ( -5.813 -3.119 -2.121) 6.929 9.147 ( 6.995 -1.942 -6.863) 9.991 9.473 ( -1.508 4.719 -13.337) 14.228 10.006 ( -2.954 4.162 -7.192) 8.820 10.295 ( -8.212 -0.168 -7.117) 10.868 10.751 ( 2.719 9.999 19.945) 22.476 10.952 ( -11.939 4.188 -0.468) 12.660 11.120 ( -1.528 -1.041 5.810) 6.097 11.175 ( -4.956 -0.960 2.654) 5.704 11.307 ( -5.641 2.872 -1.603) 6.530 11.413 ( -0.598 5.752 10.529) 12.012 11.573 ( 2.102 0.320 4.637) 5.102 11.856 ( -4.663 -0.021 -2.215) 5.163 11.987 ( -6.064 1.981 5.493) 8.418 12.507 ( -2.042 -4.489 -10.437) 11.543 12.856 ( -1.019 1.195 -16.597) 16.672 13.814 ( 10.714 4.541 -23.591) 26.305 14.388 ( 1.018 -8.087 14.967) 17.043 14.433 ( -4.092 -6.495 16.510) 18.208 15.328 ( 9.319 3.103 -1.834) 9.992 15.489 ( 8.779 -1.651 -1.375) 9.038 16.376 ( 0.493 -2.984 0.165) 3.029 16.530 ( 3.416 -3.160 -1.906) 5.028 16.788 ( 1.442 2.010 -0.105) 2.476 16.913 ( 4.422 0.093 -2.353) 5.010 18.293 ( 1.523 -2.335 1.398) 3.119 18.487 ( 2.179 0.193 -1.660) 2.746 18.848 ( 3.341 -5.952 6.456) 9.395 19.010 ( -2.004 -2.094 3.698) 4.699 19.297 ( -5.117 4.892 -0.820) 7.126 19.567 ( -8.425 10.523 -4.596) 14.242 19.780 ( -4.200 2.026 0.273) 4.671 19.789 ( -4.267 1.954 -0.136) 4.695 20.720 ( -0.458 -0.317 -1.651) 1.742 20.849 ( -1.913 2.701 -1.240) 3.535 20.874 ( 0.610 -5.856 4.763) 7.573 21.362 ( 5.458 -0.317 -2.676) 6.086 24.382 ( -0.027 0.146 0.331) 0.363 24.421 ( 0.122 -0.073 -0.295) 0.327 25.224 ( 3.983 0.602 2.117) 4.551 25.281 ( 2.108 -6.381 4.316) 7.987 25.625 ( -3.942 -13.323 0.148) 13.895 26.242 ( 1.192 5.957 -5.987) 8.530 26.999 ( -3.650 -3.659 3.442) 6.209 27.077 ( 1.758 6.289 0.236) 6.534 27.282 ( -1.129 -4.233 -3.018) 5.320 28.142 ( -1.884 10.115 -22.576) 24.810 29.364 ( -0.249 -5.010 2.682) 5.689 29.557 ( 2.819 0.560 1.843) 3.414 29.840 ( 2.513 -0.147 -5.781) 6.305 29.909 ( 3.757 -3.815 -2.433) 5.881 30.355 ( -0.597 2.914 -13.209) 13.540 30.483 ( 0.828 -0.072 -9.844) 9.879 31.037 ( 4.558 1.275 15.120) 15.843 31.251 ( 5.079 -4.114 5.545) 8.571 31.511 ( -0.370 2.597 21.127) 21.289 31.715 ( -2.458 7.264 27.025) 28.091 32.195 ( 8.181 -15.387 -2.756) 17.643 33.914 ( -29.804 19.171 -8.970) 36.555 ======================= Grid point 113 (42/100) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 11.795 -8.878 4.121) 15.327 3.517 ( 5.938 -1.578 1.650) 6.362 3.624 ( 7.765 -6.030 0.510) 9.845 3.772 ( -3.570 8.433 3.200) 9.701 3.878 ( -0.761 -3.515 2.594) 4.434 4.007 ( -3.595 9.249 5.857) 11.523 4.135 ( -8.945 0.755 2.458) 9.308 4.363 ( -0.329 1.860 -1.062) 2.167 4.440 ( -4.564 -2.347 1.721) 5.413 5.042 ( 2.614 -6.593 -14.411) 16.062 5.132 ( 1.012 -2.653 -0.366) 2.863 5.317 ( -2.201 4.551 -8.019) 9.479 5.525 ( 2.208 -5.073 -2.884) 6.239 5.615 ( 0.483 0.162 5.952) 5.974 5.811 ( 5.236 -5.197 -0.307) 7.384 5.966 ( -0.173 0.263 -3.488) 3.503 6.092 ( 0.718 -0.442 0.239) 0.876 6.262 ( -0.599 10.253 6.450) 12.128 6.367 ( 4.684 2.331 -4.744) 7.062 6.617 ( 2.652 -4.363 -1.368) 5.286 6.732 ( 2.310 -2.714 12.857) 13.342 7.312 ( 2.562 -2.628 6.979) 7.886 7.430 ( -0.729 5.263 8.947) 10.406 7.484 ( -1.732 -1.347 6.257) 6.631 7.619 ( 1.779 0.569 14.586) 14.705 7.705 ( 0.561 -2.220 4.972) 5.474 7.949 ( -3.217 -4.734 -6.298) 8.511 8.195 ( -2.557 0.623 -7.573) 8.017 8.220 ( -3.252 6.051 -2.846) 7.436 8.453 ( -12.320 -0.937 -2.661) 12.639 8.983 ( 5.251 -4.072 -3.172) 7.363 9.062 ( -1.315 5.257 -0.706) 5.465 9.199 ( 3.446 -0.359 -7.031) 7.839 9.416 ( -1.067 0.802 -15.028) 15.087 9.930 ( -0.056 3.073 -10.210) 10.663 10.294 ( -2.116 -4.137 -12.072) 12.935 10.620 ( 1.378 5.990 14.229) 15.500 10.791 ( -8.452 1.904 0.398) 8.673 10.994 ( -2.567 3.667 4.407) 6.282 11.193 ( 0.872 3.210 -0.298) 3.339 11.284 ( 2.367 2.639 1.801) 3.976 11.407 ( 0.145 -7.471 9.937) 12.433 11.569 ( 5.030 4.543 8.698) 11.027 11.827 ( -5.461 -2.658 -0.258) 6.079 11.913 ( -6.376 -1.011 5.344) 8.381 12.570 ( 0.130 -4.150 -12.690) 13.352 12.819 ( -4.631 -0.253 -17.236) 17.850 13.831 ( 7.483 4.017 -23.253) 24.755 14.386 ( -3.998 -0.748 17.351) 17.821 14.605 ( 0.076 -7.701 15.363) 17.186 15.359 ( 8.755 4.139 -2.007) 9.890 15.543 ( 0.140 -0.196 0.051) 0.246 16.435 ( 1.025 -2.924 0.418) 3.127 16.595 ( 4.343 0.340 -1.473) 4.598 16.761 ( -1.968 0.904 -0.521) 2.228 16.935 ( 2.427 1.428 -3.011) 4.123 18.340 ( 0.295 -1.922 1.049) 2.210 18.489 ( 0.722 1.178 -1.387) 1.958 18.952 ( -0.664 -1.397 2.927) 3.311 19.026 ( 5.888 1.561 1.367) 6.243 19.240 ( -2.037 -4.619 0.179) 5.051 19.346 ( -8.253 5.204 -1.817) 9.924 19.719 ( -2.372 0.964 0.244) 2.572 19.738 ( -2.817 -0.363 -0.048) 2.841 20.701 ( 0.054 2.003 -2.510) 3.212 20.801 ( -1.375 1.180 -1.458) 2.325 20.970 ( 0.907 -4.099 5.793) 7.154 21.403 ( 3.069 0.603 -1.794) 3.606 24.384 ( -0.004 -0.393 0.296) 0.492 24.418 ( 0.058 0.499 -0.253) 0.563 25.239 ( 2.687 1.176 4.709) 5.548 25.353 ( -1.228 -1.824 6.390) 6.758 25.838 ( -1.439 -13.292 -3.680) 13.867 26.143 ( 0.580 6.713 -4.259) 7.971 26.958 ( 1.498 7.570 1.200) 7.809 27.045 ( -2.046 -3.766 3.041) 5.256 27.392 ( -1.016 -10.014 -6.683) 12.082 27.950 ( -1.379 9.953 -14.337) 17.508 29.436 ( 0.334 -3.170 1.783) 3.652 29.558 ( 1.582 1.717 1.681) 2.876 29.873 ( 3.106 -0.115 -8.444) 8.998 30.021 ( 2.004 -5.382 -4.167) 7.095 30.279 ( -1.566 4.544 -13.918) 14.724 30.464 ( -2.151 1.081 -6.338) 6.780 31.069 ( 3.442 -0.384 21.975) 22.246 31.325 ( 1.004 0.031 12.070) 12.112 31.395 ( -3.248 4.238 22.186) 22.819 31.677 ( 7.599 4.545 8.349) 12.169 32.612 ( 7.839 -23.464 -6.063) 25.471 33.323 ( -21.080 19.282 -8.908) 29.925 ======================= Grid point 114 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -1.955 13.150 4.061) 13.901 3.484 ( -0.314 4.591 0.809) 4.672 3.578 ( 1.777 -1.554 3.755) 4.436 3.610 ( -2.930 20.816 6.075) 21.882 3.941 ( 4.776 -12.450 2.465) 13.560 4.089 ( -0.911 -10.846 2.358) 11.137 4.192 ( 1.067 -8.876 5.528) 10.511 4.343 ( 1.073 3.073 -2.823) 4.309 4.425 ( -3.134 -0.774 1.073) 3.402 5.111 ( 0.089 6.033 -9.974) 11.657 5.164 ( 0.012 -4.184 -14.291) 14.891 5.247 ( 0.969 -1.975 -1.092) 2.456 5.564 ( 1.355 0.059 0.298) 1.389 5.645 ( -2.452 -0.587 9.220) 9.559 5.799 ( -0.846 12.953 1.120) 13.028 5.931 ( -1.757 -0.022 -4.129) 4.487 6.046 ( -1.563 7.120 -1.988) 7.556 6.117 ( -0.214 -1.602 1.095) 1.953 6.281 ( 0.592 7.192 -5.740) 9.221 6.746 ( 0.345 -4.213 14.026) 14.649 6.995 ( 19.386 -10.619 -0.571) 22.111 7.324 ( -1.900 2.094 15.785) 16.036 7.383 ( 0.428 -0.373 3.059) 3.111 7.480 ( -4.155 -1.288 4.371) 6.167 7.639 ( 4.035 1.083 14.269) 14.868 7.790 ( -3.640 -5.753 10.308) 12.353 7.870 ( -4.533 2.733 -5.019) 7.295 8.112 ( -3.346 0.445 -8.057) 8.735 8.134 ( -4.664 0.734 -5.717) 7.415 8.533 ( 0.447 -10.807 -3.062) 11.241 8.850 ( -1.914 11.586 -0.661) 11.761 9.124 ( 2.416 -2.931 -8.707) 9.499 9.238 ( 2.224 -0.981 -5.990) 6.464 9.349 ( -2.954 5.387 -11.517) 13.053 9.917 ( 0.748 -1.359 -8.291) 8.434 10.339 ( -0.567 -2.415 -13.089) 13.322 10.627 ( 2.039 -5.045 9.256) 10.737 10.744 ( -3.188 -2.990 -0.413) 4.391 10.977 ( 0.744 -2.298 5.494) 6.002 11.181 ( 3.196 0.464 0.944) 3.365 11.238 ( -0.416 2.976 2.024) 3.623 11.516 ( 3.459 1.830 8.291) 9.169 11.559 ( 1.015 -4.002 10.939) 11.693 11.847 ( -1.932 -3.976 1.161) 4.570 11.905 ( -4.471 -4.207 4.870) 7.837 12.649 ( 5.323 -1.173 -14.480) 15.472 12.784 ( -8.617 -4.121 -16.723) 19.259 13.816 ( 4.190 4.867 -22.328) 23.234 14.359 ( -2.849 -0.132 16.718) 16.960 14.673 ( -0.336 -1.085 16.463) 16.502 15.316 ( 4.628 9.344 -3.432) 10.978 15.536 ( -2.287 -0.513 1.319) 2.689 16.490 ( 1.009 -2.210 0.314) 2.450 16.607 ( 5.008 3.228 -0.228) 5.963 16.709 ( -4.560 1.733 -1.151) 5.012 16.910 ( 0.489 2.959 -3.236) 4.412 18.361 ( -0.214 -0.363 0.705) 0.822 18.463 ( -0.087 2.035 -0.989) 2.265 18.893 ( -0.163 3.952 3.456) 5.252 19.096 ( 5.250 -1.963 -0.261) 5.611 19.215 ( -5.409 1.922 0.608) 5.772 19.399 ( 0.265 -12.156 -2.012) 12.324 19.710 ( -0.767 -1.786 0.345) 1.974 19.746 ( -1.034 -2.724 -0.267) 2.926 20.678 ( 0.184 0.327 -2.094) 2.128 20.768 ( -1.079 1.305 -1.972) 2.599 21.019 ( 0.492 -0.521 5.105) 5.155 21.398 ( 1.142 2.365 -1.067) 2.835 24.393 ( -0.018 -0.477 0.134) 0.496 24.407 ( 0.013 0.667 -0.098) 0.674 25.239 ( 1.985 1.416 6.417) 6.865 25.344 ( -3.128 -0.298 6.610) 7.319 25.981 ( 3.214 4.032 -3.889) 6.458 26.053 ( -3.057 -3.464 -5.039) 6.836 26.864 ( 0.821 3.829 2.293) 4.538 27.097 ( -0.469 -3.364 2.546) 4.245 27.597 ( -0.062 -13.913 -12.877) 18.957 27.783 ( -0.273 8.588 -9.295) 12.658 29.473 ( 0.370 -0.689 0.001) 0.782 29.534 ( 0.622 2.253 1.763) 2.927 29.882 ( 1.931 2.752 -13.906) 14.306 30.115 ( 1.909 -2.642 -6.980) 7.704 30.179 ( -2.526 3.969 -10.581) 11.579 30.431 ( -2.582 -0.802 0.673) 2.786 31.102 ( 2.296 0.943 25.063) 25.186 31.274 ( -1.730 2.209 23.299) 23.467 31.351 ( 0.439 1.778 1.794) 2.564 31.663 ( 3.981 3.158 14.299) 15.175 32.784 ( -6.094 18.117 -7.547) 20.550 33.217 ( 1.712 -31.567 -8.028) 32.617 ======================= Grid point 115 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 0.000 29.411 10.077) 31.090 3.123 ( 0.000 31.429 8.070) 32.448 3.412 ( 0.000 3.102 -0.294) 3.116 3.831 ( -0.000 -20.281 1.376) 20.327 4.183 ( 0.000 6.913 7.189) 9.974 4.190 ( -0.000 -14.227 1.433) 14.299 4.272 ( -0.000 -0.099 -6.703) 6.703 4.325 ( -0.000 -0.546 7.557) 7.577 4.405 ( 0.000 0.997 0.861) 1.317 5.082 ( -0.000 -4.391 -8.056) 9.175 5.222 ( -0.000 -2.663 -12.148) 12.437 5.254 ( 0.000 16.151 14.181) 21.493 5.315 ( 0.000 7.297 -8.833) 11.457 5.565 ( 0.000 1.575 2.005) 2.549 5.813 ( -0.000 -6.421 4.141) 7.641 5.935 ( -0.000 -0.221 -7.488) 7.491 5.989 ( -0.000 -0.704 -2.316) 2.421 6.085 ( 0.000 3.410 -3.447) 4.849 6.242 ( -0.000 -2.175 -0.634) 2.266 6.781 ( 0.000 0.959 14.418) 14.450 7.226 ( 0.000 0.846 -9.567) 9.604 7.271 ( 0.000 0.835 14.787) 14.810 7.336 ( 0.000 2.142 1.021) 2.373 7.489 ( -0.000 -2.646 5.323) 5.945 7.613 ( 0.000 2.761 16.969) 17.192 7.856 ( -0.000 -8.155 7.094) 10.809 7.936 ( -0.000 -3.180 -3.302) 4.584 8.085 ( 0.000 0.739 -6.515) 6.557 8.094 ( 0.000 0.074 -5.255) 5.256 8.665 ( 0.000 4.816 -2.611) 5.478 8.741 ( -0.000 -8.168 -10.854) 13.584 9.111 ( 0.000 5.560 -11.738) 12.988 9.175 ( 0.000 9.471 -9.706) 13.561 9.338 ( -0.000 -7.715 -1.366) 7.835 9.991 ( -0.000 -6.936 -3.872) 7.943 10.382 ( -0.000 -3.130 -13.698) 14.051 10.793 ( -0.000 -3.236 3.148) 4.514 10.798 ( -0.000 -12.879 10.376) 16.539 11.067 ( -0.000 -7.374 5.223) 9.036 11.167 ( 0.000 2.714 -0.191) 2.721 11.256 ( -0.000 -5.379 3.306) 6.313 11.520 ( -0.000 -1.206 14.634) 14.684 11.637 ( -0.000 -4.244 3.240) 5.339 11.900 ( -0.000 -2.739 0.360) 2.763 11.968 ( -0.000 -5.301 4.577) 7.003 12.667 ( 0.000 1.886 -12.448) 12.590 12.838 ( -0.000 -6.845 -17.658) 18.938 13.732 ( 0.000 7.798 -21.233) 22.620 14.341 ( 0.000 0.465 14.862) 14.870 14.661 ( 0.000 1.873 16.508) 16.614 15.153 ( 0.000 11.382 -2.914) 11.749 15.486 ( 0.000 5.675 1.686) 5.921 16.520 ( -0.000 -0.307 -0.249) 0.395 16.591 ( 0.000 2.778 1.133) 3.000 16.617 ( 0.000 4.502 -1.764) 4.836 16.852 ( 0.000 3.816 -3.131) 4.936 18.340 ( 0.000 2.807 0.589) 2.868 18.428 ( 0.000 1.762 -0.844) 1.954 18.852 ( 0.000 1.133 5.038) 5.164 19.137 ( 0.000 2.201 3.492) 4.128 19.215 ( -0.000 -7.303 -1.490) 7.453 19.616 ( -0.000 -12.169 -4.240) 12.887 19.762 ( -0.000 -4.462 0.268) 4.470 19.804 ( -0.000 -4.322 -0.441) 4.344 20.701 ( -0.000 -2.917 -2.626) 3.924 20.741 ( 0.000 1.020 -1.153) 1.539 20.998 ( 0.000 2.864 2.923) 4.092 21.345 ( 0.000 4.442 -0.276) 4.451 24.388 ( 0.000 0.711 0.179) 0.733 24.408 ( -0.000 -0.517 -0.136) 0.535 25.228 ( 0.000 1.448 6.544) 6.702 25.325 ( -0.000 -0.073 5.389) 5.390 25.843 ( 0.000 9.716 -2.745) 10.097 26.120 ( -0.000 -2.346 -7.284) 7.653 26.860 ( -0.000 -2.903 2.719) 3.978 27.142 ( -0.000 -2.076 2.244) 3.057 27.648 ( 0.000 7.277 -6.100) 9.496 27.823 ( -0.000 -11.080 -21.724) 24.386 29.471 ( 0.000 0.743 -1.455) 1.634 29.498 ( 0.000 2.213 2.056) 3.021 29.802 ( 0.000 7.631 -16.824) 18.474 30.081 ( 0.000 4.094 -10.354) 11.134 30.176 ( -0.000 -1.853 -4.107) 4.506 30.452 ( -0.000 -2.874 3.219) 4.315 31.040 ( 0.000 7.548 15.813) 17.522 31.247 ( 0.000 0.118 16.834) 16.834 31.318 ( 0.000 3.511 2.922) 4.568 31.709 ( -0.000 -8.589 36.020) 37.030 32.429 ( 0.000 18.588 -6.258) 19.613 33.847 ( -0.000 -38.441 -8.330) 39.333 ======================= Grid point 120 (45/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 35.143 0.000 14.579) 38.047 2.782 ( 33.184 0.000 12.449) 35.442 3.504 ( 2.030 0.000 1.971) 2.830 3.830 ( 4.975 0.000 -8.648) 9.977 3.917 ( 13.577 0.000 8.379) 15.955 4.240 ( 0.485 0.000 9.127) 9.140 4.299 ( -1.820 -0.000 6.538) 6.786 4.464 ( -27.374 -0.000 0.632) 27.381 4.760 ( -12.112 -0.000 2.724) 12.415 4.764 ( -5.040 -0.000 -9.373) 10.642 4.957 ( 18.120 0.000 5.928) 19.065 5.200 ( -6.560 -0.000 1.301) 6.688 5.231 ( -1.744 -0.000 -5.140) 5.428 5.671 ( -4.588 -0.000 -8.689) 9.826 5.775 ( -3.628 -0.000 1.100) 3.791 5.843 ( -2.194 -0.000 3.832) 4.416 6.072 ( 9.480 0.000 6.496) 11.492 6.076 ( 0.692 0.000 4.468) 4.522 6.627 ( 0.631 0.000 -0.795) 1.015 6.845 ( -1.855 -0.000 -15.639) 15.749 6.852 ( 3.121 0.000 -15.951) 16.254 7.080 ( 3.649 0.000 6.064) 7.077 7.445 ( -9.396 -0.000 1.008) 9.450 7.572 ( -1.746 -0.000 -5.159) 5.447 7.629 ( -3.437 -0.000 -1.412) 3.716 7.719 ( -3.918 -0.000 16.573) 17.030 7.770 ( -2.590 -0.000 10.796) 11.102 8.051 ( 8.599 0.000 -5.449) 10.180 8.546 ( -9.332 -0.000 -3.125) 9.842 8.665 ( 16.070 0.000 2.431) 16.253 8.887 ( 4.764 0.000 -8.321) 9.589 8.891 ( -6.463 -0.000 -20.344) 21.346 9.177 ( 2.193 0.000 -4.806) 5.283 9.557 ( 4.929 0.000 -17.699) 18.373 10.148 ( -18.781 -0.000 9.110) 20.874 10.287 ( -6.119 -0.000 -8.725) 10.656 10.856 ( -2.691 -0.000 11.834) 12.136 10.992 ( 4.836 0.000 21.661) 22.194 11.050 ( -13.440 -0.000 -1.555) 13.530 11.227 ( -14.689 -0.000 3.028) 14.998 11.387 ( -5.362 -0.000 -3.504) 6.406 11.524 ( -6.239 -0.000 10.016) 11.800 11.549 ( 2.894 0.000 5.189) 5.942 11.909 ( -0.957 -0.000 -4.429) 4.531 12.058 ( -5.880 -0.000 7.867) 9.821 12.416 ( -0.164 -0.000 -9.172) 9.173 12.918 ( 1.604 0.000 -14.590) 14.677 13.924 ( 9.759 0.000 -20.638) 22.829 14.090 ( 4.274 0.000 12.787) 13.482 14.407 ( -4.861 -0.000 18.214) 18.852 15.353 ( 5.808 0.000 -7.993) 9.880 15.489 ( 18.792 0.000 -3.916) 19.196 16.307 ( -0.204 -0.000 -1.146) 1.164 16.442 ( 2.797 0.000 -1.592) 3.218 16.844 ( 2.732 0.000 -0.144) 2.736 16.915 ( 5.441 0.000 -1.679) 5.694 18.248 ( 2.481 0.000 1.932) 3.145 18.489 ( 3.441 0.000 -1.983) 3.972 18.718 ( 2.602 0.000 9.647) 9.992 18.964 ( -3.753 -0.000 7.003) 7.945 19.386 ( -7.708 -0.000 -3.008) 8.274 19.826 ( -4.824 -0.000 -0.144) 4.827 19.827 ( -4.959 -0.000 -1.703) 5.244 19.876 ( -8.597 -0.000 -6.785) 10.952 20.647 ( 1.169 0.000 8.330) 8.412 20.744 ( -1.229 -0.000 0.301) 1.265 20.919 ( -2.145 -0.000 -3.215) 3.864 21.359 ( 6.365 0.000 -4.152) 7.600 24.397 ( -0.007 -0.000 0.097) 0.098 24.408 ( 0.077 0.000 -0.083) 0.113 25.026 ( 4.376 0.000 3.401) 5.542 25.281 ( 4.863 0.000 -1.100) 4.986 25.397 ( -2.202 -0.000 6.970) 7.310 26.355 ( 0.085 0.000 -8.094) 8.094 26.911 ( -4.347 -0.000 4.800) 6.475 27.175 ( 2.063 0.000 -0.360) 2.094 27.256 ( 0.266 0.000 -0.599) 0.655 28.359 ( -3.139 -0.000 -32.740) 32.891 29.233 ( 1.042 0.000 3.366) 3.524 29.564 ( 4.053 0.000 3.293) 5.222 29.746 ( -2.962 -0.000 -5.424) 6.179 29.982 ( 8.531 0.000 -0.757) 8.564 30.388 ( -0.706 -0.000 -12.254) 12.275 30.466 ( 4.072 0.000 -5.893) 7.163 31.093 ( 5.796 0.000 5.436) 7.946 31.153 ( 8.004 0.000 4.773) 9.319 31.480 ( 0.577 0.000 8.563) 8.582 31.891 ( -20.496 -0.000 50.801) 54.780 31.977 ( 16.285 0.000 -2.376) 16.457 34.270 ( -35.615 -0.000 -8.642) 36.648 ======================= Grid point 121 (46/100) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 31.190 -3.224 8.824) 32.574 3.146 ( 24.765 -7.768 10.753) 28.094 3.575 ( 0.681 -6.023 4.393) 7.486 3.798 ( 1.205 6.623 -4.456) 8.073 3.961 ( -7.391 0.709 5.134) 9.027 4.178 ( -14.754 -0.965 0.389) 14.790 4.256 ( -6.303 0.425 5.734) 8.532 4.314 ( -5.707 -3.754 3.616) 7.729 4.547 ( -5.604 8.214 0.680) 9.967 4.824 ( -0.128 -5.653 -7.742) 9.587 5.084 ( 1.551 2.074 5.472) 6.054 5.218 ( 3.769 -3.984 -1.730) 5.751 5.295 ( 11.503 -4.985 -1.811) 12.667 5.639 ( -2.582 -1.680 -7.494) 8.103 5.779 ( 0.316 0.294 2.456) 2.494 5.861 ( -3.613 -6.500 1.427) 7.572 6.080 ( 0.722 0.316 5.801) 5.855 6.189 ( 11.094 -1.500 3.690) 11.788 6.540 ( -2.366 7.869 -4.676) 9.454 6.788 ( 1.893 5.455 -5.468) 7.952 6.808 ( -1.346 4.504 -9.989) 11.040 7.170 ( 4.377 -4.302 7.258) 9.505 7.390 ( -7.710 -2.977 1.311) 8.368 7.541 ( -1.977 0.594 -3.713) 4.248 7.649 ( -6.017 -2.495 2.662) 7.037 7.653 ( -1.382 -1.197 14.560) 14.675 7.855 ( 0.019 -8.573 8.716) 12.226 8.056 ( 6.508 6.208 -6.331) 10.999 8.413 ( -5.612 5.036 -1.332) 7.657 8.700 ( -13.382 7.070 -13.508) 20.286 8.852 ( 10.513 -3.164 -0.788) 11.007 8.986 ( 0.017 -4.524 -6.446) 7.876 9.201 ( 6.264 -0.181 -4.924) 7.969 9.551 ( -0.108 5.347 -13.592) 14.606 10.005 ( -5.458 -0.471 -3.526) 6.515 10.228 ( -5.225 1.202 -11.621) 12.798 10.879 ( -9.647 0.569 -0.334) 9.670 10.947 ( 0.049 -0.444 15.132) 15.138 10.982 ( -0.737 -1.268 13.679) 13.758 11.095 ( -8.976 1.492 3.163) 9.633 11.318 ( -3.111 2.725 -3.839) 5.643 11.463 ( -2.884 1.674 11.193) 11.679 11.590 ( 3.633 -1.249 5.387) 6.616 11.868 ( -1.623 3.576 -3.446) 5.224 11.973 ( -5.521 2.764 8.745) 10.705 12.431 ( -0.830 -2.001 -9.878) 10.113 12.909 ( 1.338 2.641 -15.277) 15.562 13.979 ( 7.183 3.409 -22.829) 24.174 14.209 ( 2.461 -9.624 14.982) 17.976 14.365 ( -3.857 -0.298 18.939) 19.330 15.406 ( 4.241 -0.154 -5.679) 7.090 15.625 ( 12.214 2.593 -5.404) 13.606 16.329 ( 0.045 -2.526 -0.790) 2.647 16.495 ( 2.123 -3.250 -2.166) 4.446 16.845 ( 1.317 2.267 -0.057) 2.623 16.960 ( 4.100 0.255 -2.107) 4.617 18.279 ( 1.543 -1.121 1.769) 2.601 18.514 ( 2.148 0.395 -1.998) 2.960 18.786 ( 3.281 -4.476 7.266) 9.143 18.941 ( -3.600 -1.893 5.904) 7.169 19.310 ( -4.025 1.854 -2.706) 5.193 19.684 ( -6.986 10.395 -5.629) 13.732 19.770 ( -3.850 1.663 0.059) 4.194 19.782 ( -3.560 1.401 -0.178) 3.830 20.691 ( 0.168 -2.573 4.418) 5.115 20.779 ( 0.472 -4.770 3.287) 5.812 20.881 ( -1.400 2.297 -2.045) 3.379 21.410 ( 4.235 0.131 -3.973) 5.809 24.388 ( -0.035 0.583 0.241) 0.632 24.416 ( 0.090 -0.543 -0.217) 0.591 25.162 ( 4.213 -9.548 2.732) 10.788 25.296 ( 3.519 2.103 1.674) 4.428 25.420 ( -3.811 -5.053 5.157) 8.164 26.327 ( -0.031 3.090 -6.249) 6.972 26.899 ( -3.472 -3.118 4.607) 6.557 27.173 ( 1.580 2.656 -0.357) 3.110 27.252 ( 0.149 0.391 -1.079) 1.157 28.262 ( -3.596 6.386 -24.918) 25.973 29.280 ( 0.327 -4.066 2.935) 5.026 29.595 ( 2.859 0.515 2.990) 4.169 29.759 ( -1.938 -4.168 -6.413) 7.890 30.014 ( 6.744 4.039 2.106) 8.138 30.371 ( -1.262 1.028 -14.758) 14.848 30.510 ( 2.658 -0.311 -8.178) 8.605 31.110 ( 3.381 2.668 9.317) 10.265 31.248 ( 5.839 -2.553 5.970) 8.732 31.508 ( -2.029 -0.892 22.604) 22.712 31.727 ( -7.241 -0.672 24.581) 25.634 32.159 ( 15.227 -2.522 -3.178) 15.758 33.858 ( -29.803 9.165 -9.439) 32.578 ======================= Grid point 122 (47/100) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 16.156 0.243 3.977) 16.640 3.496 ( 13.335 -10.383 6.379) 18.064 3.664 ( -3.769 1.579 2.600) 4.843 3.691 ( -0.505 -3.029 -1.295) 3.333 3.881 ( -1.807 -0.915 7.842) 8.100 4.024 ( -14.345 2.623 0.191) 14.584 4.180 ( 0.314 7.047 7.071) 9.988 4.337 ( -3.754 -4.053 0.660) 5.564 4.396 ( -1.939 4.100 0.285) 4.545 4.956 ( 4.191 -6.491 -8.555) 11.528 5.075 ( -3.405 -3.713 -0.481) 5.061 5.280 ( -2.135 -3.511 -3.114) 5.156 5.476 ( 3.924 -2.594 -5.218) 7.025 5.698 ( 1.597 4.287 2.101) 5.034 5.773 ( 6.782 -5.666 0.802) 8.874 5.949 ( -2.428 -4.868 -4.898) 7.321 6.075 ( -1.882 -0.030 4.714) 5.076 6.298 ( -1.207 -1.616 -4.238) 4.693 6.463 ( 13.225 2.413 4.618) 14.214 6.661 ( -2.789 6.782 -8.518) 11.240 6.742 ( 0.270 2.887 10.570) 10.960 7.283 ( 3.259 -3.789 5.739) 7.610 7.379 ( -5.932 -3.706 3.802) 7.961 7.530 ( 0.720 2.042 3.638) 4.234 7.587 ( -2.212 -0.087 11.586) 11.796 7.692 ( -4.320 -3.568 5.646) 7.954 7.991 ( 12.780 3.483 0.333) 13.250 8.081 ( -1.648 -9.294 -5.705) 11.029 8.285 ( -2.501 4.880 -1.272) 5.630 8.375 ( -18.098 10.540 -3.614) 21.253 8.979 ( 5.648 -2.807 -3.344) 7.139 9.059 ( 0.283 -3.259 -4.994) 5.970 9.290 ( 6.901 0.972 -8.944) 11.339 9.411 ( -4.918 4.449 -11.219) 13.032 9.989 ( 0.167 2.495 -13.583) 13.811 10.197 ( -2.091 -3.609 -10.966) 11.733 10.747 ( -4.935 3.748 0.927) 6.266 10.809 ( 0.357 11.029 19.647) 22.534 10.998 ( -4.028 1.338 4.234) 5.996 11.175 ( -0.964 -13.626 1.679) 13.763 11.248 ( -0.318 3.123 -2.431) 3.971 11.407 ( 0.118 3.661 10.514) 11.134 11.660 ( 5.535 -1.286 6.066) 8.311 11.778 ( -3.458 2.634 0.355) 4.361 11.867 ( -4.928 3.448 7.887) 9.919 12.471 ( -1.171 -4.260 -11.443) 12.266 12.858 ( 0.481 4.207 -16.303) 16.844 13.960 ( 3.817 4.607 -23.776) 24.517 14.343 ( -2.281 -0.628 19.165) 19.310 14.429 ( 0.773 -12.629 15.663) 20.135 15.441 ( 2.708 -0.224 -1.771) 3.243 15.630 ( 4.155 6.134 -5.548) 9.256 16.385 ( 0.280 -3.546 -0.059) 3.558 16.583 ( 1.589 -4.390 -2.663) 5.375 16.798 ( -0.025 3.784 0.328) 3.798 16.980 ( 1.984 1.087 -2.697) 3.520 18.313 ( 0.464 -1.590 1.367) 2.147 18.516 ( 0.748 1.041 -1.834) 2.238 18.906 ( 1.965 -3.905 5.326) 6.891 18.983 ( -0.729 -7.579 2.424) 7.990 19.250 ( 0.167 2.857 -1.855) 3.410 19.414 ( -5.957 12.433 -2.396) 13.994 19.716 ( -1.857 1.122 0.213) 2.180 19.727 ( -1.735 1.673 -0.058) 2.411 20.718 ( 0.039 -0.430 -0.572) 0.716 20.823 ( -0.686 2.678 -0.452) 2.801 20.887 ( 0.540 -6.151 5.488) 8.261 21.437 ( 1.982 0.387 -3.131) 3.725 24.381 ( -0.020 0.118 0.361) 0.381 24.423 ( 0.052 -0.051 -0.310) 0.318 25.289 ( 2.193 1.169 2.313) 3.395 25.326 ( 1.712 -1.745 7.827) 8.200 25.545 ( -3.097 -16.085 -1.151) 16.420 26.256 ( 0.272 5.314 -4.803) 7.168 26.944 ( -1.585 -4.848 3.741) 6.325 27.104 ( 0.776 6.751 -0.002) 6.795 27.270 ( -0.252 -3.370 -2.695) 4.323 28.100 ( -1.521 9.001 -18.080) 20.253 29.363 ( 0.013 -5.085 2.721) 5.767 29.599 ( 1.216 1.377 2.499) 3.102 29.834 ( -0.661 -5.330 -6.224) 8.221 30.016 ( 3.940 1.092 1.709) 4.431 30.323 ( -1.661 2.989 -16.545) 16.894 30.505 ( 0.781 2.921 -10.871) 11.284 31.097 ( 1.523 1.213 16.552) 16.666 31.336 ( 3.415 -1.744 9.248) 10.012 31.421 ( -4.726 3.863 30.882) 31.480 31.778 ( 3.468 -2.074 4.674) 6.179 32.377 ( 8.139 -10.842 -4.811) 14.385 33.418 ( -16.890 14.144 -9.538) 24.007 ======================= Grid point 123 (48/100) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -0.000 -0.249 3.524) 3.533 3.548 ( 0.000 4.608 -0.098) 4.609 3.748 ( 0.000 13.797 2.961) 14.111 3.779 ( -0.000 -8.935 1.593) 9.075 3.832 ( -0.000 -10.665 5.086) 11.816 3.928 ( 0.000 7.178 2.011) 7.454 4.076 ( -0.000 -2.770 9.847) 10.229 4.363 ( 0.000 0.117 -0.921) 0.928 4.377 ( -0.000 -2.833 -0.011) 2.833 5.079 ( -0.000 -5.338 -8.920) 10.395 5.147 ( -0.000 -4.619 -7.378) 8.704 5.276 ( 0.000 3.772 -5.863) 6.971 5.530 ( -0.000 -2.989 -4.416) 5.333 5.611 ( 0.000 1.973 8.900) 9.116 5.909 ( -0.000 -2.125 -1.783) 2.774 5.957 ( 0.000 3.389 -7.416) 8.154 6.062 ( -0.000 -2.034 4.254) 4.715 6.219 ( 0.000 9.550 2.869) 9.972 6.460 ( 0.000 10.321 -8.928) 13.647 6.669 ( -0.000 -5.719 9.920) 11.451 6.810 ( -0.000 -14.926 8.578) 17.215 7.340 ( -0.000 -0.594 7.117) 7.141 7.410 ( -0.000 -3.371 5.513) 6.462 7.446 ( 0.000 5.908 9.026) 10.788 7.653 ( -0.000 -6.306 6.222) 8.859 7.700 ( 0.000 0.530 12.037) 12.048 7.956 ( 0.000 9.294 -4.492) 10.323 8.099 ( 0.000 4.267 -3.571) 5.564 8.176 ( 0.000 2.875 -6.916) 7.490 8.319 ( -0.000 -12.303 1.178) 12.360 9.030 ( 0.000 8.038 -2.645) 8.462 9.076 ( -0.000 -4.534 -6.216) 7.694 9.239 ( 0.000 2.062 -7.533) 7.810 9.396 ( 0.000 0.176 -14.155) 14.156 9.933 ( 0.000 2.690 -11.558) 11.867 10.276 ( -0.000 -4.913 -13.378) 14.252 10.645 ( 0.000 6.104 15.606) 16.757 10.692 ( -0.000 -0.007 -0.141) 0.141 10.964 ( 0.000 0.475 4.814) 4.837 11.203 ( 0.000 1.530 0.692) 1.679 11.328 ( 0.000 5.508 4.644) 7.204 11.389 ( -0.000 -10.769 1.020) 10.817 11.660 ( 0.000 6.525 11.967) 13.630 11.774 ( -0.000 -4.392 3.311) 5.500 11.809 ( -0.000 -1.766 5.241) 5.530 12.565 ( -0.000 -7.422 -13.915) 15.770 12.781 ( 0.000 4.613 -16.398) 17.034 13.907 ( 0.000 3.848 -23.037) 23.356 14.340 ( -0.000 -0.440 18.451) 18.457 14.608 ( -0.000 -7.098 15.795) 17.316 15.482 ( -0.000 -2.627 0.860) 2.764 15.510 ( 0.000 9.187 -5.048) 10.482 16.447 ( -0.000 -3.319 0.396) 3.342 16.658 ( -0.000 -2.621 -2.740) 3.792 16.722 ( 0.000 4.512 0.769) 4.577 16.960 ( 0.000 2.293 -3.117) 3.869 18.342 ( -0.000 -1.522 1.042) 1.844 18.496 ( 0.000 1.644 -1.494) 2.222 18.942 ( 0.000 0.292 3.063) 3.077 19.165 ( -0.000 -9.727 -0.044) 9.727 19.177 ( 0.000 8.230 0.032) 8.230 19.230 ( -0.000 -0.575 -0.946) 1.107 19.694 ( 0.000 0.394 0.241) 0.462 19.708 ( -0.000 -0.825 0.005) 0.825 20.702 ( 0.000 1.921 -2.170) 2.898 20.786 ( 0.000 1.331 -0.864) 1.586 20.981 ( -0.000 -4.098 5.855) 7.146 21.434 ( 0.000 1.125 -2.073) 2.358 24.384 ( -0.000 -0.405 0.310) 0.510 24.419 ( 0.000 0.529 -0.256) 0.587 25.277 ( 0.000 1.568 4.523) 4.787 25.330 ( 0.000 0.294 8.337) 8.342 25.822 ( -0.000 -15.466 -4.247) 16.038 26.148 ( 0.000 7.463 -4.028) 8.481 26.975 ( 0.000 7.947 1.081) 8.020 27.022 ( -0.000 -4.832 2.957) 5.665 27.382 ( -0.000 -10.097 -6.577) 12.050 27.935 ( 0.000 9.335 -13.108) 16.092 29.440 ( -0.000 -3.481 1.776) 3.908 29.575 ( 0.000 2.042 2.038) 2.885 29.898 ( -0.000 -1.902 -7.708) 7.939 30.063 ( -0.000 -3.793 -1.686) 4.151 30.245 ( 0.000 4.685 -15.996) 16.668 30.445 ( 0.000 3.375 -7.613) 8.328 31.103 ( -0.000 -0.857 22.885) 22.901 31.318 ( 0.000 3.854 29.358) 29.610 31.378 ( 0.000 0.288 3.856) 3.867 31.769 ( 0.000 4.988 5.981) 7.787 32.723 ( -0.000 -24.621 -6.700) 25.517 33.065 ( 0.000 17.296 -8.823) 19.417 ======================= Grid point 131 (49/100) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 33.570 0.000 8.099) 34.534 3.300 ( 18.659 0.000 14.835) 23.838 3.508 ( -3.158 -0.000 7.754) 8.372 3.865 ( -11.669 -0.000 -2.924) 12.030 3.893 ( -18.964 -0.000 2.140) 19.084 3.936 ( -3.364 -0.000 -0.518) 3.404 4.213 ( -2.451 -0.000 4.638) 5.246 4.257 ( -0.922 -0.000 4.426) 4.521 4.588 ( -4.570 -0.000 3.747) 5.910 4.780 ( 5.850 0.000 -5.564) 8.074 5.001 ( -10.765 -0.000 -1.628) 10.888 5.232 ( 0.185 0.000 -5.241) 5.244 5.464 ( 20.958 0.000 5.964) 21.790 5.594 ( -2.267 -0.000 -8.091) 8.403 5.742 ( -0.539 -0.000 1.021) 1.154 5.784 ( -3.855 -0.000 6.011) 7.141 6.094 ( 0.767 0.000 7.259) 7.300 6.304 ( 11.770 0.000 0.806) 11.798 6.628 ( 1.839 0.000 -4.912) 5.244 6.804 ( -8.463 -0.000 -12.056) 14.730 6.830 ( -0.103 -0.000 -15.260) 15.260 7.173 ( 5.074 0.000 6.421) 8.184 7.285 ( -6.249 -0.000 1.163) 6.356 7.526 ( -1.902 -0.000 -8.730) 8.935 7.568 ( -1.999 -0.000 3.239) 3.806 7.667 ( -1.029 -0.000 22.917) 22.940 7.727 ( -1.356 -0.000 15.864) 15.921 8.172 ( 2.915 0.000 -8.366) 8.859 8.409 ( -3.568 -0.000 -3.062) 4.702 8.634 ( -11.533 -0.000 -11.994) 16.639 8.920 ( 7.688 0.000 -2.775) 8.174 8.964 ( 2.373 0.000 -7.883) 8.232 9.249 ( 3.021 0.000 -1.165) 3.238 9.625 ( 1.790 0.000 -16.329) 16.426 9.918 ( -5.573 -0.000 0.336) 5.584 10.217 ( -1.411 -0.000 -16.460) 16.521 10.785 ( -2.750 -0.000 5.686) 6.316 10.841 ( -6.374 -0.000 0.472) 6.391 11.035 ( -4.882 -0.000 2.284) 5.390 11.075 ( 2.418 0.000 23.090) 23.216 11.319 ( -1.583 -0.000 -3.969) 4.273 11.451 ( -1.455 -0.000 12.364) 12.449 11.606 ( 2.145 0.000 5.839) 6.221 11.896 ( -0.334 -0.000 -4.393) 4.405 11.955 ( -3.556 -0.000 10.934) 11.497 12.413 ( -0.096 -0.000 -9.815) 9.816 12.943 ( 0.728 0.000 -14.811) 14.829 14.044 ( 2.735 0.000 -10.476) 10.827 14.165 ( 2.645 0.000 3.735) 4.577 14.331 ( -2.377 -0.000 19.738) 19.881 15.437 ( 2.393 0.000 -8.056) 8.404 15.749 ( 6.965 0.000 -7.014) 9.885 16.304 ( -0.049 -0.000 -1.392) 1.393 16.480 ( 0.988 0.000 -2.410) 2.605 16.876 ( 0.718 0.000 -0.004) 0.718 16.994 ( 2.239 0.000 -2.127) 3.088 18.283 ( 0.909 0.000 2.003) 2.199 18.536 ( 1.238 0.000 -2.175) 2.503 18.775 ( 2.739 0.000 5.822) 6.434 18.890 ( -3.242 -0.000 7.988) 8.621 19.294 ( -1.955 -0.000 -3.576) 4.075 19.727 ( -4.171 -0.000 -6.077) 7.370 19.756 ( -1.939 -0.000 -0.088) 1.941 19.765 ( -2.204 -0.000 -0.233) 2.216 20.664 ( 0.465 0.000 9.445) 9.456 20.741 ( 0.306 0.000 0.763) 0.822 20.891 ( -0.709 -0.000 -1.806) 1.941 21.444 ( 2.182 0.000 -4.456) 4.962 24.397 ( -0.002 -0.000 0.102) 0.102 24.409 ( 0.030 0.000 -0.096) 0.100 25.101 ( 2.563 0.000 3.038) 3.975 25.350 ( -1.874 -0.000 9.439) 9.623 25.353 ( 2.062 0.000 -1.194) 2.382 26.350 ( -0.288 -0.000 -6.076) 6.083 26.842 ( -2.084 -0.000 5.283) 5.679 27.209 ( 1.091 0.000 -0.260) 1.121 27.261 ( 0.218 0.000 -0.805) 0.834 28.282 ( -2.877 -0.000 -23.801) 23.974 29.248 ( 0.440 0.000 2.763) 2.797 29.623 ( 1.660 0.000 3.495) 3.869 29.706 ( -1.054 -0.000 -8.108) 8.177 30.109 ( 3.737 0.000 6.170) 7.214 30.371 ( -0.731 -0.000 -16.978) 16.993 30.522 ( 1.498 0.000 -5.772) 5.963 31.170 ( 1.973 0.000 5.468) 5.813 31.276 ( 3.960 0.000 4.684) 6.134 31.484 ( -0.282 -0.000 27.833) 27.835 31.630 ( -6.582 -0.000 18.112) 19.271 32.301 ( 13.029 0.000 -3.282) 13.436 33.677 ( -20.235 -0.000 -10.008) 22.575 ======================= Grid point 132 (50/100) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 0.000 6.660 0.303) 6.667 3.455 ( -0.000 -4.651 16.384) 17.032 3.527 ( -0.000 -2.775 3.754) 4.668 3.719 ( -0.000 -10.167 13.154) 16.625 3.802 ( 0.000 7.142 -4.250) 8.311 3.961 ( -0.000 -2.783 -1.820) 3.325 4.246 ( -0.000 -4.058 1.859) 4.464 4.247 ( 0.000 1.114 4.680) 4.811 4.487 ( 0.000 6.992 2.934) 7.582 4.915 ( -0.000 -7.684 -0.400) 7.694 4.937 ( -0.000 -1.534 -5.469) 5.680 5.236 ( -0.000 -0.770 -4.640) 4.704 5.504 ( 0.000 2.692 -3.634) 4.522 5.701 ( -0.000 -7.583 1.334) 7.700 5.754 ( -0.000 -0.591 3.411) 3.461 5.791 ( -0.000 -4.764 0.798) 4.830 6.088 ( 0.000 1.146 7.087) 7.179 6.341 ( 0.000 3.541 -9.046) 9.714 6.603 ( 0.000 3.770 3.272) 4.992 6.703 ( 0.000 3.376 -13.272) 13.694 6.812 ( 0.000 3.061 -1.953) 3.631 7.259 ( -0.000 -2.171 0.507) 2.229 7.261 ( -0.000 -4.479 6.035) 7.515 7.536 ( 0.000 0.233 3.535) 3.542 7.548 ( -0.000 -2.658 -6.117) 6.670 7.648 ( 0.000 1.137 22.107) 22.136 7.839 ( -0.000 -11.405 9.681) 14.960 8.168 ( 0.000 2.229 -7.676) 7.993 8.353 ( 0.000 4.160 -2.670) 4.943 8.469 ( 0.000 11.074 -6.674) 12.929 8.987 ( -0.000 -0.635 -5.182) 5.220 8.995 ( -0.000 -3.749 -5.143) 6.364 9.278 ( -0.000 -2.592 -6.015) 6.550 9.535 ( 0.000 9.337 -10.698) 14.199 9.959 ( -0.000 -5.318 -7.755) 9.403 10.183 ( 0.000 2.455 -15.340) 15.535 10.767 ( 0.000 2.075 -0.473) 2.128 10.909 ( -0.000 -11.224 5.029) 12.299 11.004 ( 0.000 9.079 23.240) 24.951 11.010 ( -0.000 -0.648 2.069) 2.168 11.292 ( 0.000 2.115 -3.909) 4.445 11.439 ( 0.000 0.708 12.194) 12.215 11.639 ( -0.000 -2.552 5.459) 6.027 11.845 ( 0.000 5.264 -0.427) 5.282 11.910 ( 0.000 3.009 8.271) 8.801 12.422 ( -0.000 -1.249 -10.256) 10.332 12.923 ( 0.000 2.646 -15.374) 15.600 14.050 ( 0.000 2.738 -21.555) 21.728 14.237 ( -0.000 -8.462 14.228) 16.554 14.322 ( -0.000 -0.405 19.978) 19.982 15.450 ( -0.000 -0.076 -5.912) 5.913 15.748 ( 0.000 4.043 -7.075) 8.149 16.329 ( -0.000 -2.715 -0.956) 2.879 16.517 ( -0.000 -3.491 -2.677) 4.399 16.856 ( 0.000 2.591 0.180) 2.597 17.003 ( 0.000 0.349 -2.350) 2.376 18.295 ( -0.000 -0.856 1.773) 1.969 18.536 ( 0.000 0.703 -2.100) 2.214 18.842 ( -0.000 -5.735 3.620) 6.782 18.883 ( -0.000 -1.433 8.049) 8.175 19.276 ( 0.000 0.946 -3.464) 3.591 19.604 ( 0.000 10.875 -4.181) 11.652 19.730 ( 0.000 1.511 0.078) 1.513 19.745 ( 0.000 1.188 -0.173) 1.200 20.693 ( -0.000 -2.183 5.056) 5.507 20.786 ( -0.000 -4.971 3.636) 6.159 20.867 ( 0.000 2.249 -1.372) 2.634 21.452 ( 0.000 0.236 -4.133) 4.140 24.388 ( 0.000 0.599 0.253) 0.650 24.417 ( -0.000 -0.561 -0.229) 0.606 25.218 ( -0.000 -10.596 1.510) 10.703 25.339 ( 0.000 0.152 9.783) 9.784 25.362 ( -0.000 -0.740 -0.525) 0.907 26.325 ( 0.000 2.725 -5.436) 6.081 26.862 ( -0.000 -3.368 4.774) 5.843 27.190 ( 0.000 2.835 -0.336) 2.854 27.255 ( 0.000 0.697 -1.124) 1.323 28.218 ( 0.000 5.513 -21.191) 21.897 29.284 ( -0.000 -3.668 2.757) 4.588 29.625 ( 0.000 0.786 3.237) 3.331 29.739 ( -0.000 -4.313 -7.693) 8.819 30.086 ( 0.000 3.854 6.487) 7.546 30.355 ( 0.000 1.547 -18.169) 18.234 30.536 ( 0.000 0.005 -8.125) 8.125 31.144 ( 0.000 3.074 9.805) 10.276 31.318 ( -0.000 -2.224 5.005) 5.477 31.455 ( 0.000 2.915 36.829) 36.944 31.679 ( -0.000 -8.013 4.929) 9.408 32.363 ( 0.000 0.245 -3.565) 3.573 33.508 ( 0.000 7.266 -10.121) 12.459 ======================= Grid point 178 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 0.000 42.953) 42.953 1.854 ( 0.000 0.000 44.337) 44.337 3.064 ( 0.000 0.000 -21.797) 21.797 3.158 ( 0.000 0.000 -21.989) 21.989 3.283 ( 0.000 0.000 82.244) 82.244 4.486 ( 0.000 0.000 17.574) 17.574 4.529 ( 0.000 0.000 20.734) 20.734 5.080 ( 0.000 0.000 -10.190) 10.190 5.090 ( 0.000 0.000 1.124) 1.124 5.104 ( 0.000 0.000 -8.062) 8.062 5.232 ( 0.000 0.000 -6.123) 6.123 5.405 ( 0.000 0.000 -1.248) 1.248 5.446 ( 0.000 0.000 -5.199) 5.199 5.752 ( 0.000 0.000 0.710) 0.710 5.867 ( 0.000 0.000 -3.681) 3.681 5.972 ( 0.000 0.000 -13.723) 13.723 5.987 ( 0.000 0.000 0.282) 0.282 6.153 ( 0.000 0.000 -5.671) 5.671 6.192 ( 0.000 0.000 -51.795) 51.795 6.263 ( 0.000 0.000 -9.165) 9.165 6.810 ( 0.000 0.000 16.811) 16.811 7.064 ( 0.000 0.000 -3.406) 3.406 7.121 ( 0.000 0.000 -2.128) 2.128 7.183 ( 0.000 0.000 -0.340) 0.340 7.258 ( 0.000 0.000 -4.506) 4.506 7.648 ( 0.000 0.000 -15.279) 15.279 7.788 ( 0.000 0.000 15.154) 15.154 8.251 ( 0.000 0.000 15.441) 15.441 8.267 ( 0.000 0.000 2.071) 2.071 8.521 ( 0.000 0.000 -3.462) 3.462 8.560 ( 0.000 0.000 1.783) 1.783 8.617 ( 0.000 0.000 4.003) 4.003 8.684 ( 0.000 0.000 -10.925) 10.925 8.949 ( 0.000 0.000 -16.144) 16.144 11.130 ( 0.000 0.000 21.174) 21.174 11.233 ( 0.000 0.000 33.432) 33.432 11.511 ( 0.000 0.000 7.872) 7.872 11.512 ( 0.000 0.000 -5.495) 5.495 11.685 ( 0.000 0.000 7.453) 7.453 11.721 ( 0.000 0.000 2.617) 2.617 11.728 ( 0.000 0.000 20.930) 20.930 11.811 ( 0.000 0.000 -8.257) 8.257 11.920 ( 0.000 0.000 -2.465) 2.465 12.311 ( 0.000 0.000 -10.199) 10.199 12.444 ( 0.000 0.000 -25.150) 25.150 12.527 ( 0.000 0.000 12.933) 12.933 12.594 ( 0.000 0.000 -26.283) 26.283 13.137 ( 0.000 0.000 -16.399) 16.399 14.217 ( 0.000 0.000 18.026) 18.026 14.448 ( 0.000 0.000 4.776) 4.776 14.557 ( 0.000 0.000 0.406) 0.406 14.873 ( 0.000 0.000 -14.179) 14.179 16.287 ( 0.000 0.000 -0.517) 0.517 16.295 ( 0.000 0.000 -1.067) 1.067 16.589 ( 0.000 0.000 -0.154) 0.154 16.592 ( 0.000 0.000 -0.341) 0.341 18.157 ( 0.000 0.000 2.677) 2.677 18.263 ( 0.000 0.000 -2.398) 2.398 19.010 ( 0.000 0.000 22.445) 22.445 19.282 ( 0.000 0.000 14.818) 14.818 19.846 ( 0.000 0.000 -17.650) 17.650 19.877 ( 0.000 0.000 -13.730) 13.730 20.045 ( 0.000 0.000 -0.362) 0.362 20.047 ( 0.000 0.000 -0.378) 0.378 20.668 ( 0.000 0.000 2.010) 2.010 20.781 ( 0.000 0.000 -4.140) 4.140 21.068 ( 0.000 0.000 1.921) 1.921 21.116 ( 0.000 0.000 -0.575) 0.575 24.399 ( 0.000 0.000 0.040) 0.040 24.400 ( 0.000 0.000 -0.019) 0.019 24.936 ( 0.000 0.000 3.033) 3.033 25.039 ( 0.000 0.000 -1.958) 1.958 25.367 ( 0.000 0.000 0.121) 0.121 25.378 ( 0.000 0.000 -0.412) 0.412 27.069 ( 0.000 0.000 1.383) 1.383 27.110 ( 0.000 0.000 -0.629) 0.629 27.261 ( 0.000 0.000 0.806) 0.806 27.290 ( 0.000 0.000 -0.605) 0.605 29.307 ( 0.000 0.000 7.839) 7.839 29.531 ( 0.000 0.000 7.664) 7.664 29.590 ( 0.000 0.000 -5.523) 5.523 29.855 ( 0.000 0.000 -7.874) 7.874 30.139 ( 0.000 0.000 -3.810) 3.810 30.200 ( 0.000 0.000 -7.159) 7.159 30.836 ( 0.000 0.000 4.256) 4.256 30.846 ( 0.000 0.000 3.503) 3.503 31.480 ( 0.000 0.000 1.728) 1.728 31.531 ( 0.000 0.000 -0.752) 0.752 35.584 ( 0.000 0.000 2.446) 2.446 35.687 ( 0.000 0.000 -2.515) 2.515 ======================= Grid point 179 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 5.304 -12.721 38.540) 40.930 1.995 ( 7.446 -12.728 39.748) 42.395 3.112 ( 3.821 -2.864 -20.206) 20.762 3.242 ( 2.447 -8.219 -21.826) 23.450 3.564 ( 12.836 -22.651 69.791) 74.489 4.480 ( -0.185 0.910 15.943) 15.970 4.535 ( -0.389 -0.645 18.567) 18.582 4.958 ( -0.075 15.405 -2.845) 15.665 4.991 ( -3.418 12.947 -3.014) 13.725 5.097 ( -2.342 1.231 -8.581) 8.980 5.112 ( -1.526 1.326 -8.029) 8.280 5.418 ( -3.184 -2.119 -1.890) 4.266 5.520 ( -4.712 -4.953 -6.016) 9.106 5.687 ( -4.131 10.492 -0.702) 11.297 5.728 ( -1.284 9.441 -7.617) 12.198 5.898 ( -0.075 4.855 -17.626) 18.282 6.022 ( 0.777 -7.325 -0.720) 7.401 6.174 ( 1.453 1.532 -6.253) 6.600 6.220 ( -2.744 -0.208 -7.544) 8.030 6.351 ( 3.998 -11.663 -32.277) 34.552 6.847 ( -0.215 -4.157 19.845) 20.277 7.137 ( -3.621 -7.964 -4.994) 10.074 7.229 ( -0.080 -12.372 -8.042) 14.756 7.279 ( 7.663 -1.455 -1.445) 7.933 7.444 ( 16.873 -10.810 -8.211) 21.656 7.668 ( 0.072 -2.702 -14.688) 14.935 7.767 ( 0.344 2.203 15.779) 15.936 8.269 ( 0.136 -0.777 11.049) 11.077 8.274 ( 0.454 -1.438 7.422) 7.574 8.460 ( -1.827 5.518 1.349) 5.967 8.525 ( 1.380 -0.796 -8.768) 8.912 8.672 ( 4.910 -1.760 -1.020) 5.315 8.731 ( 1.081 -1.357 -6.296) 6.530 9.015 ( 2.099 -6.518 -16.112) 17.506 11.113 ( -5.578 7.332 22.751) 24.545 11.137 ( -1.148 7.338 18.527) 19.960 11.317 ( -6.967 25.730 10.559) 28.671 11.400 ( -2.234 7.519 12.020) 14.353 11.456 ( -3.385 4.751 -4.105) 7.133 11.627 ( -2.402 3.119 6.024) 7.196 11.725 ( -6.993 -3.413 6.922) 10.415 11.886 ( -2.964 -1.599 -4.613) 5.711 11.995 ( 1.774 -0.024 7.061) 7.280 12.203 ( -2.916 13.869 -2.430) 14.379 12.354 ( -9.226 -2.243 -8.975) 13.066 12.525 ( -2.913 17.410 -9.515) 20.053 12.638 ( -0.026 1.238 -17.009) 17.054 12.736 ( -6.534 4.215 -19.511) 21.003 14.368 ( -1.401 -13.284 16.192) 20.990 14.531 ( 11.387 -3.567 7.978) 14.354 14.641 ( 6.409 -4.736 -0.288) 7.974 15.028 ( 1.885 -11.895 -11.740) 16.819 16.323 ( 0.218 -3.280 -0.335) 3.304 16.342 ( -0.042 -4.524 -1.372) 4.727 16.593 ( 3.821 0.575 0.802) 3.946 16.640 ( 3.235 -2.036 -1.512) 4.111 18.183 ( 1.155 -2.224 2.588) 3.602 18.287 ( 1.432 -1.805 -2.388) 3.319 19.017 ( -0.363 -0.769 20.540) 20.557 19.272 ( -1.293 0.487 13.521) 13.591 19.728 ( -4.972 8.707 -12.956) 16.382 19.837 ( -2.649 3.903 -13.840) 14.622 20.008 ( -1.378 3.094 -0.159) 3.391 20.018 ( -1.603 2.603 -0.581) 3.112 20.722 ( 2.368 -3.716 2.323) 4.982 20.836 ( 1.388 -2.645 -3.630) 4.701 21.006 ( -2.757 5.258 -0.680) 5.976 21.022 ( -2.020 3.576 -0.409) 4.127 24.392 ( 0.078 0.393 0.328) 0.518 24.406 ( 0.035 -0.286 -0.308) 0.422 25.080 ( -1.415 -7.411 0.632) 7.571 25.171 ( -5.479 -16.380 -4.032) 17.736 25.422 ( 4.953 -4.884 -0.189) 6.958 25.505 ( 18.131 -4.754 -7.132) 20.055 27.093 ( 0.254 -0.395 0.621) 0.779 27.137 ( -2.581 -4.848 -1.126) 5.607 27.260 ( 1.502 0.001 0.830) 1.716 27.356 ( 7.216 -3.053 -4.248) 8.912 29.335 ( 0.773 -2.900 6.118) 6.815 29.527 ( -0.480 0.507 5.921) 5.962 29.553 ( 1.564 3.844 -2.891) 5.057 29.841 ( -2.095 -0.083 -7.887) 8.161 30.144 ( 1.795 0.367 -3.212) 3.697 30.252 ( 0.830 -4.390 -8.128) 9.275 30.882 ( 3.156 -3.386 5.211) 6.970 30.926 ( 3.048 -6.974 3.041) 8.196 31.459 ( 1.150 0.905 4.731) 4.952 31.622 ( 1.457 -7.646 -3.195) 8.414 34.905 ( -28.479 50.143 29.187) 64.632 35.429 ( -12.356 21.766 -6.278) 25.804 ======================= Grid point 180 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 8.954 -19.705 27.829) 35.255 2.428 ( 12.369 -24.980 26.991) 38.801 3.225 ( 5.030 -5.030 -15.987) 17.498 3.464 ( 4.202 -13.030 -19.830) 24.097 4.168 ( 15.200 -26.326 44.091) 53.555 4.438 ( -0.770 3.983 9.737) 10.549 4.521 ( -2.155 3.263 11.790) 12.421 4.611 ( -3.708 18.507 0.892) 18.896 4.691 ( -5.790 13.248 1.494) 14.535 5.011 ( -5.829 4.585 -11.794) 13.932 5.107 ( -1.195 -0.204 -7.496) 7.594 5.329 ( -8.874 6.666 -1.910) 11.262 5.373 ( -7.812 10.364 -2.266) 13.175 5.534 ( 3.268 1.034 1.352) 3.684 5.679 ( 1.184 -1.582 -6.678) 6.965 5.862 ( 3.283 1.110 -15.175) 15.566 6.115 ( -2.789 1.361 -0.650) 3.171 6.151 ( 1.763 -3.475 2.604) 4.687 6.227 ( 0.781 0.843 -6.233) 6.339 6.602 ( 4.431 -11.135 -21.290) 24.432 6.938 ( 0.403 -5.802 20.926) 21.720 7.243 ( -1.683 -7.127 -2.487) 7.734 7.338 ( 2.213 -2.891 -6.353) 7.322 7.498 ( 3.125 -10.978 -4.528) 12.279 7.670 ( 3.117 -2.018 -7.369) 8.251 7.742 ( 2.304 -0.132 18.966) 19.106 7.776 ( 1.738 -6.278 -15.072) 16.420 8.270 ( 0.795 0.594 11.115) 11.159 8.339 ( 5.753 -1.544 6.326) 8.689 8.383 ( -0.649 1.562 -0.365) 1.730 8.619 ( 7.147 -5.621 -17.283) 19.529 8.730 ( 1.450 1.785 -3.661) 4.324 8.771 ( 3.708 -4.420 -6.385) 8.605 9.179 ( 3.016 -8.133 -15.855) 18.073 10.653 ( -13.306 24.902 9.017) 29.639 10.752 ( -7.761 26.741 5.267) 28.339 11.112 ( 0.341 3.622 10.264) 10.890 11.269 ( -6.953 7.080 14.723) 17.754 11.314 ( -4.391 6.111 1.488) 7.671 11.546 ( -2.925 4.709 11.137) 12.441 11.645 ( -9.182 4.771 7.512) 12.787 11.704 ( -8.125 21.026 2.769) 22.710 11.891 ( -1.594 0.696 2.321) 2.900 11.984 ( -5.648 8.312 2.416) 10.336 12.112 ( -1.576 2.123 -3.248) 4.188 12.361 ( -2.956 -0.979 -11.107) 11.535 12.702 ( -0.197 -4.439 -19.084) 19.595 12.854 ( 2.778 -6.412 -23.294) 24.319 14.542 ( 3.041 -6.691 11.026) 13.252 14.727 ( 2.821 -9.538 7.802) 12.641 14.851 ( 10.727 -7.661 5.452) 14.264 15.238 ( 3.405 -9.912 -5.357) 11.770 16.383 ( -0.614 -3.595 0.164) 3.651 16.416 ( -0.497 -4.041 -1.649) 4.393 16.638 ( 5.208 -0.481 1.340) 5.399 16.712 ( 3.640 -2.109 -2.286) 4.788 18.249 ( 1.793 -3.529 2.297) 4.577 18.344 ( 2.156 -2.491 -2.255) 3.992 19.017 ( -0.777 0.366 14.943) 14.967 19.238 ( -2.933 1.317 9.944) 10.451 19.499 ( -4.341 11.130 -6.943) 13.818 19.710 ( -5.890 5.350 -10.900) 13.495 19.923 ( -2.042 4.482 0.019) 4.925 19.937 ( -2.367 4.137 -0.635) 4.808 20.765 ( -1.166 3.174 0.749) 3.463 20.814 ( 2.052 3.152 -1.707) 4.130 20.918 ( -0.730 -1.582 1.679) 2.419 21.094 ( 2.404 -7.258 -4.883) 9.072 24.388 ( 0.099 0.170 0.521) 0.557 24.409 ( 0.058 -0.072 -0.493) 0.502 25.185 ( -1.243 -6.465 4.308) 7.868 25.316 ( -3.531 -8.341 -0.379) 9.065 25.589 ( 6.237 -6.874 -0.457) 9.293 25.787 ( 11.358 -6.637 -14.874) 19.856 27.068 ( -0.446 3.143 2.585) 4.094 27.189 ( -2.792 -3.999 0.726) 4.931 27.279 ( -1.022 -1.591 -2.831) 3.404 27.505 ( 8.695 -2.858 -13.377) 16.209 29.417 ( 1.482 -4.502 1.827) 5.079 29.499 ( 2.957 2.909 -1.670) 4.472 29.532 ( 0.411 0.229 5.398) 5.418 29.833 ( -1.113 -1.124 -8.456) 8.603 30.157 ( 1.356 -0.095 -1.496) 2.021 30.341 ( 0.042 -5.130 -8.844) 10.224 31.000 ( 5.031 -5.136 7.918) 10.695 31.108 ( 4.390 -8.927 1.764) 10.103 31.487 ( 2.669 -2.000 9.296) 9.876 31.809 ( 3.270 -11.685 -6.402) 13.719 33.733 ( -27.132 48.064 49.603) 74.208 34.776 ( -19.120 33.863 -13.319) 41.105 ======================= Grid point 181 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 9.962 -21.407 17.014) 29.103 3.010 ( 12.905 -25.953 14.759) 32.525 3.369 ( 4.857 -5.674 -9.215) 11.862 3.730 ( 2.375 -12.095 -15.225) 19.589 4.134 ( -6.650 17.964 1.771) 19.237 4.321 ( -3.466 10.494 -6.697) 12.922 4.399 ( -4.649 5.439 14.814) 16.452 4.541 ( -0.103 3.097 8.119) 8.691 4.599 ( -1.419 -0.746 11.765) 11.873 4.865 ( -4.625 3.802 -10.782) 12.333 5.065 ( -0.311 1.629 -9.586) 9.728 5.156 ( -0.184 9.051 -10.751) 14.055 5.332 ( 2.296 -15.326 17.590) 23.443 5.590 ( 1.826 -2.740 4.249) 5.375 5.738 ( 1.083 -3.813 -3.415) 5.232 5.898 ( 3.956 -0.394 -8.389) 9.283 6.066 ( -1.799 1.656 0.141) 2.449 6.190 ( -0.716 3.328 -6.174) 7.051 6.206 ( 4.225 -0.508 7.986) 9.049 6.746 ( -0.546 -1.517 -9.416) 9.553 7.023 ( -0.329 -3.232 18.229) 18.517 7.343 ( 0.233 -5.230 3.038) 6.053 7.396 ( -0.118 -3.418 -6.851) 7.657 7.650 ( -3.098 -2.396 -9.664) 10.427 7.678 ( 2.469 -5.021 3.959) 6.854 7.791 ( 1.264 0.212 7.152) 7.266 7.885 ( 1.283 -5.540 -0.414) 5.701 8.259 ( 1.566 1.871 8.530) 8.872 8.374 ( -1.155 -0.958 2.028) 2.523 8.422 ( 6.099 0.362 5.711) 8.364 8.700 ( 2.735 -0.111 2.583) 3.764 8.838 ( 8.572 -6.612 -22.201) 24.700 8.894 ( 3.131 -5.675 -12.817) 14.362 9.288 ( 0.028 -0.558 -12.664) 12.676 10.141 ( -10.528 18.678 4.539) 21.916 10.316 ( -4.453 14.968 -3.531) 16.010 10.989 ( -6.852 9.732 7.944) 14.310 11.037 ( -4.065 9.406 1.219) 10.319 11.153 ( -5.915 8.830 0.891) 10.666 11.218 ( -2.912 15.147 3.544) 15.827 11.461 ( -4.612 0.125 13.006) 13.800 11.612 ( 0.449 0.882 11.144) 11.188 11.835 ( -6.590 0.232 14.045) 15.516 11.938 ( 0.541 -0.525 -3.858) 3.931 12.072 ( -1.829 1.345 -3.483) 4.157 12.343 ( -1.623 0.379 -9.850) 9.990 12.756 ( 0.388 -1.817 -18.563) 18.656 12.955 ( -0.065 -3.857 -25.584) 25.873 14.665 ( 4.073 -3.505 11.907) 13.064 14.912 ( 0.589 -9.661 4.258) 10.575 15.029 ( 6.817 -2.626 10.561) 12.841 15.437 ( 4.100 -8.396 -3.312) 9.913 16.429 ( -0.960 -2.750 0.417) 2.943 16.462 ( -0.230 -1.688 -1.403) 2.207 16.706 ( 4.059 -1.807 0.446) 4.465 16.775 ( 2.358 -1.570 -2.911) 4.061 18.327 ( 1.552 -3.294 1.777) 4.052 18.402 ( 1.804 -1.771 -1.855) 3.136 18.988 ( -0.531 2.087 7.857) 8.147 19.136 ( -5.089 6.071 1.807) 8.125 19.342 ( -0.384 2.997 1.851) 3.543 19.558 ( -5.967 5.111 -6.802) 10.392 19.828 ( -1.795 4.004 0.285) 4.397 19.848 ( -1.854 3.360 -0.689) 3.899 20.689 ( -1.202 3.015 -0.810) 3.345 20.762 ( 0.943 3.253 -3.620) 4.957 21.015 ( 2.149 -5.587 5.469) 8.108 21.229 ( 1.692 -5.423 -3.828) 6.850 24.389 ( 0.107 -0.170 0.485) 0.525 24.409 ( 0.047 0.190 -0.461) 0.501 25.275 ( -0.341 -4.855 7.275) 8.753 25.421 ( -0.559 -6.181 1.394) 6.361 25.747 ( 5.791 -4.086 -0.988) 7.156 25.933 ( 3.249 -2.955 -11.653) 12.453 26.987 ( -0.869 4.925 4.961) 7.044 27.214 ( -1.053 -1.122 5.131) 5.356 27.304 ( -2.700 -3.774 -10.288) 11.286 27.578 ( 3.989 1.527 -15.676) 16.248 29.448 ( 0.480 1.189 -0.114) 1.287 29.527 ( 2.557 -0.370 -4.697) 5.360 29.550 ( 1.525 -1.907 5.099) 5.654 29.857 ( 0.552 -1.803 -9.751) 9.932 30.176 ( 0.284 -1.154 1.437) 1.865 30.420 ( -0.347 -4.140 -8.606) 9.556 31.140 ( 4.919 -4.976 10.033) 12.232 31.283 ( 3.289 -6.505 1.494) 7.441 31.582 ( 4.458 -5.208 14.987) 16.480 32.088 ( 5.529 -15.390 -8.662) 18.506 32.822 ( -17.680 31.766 44.942) 57.805 33.978 ( -19.642 35.179 -17.549) 43.947 ======================= Grid point 182 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 7.526 -15.828 7.681) 19.135 3.412 ( 2.774 -5.271 -1.618) 6.172 3.568 ( 6.766 -13.019 3.245) 15.027 3.737 ( -0.747 9.481 3.391) 10.097 3.917 ( -6.636 2.755 -3.212) 7.870 4.120 ( -2.459 6.022 -5.508) 8.524 4.313 ( -2.269 0.761 10.240) 10.516 4.397 ( -2.675 5.502 8.855) 10.763 4.603 ( 1.168 -0.397 5.943) 6.070 4.773 ( -1.217 -0.067 -15.295) 15.344 4.983 ( -2.572 7.971 -12.663) 15.183 5.070 ( 0.256 0.088 -11.006) 11.009 5.638 ( 0.201 -1.525 7.459) 7.616 5.723 ( 5.450 -15.847 6.875) 18.114 5.806 ( 0.782 -2.042 -2.792) 3.546 5.944 ( 3.114 -0.347 -2.330) 3.905 6.020 ( -1.055 1.697 -0.391) 2.036 6.107 ( -1.876 4.193 -7.187) 8.530 6.296 ( 7.886 -3.110 12.667) 15.241 6.635 ( -7.847 6.476 3.164) 10.655 7.046 ( -0.130 -0.456 15.333) 15.340 7.401 ( 0.307 -1.300 3.954) 4.173 7.475 ( 1.481 -3.491 -0.831) 3.882 7.636 ( -2.690 -0.270 -12.363) 12.656 7.784 ( -1.169 -3.585 3.165) 4.923 7.797 ( 2.797 0.068 5.996) 6.616 7.955 ( 0.711 -1.466 4.028) 4.345 8.256 ( 0.777 -0.176 2.899) 3.006 8.345 ( -3.330 0.396 11.787) 12.255 8.420 ( 3.111 3.978 6.971) 8.608 8.840 ( 6.788 -8.846 -3.035) 11.556 8.972 ( 2.112 -2.433 -15.123) 15.462 9.010 ( 2.750 -3.091 -19.699) 20.129 9.164 ( -5.407 9.654 -6.207) 12.687 9.872 ( -3.031 5.106 1.862) 6.223 10.157 ( -0.752 2.510 -10.736) 11.051 10.786 ( -5.675 3.434 4.907) 8.251 10.826 ( -0.430 8.926 1.044) 8.997 10.989 ( -2.243 3.092 1.966) 4.296 11.097 ( -0.106 2.762 -1.479) 3.135 11.461 ( -0.765 -2.017 12.253) 12.441 11.595 ( 0.568 1.785 10.204) 10.375 11.779 ( -3.433 -0.046 17.101) 17.442 11.954 ( 0.450 -0.489 -2.432) 2.521 12.035 ( -1.098 0.857 -2.451) 2.819 12.323 ( -0.501 0.429 -9.596) 9.618 12.777 ( 0.146 -0.426 -18.559) 18.564 12.993 ( -0.428 -1.189 -27.553) 27.582 14.735 ( 1.617 -1.230 13.349) 13.503 15.045 ( -0.932 -5.505 1.598) 5.807 15.088 ( 3.544 1.222 14.389) 14.869 15.572 ( 1.727 -3.255 -3.953) 5.404 16.458 ( -0.606 -1.546 0.369) 1.701 16.473 ( 0.149 0.176 -0.481) 0.534 16.764 ( 1.649 -1.126 -1.011) 2.239 16.807 ( 0.590 -0.527 -3.275) 3.370 18.381 ( 0.594 -1.449 1.270) 2.017 18.435 ( 0.702 -0.537 -1.351) 1.615 18.942 ( -0.307 2.279 3.383) 4.091 19.014 ( -2.077 2.271 -0.183) 3.083 19.348 ( 1.821 -1.720 1.944) 3.170 19.430 ( -4.101 3.748 -2.233) 5.987 19.766 ( -0.692 1.573 0.580) 1.814 19.795 ( -0.671 1.248 -0.772) 1.614 20.646 ( -0.367 1.102 -0.430) 1.239 20.733 ( 0.419 1.029 -4.155) 4.301 21.104 ( 0.898 -2.448 6.229) 6.752 21.303 ( 0.577 -1.836 -2.895) 3.477 24.395 ( 0.078 -0.367 0.219) 0.434 24.404 ( -0.011 0.358 -0.207) 0.413 25.335 ( 0.081 -2.018 9.381) 9.596 25.499 ( 0.168 -2.565 2.485) 3.575 25.830 ( 2.462 -0.870 -1.743) 3.140 25.981 ( 0.282 -1.083 -9.594) 9.659 26.912 ( -0.415 2.387 6.560) 6.993 27.214 ( -0.409 -0.062 5.940) 5.954 27.344 ( -1.351 -2.559 -15.948) 16.209 27.562 ( 1.073 2.032 -11.690) 11.914 29.435 ( 0.293 0.505 -0.819) 1.005 29.531 ( 0.249 0.481 -4.493) 4.526 29.595 ( 1.058 -0.875 1.650) 2.146 29.891 ( 0.596 -1.001 -10.424) 10.489 30.196 ( -0.048 -0.776 3.446) 3.533 30.468 ( -0.186 -1.580 -8.075) 8.230 31.242 ( 2.179 -2.144 10.026) 10.482 31.384 ( 1.118 -2.501 1.712) 3.231 31.760 ( 6.301 -9.129 23.766) 26.227 32.142 ( -9.342 14.345 29.451) 34.065 32.590 ( 8.403 -16.234 -7.554) 19.779 33.250 ( -14.985 27.523 -17.495) 35.891 ======================= Grid point 188 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 13.893 0.000 38.404) 40.840 2.006 ( 14.757 0.000 39.763) 42.413 3.155 ( 8.398 0.000 -22.466) 23.985 3.198 ( 4.035 0.000 -20.331) 20.728 3.546 ( 23.863 0.000 70.764) 74.680 4.488 ( -0.046 -0.000 18.148) 18.148 4.524 ( -0.491 -0.000 17.160) 17.167 5.037 ( -8.577 -0.000 -9.006) 12.437 5.078 ( -0.985 -0.000 -10.694) 10.739 5.118 ( -7.385 -0.000 -5.436) 9.170 5.141 ( 0.159 0.000 -1.822) 1.829 5.322 ( -8.967 -0.000 1.178) 9.044 5.403 ( -5.508 -0.000 -4.233) 6.947 5.702 ( -3.390 -0.000 -0.831) 3.490 5.783 ( -5.847 -0.000 -4.803) 7.567 5.941 ( -2.274 -0.000 -17.126) 17.277 5.982 ( 3.700 0.000 2.364) 4.391 6.149 ( -8.534 -0.000 -3.377) 9.178 6.249 ( 6.745 0.000 -9.463) 11.620 6.277 ( 6.804 0.000 -40.344) 40.914 6.799 ( -0.641 -0.000 18.109) 18.120 7.046 ( 0.802 0.000 -2.095) 2.243 7.191 ( 11.239 0.000 -9.220) 14.537 7.366 ( 8.064 0.000 -1.655) 8.232 7.535 ( 21.170 0.000 -8.613) 22.855 7.648 ( 0.188 0.000 -14.884) 14.885 7.784 ( -0.588 -0.000 12.649) 12.662 8.244 ( -1.540 -0.000 4.137) 4.415 8.276 ( 1.690 0.000 14.916) 15.011 8.509 ( -1.080 -0.000 -5.314) 5.423 8.511 ( 2.260 0.000 4.599) 5.125 8.704 ( 1.413 0.000 -7.628) 7.757 8.766 ( 9.139 0.000 -1.351) 9.238 8.984 ( 3.361 0.000 -17.539) 17.858 11.078 ( -10.085 -0.000 23.250) 25.343 11.188 ( -3.383 -0.000 23.051) 23.298 11.426 ( -9.530 -0.000 -3.361) 10.105 11.457 ( -11.392 -0.000 16.259) 19.853 11.479 ( -21.316 -0.000 0.794) 21.331 11.549 ( 0.743 0.000 8.253) 8.287 11.650 ( -4.053 -0.000 5.425) 6.772 11.822 ( 0.322 0.000 -7.525) 7.532 12.034 ( 0.775 0.000 10.866) 10.893 12.225 ( -7.115 -0.000 -10.683) 12.836 12.321 ( -17.810 -0.000 -20.762) 27.354 12.359 ( -10.204 -0.000 7.074) 12.416 12.656 ( -13.595 -0.000 -8.276) 15.916 12.870 ( 8.811 0.000 -27.411) 28.792 14.249 ( 3.133 0.000 18.292) 18.558 14.663 ( 18.342 0.000 4.224) 18.822 14.700 ( 8.127 0.000 4.181) 9.140 14.912 ( 3.806 0.000 -14.294) 14.792 16.301 ( 0.463 0.000 -0.557) 0.724 16.307 ( 1.938 0.000 -0.735) 2.073 16.650 ( 5.426 0.000 0.085) 5.426 16.666 ( 5.856 0.000 -0.866) 5.919 18.181 ( 2.269 0.000 2.792) 3.598 18.292 ( 2.833 0.000 -2.566) 3.822 19.006 ( -0.345 -0.000 21.841) 21.844 19.257 ( -2.537 -0.000 12.198) 12.459 19.709 ( -10.408 -0.000 -10.921) 15.086 19.861 ( -3.317 -0.000 -17.899) 18.203 20.013 ( -3.296 -0.000 -0.315) 3.311 20.016 ( -2.937 -0.000 -0.692) 3.017 20.700 ( 2.974 0.000 3.941) 4.937 20.842 ( 3.152 0.000 -3.766) 4.911 21.015 ( -7.585 -0.000 -0.319) 7.592 21.025 ( -1.596 -0.000 -0.215) 1.610 24.399 ( 0.014 0.000 0.073) 0.074 24.402 ( 0.133 0.000 -0.090) 0.160 24.954 ( 1.992 0.000 3.385) 3.927 25.068 ( 2.940 0.000 -2.115) 3.622 25.431 ( 5.458 0.000 2.921) 6.191 25.672 ( 21.827 0.000 -12.811) 25.309 27.073 ( 0.293 0.000 2.169) 2.189 27.109 ( 0.448 0.000 -0.021) 0.449 27.268 ( 0.375 0.000 1.436) 1.485 27.425 ( 12.068 0.000 -8.508) 14.766 29.315 ( 0.652 0.000 7.966) 7.993 29.530 ( 0.369 0.000 6.642) 6.652 29.612 ( 2.564 0.000 -5.628) 6.185 29.805 ( -4.065 -0.000 -7.107) 8.187 30.177 ( 3.521 0.000 -4.014) 5.339 30.230 ( 2.184 0.000 -6.876) 7.214 30.901 ( 6.352 0.000 4.132) 7.578 30.906 ( 5.776 0.000 3.715) 6.868 31.494 ( 1.451 0.000 2.315) 2.732 31.566 ( 3.652 0.000 -1.164) 3.833 34.913 ( -57.082 -0.000 28.741) 63.909 35.432 ( -24.704 -0.000 -6.306) 25.496 ======================= Grid point 189 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 19.756 -9.116 28.966) 36.228 2.273 ( 20.269 -11.834 32.165) 39.818 3.228 ( 7.173 -1.224 -20.355) 21.617 3.346 ( 7.996 -7.847 -18.563) 21.682 3.970 ( 24.124 -17.851 53.128) 61.018 4.471 ( -0.941 1.568 15.875) 15.980 4.522 ( -0.461 -0.200 13.359) 13.369 4.818 ( -12.268 11.295 -3.426) 17.024 4.881 ( -8.998 16.445 -2.208) 18.876 5.019 ( -5.585 3.391 -9.780) 11.762 5.085 ( -2.641 0.402 -6.128) 6.685 5.257 ( -10.431 -1.759 0.396) 10.585 5.372 ( -10.739 -0.313 -4.677) 11.718 5.629 ( 1.788 4.728 -0.607) 5.091 5.702 ( -1.827 3.096 -5.636) 6.685 5.910 ( 0.549 1.089 -18.766) 18.806 6.077 ( 2.087 -2.332 3.926) 5.021 6.100 ( -1.264 -3.799 0.592) 4.047 6.277 ( 4.763 1.986 -12.034) 13.094 6.453 ( 5.681 -9.877 -24.068) 26.628 6.846 ( -0.081 -5.377 18.264) 19.039 7.128 ( 2.655 -5.762 -1.455) 6.508 7.338 ( 7.544 -3.059 -8.714) 11.925 7.436 ( 6.427 -1.193 -0.615) 6.566 7.670 ( 1.380 -1.719 -12.805) 12.994 7.713 ( 0.327 -2.408 -7.213) 7.612 7.799 ( 8.649 0.760 10.013) 13.253 8.251 ( -0.589 -1.704 9.343) 9.515 8.329 ( 4.775 -3.250 5.316) 7.850 8.451 ( 0.740 3.735 0.726) 3.877 8.611 ( 7.786 -4.355 -7.433) 11.612 8.737 ( 0.529 -1.990 -3.393) 3.969 8.815 ( 6.930 3.148 -7.490) 10.679 9.087 ( 4.652 -6.349 -16.344) 18.141 10.798 ( -24.017 13.027 15.302) 31.315 11.010 ( -21.776 17.690 3.321) 28.252 11.160 ( -1.994 2.350 11.978) 12.368 11.305 ( -7.224 4.815 7.042) 11.179 11.340 ( -5.147 3.062 11.974) 13.389 11.563 ( -6.775 3.175 8.398) 11.248 11.605 ( -0.139 -1.520 6.876) 7.043 11.835 ( -3.383 1.539 -4.818) 6.085 11.910 ( -9.367 6.387 8.780) 14.340 11.972 ( -26.900 4.179 -1.267) 27.252 12.191 ( 0.982 6.802 -1.899) 7.130 12.321 ( -6.266 -1.879 -10.115) 12.046 12.540 ( 0.424 -1.120 -15.638) 15.684 12.971 ( 14.689 2.427 -26.815) 30.671 14.392 ( 3.237 -10.818 16.865) 20.296 14.715 ( 5.338 1.617 6.941) 8.905 14.895 ( 17.409 -3.580 1.901) 17.875 15.087 ( 3.849 -11.233 -8.833) 14.799 16.330 ( 0.288 -2.537 0.143) 2.557 16.358 ( 1.921 -3.094 -1.216) 3.840 16.698 ( 5.756 0.835 0.468) 5.835 16.731 ( 5.093 -0.733 -1.091) 5.260 18.224 ( 2.807 -1.935 2.784) 4.402 18.337 ( 3.440 -1.394 -2.659) 4.566 19.007 ( -0.593 -0.515 19.289) 19.305 19.221 ( -3.664 0.657 9.725) 10.413 19.567 ( -9.957 4.347 -7.749) 13.344 19.753 ( -5.450 6.485 -15.025) 17.248 19.955 ( -3.962 2.390 -0.390) 4.643 19.959 ( -4.145 2.279 -0.480) 4.754 20.771 ( 1.233 -2.182 4.173) 4.868 20.840 ( -1.018 -0.340 -0.834) 1.359 20.916 ( -4.644 2.858 -1.172) 5.578 21.054 ( 5.908 -2.058 -4.803) 7.887 24.394 ( 0.058 0.364 0.311) 0.483 24.407 ( 0.092 -0.267 -0.307) 0.417 25.073 ( 1.568 -8.153 2.004) 8.541 25.147 ( 1.831 -5.758 -1.178) 6.156 25.530 ( 5.189 -4.993 4.234) 8.353 25.875 ( 15.379 -0.738 -15.864) 22.107 27.100 ( -0.296 -2.365 2.199) 3.243 27.109 ( 0.428 0.774 0.884) 1.250 27.267 ( -0.582 0.200 1.473) 1.597 27.566 ( 11.227 -1.390 -16.329) 19.865 29.356 ( 0.993 -3.794 6.592) 7.670 29.535 ( 1.773 0.414 5.123) 5.437 29.614 ( 4.857 3.502 -4.187) 7.306 29.783 ( -3.057 -1.953 -6.559) 7.496 30.200 ( 3.510 1.821 -4.404) 5.918 30.270 ( 0.749 -2.688 -7.159) 7.684 30.996 ( 7.749 -2.917 5.470) 9.924 31.034 ( 7.508 -6.075 3.393) 10.237 31.503 ( 3.349 0.188 5.068) 6.077 31.681 ( 4.702 -7.282 -3.511) 9.352 34.047 ( -50.421 29.758 46.647) 74.858 34.983 ( -31.130 18.348 -11.605) 37.953 ======================= Grid point 190 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 18.220 -14.136 19.564) 30.242 2.780 ( 22.742 -20.272 19.053) 35.933 3.342 ( 6.585 -3.630 -16.029) 17.705 3.580 ( 7.042 -9.990 -13.784) 18.423 4.311 ( -6.543 6.770 9.030) 13.045 4.400 ( -4.115 4.587 7.542) 9.740 4.495 ( -4.637 8.490 3.727) 10.367 4.562 ( -1.851 1.180 10.168) 10.402 4.579 ( 0.858 2.692 8.992) 9.426 4.867 ( -7.250 3.925 -7.579) 11.199 5.082 ( -0.927 -1.426 -4.256) 4.583 5.171 ( -2.446 -2.831 9.904) 10.587 5.253 ( -3.949 3.622 -9.803) 11.172 5.609 ( 3.704 1.968 1.201) 4.363 5.693 ( 0.734 -2.555 -2.898) 3.932 5.923 ( 2.279 -0.734 -13.770) 13.977 6.053 ( -2.191 0.477 1.354) 2.620 6.218 ( 3.569 -2.978 6.358) 7.876 6.270 ( 4.573 3.608 -7.928) 9.838 6.666 ( 1.230 -8.499 -10.448) 13.524 6.951 ( 0.498 -5.858 19.200) 20.080 7.254 ( 2.603 -5.638 -1.243) 6.333 7.381 ( 0.746 0.376 -3.433) 3.533 7.565 ( 4.552 -5.398 -3.167) 7.739 7.656 ( -3.207 1.590 -2.809) 4.550 7.772 ( -1.724 -5.413 -13.174) 14.347 7.854 ( 7.214 0.762 15.359) 16.986 8.272 ( -1.349 -0.725 13.552) 13.639 8.361 ( -0.803 1.436 -2.928) 3.358 8.494 ( 8.898 -1.480 2.944) 9.488 8.733 ( 0.973 0.995 2.884) 3.202 8.809 ( 7.590 -6.651 -19.356) 21.829 8.855 ( 4.531 -1.859 -12.549) 13.471 9.230 ( 1.081 -5.151 -14.239) 15.181 10.296 ( -20.246 16.602 7.939) 27.359 10.497 ( -17.547 15.802 -1.380) 23.654 11.097 ( -4.829 8.692 10.136) 14.198 11.123 ( -3.446 4.825 0.087) 5.930 11.229 ( -3.256 6.863 11.884) 14.104 11.393 ( -9.916 2.014 6.291) 11.915 11.492 ( -10.377 18.484 1.326) 21.239 11.644 ( 3.087 -0.176 10.840) 11.272 11.751 ( -9.148 -0.328 10.595) 14.002 11.892 ( -3.530 -2.607 -2.867) 5.242 12.101 ( 0.686 4.132 -3.129) 5.228 12.325 ( -1.780 -1.504 -12.318) 12.536 12.593 ( -4.891 -5.676 -13.495) 15.436 13.058 ( 12.080 2.913 -27.171) 29.878 14.614 ( 4.175 -8.932 13.758) 16.926 14.774 ( 1.545 -5.096 10.538) 11.807 15.085 ( 11.321 -1.318 1.732) 11.529 15.317 ( 4.493 -10.308 -4.642) 12.165 16.381 ( 0.299 -2.866 0.820) 2.996 16.433 ( 2.124 -2.955 -1.841) 4.078 16.733 ( 4.022 0.555 0.575) 4.100 16.786 ( 3.703 -0.518 -2.104) 4.291 18.292 ( 2.333 -2.779 2.463) 4.385 18.396 ( 2.782 -1.505 -2.490) 4.026 19.006 ( -0.250 0.297 12.824) 12.830 19.162 ( -4.183 2.009 5.820) 7.444 19.391 ( -6.239 5.572 -2.972) 8.877 19.577 ( -7.064 5.952 -9.913) 13.550 19.864 ( -3.828 3.329 -0.027) 5.073 19.871 ( -4.108 2.758 -0.420) 4.966 20.728 ( -1.680 2.861 0.536) 3.361 20.821 ( -1.159 3.181 -3.754) 5.055 20.945 ( 2.718 -5.634 5.192) 8.130 21.175 ( 5.419 -4.302 -5.070) 8.578 24.390 ( 0.068 0.141 0.515) 0.538 24.411 ( 0.100 -0.051 -0.493) 0.505 25.203 ( 2.811 -4.673 3.436) 6.446 25.292 ( 1.144 -8.771 0.327) 8.852 25.679 ( 2.265 -7.415 2.484) 8.142 25.979 ( 7.367 1.495 -12.479) 14.568 27.068 ( 0.606 4.324 2.283) 4.927 27.148 ( -1.650 -3.781 3.182) 5.209 27.251 ( -1.828 -0.203 -1.121) 2.154 27.648 ( 5.037 1.516 -19.547) 20.242 29.438 ( 0.504 -3.536 4.229) 5.535 29.554 ( 2.786 0.146 4.514) 5.306 29.605 ( 6.564 3.628 -4.036) 8.517 29.813 ( -0.692 -3.491 -7.302) 8.123 30.186 ( 1.270 2.083 -3.186) 4.013 30.330 ( -0.982 -4.264 -8.261) 9.349 31.136 ( 8.207 -3.807 8.685) 12.541 31.221 ( 6.675 -6.406 3.204) 9.790 31.565 ( 5.324 -2.408 8.946) 10.685 31.900 ( 5.836 -12.371 -6.708) 15.235 33.113 ( -32.589 28.994 48.364) 65.129 34.273 ( -30.253 27.022 -16.740) 43.882 ======================= Grid point 191 (59/100) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 13.819 -15.588 11.306) 23.702 3.322 ( 16.878 -15.628 6.862) 24.003 3.467 ( 5.600 -5.384 -5.975) 9.801 3.786 ( 2.901 -6.693 -9.263) 11.791 3.978 ( -7.501 14.522 4.399) 16.926 4.218 ( -6.676 9.540 -4.980) 12.664 4.321 ( -3.510 3.845 11.813) 12.909 4.465 ( -5.901 6.560 5.764) 10.540 4.576 ( -0.702 -2.898 5.269) 6.054 4.761 ( -5.430 1.679 -12.473) 13.707 5.049 ( -1.621 2.230 -10.420) 10.778 5.139 ( -0.792 6.390 -10.860) 12.625 5.494 ( 10.915 -17.802 14.657) 25.512 5.626 ( 1.998 -0.563 5.038) 5.449 5.766 ( 1.629 -3.583 -1.905) 4.373 5.967 ( 2.548 -1.456 -7.463) 8.019 6.021 ( -2.100 1.069 0.465) 2.402 6.195 ( 0.978 5.432 -7.460) 9.280 6.343 ( 9.934 -1.898 12.192) 15.841 6.682 ( -5.631 4.179 1.726) 7.222 7.030 ( 0.562 -2.342 19.067) 19.219 7.376 ( 2.057 -4.903 6.339) 8.274 7.412 ( 1.710 -3.484 -8.977) 9.780 7.596 ( -1.668 -0.033 -10.961) 11.087 7.692 ( -0.182 -5.100 6.502) 8.266 7.815 ( 1.055 -1.506 -8.916) 9.103 7.935 ( 2.970 -2.313 12.815) 13.357 8.238 ( -2.919 0.893 11.833) 12.220 8.321 ( -4.039 1.765 2.415) 5.026 8.551 ( 4.605 4.027 7.968) 10.045 8.768 ( 3.761 -5.192 -4.127) 7.625 8.938 ( 2.065 -3.197 -13.082) 13.624 8.979 ( 4.252 -4.831 -21.648) 22.585 9.214 ( -7.836 4.233 -8.282) 12.162 9.927 ( -9.078 8.038 2.911) 12.470 10.189 ( -7.646 5.299 -8.581) 12.656 10.861 ( -3.461 10.157 8.486) 13.680 11.009 ( -6.106 5.173 5.056) 9.466 11.021 ( -1.213 11.401 -3.395) 11.958 11.191 ( -0.606 8.930 -0.005) 8.951 11.367 ( -3.854 -4.565 10.556) 12.129 11.644 ( -2.202 1.528 5.165) 5.819 11.727 ( 0.068 -2.422 18.172) 18.333 11.907 ( -3.239 -2.817 -1.070) 4.424 12.054 ( 0.465 2.136 -0.915) 2.370 12.324 ( -0.762 -0.013 -11.565) 11.590 12.625 ( -8.171 -5.766 -14.275) 17.429 13.112 ( 10.517 3.669 -28.629) 30.719 14.730 ( 2.192 -1.593 13.818) 14.082 14.918 ( 0.204 -8.787 11.978) 14.857 15.166 ( 6.588 1.779 2.734) 7.352 15.498 ( 1.627 -6.684 -4.218) 8.070 16.430 ( 0.889 -2.220 1.108) 2.636 16.489 ( 2.750 -0.588 -1.709) 3.291 16.760 ( 1.223 -0.392 -0.238) 1.306 16.818 ( 2.288 0.211 -3.198) 3.938 18.355 ( 1.120 -2.296 1.869) 3.165 18.435 ( 1.382 -0.596 -2.009) 2.511 18.993 ( 1.260 1.684 5.062) 5.482 19.058 ( -2.569 5.422 1.738) 6.246 19.308 ( -3.010 -1.579 1.494) 3.713 19.429 ( -6.710 3.114 -4.650) 8.737 19.780 ( -2.888 2.194 0.340) 3.643 19.798 ( -3.149 1.371 -0.453) 3.464 20.674 ( -0.217 2.361 -0.092) 2.373 20.766 ( -0.331 2.388 -3.766) 4.472 21.060 ( 2.201 -4.410 6.316) 8.011 21.281 ( 3.369 -2.724 -3.910) 5.836 24.391 ( 0.071 -0.180 0.468) 0.507 24.410 ( 0.065 0.259 -0.444) 0.518 25.298 ( 2.452 -3.411 6.849) 8.035 25.438 ( 2.398 -5.611 2.576) 6.623 25.806 ( -0.317 -5.816 -1.506) 6.016 25.987 ( 2.380 2.478 -8.784) 9.432 26.983 ( 0.521 5.492 4.422) 7.071 27.184 ( -1.981 -2.241 6.529) 7.182 27.262 ( -1.604 -3.524 -9.050) 9.843 27.628 ( 1.154 3.644 -16.901) 17.328 29.465 ( 1.149 0.750 1.854) 2.307 29.570 ( 2.389 1.359 2.901) 3.996 29.620 ( 4.684 1.713 -4.664) 6.829 29.872 ( 1.063 -2.557 -8.993) 9.410 30.171 ( -0.939 -0.394 0.149) 1.029 30.391 ( -2.442 -4.662 -8.223) 9.763 31.268 ( 7.599 -1.688 10.380) 12.975 31.358 ( 4.092 -3.209 3.848) 6.470 31.691 ( 6.357 -5.679 15.051) 17.297 32.179 ( 1.158 -7.601 2.950) 8.236 32.491 ( -12.368 9.120 26.115) 30.301 33.531 ( -24.475 26.767 -18.246) 40.601 ======================= Grid point 192 (60/100) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 2.143 -1.973 5.201) 5.962 3.454 ( 2.212 0.384 -2.107) 3.079 3.641 ( 1.453 2.238 4.715) 5.417 3.769 ( -2.170 10.933 0.464) 11.156 3.876 ( 7.181 -8.640 5.210) 12.384 4.065 ( -2.643 -0.389 -5.153) 5.804 4.292 ( 0.107 -3.109 7.368) 7.998 4.375 ( 0.578 0.449 8.822) 8.852 4.580 ( -3.371 -0.363 5.960) 6.857 4.779 ( 1.797 -2.863 -16.943) 17.277 4.931 ( -2.135 4.219 -11.785) 12.698 5.091 ( 1.516 0.837 -11.368) 11.499 5.655 ( 1.371 -0.327 8.124) 8.245 5.771 ( -0.340 -6.848 1.372) 6.992 5.811 ( -0.169 0.362 -0.237) 0.465 5.966 ( -2.108 3.540 -0.603) 4.164 6.027 ( 2.960 -1.159 -2.197) 3.864 6.113 ( 1.993 3.441 -7.997) 8.932 6.333 ( -5.975 10.640 15.531) 19.752 6.643 ( 10.152 -3.997 3.807) 11.556 7.056 ( 1.339 -0.322 16.277) 16.335 7.425 ( 1.673 0.252 3.055) 3.493 7.481 ( -0.832 -1.687 1.352) 2.317 7.629 ( 1.753 -3.095 -13.844) 14.294 7.742 ( -3.152 -2.458 6.900) 7.974 7.844 ( 2.030 1.292 -4.574) 5.168 7.972 ( 1.121 0.113 9.042) 9.112 8.213 ( -4.384 -1.675 6.685) 8.168 8.247 ( -5.853 -1.892 15.760) 16.918 8.498 ( 3.542 4.886 4.826) 7.728 8.908 ( -1.744 1.706 -6.055) 6.528 8.953 ( -5.004 -0.706 -11.682) 12.729 9.026 ( -2.270 2.451 -14.121) 14.511 9.054 ( -0.116 -3.347 -15.628) 15.983 9.827 ( -1.348 -0.906 0.706) 1.770 10.122 ( -2.380 -1.138 -12.007) 12.293 10.750 ( 1.372 0.391 6.634) 6.786 10.852 ( 0.743 3.587 2.462) 4.413 10.959 ( 0.898 -0.194 0.965) 1.333 11.099 ( 0.633 2.740 -2.514) 3.772 11.414 ( -3.163 -3.829 10.314) 11.447 11.607 ( -0.484 0.160 6.245) 6.266 11.789 ( 3.474 -2.154 16.525) 17.023 11.919 ( -2.740 -2.005 0.209) 3.402 12.041 ( 1.451 0.309 1.513) 2.119 12.323 ( 0.531 -0.330 -11.307) 11.324 12.635 ( -9.240 -5.636 -15.015) 18.509 13.142 ( 9.968 4.617 -29.311) 31.301 14.739 ( -1.250 0.859 15.062) 15.139 15.023 ( -0.807 -3.408 13.161) 13.619 15.159 ( 3.360 4.819 1.362) 6.030 15.566 ( -2.182 -1.558 -4.551) 5.282 16.472 ( 1.646 -1.033 0.822) 2.110 16.509 ( 3.319 1.612 -0.743) 3.764 16.758 ( -1.931 0.476 -0.766) 2.131 16.823 ( 0.808 1.166 -3.805) 4.061 18.385 ( -0.106 -0.497 1.295) 1.391 18.442 ( 0.003 0.640 -1.431) 1.568 18.955 ( 1.232 3.035 2.923) 4.390 19.010 ( 1.894 -0.589 0.034) 1.984 19.328 ( -4.602 -0.229 0.474) 4.632 19.371 ( -0.886 -4.792 -1.138) 5.004 19.743 ( -1.441 -0.501 0.596) 1.637 19.769 ( -1.744 -0.974 -0.626) 2.094 20.646 ( 0.326 0.797 -0.202) 0.885 20.731 ( -0.492 1.242 -3.730) 3.962 21.121 ( 0.822 -0.559 6.507) 6.583 21.327 ( 1.668 0.308 -3.185) 3.609 24.396 ( 0.025 -0.294 0.197) 0.354 24.404 ( 0.010 0.412 -0.178) 0.449 25.358 ( 2.052 -0.614 9.709) 9.943 25.512 ( 0.833 -0.978 5.148) 5.306 25.850 ( -0.115 1.145 -4.267) 4.420 25.968 ( -1.536 -0.400 -8.637) 8.781 26.918 ( 0.898 2.371 6.084) 6.591 27.198 ( -1.151 -1.528 6.176) 6.466 27.326 ( -0.538 -4.451 -15.040) 15.694 27.570 ( -0.127 3.182 -12.220) 12.628 29.455 ( 1.484 1.665 -0.092) 2.233 29.561 ( 2.352 2.064 -1.248) 3.369 29.619 ( 1.501 2.184 -2.182) 3.433 29.902 ( 0.516 0.283 -10.390) 10.407 30.179 ( -1.663 -1.682 3.007) 3.826 30.435 ( -2.726 -3.355 -7.172) 8.374 31.310 ( 4.233 3.989 8.892) 10.625 31.413 ( 1.826 0.421 3.262) 3.762 31.839 ( -1.520 2.315 27.020) 27.162 32.011 ( -0.190 -2.813 27.738) 27.881 32.705 ( -0.505 -5.383 -12.683) 13.787 32.993 ( -7.203 0.255 -16.852) 18.328 ======================= Grid point 194 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -4.364 20.379 12.125) 24.111 3.348 ( -2.740 18.593 5.942) 19.711 3.444 ( -5.296 11.473 1.474) 12.722 3.806 ( 5.010 -11.081 0.051) 12.161 3.999 ( 0.474 3.565 -9.912) 10.545 4.150 ( 0.636 -10.782 -5.425) 12.087 4.385 ( 4.744 -1.878 13.433) 14.369 4.456 ( 2.276 -8.113 8.339) 11.855 4.575 ( -1.295 -3.018 8.991) 9.572 4.820 ( 3.977 -4.653 -13.370) 14.705 4.993 ( -1.688 -7.857 -12.230) 14.634 5.090 ( 1.762 2.188 -13.386) 13.678 5.608 ( -3.071 15.201 15.678) 22.052 5.648 ( -1.402 7.462 5.256) 9.234 5.789 ( -0.149 1.973 -3.146) 3.717 5.880 ( -2.982 1.984 -1.534) 3.896 6.036 ( 0.693 -0.876 1.114) 1.578 6.160 ( -5.191 0.167 10.393) 11.618 6.161 ( 2.589 -2.779 -6.456) 7.490 6.779 ( 4.459 0.430 -9.727) 10.709 7.085 ( 4.904 1.018 15.525) 16.313 7.406 ( -0.458 2.807 1.490) 3.211 7.481 ( 2.892 2.244 0.674) 3.722 7.641 ( -4.565 0.304 1.407) 4.786 7.765 ( 1.625 0.113 0.312) 1.658 7.796 ( 0.369 3.025 -7.300) 7.910 7.943 ( -1.286 2.929 6.168) 6.949 8.191 ( -4.550 -2.085 8.610) 9.959 8.301 ( -4.173 -5.843 20.371) 21.599 8.475 ( 5.354 3.827 -3.051) 7.254 8.703 ( -5.652 6.145 -0.650) 8.374 8.867 ( -7.428 5.308 -20.278) 22.238 8.965 ( -1.594 5.158 -15.500) 16.413 9.211 ( 0.198 -9.209 -11.558) 14.780 9.926 ( 2.076 -11.484 0.803) 11.697 10.157 ( -0.296 -5.680 -9.611) 11.168 10.870 ( 2.570 -9.190 4.249) 10.446 10.922 ( 5.378 -8.869 5.947) 11.956 11.038 ( 3.691 -6.361 -0.167) 7.356 11.111 ( 1.570 -3.213 -1.772) 3.991 11.442 ( -1.677 -3.126 12.751) 13.235 11.631 ( 3.751 -0.604 8.737) 9.527 11.851 ( 0.244 -2.457 11.609) 11.869 11.924 ( -0.535 -0.422 1.707) 1.838 12.067 ( 1.817 -0.990 1.736) 2.701 12.355 ( 3.286 -1.274 -10.800) 11.360 12.634 ( -9.418 -4.765 -15.347) 18.626 13.142 ( 8.787 6.569 -28.333) 30.383 14.682 ( -3.311 2.900 14.356) 15.016 15.024 ( -1.736 1.730 12.093) 12.339 15.065 ( 0.160 8.079 1.735) 8.265 15.512 ( -3.534 4.386 -4.170) 7.008 16.492 ( 2.169 1.163 0.063) 2.462 16.505 ( 3.458 2.493 -0.332) 4.276 16.703 ( -4.217 2.311 0.077) 4.809 16.791 ( -1.111 2.327 -3.891) 4.668 18.365 ( -0.784 2.261 1.184) 2.670 18.417 ( -0.889 1.547 -1.330) 2.225 18.958 ( 0.902 -1.596 5.458) 5.757 19.089 ( 5.043 -4.684 -0.959) 6.949 19.293 ( -3.544 -1.163 3.556) 5.153 19.491 ( 1.856 -7.506 -5.304) 9.377 19.771 ( -0.055 -3.461 0.532) 3.502 19.797 ( -0.269 -3.331 -0.740) 3.423 20.656 ( 0.515 -1.596 -0.909) 1.907 20.717 ( -0.986 -0.534 -3.112) 3.308 21.090 ( -0.434 4.270 6.178) 7.523 21.304 ( 0.441 3.655 -3.374) 4.993 24.394 ( -0.067 0.421 0.267) 0.503 24.404 ( 0.005 -0.293 -0.242) 0.380 25.358 ( 2.317 2.880 10.258) 10.904 25.495 ( -0.990 2.431 5.840) 6.403 25.775 ( -2.066 5.547 -3.895) 7.086 25.954 ( -2.215 0.970 -11.389) 11.643 26.930 ( 1.135 -2.512 6.410) 6.978 27.214 ( -0.276 -1.089 5.379) 5.495 27.378 ( 1.987 -0.215 -17.518) 17.631 27.528 ( -2.130 0.490 -10.841) 11.059 29.442 ( 0.687 0.953 -0.656) 1.346 29.548 ( 1.531 2.004 -3.241) 4.107 29.578 ( -0.525 2.867 0.578) 2.972 29.879 ( -0.510 1.761 -10.550) 10.708 30.184 ( -1.026 -0.259 3.473) 3.631 30.446 ( -1.813 -0.419 -6.736) 6.988 31.226 ( 0.202 7.698 8.834) 11.719 31.370 ( -0.309 5.381 1.241) 5.530 31.651 ( -4.114 7.696 21.207) 22.932 32.269 ( 1.260 2.759 4.690) 5.586 32.478 ( -0.829 -11.529 22.074) 24.917 33.504 ( 9.709 -35.870 -17.733) 41.175 ======================= Grid point 195 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -2.806 23.958 21.955) 32.617 2.837 ( -4.457 30.635 18.886) 36.263 3.289 ( -2.550 6.421 -8.823) 11.206 3.699 ( -0.800 16.692 -20.537) 26.477 4.213 ( 1.630 -20.477 1.496) 20.596 4.367 ( 1.585 -11.639 -4.376) 12.535 4.470 ( -0.682 4.369 19.173) 19.676 4.514 ( 1.220 2.614 17.559) 17.794 4.571 ( -2.534 0.782 15.028) 15.260 4.981 ( 5.527 -5.277 -12.897) 14.991 5.069 ( -0.287 -3.709 -8.079) 8.894 5.147 ( -0.478 -13.879 -8.024) 16.038 5.367 ( 2.651 4.203 10.044) 11.206 5.553 ( -1.563 4.531 2.210) 5.278 5.730 ( 0.034 4.264 -7.146) 8.321 5.833 ( -1.993 0.843 -5.682) 6.080 6.077 ( -0.344 -3.166 1.077) 3.361 6.159 ( -0.794 -1.490 6.922) 7.125 6.217 ( 1.102 -1.452 -5.272) 5.579 6.719 ( -1.754 6.785 -21.934) 23.027 7.058 ( 2.485 7.112 18.567) 20.037 7.325 ( -2.547 3.885 2.490) 5.271 7.459 ( 6.758 5.784 -4.505) 9.971 7.594 ( -5.481 1.870 2.761) 6.416 7.699 ( 1.756 4.075 -11.242) 12.086 7.770 ( -1.213 4.761 14.840) 15.632 7.877 ( -0.118 3.981 -12.602) 13.216 8.210 ( -1.717 -3.656 14.716) 15.260 8.281 ( -4.527 0.156 12.749) 13.529 8.439 ( 2.258 5.167 -8.900) 10.536 8.668 ( -1.273 0.271 -1.249) 1.803 8.680 ( -4.971 3.910 -18.142) 19.213 8.841 ( -1.785 6.596 -10.228) 12.300 9.264 ( -1.188 2.670 -15.315) 15.591 10.279 ( 3.136 -25.462 3.879) 25.946 10.373 ( 1.582 -19.909 -1.391) 20.020 11.019 ( -0.065 -6.994 7.853) 10.516 11.190 ( 5.513 -9.714 3.314) 11.651 11.222 ( 1.639 -7.880 2.459) 8.415 11.304 ( 3.682 -22.262 4.573) 23.023 11.497 ( -0.277 -4.191 12.220) 12.922 11.711 ( 9.245 -2.366 8.879) 13.035 11.884 ( -4.556 -4.704 7.361) 9.852 11.913 ( 0.075 1.634 2.040) 2.615 12.095 ( 0.570 -0.548 0.452) 0.911 12.424 ( 6.932 -0.521 -9.652) 11.894 12.606 ( -9.670 -2.874 -16.930) 19.708 13.078 ( 5.686 9.596 -26.004) 28.295 14.588 ( -2.840 4.033 12.075) 13.044 14.898 ( -0.572 10.088 -2.692) 10.456 14.929 ( -2.684 7.809 15.646) 17.691 15.364 ( -2.469 8.544 -3.586) 9.589 16.467 ( 2.201 4.161 -0.116) 4.709 16.491 ( 2.103 3.076 -1.457) 4.001 16.615 ( -4.359 2.101 1.718) 5.135 16.729 ( -1.792 2.969 -3.681) 5.057 18.302 ( -0.746 3.887 1.669) 4.295 18.373 ( -0.876 2.493 -1.763) 3.177 19.003 ( 0.607 -2.149 10.024) 10.270 19.231 ( 3.556 -3.216 6.632) 8.183 19.331 ( -1.063 -9.026 -2.393) 9.398 19.645 ( 2.423 -7.543 -9.391) 12.286 19.851 ( 0.561 -5.201 0.285) 5.239 19.871 ( 0.537 -4.894 -0.705) 4.974 20.710 ( 0.661 -3.905 -1.588) 4.267 20.734 ( -1.278 -2.825 -1.421) 3.411 20.988 ( -0.517 5.986 4.612) 7.574 21.212 ( -0.256 7.043 -4.447) 8.333 24.387 ( -0.054 0.184 0.522) 0.556 24.408 ( -0.020 -0.150 -0.476) 0.500 25.314 ( 3.125 5.361 8.804) 10.771 25.429 ( -0.980 3.459 4.832) 6.023 25.638 ( -3.327 6.838 -3.321) 8.298 25.865 ( -2.778 7.254 -15.435) 17.280 27.007 ( 0.764 -4.551 4.971) 6.782 27.226 ( 0.224 -0.363 4.250) 4.272 27.373 ( 4.411 4.014 -13.323) 14.597 27.479 ( -5.493 2.035 -12.633) 13.925 29.441 ( -0.333 -0.771 -0.973) 1.286 29.491 ( -0.699 4.957 -4.316) 6.609 29.542 ( 0.041 0.993 5.715) 5.801 29.851 ( -0.086 0.880 -9.723) 9.763 30.167 ( -0.387 1.263 1.829) 2.256 30.412 ( -0.641 2.983 -7.711) 8.293 31.080 ( -1.334 7.950 8.798) 11.933 31.236 ( -1.305 8.860 0.379) 8.963 31.522 ( -1.580 4.524 14.598) 15.364 32.005 ( -2.403 14.343 -9.304) 17.265 33.094 ( 8.015 -43.227 49.035) 65.858 34.256 ( 7.579 -40.550 -16.469) 44.418 ======================= Grid point 196 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 21.398 31.519) 38.096 2.305 ( 0.000 26.733 29.809) 40.040 3.169 ( 0.000 5.645 -14.998) 16.026 3.423 ( 0.000 13.941 -22.762) 26.692 3.993 ( 0.000 31.813 53.073) 61.877 4.448 ( -0.000 -4.190 9.034) 9.958 4.542 ( -0.000 -0.380 17.000) 17.004 4.645 ( -0.000 -20.205 -1.213) 20.241 4.748 ( -0.000 -15.555 1.504) 15.628 5.069 ( -0.000 -2.881 -11.690) 12.040 5.121 ( -0.000 -0.320 -7.618) 7.625 5.446 ( -0.000 -17.532 -5.755) 18.452 5.473 ( 0.000 3.358 -0.185) 3.363 5.490 ( -0.000 -13.763 2.177) 13.934 5.653 ( 0.000 4.907 -9.057) 10.301 5.827 ( -0.000 -2.109 -15.536) 15.678 6.131 ( -0.000 -3.037 -0.359) 3.058 6.140 ( 0.000 4.294 2.096) 4.779 6.232 ( -0.000 -0.034 -5.152) 5.152 6.543 ( 0.000 12.014 -29.893) 32.217 6.937 ( 0.000 6.662 21.913) 22.903 7.254 ( 0.000 2.842 1.311) 3.129 7.376 ( 0.000 11.125 -6.082) 12.679 7.441 ( 0.000 8.483 -6.191) 10.502 7.584 ( 0.000 12.752 -15.148) 19.801 7.727 ( -0.000 -1.163 20.189) 20.223 7.755 ( 0.000 7.978 -15.954) 17.838 8.263 ( -0.000 -2.592 15.481) 15.697 8.276 ( -0.000 -0.622 9.116) 9.138 8.390 ( -0.000 -0.994 -4.450) 4.560 8.549 ( 0.000 4.105 -19.907) 20.326 8.721 ( -0.000 -1.991 -1.209) 2.329 8.724 ( 0.000 5.713 -3.807) 6.865 9.145 ( 0.000 8.765 -16.759) 18.912 10.773 ( -0.000 -27.661 10.331) 29.527 10.835 ( -0.000 -30.653 6.210) 31.275 11.107 ( -0.000 -3.216 13.810) 14.179 11.331 ( -0.000 -3.854 17.077) 17.507 11.364 ( -0.000 -7.803 -3.526) 8.563 11.567 ( -0.000 -4.354 8.723) 9.749 11.796 ( -0.000 -27.689 5.786) 28.287 11.813 ( 0.000 1.522 9.490) 9.612 11.890 ( -0.000 -0.409 -5.231) 5.247 12.028 ( -0.000 -15.899 3.491) 16.277 12.105 ( -0.000 -5.601 0.740) 5.650 12.468 ( 0.000 2.536 -4.767) 5.400 12.570 ( -0.000 -1.599 -24.600) 24.651 12.922 ( 0.000 11.786 -22.779) 25.648 14.506 ( 0.000 3.475 9.036) 9.681 14.692 ( 0.000 16.890 17.039) 23.992 14.733 ( 0.000 8.745 -2.758) 9.169 15.199 ( 0.000 9.307 -6.456) 11.327 16.396 ( 0.000 4.873 -0.012) 4.873 16.431 ( 0.000 4.939 -1.938) 5.306 16.571 ( 0.000 0.449 1.841) 1.895 16.667 ( 0.000 2.844 -2.858) 4.032 18.230 ( 0.000 3.777 2.212) 4.377 18.321 ( 0.000 2.836 -2.151) 3.559 19.027 ( -0.000 -0.219 15.924) 15.926 19.267 ( -0.000 -0.839 12.431) 12.460 19.545 ( -0.000 -13.421 -9.049) 16.186 19.776 ( -0.000 -5.751 -12.035) 13.338 19.944 ( -0.000 -4.943 0.112) 4.945 19.960 ( -0.000 -4.752 -0.680) 4.800 20.751 ( 0.000 0.578 2.570) 2.634 20.807 ( -0.000 -5.559 -1.558) 5.774 20.934 ( -0.000 -1.656 0.203) 1.669 21.073 ( 0.000 7.947 -5.054) 9.418 24.387 ( -0.000 -0.162 0.548) 0.571 24.409 ( 0.000 0.077 -0.498) 0.504 25.219 ( 0.000 7.742 5.341) 9.405 25.384 ( 0.000 1.690 3.147) 3.572 25.503 ( 0.000 6.111 -2.570) 6.630 25.627 ( 0.000 18.776 -18.720) 26.514 27.074 ( -0.000 -2.498 2.563) 3.579 27.235 ( -0.000 -0.460 3.043) 3.077 27.304 ( 0.000 8.884 -13.067) 15.801 27.374 ( 0.000 3.428 -3.657) 5.013 29.398 ( 0.000 4.892 1.274) 5.055 29.472 ( -0.000 -3.363 -2.092) 3.961 29.532 ( 0.000 0.262 6.568) 6.574 29.847 ( -0.000 -0.149 -8.770) 8.771 30.142 ( 0.000 1.076 -0.797) 1.339 30.337 ( 0.000 5.183 -8.797) 10.211 30.949 ( 0.000 6.095 7.453) 9.627 31.063 ( 0.000 9.953 1.315) 10.040 31.460 ( 0.000 1.806 9.276) 9.450 31.776 ( 0.000 11.154 -6.241) 12.782 34.030 ( -0.000 -59.092 47.400) 75.754 34.973 ( -0.000 -36.695 -11.491) 38.452 ======================= Grid point 199 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 29.695 0.000 22.834) 37.459 2.394 ( 23.490 0.000 30.039) 38.133 3.315 ( 7.745 0.000 -14.162) 16.141 3.357 ( 11.498 0.000 -22.258) 25.052 4.054 ( 22.206 0.000 47.391) 52.335 4.468 ( -2.215 -0.000 13.750) 13.927 4.523 ( 0.640 0.000 15.331) 15.344 4.790 ( -13.623 -0.000 -7.057) 15.343 4.893 ( -15.933 -0.000 -4.940) 16.681 5.024 ( -7.197 -0.000 4.237) 8.352 5.084 ( -13.579 -0.000 3.383) 13.994 5.091 ( 0.204 0.000 -9.003) 9.005 5.256 ( -7.146 -0.000 -6.397) 9.591 5.660 ( -1.762 -0.000 -1.083) 2.068 5.746 ( 2.207 0.000 -4.935) 5.406 5.891 ( -2.370 -0.000 -6.374) 6.800 6.041 ( -1.099 -0.000 -4.181) 4.323 6.110 ( 6.300 0.000 3.709) 7.311 6.385 ( 7.654 0.000 -15.570) 17.350 6.402 ( 5.010 0.000 -27.454) 27.908 6.782 ( -1.482 -0.000 15.952) 16.021 7.119 ( 5.752 0.000 6.015) 8.322 7.389 ( 5.229 0.000 -8.917) 10.337 7.496 ( 4.636 0.000 -6.926) 8.335 7.646 ( -7.624 -0.000 -2.412) 7.997 7.676 ( 4.154 0.000 -12.176) 12.865 7.921 ( 10.188 0.000 7.393) 12.587 8.233 ( 0.113 0.000 13.546) 13.546 8.359 ( 8.086 0.000 3.673) 8.881 8.491 ( -0.402 -0.000 -9.946) 9.954 8.642 ( 8.161 0.000 1.646) 8.326 8.717 ( -0.214 -0.000 -2.507) 2.516 8.936 ( 7.566 0.000 -6.147) 9.749 9.071 ( 5.123 0.000 -20.091) 20.734 10.655 ( -26.207 -0.000 12.316) 28.957 10.871 ( -34.635 -0.000 3.294) 34.791 11.165 ( -0.621 -0.000 11.159) 11.176 11.251 ( -10.582 -0.000 -3.052) 11.014 11.314 ( -6.365 -0.000 14.661) 15.983 11.529 ( -6.198 -0.000 9.134) 11.038 11.609 ( 3.567 0.000 8.698) 9.401 11.686 ( -27.782 -0.000 -1.401) 27.817 11.820 ( -1.340 -0.000 -6.970) 7.098 11.899 ( -8.099 -0.000 13.585) 15.816 12.216 ( -0.826 -0.000 -13.405) 13.430 12.301 ( 0.565 0.000 11.130) 11.144 12.564 ( 0.215 0.000 -18.705) 18.706 13.143 ( 13.678 0.000 -30.038) 33.005 14.332 ( 4.959 0.000 19.023) 19.658 14.794 ( 1.833 0.000 13.488) 13.612 15.011 ( 6.526 0.000 -14.258) 15.681 15.050 ( 18.549 0.000 -1.441) 18.605 16.308 ( 0.079 0.000 0.502) 0.508 16.355 ( 2.648 0.000 -1.471) 3.030 16.763 ( 5.225 0.000 0.070) 5.225 16.779 ( 5.391 0.000 -0.891) 5.464 18.238 ( 3.312 0.000 3.069) 4.515 18.364 ( 4.048 0.000 -2.947) 5.007 18.992 ( -1.305 -0.000 19.785) 19.828 19.190 ( -3.789 -0.000 8.783) 9.566 19.491 ( -10.861 -0.000 -6.751) 12.788 19.765 ( -5.858 -0.000 -17.126) 18.100 19.926 ( -5.213 -0.000 -0.167) 5.216 19.934 ( -5.075 -0.000 -0.859) 5.147 20.771 ( 3.889 0.000 7.530) 8.475 20.805 ( -4.139 -0.000 0.069) 4.140 20.895 ( -3.990 -0.000 -2.168) 4.541 21.108 ( 7.489 0.000 -6.196) 9.720 24.399 ( 0.015 0.000 0.124) 0.125 24.404 ( 0.089 0.000 -0.118) 0.147 25.016 ( 4.130 0.000 4.154) 5.858 25.148 ( 4.924 0.000 -2.304) 5.436 25.535 ( 4.216 0.000 8.157) 9.183 26.008 ( 11.156 0.000 -16.855) 20.212 27.074 ( -0.399 -0.000 4.857) 4.874 27.132 ( 1.779 0.000 0.138) 1.784 27.264 ( -0.842 -0.000 1.870) 2.051 27.665 ( 9.714 0.000 -21.833) 23.896 29.325 ( 0.209 0.000 7.645) 7.648 29.567 ( 3.542 0.000 5.478) 6.523 29.677 ( 0.220 0.000 -9.529) 9.532 29.752 ( 2.854 0.000 -3.111) 4.222 30.262 ( 4.710 0.000 -4.790) 6.718 30.263 ( 1.051 0.000 -5.121) 5.227 31.050 ( 8.142 0.000 4.214) 9.168 31.062 ( 9.232 0.000 3.754) 9.966 31.537 ( 2.996 0.000 4.201) 5.160 31.682 ( 8.353 0.000 -2.644) 8.761 33.754 ( -54.661 -0.000 48.658) 73.181 34.790 ( -38.171 -0.000 -13.522) 40.495 ======================= Grid point 200 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 24.742 -3.376 20.396) 32.242 2.781 ( 29.782 -10.299 17.653) 36.121 3.387 ( 8.983 0.027 -14.739) 17.261 3.534 ( 10.425 -5.647 -14.111) 18.430 4.267 ( 0.281 -4.565 22.544) 23.003 4.425 ( -3.661 2.642 10.555) 11.480 4.510 ( -5.140 1.303 9.424) 10.814 4.608 ( -6.724 5.074 -1.918) 8.639 4.640 ( -13.964 7.644 0.579) 15.930 4.864 ( -9.841 5.707 -2.501) 11.647 5.041 ( 6.288 -2.694 10.185) 12.269 5.140 ( -0.554 -1.459 -2.228) 2.720 5.204 ( -5.889 -2.320 -8.839) 10.872 5.654 ( -1.619 -1.122 0.021) 1.970 5.716 ( 4.947 4.222 -2.019) 6.810 5.917 ( -0.587 -1.990 -6.426) 6.753 6.049 ( 1.186 -0.284 -2.057) 2.391 6.178 ( 2.469 -3.033 3.428) 5.201 6.400 ( 7.853 3.558 -11.994) 14.771 6.537 ( 1.890 -6.661 -15.369) 16.857 6.829 ( -1.706 -6.877 15.064) 16.647 7.214 ( 5.275 -3.455 5.285) 8.228 7.400 ( -0.551 1.082 -4.436) 4.599 7.539 ( 0.776 -2.393 -5.657) 6.191 7.610 ( -6.380 -5.233 -7.179) 10.937 7.719 ( 5.767 2.239 -8.709) 10.682 7.967 ( 6.063 2.938 12.488) 14.190 8.236 ( -1.746 -0.735 18.733) 18.829 8.409 ( 1.791 3.324 -6.074) 7.152 8.535 ( 7.269 -3.647 -2.239) 8.436 8.724 ( -1.182 -0.992 -0.618) 1.663 8.764 ( 5.792 -5.323 -8.077) 11.275 8.943 ( 5.774 4.568 -11.285) 13.475 9.172 ( 3.301 -3.937 -17.491) 18.230 10.312 ( -22.551 10.249 6.355) 25.573 10.470 ( -27.017 7.139 0.295) 27.946 11.112 ( -11.013 3.415 0.175) 11.531 11.159 ( -0.025 -0.115 5.885) 5.886 11.253 ( -6.794 -0.659 9.152) 11.418 11.394 ( -9.365 7.729 6.424) 13.737 11.468 ( -16.283 0.129 4.443) 16.878 11.662 ( 3.876 -1.350 10.649) 11.413 11.757 ( -3.177 6.323 6.125) 9.359 11.829 ( -2.456 -0.668 1.690) 3.055 12.203 ( -0.024 3.556 -2.516) 4.356 12.273 ( -0.719 0.255 -1.566) 1.741 12.555 ( 0.930 1.321 -15.481) 15.565 13.234 ( 11.635 3.383 -30.829) 33.124 14.473 ( 4.598 -9.755 18.349) 21.284 14.776 ( 1.197 1.619 14.797) 14.934 15.150 ( 5.363 -5.575 -9.258) 12.065 15.242 ( 13.810 -3.328 -5.114) 15.098 16.332 ( -0.008 -2.687 1.000) 2.867 16.405 ( 2.394 -2.700 -2.122) 4.186 16.794 ( 3.770 1.508 0.122) 4.063 16.828 ( 4.745 0.294 -1.611) 5.020 18.282 ( 2.835 -1.336 3.029) 4.358 18.408 ( 3.432 -0.615 -3.018) 4.611 18.988 ( -1.459 -1.301 15.986) 16.105 19.145 ( -3.581 1.027 7.526) 8.398 19.375 ( -8.864 1.781 -4.838) 10.254 19.637 ( -6.007 7.174 -13.601) 16.508 19.861 ( -5.139 1.514 -0.202) 5.361 19.866 ( -5.046 1.842 -0.402) 5.387 20.749 ( -1.411 1.605 1.853) 2.829 20.846 ( -1.172 1.015 -3.713) 4.024 20.874 ( 2.089 -4.753 7.584) 9.191 21.192 ( 6.813 -1.352 -6.841) 9.749 24.394 ( 0.007 0.332 0.355) 0.486 24.409 ( 0.100 -0.283 -0.337) 0.451 25.134 ( 4.178 -7.632 2.873) 9.163 25.214 ( 4.482 -2.180 -0.781) 5.045 25.599 ( 1.684 -3.565 9.038) 9.861 26.080 ( 6.138 1.643 -14.328) 15.673 27.083 ( -1.517 -1.972 6.466) 6.928 27.135 ( 1.814 2.004 0.452) 2.740 27.244 ( -1.345 0.998 0.748) 1.834 27.724 ( 4.304 1.637 -24.200) 24.634 29.365 ( 0.005 -4.167 6.522) 7.739 29.599 ( 4.194 0.694 4.720) 6.352 29.682 ( -1.396 -2.152 -8.080) 8.478 29.794 ( 7.229 1.758 -3.409) 8.183 30.248 ( 0.247 2.529 -4.587) 5.243 30.299 ( 2.940 0.337 -6.346) 7.002 31.156 ( 7.765 -2.986 6.227) 10.392 31.199 ( 8.615 -4.808 3.929) 10.619 31.589 ( 5.241 -1.718 6.016) 8.162 31.818 ( 9.541 -5.026 -4.690) 11.759 33.124 ( -41.043 14.680 48.089) 64.904 34.285 ( -37.544 13.504 -16.964) 43.356 ======================= Grid point 201 (66/100) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 19.864 -7.396 13.017) 24.874 3.267 ( 24.262 -13.737 11.200) 30.046 3.478 ( 6.765 -0.669 -11.599) 13.444 3.717 ( 6.117 -5.306 -5.257) 9.655 4.121 ( -8.843 9.989 5.416) 14.398 4.271 ( -10.505 6.125 -3.427) 12.634 4.372 ( -6.119 5.562 7.642) 11.260 4.484 ( -5.207 2.724 5.257) 7.885 4.519 ( -4.449 0.071 5.643) 7.186 4.723 ( -5.703 1.070 -8.950) 10.667 5.053 ( -2.747 0.841 -7.898) 8.404 5.190 ( -2.579 0.646 -11.176) 11.488 5.377 ( 16.736 -11.192 17.937) 26.965 5.656 ( 1.843 0.477 2.474) 3.122 5.742 ( 4.222 -1.240 -0.035) 4.401 5.930 ( -1.906 -1.676 -2.666) 3.681 6.055 ( 2.268 1.873 -2.361) 3.772 6.248 ( 0.615 -1.830 -3.848) 4.305 6.434 ( 10.232 1.012 0.712) 10.306 6.613 ( -6.586 -3.512 1.849) 7.689 6.952 ( -0.172 -7.383 15.957) 17.583 7.312 ( 2.572 -3.493 0.967) 4.445 7.397 ( 1.472 -1.285 -4.726) 5.114 7.557 ( -5.903 -3.200 -1.616) 6.907 7.690 ( 7.086 1.094 -6.695) 9.810 7.728 ( -2.462 -5.115 -9.521) 11.084 7.977 ( 5.068 1.989 14.810) 15.779 8.216 ( -3.710 -0.137 18.573) 18.941 8.339 ( -2.066 4.358 -1.033) 4.932 8.619 ( -1.056 0.795 7.825) 7.936 8.741 ( 3.364 -1.954 -7.312) 8.283 8.903 ( 1.023 -5.594 -15.909) 16.895 8.950 ( 5.260 -0.040 -13.661) 14.638 9.200 ( -3.426 1.693 -14.008) 14.520 9.963 ( -11.803 8.189 2.131) 14.523 10.167 ( -13.361 4.170 -6.443) 15.409 10.935 ( -9.400 4.758 2.274) 10.778 11.118 ( -0.838 6.016 1.665) 6.298 11.148 ( -5.052 11.446 6.374) 14.041 11.249 ( -2.779 -5.286 7.850) 9.863 11.310 ( -6.915 4.212 3.100) 8.670 11.610 ( -4.688 4.989 3.896) 7.877 11.733 ( 4.333 -1.573 12.572) 13.390 11.830 ( -2.229 -2.170 2.982) 4.309 12.124 ( 1.461 4.711 5.206) 7.172 12.287 ( -2.149 -2.345 -11.477) 11.909 12.532 ( -1.655 1.015 -11.863) 12.020 13.272 ( 9.144 3.751 -31.211) 32.739 14.699 ( 4.031 -8.593 16.441) 18.984 14.783 ( -0.478 -3.389 17.797) 18.123 15.259 ( 6.331 -0.265 -5.235) 8.219 15.409 ( 4.381 -5.006 -7.381) 9.936 16.389 ( 0.486 -3.441 1.429) 3.758 16.483 ( 2.464 -3.296 -2.836) 4.998 16.790 ( 1.781 2.096 0.475) 2.792 16.859 ( 3.671 0.969 -2.960) 4.814 18.332 ( 1.537 -1.756 2.575) 3.475 18.444 ( 1.925 -0.274 -2.776) 3.389 19.009 ( 0.569 -1.366 9.778) 9.890 19.093 ( -2.628 1.171 4.593) 5.419 19.270 ( -5.469 1.817 -1.944) 6.082 19.443 ( -6.360 7.184 -8.296) 12.684 19.783 ( -4.093 1.969 0.074) 4.543 19.786 ( -4.127 1.759 -0.150) 4.489 20.714 ( 0.222 2.081 0.869) 2.267 20.801 ( -0.635 2.293 -2.989) 3.820 20.995 ( 2.235 -5.704 7.478) 9.667 21.280 ( 4.715 -2.069 -5.924) 7.848 24.391 ( 0.015 0.095 0.554) 0.562 24.413 ( 0.097 -0.031 -0.519) 0.528 25.276 ( 4.083 -3.112 3.181) 6.039 25.352 ( 4.544 -8.600 1.676) 9.870 25.674 ( -2.525 -5.561 6.207) 8.708 26.078 ( 3.032 3.648 -10.921) 11.907 27.087 ( 0.843 4.495 2.564) 5.243 27.112 ( -1.875 -2.565 6.538) 7.269 27.218 ( -1.107 -0.098 -2.790) 3.003 27.699 ( 0.627 3.559 -21.896) 22.193 29.441 ( 0.012 -3.983 5.417) 6.724 29.623 ( 3.664 1.362 4.933) 6.294 29.708 ( 1.793 0.040 -7.603) 7.812 29.844 ( 5.466 -0.769 -4.702) 7.251 30.188 ( -1.553 3.217 -4.155) 5.480 30.316 ( -0.107 -1.004 -7.979) 8.043 31.292 ( 6.821 -4.071 10.474) 13.146 31.358 ( 6.905 -3.719 5.122) 9.367 31.694 ( 7.533 -2.760 7.978) 11.314 32.038 ( 8.193 -10.225 -6.421) 14.591 32.533 ( -25.075 14.376 39.459) 48.912 33.655 ( -30.753 19.250 -18.678) 40.807 ======================= Grid point 202 (67/100) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 9.703 -6.570 7.504) 13.915 3.499 ( 3.049 2.214 -3.386) 5.065 3.674 ( 11.277 -8.337 3.842) 14.541 3.802 ( -1.102 -1.259 -0.766) 1.840 3.935 ( 3.447 6.017 3.538) 7.785 4.066 ( -8.772 5.573 -0.234) 10.396 4.262 ( -1.520 1.514 9.424) 9.665 4.385 ( -1.121 1.581 4.135) 4.566 4.511 ( -5.742 -2.539 5.605) 8.416 4.735 ( 2.843 -3.810 -15.382) 16.100 5.009 ( -2.211 3.171 -10.174) 10.884 5.122 ( -1.271 3.237 -11.940) 12.436 5.623 ( 1.477 -5.163 11.120) 12.349 5.702 ( 5.590 -2.206 3.722) 7.068 5.812 ( 2.795 -1.345 -0.986) 3.254 5.945 ( -2.847 -1.564 2.616) 4.171 6.039 ( 2.079 0.535 -5.567) 5.966 6.222 ( 1.654 5.301 -9.979) 11.420 6.486 ( -4.481 9.633 13.891) 17.488 6.633 ( 9.201 -9.254 4.807) 13.907 7.047 ( 1.604 -3.182 18.873) 19.207 7.397 ( -0.150 -4.472 4.181) 6.124 7.443 ( 0.161 -1.646 -4.903) 5.175 7.578 ( -0.785 -3.903 -8.578) 9.456 7.692 ( 0.218 0.187 -2.263) 2.281 7.841 ( 2.182 -5.045 -10.130) 11.525 7.990 ( 3.122 1.154 17.570) 17.882 8.169 ( -4.488 0.928 15.062) 15.744 8.218 ( -5.069 5.228 8.715) 11.357 8.544 ( -5.312 0.448 10.219) 11.525 8.836 ( 2.744 -3.811 -11.901) 12.794 8.967 ( 0.399 -2.276 -17.006) 17.162 8.995 ( -2.397 2.059 -10.265) 10.740 9.078 ( -2.286 4.419 -16.455) 17.191 9.814 ( -2.924 1.829 -0.789) 3.538 10.067 ( -4.046 -1.402 -11.139) 11.933 10.793 ( -4.644 2.762 4.414) 6.977 10.930 ( -0.084 10.033 11.210) 15.044 11.003 ( -1.967 3.528 -1.767) 4.409 11.212 ( 3.451 5.781 -0.151) 6.734 11.321 ( -0.983 -3.708 4.721) 6.083 11.522 ( -7.587 -3.176 1.251) 8.320 11.799 ( 3.145 -1.171 10.538) 11.060 11.859 ( -0.566 -2.813 6.140) 6.777 12.081 ( 2.019 2.393 9.904) 10.387 12.306 ( -1.308 -2.142 -13.997) 14.220 12.497 ( -4.340 -0.799 -10.750) 11.621 13.293 ( 7.041 3.183 -31.372) 32.309 14.744 ( -0.521 0.874 18.499) 18.527 14.931 ( 1.108 -8.002 16.945) 18.772 15.284 ( 5.474 4.280 -5.574) 8.908 15.491 ( -2.260 -3.756 -6.295) 7.671 16.453 ( 1.132 -2.914 1.628) 3.525 16.553 ( 3.189 -1.350 -2.824) 4.469 16.760 ( -0.767 2.031 0.732) 2.291 16.864 ( 1.987 1.890 -4.097) 4.931 18.368 ( 0.294 -1.360 1.904) 2.358 18.454 ( 0.522 0.480 -2.230) 2.340 19.021 ( -0.090 1.647 3.828) 4.168 19.057 ( 3.912 3.010 1.623) 5.196 19.239 ( -3.368 -4.223 -0.160) 5.404 19.299 ( -6.585 1.634 -2.898) 7.378 19.725 ( -2.381 0.718 0.344) 2.511 19.736 ( -2.667 -0.067 -0.175) 2.674 20.678 ( 0.504 2.345 0.273) 2.414 20.758 ( -0.368 2.179 -2.781) 3.552 21.097 ( 1.413 -3.635 7.243) 8.226 21.343 ( 2.495 -0.877 -4.573) 5.282 24.392 ( 0.020 -0.196 0.486) 0.524 24.411 ( 0.051 0.318 -0.448) 0.551 25.357 ( 3.087 -2.254 7.390) 8.320 25.502 ( 3.438 -2.597 7.243) 8.428 25.757 ( -3.679 -8.412 -3.166) 9.712 26.020 ( 0.792 5.319 -8.639) 10.176 27.001 ( 1.034 5.724 3.575) 6.828 27.142 ( -1.962 -3.013 7.494) 8.312 27.241 ( -0.593 -3.579 -8.417) 9.166 27.633 ( -0.262 4.015 -17.381) 17.841 29.485 ( 0.767 -0.565 3.415) 3.545 29.620 ( 2.303 2.241 4.766) 5.748 29.704 ( 3.054 3.362 -8.068) 9.259 29.913 ( 3.468 -0.887 -8.141) 8.893 30.131 ( -3.296 -0.076 -0.785) 3.389 30.340 ( -2.221 -3.354 -7.413) 8.434 31.410 ( 5.894 -1.095 11.539) 13.003 31.438 ( 3.854 0.437 6.092) 7.222 31.820 ( 6.180 -3.708 15.471) 17.067 32.050 ( -9.806 9.910 28.753) 31.954 32.451 ( 4.602 -19.300 -9.557) 22.023 33.070 ( -20.712 18.195 -17.770) 32.800 ======================= Grid point 203 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -0.640 7.980 6.296) 10.185 3.478 ( 0.034 3.948 -1.909) 4.385 3.689 ( 2.682 -1.278 7.634) 8.191 3.732 ( -0.862 18.452 6.288) 19.513 3.967 ( 0.716 -9.373 -0.630) 9.422 4.036 ( -0.702 -4.079 -7.059) 8.183 4.332 ( 3.485 -7.361 8.407) 11.705 4.413 ( 2.947 -1.584 8.351) 8.996 4.498 ( -4.769 -2.397 7.965) 9.588 4.834 ( 3.442 -0.519 -16.031) 16.405 4.893 ( -2.212 1.476 -13.028) 13.296 5.118 ( 0.961 -1.282 -12.003) 12.109 5.665 ( -0.499 -0.200 8.515) 8.532 5.772 ( 0.343 0.781 3.723) 3.819 5.819 ( 2.368 1.799 0.665) 3.047 5.898 ( -4.380 1.583 0.330) 4.669 6.081 ( 1.895 1.152 -2.765) 3.545 6.150 ( 1.165 1.606 -7.444) 7.704 6.209 ( -4.367 13.595 16.629) 21.919 6.832 ( 5.312 -1.562 -6.038) 8.193 7.139 ( 7.460 -2.930 15.199) 17.183 7.417 ( -3.990 0.186 1.927) 4.435 7.480 ( 0.565 -3.201 1.802) 3.716 7.600 ( -3.682 0.169 1.023) 3.825 7.730 ( 2.089 -4.183 -5.955) 7.572 7.875 ( 1.046 3.881 -14.920) 15.452 8.000 ( 1.410 4.137 13.618) 14.302 8.119 ( -3.735 -1.096 16.455) 16.909 8.137 ( -4.369 -6.236 23.418) 24.625 8.551 ( 1.703 -1.809 4.694) 5.311 8.808 ( -3.441 10.505 -4.511) 11.939 8.861 ( -3.822 1.573 -17.329) 17.815 9.026 ( 1.249 0.256 -17.721) 17.767 9.058 ( -0.582 -4.542 -18.305) 18.869 9.814 ( -0.153 -3.371 -0.773) 3.462 10.087 ( -0.908 -2.859 -12.269) 12.630 10.778 ( 0.267 -3.737 5.753) 6.865 10.845 ( 0.376 -0.914 9.876) 9.925 10.989 ( 0.267 -2.563 -2.788) 3.796 11.155 ( 4.181 5.241 -4.206) 7.915 11.358 ( -2.208 -3.939 9.365) 10.397 11.577 ( -1.901 -7.239 0.732) 7.520 11.821 ( -0.170 0.103 10.311) 10.313 11.908 ( 0.829 -2.045 6.133) 6.518 12.081 ( 1.947 0.320 11.010) 11.185 12.352 ( 2.428 -3.161 -15.130) 15.647 12.478 ( -6.084 -2.815 -9.569) 11.684 13.295 ( 4.448 3.615 -30.615) 31.147 14.704 ( -1.486 2.462 18.018) 18.246 15.019 ( 0.160 -1.753 17.938) 18.025 15.214 ( 1.862 8.042 -7.220) 10.967 15.510 ( -2.446 -1.126 -4.959) 5.643 16.505 ( 1.188 -1.542 1.313) 2.348 16.588 ( 4.000 1.382 -1.997) 4.680 16.702 ( -3.250 2.500 1.015) 4.224 16.832 ( 0.167 2.937 -4.652) 5.504 18.380 ( -0.230 0.099 1.286) 1.310 18.439 ( -0.171 1.444 -1.542) 2.119 18.971 ( 0.389 2.374 4.325) 4.949 19.083 ( 4.245 -0.963 -1.280) 4.538 19.236 ( -4.069 -0.805 1.789) 4.517 19.347 ( -1.097 -9.134 -3.281) 9.767 19.719 ( -0.785 -1.848 0.547) 2.081 19.739 ( -0.952 -2.370 -0.464) 2.596 20.653 ( 0.228 0.828 -0.169) 0.875 20.722 ( -0.300 1.539 -2.785) 3.196 21.134 ( 0.406 0.549 6.726) 6.761 21.355 ( 0.850 1.484 -3.702) 4.078 24.396 ( -0.003 -0.228 0.209) 0.309 24.404 ( 0.011 0.428 -0.177) 0.463 25.406 ( 2.287 -0.187 10.758) 11.000 25.512 ( -0.928 1.669 10.367) 10.541 25.860 ( 1.611 -1.713 -8.989) 9.292 25.922 ( -2.785 3.129 -8.375) 9.364 26.936 ( 0.622 2.320 5.553) 6.050 27.178 ( -0.626 -2.551 6.189) 6.723 27.320 ( -0.099 -5.612 -14.642) 15.681 27.564 ( -0.260 3.730 -12.761) 13.297 29.480 ( 0.756 1.789 1.031) 2.199 29.597 ( 0.924 2.281 4.591) 5.209 29.655 ( 1.547 4.795 -8.762) 10.107 29.916 ( 0.815 2.559 -11.104) 11.424 30.139 ( -1.819 -3.152 3.251) 4.880 30.386 ( -1.648 -3.860 -5.684) 7.065 31.379 ( 2.104 7.686 7.048) 10.638 31.450 ( 1.464 2.889 5.397) 6.294 31.757 ( -3.267 8.765 25.856) 27.496 32.084 ( 3.789 -15.305 27.371) 31.587 32.573 ( -6.878 16.086 -14.486) 22.714 32.988 ( 1.914 -30.089 -16.211) 34.231 ======================= Grid point 204 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 0.000 21.282 14.056) 25.504 3.323 ( 0.000 27.307 13.028) 30.255 3.383 ( 0.000 5.871 -3.486) 6.828 3.884 ( -0.000 -16.859 4.658) 17.491 3.970 ( 0.000 12.387 -18.284) 22.085 4.155 ( -0.000 -12.194 -5.632) 13.432 4.450 ( -0.000 -2.962 15.378) 15.661 4.485 ( -0.000 -2.511 7.698) 8.097 4.543 ( -0.000 -8.477 12.857) 15.400 4.905 ( -0.000 -9.260 -9.254) 13.092 4.942 ( -0.000 -4.436 -15.592) 16.211 5.111 ( 0.000 3.890 -13.519) 14.068 5.578 ( 0.000 17.671 18.135) 25.321 5.624 ( 0.000 4.114 3.957) 5.708 5.805 ( 0.000 3.633 -6.048) 7.056 5.839 ( 0.000 0.971 1.524) 1.807 6.045 ( 0.000 0.676 0.085) 0.681 6.104 ( -0.000 -2.515 11.214) 11.493 6.188 ( -0.000 -2.566 -4.756) 5.404 6.812 ( 0.000 4.669 -17.003) 17.632 7.189 ( 0.000 4.170 11.974) 12.679 7.360 ( 0.000 2.322 4.097) 4.710 7.541 ( -0.000 -2.204 2.435) 3.284 7.564 ( 0.000 0.886 6.114) 6.178 7.785 ( 0.000 5.511 -13.955) 15.004 7.843 ( -0.000 -5.709 -9.428) 11.022 7.883 ( 0.000 7.533 11.712) 13.925 8.141 ( -0.000 -3.122 18.178) 18.445 8.251 ( -0.000 -4.238 20.956) 21.380 8.547 ( 0.000 4.236 -5.389) 6.855 8.655 ( 0.000 3.830 0.161) 3.833 8.761 ( 0.000 6.016 -22.557) 23.346 8.948 ( 0.000 6.390 -15.642) 16.897 9.207 ( -0.000 -8.328 -13.440) 15.811 9.947 ( -0.000 -13.452 0.016) 13.452 10.154 ( -0.000 -6.912 -9.579) 11.813 10.889 ( -0.000 -7.656 6.135) 9.811 10.978 ( -0.000 -13.772 8.047) 15.950 11.078 ( -0.000 -7.074 -2.853) 7.628 11.148 ( -0.000 -2.770 -1.769) 3.286 11.422 ( -0.000 -4.393 12.089) 12.862 11.695 ( -0.000 -6.434 1.102) 6.528 11.807 ( 0.000 0.381 13.581) 13.587 11.930 ( -0.000 -0.051 4.328) 4.328 12.092 ( -0.000 -0.379 5.726) 5.738 12.462 ( -0.000 -4.873 -20.453) 21.026 12.465 ( -0.000 -1.751 -3.401) 3.825 13.239 ( 0.000 6.008 -28.791) 29.411 14.641 ( 0.000 3.678 15.450) 15.882 15.009 ( 0.000 2.734 18.417) 18.619 15.065 ( 0.000 9.742 -6.634) 11.786 15.470 ( 0.000 4.583 -4.275) 6.267 16.520 ( 0.000 0.758 0.331) 0.827 16.576 ( 0.000 3.678 -2.333) 4.355 16.626 ( 0.000 2.740 2.634) 3.800 16.776 ( 0.000 3.374 -4.609) 5.712 18.356 ( 0.000 2.554 1.127) 2.791 18.407 ( 0.000 1.941 -1.329) 2.352 18.968 ( -0.000 -1.551 6.638) 6.817 19.170 ( -0.000 -6.325 -3.406) 7.183 19.231 ( -0.000 -1.132 6.252) 6.353 19.507 ( -0.000 -9.419 -7.007) 11.739 19.769 ( -0.000 -4.253 0.486) 4.281 19.793 ( -0.000 -4.188 -0.671) 4.241 20.661 ( -0.000 -1.758 -1.058) 2.051 20.706 ( -0.000 -0.100 -2.287) 2.289 21.086 ( 0.000 4.949 6.097) 7.853 21.310 ( 0.000 4.274 -3.715) 5.663 24.393 ( 0.000 0.443 0.292) 0.531 24.404 ( -0.000 -0.265 -0.254) 0.367 25.403 ( 0.000 2.434 11.669) 11.920 25.462 ( 0.000 2.584 8.513) 8.897 25.762 ( 0.000 8.391 -5.814) 10.208 25.922 ( 0.000 0.680 -13.059) 13.076 26.943 ( -0.000 -2.655 6.256) 6.796 27.210 ( -0.000 -1.474 5.038) 5.249 27.405 ( -0.000 -3.407 -19.764) 20.055 27.499 ( 0.000 3.728 -8.961) 9.705 29.450 ( 0.000 1.674 -0.285) 1.698 29.565 ( 0.000 1.760 5.143) 5.436 29.577 ( 0.000 5.033 -7.995) 9.447 29.874 ( 0.000 2.077 -10.634) 10.835 30.170 ( -0.000 -0.980 3.445) 3.582 30.424 ( -0.000 -1.099 -5.645) 5.751 31.231 ( 0.000 9.773 7.779) 12.491 31.368 ( 0.000 6.836 1.253) 6.950 31.610 ( 0.000 6.726 20.063) 21.161 32.253 ( 0.000 16.148 -12.287) 20.291 32.497 ( -0.000 -29.916 40.915) 50.685 33.604 ( -0.000 -38.594 -17.722) 42.469 ======================= Grid point 209 (70/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 26.337 0.000 19.382) 32.700 2.991 ( 29.560 0.000 9.771) 31.133 3.501 ( 11.365 0.000 -4.590) 12.257 3.590 ( 11.278 0.000 -15.604) 19.253 4.206 ( -5.616 -0.000 18.856) 19.674 4.409 ( -4.423 -0.000 7.362) 8.589 4.481 ( -22.292 -0.000 0.995) 22.315 4.485 ( -4.804 -0.000 14.002) 14.803 4.591 ( -6.956 -0.000 -8.128) 10.698 4.826 ( -10.772 -0.000 4.450) 11.655 5.095 ( -0.193 -0.000 -9.034) 9.036 5.113 ( -8.436 -0.000 -9.633) 12.805 5.178 ( 22.229 0.000 18.306) 28.797 5.629 ( -0.752 -0.000 3.348) 3.432 5.819 ( 4.027 0.000 -4.094) 5.742 5.847 ( -2.542 -0.000 5.320) 5.896 6.088 ( 4.631 0.000 -5.289) 7.030 6.184 ( 1.736 0.000 -2.012) 2.657 6.462 ( 1.233 0.000 -20.155) 20.193 6.534 ( 4.889 0.000 -14.735) 15.525 6.739 ( -1.607 -0.000 16.263) 16.342 7.244 ( 5.775 0.000 10.366) 11.866 7.387 ( -3.533 -0.000 -7.161) 7.985 7.459 ( -9.313 -0.000 0.120) 9.313 7.520 ( -0.536 -0.000 -13.935) 13.945 7.838 ( 9.529 0.000 -9.845) 13.702 8.036 ( 3.080 0.000 16.193) 16.484 8.217 ( -1.634 -0.000 22.662) 22.721 8.468 ( -3.560 -0.000 -4.748) 5.934 8.525 ( 5.011 0.000 -6.714) 8.378 8.726 ( 2.161 0.000 -5.509) 5.918 8.761 ( 4.002 0.000 -0.730) 4.068 9.052 ( 4.392 0.000 -9.435) 10.407 9.170 ( 4.561 0.000 -21.918) 22.387 10.210 ( -17.064 -0.000 -0.107) 17.064 10.246 ( -25.667 -0.000 1.626) 25.718 11.044 ( -9.807 -0.000 1.386) 9.905 11.067 ( -10.056 -0.000 9.539) 13.861 11.215 ( -1.311 -0.000 -3.265) 3.518 11.261 ( -15.636 -0.000 -0.221) 15.638 11.454 ( -1.616 -0.000 13.541) 13.637 11.688 ( 3.983 0.000 11.450) 12.123 11.799 ( -0.922 -0.000 -6.862) 6.923 11.805 ( -2.149 -0.000 18.168) 18.295 12.205 ( -0.439 -0.000 -12.522) 12.529 12.300 ( -0.700 -0.000 18.415) 18.428 12.586 ( 1.433 0.000 -19.745) 19.797 13.372 ( 9.342 0.000 -33.190) 34.480 14.430 ( 4.611 0.000 20.057) 20.580 14.797 ( -1.021 -0.000 20.849) 20.874 15.134 ( 5.701 0.000 -14.823) 15.882 15.371 ( 13.138 0.000 -8.829) 15.829 16.305 ( -0.292 -0.000 1.125) 1.162 16.400 ( 1.683 0.000 -2.762) 3.234 16.842 ( 2.852 0.000 0.069) 2.853 16.879 ( 4.564 0.000 -1.876) 4.934 18.299 ( 2.631 0.000 3.328) 4.243 18.438 ( 3.161 0.000 -3.316) 4.582 18.951 ( -2.606 -0.000 13.649) 13.895 19.125 ( -2.615 -0.000 9.951) 10.289 19.304 ( -7.781 -0.000 -5.584) 9.577 19.649 ( -5.548 -0.000 -13.950) 15.013 19.824 ( -4.745 -0.000 -0.060) 4.746 19.831 ( -4.888 -0.000 -0.500) 4.914 20.756 ( -0.579 -0.000 1.039) 1.190 20.837 ( 1.964 0.000 4.961) 5.336 20.857 ( 0.321 0.000 3.033) 3.050 21.244 ( 5.649 0.000 -7.920) 9.729 24.399 ( 0.007 0.000 0.154) 0.155 24.405 ( 0.056 0.000 -0.143) 0.154 25.105 ( 4.459 0.000 4.557) 6.376 25.248 ( 4.720 0.000 -2.487) 5.335 25.587 ( 1.268 0.000 12.760) 12.823 26.142 ( 3.550 0.000 -13.828) 14.277 27.047 ( -2.378 -0.000 9.286) 9.586 27.173 ( 2.153 0.000 0.157) 2.159 27.246 ( -0.577 -0.000 0.121) 0.590 27.771 ( 1.590 0.000 -27.011) 27.058 29.325 ( -0.087 -0.000 6.242) 6.242 29.616 ( -3.667 -0.000 -7.928) 8.735 29.653 ( 4.487 0.000 5.906) 7.417 29.906 ( 9.251 0.000 -6.129) 11.097 30.270 ( -0.385 -0.000 -2.252) 2.285 30.350 ( 3.870 0.000 -5.622) 6.825 31.196 ( 6.064 0.000 4.793) 7.729 31.236 ( 7.771 0.000 3.209) 8.407 31.619 ( 5.551 0.000 8.031) 9.763 31.905 ( 14.266 0.000 -5.334) 15.230 32.847 ( -37.222 -0.000 45.379) 58.692 34.018 ( -38.047 -0.000 -18.306) 42.221 ======================= Grid point 210 (71/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 23.100 0.615 11.540) 25.829 3.319 ( 21.274 -7.476 7.445) 23.747 3.582 ( 10.662 3.037 -5.247) 12.265 3.727 ( 8.312 -2.517 -3.561) 9.387 4.128 ( -8.315 1.243 11.474) 14.225 4.206 ( -20.027 3.773 3.129) 20.619 4.352 ( -5.434 0.933 2.221) 5.944 4.444 ( -7.733 -1.084 11.025) 13.510 4.534 ( 0.940 3.449 -4.450) 5.708 4.706 ( -4.156 2.416 -0.241) 4.813 5.019 ( -8.586 0.196 -9.949) 13.143 5.127 ( -1.410 -3.396 -8.296) 9.074 5.444 ( 20.902 -3.092 16.664) 26.910 5.649 ( 1.955 -2.440 6.030) 6.792 5.810 ( 3.863 1.945 0.244) 4.332 5.875 ( -2.738 -2.182 0.908) 3.617 6.115 ( 3.813 1.591 -2.362) 4.759 6.192 ( -0.345 -1.466 -3.643) 3.942 6.500 ( -5.620 0.476 -9.679) 11.203 6.545 ( 5.398 -2.650 -10.205) 11.845 6.808 ( 0.990 -7.083 12.771) 14.637 7.293 ( 0.232 -1.887 3.703) 4.163 7.382 ( -0.523 -0.917 -4.092) 4.226 7.411 ( -6.377 -4.537 -3.266) 8.480 7.579 ( -0.034 -6.606 -7.749) 10.183 7.855 ( 5.608 6.234 -7.311) 11.125 8.064 ( 5.057 0.909 13.946) 14.862 8.190 ( -2.164 0.962 24.993) 25.105 8.389 ( -3.491 3.292 -0.301) 4.808 8.557 ( -6.957 -1.499 0.841) 7.167 8.762 ( 4.573 -1.140 -9.706) 10.789 8.832 ( 2.598 -3.406 -6.142) 7.488 9.044 ( 4.399 3.914 -12.831) 14.118 9.211 ( 0.890 0.807 -19.953) 19.990 9.970 ( -11.449 5.717 0.003) 12.797 10.079 ( -11.735 0.688 -5.179) 12.845 10.903 ( -9.013 3.149 3.468) 10.158 11.070 ( -6.646 -7.195 3.536) 10.414 11.124 ( -8.648 0.673 -0.490) 8.688 11.206 ( -1.041 0.028 -2.432) 2.646 11.381 ( -0.666 7.537 15.394) 17.153 11.710 ( -0.240 5.640 8.921) 10.557 11.746 ( 2.417 -0.160 8.177) 8.528 11.798 ( -0.856 -0.127 4.655) 4.735 12.200 ( -0.056 1.149 -5.774) 5.888 12.257 ( -1.109 2.395 11.819) 12.110 12.574 ( 0.890 2.713 -17.556) 17.786 13.416 ( 6.547 3.564 -33.675) 34.490 14.556 ( 3.326 -9.187 19.782) 22.064 14.776 ( -0.687 0.750 22.196) 22.219 15.235 ( 3.342 -5.067 -12.231) 13.654 15.466 ( 8.021 1.544 -11.448) 14.063 16.331 ( -0.112 -3.115 1.280) 3.369 16.441 ( 1.122 -3.074 -3.415) 4.730 16.848 ( 1.787 2.005 0.519) 2.736 16.912 ( 3.439 0.775 -2.679) 4.428 18.327 ( 1.593 -0.654 3.185) 3.621 18.463 ( 1.940 0.154 -3.322) 3.850 18.954 ( -1.654 -3.101 9.421) 10.055 19.091 ( -1.758 1.257 9.789) 10.025 19.235 ( -5.030 0.387 -5.039) 7.131 19.530 ( -4.390 7.399 -10.371) 13.475 19.770 ( -3.617 1.292 0.043) 3.842 19.777 ( -3.513 1.301 -0.276) 3.756 20.745 ( 0.644 1.115 1.830) 2.238 20.832 ( -0.108 1.615 -2.794) 3.229 20.919 ( 1.890 -5.002 10.361) 11.660 21.299 ( 3.802 -0.898 -7.763) 8.690 24.394 ( -0.007 0.330 0.399) 0.518 24.411 ( 0.061 -0.317 -0.379) 0.498 25.217 ( 3.667 -7.611 2.905) 8.934 25.301 ( 3.826 -1.720 -0.954) 4.302 25.604 ( -0.792 -1.074 13.452) 13.518 26.151 ( 1.783 1.946 -12.088) 12.373 27.039 ( -2.455 -1.965 10.304) 10.773 27.171 ( 1.539 2.542 0.268) 2.984 27.228 ( -0.207 1.461 -1.130) 1.858 27.754 ( -0.301 2.392 -26.002) 26.113 29.362 ( -0.184 -4.091 5.673) 6.997 29.627 ( -2.148 -4.525 -7.026) 8.629 29.684 ( 3.117 0.891 5.827) 6.668 29.966 ( 8.461 2.976 -6.633) 11.155 30.225 ( -2.293 3.564 -1.786) 4.599 30.358 ( 2.408 2.660 -7.207) 8.051 31.278 ( 4.298 -3.410 7.354) 9.175 31.349 ( 5.951 -4.597 3.956) 8.497 31.711 ( 7.275 -3.152 9.038) 12.022 32.060 ( 14.204 -1.106 -6.815) 15.793 32.460 ( -26.151 6.990 39.637) 47.998 33.587 ( -30.979 9.070 -19.281) 37.600 ======================= Grid point 211 (72/100) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 11.709 0.260 6.717) 13.501 3.578 ( 3.339 1.009 -6.414) 7.301 3.637 ( 11.249 -5.285 7.941) 14.749 3.787 ( 1.041 -0.576 4.942) 5.083 3.999 ( -12.764 2.444 0.598) 13.009 4.057 ( 1.158 1.795 4.788) 5.243 4.290 ( -0.950 1.346 3.718) 4.067 4.396 ( -7.318 -2.528 6.376) 10.030 4.449 ( 0.614 6.688 5.181) 8.483 4.715 ( 3.707 -2.351 -13.494) 14.190 4.966 ( -5.470 -2.551 -8.130) 10.125 5.148 ( -1.255 0.148 -10.838) 10.911 5.589 ( 3.294 -1.438 13.727) 14.190 5.745 ( 5.330 0.662 3.237) 6.271 5.831 ( 4.160 -0.984 1.613) 4.569 5.889 ( -1.141 -2.717 1.622) 3.364 6.088 ( 0.410 3.558 -2.762) 4.523 6.278 ( 3.448 -4.286 -4.701) 7.236 6.413 ( -9.270 -2.136 -2.018) 9.724 6.657 ( 7.586 -1.350 3.335) 8.396 6.958 ( 1.013 -8.229 14.127) 16.380 7.320 ( -3.114 -3.815 0.418) 4.943 7.387 ( -1.742 -2.232 -2.090) 3.519 7.495 ( 0.972 -5.944 -6.136) 8.598 7.677 ( -2.221 -3.656 0.189) 4.282 7.814 ( 4.100 1.084 -14.017) 14.644 8.086 ( 5.969 3.602 12.371) 14.200 8.147 ( -2.592 1.568 23.352) 23.548 8.297 ( -0.614 5.729 5.834) 8.200 8.450 ( -11.423 0.046 10.051) 15.215 8.831 ( 2.860 -1.809 -12.805) 13.244 8.905 ( 0.253 -3.064 -10.434) 10.878 9.041 ( 3.496 1.014 -16.532) 16.928 9.142 ( -2.206 5.707 -16.324) 17.433 9.830 ( -2.747 3.185 -2.420) 4.853 10.005 ( -3.607 -1.100 -8.960) 9.721 10.781 ( -4.775 2.611 3.978) 6.742 11.015 ( -3.532 2.443 -3.929) 5.821 11.167 ( 1.823 11.201 13.676) 17.771 11.205 ( -2.180 -7.807 2.865) 8.597 11.237 ( -1.082 -1.825 3.085) 3.744 11.547 ( -1.666 10.672 0.811) 10.832 11.793 ( 1.009 -1.589 7.439) 7.673 11.814 ( 0.569 -2.479 8.521) 8.893 12.156 ( 1.659 3.949 15.729) 16.302 12.239 ( -2.353 -2.070 -9.913) 10.396 12.518 ( -0.084 3.910 -15.239) 15.733 13.400 ( 3.440 3.611 -33.119) 33.492 14.754 ( 0.841 -1.640 21.311) 21.391 14.774 ( 0.285 -9.160 20.200) 22.182 15.345 ( 2.371 -4.290 -8.733) 10.015 15.467 ( 1.294 3.762 -11.903) 12.550 16.397 ( 0.205 -4.169 1.573) 4.461 16.518 ( 0.898 -4.365 -3.953) 5.957 16.812 ( 0.576 3.408 1.345) 3.709 16.916 ( 1.709 1.782 -3.714) 4.460 18.351 ( 0.449 -0.983 2.608) 2.823 18.469 ( 0.615 0.574 -3.017) 3.132 19.026 ( 0.967 -5.012 5.691) 7.645 19.056 ( -1.205 0.380 6.277) 6.403 19.197 ( -1.618 0.101 -3.476) 3.836 19.340 ( -3.408 9.548 -5.488) 11.528 19.720 ( -1.842 1.104 0.208) 2.158 19.725 ( -1.714 1.437 -0.097) 2.239 20.725 ( 0.496 2.125 1.129) 2.457 20.795 ( -0.084 2.403 -1.993) 3.124 21.028 ( 0.926 -5.526 8.704) 10.352 21.346 ( 1.736 -1.255 -6.481) 6.826 24.391 ( -0.001 0.073 0.590) 0.595 24.414 ( 0.039 -0.025 -0.548) 0.550 25.341 ( 1.980 -2.820 3.214) 4.712 25.451 ( 4.743 -10.421 0.094) 11.450 25.599 ( -4.170 -1.611 11.389) 12.235 26.112 ( 0.685 4.099 -10.460) 11.255 27.066 ( -1.288 -3.208 9.428) 10.042 27.113 ( 0.566 5.322 1.087) 5.461 27.208 ( -0.132 0.106 -3.435) 3.439 27.696 ( -0.389 3.648 -22.322) 22.621 29.441 ( -0.031 -4.517 5.464) 7.090 29.679 ( 1.694 1.953 5.754) 6.308 29.706 ( -0.612 -4.509 -7.142) 8.469 29.986 ( 7.186 3.133 -6.859) 10.416 30.123 ( -4.783 3.594 -2.237) 6.387 30.322 ( 0.318 2.320 -8.682) 8.992 31.386 ( 2.539 -4.863 12.441) 13.597 31.470 ( 3.574 -2.730 6.273) 7.718 31.846 ( 7.344 -3.002 8.667) 11.750 32.111 ( -10.507 8.503 29.983) 32.889 32.249 ( 4.839 -7.673 -6.485) 11.151 33.149 ( -17.189 13.254 -18.900) 28.781 ======================= Grid point 212 (73/100) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.000 0.474 5.878) 5.897 3.530 ( 0.000 3.305 -2.287) 4.019 3.800 ( 0.000 1.533 2.827) 3.216 3.828 ( -0.000 -0.642 2.490) 2.571 3.899 ( -0.000 -7.734 2.712) 8.196 3.986 ( 0.000 9.133 1.154) 9.206 4.293 ( 0.000 0.059 11.922) 11.922 4.396 ( -0.000 -3.191 2.762) 4.220 4.404 ( -0.000 -1.945 6.185) 6.484 4.792 ( -0.000 -3.697 -17.402) 17.790 4.976 ( 0.000 1.483 -9.621) 9.735 5.102 ( 0.000 1.992 -11.508) 11.679 5.632 ( -0.000 -2.333 11.836) 12.064 5.767 ( -0.000 -1.837 5.816) 6.099 5.842 ( 0.000 0.961 -3.226) 3.366 5.912 ( 0.000 1.946 2.614) 3.259 6.061 ( -0.000 -1.480 -4.362) 4.607 6.248 ( 0.000 6.274 -12.368) 13.868 6.397 ( 0.000 6.194 14.220) 15.510 6.774 ( -0.000 -7.916 1.775) 8.113 7.089 ( -0.000 -6.411 18.457) 19.539 7.364 ( -0.000 -2.693 1.290) 2.986 7.428 ( -0.000 -3.219 -1.883) 3.729 7.576 ( -0.000 -2.061 -2.626) 3.338 7.691 ( -0.000 -1.608 -8.211) 8.367 7.884 ( -0.000 -4.065 -13.623) 14.217 8.059 ( 0.000 3.051 12.802) 13.160 8.090 ( 0.000 1.102 26.366) 26.389 8.149 ( 0.000 8.621 12.073) 14.835 8.459 ( -0.000 -6.335 10.984) 12.680 8.864 ( -0.000 -0.111 -16.086) 16.087 8.935 ( 0.000 1.505 -8.671) 8.800 9.007 ( 0.000 4.983 -15.730) 16.500 9.063 ( 0.000 0.069 -20.165) 20.165 9.789 ( 0.000 0.323 -2.065) 2.090 10.030 ( -0.000 -3.061 -11.723) 12.117 10.736 ( -0.000 -0.313 4.829) 4.839 10.946 ( 0.000 11.255 15.259) 18.961 10.970 ( 0.000 0.689 -4.076) 4.134 11.272 ( -0.000 -3.992 5.691) 6.951 11.336 ( 0.000 11.359 -3.756) 11.964 11.400 ( -0.000 -10.691 -0.310) 10.696 11.819 ( -0.000 -0.845 8.004) 8.048 11.869 ( -0.000 -2.912 6.843) 7.436 12.112 ( 0.000 2.190 18.784) 18.911 12.282 ( -0.000 -4.411 -14.638) 15.289 12.458 ( 0.000 2.422 -12.086) 12.326 13.365 ( 0.000 2.621 -32.102) 32.208 14.734 ( 0.000 1.728 21.248) 21.318 14.946 ( -0.000 -7.391 18.264) 19.703 15.362 ( 0.000 7.365 -10.760) 13.039 15.442 ( -0.000 -4.490 -5.802) 7.336 16.466 ( -0.000 -3.461 1.780) 3.892 16.590 ( -0.000 -2.979 -4.076) 5.048 16.748 ( 0.000 4.070 2.110) 4.585 16.885 ( 0.000 2.761 -4.488) 5.270 18.370 ( -0.000 -0.973 1.912) 2.145 18.458 ( 0.000 0.918 -2.355) 2.527 19.018 ( 0.000 2.202 4.691) 5.182 19.162 ( 0.000 7.123 -1.827) 7.354 19.167 ( -0.000 -7.447 0.400) 7.458 19.206 ( -0.000 -2.473 -1.389) 2.837 19.699 ( 0.000 0.156 0.314) 0.350 19.708 ( -0.000 -0.555 -0.079) 0.561 20.685 ( 0.000 2.488 0.390) 2.518 20.754 ( 0.000 2.257 -2.234) 3.175 21.112 ( -0.000 -3.358 7.542) 8.256 21.369 ( -0.000 -0.328 -4.871) 4.882 24.392 ( -0.000 -0.200 0.500) 0.538 24.412 ( 0.000 0.338 -0.455) 0.567 25.394 ( -0.000 -2.205 7.590) 7.903 25.544 ( 0.000 2.019 13.511) 13.661 25.708 ( -0.000 -12.366 -7.506) 14.466 26.025 ( 0.000 6.324 -9.128) 11.105 27.013 ( 0.000 5.839 3.151) 6.635 27.120 ( -0.000 -3.557 7.737) 8.515 27.235 ( -0.000 -3.505 -8.078) 8.806 27.629 ( 0.000 3.915 -17.535) 17.967 29.493 ( -0.000 -1.139 3.849) 4.013 29.645 ( 0.000 2.637 5.546) 6.141 29.731 ( 0.000 2.047 -8.842) 9.075 29.980 ( 0.000 3.574 -12.026) 12.546 30.068 ( -0.000 -2.356 3.023) 3.833 30.317 ( -0.000 -2.204 -7.307) 7.632 31.469 ( -0.000 -2.281 13.159) 13.355 31.487 ( 0.000 2.893 6.599) 7.206 31.892 ( 0.000 9.064 29.958) 31.299 31.939 ( -0.000 -3.953 12.863) 13.457 32.535 ( -0.000 -21.854 -13.043) 25.451 32.817 ( 0.000 15.646 -17.325) 23.345 ======================= Grid point 220 (74/100) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 22.206 0.000 6.460) 23.127 3.397 ( 9.813 0.000 0.577) 9.830 3.753 ( 5.006 0.000 -4.837) 6.962 3.778 ( 15.091 0.000 5.002) 15.899 4.022 ( -22.251 -0.000 9.085) 24.034 4.045 ( -7.659 -0.000 18.419) 19.948 4.316 ( -3.386 -0.000 0.324) 3.402 4.348 ( -7.819 -0.000 10.307) 12.938 4.617 ( 9.166 0.000 -11.005) 14.322 4.699 ( -2.339 -0.000 8.561) 8.874 4.883 ( -13.871 -0.000 -9.937) 17.063 5.099 ( 0.116 0.000 -8.372) 8.373 5.630 ( 0.369 0.000 8.988) 8.996 5.646 ( 19.626 0.000 12.581) 23.312 5.800 ( -1.639 -0.000 4.993) 5.255 5.868 ( -0.167 -0.000 1.580) 1.589 6.170 ( 2.643 0.000 0.995) 2.825 6.205 ( 0.890 0.000 -9.601) 9.643 6.466 ( -0.279 -0.000 -20.183) 20.185 6.470 ( -7.841 -0.000 -13.718) 15.800 6.793 ( 4.256 0.000 14.589) 15.197 7.234 ( -4.770 -0.000 -2.808) 5.535 7.318 ( -2.271 -0.000 -11.104) 11.334 7.409 ( 2.556 0.000 14.102) 14.332 7.512 ( -0.227 -0.000 -12.164) 12.166 7.980 ( 4.204 0.000 -10.069) 10.911 8.082 ( 1.705 0.000 20.096) 20.168 8.191 ( -0.746 -0.000 27.400) 27.410 8.370 ( -4.079 -0.000 1.359) 4.299 8.488 ( -5.164 -0.000 -1.419) 5.355 8.779 ( 1.960 0.000 -10.548) 10.729 8.840 ( 3.156 0.000 -4.832) 5.771 9.117 ( 1.926 0.000 -13.425) 13.563 9.238 ( 1.950 0.000 -22.879) 22.962 9.919 ( -7.789 -0.000 -0.142) 7.791 9.999 ( -4.908 -0.000 -6.961) 8.518 10.897 ( -4.248 -0.000 5.351) 6.832 10.902 ( -4.891 -0.000 5.913) 7.673 11.058 ( -5.073 -0.000 -0.035) 5.073 11.203 ( -0.338 -0.000 -6.750) 6.758 11.441 ( -0.102 -0.000 13.566) 13.566 11.752 ( 2.264 0.000 12.079) 12.289 11.782 ( -0.783 -0.000 19.318) 19.334 11.786 ( -0.340 -0.000 -6.925) 6.934 12.198 ( -0.225 -0.000 -12.165) 12.167 12.284 ( -0.603 -0.000 23.884) 23.892 12.609 ( 0.678 0.000 -19.856) 19.867 13.500 ( 3.379 0.000 -34.985) 35.148 14.498 ( 1.955 0.000 20.769) 20.861 14.774 ( -0.861 -0.000 24.853) 24.868 15.217 ( 2.350 0.000 -14.950) 15.133 15.549 ( 4.683 0.000 -14.157) 14.912 16.300 ( -0.142 -0.000 1.197) 1.205 16.419 ( 0.376 0.000 -3.836) 3.854 16.880 ( 1.011 0.000 0.577) 1.164 16.946 ( 1.917 0.000 -2.686) 3.300 18.336 ( 0.959 0.000 3.466) 3.596 18.481 ( 1.135 0.000 -3.529) 3.707 18.908 ( -1.328 -0.000 7.850) 7.962 19.090 ( -0.932 -0.000 12.422) 12.457 19.198 ( -2.789 -0.000 -6.388) 6.970 19.564 ( -2.487 -0.000 -10.768) 11.052 19.755 ( -1.913 -0.000 -0.022) 1.913 19.760 ( -1.995 -0.000 -0.248) 2.010 20.763 ( 0.604 0.000 1.544) 1.658 20.846 ( 0.164 0.000 -2.247) 2.253 20.887 ( 1.075 0.000 12.671) 12.716 21.320 ( 1.976 0.000 -8.544) 8.770 24.399 ( 0.001 0.000 0.166) 0.166 24.406 ( 0.020 0.000 -0.164) 0.165 25.173 ( 2.033 0.000 4.334) 4.787 25.317 ( 1.986 0.000 -2.634) 3.299 25.597 ( 0.014 0.000 15.789) 15.789 26.179 ( 0.715 0.000 -11.895) 11.917 27.000 ( -1.608 -0.000 11.779) 11.888 27.207 ( 1.084 0.000 0.160) 1.095 27.242 ( 0.038 0.000 -1.059) 1.060 27.770 ( -0.633 -0.000 -27.509) 27.517 29.323 ( -0.048 -0.000 5.049) 5.050 29.561 ( -1.578 -0.000 -7.147) 7.319 29.720 ( 1.921 0.000 6.639) 6.911 30.060 ( 5.268 0.000 -10.423) 11.678 30.248 ( -1.521 -0.000 2.300) 2.757 30.404 ( 1.490 0.000 -6.006) 6.188 31.277 ( 2.055 0.000 5.130) 5.526 31.345 ( 2.870 0.000 2.125) 3.571 31.760 ( 7.782 0.000 13.248) 15.364 32.200 ( 12.455 0.000 -7.615) 14.599 32.290 ( -18.245 -0.000 37.205) 41.438 33.394 ( -21.224 -0.000 -19.908) 29.100 ======================= Grid point 221 (75/100) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 0.000 2.772 1.714) 3.259 3.565 ( -0.000 -3.496 -2.063) 4.059 3.744 ( 0.000 5.184 0.550) 5.213 3.798 ( 0.000 3.643 17.846) 18.214 3.904 ( -0.000 -2.440 -4.096) 4.768 4.054 ( -0.000 -3.532 18.644) 18.976 4.293 ( 0.000 0.368 0.276) 0.460 4.318 ( -0.000 -1.382 5.950) 6.108 4.587 ( 0.000 7.730 6.253) 9.942 4.715 ( -0.000 -0.785 -14.493) 14.514 4.853 ( -0.000 -5.405 -5.317) 7.581 5.117 ( -0.000 -1.982 -8.086) 8.325 5.613 ( 0.000 1.416 12.548) 12.627 5.802 ( -0.000 -0.741 3.268) 3.350 5.806 ( -0.000 -4.215 7.509) 8.611 5.852 ( 0.000 0.781 2.717) 2.827 6.154 ( 0.000 3.169 0.531) 3.213 6.187 ( -0.000 -1.737 -3.055) 3.514 6.402 ( 0.000 2.388 -16.429) 16.601 6.592 ( -0.000 -9.956 -14.047) 17.218 6.850 ( -0.000 -4.246 15.034) 15.622 7.224 ( -0.000 -2.807 -3.265) 4.306 7.382 ( -0.000 -7.046 -9.981) 12.217 7.386 ( 0.000 2.147 5.845) 6.227 7.580 ( -0.000 -5.812 -2.624) 6.377 7.908 ( 0.000 6.721 -6.274) 9.194 8.148 ( -0.000 -2.349 9.559) 9.843 8.168 ( 0.000 2.138 29.247) 29.325 8.345 ( -0.000 -0.136 4.609) 4.611 8.420 ( 0.000 4.590 3.301) 5.654 8.809 ( -0.000 -2.021 -12.328) 12.493 8.872 ( -0.000 -1.631 -6.920) 7.109 9.094 ( 0.000 2.899 -14.578) 14.864 9.216 ( 0.000 3.566 -20.912) 21.214 9.862 ( 0.000 2.143 -1.912) 2.872 9.973 ( -0.000 -0.082 -7.536) 7.537 10.806 ( 0.000 3.276 4.725) 5.750 10.999 ( -0.000 -6.939 1.187) 7.040 11.034 ( -0.000 -1.881 2.368) 3.024 11.203 ( -0.000 -0.414 -4.986) 5.003 11.377 ( 0.000 7.830 15.150) 17.053 11.704 ( 0.000 7.243 6.985) 10.062 11.780 ( -0.000 -1.617 9.197) 9.339 11.786 ( 0.000 0.154 5.620) 5.622 12.202 ( -0.000 -0.665 -12.176) 12.194 12.241 ( 0.000 4.104 22.839) 23.204 12.584 ( 0.000 3.100 -18.478) 18.736 13.482 ( 0.000 3.558 -34.611) 34.793 14.591 ( -0.000 -8.981 20.362) 22.255 14.766 ( 0.000 0.357 24.882) 24.885 15.270 ( -0.000 -4.336 -13.134) 13.831 15.546 ( 0.000 3.005 -14.312) 14.624 16.329 ( -0.000 -3.297 1.285) 3.539 16.451 ( -0.000 -3.325 -4.005) 5.205 16.866 ( 0.000 2.191 0.948) 2.388 16.948 ( 0.000 0.857 -3.111) 3.227 18.343 ( -0.000 -0.337 3.230) 3.248 18.482 ( 0.000 0.478 -3.443) 3.476 18.936 ( -0.000 -3.972 6.079) 7.262 19.074 ( 0.000 1.180 11.456) 11.517 19.185 ( -0.000 -0.151 -5.939) 5.940 19.483 ( 0.000 7.532 -8.456) 11.325 19.732 ( 0.000 1.281 0.141) 1.289 19.741 ( 0.000 1.136 -0.256) 1.165 20.755 ( 0.000 1.143 2.004) 2.307 20.833 ( 0.000 1.747 -2.106) 2.737 20.939 ( -0.000 -4.866 11.089) 12.110 21.337 ( -0.000 -0.779 -8.045) 8.083 24.394 ( 0.000 0.333 0.416) 0.533 24.411 ( -0.000 -0.333 -0.398) 0.519 25.257 ( -0.000 -7.745 2.518) 8.144 25.344 ( -0.000 -2.373 -1.484) 2.798 25.591 ( 0.000 0.682 15.972) 15.987 26.167 ( 0.000 1.932 -11.323) 11.487 27.011 ( -0.000 -2.086 11.338) 11.529 27.187 ( 0.000 2.834 0.228) 2.843 27.228 ( 0.000 1.581 -1.591) 2.243 27.746 ( 0.000 2.274 -26.066) 26.165 29.360 ( -0.000 -4.024 5.226) 6.596 29.602 ( -0.000 -5.262 -6.919) 8.693 29.718 ( 0.000 1.280 6.599) 6.722 30.075 ( 0.000 1.525 -12.298) 12.392 30.180 ( 0.000 5.813 3.971) 7.040 30.383 ( 0.000 3.219 -7.524) 8.183 31.321 ( -0.000 -3.661 7.757) 8.578 31.411 ( -0.000 -5.144 3.409) 6.171 31.832 ( -0.000 -2.870 11.178) 11.541 32.150 ( 0.000 4.665 35.398) 35.704 32.256 ( 0.000 0.941 -7.925) 7.981 33.223 ( 0.000 6.764 -19.888) 21.006 ======================= Grid point 267 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 0.000 -33.718) 33.718 2.537 ( 0.000 0.000 33.718) 33.718 2.610 ( 0.000 0.000 -35.043) 35.043 2.610 ( 0.000 0.000 35.043) 35.043 4.779 ( 0.000 0.000 -70.371) 70.371 4.779 ( 0.000 0.000 70.371) 70.371 4.820 ( 0.000 0.000 -16.641) 16.641 4.820 ( 0.000 0.000 16.641) 16.641 4.893 ( 0.000 0.000 -20.965) 20.965 4.893 ( 0.000 0.000 20.965) 20.965 5.135 ( 0.000 0.000 -3.796) 3.796 5.135 ( 0.000 0.000 3.796) 3.796 5.392 ( 0.000 0.000 -0.578) 0.578 5.392 ( 0.000 0.000 0.578) 0.578 5.792 ( 0.000 0.000 -3.277) 3.277 5.792 ( 0.000 0.000 3.277) 3.277 6.012 ( 0.000 0.000 -1.709) 1.709 6.012 ( 0.000 0.000 1.709) 1.709 6.137 ( 0.000 0.000 -3.528) 3.528 6.137 ( 0.000 0.000 3.528) 3.528 7.006 ( 0.000 0.000 -3.189) 3.189 7.006 ( 0.000 0.000 3.189) 3.189 7.197 ( 0.000 0.000 -1.928) 1.928 7.197 ( 0.000 0.000 1.928) 1.928 7.292 ( 0.000 0.000 -19.514) 19.514 7.292 ( 0.000 0.000 19.514) 19.514 8.065 ( 0.000 0.000 -14.458) 14.458 8.065 ( 0.000 0.000 14.458) 14.458 8.522 ( 0.000 0.000 -9.752) 9.752 8.522 ( 0.000 0.000 9.752) 9.752 8.620 ( 0.000 0.000 -4.441) 4.441 8.620 ( 0.000 0.000 4.441) 4.441 8.652 ( 0.000 0.000 -11.689) 11.689 8.652 ( 0.000 0.000 11.689) 11.689 11.393 ( 0.000 0.000 -7.939) 7.939 11.393 ( 0.000 0.000 7.939) 7.939 11.652 ( 0.000 0.000 -8.465) 8.465 11.652 ( 0.000 0.000 8.465) 8.465 11.774 ( 0.000 0.000 -2.030) 2.030 11.774 ( 0.000 0.000 2.030) 2.030 11.863 ( 0.000 0.000 -31.315) 31.315 11.863 ( 0.000 0.000 31.315) 31.315 12.096 ( 0.000 0.000 -23.565) 23.565 12.096 ( 0.000 0.000 23.565) 23.565 12.100 ( 0.000 0.000 -16.687) 16.687 12.100 ( 0.000 0.000 16.687) 16.687 12.812 ( 0.000 0.000 -16.893) 16.893 12.812 ( 0.000 0.000 16.893) 16.893 14.528 ( 0.000 0.000 -3.276) 3.276 14.528 ( 0.000 0.000 3.276) 3.276 14.564 ( 0.000 0.000 -17.947) 17.947 14.564 ( 0.000 0.000 17.947) 17.947 16.283 ( 0.000 0.000 -0.209) 0.209 16.283 ( 0.000 0.000 0.209) 0.209 16.588 ( 0.000 0.000 -0.052) 0.052 16.588 ( 0.000 0.000 0.052) 0.052 18.212 ( 0.000 0.000 -2.933) 2.933 18.212 ( 0.000 0.000 2.933) 2.933 19.452 ( 0.000 0.000 -23.140) 23.140 19.452 ( 0.000 0.000 23.140) 23.140 19.585 ( 0.000 0.000 -16.447) 16.447 19.585 ( 0.000 0.000 16.447) 16.447 20.042 ( 0.000 0.000 -0.054) 0.054 20.042 ( 0.000 0.000 0.054) 0.054 20.715 ( 0.000 0.000 -2.942) 2.942 20.715 ( 0.000 0.000 2.942) 2.942 21.099 ( 0.000 0.000 -1.288) 1.288 21.099 ( 0.000 0.000 1.288) 1.288 24.399 ( 0.000 0.000 -0.034) 0.034 24.399 ( 0.000 0.000 0.034) 0.034 24.993 ( 0.000 0.000 -2.850) 2.850 24.993 ( 0.000 0.000 2.850) 2.850 25.371 ( 0.000 0.000 -0.308) 0.308 25.371 ( 0.000 0.000 0.308) 0.308 27.093 ( 0.000 0.000 -1.114) 1.114 27.093 ( 0.000 0.000 1.114) 1.114 27.277 ( 0.000 0.000 -0.794) 0.794 27.277 ( 0.000 0.000 0.794) 0.794 29.461 ( 0.000 0.000 -7.905) 7.905 29.461 ( 0.000 0.000 7.905) 7.905 29.692 ( 0.000 0.000 -8.957) 8.957 29.692 ( 0.000 0.000 8.957) 8.957 30.115 ( 0.000 0.000 -1.544) 1.544 30.115 ( 0.000 0.000 1.544) 1.544 30.878 ( 0.000 0.000 -0.215) 0.215 30.878 ( 0.000 0.000 0.215) 0.215 31.510 ( 0.000 0.000 -1.408) 1.408 31.510 ( 0.000 0.000 1.408) 1.408 35.635 ( 0.000 0.000 -2.867) 2.867 35.635 ( 0.000 0.000 2.867) 2.867 ======================= Grid point 269 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 3.332 -6.942 -31.458) 32.387 2.618 ( 3.332 -6.942 31.458) 32.387 2.706 ( 4.724 -8.528 -33.941) 35.314 2.706 ( 4.724 -8.528 33.941) 35.314 4.754 ( -1.931 3.098 -18.149) 18.512 4.754 ( -1.931 3.098 18.149) 18.512 4.786 ( 0.803 3.765 -5.748) 6.917 4.786 ( 0.803 3.765 5.748) 6.917 4.917 ( -6.350 -0.953 -6.686) 9.270 4.917 ( -6.350 -0.953 6.686) 9.270 5.065 ( 6.405 4.462 -16.740) 18.470 5.065 ( 6.405 4.462 16.740) 18.470 5.439 ( -0.820 -4.292 -3.488) 5.591 5.439 ( -0.820 -4.292 3.488) 5.591 5.714 ( -4.477 7.872 -2.639) 9.432 5.714 ( -4.477 7.872 2.639) 9.432 6.050 ( 1.916 -6.212 -3.983) 7.624 6.050 ( 1.916 -6.212 3.983) 7.624 6.157 ( 1.249 -1.575 -1.979) 2.820 6.157 ( 1.249 -1.575 1.979) 2.820 7.096 ( -2.911 -9.530 -5.411) 11.339 7.096 ( -2.911 -9.530 5.411) 11.339 7.273 ( 4.175 -5.217 -12.715) 14.364 7.273 ( 4.175 -5.217 12.715) 14.364 7.351 ( 7.923 -3.331 -6.160) 10.574 7.351 ( 7.923 -3.331 6.160) 10.574 8.075 ( -0.793 -1.773 -16.343) 16.458 8.075 ( -0.793 -1.773 16.343) 16.458 8.460 ( 2.338 5.754 -3.782) 7.272 8.460 ( 2.338 5.754 3.782) 7.272 8.595 ( -1.508 1.135 -7.096) 7.343 8.595 ( -1.508 1.135 7.096) 7.343 8.751 ( 3.346 -6.163 -9.502) 11.809 8.751 ( 3.346 -6.163 9.502) 11.809 11.323 ( -7.615 14.939 -3.987) 17.235 11.323 ( -7.615 14.939 3.987) 17.235 11.376 ( -3.214 13.720 -4.957) 14.937 11.376 ( -3.214 13.720 4.957) 14.937 11.760 ( -2.232 -1.068 -5.941) 6.436 11.760 ( -2.232 -1.068 5.941) 6.436 11.838 ( -0.665 2.235 -24.263) 24.374 11.838 ( -0.665 2.235 24.263) 24.374 12.039 ( -7.818 -1.290 -17.648) 19.345 12.039 ( -7.818 -1.290 17.648) 19.345 12.278 ( 7.138 1.227 -14.349) 16.074 12.278 ( 7.138 1.227 14.349) 16.074 12.520 ( -11.447 12.352 -5.198) 17.625 12.520 ( -11.447 12.352 5.198) 17.625 14.584 ( 3.931 -3.241 -5.540) 7.527 14.584 ( 3.931 -3.241 5.540) 7.527 14.759 ( 6.151 -14.782 -15.227) 22.095 14.759 ( 6.151 -14.782 15.227) 22.095 16.324 ( 0.242 -3.854 -0.497) 3.893 16.324 ( 0.242 -3.854 0.497) 3.893 16.613 ( 3.497 -0.694 -1.303) 3.796 16.613 ( 3.497 -0.694 1.303) 3.796 18.236 ( 1.282 -1.978 -2.879) 3.721 18.236 ( 1.282 -1.978 2.879) 3.721 19.410 ( -1.709 4.126 -19.476) 19.981 19.410 ( -1.709 4.126 19.476) 19.981 19.553 ( -3.124 1.480 -15.078) 15.469 19.553 ( -3.124 1.480 15.078) 15.469 20.009 ( -1.521 2.820 -0.290) 3.217 20.009 ( -1.521 2.820 0.290) 3.217 20.771 ( 2.535 -4.019 -3.046) 5.644 20.771 ( 2.535 -4.019 3.046) 5.644 21.010 ( -3.093 6.095 -0.727) 6.874 21.010 ( -3.093 6.095 0.727) 6.874 24.399 ( 0.047 0.045 -0.370) 0.376 24.399 ( 0.047 0.045 0.370) 0.376 25.109 ( -1.287 -11.295 -2.445) 11.628 25.109 ( -1.287 -11.295 2.445) 11.628 25.436 ( 8.372 -2.938 -1.715) 9.037 25.436 ( 8.372 -2.938 1.715) 9.037 27.114 ( 0.002 -1.827 -1.326) 2.258 27.114 ( 0.002 -1.827 1.326) 2.258 27.295 ( 2.119 -0.773 -2.572) 3.422 27.295 ( 2.119 -0.773 2.572) 3.422 29.454 ( 1.078 1.052 -5.996) 6.182 29.454 ( 1.078 1.052 5.996) 6.182 29.681 ( -1.170 0.277 -8.570) 8.654 29.681 ( -1.170 0.277 8.570) 8.654 30.141 ( 1.207 -2.046 -3.095) 3.901 30.141 ( 1.207 -2.046 3.095) 3.901 30.944 ( 3.200 -5.417 -1.167) 6.399 30.944 ( 3.200 -5.417 1.167) 6.399 31.548 ( 1.318 -3.671 -4.488) 5.946 31.548 ( 1.318 -3.671 4.488) 5.946 35.262 ( -17.277 30.312 -12.112) 36.932 35.262 ( -17.277 30.312 12.112) 36.932 ======================= Grid point 271 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 4.733 -11.572 -24.188) 27.228 2.820 ( 4.733 -11.572 24.188) 27.228 2.987 ( 8.270 -16.269 -28.042) 33.458 2.987 ( 8.270 -16.269 28.042) 33.458 4.537 ( -4.999 16.479 -2.608) 17.417 4.537 ( -4.999 16.479 2.608) 17.417 4.743 ( -3.099 1.199 -4.718) 5.771 4.743 ( -3.099 1.199 4.718) 5.771 4.796 ( -3.765 4.540 -11.046) 12.522 4.796 ( -3.765 4.540 11.046) 12.522 5.132 ( 0.532 2.213 -16.532) 16.688 5.132 ( 0.532 2.213 16.532) 16.688 5.489 ( -0.922 -5.640 -14.344) 15.441 5.489 ( -0.922 -5.640 14.344) 15.441 5.596 ( 2.601 0.199 -5.272) 5.882 5.596 ( 2.601 0.199 5.272) 5.882 6.119 ( -0.827 -0.022 -3.519) 3.615 6.119 ( -0.827 -0.022 3.519) 3.615 6.289 ( 5.999 -8.106 -10.240) 14.372 6.289 ( 5.999 -8.106 10.240) 14.372 7.217 ( -1.409 -6.766 -0.988) 6.981 7.217 ( -1.409 -6.766 0.988) 6.981 7.402 ( 1.603 -6.556 -19.566) 20.697 7.402 ( 1.603 -6.556 19.566) 20.697 7.529 ( 5.947 -5.348 -7.217) 10.772 7.529 ( 5.947 -5.348 7.217) 10.772 8.133 ( 2.610 -5.116 -20.967) 21.740 8.133 ( 2.610 -5.116 20.967) 21.740 8.417 ( 4.239 2.581 -4.519) 6.712 8.417 ( 4.239 2.581 4.519) 6.712 8.560 ( -0.522 1.328 -12.054) 12.138 8.560 ( -0.522 1.328 12.054) 12.138 8.894 ( 3.999 -5.798 -14.005) 15.676 8.894 ( 3.999 -5.798 14.005) 15.676 10.764 ( -11.685 28.460 -3.120) 30.923 10.764 ( -11.685 28.460 3.120) 30.923 11.233 ( -4.388 6.539 -4.227) 8.938 11.233 ( -4.388 6.539 4.227) 8.938 11.618 ( -6.897 19.466 -12.036) 23.903 11.618 ( -6.897 19.466 12.036) 23.903 11.778 ( -0.509 2.884 -6.844) 7.444 11.778 ( -0.509 2.884 6.844) 7.444 11.904 ( -6.930 -0.185 -13.060) 14.786 11.904 ( -6.930 -0.185 13.060) 14.786 12.155 ( -4.667 -0.275 -11.776) 12.670 12.155 ( -4.667 -0.275 11.776) 12.670 12.541 ( 2.226 -4.896 -6.240) 8.238 12.541 ( 2.226 -4.896 6.240) 8.238 14.707 ( 4.813 -5.614 -5.997) 9.522 14.707 ( 4.813 -5.614 5.997) 9.522 15.064 ( 6.017 -12.561 -12.163) 18.491 15.064 ( 6.017 -12.561 12.163) 18.491 16.392 ( -0.408 -3.783 -0.876) 3.905 16.392 ( -0.408 -3.783 0.876) 3.905 16.670 ( 4.446 -1.084 -2.009) 4.998 16.670 ( 4.446 -1.084 2.009) 4.998 18.297 ( 1.965 -2.969 -2.635) 4.429 18.297 ( 1.965 -2.969 2.635) 4.429 19.280 ( -3.640 7.520 -11.009) 13.820 19.280 ( -3.640 7.520 11.009) 13.820 19.488 ( -3.551 1.946 -10.961) 11.685 19.488 ( -3.551 1.946 10.961) 11.685 19.927 ( -2.213 4.260 -0.367) 4.814 19.927 ( -2.213 4.260 0.367) 4.814 20.785 ( -0.734 4.693 -1.341) 4.936 20.785 ( -0.734 4.693 1.341) 4.936 20.990 ( 2.017 -5.960 -5.372) 8.273 20.990 ( 2.017 -5.960 5.372) 8.273 24.399 ( 0.072 0.044 -0.587) 0.593 24.399 ( 0.072 0.044 0.587) 0.593 25.272 ( -3.077 -9.978 -4.215) 11.260 25.272 ( -3.077 -9.978 4.215) 11.260 25.612 ( 10.115 -5.259 -4.076) 12.107 25.612 ( 10.115 -5.259 4.076) 12.107 27.133 ( -0.908 -0.528 -4.129) 4.261 27.133 ( -0.908 -0.528 4.129) 4.261 27.333 ( 2.368 -0.601 -6.338) 6.793 27.333 ( 2.368 -0.601 6.338) 6.793 29.458 ( 2.556 0.741 -2.291) 3.511 29.458 ( 2.556 0.741 2.291) 3.511 29.669 ( -0.654 -0.193 -8.386) 8.414 29.669 ( -0.654 -0.193 8.386) 8.414 30.198 ( 0.450 -3.535 -5.464) 6.523 30.198 ( 0.450 -3.535 5.464) 6.523 31.101 ( 5.110 -7.330 -2.760) 9.352 31.101 ( 5.110 -7.330 2.760) 9.352 31.663 ( 2.886 -7.390 -8.870) 11.900 31.663 ( 2.886 -7.390 8.870) 11.900 34.420 ( -23.031 40.558 -25.645) 53.227 34.420 ( -23.031 40.558 25.645) 53.227 ======================= Grid point 273 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 5.334 -13.165 -15.837) 21.274 3.088 ( 5.334 -13.165 15.837) 21.274 3.381 ( 8.123 -18.355 -19.339) 27.873 3.381 ( 8.123 -18.355 19.339) 27.873 4.198 ( -5.323 14.994 -5.267) 16.760 4.198 ( -5.323 14.994 5.267) 16.760 4.648 ( -4.507 6.683 -6.949) 10.642 4.648 ( -4.507 6.683 6.949) 10.642 4.695 ( -5.031 1.420 -9.117) 10.509 4.695 ( -5.031 1.420 9.117) 10.509 4.987 ( -0.999 8.876 -5.323) 10.398 4.987 ( -0.999 8.876 5.323) 10.398 5.659 ( 2.744 -5.717 -6.646) 9.186 5.659 ( 2.744 -5.717 6.646) 9.186 5.694 ( 3.115 -9.235 -10.474) 14.307 5.694 ( 3.115 -9.235 10.474) 14.307 6.085 ( -1.293 2.491 -3.886) 4.793 6.085 ( -1.293 2.491 3.886) 4.793 6.466 ( 7.014 -4.678 -16.934) 18.917 6.466 ( 7.014 -4.678 16.934) 18.917 7.293 ( -0.200 -2.840 -8.610) 9.068 7.293 ( -0.200 -2.840 8.610) 9.068 7.503 ( -1.408 -3.382 -17.634) 18.011 7.503 ( -1.408 -3.382 17.634) 18.011 7.615 ( 0.450 -4.147 -6.746) 7.931 7.615 ( 0.450 -4.147 6.746) 7.931 8.268 ( 3.617 -3.548 -20.438) 21.056 8.268 ( 3.617 -3.548 20.438) 21.056 8.472 ( 5.187 -3.331 -7.149) 9.440 8.472 ( 5.187 -3.331 7.149) 9.440 8.559 ( 1.337 -1.858 -15.256) 15.427 8.559 ( 1.337 -1.858 15.256) 15.427 8.998 ( 2.897 -1.154 -17.205) 17.486 8.998 ( 2.897 -1.154 17.205) 17.486 10.232 ( -8.350 19.709 -5.129) 22.011 10.232 ( -8.350 19.709 5.129) 22.011 11.048 ( -6.011 9.935 -0.987) 11.654 11.048 ( -6.011 9.935 0.987) 11.654 11.216 ( -5.217 14.502 -3.331) 15.768 11.216 ( -5.217 14.502 3.331) 15.768 11.723 ( -2.716 1.718 -6.822) 7.541 11.723 ( -2.716 1.718 6.822) 7.541 11.903 ( -1.478 -1.881 -7.579) 7.948 11.903 ( -1.478 -1.881 7.579) 7.948 12.142 ( -3.050 -1.558 -15.358) 15.735 12.142 ( -3.050 -1.558 15.358) 15.735 12.608 ( 0.395 -1.646 -7.451) 7.641 12.608 ( 0.395 -1.646 7.451) 7.641 14.849 ( 4.104 -5.165 -7.161) 9.736 14.849 ( 4.104 -5.165 7.161) 9.736 15.289 ( 4.164 -7.624 -12.049) 14.854 15.289 ( 4.164 -7.624 12.049) 14.854 16.440 ( -0.447 -2.415 -0.847) 2.598 16.440 ( -0.447 -2.415 0.847) 2.598 16.728 ( 2.991 -1.145 -1.898) 3.723 16.728 ( 2.991 -1.145 1.898) 3.723 18.364 ( 1.677 -2.514 -2.090) 3.674 18.364 ( 1.677 -2.514 2.090) 3.674 19.111 ( -3.517 7.149 -4.438) 9.120 19.111 ( -3.517 7.149 4.438) 9.120 19.425 ( -2.627 1.612 -6.544) 7.234 19.425 ( -2.627 1.612 6.544) 7.234 19.836 ( -1.795 3.628 -0.557) 4.086 19.836 ( -1.795 3.628 0.557) 4.086 20.704 ( -0.243 3.341 -2.217) 4.017 20.704 ( -0.243 3.341 2.217) 4.017 21.129 ( 2.215 -6.193 -6.201) 9.039 21.129 ( 2.215 -6.193 6.201) 9.039 24.399 ( 0.074 0.011 -0.547) 0.552 24.399 ( 0.074 0.011 0.547) 0.552 25.399 ( -1.297 -7.479 -4.510) 8.830 25.399 ( -1.297 -7.479 4.510) 8.830 25.768 ( 5.899 -3.175 -4.483) 8.060 25.768 ( 5.899 -3.175 4.483) 8.060 27.113 ( -1.286 1.358 -8.382) 8.588 27.113 ( -1.286 1.358 8.382) 8.588 27.355 ( 1.082 -0.083 -9.007) 9.072 27.355 ( 1.082 -0.083 9.007) 9.072 29.462 ( 1.779 1.635 -1.914) 3.082 29.462 ( 1.779 1.635 1.914) 3.082 29.684 ( 0.781 -1.369 -8.323) 8.471 29.684 ( 0.781 -1.369 8.323) 8.471 30.263 ( -0.299 -3.704 -7.180) 8.084 30.263 ( -0.299 -3.704 7.180) 8.084 31.267 ( 4.670 -5.718 -3.568) 8.200 31.267 ( 4.670 -5.718 3.568) 8.200 31.865 ( 5.368 -11.895 -14.070) 19.190 31.865 ( 5.368 -11.895 14.070) 19.190 33.534 ( -20.349 36.099 -30.076) 51.204 33.534 ( -20.349 36.099 30.076) 51.204 ======================= Grid point 275 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 3.353 -7.784 -6.705) 10.807 3.329 ( 3.353 -7.784 6.705) 10.807 3.675 ( 2.389 -6.786 -7.346) 10.282 3.675 ( 2.389 -6.786 7.346) 10.282 3.980 ( -1.653 4.893 -8.264) 9.745 3.980 ( -1.653 4.893 8.264) 9.745 4.506 ( -1.871 3.704 -10.185) 10.998 4.506 ( -1.871 3.704 10.185) 10.998 4.627 ( -3.349 1.440 -11.770) 12.321 4.627 ( -3.349 1.440 11.770) 12.321 4.873 ( 0.382 3.792 -7.240) 8.182 4.873 ( 0.382 3.792 7.240) 8.182 5.741 ( 0.816 -2.286 -4.072) 4.741 5.741 ( 0.816 -2.286 4.072) 4.741 5.862 ( 1.946 -5.849 -6.622) 9.047 5.862 ( 1.946 -5.849 6.622) 9.047 6.015 ( -1.560 3.439 -1.914) 4.234 6.015 ( -1.560 3.439 1.914) 4.234 6.576 ( 3.939 -1.344 -11.727) 12.443 6.576 ( 3.939 -1.344 11.727) 12.443 7.312 ( -0.568 -0.397 -10.739) 10.761 7.312 ( -0.568 -0.397 10.739) 10.761 7.508 ( -1.787 -0.754 -9.756) 9.947 7.508 ( -1.787 -0.754 9.756) 9.947 7.703 ( 1.170 -3.148 -10.045) 10.592 7.703 ( 1.170 -3.148 10.045) 10.592 8.310 ( 0.812 -0.274 -14.827) 14.852 8.310 ( 0.812 -0.274 14.827) 14.852 8.528 ( 0.383 -0.506 -8.084) 8.109 8.528 ( 0.383 -0.506 8.084) 8.109 8.672 ( 2.890 -4.711 -5.964) 8.131 8.672 ( 2.890 -4.711 5.964) 8.131 8.980 ( 0.431 3.395 -10.950) 11.472 8.980 ( 0.431 3.395 10.950) 11.472 9.974 ( -2.260 4.972 -8.222) 9.871 9.974 ( -2.260 4.972 8.222) 9.871 10.832 ( -3.304 6.128 -0.575) 6.986 10.832 ( -3.304 6.128 0.575) 6.986 11.050 ( -1.082 3.485 -3.455) 5.025 11.050 ( -1.082 3.485 3.455) 5.025 11.677 ( -1.366 0.825 -6.059) 6.266 11.677 ( -1.366 0.825 6.059) 6.266 11.916 ( -0.366 -0.597 -5.629) 5.672 11.916 ( -0.366 -0.597 5.629) 5.672 12.139 ( -1.135 -0.508 -14.840) 14.892 12.139 ( -1.135 -0.508 14.840) 14.892 12.622 ( -0.160 -0.223 -7.546) 7.551 12.622 ( -0.160 -0.223 7.546) 7.551 14.943 ( 1.624 -2.107 -8.368) 8.781 14.943 ( 1.624 -2.107 8.368) 8.781 15.403 ( 1.518 -2.452 -13.646) 13.947 15.403 ( 1.518 -2.452 13.646) 13.947 16.466 ( -0.155 -0.853 -0.359) 0.938 16.466 ( -0.155 -0.853 0.359) 0.938 16.763 ( 0.967 -0.538 -1.156) 1.600 16.763 ( 0.967 -0.538 1.156) 1.600 18.407 ( 0.651 -0.999 -1.495) 1.913 18.407 ( 0.651 -0.999 1.495) 1.913 18.995 ( -1.419 2.934 -1.968) 3.807 18.995 ( -1.419 2.934 1.968) 3.807 19.388 ( -0.967 0.612 -2.211) 2.490 19.388 ( -0.967 0.612 2.211) 2.490 19.779 ( -0.656 1.382 -0.832) 1.742 19.779 ( -0.656 1.382 0.832) 1.742 20.667 ( 0.050 1.055 -2.558) 2.767 20.667 ( 0.050 1.055 2.558) 2.767 21.220 ( 0.804 -2.336 -5.622) 6.141 21.220 ( 0.804 -2.336 5.622) 6.141 24.400 ( 0.033 -0.003 -0.247) 0.249 24.400 ( 0.033 -0.003 0.247) 0.249 25.489 ( -0.153 -3.212 -4.946) 5.899 25.489 ( -0.153 -3.212 4.946) 5.899 25.836 ( 1.787 -0.682 -3.868) 4.315 25.836 ( 1.787 -0.682 3.868) 4.315 27.079 ( -0.622 0.953 -11.350) 11.407 27.079 ( -0.622 0.953 11.350) 11.407 27.362 ( 0.261 -0.032 -9.327) 9.331 27.362 ( 0.261 -0.032 9.327) 9.331 29.445 ( 0.395 1.028 -2.365) 2.609 29.445 ( 0.395 1.028 2.365) 2.609 29.714 ( 0.690 -0.816 -8.230) 8.299 29.714 ( 0.690 -0.816 8.230) 8.299 30.308 ( -0.239 -1.590 -7.912) 8.074 30.308 ( -0.239 -1.590 7.912) 8.074 31.369 ( 1.847 -2.069 -3.578) 4.527 31.369 ( 1.847 -2.069 3.578) 4.527 32.173 ( 7.603 -14.820 -18.026) 24.544 32.173 ( 7.603 -14.820 18.026) 24.544 32.840 ( -12.977 23.414 -25.118) 36.709 32.840 ( -12.977 23.414 25.118) 36.709 ======================= Grid point 287 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 7.784 0.000 -31.058) 32.018 2.618 ( 7.784 0.000 31.058) 32.018 2.700 ( 9.078 0.000 -29.911) 31.259 2.700 ( 9.078 0.000 29.911) 31.259 4.766 ( -1.534 -0.000 -39.213) 39.243 4.766 ( -1.534 -0.000 39.213) 39.243 4.829 ( -4.275 -0.000 -14.489) 15.107 4.829 ( -4.275 -0.000 14.489) 15.107 4.841 ( 1.450 0.000 -26.490) 26.529 4.841 ( 1.450 0.000 26.490) 26.529 5.212 ( 5.068 0.000 -18.351) 19.038 5.212 ( 5.068 0.000 18.351) 19.038 5.348 ( -6.175 -0.000 -1.811) 6.435 5.348 ( -6.175 -0.000 1.811) 6.435 5.717 ( -4.705 -0.000 -1.978) 5.104 5.717 ( -4.705 -0.000 1.978) 5.104 6.028 ( 3.678 0.000 -3.312) 4.950 6.028 ( 3.678 0.000 3.312) 4.950 6.141 ( -0.723 -0.000 -2.479) 2.583 6.141 ( -0.723 -0.000 2.479) 2.583 7.025 ( 4.661 0.000 -7.608) 8.922 7.025 ( 4.661 0.000 7.608) 8.922 7.257 ( 2.274 0.000 -19.624) 19.756 7.257 ( 2.274 0.000 19.624) 19.756 7.422 ( 11.013 0.000 -2.562) 11.307 7.422 ( 11.013 0.000 2.562) 11.307 8.052 ( -0.129 -0.000 -14.883) 14.884 8.052 ( -0.129 -0.000 14.883) 14.884 8.553 ( -2.348 -0.000 -1.216) 2.644 8.553 ( -2.348 -0.000 1.216) 2.644 8.584 ( 4.569 0.000 -12.454) 13.266 8.584 ( 4.569 0.000 12.454) 13.266 8.732 ( 4.609 0.000 -0.651) 4.655 8.732 ( 4.609 0.000 0.651) 4.655 11.331 ( -5.760 -0.000 -6.443) 8.642 11.331 ( -5.760 -0.000 6.443) 8.642 11.474 ( -25.771 -0.000 -4.285) 26.125 11.474 ( -25.771 -0.000 4.285) 26.125 11.675 ( 1.160 0.000 -7.418) 7.508 11.675 ( 1.160 0.000 7.418) 7.508 11.843 ( -4.559 -0.000 -25.966) 26.363 11.843 ( -4.559 -0.000 25.966) 26.363 11.932 ( -4.135 -0.000 -19.268) 19.707 11.932 ( -4.135 -0.000 19.268) 19.707 12.369 ( 7.298 0.000 -23.593) 24.696 12.369 ( 7.298 0.000 23.593) 24.696 12.506 ( -17.037 -0.000 -8.179) 18.899 12.506 ( -17.037 -0.000 8.179) 18.899 14.600 ( 3.514 0.000 -18.103) 18.441 14.600 ( 3.514 0.000 18.103) 18.441 14.723 ( 14.693 0.000 -1.466) 14.766 14.723 ( 14.693 0.000 1.466) 14.766 16.297 ( 1.339 0.000 -0.183) 1.351 16.297 ( 1.339 0.000 0.183) 1.351 16.654 ( 5.690 0.000 -0.405) 5.704 16.654 ( 5.690 0.000 0.405) 5.704 18.238 ( 2.524 0.000 -3.090) 3.990 18.238 ( 2.524 0.000 3.090) 3.990 19.429 ( -1.948 -0.000 -20.734) 20.825 19.429 ( -1.948 -0.000 20.734) 20.825 19.513 ( -6.682 -0.000 -15.406) 16.792 19.513 ( -6.682 -0.000 15.406) 16.792 20.010 ( -3.158 -0.000 -0.040) 3.158 20.010 ( -3.158 -0.000 0.040) 3.158 20.771 ( 4.656 0.000 -3.709) 5.953 20.771 ( 4.656 0.000 3.709) 5.953 21.019 ( -6.242 -0.000 -0.437) 6.257 21.019 ( -6.242 -0.000 0.437) 6.257 24.400 ( 0.072 0.000 -0.082) 0.109 24.400 ( 0.072 0.000 0.082) 0.109 25.018 ( 2.588 0.000 -3.143) 4.071 25.018 ( 2.588 0.000 3.143) 4.071 25.509 ( 11.595 0.000 -5.665) 12.905 25.509 ( 11.595 0.000 5.665) 12.905 27.103 ( 0.982 0.000 -0.876) 1.316 27.103 ( 0.982 0.000 0.876) 1.316 27.316 ( 3.370 0.000 -3.886) 5.144 27.316 ( 3.370 0.000 3.886) 5.144 29.476 ( 1.341 0.000 -8.449) 8.554 29.476 ( 1.341 0.000 8.449) 8.554 29.666 ( -1.755 -0.000 -7.449) 7.653 29.666 ( -1.755 -0.000 7.449) 7.653 30.149 ( 2.948 0.000 -1.365) 3.248 30.149 ( 2.948 0.000 1.365) 3.248 30.942 ( 6.116 0.000 -0.071) 6.117 30.942 ( 6.116 0.000 0.071) 6.117 31.536 ( 2.634 0.000 -1.988) 3.300 31.536 ( 2.634 0.000 1.988) 3.300 35.266 ( -34.591 -0.000 -12.041) 36.627 35.266 ( -34.591 -0.000 12.041) 36.627 ======================= Grid point 289 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 10.376 -4.953 -28.267) 30.516 2.753 ( 10.376 -4.953 28.267) 30.516 2.879 ( 12.678 -8.080 -29.341) 32.968 2.879 ( 12.678 -8.080 29.341) 32.968 4.686 ( -7.071 5.848 -9.110) 12.930 4.686 ( -7.071 5.848 9.110) 12.930 4.756 ( -3.863 4.942 -5.772) 8.524 4.756 ( -3.863 4.942 5.772) 8.524 4.826 ( -2.530 2.935 -4.997) 6.324 4.826 ( -2.530 2.935 4.997) 6.324 5.156 ( 0.422 2.278 -18.078) 18.226 5.156 ( 0.422 2.278 18.078) 18.226 5.388 ( -1.229 -5.716 -15.156) 16.244 5.388 ( -1.229 -5.716 15.156) 16.244 5.648 ( -0.359 3.112 -2.516) 4.017 5.648 ( -0.359 3.112 2.516) 4.017 6.128 ( 2.661 -0.030 -4.087) 4.877 6.128 ( 2.661 -0.030 4.087) 4.877 6.178 ( 3.986 -9.059 -6.291) 11.727 6.178 ( 3.986 -9.059 6.291) 11.727 7.127 ( 4.256 -4.946 -8.828) 10.978 7.127 ( 4.256 -4.946 8.828) 10.978 7.329 ( 3.780 -4.624 -18.058) 19.020 7.329 ( 3.780 -4.624 18.058) 19.020 7.527 ( 4.682 -1.624 -8.390) 9.745 7.527 ( 4.682 -1.624 8.390) 9.745 8.094 ( 4.508 -3.039 -16.709) 17.571 8.094 ( 4.508 -3.039 16.709) 17.571 8.497 ( 0.183 3.015 -8.596) 9.111 8.497 ( 0.183 3.015 8.596) 9.111 8.607 ( 3.734 2.708 -10.766) 11.713 8.607 ( 3.734 2.708 10.766) 11.713 8.834 ( 4.240 -5.513 -10.098) 12.262 8.834 ( 4.240 -5.513 10.098) 12.262 10.994 ( -25.941 18.240 -5.089) 32.117 10.994 ( -25.941 18.240 5.089) 32.117 11.262 ( -6.290 3.071 -2.596) 7.466 11.262 ( -6.290 3.071 2.596) 7.466 11.697 ( -5.730 0.192 -8.110) 9.932 11.697 ( -5.730 0.192 8.110) 9.932 11.746 ( -10.917 0.080 -10.652) 15.253 11.746 ( -10.917 0.080 10.652) 15.253 11.944 ( -2.053 -0.293 -16.212) 16.344 11.944 ( -2.053 -0.293 16.212) 16.344 12.129 ( -8.156 12.184 -11.927) 18.901 12.129 ( -8.156 12.184 11.927) 18.901 12.545 ( 8.404 -1.779 -15.142) 17.409 12.545 ( 8.404 -1.779 15.142) 17.409 14.680 ( 5.502 -3.861 -11.339) 13.181 14.680 ( 5.502 -3.861 11.339) 13.181 14.947 ( 10.425 -9.009 -4.595) 14.524 14.947 ( 10.425 -9.009 4.595) 14.524 16.339 ( 1.244 -2.789 -0.790) 3.154 16.339 ( 1.244 -2.789 0.790) 3.154 16.711 ( 5.382 0.077 -0.895) 5.457 16.711 ( 5.382 0.077 0.895) 5.457 18.281 ( 3.099 -1.638 -3.145) 4.709 18.281 ( 3.099 -1.638 3.145) 4.709 19.355 ( -3.761 5.228 -10.723) 12.508 19.355 ( -3.761 5.228 10.723) 12.508 19.450 ( -6.427 -0.306 -10.327) 12.167 19.450 ( -6.427 -0.306 10.327) 12.167 19.953 ( -4.043 2.279 -0.144) 4.644 19.953 ( -4.043 2.279 0.144) 4.644 20.820 ( -0.103 0.194 -1.285) 1.304 20.820 ( -0.103 0.194 1.285) 1.304 20.957 ( 0.932 -0.262 -4.791) 4.888 20.957 ( 0.932 -0.262 4.791) 4.888 24.400 ( 0.077 0.043 -0.363) 0.374 24.400 ( 0.077 0.043 0.363) 0.374 25.114 ( 2.195 -6.908 -2.143) 7.559 25.114 ( 2.195 -6.908 2.143) 7.559 25.648 ( 10.728 -2.533 -8.648) 14.011 25.648 ( 10.728 -2.533 8.648) 14.011 27.121 ( 0.821 -0.538 -0.365) 1.047 27.121 ( 0.821 -0.538 0.365) 1.047 27.351 ( 2.657 -0.200 -7.644) 8.095 27.351 ( 2.657 -0.200 7.644) 8.095 29.492 ( 2.297 -0.269 -7.138) 7.503 29.492 ( 2.297 -0.269 7.138) 7.503 29.658 ( -0.225 -0.219 -6.410) 6.418 29.658 ( -0.225 -0.219 6.410) 6.418 30.177 ( 2.186 -0.167 -2.102) 3.037 30.177 ( 2.186 -0.167 2.102) 3.037 31.059 ( 7.884 -4.978 -1.028) 9.381 31.059 ( 7.884 -4.978 1.028) 9.381 31.600 ( 3.994 -3.698 -4.912) 7.332 31.600 ( 3.994 -3.698 4.912) 7.332 34.671 ( -39.195 22.960 -22.635) 50.752 34.671 ( -39.195 22.960 22.635) 50.752 ======================= Grid point 291 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 11.105 -8.407 -20.983) 25.185 2.977 ( 11.105 -8.407 20.983) 25.185 3.206 ( 13.868 -13.924 -23.302) 30.483 3.206 ( 13.868 -13.924 23.302) 30.483 4.389 ( -9.403 15.020 -2.715) 17.927 4.389 ( -9.403 15.020 2.715) 17.927 4.660 ( -5.656 1.312 -5.435) 7.953 4.660 ( -5.656 1.312 5.435) 7.953 4.718 ( -4.675 5.914 -7.654) 10.743 4.718 ( -4.675 5.914 7.654) 10.743 5.075 ( -4.973 4.307 -6.150) 9.006 5.075 ( -4.973 4.307 6.150) 9.006 5.558 ( 7.600 -8.891 -22.763) 25.592 5.558 ( 7.600 -8.891 22.763) 25.592 5.653 ( 3.140 -1.391 -2.009) 3.978 5.653 ( 3.140 -1.391 2.009) 3.978 6.115 ( -0.116 1.831 -5.908) 6.186 6.115 ( -0.116 1.831 5.908) 6.186 6.414 ( 7.029 -9.580 -12.422) 17.190 6.414 ( 7.029 -9.580 12.422) 17.190 7.252 ( 3.264 -5.108 -2.411) 6.524 7.252 ( 3.264 -5.108 2.411) 6.524 7.442 ( 1.823 -2.849 -13.370) 13.791 7.442 ( 1.823 -2.849 13.370) 13.791 7.549 ( -2.310 -1.860 -7.407) 7.979 7.549 ( -2.310 -1.860 7.407) 7.979 8.233 ( 6.030 -5.000 -19.607) 21.114 8.233 ( 6.030 -5.000 19.607) 21.114 8.483 ( 2.400 -0.734 -9.245) 9.579 8.483 ( 2.400 -0.734 9.245) 9.579 8.591 ( 3.575 2.828 -13.764) 14.499 8.591 ( 3.575 2.828 13.764) 14.499 8.962 ( 1.849 -4.831 -14.438) 15.337 8.962 ( 1.849 -4.831 14.438) 15.337 10.428 ( -20.939 18.325 -5.674) 28.398 10.428 ( -20.939 18.325 5.674) 28.398 11.128 ( -5.448 5.892 -1.127) 8.103 11.128 ( -5.448 5.892 1.127) 8.103 11.430 ( -10.859 15.423 -5.883) 19.758 11.430 ( -10.859 15.423 5.883) 19.758 11.664 ( -7.876 -0.305 -12.601) 14.862 11.664 ( -7.876 -0.305 12.601) 14.862 11.901 ( 2.617 1.506 -11.403) 11.796 11.901 ( 2.617 1.506 11.403) 11.796 12.061 ( -2.014 -2.976 -15.951) 16.351 12.061 ( -2.014 -2.976 15.951) 16.351 12.625 ( 4.904 0.126 -15.707) 16.455 12.625 ( 4.904 0.126 15.707) 16.455 14.816 ( 6.121 -4.681 -6.033) 9.787 14.816 ( 6.121 -4.681 6.033) 9.787 15.184 ( 5.026 -9.095 -8.110) 13.182 15.184 ( 5.026 -9.095 8.110) 13.182 16.402 ( 1.281 -2.893 -1.422) 3.469 16.402 ( 1.281 -2.893 1.422) 3.469 16.752 ( 3.537 0.330 -1.412) 3.823 16.752 ( 3.537 0.330 1.412) 3.823 18.344 ( 2.528 -2.112 -2.869) 4.368 18.344 ( 2.528 -2.112 2.869) 4.368 19.205 ( -3.487 7.296 -4.936) 9.474 19.205 ( -3.487 7.296 4.936) 9.474 19.392 ( -5.808 -0.151 -6.726) 8.888 19.392 ( -5.808 -0.151 6.726) 8.888 19.865 ( -3.886 2.979 -0.174) 4.899 19.865 ( -3.886 2.979 0.174) 4.899 20.759 ( -1.331 3.446 -2.609) 4.522 20.759 ( -1.331 3.446 2.609) 4.522 21.059 ( 4.528 -5.419 -6.569) 9.645 21.059 ( 4.528 -5.419 6.569) 9.645 24.400 ( 0.087 0.043 -0.582) 0.590 24.400 ( 0.087 0.043 0.582) 0.590 25.266 ( 2.137 -8.030 -2.841) 8.782 25.266 ( 2.137 -8.030 2.841) 8.782 25.779 ( 6.228 -2.344 -8.135) 10.510 25.779 ( 6.228 -2.344 8.135) 10.510 27.124 ( 0.070 0.871 -3.336) 3.448 27.124 ( 0.070 0.871 3.336) 3.448 27.365 ( 0.447 0.332 -11.142) 11.156 27.365 ( 0.447 0.332 11.142) 11.156 29.523 ( 3.455 0.897 -4.508) 5.751 29.523 ( 3.455 0.897 4.508) 5.751 29.669 ( 1.236 -0.852 -7.207) 7.362 29.669 ( 1.236 -0.852 7.207) 7.362 30.203 ( -0.072 -1.863 -4.455) 4.829 30.203 ( -0.072 -1.863 4.455) 4.829 31.237 ( 8.196 -5.618 -2.016) 10.139 31.237 ( 8.196 -5.618 2.016) 10.139 31.744 ( 5.258 -7.991 -9.373) 13.393 31.744 ( 5.258 -7.991 9.373) 13.393 33.843 ( -33.113 29.291 -29.682) 53.249 33.843 ( -33.113 29.291 29.682) 53.249 ======================= Grid point 293 (84/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 8.964 -8.951 -11.927) 17.399 3.234 ( 8.964 -8.951 11.927) 17.399 3.567 ( 10.370 -11.722 -12.375) 19.953 3.567 ( 10.370 -11.722 12.375) 19.953 4.085 ( -5.255 10.334 -6.852) 13.467 4.085 ( -5.255 10.334 6.852) 13.467 4.538 ( -7.765 4.247 -7.203) 11.411 4.538 ( -7.765 4.247 7.203) 11.411 4.611 ( -2.214 1.531 -6.239) 6.795 4.611 ( -2.214 1.531 6.239) 6.795 4.959 ( -1.589 5.254 -4.987) 7.416 4.959 ( -1.589 5.254 4.987) 7.416 5.706 ( 2.053 -2.897 -4.757) 5.937 5.706 ( 2.053 -2.897 4.757) 5.937 5.781 ( 5.620 -6.835 -11.436) 14.460 5.781 ( 5.620 -6.835 11.436) 14.460 6.064 ( -1.003 3.373 -4.962) 6.083 6.064 ( -1.003 3.373 4.962) 6.083 6.604 ( 6.499 -3.380 -11.580) 13.703 6.604 ( 6.499 -3.380 11.580) 13.703 7.330 ( 2.941 0.922 -8.973) 9.487 7.330 ( 2.941 0.922 8.973) 9.487 7.444 ( -3.251 -3.289 -16.915) 17.535 7.444 ( -3.251 -3.289 16.915) 17.535 7.623 ( 0.006 -5.707 -7.724) 9.603 7.623 ( 0.006 -5.707 7.724) 9.603 8.316 ( 1.610 -0.847 -15.835) 15.939 8.316 ( 1.610 -0.847 15.835) 15.939 8.541 ( 1.896 -0.084 -13.234) 13.369 8.541 ( 1.896 -0.084 13.234) 13.369 8.620 ( 3.566 -3.465 -13.946) 14.806 8.620 ( 3.566 -3.465 13.946) 14.806 8.994 ( -4.102 0.548 -14.006) 14.604 8.994 ( -4.102 0.548 14.006) 14.604 10.034 ( -10.182 8.453 -7.550) 15.236 10.034 ( -10.182 8.453 7.550) 15.236 10.952 ( -3.226 8.891 -3.528) 10.095 10.952 ( -3.226 8.891 3.528) 10.095 11.134 ( -2.603 9.679 -5.596) 11.479 11.134 ( -2.603 9.679 5.596) 11.479 11.609 ( -7.748 -2.578 -10.815) 13.551 11.609 ( -7.748 -2.578 10.815) 13.551 11.917 ( 1.989 -0.094 -7.993) 8.237 11.917 ( 1.989 -0.094 7.993) 8.237 12.097 ( -0.943 -2.578 -14.205) 14.468 12.097 ( -0.943 -2.578 14.205) 14.468 12.649 ( 3.208 1.302 -16.999) 17.348 12.649 ( 3.208 1.302 16.999) 17.348 14.936 ( 4.735 -2.417 -7.195) 8.946 14.936 ( 4.735 -2.417 7.195) 8.946 15.341 ( 0.559 -5.790 -11.639) 13.012 15.341 ( 0.559 -5.790 11.639) 13.012 16.457 ( 1.839 -1.639 -1.632) 2.955 16.457 ( 1.839 -1.639 1.632) 2.955 16.771 ( 1.540 0.385 -1.574) 2.235 16.771 ( 1.540 0.385 1.574) 2.235 18.394 ( 1.215 -1.451 -2.230) 2.925 18.394 ( 1.215 -1.451 2.230) 2.925 19.063 ( -1.086 6.015 -1.711) 6.347 19.063 ( -1.086 6.015 1.711) 6.347 19.350 ( -4.784 -1.300 -3.267) 5.937 19.350 ( -4.784 -1.300 3.267) 5.937 19.788 ( -2.920 1.760 -0.486) 3.444 19.788 ( -2.920 1.760 0.486) 3.444 20.701 ( 0.049 2.633 -2.762) 3.816 20.701 ( 0.049 2.633 2.762) 3.816 21.182 ( 2.924 -4.011 -6.239) 7.972 21.182 ( 2.924 -4.011 6.239) 7.972 24.401 ( 0.071 0.043 -0.526) 0.532 24.401 ( 0.071 0.043 0.526) 0.532 25.419 ( 3.004 -6.447 -4.778) 8.568 25.419 ( 3.004 -6.447 4.778) 8.568 25.841 ( 1.470 -0.473 -5.577) 5.787 25.841 ( 1.470 -0.473 5.577) 5.787 27.096 ( -0.345 1.772 -7.479) 7.693 27.096 ( -0.345 1.772 7.479) 7.693 27.359 ( -0.631 -0.026 -11.553) 11.570 27.359 ( -0.631 -0.026 11.553) 11.570 29.512 ( 3.131 3.761 -3.464) 5.996 29.512 ( 3.131 3.761 3.464) 5.996 29.708 ( 1.693 -1.228 -7.881) 8.154 29.708 ( 1.693 -1.228 7.881) 8.154 30.243 ( -1.772 -3.751 -6.604) 7.799 30.243 ( -1.772 -3.751 6.604) 7.799 31.380 ( 6.489 -1.940 -2.058) 7.079 31.380 ( 6.489 -1.940 2.058) 7.079 31.989 ( 6.831 -13.881 -14.974) 21.530 31.989 ( 6.831 -13.881 14.974) 21.530 33.087 ( -23.543 25.124 -28.716) 44.834 33.087 ( -23.543 25.124 28.716) 44.834 ======================= Grid point 295 (85/100) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 2.291 -0.247 -4.485) 5.042 3.391 ( 2.291 -0.247 4.485) 5.042 3.728 ( 3.158 -0.352 -3.990) 5.101 3.728 ( 3.158 -0.352 3.990) 5.101 3.970 ( 0.189 2.054 -4.825) 5.247 3.970 ( 0.189 2.054 4.825) 5.247 4.462 ( -1.526 -1.747 -9.534) 9.812 4.462 ( -1.526 -1.747 9.534) 9.812 4.604 ( 0.554 -2.643 -9.031) 9.426 4.604 ( 0.554 -2.643 9.031) 9.426 4.870 ( -0.598 3.414 -9.409) 10.027 4.870 ( -0.598 3.414 9.409) 10.027 5.757 ( 1.051 -0.587 -2.728) 2.982 5.757 ( 1.051 -0.587 2.728) 2.982 5.895 ( 0.475 -1.203 -7.174) 7.290 5.895 ( 0.475 -1.203 7.174) 7.290 6.008 ( 1.181 1.097 -2.105) 2.651 6.008 ( 1.181 1.097 2.105) 2.651 6.615 ( -0.293 5.293 -9.974) 11.295 6.615 ( -0.293 5.293 9.974) 11.295 7.340 ( 3.452 0.292 -9.371) 9.991 7.340 ( 3.452 0.292 9.371) 9.991 7.502 ( 1.091 -3.115 -7.257) 7.972 7.502 ( 1.091 -3.115 7.257) 7.972 7.687 ( -2.799 -2.493 -9.650) 10.352 7.687 ( -2.799 -2.493 9.650) 10.352 8.324 ( 0.890 1.341 -14.654) 14.742 8.324 ( 0.890 1.341 14.654) 14.742 8.545 ( 1.357 0.292 -6.589) 6.733 8.545 ( 1.357 0.292 6.589) 6.733 8.691 ( -0.748 -0.758 -4.380) 4.508 8.691 ( -0.748 -0.758 4.380) 4.508 8.899 ( -8.038 0.452 -5.867) 9.962 8.899 ( -8.038 0.452 5.867) 9.962 9.923 ( -2.424 -1.029 -8.558) 8.954 9.923 ( -2.424 -1.029 8.558) 8.954 10.840 ( 3.117 2.415 -3.225) 5.094 10.840 ( 3.117 2.415 3.225) 5.094 11.027 ( -0.787 1.521 -4.826) 5.121 11.027 ( -0.787 1.521 4.826) 5.121 11.607 ( -4.945 -4.615 -7.604) 10.177 11.607 ( -4.945 -4.615 7.604) 10.177 11.938 ( 2.468 0.218 -6.450) 6.910 11.938 ( 2.468 0.218 6.450) 6.910 12.128 ( -0.541 -1.916 -11.698) 11.866 12.128 ( -0.541 -1.916 11.698) 11.866 12.657 ( 3.455 1.378 -18.459) 18.830 12.657 ( 3.455 1.378 18.459) 18.830 14.976 ( 1.651 1.705 -9.574) 9.863 14.976 ( 1.651 1.705 9.574) 9.863 15.392 ( -2.384 -1.438 -13.438) 13.723 15.392 ( -2.384 -1.438 13.438) 13.723 16.491 ( 2.459 0.180 -1.108) 2.703 16.491 ( 2.459 0.180 1.108) 2.703 16.766 ( -0.508 0.906 -1.816) 2.093 16.766 ( -0.508 0.906 1.816) 2.093 18.413 ( -0.082 0.048 -1.553) 1.555 18.413 ( -0.082 0.048 1.553) 1.555 18.998 ( 1.649 1.527 -1.456) 2.678 18.998 ( 1.649 1.527 1.456) 2.678 19.346 ( -3.068 -2.793 -1.290) 4.345 19.346 ( -3.068 -2.793 1.290) 4.345 19.756 ( -1.543 -0.691 -0.734) 1.843 19.756 ( -1.543 -0.691 0.734) 1.843 20.669 ( 0.190 1.219 -2.517) 2.803 20.669 ( 0.190 1.219 2.517) 2.803 21.241 ( 1.190 -0.228 -5.764) 5.890 21.241 ( 1.190 -0.228 5.764) 5.890 24.400 ( 0.021 0.062 -0.216) 0.225 24.400 ( 0.021 0.062 0.216) 0.225 25.525 ( 3.581 -1.474 -5.762) 6.943 25.525 ( 3.581 -1.474 5.762) 6.943 25.829 ( -2.415 1.040 -4.137) 4.902 25.829 ( -2.415 1.040 4.137) 4.902 27.075 ( 0.211 0.201 -10.739) 10.743 27.075 ( 0.211 0.201 10.739) 10.743 27.355 ( -0.854 -0.221 -10.070) 10.109 27.355 ( -0.854 -0.221 10.070) 10.109 29.478 ( 2.614 3.156 -2.944) 5.046 29.478 ( 2.614 3.156 2.944) 5.046 29.724 ( 0.335 0.649 -8.195) 8.228 29.724 ( 0.335 0.649 8.195) 8.228 30.286 ( -1.864 -3.008 -7.629) 8.410 30.286 ( -1.864 -3.008 7.629) 8.410 31.419 ( 3.047 2.887 -2.775) 5.032 31.419 ( 3.047 2.887 2.775) 5.032 32.272 ( 0.528 -2.537 -14.033) 14.270 32.272 ( 0.528 -2.537 14.033) 14.270 32.630 ( -5.970 -1.403 -17.381) 18.431 32.630 ( -5.970 -1.403 17.381) 18.431 ======================= Grid point 299 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -1.880 11.576 -9.457) 15.065 3.276 ( -1.880 11.576 9.457) 15.065 3.635 ( -1.620 15.475 -13.985) 20.921 3.635 ( -1.620 15.475 13.985) 20.921 4.009 ( 0.638 -9.629 -7.707) 12.350 4.009 ( 0.638 -9.629 7.707) 12.350 4.574 ( 5.633 -7.597 -8.545) 12.746 4.574 ( 5.633 -7.597 8.545) 12.746 4.700 ( 2.946 -4.723 -11.756) 13.007 4.700 ( 2.946 -4.723 11.756) 13.007 4.851 ( -1.763 -3.371 -8.083) 8.934 4.851 ( -1.763 -3.371 8.083) 8.934 5.720 ( -1.181 4.560 -3.534) 5.889 5.720 ( -1.181 4.560 3.534) 5.889 5.835 ( -0.826 6.745 -6.055) 9.102 5.835 ( -0.826 6.745 6.055) 9.102 6.058 ( 2.530 -2.606 -3.324) 4.924 6.058 ( 2.530 -2.606 3.324) 4.924 6.477 ( -5.532 5.654 -19.688) 21.217 6.477 ( -5.532 5.654 19.688) 21.217 7.365 ( 4.777 2.136 -11.952) 13.048 7.365 ( 4.777 2.136 11.952) 13.048 7.546 ( 0.499 0.168 -10.390) 10.404 7.546 ( 0.499 0.168 10.390) 10.404 7.658 ( -2.145 1.489 -7.926) 8.345 7.658 ( -2.145 1.489 7.926) 8.345 8.284 ( -1.720 2.701 -18.262) 18.541 8.284 ( -1.720 2.701 18.262) 18.541 8.524 ( -0.973 5.640 -8.646) 10.368 8.524 ( -0.973 5.640 8.646) 10.368 8.600 ( -2.549 4.735 -15.116) 16.044 8.600 ( -2.549 4.735 15.116) 16.044 8.913 ( -4.742 -6.985 -17.005) 18.985 8.913 ( -4.742 -6.985 17.005) 18.985 10.002 ( 0.720 -10.523 -6.694) 12.492 10.002 ( 0.720 -10.523 6.694) 12.492 10.942 ( 5.847 -7.969 -2.825) 10.279 10.942 ( 5.847 -7.969 2.825) 10.279 11.070 ( 1.242 -6.772 -2.780) 7.425 11.070 ( 1.242 -6.772 2.780) 7.425 11.659 ( -2.355 -5.181 -7.494) 9.410 11.659 ( -2.355 -5.181 7.494) 9.410 11.959 ( 3.808 0.873 -8.342) 9.211 11.959 ( 3.808 0.873 8.342) 9.211 12.149 ( -1.051 -1.392 -12.360) 12.483 12.149 ( -1.051 -1.392 12.360) 12.483 12.665 ( 3.696 2.176 -18.879) 19.360 12.665 ( 3.696 2.176 18.879) 19.360 14.913 ( -1.393 5.442 -9.776) 11.275 14.913 ( -1.393 5.442 9.776) 11.275 15.348 ( -3.252 3.373 -13.077) 13.891 15.348 ( -3.252 3.373 13.077) 13.891 16.497 ( 2.706 2.116 -0.445) 3.464 16.497 ( 2.706 2.116 0.445) 3.464 16.727 ( -2.494 1.899 -2.526) 4.025 16.727 ( -2.494 1.899 2.526) 4.025 18.391 ( -0.860 1.893 -1.435) 2.527 18.391 ( -0.860 1.893 1.435) 2.527 19.045 ( 3.164 -4.026 -3.579) 6.247 19.045 ( 3.164 -4.026 3.579) 6.247 19.384 ( -1.152 -3.931 -5.669) 6.994 19.384 ( -1.152 -3.931 5.669) 6.994 19.783 ( -0.151 -3.319 -0.727) 3.401 19.783 ( -0.151 -3.319 0.727) 3.401 20.666 ( 0.011 -0.939 -1.856) 2.080 20.666 ( 0.011 -0.939 1.856) 2.080 21.211 ( -0.150 4.266 -6.116) 7.458 21.211 ( -0.150 4.266 6.116) 7.458 24.399 ( -0.026 0.062 -0.295) 0.303 24.399 ( -0.026 0.062 0.295) 0.303 25.532 ( 4.088 4.613 -5.313) 8.137 25.532 ( 4.088 4.613 5.313) 8.137 25.762 ( -5.371 2.499 -6.027) 8.451 25.762 ( -5.371 2.499 6.027) 8.451 27.097 ( 1.035 -1.788 -11.608) 11.790 27.097 ( 1.035 -1.788 11.608) 11.790 27.347 ( -1.020 0.151 -8.443) 8.505 27.347 ( -1.020 0.151 8.443) 8.505 29.458 ( 1.273 1.588 -2.740) 3.414 29.458 ( 1.273 1.588 2.740) 3.414 29.700 ( -0.653 1.532 -8.307) 8.472 29.700 ( -0.653 1.532 8.307) 8.472 30.298 ( -0.996 0.157 -7.854) 7.919 30.298 ( -0.996 0.157 7.854) 7.919 31.348 ( -0.418 6.606 -3.823) 7.643 31.348 ( -0.418 6.606 3.823) 7.643 32.031 ( -5.832 13.611 -18.043) 23.341 32.031 ( -5.832 13.611 18.043) 23.341 33.070 ( 9.115 -33.669 -28.407) 44.985 33.070 ( 9.115 -33.669 28.407) 44.985 ======================= Grid point 301 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -1.236 14.672 -17.738) 23.053 3.026 ( -1.236 14.672 17.738) 23.053 3.260 ( -3.645 21.891 -23.738) 32.496 3.260 ( -3.645 21.891 23.738) 32.496 4.270 ( 1.804 -17.558 -4.579) 18.235 4.270 ( 1.804 -17.558 4.579) 18.235 4.741 ( 3.849 -5.176 -10.375) 12.217 4.741 ( 3.849 -5.176 10.375) 12.217 4.767 ( 1.920 -0.357 -8.177) 8.407 4.767 ( 1.920 -0.357 8.177) 8.407 4.993 ( -0.170 -12.870 -7.366) 14.830 4.993 ( -0.170 -12.870 7.366) 14.830 5.613 ( -1.629 5.625 -4.080) 7.137 5.613 ( -1.629 5.625 4.080) 7.137 5.652 ( -0.941 11.667 -14.685) 18.779 5.652 ( -0.941 11.667 14.685) 18.779 6.120 ( 1.985 -1.880 -4.004) 4.849 6.120 ( 1.985 -1.880 4.004) 4.849 6.339 ( -4.900 4.934 -14.020) 15.650 6.339 ( -4.900 4.934 14.020) 15.650 7.359 ( 6.053 4.708 -6.107) 9.803 7.359 ( 6.053 4.708 6.107) 9.803 7.477 ( -4.195 4.416 -10.618) 12.241 7.477 ( -4.195 4.416 10.618) 12.241 7.603 ( -0.781 6.276 -5.883) 8.638 7.603 ( -0.781 6.276 5.883) 8.638 8.195 ( -2.534 4.633 -24.053) 24.625 8.195 ( -2.534 4.633 24.053) 24.625 8.380 ( -2.995 3.955 -1.232) 5.112 8.380 ( -2.995 3.955 1.232) 5.112 8.561 ( 0.710 0.674 -17.516) 17.543 8.561 ( 0.710 0.674 17.516) 17.543 8.932 ( -2.502 1.361 -18.498) 18.716 8.932 ( -2.502 1.361 18.498) 18.716 10.339 ( 2.581 -26.420 -2.884) 26.702 10.339 ( 2.581 -26.420 2.884) 26.702 11.132 ( 1.954 -8.559 -4.646) 9.933 11.132 ( 1.954 -8.559 4.646) 9.933 11.323 ( 4.142 -18.721 -2.960) 19.401 11.323 ( 4.142 -18.721 2.960) 19.401 11.722 ( -1.158 -3.785 -8.692) 9.551 11.722 ( -1.158 -3.785 8.692) 9.551 11.991 ( 5.924 0.578 -10.723) 12.265 11.991 ( 5.924 0.578 10.723) 12.265 12.148 ( -2.972 -0.548 -15.460) 15.752 12.148 ( -2.972 -0.548 15.460) 15.752 12.640 ( 2.412 4.698 -17.490) 18.270 12.640 ( 2.412 4.698 17.490) 18.270 14.782 ( -2.151 7.097 -8.271) 11.109 14.782 ( -2.151 7.097 8.271) 11.109 15.213 ( -2.514 9.020 -12.120) 15.316 15.213 ( -2.514 9.020 12.120) 15.316 16.470 ( 1.883 3.783 -0.614) 4.270 16.470 ( 1.883 3.783 0.614) 4.270 16.662 ( -2.865 2.148 -3.178) 4.788 16.662 ( -2.865 2.148 3.178) 4.788 18.337 ( -0.815 3.151 -1.976) 3.807 18.337 ( -0.815 3.151 1.976) 3.807 19.178 ( 2.441 -7.508 -7.969) 11.217 19.178 ( 2.441 -7.508 7.969) 11.217 19.452 ( 0.293 -4.276 -10.476) 11.318 19.452 ( 0.293 -4.276 10.476) 11.318 19.859 ( 0.553 -4.991 -0.560) 5.053 19.859 ( 0.553 -4.991 0.560) 5.053 20.707 ( 0.057 -3.911 -1.022) 4.043 20.707 ( 0.057 -3.911 1.022) 4.043 21.101 ( -0.668 7.621 -6.639) 10.130 21.101 ( -0.668 7.621 6.639) 10.130 24.398 ( -0.032 0.015 -0.576) 0.577 24.398 ( -0.032 0.015 0.576) 0.577 25.473 ( 5.984 7.426 -4.322) 10.471 25.473 ( 5.984 7.426 4.322) 10.471 25.624 ( -8.053 6.246 -6.632) 12.160 25.624 ( -8.053 6.246 6.632) 12.160 27.139 ( 1.043 -1.344 -9.421) 9.573 27.139 ( 1.043 -1.344 9.421) 9.573 27.327 ( -1.151 0.836 -6.287) 6.446 27.327 ( -1.151 0.836 6.287) 6.446 29.441 ( -0.470 0.869 -1.196) 1.551 29.441 ( -0.470 0.869 1.196) 1.551 29.677 ( -0.035 0.510 -8.402) 8.418 29.677 ( -0.035 0.510 8.402) 8.418 30.260 ( -0.299 3.281 -7.343) 8.048 30.260 ( -0.299 3.281 7.343) 8.048 31.204 ( -1.651 8.403 -4.087) 9.489 31.204 ( -1.651 8.403 4.087) 9.489 31.790 ( -2.054 10.196 -13.174) 16.785 31.790 ( -2.054 10.196 13.174) 16.785 33.829 ( 8.248 -43.845 -29.644) 53.565 33.829 ( 8.248 -43.845 29.644) 53.565 ======================= Grid point 303 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 0.000 12.822 -25.881) 28.883 2.779 ( 0.000 12.822 25.881) 28.883 2.898 ( 0.000 16.812 -31.163) 35.409 2.898 ( 0.000 16.812 31.163) 35.409 4.585 ( -0.000 -16.293 -5.085) 17.068 4.585 ( -0.000 -16.293 5.085) 17.068 4.768 ( 0.000 0.324 -7.422) 7.429 4.768 ( 0.000 0.324 7.422) 7.429 4.858 ( -0.000 -6.713 -9.593) 11.709 4.858 ( -0.000 -6.713 9.593) 11.709 5.101 ( 0.000 4.082 -24.235) 24.576 5.101 ( 0.000 4.082 24.235) 24.576 5.518 ( 0.000 4.657 -4.845) 6.720 5.518 ( 0.000 4.657 4.845) 6.720 5.568 ( -0.000 -6.178 -7.195) 9.483 5.568 ( -0.000 -6.178 7.195) 9.483 6.154 ( -0.000 -0.481 -2.823) 2.864 6.154 ( -0.000 -0.481 2.823) 2.864 6.192 ( 0.000 8.971 -6.627) 11.153 6.192 ( 0.000 8.971 6.627) 11.153 7.319 ( 0.000 6.071 -5.473) 8.174 7.319 ( 0.000 6.071 5.473) 8.174 7.345 ( 0.000 8.202 -11.393) 14.038 7.345 ( 0.000 8.202 11.393) 14.038 7.409 ( 0.000 10.662 -10.149) 14.720 7.409 ( 0.000 10.662 10.149) 14.720 8.120 ( 0.000 3.014 -20.941) 21.157 8.120 ( 0.000 3.014 20.941) 21.157 8.363 ( -0.000 -3.256 -1.051) 3.422 8.363 ( -0.000 -3.256 1.051) 3.422 8.574 ( -0.000 -1.451 -11.859) 11.947 8.574 ( -0.000 -1.451 11.859) 11.947 8.846 ( 0.000 6.119 -13.620) 14.932 8.846 ( 0.000 6.119 13.620) 14.932 10.878 ( -0.000 -32.248 -2.089) 32.316 10.878 ( -0.000 -32.248 2.089) 32.316 11.276 ( -0.000 -6.861 -5.757) 8.956 11.276 ( -0.000 -6.861 5.757) 8.956 11.685 ( -0.000 -17.413 -16.720) 24.141 11.685 ( -0.000 -17.413 16.720) 24.141 11.760 ( -0.000 -1.469 -8.821) 8.942 11.760 ( -0.000 -1.469 8.821) 8.942 12.088 ( -0.000 -8.291 -3.460) 8.984 12.088 ( -0.000 -8.291 3.460) 8.984 12.112 ( 0.000 0.873 -22.022) 22.039 12.112 ( 0.000 0.873 22.022) 22.039 12.551 ( 0.000 6.484 -13.947) 15.381 12.551 ( 0.000 6.484 13.947) 15.381 14.651 ( 0.000 6.409 -6.048) 8.812 14.651 ( 0.000 6.409 6.048) 8.812 14.997 ( 0.000 14.399 -14.244) 20.254 14.997 ( 0.000 14.399 14.244) 20.254 16.404 ( 0.000 4.879 -0.892) 4.960 16.404 ( 0.000 4.879 0.892) 4.960 16.614 ( 0.000 1.508 -2.630) 3.032 16.614 ( 0.000 1.508 2.630) 3.032 18.276 ( 0.000 3.257 -2.527) 4.123 18.276 ( 0.000 3.257 2.527) 4.123 19.322 ( -0.000 -7.164 -14.295) 15.990 19.322 ( -0.000 -7.164 14.295) 15.990 19.523 ( -0.000 -3.470 -14.079) 14.500 19.523 ( -0.000 -3.470 14.079) 14.500 19.949 ( -0.000 -4.809 -0.470) 4.832 19.949 ( -0.000 -4.809 0.470) 4.832 20.787 ( -0.000 -3.573 -1.068) 3.729 20.787 ( -0.000 -3.573 1.068) 3.729 20.976 ( 0.000 4.206 -4.290) 6.008 20.976 ( 0.000 4.206 4.290) 6.008 24.398 ( -0.000 -0.039 -0.603) 0.604 24.398 ( -0.000 -0.039 0.603) 0.604 25.361 ( 0.000 13.851 -10.144) 17.168 25.361 ( 0.000 13.851 10.144) 17.168 25.446 ( 0.000 4.158 -3.292) 5.304 25.446 ( 0.000 4.158 3.292) 5.304 27.147 ( 0.000 1.200 -5.337) 5.470 27.147 ( 0.000 1.200 5.337) 5.470 27.301 ( 0.000 1.202 -3.839) 4.023 27.301 ( 0.000 1.202 3.839) 4.023 29.432 ( -0.000 -0.472 -2.087) 2.140 29.432 ( -0.000 -0.472 2.087) 2.140 29.679 ( -0.000 -0.438 -8.630) 8.641 29.679 ( -0.000 -0.438 8.630) 8.641 30.192 ( 0.000 4.079 -5.753) 7.053 30.192 ( 0.000 4.079 5.753) 7.053 31.049 ( 0.000 8.174 -2.946) 8.689 31.049 ( 0.000 8.174 2.946) 8.689 31.634 ( 0.000 7.036 -8.648) 11.148 31.634 ( 0.000 7.036 8.648) 11.148 34.661 ( -0.000 -45.852 -22.736) 51.180 34.661 ( -0.000 -45.852 22.736) 51.180 ======================= Grid point 309 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 14.242 0.000 -14.913) 20.621 2.836 ( 14.242 0.000 14.913) 20.621 2.964 ( 17.587 0.000 -12.583) 21.624 2.964 ( 17.587 0.000 12.583) 21.624 4.641 ( -9.351 -0.000 -10.617) 14.148 4.641 ( -9.351 -0.000 10.617) 14.148 4.752 ( -8.541 -0.000 -11.906) 14.653 4.752 ( -8.541 -0.000 11.906) 14.653 4.850 ( -0.122 -0.000 -18.331) 18.331 4.850 ( -0.122 -0.000 18.331) 18.331 5.148 ( -11.614 -0.000 -4.795) 12.565 5.148 ( -11.614 -0.000 4.795) 12.565 5.354 ( 11.052 0.000 -34.522) 36.248 5.354 ( 11.052 0.000 34.522) 36.248 5.678 ( 0.815 0.000 -2.346) 2.484 5.678 ( 0.815 0.000 2.346) 2.484 6.081 ( -1.179 -0.000 -5.352) 5.480 6.081 ( -1.179 -0.000 5.352) 5.480 6.204 ( 8.672 0.000 -1.875) 8.872 6.204 ( 8.672 0.000 1.875) 8.872 7.128 ( 3.356 0.000 -18.050) 18.360 7.128 ( 3.356 0.000 18.050) 18.360 7.333 ( 5.684 0.000 -15.226) 16.253 7.333 ( 5.684 0.000 15.226) 16.253 7.539 ( -0.245 -0.000 -4.514) 4.521 7.539 ( -0.245 -0.000 4.514) 4.521 8.133 ( 8.835 0.000 -13.360) 16.018 8.133 ( 8.835 0.000 13.360) 16.018 8.515 ( -1.053 -0.000 -2.315) 2.543 8.515 ( -1.053 -0.000 2.315) 2.543 8.694 ( 5.251 0.000 -7.188) 8.901 8.694 ( 5.251 0.000 7.188) 8.901 8.813 ( 3.271 0.000 -3.685) 4.927 8.813 ( 3.271 0.000 3.685) 4.927 10.843 ( -34.237 -0.000 -6.168) 34.789 10.843 ( -34.237 -0.000 6.168) 34.789 11.225 ( -6.039 -0.000 -0.106) 6.040 11.225 ( -6.039 -0.000 0.106) 6.040 11.557 ( -19.683 -0.000 -11.337) 22.714 11.557 ( -19.683 -0.000 11.337) 22.714 11.683 ( -1.310 -0.000 -7.283) 7.400 11.683 ( -1.310 -0.000 7.283) 7.400 11.920 ( 1.442 0.000 -18.017) 18.075 11.920 ( 1.442 0.000 18.017) 18.075 12.209 ( -4.077 -0.000 -18.371) 18.818 12.209 ( -4.077 -0.000 18.371) 18.818 12.619 ( 8.863 0.000 -23.184) 24.821 12.619 ( 8.863 0.000 23.184) 24.821 14.694 ( 5.691 0.000 -18.574) 19.427 14.694 ( 5.691 0.000 18.574) 19.427 14.983 ( 10.822 0.000 -6.406) 12.576 14.983 ( 10.822 0.000 6.406) 12.576 16.327 ( 1.379 0.000 -1.380) 1.951 16.327 ( 1.379 0.000 1.380) 1.951 16.767 ( 5.094 0.000 -0.367) 5.107 16.767 ( 5.094 0.000 0.367) 5.107 18.302 ( 3.652 0.000 -3.468) 5.037 18.302 ( 3.652 0.000 3.468) 5.037 19.344 ( -8.957 -0.000 -9.493) 13.052 19.344 ( -8.957 -0.000 9.493) 13.052 19.397 ( -2.007 -0.000 -19.955) 20.056 19.397 ( -2.007 -0.000 19.955) 20.056 19.926 ( -5.091 -0.000 -0.188) 5.094 19.926 ( -5.091 -0.000 0.188) 5.094 20.814 ( -1.653 -0.000 -0.836) 1.852 20.814 ( -1.653 -0.000 0.836) 1.852 20.973 ( 3.392 0.000 -7.750) 8.460 20.973 ( 3.392 0.000 7.750) 8.460 24.401 ( 0.057 0.000 -0.135) 0.146 24.401 ( 0.057 0.000 0.135) 0.146 25.092 ( 4.658 0.000 -3.632) 5.907 25.092 ( 4.658 0.000 3.632) 5.907 25.729 ( 9.249 0.000 -12.485) 15.538 25.729 ( 9.249 0.000 12.485) 15.538 27.131 ( 1.831 0.000 -0.854) 2.020 27.131 ( 1.831 0.000 0.854) 2.020 27.372 ( 1.513 0.000 -10.351) 10.461 27.372 ( 1.513 0.000 10.351) 10.461 29.491 ( -0.525 -0.000 -9.676) 9.691 29.491 ( -0.525 -0.000 9.676) 9.691 29.673 ( 3.394 0.000 -5.239) 6.242 29.673 ( 3.394 0.000 5.239) 6.242 30.213 ( 3.295 0.000 -0.052) 3.296 30.213 ( 3.295 0.000 0.052) 3.296 31.096 ( 8.759 0.000 -0.369) 8.766 31.096 ( 8.759 0.000 0.369) 8.766 31.618 ( 5.823 0.000 -4.022) 7.077 31.618 ( 5.823 0.000 4.022) 7.077 34.432 ( -46.161 -0.000 -25.564) 52.767 34.432 ( -46.161 -0.000 25.564) 52.767 ======================= Grid point 311 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 15.582 -3.220 -16.652) 23.032 3.017 ( 15.582 -3.220 16.652) 23.032 3.201 ( 19.652 -5.752 -18.020) 27.277 3.201 ( 19.652 -5.752 18.020) 27.277 4.488 ( -11.580 7.786 -4.290) 14.599 4.488 ( -11.580 7.786 4.290) 14.599 4.608 ( -11.511 1.979 -1.863) 11.827 4.608 ( -11.511 1.979 1.863) 11.827 4.782 ( -2.408 6.099 -9.643) 11.661 4.782 ( -2.408 6.099 9.643) 11.661 5.043 ( -7.576 -0.315 -2.455) 7.970 5.043 ( -7.576 -0.315 2.455) 7.970 5.536 ( 12.920 -5.299 -28.136) 31.411 5.536 ( 12.920 -5.299 28.136) 31.411 5.685 ( 3.532 0.788 -2.681) 4.503 5.685 ( 3.532 0.788 2.681) 4.503 6.111 ( -1.914 -2.662 -6.925) 7.662 6.111 ( -1.914 -2.662 6.925) 7.662 6.329 ( 7.543 -6.134 -3.375) 10.291 6.329 ( 7.543 -6.134 3.375) 10.291 7.183 ( 0.967 -4.233 -17.295) 17.832 7.183 ( 0.967 -4.233 17.295) 17.832 7.408 ( -0.367 -3.420 -6.093) 6.997 7.408 ( -0.367 -3.420 6.093) 6.997 7.532 ( 1.695 0.582 -6.071) 6.330 7.532 ( 1.695 0.582 6.071) 6.330 8.244 ( 8.294 -1.836 -14.313) 16.644 8.244 ( 8.294 -1.836 14.313) 16.644 8.499 ( 0.848 0.699 -2.999) 3.193 8.499 ( 0.848 0.699 2.999) 3.193 8.692 ( 3.788 3.921 -8.208) 9.853 8.692 ( 3.788 3.921 8.208) 9.853 8.892 ( 1.051 -4.565 -12.061) 12.939 8.892 ( 1.051 -4.565 12.061) 12.939 10.425 ( -27.988 9.765 -4.773) 30.024 10.425 ( -27.988 9.765 4.773) 30.024 11.144 ( -6.043 2.734 -3.338) 7.425 11.144 ( -6.043 2.734 3.338) 7.425 11.381 ( -16.695 -0.880 -5.810) 17.699 11.381 ( -16.695 -0.880 5.810) 17.699 11.653 ( -2.821 2.695 -8.872) 9.692 11.653 ( -2.821 2.695 8.872) 9.692 11.945 ( 1.210 -0.484 -16.045) 16.098 11.945 ( 1.210 -0.484 16.045) 16.098 12.102 ( 1.585 7.397 -16.844) 18.465 12.102 ( 1.585 7.397 16.844) 18.465 12.692 ( 6.278 0.783 -24.169) 24.983 12.692 ( 6.278 0.783 24.169) 24.983 14.798 ( 6.321 -4.649 -13.944) 16.000 14.798 ( 6.321 -4.649 13.944) 16.000 15.115 ( 6.275 -4.580 -7.520) 10.812 15.115 ( 6.275 -4.580 7.520) 10.812 16.364 ( 1.035 -2.692 -2.097) 3.566 16.364 ( 1.035 -2.692 2.097) 3.566 16.803 ( 3.942 1.011 -0.893) 4.167 16.803 ( 3.942 1.011 0.893) 4.167 18.345 ( 3.097 -0.945 -3.494) 4.764 18.345 ( 3.097 -0.945 3.494) 4.764 19.244 ( -7.231 1.767 -6.193) 9.683 19.244 ( -7.231 1.767 6.193) 9.683 19.353 ( -2.993 2.321 -13.473) 13.995 19.353 ( -2.993 2.321 13.473) 13.995 19.860 ( -5.001 1.603 -0.148) 5.254 19.860 ( -5.001 1.603 0.148) 5.254 20.785 ( -1.360 1.323 -2.420) 3.075 20.785 ( -1.360 1.323 2.420) 3.075 21.039 ( 5.153 -2.647 -8.942) 10.654 21.039 ( 5.153 -2.647 8.942) 10.654 24.402 ( 0.056 0.021 -0.401) 0.405 24.402 ( 0.056 0.021 0.401) 0.405 25.184 ( 4.456 -5.000 -2.264) 7.070 25.184 ( 4.456 -5.000 2.264) 7.070 25.813 ( 5.792 -0.689 -13.191) 14.423 25.813 ( 5.792 -0.689 13.191) 14.423 27.146 ( 1.623 0.624 -0.027) 1.739 27.146 ( 1.623 0.624 0.027) 1.739 27.372 ( -0.735 0.555 -13.430) 13.462 27.372 ( -0.735 0.555 13.430) 13.462 29.510 ( -0.671 -3.107 -8.537) 9.110 29.510 ( -0.671 -3.107 8.537) 9.110 29.709 ( 5.238 1.117 -5.376) 7.589 29.709 ( 5.238 1.117 5.376) 7.589 30.219 ( 1.975 2.186 -1.612) 3.359 30.219 ( 1.975 2.186 1.612) 3.359 31.228 ( 8.593 -4.954 -1.143) 9.985 31.228 ( 8.593 -4.954 1.143) 9.985 31.710 ( 7.360 -3.064 -6.437) 10.247 31.710 ( 7.360 -3.064 6.437) 10.247 33.852 ( -41.288 14.659 -29.737) 52.952 33.852 ( -41.288 14.659 29.737) 52.952 ======================= Grid point 313 (91/100) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 13.285 -4.398 -13.959) 19.765 3.229 ( 13.285 -4.398 13.959) 19.765 3.518 ( 16.580 -8.821 -13.948) 23.394 3.518 ( 16.580 -8.821 13.948) 23.394 4.202 ( -8.745 10.774 -3.548) 14.322 4.202 ( -8.745 10.774 3.548) 14.322 4.484 ( -9.916 0.785 -4.339) 10.852 4.484 ( -9.916 0.785 4.339) 10.852 4.648 ( -3.209 4.814 -2.836) 6.443 4.648 ( -3.209 4.814 2.836) 6.443 4.989 ( -3.479 1.026 -5.601) 6.673 4.989 ( -3.479 1.026 5.601) 6.673 5.702 ( 4.863 -1.237 -2.588) 5.646 5.702 ( 4.863 -1.237 2.588) 5.646 5.759 ( 8.398 -3.923 -11.772) 14.983 5.759 ( 8.398 -3.923 11.772) 14.983 6.101 ( -1.234 1.848 -7.187) 7.523 6.101 ( -1.234 1.848 7.187) 7.523 6.544 ( 4.686 -10.172 -7.749) 13.619 6.544 ( 4.686 -10.172 7.749) 13.619 7.291 ( 0.083 -7.297 -13.525) 15.368 7.291 ( 0.083 -7.297 13.525) 15.368 7.403 ( -3.769 0.154 -4.656) 5.993 7.403 ( -3.769 0.154 4.656) 5.993 7.566 ( 3.290 -0.622 -2.264) 4.042 7.566 ( 3.290 -0.622 2.264) 4.042 8.319 ( 2.754 -0.683 -14.500) 14.775 8.319 ( 2.754 -0.683 14.500) 14.775 8.536 ( 2.653 -2.067 -5.671) 6.593 8.536 ( 2.653 -2.067 5.671) 6.593 8.659 ( 2.380 3.134 -12.141) 12.763 8.659 ( 2.380 3.134 12.141) 12.763 8.938 ( -4.122 -1.678 -13.898) 14.593 8.938 ( -4.122 -1.678 13.898) 14.593 10.048 ( -15.063 7.677 -5.960) 17.926 10.048 ( -15.063 7.677 5.960) 17.926 11.012 ( -6.836 4.659 -5.724) 10.060 11.012 ( -6.836 4.659 5.724) 10.060 11.262 ( -4.734 3.118 -2.933) 6.382 11.262 ( -4.734 3.118 2.933) 6.382 11.527 ( -5.763 5.044 -10.889) 13.312 11.527 ( -5.763 5.044 10.889) 13.312 11.951 ( 2.472 1.043 -10.152) 10.500 11.951 ( 2.472 1.043 10.152) 10.500 12.061 ( 0.758 -0.204 -9.908) 9.939 12.061 ( 0.758 -0.204 9.908) 9.939 12.716 ( 4.169 2.032 -25.218) 25.641 12.716 ( 4.169 2.032 25.218) 25.641 14.945 ( 6.804 -3.901 -5.994) 9.871 14.945 ( 6.804 -3.901 5.994) 9.871 15.237 ( 0.185 -5.592 -7.677) 9.499 15.237 ( 0.185 -5.592 7.677) 9.499 16.429 ( 1.221 -3.443 -2.663) 4.520 16.429 ( 1.221 -3.443 2.663) 4.520 16.812 ( 2.631 1.777 -1.885) 3.692 16.812 ( 2.631 1.777 1.885) 3.692 18.387 ( 1.672 -0.982 -3.104) 3.659 18.387 ( 1.672 -0.982 3.104) 3.659 19.147 ( -2.379 3.927 -1.812) 4.937 19.147 ( -2.379 3.927 1.812) 4.937 19.281 ( -4.948 0.720 -6.565) 8.252 19.281 ( -4.948 0.720 6.565) 8.252 19.784 ( -4.021 1.787 -0.061) 4.401 19.784 ( -4.021 1.787 0.061) 4.401 20.747 ( 0.144 2.434 -2.490) 3.485 20.747 ( 0.144 2.434 2.490) 3.485 21.145 ( 3.786 -4.027 -7.977) 9.705 21.145 ( 3.786 -4.027 7.977) 9.705 24.402 ( 0.059 0.030 -0.616) 0.620 24.402 ( 0.059 0.030 0.616) 0.620 25.335 ( 4.223 -7.235 -2.668) 8.792 25.335 ( 4.223 -7.235 2.668) 8.792 25.855 ( 1.856 0.346 -11.779) 11.930 25.855 ( 1.856 0.346 11.779) 11.930 27.133 ( 0.743 2.219 -2.804) 3.652 27.133 ( 0.743 2.219 2.804) 3.652 27.349 ( -1.683 0.245 -14.837) 14.934 27.349 ( -1.683 0.245 14.837) 14.934 29.564 ( 0.561 -2.055 -7.284) 7.589 29.564 ( 0.561 -2.055 7.284) 7.589 29.734 ( 4.889 1.555 -6.374) 8.182 29.734 ( 4.889 1.555 6.374) 8.182 30.195 ( -0.716 0.732 -4.179) 4.302 30.195 ( -0.716 0.732 4.179) 4.302 31.403 ( 8.004 -4.705 -1.304) 9.376 31.403 ( 8.004 -4.705 1.304) 9.376 31.869 ( 7.534 -7.351 -10.040) 14.546 31.869 ( 7.534 -7.351 10.040) 14.546 33.199 ( -30.543 18.605 -29.757) 46.524 33.199 ( -30.543 18.605 29.757) 46.524 ======================= Grid point 315 (92/100) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 6.234 -2.608 -7.207) 9.880 3.397 ( 6.234 -2.608 7.207) 9.880 3.749 ( 7.066 -2.845 -3.879) 8.547 3.749 ( 7.066 -2.845 3.879) 8.547 4.018 ( -2.455 4.019 -4.380) 6.431 4.018 ( -2.455 4.019 4.380) 6.431 4.417 ( -1.638 -1.294 -6.466) 6.795 4.417 ( -1.638 -1.294 6.466) 6.795 4.577 ( -2.136 0.282 -3.362) 3.993 4.577 ( -2.136 0.282 3.362) 3.993 4.926 ( -1.719 3.340 -5.354) 6.541 4.926 ( -1.719 3.340 5.354) 6.541 5.757 ( 3.440 -1.213 -1.539) 3.959 5.757 ( 3.440 -1.213 1.539) 3.959 5.877 ( 2.810 -2.071 -10.468) 11.035 5.877 ( 2.810 -2.071 10.468) 11.035 6.043 ( -0.854 2.533 -7.628) 8.083 6.043 ( -0.854 2.533 7.628) 8.083 6.682 ( 0.781 -0.460 -3.821) 3.927 6.682 ( 0.781 -0.460 3.821) 3.927 7.380 ( 2.666 -1.038 -5.962) 6.613 7.380 ( 2.666 -1.038 5.962) 6.613 7.428 ( 1.324 -5.766 -11.858) 13.252 7.428 ( 1.324 -5.766 11.858) 13.252 7.600 ( -2.517 -2.704 -6.642) 7.600 7.600 ( -2.517 -2.704 6.642) 7.600 8.356 ( 3.072 -0.496 -12.804) 13.177 8.356 ( 3.072 -0.496 12.804) 13.177 8.546 ( -2.084 0.577 -15.030) 15.184 8.546 ( -2.084 0.577 15.030) 15.184 8.661 ( 0.363 -1.157 -14.649) 14.699 8.661 ( 0.363 -1.157 14.649) 14.699 8.864 ( -6.594 3.415 -10.006) 12.461 8.864 ( -6.594 3.415 10.006) 12.461 9.887 ( -4.405 0.778 -7.450) 8.690 9.887 ( -4.405 0.778 7.450) 8.690 10.891 ( -3.109 2.453 -5.789) 7.014 10.891 ( -3.109 2.453 5.789) 7.014 11.141 ( 3.078 9.944 -7.052) 12.574 11.141 ( 3.078 9.944 7.052) 12.574 11.455 ( -7.169 -4.881 -7.182) 11.261 11.455 ( -7.169 -4.881 7.182) 11.261 11.970 ( 3.233 0.204 -6.877) 7.602 11.970 ( 3.233 0.204 6.877) 7.602 12.080 ( -1.418 -1.927 -6.618) 7.037 12.080 ( -1.418 -1.927 6.618) 7.037 12.719 ( 3.419 1.646 -27.098) 27.362 12.719 ( 3.419 1.646 27.098) 27.362 15.033 ( 4.969 1.036 -10.278) 11.463 15.033 ( 4.969 1.036 10.278) 11.463 15.309 ( -3.330 -4.807 -11.347) 12.765 15.309 ( -3.330 -4.807 11.347) 12.765 16.497 ( 1.796 -2.473 -2.870) 4.192 16.497 ( 1.796 -2.473 2.870) 4.192 16.794 ( 0.899 2.312 -2.910) 3.824 16.794 ( 0.899 2.312 2.910) 3.824 18.409 ( 0.354 -0.469 -2.366) 2.438 18.409 ( 0.354 -0.469 2.366) 2.438 19.070 ( 1.686 4.375 -0.822) 4.761 19.070 ( 1.686 4.375 0.822) 4.761 19.250 ( -5.012 -3.039 -1.777) 6.125 19.250 ( -5.012 -3.039 1.777) 6.125 19.731 ( -2.478 0.324 -0.310) 2.519 19.731 ( -2.478 0.324 0.310) 2.519 20.706 ( 0.372 2.569 -2.392) 3.530 20.706 ( 0.372 2.569 2.392) 3.530 21.233 ( 1.981 -2.480 -6.849) 7.549 21.233 ( 1.981 -2.480 6.849) 7.549 24.402 ( 0.038 0.065 -0.535) 0.540 24.402 ( 0.038 0.065 0.535) 0.540 25.498 ( 4.343 -6.331 -6.461) 10.034 25.498 ( 4.343 -6.331 6.461) 10.034 25.834 ( -1.692 2.212 -9.833) 10.220 25.834 ( -1.692 2.212 9.833) 10.220 27.096 ( 0.215 2.094 -6.477) 6.810 27.096 ( 0.215 2.094 6.477) 6.810 27.338 ( -1.201 -0.496 -13.220) 13.284 27.338 ( -1.201 -0.496 13.220) 13.284 29.568 ( 2.053 2.828 -5.486) 6.504 29.568 ( 2.053 2.828 5.486) 6.504 29.751 ( 2.514 1.307 -8.001) 8.488 29.751 ( 2.514 1.307 8.001) 8.488 30.199 ( -2.314 -3.247 -6.586) 7.699 30.199 ( -2.314 -3.247 6.586) 7.699 31.507 ( 5.756 1.212 -0.864) 5.945 31.507 ( 5.756 1.212 0.864) 5.945 32.126 ( 7.099 -14.103 -15.321) 22.000 32.126 ( 7.099 -14.103 15.321) 22.000 32.658 ( -18.916 14.926 -25.091) 34.787 32.658 ( -18.916 14.926 25.091) 34.787 ======================= Grid point 317 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -0.030 4.733 -5.193) 7.026 3.409 ( -0.030 4.733 5.193) 7.026 3.813 ( 5.553 1.606 -1.819) 6.061 3.813 ( 5.553 1.606 1.819) 6.061 3.927 ( -4.980 3.338 -0.762) 6.044 3.927 ( -4.980 3.338 0.762) 6.044 4.504 ( 4.757 -6.175 -8.661) 11.652 4.504 ( 4.757 -6.175 8.661) 11.652 4.602 ( -1.518 -5.017 -10.097) 11.376 4.602 ( -1.518 -5.017 10.097) 11.376 4.857 ( -0.494 2.946 -12.704) 13.050 4.857 ( -0.494 2.946 12.704) 13.050 5.791 ( 2.337 2.845 -2.832) 4.645 5.791 ( 2.337 2.845 2.832) 4.645 5.871 ( -2.333 0.282 -4.385) 4.975 5.871 ( -2.333 0.282 4.385) 4.975 6.045 ( 1.539 -1.623 -1.352) 2.613 6.045 ( 1.539 -1.623 1.352) 2.613 6.579 ( -2.095 9.494 -19.071) 21.406 6.579 ( -2.095 9.494 19.071) 21.406 7.442 ( 6.110 0.087 -10.393) 12.056 7.442 ( 6.110 0.087 10.393) 12.056 7.523 ( -0.204 -2.793 -8.930) 9.359 7.523 ( -0.204 -2.793 8.930) 9.359 7.608 ( -4.108 -3.259 -9.381) 10.747 7.608 ( -4.108 -3.259 9.381) 10.747 8.344 ( 0.870 4.587 -15.705) 16.385 8.344 ( 0.870 4.587 15.705) 16.385 8.587 ( 2.949 -3.207 -9.403) 10.363 8.587 ( 2.949 -3.207 9.403) 10.363 8.658 ( -2.269 1.810 -4.293) 5.182 8.658 ( -2.269 1.810 4.293) 5.182 8.732 ( -6.550 0.086 -7.055) 9.627 8.732 ( -6.550 0.086 7.055) 9.627 9.891 ( -0.741 -3.486 -7.984) 8.744 9.891 ( -0.741 -3.486 7.984) 8.744 10.890 ( 1.079 -3.360 -5.457) 6.499 10.890 ( 1.079 -3.360 5.457) 6.499 11.036 ( 1.273 3.211 -7.947) 8.666 11.036 ( 1.273 3.211 7.947) 8.666 11.520 ( -2.910 -7.477 -6.587) 10.381 11.520 ( -2.910 -7.477 6.587) 10.381 12.001 ( 3.296 0.105 -8.357) 8.984 12.001 ( 3.296 0.105 8.357) 8.984 12.097 ( -2.353 -2.285 -9.680) 10.221 12.097 ( -2.353 -2.285 9.680) 10.221 12.728 ( 2.551 1.151 -27.455) 27.598 12.728 ( 2.551 1.151 27.455) 27.598 15.004 ( 0.966 5.313 -13.202) 14.264 15.004 ( 0.966 5.313 13.202) 14.264 15.338 ( -2.152 -1.490 -13.016) 13.277 15.338 ( -2.152 -1.490 13.016) 13.277 16.542 ( 1.911 -0.387 -2.488) 3.161 16.542 ( 1.911 -0.387 2.488) 3.161 16.749 ( -0.826 2.910 -3.738) 4.809 16.749 ( -0.826 2.910 3.738) 4.809 18.408 ( -0.222 0.733 -1.599) 1.773 18.408 ( -0.222 0.733 1.599) 1.773 19.043 ( 2.049 0.746 -3.043) 3.744 19.043 ( 2.049 0.746 3.043) 3.744 19.284 ( -2.432 -5.073 -3.158) 6.452 19.284 ( -2.432 -5.073 3.158) 6.452 19.729 ( -0.858 -2.037 -0.570) 2.283 19.729 ( -0.858 -2.037 0.570) 2.283 20.673 ( 0.126 1.438 -2.096) 2.545 20.673 ( 0.126 1.438 2.096) 2.545 21.260 ( 0.575 0.994 -6.157) 6.263 21.260 ( 0.575 0.994 6.157) 6.263 24.400 ( 0.006 0.102 -0.219) 0.242 24.400 ( 0.006 0.102 0.219) 0.242 25.615 ( 4.908 -1.526 -8.625) 10.041 25.615 ( 4.908 -1.526 8.625) 10.041 25.754 ( -4.510 3.310 -7.185) 9.106 25.754 ( -4.510 3.310 7.185) 9.106 27.082 ( 0.298 -0.332 -10.123) 10.133 27.082 ( 0.298 -0.332 10.123) 10.133 27.337 ( -0.622 -0.342 -10.549) 10.573 27.337 ( -0.622 -0.342 10.549) 10.573 29.526 ( 1.620 3.823 -4.197) 5.903 29.526 ( 1.620 3.823 4.197) 5.903 29.730 ( 0.216 2.398 -8.447) 8.783 29.730 ( 0.216 2.398 8.447) 8.783 30.249 ( -1.321 -3.958 -7.580) 8.653 30.249 ( -1.321 -3.958 7.580) 8.653 31.473 ( 1.861 6.594 -2.476) 7.286 31.473 ( 1.861 6.594 2.476) 7.286 32.208 ( -3.673 12.653 -20.809) 24.629 32.208 ( -3.673 12.653 20.809) 24.629 32.608 ( 1.026 -25.234 -23.400) 34.429 32.608 ( 1.026 -25.234 23.400) 34.429 ======================= Grid point 319 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 0.000 12.130 -10.059) 15.758 3.257 ( 0.000 12.130 10.059) 15.758 3.617 ( 0.000 19.953 -17.828) 26.757 3.617 ( 0.000 19.953 17.828) 26.757 4.011 ( -0.000 -12.620 -8.277) 15.092 4.011 ( -0.000 -12.620 8.277) 15.092 4.675 ( -0.000 -5.155 -12.208) 13.252 4.675 ( -0.000 -5.155 12.208) 13.252 4.707 ( -0.000 -11.408 -8.202) 14.050 4.707 ( -0.000 -11.408 8.202) 14.050 4.827 ( -0.000 -0.809 -13.474) 13.498 4.827 ( -0.000 -0.809 13.474) 13.498 5.705 ( 0.000 6.149 -4.630) 7.697 5.705 ( 0.000 6.149 4.630) 7.697 5.827 ( 0.000 6.496 -5.805) 8.712 5.827 ( 0.000 6.496 5.805) 8.712 6.092 ( -0.000 -2.502 -4.509) 5.156 6.092 ( -0.000 -2.502 4.509) 5.156 6.406 ( 0.000 7.244 -21.199) 22.402 6.406 ( 0.000 7.244 21.199) 22.402 7.480 ( 0.000 2.491 -16.498) 16.685 7.480 ( 0.000 2.491 16.498) 16.685 7.481 ( 0.000 2.108 -8.083) 8.354 7.481 ( 0.000 2.108 8.083) 8.354 7.650 ( -0.000 -1.263 -8.966) 9.055 7.650 ( -0.000 -1.263 8.966) 9.055 8.261 ( 0.000 4.900 -22.391) 22.921 8.261 ( 0.000 4.900 22.391) 22.921 8.495 ( 0.000 9.924 -2.713) 10.288 8.495 ( 0.000 9.924 2.713) 10.288 8.594 ( 0.000 2.551 -19.543) 19.709 8.594 ( 0.000 2.551 19.543) 19.709 8.854 ( -0.000 -9.234 -20.851) 22.804 8.854 ( -0.000 -9.234 20.851) 22.804 10.009 ( -0.000 -12.339 -5.998) 13.720 10.009 ( -0.000 -12.339 5.998) 13.720 10.999 ( -0.000 -7.613 -5.195) 9.217 10.999 ( -0.000 -7.613 5.195) 9.217 11.094 ( -0.000 -9.434 -4.252) 10.348 11.094 ( -0.000 -9.434 4.252) 10.348 11.628 ( -0.000 -6.261 -8.072) 10.216 11.628 ( -0.000 -6.261 8.072) 10.216 12.022 ( -0.000 -0.179 -9.651) 9.653 12.022 ( -0.000 -0.179 9.651) 9.653 12.115 ( -0.000 -1.319 -15.008) 15.066 12.115 ( -0.000 -1.319 15.008) 15.066 12.714 ( 0.000 2.346 -24.672) 24.783 12.714 ( 0.000 2.346 24.672) 24.783 14.896 ( 0.000 7.078 -11.274) 13.312 14.896 ( 0.000 7.078 11.274) 13.312 15.310 ( 0.000 3.626 -12.592) 13.103 15.310 ( 0.000 3.626 12.592) 13.103 16.537 ( 0.000 2.264 -1.580) 2.761 16.537 ( 0.000 2.264 1.580) 2.761 16.690 ( 0.000 2.929 -4.150) 5.079 16.690 ( 0.000 2.929 4.150) 5.079 18.381 ( 0.000 2.228 -1.402) 2.633 18.381 ( 0.000 2.228 1.402) 2.633 19.085 ( -0.000 -4.334 -5.474) 6.982 19.085 ( -0.000 -4.334 5.474) 6.982 19.365 ( -0.000 -5.420 -7.627) 9.356 19.365 ( -0.000 -5.420 7.627) 9.356 19.780 ( -0.000 -4.136 -0.653) 4.188 19.780 ( -0.000 -4.136 0.653) 4.188 20.667 ( -0.000 -0.858 -1.503) 1.730 20.667 ( -0.000 -0.858 1.503) 1.730 21.210 ( 0.000 4.997 -6.430) 8.143 21.210 ( 0.000 4.997 6.430) 8.143 24.399 ( 0.000 0.085 -0.315) 0.327 24.399 ( 0.000 0.085 0.315) 0.327 25.626 ( 0.000 5.829 -8.348) 10.182 25.626 ( 0.000 5.829 8.348) 10.182 25.655 ( 0.000 2.628 -14.416) 14.653 25.655 ( 0.000 2.628 14.416) 14.653 27.109 ( -0.000 -2.264 -11.763) 11.978 27.109 ( -0.000 -2.264 11.763) 11.978 27.334 ( 0.000 0.388 -7.933) 7.942 27.334 ( 0.000 0.388 7.933) 7.942 29.475 ( 0.000 2.911 -3.147) 4.287 29.475 ( 0.000 2.911 3.147) 4.287 29.693 ( 0.000 1.609 -8.337) 8.491 29.693 ( 0.000 1.609 8.337) 8.491 30.285 ( -0.000 -0.476 -7.786) 7.801 30.285 ( -0.000 -0.476 7.786) 7.801 31.345 ( 0.000 8.599 -3.807) 9.404 31.345 ( 0.000 8.599 3.807) 9.404 31.969 ( 0.000 12.164 -17.404) 21.233 31.969 ( 0.000 12.164 17.404) 21.233 33.164 ( -0.000 -37.090 -29.131) 47.163 33.164 ( -0.000 -37.090 29.131) 47.163 ======================= Grid point 329 (95/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 16.355 0.000 -0.549) 16.364 3.149 ( 16.355 0.000 0.549) 16.364 3.373 ( 22.525 0.000 -1.165) 22.555 3.373 ( 22.525 0.000 1.165) 22.555 4.447 ( -9.145 -0.000 -7.959) 12.123 4.447 ( -9.145 -0.000 7.959) 12.123 4.487 ( -15.254 -0.000 -1.223) 15.303 4.487 ( -15.254 -0.000 1.223) 15.303 4.834 ( -4.210 -0.000 -18.450) 18.924 4.834 ( -4.210 -0.000 18.450) 18.924 4.942 ( -6.949 -0.000 -7.942) 10.553 4.942 ( -6.949 -0.000 7.942) 10.553 5.634 ( 15.004 0.000 -25.181) 29.312 5.634 ( 15.004 0.000 25.181) 29.312 5.733 ( 4.660 0.000 -2.547) 5.311 5.733 ( 4.660 0.000 2.547) 5.311 6.043 ( -2.058 -0.000 -8.466) 8.712 6.043 ( -2.058 -0.000 8.466) 8.712 6.347 ( 3.694 0.000 -4.698) 5.976 6.347 ( 3.694 0.000 4.698) 5.976 7.148 ( -0.524 -0.000 -23.165) 23.170 7.148 ( -0.524 -0.000 23.165) 23.170 7.334 ( -6.628 -0.000 -0.348) 6.637 7.334 ( -6.628 -0.000 0.348) 6.637 7.588 ( 7.383 0.000 -14.008) 15.835 7.588 ( 7.383 0.000 14.008) 15.835 8.311 ( 6.597 0.000 -11.666) 13.402 8.311 ( 6.597 0.000 11.666) 13.402 8.516 ( 1.430 0.000 -3.715) 3.980 8.516 ( 1.430 0.000 3.715) 3.980 8.765 ( 1.471 0.000 -0.185) 1.482 8.765 ( 1.471 0.000 0.185) 1.482 8.852 ( 0.864 0.000 -1.612) 1.829 8.852 ( 0.864 0.000 1.612) 1.829 10.237 ( -24.523 -0.000 -1.838) 24.591 10.237 ( -24.523 -0.000 1.838) 24.591 11.110 ( -5.974 -0.000 -5.318) 7.998 11.110 ( -5.974 -0.000 5.318) 7.998 11.209 ( -13.424 -0.000 -5.169) 14.385 11.209 ( -13.424 -0.000 5.169) 14.385 11.657 ( -1.216 -0.000 -8.348) 8.436 11.657 ( -1.216 -0.000 8.348) 8.436 11.951 ( 1.371 0.000 -14.324) 14.389 11.951 ( 1.371 0.000 14.324) 14.389 12.190 ( 0.597 0.000 -21.541) 21.549 12.190 ( 0.597 0.000 21.541) 21.549 12.761 ( 5.530 0.000 -29.673) 30.184 12.761 ( 5.530 0.000 29.673) 30.184 14.808 ( 5.364 0.000 -19.183) 19.919 14.808 ( 5.364 0.000 19.183) 19.919 15.144 ( 5.718 0.000 -15.308) 16.341 15.144 ( 5.718 0.000 15.308) 16.341 16.345 ( 0.394 0.000 -2.817) 2.845 16.345 ( 0.394 0.000 2.817) 2.845 16.851 ( 3.509 0.000 -0.943) 3.634 16.851 ( 3.509 0.000 0.943) 3.634 18.369 ( 2.870 0.000 -3.822) 4.779 18.369 ( 2.870 0.000 3.822) 4.779 19.171 ( -7.795 -0.000 -8.849) 11.793 19.171 ( -7.795 -0.000 8.849) 11.793 19.363 ( -1.665 -0.000 -15.107) 15.198 19.363 ( -1.665 -0.000 15.107) 15.198 19.825 ( -4.727 -0.000 -0.207) 4.732 19.825 ( -4.727 -0.000 0.207) 4.732 20.788 ( -0.059 -0.000 -2.418) 2.418 20.788 ( -0.059 -0.000 2.418) 2.418 21.065 ( 4.415 0.000 -10.833) 11.699 21.065 ( 4.415 0.000 10.833) 11.699 24.402 ( 0.030 0.000 -0.169) 0.171 24.402 ( 0.030 0.000 0.169) 0.171 25.187 ( 4.547 0.000 -3.902) 5.992 25.187 ( 4.547 0.000 3.902) 5.992 25.859 ( 4.225 0.000 -15.365) 15.935 25.859 ( 4.225 0.000 15.365) 15.935 27.172 ( 2.199 0.000 -1.278) 2.543 27.172 ( 2.199 0.000 1.278) 2.543 27.364 ( -2.116 -0.000 -15.437) 15.581 27.364 ( -2.116 -0.000 15.437) 15.581 29.462 ( -1.853 -0.000 -8.011) 8.223 29.462 ( -1.853 -0.000 8.011) 8.223 29.778 ( 6.024 0.000 -7.025) 9.254 29.778 ( 6.024 0.000 7.025) 9.254 30.272 ( 2.585 0.000 -2.275) 3.443 30.272 ( 2.585 0.000 2.275) 3.443 31.256 ( 6.773 0.000 -1.216) 6.881 31.256 ( 6.773 0.000 1.216) 6.881 31.776 ( 10.526 0.000 -8.035) 13.242 31.776 ( 10.526 0.000 8.035) 13.242 33.562 ( -40.156 -0.000 -30.478) 50.413 33.562 ( -40.156 -0.000 30.478) 50.413 ======================= Grid point 331 (96/100) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 13.712 -1.674 -8.023) 15.975 3.320 ( 13.712 -1.674 8.023) 15.975 3.601 ( 18.404 -2.228 -8.298) 20.310 3.601 ( 18.404 -2.228 8.298) 20.310 4.259 ( -11.939 7.057 -1.415) 13.941 4.259 ( -11.939 7.057 1.415) 13.941 4.401 ( -5.073 -0.564 -6.267) 8.082 4.401 ( -5.073 -0.564 6.267) 8.082 4.688 ( -7.997 5.430 -10.568) 14.322 4.688 ( -7.997 5.430 10.568) 14.322 4.941 ( -2.548 -2.210 -7.896) 8.586 4.941 ( -2.548 -2.210 7.896) 8.586 5.753 ( 6.180 -0.049 -7.138) 9.442 5.753 ( 6.180 -0.049 7.138) 9.442 5.807 ( 8.988 -0.621 -12.982) 15.802 5.807 ( 8.988 -0.621 12.982) 15.802 6.085 ( 0.738 -3.511 -5.053) 6.197 6.085 ( 0.738 -3.511 5.053) 6.197 6.396 ( -2.099 -6.466 -1.412) 6.943 6.396 ( -2.099 -6.466 1.412) 6.943 7.182 ( -0.143 -4.593 -20.479) 20.988 7.182 ( -0.143 -4.593 20.479) 20.988 7.305 ( -5.828 -4.061 -0.833) 7.152 7.305 ( -5.828 -4.061 0.833) 7.152 7.642 ( 5.741 2.214 -12.741) 14.149 7.642 ( 5.741 2.214 12.741) 14.149 8.349 ( 2.529 0.622 -10.830) 11.139 8.349 ( 2.529 0.622 10.830) 11.139 8.539 ( 2.222 -0.635 -4.501) 5.060 8.539 ( 2.222 -0.635 4.501) 5.060 8.733 ( 0.016 3.426 -12.910) 13.357 8.733 ( 0.016 3.426 12.910) 13.357 8.878 ( -1.335 -1.577 -12.279) 12.452 8.878 ( -1.335 -1.577 12.279) 12.452 10.003 ( -13.673 3.839 -3.106) 14.537 10.003 ( -13.673 3.839 3.106) 14.537 11.005 ( -7.384 3.281 -6.563) 10.410 11.005 ( -7.384 3.281 6.563) 10.410 11.162 ( -5.422 -4.512 -2.688) 7.548 11.162 ( -5.422 -4.512 2.688) 7.548 11.610 ( -1.496 4.901 -9.087) 10.432 11.610 ( -1.496 4.901 9.087) 10.432 11.969 ( 0.889 -0.609 -12.085) 12.133 11.969 ( 0.889 -0.609 12.085) 12.133 12.135 ( 1.376 5.801 -20.046) 20.913 12.135 ( 1.376 5.801 20.046) 20.913 12.790 ( 3.609 1.806 -30.539) 30.805 12.790 ( 3.609 1.806 30.539) 30.805 14.913 ( 4.822 -6.000 -16.408) 18.123 14.913 ( 4.822 -6.000 16.408) 18.123 15.194 ( 1.966 -0.688 -16.408) 16.540 15.194 ( 1.966 -0.688 16.408) 16.540 16.375 ( 0.228 -3.119 -3.200) 4.475 16.375 ( 0.228 -3.119 3.200) 4.475 16.869 ( 2.573 1.458 -1.761) 3.442 16.869 ( 2.573 1.458 1.761) 3.442 18.394 ( 1.732 -0.196 -3.758) 4.143 18.394 ( 1.732 -0.196 3.758) 4.143 19.114 ( -5.133 -1.098 -7.269) 8.966 19.114 ( -5.133 -1.098 7.269) 8.966 19.310 ( -1.565 3.998 -12.209) 12.942 19.310 ( -1.565 3.998 12.209) 12.942 19.772 ( -3.500 1.223 -0.192) 3.713 19.772 ( -3.500 1.223 0.192) 3.713 20.783 ( 0.651 1.190 -2.321) 2.688 20.783 ( 0.651 1.190 2.321) 2.688 21.123 ( 3.081 -2.416 -10.485) 11.192 21.123 ( 3.081 -2.416 10.485) 11.192 24.403 ( 0.026 -0.001 -0.446) 0.447 24.403 ( 0.026 -0.001 0.446) 0.447 25.268 ( 3.525 -4.672 -2.383) 6.319 25.268 ( 3.525 -4.672 2.383) 6.319 25.886 ( 1.985 0.717 -15.339) 15.484 25.886 ( 1.985 0.717 15.339) 15.484 27.180 ( 1.680 1.605 -0.111) 2.326 27.180 ( 1.680 1.605 0.111) 2.326 27.334 ( -2.467 0.362 -17.302) 17.480 27.334 ( -2.467 0.362 17.302) 17.480 29.487 ( -1.203 -4.456 -7.294) 8.631 29.487 ( -1.203 -4.456 7.294) 8.631 29.819 ( 4.854 1.562 -7.943) 9.439 29.819 ( 4.854 1.562 7.943) 9.439 30.251 ( 1.129 4.290 -3.850) 5.874 30.251 ( 1.129 4.290 3.850) 5.874 31.369 ( 5.110 -5.912 -1.998) 8.066 31.369 ( 5.110 -5.912 1.998) 8.066 31.897 ( 11.390 -1.050 -9.927) 15.145 31.897 ( 11.390 -1.050 9.927) 15.145 33.123 ( -30.915 8.633 -29.888) 43.858 33.123 ( -30.915 8.633 29.888) 43.858 ======================= Grid point 333 (97/100) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 6.668 -0.136 -7.515) 10.047 3.443 ( 6.668 -0.136 7.515) 10.047 3.779 ( 8.387 -2.360 -5.736) 10.431 3.779 ( 8.387 -2.360 5.736) 10.431 4.047 ( -7.189 5.161 -4.394) 9.880 4.047 ( -7.189 5.161 4.394) 9.880 4.406 ( 4.171 -0.769 -8.287) 9.309 4.406 ( 4.171 -0.769 8.287) 9.309 4.552 ( -7.077 1.484 -7.628) 10.510 4.552 ( -7.077 1.484 7.628) 10.510 4.938 ( -1.475 0.286 -7.902) 8.044 4.938 ( -1.475 0.286 7.902) 8.044 5.796 ( 4.475 0.919 -3.083) 5.512 5.796 ( 4.475 0.919 3.083) 5.512 5.874 ( 1.501 -1.397 -9.587) 9.804 5.874 ( 1.501 -1.397 9.587) 9.804 6.088 ( 0.492 3.533 -8.356) 9.085 6.088 ( 0.492 3.533 8.356) 9.085 6.562 ( -1.712 -12.572 -10.684) 16.587 6.562 ( -1.712 -12.572 10.684) 16.587 7.290 ( 0.959 -7.029 -16.312) 17.788 7.290 ( 0.959 -7.029 16.312) 17.788 7.358 ( -1.521 -5.975 -4.105) 7.407 7.358 ( -1.521 -5.975 4.105) 7.407 7.614 ( 1.200 4.513 -3.560) 5.872 7.614 ( 1.200 4.513 3.560) 5.872 8.368 ( 2.328 -0.886 -12.776) 13.017 8.368 ( 2.328 -0.886 12.776) 13.017 8.548 ( -1.717 1.668 -14.074) 14.276 8.548 ( -1.717 1.668 14.074) 14.276 8.670 ( -0.367 2.286 -21.488) 21.613 8.670 ( -0.367 2.286 21.488) 21.613 8.865 ( -1.685 1.209 -10.535) 10.737 8.865 ( -1.685 1.209 10.535) 10.737 9.867 ( -3.955 1.843 -5.275) 6.846 9.867 ( -3.955 1.843 5.275) 6.846 10.894 ( -3.715 2.643 -7.253) 8.567 10.894 ( -3.715 2.643 7.253) 8.567 11.227 ( -0.079 -5.866 -0.638) 5.901 11.227 ( -0.079 -5.866 0.638) 5.901 11.444 ( -2.369 11.619 -9.884) 15.437 11.444 ( -2.369 11.619 9.884) 15.437 11.993 ( 1.389 -1.096 -8.787) 8.963 11.993 ( 1.389 -1.096 8.787) 8.963 12.067 ( -0.096 2.585 -14.856) 15.080 12.067 ( -0.096 2.585 14.856) 15.080 12.779 ( 1.838 2.275 -30.785) 30.923 12.779 ( 1.838 2.275 30.785) 30.923 15.076 ( 6.007 -5.275 -8.116) 11.392 15.076 ( 6.007 -5.275 8.116) 11.392 15.197 ( -3.762 -1.234 -11.107) 11.792 15.197 ( -3.762 -1.234 11.107) 11.792 16.445 ( 0.379 -4.316 -3.424) 5.523 16.445 ( 0.379 -4.316 3.424) 5.523 16.852 ( 1.216 2.670 -2.872) 4.105 16.852 ( 1.216 2.670 2.872) 4.105 18.408 ( 0.495 -0.157 -3.264) 3.305 18.408 ( 0.495 -0.157 3.264) 3.305 19.113 ( -0.953 -2.318 -4.019) 4.736 19.113 ( -0.953 -2.318 4.019) 4.736 19.212 ( -1.840 5.048 -7.561) 9.276 19.212 ( -1.840 5.048 7.561) 9.276 19.723 ( -1.757 1.203 -0.141) 2.134 19.723 ( -1.757 1.203 0.141) 2.134 20.756 ( 0.401 2.525 -2.008) 3.251 20.756 ( 0.401 2.525 2.008) 3.251 21.198 ( 1.411 -3.366 -8.816) 9.542 21.198 ( 1.411 -3.366 8.816) 9.542 24.403 ( 0.019 0.020 -0.652) 0.652 24.403 ( 0.019 0.020 0.652) 0.652 25.405 ( 2.219 -7.622 -3.370) 8.625 25.405 ( 2.219 -7.622 3.370) 8.625 25.869 ( 0.008 2.449 -14.667) 14.870 25.869 ( 0.008 2.449 14.667) 14.870 27.147 ( 0.445 3.159 -2.553) 4.086 27.147 ( 0.445 3.159 2.553) 4.086 27.317 ( -1.103 -0.496 -16.869) 16.912 27.317 ( -1.103 -0.496 16.869) 16.912 29.564 ( -0.177 -4.075 -7.289) 8.352 29.564 ( -0.177 -4.075 7.289) 8.352 29.820 ( 2.808 2.667 -8.676) 9.501 29.820 ( 2.808 2.667 8.676) 9.501 30.179 ( -0.654 3.139 -6.050) 6.847 30.179 ( -0.654 3.139 6.050) 6.847 31.523 ( 3.429 -5.580 -1.810) 6.795 31.523 ( 3.429 -5.580 1.810) 6.795 32.034 ( 7.757 -4.454 -11.268) 14.387 32.034 ( 7.757 -4.454 11.268) 14.387 32.708 ( -16.690 11.543 -27.541) 34.210 32.708 ( -16.690 11.543 27.541) 34.210 ======================= Grid point 335 (98/100) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 0.000 1.443 -5.307) 5.500 3.456 ( 0.000 1.443 5.307) 5.500 3.844 ( -0.000 -0.562 -1.085) 1.222 3.844 ( -0.000 -0.562 1.085) 1.222 3.955 ( 0.000 2.216 -3.103) 3.813 3.955 ( 0.000 2.216 3.103) 3.813 4.472 ( -0.000 -1.498 -4.093) 4.359 4.472 ( -0.000 -1.498 4.093) 4.359 4.516 ( -0.000 -3.224 -10.641) 11.119 4.516 ( -0.000 -3.224 10.641) 11.119 4.905 ( 0.000 2.630 -5.616) 6.202 4.905 ( 0.000 2.630 5.616) 6.202 5.819 ( -0.000 -1.269 -0.631) 1.417 5.819 ( -0.000 -1.269 0.631) 1.417 5.877 ( 0.000 2.093 -11.803) 11.988 5.877 ( 0.000 2.093 11.803) 11.988 6.040 ( 0.000 1.011 -8.192) 8.254 6.040 ( 0.000 1.011 8.192) 8.254 6.673 ( 0.000 0.282 -12.352) 12.355 6.673 ( 0.000 0.282 12.352) 12.355 7.432 ( -0.000 -8.120 -6.813) 10.599 7.432 ( -0.000 -8.120 6.813) 10.599 7.448 ( -0.000 -4.206 -7.320) 8.442 7.448 ( -0.000 -4.206 7.320) 8.442 7.551 ( 0.000 1.951 -7.224) 7.483 7.551 ( 0.000 1.951 7.224) 7.483 8.450 ( 0.000 6.046 -11.810) 13.268 8.450 ( 0.000 6.046 11.810) 13.268 8.450 ( -0.000 -7.024 -19.610) 20.830 8.450 ( -0.000 -7.024 19.610) 20.830 8.657 ( 0.000 0.294 -17.209) 17.211 8.657 ( 0.000 0.294 17.209) 17.211 8.803 ( 0.000 5.126 -6.692) 8.429 8.803 ( 0.000 5.126 6.692) 8.429 9.847 ( -0.000 -1.194 -7.167) 7.265 9.847 ( -0.000 -1.194 7.167) 7.265 10.856 ( -0.000 -0.323 -7.027) 7.035 10.856 ( -0.000 -0.323 7.027) 7.035 11.196 ( 0.000 12.916 -10.685) 16.763 11.196 ( 0.000 12.916 10.685) 16.763 11.365 ( -0.000 -8.355 -3.529) 9.069 11.365 ( -0.000 -8.355 3.529) 9.069 12.032 ( 0.000 1.078 -13.969) 14.011 12.032 ( 0.000 1.078 13.969) 14.011 12.037 ( -0.000 -2.510 -11.013) 11.295 12.037 ( -0.000 -2.510 11.013) 11.295 12.758 ( 0.000 1.256 -30.569) 30.595 12.758 ( 0.000 1.256 30.569) 30.595 15.100 ( 0.000 4.670 -16.903) 17.537 15.100 ( 0.000 4.670 16.903) 17.537 15.256 ( -0.000 -6.487 -13.664) 15.125 15.256 ( -0.000 -6.487 13.664) 15.125 16.516 ( -0.000 -3.304 -3.482) 4.800 16.516 ( -0.000 -3.304 3.482) 4.800 16.804 ( 0.000 3.422 -3.776) 5.096 16.804 ( 0.000 3.422 3.776) 5.096 18.412 ( -0.000 -0.071 -2.433) 2.434 18.412 ( -0.000 -0.071 2.433) 2.434 19.105 ( 0.000 4.844 -4.106) 6.350 19.105 ( 0.000 4.844 4.106) 6.350 19.182 ( -0.000 -4.860 -1.101) 4.983 19.182 ( -0.000 -4.860 1.101) 4.983 19.705 ( -0.000 -0.195 -0.224) 0.297 19.705 ( -0.000 -0.195 0.224) 0.297 20.711 ( 0.000 2.698 -2.099) 3.418 20.711 ( 0.000 2.698 2.099) 3.418 21.253 ( -0.000 -1.985 -7.129) 7.400 21.253 ( -0.000 -1.985 7.129) 7.400 24.402 ( 0.000 0.072 -0.545) 0.550 24.402 ( 0.000 0.072 0.545) 0.550 25.551 ( -0.000 -7.390 -8.684) 11.403 25.551 ( -0.000 -7.390 8.684) 11.403 25.807 ( 0.000 4.319 -13.455) 14.132 25.807 ( 0.000 4.319 13.455) 14.132 27.099 ( 0.000 2.164 -5.987) 6.366 27.099 ( 0.000 2.164 5.987) 6.366 27.324 ( -0.000 -0.743 -13.833) 13.853 27.324 ( -0.000 -0.743 13.833) 13.853 29.587 ( 0.000 1.529 -6.264) 6.448 29.587 ( 0.000 1.529 6.264) 6.448 29.783 ( 0.000 3.187 -8.911) 9.464 29.783 ( 0.000 3.187 8.911) 9.464 30.172 ( -0.000 -2.989 -7.349) 7.934 30.172 ( -0.000 -2.989 7.349) 7.934 31.572 ( 0.000 2.375 -1.061) 2.601 31.572 ( 0.000 2.375 1.061) 2.601 32.242 ( -0.000 -15.984 -17.220) 23.495 32.242 ( -0.000 -15.984 17.220) 23.495 32.416 ( 0.000 12.922 -24.855) 28.013 32.416 ( 0.000 12.922 24.855) 28.013 ======================= Grid point 351 (99/100) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 8.999 0.000 -1.818) 9.180 3.421 ( 8.999 0.000 1.818) 9.180 3.751 ( 12.665 0.000 -3.339) 13.098 3.751 ( 12.665 0.000 3.339) 13.098 4.195 ( -11.304 -0.000 -7.248) 13.428 4.195 ( -11.304 -0.000 7.248) 13.428 4.403 ( 5.523 0.000 -11.394) 12.662 4.403 ( 5.523 0.000 11.394) 12.662 4.632 ( -13.110 -0.000 -16.662) 21.201 4.632 ( -13.110 -0.000 16.662) 21.201 4.906 ( 0.076 0.000 -12.014) 12.015 4.906 ( 0.076 0.000 12.014) 12.015 5.803 ( 4.344 0.000 -5.915) 7.339 5.803 ( 4.344 0.000 5.915) 7.339 5.876 ( 2.562 0.000 -2.651) 3.687 5.876 ( 2.562 0.000 2.651) 3.687 6.072 ( 8.964 0.000 -2.479) 9.300 6.072 ( 8.964 0.000 2.479) 9.300 6.299 ( -8.524 -0.000 -2.866) 8.993 6.299 ( -8.524 -0.000 2.866) 8.993 7.144 ( 1.127 0.000 -16.181) 16.221 7.144 ( 1.127 0.000 16.181) 16.221 7.207 ( -4.995 -0.000 -6.662) 8.327 7.207 ( -4.995 -0.000 6.662) 8.327 7.716 ( 3.993 0.000 -16.613) 17.086 7.716 ( 3.993 0.000 16.613) 17.086 8.373 ( 0.899 0.000 -5.983) 6.050 8.373 ( 0.899 0.000 5.983) 6.050 8.549 ( 0.731 0.000 -3.030) 3.116 8.549 ( 0.731 0.000 3.030) 3.116 8.758 ( -0.898 -0.000 -18.354) 18.376 8.758 ( -0.898 -0.000 18.354) 18.376 8.865 ( 0.469 0.000 -10.261) 10.271 8.865 ( 0.469 0.000 10.261) 10.271 9.926 ( -7.291 -0.000 -1.478) 7.439 9.926 ( -7.291 -0.000 1.478) 7.439 10.980 ( -4.690 -0.000 -0.625) 4.732 10.980 ( -4.690 -0.000 0.625) 4.732 11.073 ( -2.364 -0.000 -5.021) 5.549 11.073 ( -2.364 -0.000 5.021) 5.549 11.640 ( -0.409 -0.000 -8.617) 8.627 11.640 ( -0.409 -0.000 8.617) 8.627 11.968 ( 0.374 0.000 -11.942) 11.948 11.968 ( 0.374 0.000 11.942) 11.948 12.205 ( 0.517 0.000 -22.571) 22.577 12.205 ( 0.517 0.000 22.571) 22.577 12.836 ( 1.992 0.000 -33.475) 33.534 12.836 ( 1.992 0.000 33.475) 33.534 14.886 ( 2.227 0.000 -19.575) 19.701 14.886 ( 2.227 0.000 19.575) 19.701 15.215 ( 1.685 0.000 -20.978) 21.046 15.215 ( 1.685 0.000 20.978) 21.046 16.347 ( -0.036 -0.000 -3.481) 3.482 16.347 ( -0.036 -0.000 3.481) 3.482 16.902 ( 1.459 0.000 -1.782) 2.303 16.902 ( 1.459 0.000 1.782) 2.303 18.408 ( 1.037 0.000 -4.013) 4.144 18.408 ( 1.037 0.000 4.013) 4.144 19.060 ( -3.057 -0.000 -7.924) 8.493 19.060 ( -3.057 -0.000 7.924) 8.493 19.335 ( -0.870 -0.000 -13.024) 13.053 19.335 ( -0.870 -0.000 13.024) 13.053 19.756 ( -1.922 -0.000 -0.151) 1.928 19.756 ( -1.922 -0.000 0.151) 1.928 20.800 ( 0.653 0.000 -2.291) 2.382 20.800 ( 0.653 0.000 2.291) 2.382 21.126 ( 1.622 0.000 -11.802) 11.913 21.126 ( 1.622 0.000 11.802) 11.913 24.403 ( 0.009 0.000 -0.188) 0.188 24.403 ( 0.009 0.000 0.188) 0.188 25.254 ( 1.922 0.000 -3.974) 4.414 25.254 ( 1.922 0.000 3.974) 4.414 25.909 ( 1.110 0.000 -16.225) 16.262 25.909 ( 1.110 0.000 16.225) 16.262 27.213 ( 1.706 0.000 -0.420) 1.757 27.213 ( 1.706 0.000 0.420) 1.757 27.313 ( -2.239 -0.000 -19.133) 19.264 27.313 ( -2.239 -0.000 19.133) 19.264 29.433 ( -0.846 -0.000 -6.397) 6.453 29.433 ( -0.846 -0.000 6.397) 6.453 29.870 ( 2.687 0.000 -9.146) 9.533 29.870 ( 2.687 0.000 9.146) 9.533 30.309 ( 0.999 0.000 -4.025) 4.147 30.309 ( 0.999 0.000 4.025) 4.147 31.346 ( 2.302 0.000 -1.945) 3.013 31.346 ( 2.302 0.000 1.945) 3.013 32.011 ( 10.803 0.000 -12.214) 16.306 32.011 ( 10.803 0.000 12.214) 16.306 32.926 ( -21.283 -0.000 -29.475) 36.356 32.926 ( -21.283 -0.000 29.475) 36.356 ======================= Grid point 353 (100/100) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -0.000 -0.720 -4.886) 4.938 3.477 ( -0.000 -0.720 4.886) 4.938 3.814 ( 0.000 0.106 -5.066) 5.067 3.814 ( 0.000 0.106 5.066) 5.067 4.086 ( 0.000 4.741 -11.384) 12.332 4.086 ( 0.000 4.741 11.384) 12.332 4.473 ( -0.000 -0.106 -10.552) 10.552 4.473 ( -0.000 -0.106 10.552) 10.552 4.495 ( 0.000 2.509 -15.310) 15.514 4.495 ( 0.000 2.509 15.310) 15.514 4.921 ( -0.000 -1.174 -11.341) 11.402 4.921 ( -0.000 -1.174 11.341) 11.402 5.844 ( -0.000 -1.634 -7.787) 7.956 5.844 ( -0.000 -1.634 7.787) 7.956 5.859 ( 0.000 2.061 -1.881) 2.791 5.859 ( 0.000 2.061 1.881) 2.791 6.174 ( 0.000 4.273 -5.738) 7.154 6.174 ( 0.000 4.273 5.738) 7.154 6.294 ( -0.000 -13.789 -13.414) 19.237 6.294 ( -0.000 -13.789 13.414) 19.237 7.205 ( -0.000 -3.857 -19.619) 19.995 7.205 ( -0.000 -3.857 19.619) 19.995 7.223 ( -0.000 -6.523 -4.811) 8.105 7.223 ( -0.000 -6.523 4.811) 8.105 7.703 ( 0.000 3.748 -13.099) 13.624 7.703 ( 0.000 3.748 13.099) 13.624 8.374 ( 0.000 0.199 -8.271) 8.274 8.374 ( 0.000 0.199 8.271) 8.274 8.554 ( -0.000 -0.108 -10.600) 10.601 8.554 ( -0.000 -0.108 10.600) 10.601 8.723 ( 0.000 3.274 -22.672) 22.907 8.723 ( 0.000 3.274 22.672) 22.907 8.868 ( 0.000 0.019 -11.386) 11.386 8.868 ( 0.000 0.019 11.386) 11.386 9.876 ( 0.000 1.620 -3.025) 3.431 9.876 ( 0.000 1.620 3.025) 3.431 10.923 ( 0.000 2.932 -6.546) 7.173 10.923 ( 0.000 2.932 6.546) 7.173 11.116 ( -0.000 -5.369 -4.428) 6.959 11.116 ( -0.000 -5.369 4.428) 6.959 11.595 ( 0.000 5.637 -8.957) 10.583 11.595 ( 0.000 5.637 8.957) 10.583 11.977 ( -0.000 -0.859 -11.367) 11.399 11.977 ( -0.000 -0.859 11.367) 11.399 12.149 ( 0.000 5.574 -21.644) 22.350 12.149 ( 0.000 5.574 21.644) 22.350 12.827 ( 0.000 1.986 -32.835) 32.895 12.827 ( 0.000 1.986 32.835) 32.895 14.965 ( -0.000 -7.334 -18.566) 19.962 14.965 ( -0.000 -7.334 18.566) 19.962 15.209 ( 0.000 1.647 -21.108) 21.173 15.209 ( 0.000 1.647 21.108) 21.173 16.377 ( -0.000 -3.334 -3.498) 4.833 16.377 ( -0.000 -3.334 3.498) 4.833 16.896 ( 0.000 1.557 -2.260) 2.744 16.896 ( 0.000 1.557 2.260) 2.744 18.411 ( 0.000 0.145 -3.854) 3.856 18.411 ( 0.000 0.145 3.854) 3.856 19.061 ( -0.000 -1.903 -6.874) 7.133 19.061 ( -0.000 -1.903 6.874) 7.133 19.294 ( 0.000 4.144 -11.238) 11.978 19.294 ( 0.000 4.144 11.238) 11.978 19.736 ( 0.000 1.141 -0.222) 1.163 19.736 ( 0.000 1.141 0.222) 1.163 20.792 ( 0.000 1.335 -2.084) 2.475 20.792 ( 0.000 1.335 2.084) 2.475 21.154 ( -0.000 -2.314 -10.954) 11.195 21.154 ( -0.000 -2.314 10.954) 11.195 24.403 ( -0.000 -0.008 -0.465) 0.465 24.403 ( -0.000 -0.008 0.465) 0.465 25.306 ( -0.000 -4.769 -2.439) 5.356 25.306 ( -0.000 -4.769 2.439) 5.356 25.903 ( 0.000 1.303 -16.051) 16.104 25.903 ( 0.000 1.303 16.051) 16.104 27.201 ( 0.000 2.419 -1.168) 2.686 27.201 ( 0.000 2.419 1.168) 2.686 27.303 ( -0.000 -0.321 -19.768) 19.771 27.303 ( -0.000 -0.321 19.768) 19.771 29.474 ( -0.000 -4.812 -6.597) 8.166 29.474 ( -0.000 -4.812 6.597) 8.166 29.871 ( 0.000 1.493 -9.437) 9.554 29.871 ( 0.000 1.493 9.437) 9.554 30.262 ( 0.000 5.243 -5.176) 7.368 30.262 ( 0.000 5.243 5.176) 7.368 31.420 ( -0.000 -6.543 -2.516) 7.010 31.420 ( -0.000 -6.543 2.516) 7.010 32.064 ( 0.000 0.621 -12.039) 12.055 32.064 ( 0.000 0.621 12.039) 12.055 32.761 ( 0.000 5.920 -28.745) 29.348 32.761 ( 0.000 5.920 28.745) 29.348 =================== 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 3/43740 10.0 18715.144 14705.923 10401.573 0.000 0.000 0.000 3/43740 20.0 4447.448 4295.376 5168.129 0.000 0.000 0.000 3/43740 30.0 857.477 892.045 1127.159 0.000 0.000 0.000 3/43740 40.0 285.267 306.133 384.977 0.000 0.000 0.000 3/43740 50.0 135.785 148.432 185.771 0.000 0.000 0.000 3/43740 60.0 79.870 88.254 110.346 0.000 0.000 0.000 3/43740 70.0 53.594 59.586 74.636 0.000 0.000 0.000 3/43740 80.0 39.231 43.767 55.009 0.000 0.000 0.000 3/43740 90.0 30.505 34.092 43.029 0.000 0.000 0.000 3/43740 100.0 24.777 27.712 35.131 0.000 0.000 0.000 3/43740 110.0 20.787 23.255 29.610 0.000 0.000 0.000 3/43740 120.0 17.878 19.998 25.569 0.000 0.000 0.000 3/43740 130.0 15.676 17.530 22.500 0.000 0.000 0.000 3/43740 140.0 13.957 15.602 20.098 0.000 0.000 0.000 3/43740 150.0 12.582 14.059 18.171 0.000 0.000 0.000 3/43740 160.0 11.459 12.798 16.593 0.000 0.000 0.000 3/43740 170.0 10.524 11.750 15.277 0.000 0.000 0.000 3/43740 180.0 9.735 10.864 14.163 0.000 0.000 0.000 3/43740 190.0 9.060 10.107 13.209 0.000 0.000 0.000 3/43740 200.0 8.475 9.452 12.381 0.000 0.000 0.000 3/43740 210.0 7.964 8.880 11.656 0.000 0.000 0.000 3/43740 220.0 7.514 8.376 11.016 0.000 0.000 0.000 3/43740 230.0 7.114 7.928 10.447 0.000 0.000 0.000 3/43740 240.0 6.756 7.528 9.937 0.000 0.000 0.000 3/43740 250.0 6.434 7.168 9.478 0.000 0.000 0.000 3/43740 260.0 6.143 6.843 9.062 0.000 0.000 0.000 3/43740 270.0 5.878 6.547 8.683 0.000 0.000 0.000 3/43740 280.0 5.636 6.278 8.336 0.000 0.000 0.000 3/43740 290.0 5.414 6.030 8.018 0.000 0.000 0.000 3/43740 300.0 5.210 5.803 7.725 0.000 0.000 0.000 3/43740 310.0 5.022 5.593 7.454 0.000 0.000 0.000 3/43740 320.0 4.847 5.398 7.203 0.000 0.000 0.000 3/43740 330.0 4.685 5.218 6.969 0.000 0.000 0.000 3/43740 340.0 4.533 5.049 6.751 0.000 0.000 0.000 3/43740 350.0 4.392 4.892 6.547 0.000 0.000 0.000 3/43740 360.0 4.260 4.745 6.356 0.000 0.000 0.000 3/43740 370.0 4.136 4.607 6.177 0.000 0.000 0.000 3/43740 380.0 4.019 4.477 6.008 0.000 0.000 0.000 3/43740 390.0 3.909 4.355 5.848 0.000 0.000 0.000 3/43740 400.0 3.805 4.240 5.698 0.000 0.000 0.000 3/43740 410.0 3.707 4.130 5.555 0.000 0.000 0.000 3/43740 420.0 3.614 4.027 5.420 0.000 0.000 0.000 3/43740 430.0 3.526 3.929 5.291 0.000 0.000 0.000 3/43740 440.0 3.442 3.836 5.169 0.000 0.000 0.000 3/43740 450.0 3.362 3.747 5.053 0.000 0.000 0.000 3/43740 460.0 3.286 3.663 4.942 0.000 0.000 0.000 3/43740 470.0 3.214 3.583 4.836 0.000 0.000 0.000 3/43740 480.0 3.144 3.506 4.735 0.000 0.000 0.000 3/43740 490.0 3.078 3.432 4.639 0.000 0.000 0.000 3/43740 500.0 3.015 3.362 4.546 0.000 0.000 0.000 3/43740 510.0 2.954 3.295 4.457 0.000 0.000 0.000 3/43740 520.0 2.896 3.230 4.372 0.000 0.000 0.000 3/43740 530.0 2.840 3.168 4.290 0.000 0.000 0.000 3/43740 540.0 2.787 3.108 4.211 0.000 0.000 0.000 3/43740 550.0 2.735 3.051 4.135 0.000 0.000 0.000 3/43740 560.0 2.685 2.996 4.062 0.000 0.000 0.000 3/43740 570.0 2.637 2.943 3.991 0.000 0.000 0.000 3/43740 580.0 2.591 2.892 3.923 0.000 0.000 0.000 3/43740 590.0 2.547 2.842 3.858 0.000 0.000 0.000 3/43740 600.0 2.504 2.794 3.795 0.000 0.000 0.000 3/43740 610.0 2.463 2.748 3.733 0.000 0.000 0.000 3/43740 620.0 2.422 2.704 3.674 0.000 0.000 0.000 3/43740 630.0 2.384 2.661 3.617 0.000 0.000 0.000 3/43740 640.0 2.346 2.619 3.561 0.000 0.000 0.000 3/43740 650.0 2.310 2.579 3.508 0.000 0.000 0.000 3/43740 660.0 2.275 2.540 3.455 0.000 0.000 0.000 3/43740 670.0 2.241 2.502 3.405 0.000 0.000 0.000 3/43740 680.0 2.208 2.465 3.356 0.000 0.000 0.000 3/43740 690.0 2.176 2.429 3.308 0.000 0.000 0.000 3/43740 700.0 2.144 2.395 3.262 0.000 0.000 0.000 3/43740 710.0 2.114 2.361 3.217 0.000 0.000 0.000 3/43740 720.0 2.085 2.329 3.173 0.000 0.000 0.000 3/43740 730.0 2.056 2.297 3.131 0.000 0.000 0.000 3/43740 740.0 2.028 2.266 3.089 0.000 0.000 0.000 3/43740 750.0 2.001 2.236 3.049 0.000 0.000 0.000 3/43740 760.0 1.975 2.207 3.010 0.000 0.000 0.000 3/43740 770.0 1.949 2.178 2.972 0.000 0.000 0.000 3/43740 780.0 1.925 2.150 2.935 0.000 0.000 0.000 3/43740 790.0 1.900 2.123 2.898 0.000 0.000 0.000 3/43740 800.0 1.877 2.097 2.863 0.000 0.000 0.000 3/43740 810.0 1.853 2.071 2.828 0.000 0.000 0.000 3/43740 820.0 1.831 2.046 2.795 0.000 0.000 0.000 3/43740 830.0 1.809 2.022 2.762 0.000 0.000 0.000 3/43740 840.0 1.788 1.998 2.730 0.000 0.000 0.000 3/43740 850.0 1.767 1.975 2.698 0.000 0.000 0.000 3/43740 860.0 1.746 1.952 2.668 0.000 0.000 0.000 3/43740 870.0 1.726 1.930 2.638 0.000 0.000 0.000 3/43740 880.0 1.707 1.908 2.609 0.000 0.000 0.000 3/43740 890.0 1.688 1.887 2.580 0.000 0.000 0.000 3/43740 900.0 1.669 1.866 2.552 0.000 0.000 0.000 3/43740 910.0 1.651 1.846 2.525 0.000 0.000 0.000 3/43740 920.0 1.633 1.826 2.498 0.000 0.000 0.000 3/43740 930.0 1.615 1.806 2.472 0.000 0.000 0.000 3/43740 940.0 1.598 1.787 2.446 0.000 0.000 0.000 3/43740 950.0 1.582 1.769 2.421 0.000 0.000 0.000 3/43740 960.0 1.565 1.750 2.396 0.000 0.000 0.000 3/43740 970.0 1.549 1.733 2.372 0.000 0.000 0.000 3/43740 980.0 1.533 1.715 2.349 0.000 0.000 0.000 3/43740 990.0 1.518 1.698 2.325 0.000 0.000 0.000 3/43740 1000.0 1.503 1.681 2.303 0.000 0.000 0.000 3/43740 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:02:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|