----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:10:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.210734260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): *1 P 0.99558720457235 0.20922313083366 0.43162458275556 30.974 2 P 0.49558720457235 0.29077686916634 0.56837541724444 30.974 3 P 0.00441279542765 0.70922313083366 0.06837541724444 30.974 4 P 0.50441279542765 0.79077686916634 0.93162458275556 30.974 5 P 0.00441279542765 0.79077686916634 0.56837541724444 30.974 6 P 0.50441279542765 0.70922313083366 0.43162458275556 30.974 7 P 0.99558720457235 0.29077686916634 0.93162458275556 30.974 8 P 0.49558720457235 0.20922313083366 0.06837541724444 30.974 *9 P 0.06235312316657 0.28117542547574 0.23586432628751 30.974 10 P 0.56235312316657 0.21882457452426 0.76413567371249 30.974 11 P 0.93764687683343 0.78117542547574 0.26413567371249 30.974 12 P 0.43764687683343 0.71882457452426 0.73586432628751 30.974 13 P 0.93764687683343 0.71882457452426 0.76413567371249 30.974 14 P 0.43764687683343 0.78117542547574 0.23586432628751 30.974 15 P 0.06235312316657 0.21882457452426 0.73586432628751 30.974 16 P 0.56235312316657 0.28117542547574 0.26413567371249 30.974 *17 P 0.18719184512431 0.94754339297633 0.23800435152188 30.974 18 P 0.68719184512430 0.55245660702367 0.76199564847812 30.974 19 P 0.81280815487570 0.44754339297633 0.26199564847812 30.974 20 P 0.31280815487570 0.05245660702367 0.73800435152188 30.974 21 P 0.81280815487570 0.05245660702367 0.76199564847812 30.974 22 P 0.31280815487570 0.44754339297633 0.23800435152188 30.974 23 P 0.18719184512431 0.55245660702367 0.73800435152188 30.974 24 P 0.68719184512430 0.94754339297633 0.26199564847812 30.974 *25 P 0.75312781981325 0.04378243486127 0.08120839346560 30.974 26 P 0.25312781981325 0.45621756513873 0.91879160653440 30.974 27 P 0.24687218018675 0.54378243486127 0.41879160653440 30.974 28 P 0.74687218018675 0.95621756513873 0.58120839346560 30.974 29 P 0.24687218018675 0.95621756513873 0.91879160653440 30.974 30 P 0.74687218018675 0.54378243486127 0.08120839346560 30.974 31 P 0.75312781981325 0.45621756513873 0.58120839346560 30.974 32 P 0.25312781981325 0.04378243486127 0.41879160653440 30.974 *33 Re 0.62105085885872 0.10961525032800 0.42457291169590 186.207 34 Re 0.12105085885872 0.39038474967200 0.57542708830410 186.207 35 Re 0.37894914114128 0.60961525032800 0.07542708830410 186.207 36 Re 0.87894914114128 0.89038474967200 0.92457291169590 186.207 37 Re 0.37894914114128 0.89038474967200 0.57542708830410 186.207 38 Re 0.87894914114128 0.60961525032800 0.42457291169590 186.207 39 Re 0.62105085885872 0.39038474967200 0.92457291169590 186.207 40 Re 0.12105085885872 0.10961525032800 0.07542708830410 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.210734260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): *1 P 0.99558720457235 0.20922313083366 0.43162458275556 30.974 > 1 2 P 0.49558720457235 0.29077686916634 0.56837541724444 30.974 > 2 3 P 0.00441279542765 0.70922313083366 0.06837541724444 30.974 > 3 4 P 0.50441279542765 0.79077686916634 0.93162458275556 30.974 > 4 5 P 0.00441279542765 0.79077686916634 0.56837541724444 30.974 > 5 6 P 0.50441279542765 0.70922313083366 0.43162458275556 30.974 > 6 7 P 0.99558720457235 0.29077686916634 0.93162458275556 30.974 > 7 8 P 0.49558720457235 0.20922313083366 0.06837541724444 30.974 > 8 *9 P 0.06235312316657 0.28117542547574 0.23586432628751 30.974 > 9 10 P 0.56235312316657 0.21882457452426 0.76413567371249 30.974 > 10 11 P 0.93764687683343 0.78117542547574 0.26413567371249 30.974 > 11 12 P 0.43764687683343 0.71882457452426 0.73586432628751 30.974 > 12 13 P 0.93764687683343 0.71882457452426 0.76413567371249 30.974 > 13 14 P 0.43764687683343 0.78117542547574 0.23586432628751 30.974 > 14 15 P 0.06235312316657 0.21882457452426 0.73586432628751 30.974 > 15 16 P 0.56235312316657 0.28117542547574 0.26413567371249 30.974 > 16 *17 P 0.18719184512431 0.94754339297633 0.23800435152188 30.974 > 17 18 P 0.68719184512430 0.55245660702367 0.76199564847812 30.974 > 18 19 P 0.81280815487570 0.44754339297633 0.26199564847812 30.974 > 19 20 P 0.31280815487570 0.05245660702367 0.73800435152188 30.974 > 20 21 P 0.81280815487570 0.05245660702367 0.76199564847812 30.974 > 21 22 P 0.31280815487570 0.44754339297633 0.23800435152188 30.974 > 22 23 P 0.18719184512431 0.55245660702367 0.73800435152188 30.974 > 23 24 P 0.68719184512430 0.94754339297633 0.26199564847812 30.974 > 24 *25 P 0.75312781981325 0.04378243486127 0.08120839346560 30.974 > 25 26 P 0.25312781981325 0.45621756513873 0.91879160653440 30.974 > 26 27 P 0.24687218018675 0.54378243486127 0.41879160653440 30.974 > 27 28 P 0.74687218018675 0.95621756513873 0.58120839346560 30.974 > 28 29 P 0.24687218018675 0.95621756513873 0.91879160653440 30.974 > 29 30 P 0.74687218018675 0.54378243486127 0.08120839346560 30.974 > 30 31 P 0.75312781981325 0.45621756513873 0.58120839346560 30.974 > 31 32 P 0.25312781981325 0.04378243486127 0.41879160653440 30.974 > 32 *33 Re 0.62105085885872 0.10961525032800 0.42457291169590 186.207 > 33 34 Re 0.12105085885872 0.39038474967200 0.57542708830410 186.207 > 34 35 Re 0.37894914114128 0.60961525032800 0.07542708830410 186.207 > 35 36 Re 0.87894914114128 0.89038474967200 0.92457291169590 186.207 > 36 37 Re 0.37894914114128 0.89038474967200 0.57542708830410 186.207 > 37 38 Re 0.87894914114128 0.60961525032800 0.42457291169590 186.207 > 38 39 Re 0.62105085885872 0.39038474967200 0.92457291169590 186.207 > 39 40 Re 0.12105085885872 0.10961525032800 0.07542708830410 186.207 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.421468519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): *1 P 0.49779360228617 0.20922313083366 0.43162458275556 30.974 > 1 2 P 0.99779360228617 0.20922313083366 0.43162458275556 30.974 > 1 3 P 0.24779360228617 0.29077686916634 0.56837541724444 30.974 > 2 4 P 0.74779360228617 0.29077686916634 0.56837541724444 30.974 > 2 5 P 0.00220639771383 0.70922313083366 0.06837541724444 30.974 > 3 6 P 0.50220639771383 0.70922313083366 0.06837541724444 30.974 > 3 7 P 0.25220639771383 0.79077686916634 0.93162458275556 30.974 > 4 8 P 0.75220639771383 0.79077686916634 0.93162458275556 30.974 > 4 9 P 0.00220639771383 0.79077686916634 0.56837541724444 30.974 > 5 10 P 0.50220639771383 0.79077686916634 0.56837541724444 30.974 > 5 11 P 0.25220639771383 0.70922313083366 0.43162458275556 30.974 > 6 12 P 0.75220639771383 0.70922313083366 0.43162458275556 30.974 > 6 13 P 0.49779360228617 0.29077686916634 0.93162458275556 30.974 > 7 14 P 0.99779360228617 0.29077686916634 0.93162458275556 30.974 > 7 15 P 0.24779360228617 0.20922313083366 0.06837541724444 30.974 > 8 16 P 0.74779360228617 0.20922313083366 0.06837541724444 30.974 > 8 *17 P 0.03117656158329 0.28117542547574 0.23586432628751 30.974 > 9 18 P 0.53117656158329 0.28117542547574 0.23586432628751 30.974 > 9 19 P 0.28117656158329 0.21882457452426 0.76413567371249 30.974 > 10 20 P 0.78117656158329 0.21882457452426 0.76413567371249 30.974 > 10 21 P 0.46882343841671 0.78117542547574 0.26413567371249 30.974 > 11 22 P 0.96882343841671 0.78117542547574 0.26413567371249 30.974 > 11 23 P 0.21882343841671 0.71882457452426 0.73586432628751 30.974 > 12 24 P 0.71882343841671 0.71882457452426 0.73586432628751 30.974 > 12 25 P 0.46882343841671 0.71882457452426 0.76413567371249 30.974 > 13 26 P 0.96882343841671 0.71882457452426 0.76413567371249 30.974 > 13 27 P 0.21882343841671 0.78117542547574 0.23586432628751 30.974 > 14 28 P 0.71882343841671 0.78117542547574 0.23586432628751 30.974 > 14 29 P 0.03117656158329 0.21882457452426 0.73586432628751 30.974 > 15 30 P 0.53117656158329 0.21882457452426 0.73586432628751 30.974 > 15 31 P 0.28117656158329 0.28117542547574 0.26413567371249 30.974 > 16 32 P 0.78117656158329 0.28117542547574 0.26413567371249 30.974 > 16 *33 P 0.09359592256215 0.94754339297633 0.23800435152188 30.974 > 17 34 P 0.59359592256215 0.94754339297633 0.23800435152188 30.974 > 17 35 P 0.34359592256215 0.55245660702367 0.76199564847812 30.974 > 18 36 P 0.84359592256215 0.55245660702367 0.76199564847812 30.974 > 18 37 P 0.40640407743785 0.44754339297633 0.26199564847812 30.974 > 19 38 P 0.90640407743785 0.44754339297633 0.26199564847812 30.974 > 19 39 P 0.15640407743785 0.05245660702367 0.73800435152188 30.974 > 20 40 P 0.65640407743785 0.05245660702367 0.73800435152188 30.974 > 20 41 P 0.40640407743785 0.05245660702367 0.76199564847812 30.974 > 21 42 P 0.90640407743785 0.05245660702367 0.76199564847812 30.974 > 21 43 P 0.15640407743785 0.44754339297633 0.23800435152188 30.974 > 22 44 P 0.65640407743785 0.44754339297633 0.23800435152188 30.974 > 22 45 P 0.09359592256215 0.55245660702367 0.73800435152188 30.974 > 23 46 P 0.59359592256215 0.55245660702367 0.73800435152188 30.974 > 23 47 P 0.34359592256215 0.94754339297633 0.26199564847812 30.974 > 24 48 P 0.84359592256215 0.94754339297633 0.26199564847812 30.974 > 24 *49 P 0.37656390990662 0.04378243486127 0.08120839346560 30.974 > 25 50 P 0.87656390990662 0.04378243486127 0.08120839346560 30.974 > 25 51 P 0.12656390990662 0.45621756513873 0.91879160653440 30.974 > 26 52 P 0.62656390990662 0.45621756513873 0.91879160653440 30.974 > 26 53 P 0.12343609009338 0.54378243486127 0.41879160653440 30.974 > 27 54 P 0.62343609009338 0.54378243486127 0.41879160653440 30.974 > 27 55 P 0.37343609009338 0.95621756513873 0.58120839346560 30.974 > 28 56 P 0.87343609009338 0.95621756513873 0.58120839346560 30.974 > 28 57 P 0.12343609009338 0.95621756513873 0.91879160653440 30.974 > 29 58 P 0.62343609009338 0.95621756513873 0.91879160653440 30.974 > 29 59 P 0.37343609009338 0.54378243486127 0.08120839346560 30.974 > 30 60 P 0.87343609009338 0.54378243486127 0.08120839346560 30.974 > 30 61 P 0.37656390990662 0.45621756513873 0.58120839346560 30.974 > 31 62 P 0.87656390990662 0.45621756513873 0.58120839346560 30.974 > 31 63 P 0.12656390990662 0.04378243486127 0.41879160653440 30.974 > 32 64 P 0.62656390990662 0.04378243486127 0.41879160653440 30.974 > 32 *65 Re 0.31052542942936 0.10961525032800 0.42457291169590 186.207 > 33 66 Re 0.81052542942936 0.10961525032800 0.42457291169590 186.207 > 33 67 Re 0.06052542942936 0.39038474967200 0.57542708830410 186.207 > 34 68 Re 0.56052542942936 0.39038474967200 0.57542708830410 186.207 > 34 69 Re 0.18947457057064 0.60961525032800 0.07542708830410 186.207 > 35 70 Re 0.68947457057064 0.60961525032800 0.07542708830410 186.207 > 35 71 Re 0.43947457057064 0.89038474967200 0.92457291169590 186.207 > 36 72 Re 0.93947457057064 0.89038474967200 0.92457291169590 186.207 > 36 73 Re 0.18947457057064 0.89038474967200 0.57542708830410 186.207 > 37 74 Re 0.68947457057064 0.89038474967200 0.57542708830410 186.207 > 37 75 Re 0.43947457057064 0.60961525032800 0.42457291169590 186.207 > 38 76 Re 0.93947457057064 0.60961525032800 0.42457291169590 186.207 > 38 77 Re 0.31052542942936 0.39038474967200 0.92457291169590 186.207 > 39 78 Re 0.81052542942936 0.39038474967200 0.92457291169590 186.207 > 39 79 Re 0.06052542942936 0.10961525032800 0.07542708830410 186.207 > 40 80 Re 0.56052542942936 0.10961525032800 0.07542708830410 186.207 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.2889082 0.0000000 0.0000000 0.0000000 19.4634965 0.0000000 0.0000000 0.0000000 18.6013969 -------------------------- Born effective charges -------------------------- 1 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 2 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 3 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 4 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 5 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 6 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 7 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 8 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 9 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 10 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 11 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 12 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 13 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 14 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 15 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 16 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 17 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 18 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 19 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 20 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 21 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 22 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 23 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 24 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 25 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 26 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 27 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 28 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 29 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 30 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 31 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 32 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 33 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 34 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 35 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 36 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 37 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 38 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 39 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 40 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 640 - Time: 0.525 Solver_block: 200 / 640 - Time: 0.470 Solver_block: 300 / 640 - Time: 0.465 Solver_block: 400 / 640 - Time: 0.465 Solver_block: 500 / 640 - Time: 0.465 Solver_block: 600 / 640 - Time: 0.466 Solver_block: 640 / 640 - Time: 0.251 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.155 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:10:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:10:29]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.210734260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): 1 P 0.99558720457235 0.20922313083366 0.43162458275556 30.974 2 P 0.49558720457235 0.29077686916634 0.56837541724444 30.974 3 P 0.00441279542765 0.70922313083366 0.06837541724444 30.974 4 P 0.50441279542765 0.79077686916634 0.93162458275556 30.974 5 P 0.00441279542765 0.79077686916634 0.56837541724444 30.974 6 P 0.50441279542765 0.70922313083366 0.43162458275556 30.974 7 P 0.99558720457235 0.29077686916634 0.93162458275556 30.974 8 P 0.49558720457235 0.20922313083366 0.06837541724444 30.974 9 P 0.06235312316657 0.28117542547574 0.23586432628751 30.974 10 P 0.56235312316657 0.21882457452426 0.76413567371249 30.974 11 P 0.93764687683343 0.78117542547574 0.26413567371249 30.974 12 P 0.43764687683343 0.71882457452426 0.73586432628751 30.974 13 P 0.93764687683343 0.71882457452426 0.76413567371249 30.974 14 P 0.43764687683343 0.78117542547574 0.23586432628751 30.974 15 P 0.06235312316657 0.21882457452426 0.73586432628751 30.974 16 P 0.56235312316657 0.28117542547574 0.26413567371249 30.974 17 P 0.18719184512431 0.94754339297633 0.23800435152188 30.974 18 P 0.68719184512430 0.55245660702367 0.76199564847812 30.974 19 P 0.81280815487570 0.44754339297633 0.26199564847812 30.974 20 P 0.31280815487570 0.05245660702367 0.73800435152188 30.974 21 P 0.81280815487570 0.05245660702367 0.76199564847812 30.974 22 P 0.31280815487570 0.44754339297633 0.23800435152188 30.974 23 P 0.18719184512431 0.55245660702367 0.73800435152188 30.974 24 P 0.68719184512430 0.94754339297633 0.26199564847812 30.974 25 P 0.75312781981325 0.04378243486127 0.08120839346560 30.974 26 P 0.25312781981325 0.45621756513873 0.91879160653440 30.974 27 P 0.24687218018675 0.54378243486127 0.41879160653440 30.974 28 P 0.74687218018675 0.95621756513873 0.58120839346560 30.974 29 P 0.24687218018675 0.95621756513873 0.91879160653440 30.974 30 P 0.74687218018675 0.54378243486127 0.08120839346560 30.974 31 P 0.75312781981325 0.45621756513873 0.58120839346560 30.974 32 P 0.25312781981325 0.04378243486127 0.41879160653440 30.974 33 Re 0.62105085885872 0.10961525032800 0.42457291169590 186.207 34 Re 0.12105085885872 0.39038474967200 0.57542708830410 186.207 35 Re 0.37894914114128 0.60961525032800 0.07542708830410 186.207 36 Re 0.87894914114128 0.89038474967200 0.92457291169590 186.207 37 Re 0.37894914114128 0.89038474967200 0.57542708830410 186.207 38 Re 0.87894914114128 0.60961525032800 0.42457291169590 186.207 39 Re 0.62105085885872 0.39038474967200 0.92457291169590 186.207 40 Re 0.12105085885872 0.10961525032800 0.07542708830410 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.421468519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): 1 P 0.49779360228617 0.20922313083366 0.43162458275556 30.974 > 1 2 P 0.99779360228617 0.20922313083366 0.43162458275556 30.974 > 1 3 P 0.24779360228617 0.29077686916634 0.56837541724444 30.974 > 3 4 P 0.74779360228617 0.29077686916634 0.56837541724444 30.974 > 3 5 P 0.00220639771383 0.70922313083366 0.06837541724444 30.974 > 5 6 P 0.50220639771383 0.70922313083366 0.06837541724444 30.974 > 5 7 P 0.25220639771383 0.79077686916634 0.93162458275556 30.974 > 7 8 P 0.75220639771383 0.79077686916634 0.93162458275556 30.974 > 7 9 P 0.00220639771383 0.79077686916634 0.56837541724444 30.974 > 9 10 P 0.50220639771383 0.79077686916634 0.56837541724444 30.974 > 9 11 P 0.25220639771383 0.70922313083366 0.43162458275556 30.974 > 11 12 P 0.75220639771383 0.70922313083366 0.43162458275556 30.974 > 11 13 P 0.49779360228617 0.29077686916634 0.93162458275556 30.974 > 13 14 P 0.99779360228617 0.29077686916634 0.93162458275556 30.974 > 13 15 P 0.24779360228617 0.20922313083366 0.06837541724444 30.974 > 15 16 P 0.74779360228617 0.20922313083366 0.06837541724444 30.974 > 15 17 P 0.03117656158329 0.28117542547574 0.23586432628751 30.974 > 17 18 P 0.53117656158329 0.28117542547574 0.23586432628751 30.974 > 17 19 P 0.28117656158329 0.21882457452426 0.76413567371249 30.974 > 19 20 P 0.78117656158329 0.21882457452426 0.76413567371249 30.974 > 19 21 P 0.46882343841671 0.78117542547574 0.26413567371249 30.974 > 21 22 P 0.96882343841671 0.78117542547574 0.26413567371249 30.974 > 21 23 P 0.21882343841671 0.71882457452426 0.73586432628751 30.974 > 23 24 P 0.71882343841671 0.71882457452426 0.73586432628751 30.974 > 23 25 P 0.46882343841671 0.71882457452426 0.76413567371249 30.974 > 25 26 P 0.96882343841671 0.71882457452426 0.76413567371249 30.974 > 25 27 P 0.21882343841671 0.78117542547574 0.23586432628751 30.974 > 27 28 P 0.71882343841671 0.78117542547574 0.23586432628751 30.974 > 27 29 P 0.03117656158329 0.21882457452426 0.73586432628751 30.974 > 29 30 P 0.53117656158329 0.21882457452426 0.73586432628751 30.974 > 29 31 P 0.28117656158329 0.28117542547574 0.26413567371249 30.974 > 31 32 P 0.78117656158329 0.28117542547574 0.26413567371249 30.974 > 31 33 P 0.09359592256215 0.94754339297633 0.23800435152188 30.974 > 33 34 P 0.59359592256215 0.94754339297633 0.23800435152188 30.974 > 33 35 P 0.34359592256215 0.55245660702367 0.76199564847812 30.974 > 35 36 P 0.84359592256215 0.55245660702367 0.76199564847812 30.974 > 35 37 P 0.40640407743785 0.44754339297633 0.26199564847812 30.974 > 37 38 P 0.90640407743785 0.44754339297633 0.26199564847812 30.974 > 37 39 P 0.15640407743785 0.05245660702367 0.73800435152188 30.974 > 39 40 P 0.65640407743785 0.05245660702367 0.73800435152188 30.974 > 39 41 P 0.40640407743785 0.05245660702367 0.76199564847812 30.974 > 41 42 P 0.90640407743785 0.05245660702367 0.76199564847812 30.974 > 41 43 P 0.15640407743785 0.44754339297633 0.23800435152188 30.974 > 43 44 P 0.65640407743785 0.44754339297633 0.23800435152188 30.974 > 43 45 P 0.09359592256215 0.55245660702367 0.73800435152188 30.974 > 45 46 P 0.59359592256215 0.55245660702367 0.73800435152188 30.974 > 45 47 P 0.34359592256215 0.94754339297633 0.26199564847812 30.974 > 47 48 P 0.84359592256215 0.94754339297633 0.26199564847812 30.974 > 47 49 P 0.37656390990662 0.04378243486127 0.08120839346560 30.974 > 49 50 P 0.87656390990662 0.04378243486127 0.08120839346560 30.974 > 49 51 P 0.12656390990662 0.45621756513873 0.91879160653440 30.974 > 51 52 P 0.62656390990662 0.45621756513873 0.91879160653440 30.974 > 51 53 P 0.12343609009338 0.54378243486127 0.41879160653440 30.974 > 53 54 P 0.62343609009338 0.54378243486127 0.41879160653440 30.974 > 53 55 P 0.37343609009338 0.95621756513873 0.58120839346560 30.974 > 55 56 P 0.87343609009338 0.95621756513873 0.58120839346560 30.974 > 55 57 P 0.12343609009338 0.95621756513873 0.91879160653440 30.974 > 57 58 P 0.62343609009338 0.95621756513873 0.91879160653440 30.974 > 57 59 P 0.37343609009338 0.54378243486127 0.08120839346560 30.974 > 59 60 P 0.87343609009338 0.54378243486127 0.08120839346560 30.974 > 59 61 P 0.37656390990662 0.45621756513873 0.58120839346560 30.974 > 61 62 P 0.87656390990662 0.45621756513873 0.58120839346560 30.974 > 61 63 P 0.12656390990662 0.04378243486127 0.41879160653440 30.974 > 63 64 P 0.62656390990662 0.04378243486127 0.41879160653440 30.974 > 63 65 Re 0.31052542942936 0.10961525032800 0.42457291169590 186.207 > 65 66 Re 0.81052542942936 0.10961525032800 0.42457291169590 186.207 > 65 67 Re 0.06052542942936 0.39038474967200 0.57542708830410 186.207 > 67 68 Re 0.56052542942936 0.39038474967200 0.57542708830410 186.207 > 67 69 Re 0.18947457057064 0.60961525032800 0.07542708830410 186.207 > 69 70 Re 0.68947457057064 0.60961525032800 0.07542708830410 186.207 > 69 71 Re 0.43947457057064 0.89038474967200 0.92457291169590 186.207 > 71 72 Re 0.93947457057064 0.89038474967200 0.92457291169590 186.207 > 71 73 Re 0.18947457057064 0.89038474967200 0.57542708830410 186.207 > 73 74 Re 0.68947457057064 0.89038474967200 0.57542708830410 186.207 > 73 75 Re 0.43947457057064 0.60961525032800 0.42457291169590 186.207 > 75 76 Re 0.93947457057064 0.60961525032800 0.42457291169590 186.207 > 75 77 Re 0.31052542942936 0.39038474967200 0.92457291169590 186.207 > 77 78 Re 0.81052542942936 0.39038474967200 0.92457291169590 186.207 > 77 79 Re 0.06052542942936 0.10961525032800 0.07542708830410 186.207 > 79 80 Re 0.56052542942936 0.10961525032800 0.07542708830410 186.207 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.2889082 0.0000000 0.0000000 0.0000000 19.4634965 0.0000000 0.0000000 0.0000000 18.6013969 -------------------------- Born effective charges -------------------------- 1 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 2 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 3 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 4 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 5 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 6 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 7 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 8 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 9 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 10 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 11 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 12 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 13 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 14 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 15 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 16 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 17 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 18 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 19 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 20 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 21 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 22 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 23 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 24 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 25 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 26 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 27 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 28 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 29 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 30 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 31 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 32 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 33 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 34 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 35 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 36 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 37 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 38 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 39 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 40 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:10:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:10:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.210734260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): 1 P 0.99558720457235 0.20922313083366 0.43162458275556 30.974 2 P 0.49558720457235 0.29077686916634 0.56837541724444 30.974 3 P 0.00441279542765 0.70922313083366 0.06837541724444 30.974 4 P 0.50441279542765 0.79077686916634 0.93162458275556 30.974 5 P 0.00441279542765 0.79077686916634 0.56837541724444 30.974 6 P 0.50441279542765 0.70922313083366 0.43162458275556 30.974 7 P 0.99558720457235 0.29077686916634 0.93162458275556 30.974 8 P 0.49558720457235 0.20922313083366 0.06837541724444 30.974 9 P 0.06235312316657 0.28117542547574 0.23586432628751 30.974 10 P 0.56235312316657 0.21882457452426 0.76413567371249 30.974 11 P 0.93764687683343 0.78117542547574 0.26413567371249 30.974 12 P 0.43764687683343 0.71882457452426 0.73586432628751 30.974 13 P 0.93764687683343 0.71882457452426 0.76413567371249 30.974 14 P 0.43764687683343 0.78117542547574 0.23586432628751 30.974 15 P 0.06235312316657 0.21882457452426 0.73586432628751 30.974 16 P 0.56235312316657 0.28117542547574 0.26413567371249 30.974 17 P 0.18719184512431 0.94754339297633 0.23800435152188 30.974 18 P 0.68719184512430 0.55245660702367 0.76199564847812 30.974 19 P 0.81280815487570 0.44754339297633 0.26199564847812 30.974 20 P 0.31280815487570 0.05245660702367 0.73800435152188 30.974 21 P 0.81280815487570 0.05245660702367 0.76199564847812 30.974 22 P 0.31280815487570 0.44754339297633 0.23800435152188 30.974 23 P 0.18719184512431 0.55245660702367 0.73800435152188 30.974 24 P 0.68719184512430 0.94754339297633 0.26199564847812 30.974 25 P 0.75312781981325 0.04378243486127 0.08120839346560 30.974 26 P 0.25312781981325 0.45621756513873 0.91879160653440 30.974 27 P 0.24687218018675 0.54378243486127 0.41879160653440 30.974 28 P 0.74687218018675 0.95621756513873 0.58120839346560 30.974 29 P 0.24687218018675 0.95621756513873 0.91879160653440 30.974 30 P 0.74687218018675 0.54378243486127 0.08120839346560 30.974 31 P 0.75312781981325 0.45621756513873 0.58120839346560 30.974 32 P 0.25312781981325 0.04378243486127 0.41879160653440 30.974 33 Re 0.62105085885872 0.10961525032800 0.42457291169590 186.207 34 Re 0.12105085885872 0.39038474967200 0.57542708830410 186.207 35 Re 0.37894914114128 0.60961525032800 0.07542708830410 186.207 36 Re 0.87894914114128 0.89038474967200 0.92457291169590 186.207 37 Re 0.37894914114128 0.89038474967200 0.57542708830410 186.207 38 Re 0.87894914114128 0.60961525032800 0.42457291169590 186.207 39 Re 0.62105085885872 0.39038474967200 0.92457291169590 186.207 40 Re 0.12105085885872 0.10961525032800 0.07542708830410 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.421468519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200804780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.840007280000000 Atomic positions (fractional): 1 P 0.49779360228617 0.20922313083366 0.43162458275556 30.974 > 1 2 P 0.99779360228617 0.20922313083366 0.43162458275556 30.974 > 1 3 P 0.24779360228617 0.29077686916634 0.56837541724444 30.974 > 3 4 P 0.74779360228617 0.29077686916634 0.56837541724444 30.974 > 3 5 P 0.00220639771383 0.70922313083366 0.06837541724444 30.974 > 5 6 P 0.50220639771383 0.70922313083366 0.06837541724444 30.974 > 5 7 P 0.25220639771383 0.79077686916634 0.93162458275556 30.974 > 7 8 P 0.75220639771383 0.79077686916634 0.93162458275556 30.974 > 7 9 P 0.00220639771383 0.79077686916634 0.56837541724444 30.974 > 9 10 P 0.50220639771383 0.79077686916634 0.56837541724444 30.974 > 9 11 P 0.25220639771383 0.70922313083366 0.43162458275556 30.974 > 11 12 P 0.75220639771383 0.70922313083366 0.43162458275556 30.974 > 11 13 P 0.49779360228617 0.29077686916634 0.93162458275556 30.974 > 13 14 P 0.99779360228617 0.29077686916634 0.93162458275556 30.974 > 13 15 P 0.24779360228617 0.20922313083366 0.06837541724444 30.974 > 15 16 P 0.74779360228617 0.20922313083366 0.06837541724444 30.974 > 15 17 P 0.03117656158329 0.28117542547574 0.23586432628751 30.974 > 17 18 P 0.53117656158329 0.28117542547574 0.23586432628751 30.974 > 17 19 P 0.28117656158329 0.21882457452426 0.76413567371249 30.974 > 19 20 P 0.78117656158329 0.21882457452426 0.76413567371249 30.974 > 19 21 P 0.46882343841671 0.78117542547574 0.26413567371249 30.974 > 21 22 P 0.96882343841671 0.78117542547574 0.26413567371249 30.974 > 21 23 P 0.21882343841671 0.71882457452426 0.73586432628751 30.974 > 23 24 P 0.71882343841671 0.71882457452426 0.73586432628751 30.974 > 23 25 P 0.46882343841671 0.71882457452426 0.76413567371249 30.974 > 25 26 P 0.96882343841671 0.71882457452426 0.76413567371249 30.974 > 25 27 P 0.21882343841671 0.78117542547574 0.23586432628751 30.974 > 27 28 P 0.71882343841671 0.78117542547574 0.23586432628751 30.974 > 27 29 P 0.03117656158329 0.21882457452426 0.73586432628751 30.974 > 29 30 P 0.53117656158329 0.21882457452426 0.73586432628751 30.974 > 29 31 P 0.28117656158329 0.28117542547574 0.26413567371249 30.974 > 31 32 P 0.78117656158329 0.28117542547574 0.26413567371249 30.974 > 31 33 P 0.09359592256215 0.94754339297633 0.23800435152188 30.974 > 33 34 P 0.59359592256215 0.94754339297633 0.23800435152188 30.974 > 33 35 P 0.34359592256215 0.55245660702367 0.76199564847812 30.974 > 35 36 P 0.84359592256215 0.55245660702367 0.76199564847812 30.974 > 35 37 P 0.40640407743785 0.44754339297633 0.26199564847812 30.974 > 37 38 P 0.90640407743785 0.44754339297633 0.26199564847812 30.974 > 37 39 P 0.15640407743785 0.05245660702367 0.73800435152188 30.974 > 39 40 P 0.65640407743785 0.05245660702367 0.73800435152188 30.974 > 39 41 P 0.40640407743785 0.05245660702367 0.76199564847812 30.974 > 41 42 P 0.90640407743785 0.05245660702367 0.76199564847812 30.974 > 41 43 P 0.15640407743785 0.44754339297633 0.23800435152188 30.974 > 43 44 P 0.65640407743785 0.44754339297633 0.23800435152188 30.974 > 43 45 P 0.09359592256215 0.55245660702367 0.73800435152188 30.974 > 45 46 P 0.59359592256215 0.55245660702367 0.73800435152188 30.974 > 45 47 P 0.34359592256215 0.94754339297633 0.26199564847812 30.974 > 47 48 P 0.84359592256215 0.94754339297633 0.26199564847812 30.974 > 47 49 P 0.37656390990662 0.04378243486127 0.08120839346560 30.974 > 49 50 P 0.87656390990662 0.04378243486127 0.08120839346560 30.974 > 49 51 P 0.12656390990662 0.45621756513873 0.91879160653440 30.974 > 51 52 P 0.62656390990662 0.45621756513873 0.91879160653440 30.974 > 51 53 P 0.12343609009338 0.54378243486127 0.41879160653440 30.974 > 53 54 P 0.62343609009338 0.54378243486127 0.41879160653440 30.974 > 53 55 P 0.37343609009338 0.95621756513873 0.58120839346560 30.974 > 55 56 P 0.87343609009338 0.95621756513873 0.58120839346560 30.974 > 55 57 P 0.12343609009338 0.95621756513873 0.91879160653440 30.974 > 57 58 P 0.62343609009338 0.95621756513873 0.91879160653440 30.974 > 57 59 P 0.37343609009338 0.54378243486127 0.08120839346560 30.974 > 59 60 P 0.87343609009338 0.54378243486127 0.08120839346560 30.974 > 59 61 P 0.37656390990662 0.45621756513873 0.58120839346560 30.974 > 61 62 P 0.87656390990662 0.45621756513873 0.58120839346560 30.974 > 61 63 P 0.12656390990662 0.04378243486127 0.41879160653440 30.974 > 63 64 P 0.62656390990662 0.04378243486127 0.41879160653440 30.974 > 63 65 Re 0.31052542942936 0.10961525032800 0.42457291169590 186.207 > 65 66 Re 0.81052542942936 0.10961525032800 0.42457291169590 186.207 > 65 67 Re 0.06052542942936 0.39038474967200 0.57542708830410 186.207 > 67 68 Re 0.56052542942936 0.39038474967200 0.57542708830410 186.207 > 67 69 Re 0.18947457057064 0.60961525032800 0.07542708830410 186.207 > 69 70 Re 0.68947457057064 0.60961525032800 0.07542708830410 186.207 > 69 71 Re 0.43947457057064 0.89038474967200 0.92457291169590 186.207 > 71 72 Re 0.93947457057064 0.89038474967200 0.92457291169590 186.207 > 71 73 Re 0.18947457057064 0.89038474967200 0.57542708830410 186.207 > 73 74 Re 0.68947457057064 0.89038474967200 0.57542708830410 186.207 > 73 75 Re 0.43947457057064 0.60961525032800 0.42457291169590 186.207 > 75 76 Re 0.93947457057064 0.60961525032800 0.42457291169590 186.207 > 75 77 Re 0.31052542942936 0.39038474967200 0.92457291169590 186.207 > 77 78 Re 0.81052542942936 0.39038474967200 0.92457291169590 186.207 > 77 79 Re 0.06052542942936 0.10961525032800 0.07542708830410 186.207 > 79 80 Re 0.56052542942936 0.10961525032800 0.07542708830410 186.207 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.2889082 0.0000000 0.0000000 0.0000000 19.4634965 0.0000000 0.0000000 0.0000000 18.6013969 -------------------------- Born effective charges -------------------------- 1 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 2 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 3 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 4 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 5 P 2.2612655 0.2215620 -0.3140143 0.5764834 2.0335288 -0.0135226 -0.0504042 0.5835678 2.1345245 6 P 2.2612655 -0.2215620 0.3140143 -0.5764834 2.0335288 -0.0135226 0.0504042 0.5835678 2.1345245 7 P 2.2612655 -0.2215620 -0.3140143 -0.5764834 2.0335288 0.0135226 -0.0504042 -0.5835678 2.1345245 8 P 2.2612655 0.2215620 0.3140143 0.5764834 2.0335288 0.0135226 0.0504042 -0.5835678 2.1345245 9 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 10 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 11 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 12 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 13 P 0.6360075 0.2229211 -0.2388610 0.3855890 1.2642115 0.6556943 -0.2532449 0.5747079 0.9826229 14 P 0.6360075 -0.2229211 0.2388610 -0.3855890 1.2642115 0.6556943 0.2532449 0.5747079 0.9826229 15 P 0.6360075 -0.2229211 -0.2388610 -0.3855890 1.2642115 -0.6556943 -0.2532449 -0.5747079 0.9826229 16 P 0.6360075 0.2229211 0.2388610 0.3855890 1.2642115 -0.6556943 0.2532449 -0.5747079 0.9826229 17 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 18 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 19 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 20 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 21 P 1.1792996 0.0070221 0.2874055 0.3231514 1.7455736 -0.7783602 0.2896324 -0.7266076 1.4232543 22 P 1.1792996 -0.0070221 -0.2874055 -0.3231514 1.7455736 -0.7783602 -0.2896324 -0.7266076 1.4232543 23 P 1.1792996 -0.0070221 0.2874055 -0.3231514 1.7455736 0.7783602 0.2896324 0.7266076 1.4232543 24 P 1.1792996 0.0070221 -0.2874055 0.3231514 1.7455736 0.7783602 -0.2896324 0.7266076 1.4232543 25 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 26 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 27 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 28 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 29 P 2.1497692 -0.1270975 0.1586807 -0.1692768 2.2327534 -0.0569590 -0.0008202 0.5627614 2.4672871 30 P 2.1497692 0.1270975 -0.1586807 0.1692768 2.2327534 -0.0569590 0.0008202 0.5627614 2.4672871 31 P 2.1497692 0.1270975 0.1586807 0.1692768 2.2327534 0.0569590 -0.0008202 -0.5627614 2.4672871 32 P 2.1497692 -0.1270975 -0.1586807 -0.1692768 2.2327534 0.0569590 0.0008202 -0.5627614 2.4672871 33 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 34 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 35 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 36 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 37 Re -6.2263417 -0.3896298 0.2256762 -0.7100649 -7.2760673 0.3035047 0.2063351 0.6004477 -7.0076888 38 Re -6.2263417 0.3896298 -0.2256762 0.7100649 -7.2760673 0.3035047 -0.2063351 0.6004477 -7.0076888 39 Re -6.2263417 0.3896298 0.2256762 0.7100649 -7.2760673 -0.3035047 0.2063351 -0.6004477 -7.0076888 40 Re -6.2263417 -0.3896298 -0.2256762 -0.7100649 -7.2760673 -0.3035047 -0.2063351 -0.6004477 -7.0076888 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 5 ] 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: 0.49, Number of G-points: 289, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.346 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 11.892 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.374 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.766 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 13.992 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 14.455 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.520 ( 0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.634 ( 0.000 0.000 0.000) 0.000 14.963 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 15.278 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.420 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.987 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 36.459 0.000 0.000) 36.459 0.845 ( 41.649 0.000 0.000) 41.649 1.412 ( 66.984 0.000 0.000) 66.984 3.041 ( 8.869 0.000 0.000) 8.869 3.521 ( 20.063 0.000 0.000) 20.063 3.673 ( 5.590 0.000 0.000) 5.590 3.710 ( -0.974 0.000 0.000) 0.974 3.733 ( 2.908 0.000 0.000) 2.908 3.777 ( 2.383 0.000 0.000) 2.383 3.913 ( 9.796 0.000 0.000) 9.796 4.034 ( 4.413 0.000 0.000) 4.413 4.110 ( 14.054 0.000 0.000) 14.054 4.120 ( -1.472 0.000 0.000) 1.472 4.261 ( 1.175 0.000 0.000) 1.175 4.301 ( -0.545 0.000 0.000) 0.545 4.506 ( 1.848 0.000 0.000) 1.848 4.659 ( 13.052 0.000 0.000) 13.052 4.758 ( 0.059 0.000 0.000) 0.059 4.779 ( -4.898 0.000 0.000) 4.898 4.811 ( 24.018 0.000 0.000) 24.018 4.846 ( 2.266 0.000 0.000) 2.266 5.102 ( -0.450 0.000 0.000) 0.450 5.150 ( -1.205 0.000 0.000) 1.205 5.217 ( 14.961 0.000 0.000) 14.961 5.413 ( 4.738 0.000 0.000) 4.738 5.570 ( -4.115 0.000 0.000) 4.115 5.689 ( -8.508 0.000 0.000) 8.508 5.755 ( 21.162 0.000 0.000) 21.162 5.959 ( 3.830 0.000 0.000) 3.830 6.062 ( -3.274 0.000 0.000) 3.274 6.162 ( 3.827 0.000 0.000) 3.827 6.268 ( 0.597 0.000 0.000) 0.597 6.330 ( 4.324 0.000 0.000) 4.324 6.495 ( 6.280 0.000 0.000) 6.280 6.849 ( -0.053 0.000 0.000) 0.053 6.862 ( -0.679 0.000 0.000) 0.679 6.966 ( -4.355 0.000 0.000) 4.355 7.073 ( -0.545 0.000 0.000) 0.545 7.142 ( 3.353 0.000 0.000) 3.353 7.236 ( -2.127 0.000 0.000) 2.127 7.368 ( 2.013 0.000 0.000) 2.013 7.376 ( 2.233 0.000 0.000) 2.233 7.748 ( -4.676 0.000 0.000) 4.676 7.756 ( -0.896 0.000 0.000) 0.896 8.264 ( -0.250 0.000 0.000) 0.250 8.366 ( -5.149 0.000 0.000) 5.149 8.471 ( -0.322 0.000 0.000) 0.322 8.480 ( 1.379 0.000 0.000) 1.379 8.943 ( -1.650 0.000 0.000) 1.650 8.948 ( -4.950 0.000 0.000) 4.950 8.963 ( -4.778 0.000 0.000) 4.778 9.089 ( 1.776 0.000 0.000) 1.776 9.142 ( -3.476 0.000 0.000) 3.476 9.220 ( -1.057 0.000 0.000) 1.057 9.267 ( 3.800 0.000 0.000) 3.800 9.365 ( -1.861 0.000 0.000) 1.861 9.409 ( 5.923 0.000 0.000) 5.923 9.450 ( -0.828 0.000 0.000) 0.828 9.514 ( -1.578 0.000 0.000) 1.578 9.575 ( 0.290 0.000 0.000) 0.290 9.666 ( 0.248 0.000 0.000) 0.248 9.669 ( 0.655 0.000 0.000) 0.655 9.699 ( 1.843 0.000 0.000) 1.843 9.716 ( -2.261 0.000 0.000) 2.261 9.866 ( 0.903 0.000 0.000) 0.903 9.956 ( 9.974 0.000 0.000) 9.974 9.994 ( -3.332 0.000 0.000) 3.332 10.071 ( -4.163 0.000 0.000) 4.163 10.101 ( -2.024 0.000 0.000) 2.024 10.112 ( -0.034 0.000 0.000) 0.034 10.189 ( 1.154 0.000 0.000) 1.154 10.325 ( -0.875 0.000 0.000) 0.875 10.526 ( -1.060 0.000 0.000) 1.060 10.670 ( -2.653 0.000 0.000) 2.653 10.834 ( 6.567 0.000 0.000) 6.567 11.195 ( -2.933 0.000 0.000) 2.933 11.478 ( -0.977 0.000 0.000) 0.977 11.625 ( -6.499 0.000 0.000) 6.499 11.689 ( -4.510 0.000 0.000) 4.510 11.812 ( -0.970 0.000 0.000) 0.970 11.866 ( -2.918 0.000 0.000) 2.918 12.074 ( 1.622 0.000 0.000) 1.622 12.107 ( -1.875 0.000 0.000) 1.875 12.347 ( -2.323 0.000 0.000) 2.323 12.495 ( -1.063 0.000 0.000) 1.063 12.607 ( -0.697 0.000 0.000) 0.697 12.751 ( -1.362 0.000 0.000) 1.362 12.755 ( -0.213 0.000 0.000) 0.213 13.756 ( 1.991 0.000 0.000) 1.991 13.765 ( 3.916 0.000 0.000) 3.916 13.860 ( 2.087 0.000 0.000) 2.087 13.868 ( -0.364 0.000 0.000) 0.364 13.952 ( -3.357 0.000 0.000) 3.357 14.160 ( -0.128 0.000 0.000) 0.128 14.228 ( -4.299 0.000 0.000) 4.299 14.332 ( -1.765 0.000 0.000) 1.765 14.393 ( -3.735 0.000 0.000) 3.735 14.472 ( 1.659 0.000 0.000) 1.659 14.472 ( -2.157 0.000 0.000) 2.157 14.491 ( 3.206 0.000 0.000) 3.206 14.512 ( -1.737 0.000 0.000) 1.737 14.608 ( 1.610 0.000 0.000) 1.610 14.619 ( -1.700 0.000 0.000) 1.700 14.944 ( -1.604 0.000 0.000) 1.604 14.982 ( -0.087 0.000 0.000) 0.087 14.990 ( -2.248 0.000 0.000) 2.248 15.053 ( -2.602 0.000 0.000) 2.602 15.276 ( -2.165 0.000 0.000) 2.165 15.277 ( -0.160 0.000 0.000) 0.160 15.354 ( -6.337 0.000 0.000) 6.337 15.396 ( -2.362 0.000 0.000) 2.362 15.537 ( -1.794 0.000 0.000) 1.794 15.559 ( -3.380 0.000 0.000) 3.380 15.653 ( -1.345 0.000 0.000) 1.345 15.669 ( 2.105 0.000 0.000) 2.105 15.685 ( -2.824 0.000 0.000) 2.824 15.876 ( -10.555 0.000 0.000) 10.555 15.948 ( -11.998 0.000 0.000) 11.998 16.151 ( -10.623 0.000 0.000) 10.623 16.428 ( -7.998 0.000 0.000) 7.998 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 35.025 0.000 0.000) 35.025 1.670 ( 40.109 0.000 0.000) 40.109 2.637 ( 53.234 0.000 0.000) 53.234 3.284 ( 14.492 0.000 0.000) 14.492 3.629 ( -11.213 0.000 0.000) 11.213 3.727 ( 3.064 0.000 0.000) 3.064 3.820 ( 3.928 0.000 0.000) 3.928 3.878 ( 6.501 0.000 0.000) 6.501 3.906 ( 13.043 0.000 0.000) 13.043 4.090 ( 5.604 0.000 0.000) 5.604 4.140 ( 2.967 0.000 0.000) 2.967 4.145 ( 7.226 0.000 0.000) 7.226 4.250 ( -4.214 0.000 0.000) 4.214 4.312 ( 3.137 0.000 0.000) 3.137 4.381 ( 11.294 0.000 0.000) 11.294 4.524 ( -1.207 0.000 0.000) 1.207 4.695 ( -1.936 0.000 0.000) 1.936 4.756 ( -0.172 0.000 0.000) 0.172 4.912 ( 4.103 0.000 0.000) 4.103 4.912 ( 9.485 0.000 0.000) 9.485 5.080 ( 2.959 0.000 0.000) 2.959 5.144 ( 2.021 0.000 0.000) 2.021 5.392 ( 20.267 0.000 0.000) 20.267 5.469 ( -4.480 0.000 0.000) 4.480 5.531 ( 0.548 0.000 0.000) 0.548 5.608 ( 18.314 0.000 0.000) 18.314 5.731 ( 27.982 0.000 0.000) 27.982 5.953 ( -7.636 0.000 0.000) 7.636 6.087 ( 10.965 0.000 0.000) 10.965 6.204 ( -0.402 0.000 0.000) 0.402 6.307 ( 7.490 0.000 0.000) 7.490 6.308 ( 25.824 0.000 0.000) 25.824 6.485 ( 10.999 0.000 0.000) 10.999 6.629 ( 7.107 0.000 0.000) 7.107 6.855 ( 1.143 0.000 0.000) 1.143 6.866 ( 0.733 0.000 0.000) 0.733 6.883 ( -3.829 0.000 0.000) 3.829 7.032 ( -3.109 0.000 0.000) 3.109 7.192 ( 1.462 0.000 0.000) 1.462 7.199 ( -1.272 0.000 0.000) 1.272 7.446 ( 4.871 0.000 0.000) 4.871 7.452 ( 7.299 0.000 0.000) 7.299 7.632 ( -5.667 0.000 0.000) 5.667 7.748 ( 0.780 0.000 0.000) 0.780 8.246 ( -2.215 0.000 0.000) 2.215 8.252 ( -5.846 0.000 0.000) 5.846 8.432 ( -4.034 0.000 0.000) 4.034 8.522 ( 2.761 0.000 0.000) 2.761 8.856 ( -5.551 0.000 0.000) 5.551 8.867 ( -3.426 0.000 0.000) 3.426 8.903 ( -1.956 0.000 0.000) 1.956 9.046 ( -6.508 0.000 0.000) 6.508 9.128 ( 2.619 0.000 0.000) 2.619 9.166 ( -4.844 0.000 0.000) 4.844 9.304 ( -4.442 0.000 0.000) 4.442 9.314 ( 1.164 0.000 0.000) 1.164 9.444 ( 1.195 0.000 0.000) 1.195 9.487 ( -0.885 0.000 0.000) 0.885 9.542 ( 6.619 0.000 0.000) 6.619 9.601 ( 2.244 0.000 0.000) 2.244 9.652 ( -1.756 0.000 0.000) 1.756 9.676 ( -0.137 0.000 0.000) 0.137 9.689 ( -0.439 0.000 0.000) 0.439 9.753 ( 3.444 0.000 0.000) 3.444 9.900 ( 1.293 0.000 0.000) 1.293 9.919 ( -3.541 0.000 0.000) 3.541 9.976 ( -3.160 0.000 0.000) 3.160 10.056 ( -2.208 0.000 0.000) 2.208 10.088 ( -2.480 0.000 0.000) 2.480 10.111 ( 2.233 0.000 0.000) 2.233 10.217 ( 2.033 0.000 0.000) 2.033 10.354 ( 4.126 0.000 0.000) 4.126 10.516 ( 1.247 0.000 0.000) 1.247 10.581 ( -5.559 0.000 0.000) 5.559 11.006 ( 9.943 0.000 0.000) 9.943 11.105 ( -6.414 0.000 0.000) 6.414 11.423 ( -4.453 0.000 0.000) 4.453 11.457 ( -9.469 0.000 0.000) 9.469 11.549 ( -9.902 0.000 0.000) 9.902 11.769 ( -6.396 0.000 0.000) 6.396 11.796 ( -0.229 0.000 0.000) 0.229 12.053 ( -3.370 0.000 0.000) 3.370 12.115 ( 2.390 0.000 0.000) 2.390 12.299 ( -2.134 0.000 0.000) 2.134 12.475 ( -0.516 0.000 0.000) 0.516 12.591 ( -0.745 0.000 0.000) 0.745 12.717 ( -1.811 0.000 0.000) 1.811 12.744 ( -0.926 0.000 0.000) 0.926 13.798 ( 2.008 0.000 0.000) 2.008 13.858 ( -0.326 0.000 0.000) 0.326 13.877 ( 6.759 0.000 0.000) 6.759 13.886 ( -2.761 0.000 0.000) 2.761 13.922 ( 4.054 0.000 0.000) 4.054 14.117 ( -6.137 0.000 0.000) 6.137 14.173 ( 1.700 0.000 0.000) 1.700 14.306 ( -0.361 0.000 0.000) 0.361 14.319 ( -2.650 0.000 0.000) 2.650 14.415 ( -4.020 0.000 0.000) 4.020 14.449 ( -3.782 0.000 0.000) 3.782 14.521 ( 3.221 0.000 0.000) 3.221 14.558 ( -2.829 0.000 0.000) 2.829 14.570 ( 3.263 0.000 0.000) 3.263 14.650 ( 2.471 0.000 0.000) 2.471 14.905 ( -2.697 0.000 0.000) 2.697 14.932 ( -3.364 0.000 0.000) 3.364 14.969 ( -1.508 0.000 0.000) 1.508 14.991 ( -2.582 0.000 0.000) 2.582 15.187 ( -7.996 0.000 0.000) 7.996 15.209 ( -7.202 0.000 0.000) 7.202 15.272 ( -0.232 0.000 0.000) 0.232 15.325 ( -4.741 0.000 0.000) 4.741 15.444 ( -8.471 0.000 0.000) 8.471 15.494 ( -2.133 0.000 0.000) 2.133 15.539 ( -16.293 0.000 0.000) 16.293 15.623 ( -1.303 0.000 0.000) 1.303 15.629 ( -11.162 0.000 0.000) 11.162 15.691 ( -7.625 0.000 0.000) 7.625 15.714 ( 2.332 0.000 0.000) 2.332 15.865 ( -16.523 0.000 0.000) 16.523 16.221 ( -11.515 0.000 0.000) 11.515 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 32.345 0.000 0.000) 32.345 2.451 ( 37.277 0.000 0.000) 37.277 3.249 ( -18.405 0.000 0.000) 18.405 3.541 ( 28.252 0.000 0.000) 28.252 3.585 ( 14.319 0.000 0.000) 14.319 3.700 ( -19.228 0.000 0.000) 19.228 3.816 ( 4.963 0.000 0.000) 4.963 3.983 ( -2.944 0.000 0.000) 2.944 4.015 ( 6.630 0.000 0.000) 6.630 4.135 ( 5.093 0.000 0.000) 5.093 4.169 ( -0.464 0.000 0.000) 0.464 4.269 ( 4.087 0.000 0.000) 4.087 4.292 ( 4.745 0.000 0.000) 4.745 4.340 ( 0.315 0.000 0.000) 0.315 4.445 ( -6.123 0.000 0.000) 6.123 4.506 ( 0.424 0.000 0.000) 0.424 4.704 ( 1.624 0.000 0.000) 1.624 4.749 ( -0.773 0.000 0.000) 0.773 5.007 ( 4.966 0.000 0.000) 4.966 5.050 ( 4.333 0.000 0.000) 4.333 5.169 ( 5.259 0.000 0.000) 5.259 5.225 ( 4.127 0.000 0.000) 4.127 5.418 ( 2.081 0.000 0.000) 2.081 5.578 ( 3.666 0.000 0.000) 3.666 5.615 ( 5.870 0.000 0.000) 5.870 5.765 ( -10.575 0.000 0.000) 10.575 5.907 ( 7.383 0.000 0.000) 7.383 6.146 ( -4.895 0.000 0.000) 4.895 6.318 ( 22.992 0.000 0.000) 22.992 6.414 ( 6.406 0.000 0.000) 6.406 6.534 ( 28.678 0.000 0.000) 28.678 6.668 ( 5.594 0.000 0.000) 5.594 6.687 ( 6.467 0.000 0.000) 6.467 6.811 ( -3.338 0.000 0.000) 3.338 6.843 ( -3.483 0.000 0.000) 3.483 6.896 ( 16.729 0.000 0.000) 16.729 6.938 ( 7.375 0.000 0.000) 7.375 7.004 ( 0.590 0.000 0.000) 0.590 7.166 ( -2.759 0.000 0.000) 2.759 7.193 ( -1.504 0.000 0.000) 1.504 7.578 ( 4.473 0.000 0.000) 4.473 7.591 ( 10.495 0.000 0.000) 10.495 7.749 ( 21.897 0.000 0.000) 21.897 7.819 ( 7.107 0.000 0.000) 7.107 8.125 ( -7.658 0.000 0.000) 7.658 8.129 ( -10.573 0.000 0.000) 10.573 8.281 ( -11.272 0.000 0.000) 11.272 8.567 ( -1.156 0.000 0.000) 1.156 8.757 ( -3.725 0.000 0.000) 3.725 8.792 ( -4.098 0.000 0.000) 4.098 8.827 ( -7.693 0.000 0.000) 7.693 8.939 ( 0.902 0.000 0.000) 0.902 9.023 ( -8.864 0.000 0.000) 8.864 9.183 ( -7.275 0.000 0.000) 7.275 9.207 ( 5.079 0.000 0.000) 5.079 9.329 ( 0.306 0.000 0.000) 0.306 9.482 ( 0.576 0.000 0.000) 0.576 9.515 ( 5.506 0.000 0.000) 5.506 9.597 ( -3.595 0.000 0.000) 3.595 9.645 ( 3.264 0.000 0.000) 3.264 9.660 ( 3.632 0.000 0.000) 3.632 9.673 ( 0.152 0.000 0.000) 0.152 9.695 ( 0.908 0.000 0.000) 0.908 9.762 ( -4.143 0.000 0.000) 4.143 9.831 ( -4.406 0.000 0.000) 4.406 9.947 ( 7.856 0.000 0.000) 7.856 10.009 ( -2.397 0.000 0.000) 2.397 10.018 ( -9.404 0.000 0.000) 9.404 10.021 ( -3.546 0.000 0.000) 3.546 10.059 ( 7.866 0.000 0.000) 7.866 10.252 ( 0.681 0.000 0.000) 0.681 10.360 ( -7.855 0.000 0.000) 7.855 10.591 ( 5.040 0.000 0.000) 5.040 10.597 ( 11.499 0.000 0.000) 11.499 10.928 ( -10.714 0.000 0.000) 10.714 11.220 ( 11.052 0.000 0.000) 11.052 11.278 ( -16.682 0.000 0.000) 16.682 11.289 ( -5.877 0.000 0.000) 5.877 11.322 ( -4.846 0.000 0.000) 4.846 11.622 ( -8.153 0.000 0.000) 8.153 11.816 ( 2.280 0.000 0.000) 2.280 11.974 ( -4.365 0.000 0.000) 4.365 12.169 ( 2.812 0.000 0.000) 2.812 12.262 ( -1.714 0.000 0.000) 1.714 12.489 ( 1.992 0.000 0.000) 1.992 12.576 ( -0.898 0.000 0.000) 0.898 12.687 ( -0.985 0.000 0.000) 0.985 12.715 ( -1.898 0.000 0.000) 1.898 13.838 ( 2.270 0.000 0.000) 2.270 13.848 ( -0.451 0.000 0.000) 0.451 13.849 ( -0.918 0.000 0.000) 0.918 13.998 ( -5.504 0.000 0.000) 5.504 14.021 ( 5.765 0.000 0.000) 5.765 14.035 ( 8.512 0.000 0.000) 8.512 14.226 ( 3.255 0.000 0.000) 3.255 14.295 ( -6.702 0.000 0.000) 6.702 14.299 ( -0.801 0.000 0.000) 0.801 14.329 ( 0.722 0.000 0.000) 0.722 14.403 ( 1.147 0.000 0.000) 1.147 14.488 ( -0.628 0.000 0.000) 0.628 14.599 ( 4.391 0.000 0.000) 4.391 14.686 ( 7.321 0.000 0.000) 7.321 14.703 ( 2.472 0.000 0.000) 2.472 14.822 ( -4.643 0.000 0.000) 4.643 14.860 ( -3.756 0.000 0.000) 3.756 14.899 ( -7.150 0.000 0.000) 7.150 14.917 ( -16.987 0.000 0.000) 16.987 14.976 ( 0.668 0.000 0.000) 0.668 15.103 ( -2.529 0.000 0.000) 2.529 15.144 ( -17.564 0.000 0.000) 17.564 15.193 ( -9.232 0.000 0.000) 9.232 15.260 ( -8.489 0.000 0.000) 8.489 15.279 ( 1.314 0.000 0.000) 1.314 15.459 ( -1.192 0.000 0.000) 1.192 15.488 ( -3.663 0.000 0.000) 3.663 15.514 ( -12.637 0.000 0.000) 12.637 15.607 ( -0.308 0.000 0.000) 0.308 15.641 ( -2.954 0.000 0.000) 2.954 15.768 ( 3.251 0.000 0.000) 3.251 16.004 ( -9.345 0.000 0.000) 9.345 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -28.113 0.000 0.000) 28.113 2.753 ( 28.113 0.000 0.000) 28.113 3.155 ( -32.108 0.000 0.000) 32.108 3.155 ( 32.108 0.000 0.000) 32.108 3.843 ( -10.366 0.000 0.000) 10.366 3.843 ( 10.366 0.000 0.000) 10.366 3.868 ( -2.845 0.000 0.000) 2.845 3.868 ( 2.845 0.000 0.000) 2.845 4.125 ( -3.893 0.000 0.000) 3.893 4.125 ( 3.893 0.000 0.000) 3.893 4.277 ( -6.915 0.000 0.000) 6.915 4.277 ( 6.915 0.000 0.000) 6.915 4.338 ( -2.705 0.000 0.000) 2.705 4.338 ( 2.705 0.000 0.000) 2.705 4.416 ( -7.257 0.000 0.000) 7.257 4.416 ( 7.257 0.000 0.000) 7.257 4.728 ( -1.003 0.000 0.000) 1.003 4.728 ( 1.003 0.000 0.000) 1.003 5.079 ( -1.420 0.000 0.000) 1.420 5.079 ( 1.420 0.000 0.000) 1.420 5.250 ( -1.900 0.000 0.000) 1.900 5.250 ( 1.900 0.000 0.000) 1.900 5.551 ( -9.862 0.000 0.000) 9.862 5.551 ( 9.862 0.000 0.000) 9.862 5.649 ( -2.074 0.000 0.000) 2.074 5.649 ( 2.074 0.000 0.000) 2.074 6.030 ( -6.071 0.000 0.000) 6.071 6.030 ( 6.071 0.000 0.000) 6.071 6.517 ( -1.369 0.000 0.000) 1.369 6.517 ( 1.369 0.000 0.000) 1.369 6.745 ( -3.351 0.000 0.000) 3.351 6.745 ( 3.351 0.000 0.000) 3.351 6.766 ( -3.511 0.000 0.000) 3.511 6.766 ( 3.511 0.000 0.000) 3.511 6.960 ( -9.650 0.000 0.000) 9.650 6.960 ( 9.650 0.000 0.000) 9.650 7.070 ( -5.727 0.000 0.000) 5.727 7.070 ( 5.727 0.000 0.000) 5.727 7.119 ( -6.461 0.000 0.000) 6.461 7.119 ( 6.461 0.000 0.000) 6.461 7.826 ( -17.444 0.000 0.000) 17.444 7.826 ( 17.444 0.000 0.000) 17.444 7.880 ( -16.414 0.000 0.000) 16.414 7.880 ( 16.414 0.000 0.000) 16.414 8.028 ( -12.313 0.000 0.000) 12.313 8.028 ( 12.313 0.000 0.000) 12.313 8.268 ( -25.187 0.000 0.000) 25.187 8.268 ( 25.187 0.000 0.000) 25.187 8.728 ( -1.227 0.000 0.000) 1.227 8.728 ( 1.227 0.000 0.000) 1.227 8.845 ( -7.631 0.000 0.000) 7.631 8.845 ( 7.631 0.000 0.000) 7.631 9.033 ( -6.932 0.000 0.000) 6.932 9.033 ( 6.932 0.000 0.000) 6.932 9.303 ( -3.424 0.000 0.000) 3.424 9.303 ( 3.424 0.000 0.000) 3.424 9.521 ( -3.325 0.000 0.000) 3.325 9.521 ( 3.325 0.000 0.000) 3.325 9.642 ( -6.222 0.000 0.000) 6.222 9.642 ( 6.222 0.000 0.000) 6.222 9.681 ( -0.357 0.000 0.000) 0.357 9.681 ( 0.357 0.000 0.000) 0.357 9.716 ( -0.316 0.000 0.000) 0.316 9.716 ( 0.316 0.000 0.000) 0.316 9.827 ( -6.699 0.000 0.000) 6.699 9.827 ( 6.699 0.000 0.000) 6.699 9.978 ( -0.012 0.000 0.000) 0.012 9.978 ( 0.012 0.000 0.000) 0.012 10.154 ( -11.175 0.000 0.000) 11.175 10.154 ( 11.175 0.000 0.000) 11.175 10.210 ( -5.580 0.000 0.000) 5.580 10.210 ( 5.580 0.000 0.000) 5.580 10.719 ( -8.689 0.000 0.000) 8.689 10.719 ( 8.689 0.000 0.000) 8.689 10.915 ( -18.191 0.000 0.000) 18.191 10.915 ( 18.191 0.000 0.000) 18.191 11.250 ( -1.657 0.000 0.000) 1.657 11.250 ( 1.657 0.000 0.000) 1.657 11.437 ( -10.179 0.000 0.000) 10.179 11.437 ( 10.179 0.000 0.000) 10.179 11.884 ( -4.269 0.000 0.000) 4.269 11.884 ( 4.269 0.000 0.000) 4.269 12.222 ( -2.340 0.000 0.000) 2.340 12.222 ( 2.340 0.000 0.000) 2.340 12.542 ( -2.622 0.000 0.000) 2.622 12.542 ( 2.622 0.000 0.000) 2.622 12.684 ( -0.760 0.000 0.000) 0.760 12.684 ( 0.760 0.000 0.000) 0.760 13.842 ( -0.091 0.000 0.000) 0.091 13.842 ( 0.091 0.000 0.000) 0.091 13.901 ( -4.028 0.000 0.000) 4.028 13.901 ( 4.028 0.000 0.000) 4.028 14.151 ( -7.022 0.000 0.000) 7.022 14.151 ( 7.022 0.000 0.000) 7.022 14.204 ( -7.688 0.000 0.000) 7.688 14.204 ( 7.688 0.000 0.000) 7.688 14.292 ( -3.096 0.000 0.000) 3.096 14.292 ( 3.096 0.000 0.000) 3.096 14.568 ( -13.365 0.000 0.000) 13.365 14.568 ( 13.365 0.000 0.000) 13.365 14.634 ( -12.877 0.000 0.000) 12.877 14.634 ( 12.877 0.000 0.000) 12.877 14.700 ( -3.825 0.000 0.000) 3.825 14.700 ( 3.825 0.000 0.000) 3.825 14.786 ( -3.194 0.000 0.000) 3.194 14.786 ( 3.194 0.000 0.000) 3.194 14.905 ( -10.739 0.000 0.000) 10.739 14.905 ( 10.739 0.000 0.000) 10.739 15.017 ( -4.635 0.000 0.000) 4.635 15.017 ( 4.635 0.000 0.000) 4.635 15.123 ( -4.415 0.000 0.000) 4.415 15.123 ( 4.415 0.000 0.000) 4.415 15.339 ( -5.093 0.000 0.000) 5.093 15.339 ( 5.093 0.000 0.000) 5.093 15.451 ( -0.453 0.000 0.000) 0.453 15.451 ( 0.453 0.000 0.000) 0.453 15.611 ( -0.723 0.000 0.000) 0.723 15.611 ( 0.723 0.000 0.000) 0.723 15.855 ( -5.632 0.000 0.000) 5.632 15.855 ( 5.632 0.000 0.000) 5.632 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 43.035 0.000) 43.035 1.019 ( 0.000 46.170 0.000) 46.170 1.411 ( 0.000 62.881 0.000) 62.881 2.982 ( 0.000 2.888 0.000) 2.888 3.323 ( 0.000 3.059 0.000) 3.059 3.483 ( 0.000 -28.303 0.000) 28.303 3.541 ( 0.000 -11.066 0.000) 11.066 3.551 ( 0.000 -16.969 0.000) 16.969 3.582 ( 0.000 -2.608 0.000) 2.608 3.639 ( 0.000 -6.226 0.000) 6.226 3.643 ( 0.000 -18.726 0.000) 18.726 3.996 ( 0.000 6.169 0.000) 6.169 4.195 ( 0.000 -4.690 0.000) 4.690 4.224 ( 0.000 -1.186 0.000) 1.186 4.248 ( 0.000 -1.293 0.000) 1.293 4.444 ( 0.000 -7.429 0.000) 7.429 4.581 ( 0.000 0.169 0.000) 0.169 4.606 ( 0.000 7.998 0.000) 7.998 4.721 ( 0.000 -11.765 0.000) 11.765 4.916 ( 0.000 2.167 0.000) 2.167 4.946 ( 0.000 11.150 0.000) 11.150 5.050 ( 0.000 17.000 0.000) 17.000 5.166 ( 0.000 -10.113 0.000) 10.113 5.204 ( 0.000 3.085 0.000) 3.085 5.384 ( 0.000 12.649 0.000) 12.649 5.477 ( 0.000 -0.592 0.000) 0.592 5.646 ( 0.000 0.569 0.000) 0.569 5.757 ( 0.000 -8.008 0.000) 8.008 5.865 ( 0.000 6.003 0.000) 6.003 6.019 ( 0.000 -1.686 0.000) 1.686 6.196 ( 0.000 -5.528 0.000) 5.528 6.251 ( 0.000 8.108 0.000) 8.108 6.283 ( 0.000 -1.124 0.000) 1.124 6.541 ( 0.000 11.222 0.000) 11.222 6.876 ( 0.000 0.376 0.000) 0.376 6.943 ( 0.000 -7.574 0.000) 7.574 7.083 ( 0.000 0.493 0.000) 0.493 7.088 ( 0.000 0.296 0.000) 0.296 7.186 ( 0.000 -6.462 0.000) 6.462 7.253 ( 0.000 -7.533 0.000) 7.533 7.285 ( 0.000 1.679 0.000) 1.679 7.529 ( 0.000 3.170 0.000) 3.170 7.672 ( 0.000 -7.456 0.000) 7.456 7.754 ( 0.000 -3.234 0.000) 3.234 8.257 ( 0.000 -0.529 0.000) 0.529 8.373 ( 0.000 -3.091 0.000) 3.091 8.468 ( 0.000 0.607 0.000) 0.607 8.472 ( 0.000 -0.053 0.000) 0.053 8.893 ( 0.000 -12.452 0.000) 12.452 8.901 ( 0.000 -8.331 0.000) 8.331 8.931 ( 0.000 7.092 0.000) 7.092 9.093 ( 0.000 8.054 0.000) 8.054 9.114 ( 0.000 5.588 0.000) 5.588 9.190 ( 0.000 -1.158 0.000) 1.158 9.251 ( 0.000 2.918 0.000) 2.918 9.336 ( 0.000 2.352 0.000) 2.352 9.397 ( 0.000 -0.012 0.000) 0.012 9.415 ( 0.000 -1.776 0.000) 1.776 9.468 ( 0.000 0.435 0.000) 0.435 9.643 ( 0.000 -3.018 0.000) 3.018 9.656 ( 0.000 -0.251 0.000) 0.251 9.723 ( 0.000 -4.758 0.000) 4.758 9.761 ( 0.000 9.509 0.000) 9.509 9.845 ( 0.000 3.437 0.000) 3.437 9.875 ( 0.000 1.839 0.000) 1.839 9.928 ( 0.000 15.066 0.000) 15.066 10.032 ( 0.000 3.714 0.000) 3.714 10.037 ( 0.000 -4.248 0.000) 4.248 10.108 ( 0.000 -0.933 0.000) 0.933 10.208 ( 0.000 1.819 0.000) 1.819 10.310 ( 0.000 -2.602 0.000) 2.602 10.396 ( 0.000 3.710 0.000) 3.710 10.487 ( 0.000 -3.836 0.000) 3.836 10.631 ( 0.000 -7.655 0.000) 7.655 10.679 ( 0.000 -3.771 0.000) 3.771 11.310 ( 0.000 6.291 0.000) 6.291 11.483 ( 0.000 -13.656 0.000) 13.656 11.522 ( 0.000 1.309 0.000) 1.309 11.843 ( 0.000 1.842 0.000) 1.842 11.861 ( 0.000 5.462 0.000) 5.462 11.945 ( 0.000 3.692 0.000) 3.692 12.037 ( 0.000 -1.748 0.000) 1.748 12.123 ( 0.000 -0.123 0.000) 0.123 12.320 ( 0.000 -6.283 0.000) 6.283 12.522 ( 0.000 1.623 0.000) 1.623 12.677 ( 0.000 4.062 0.000) 4.062 12.747 ( 0.000 -1.901 0.000) 1.901 12.766 ( 0.000 1.325 0.000) 1.325 13.733 ( 0.000 0.820 0.000) 0.820 13.765 ( 0.000 2.161 0.000) 2.161 13.829 ( 0.000 1.496 0.000) 1.496 13.879 ( 0.000 -0.690 0.000) 0.690 14.066 ( 0.000 6.236 0.000) 6.236 14.196 ( 0.000 3.066 0.000) 3.066 14.261 ( 0.000 -3.731 0.000) 3.731 14.294 ( 0.000 1.005 0.000) 1.005 14.448 ( 0.000 0.416 0.000) 0.416 14.495 ( 0.000 2.668 0.000) 2.668 14.528 ( 0.000 3.446 0.000) 3.446 14.535 ( 0.000 0.982 0.000) 0.982 14.540 ( 0.000 -4.358 0.000) 4.358 14.594 ( 0.000 8.233 0.000) 8.233 14.630 ( 0.000 -0.565 0.000) 0.565 14.919 ( 0.000 -5.509 0.000) 5.509 14.944 ( 0.000 -1.802 0.000) 1.802 14.962 ( 0.000 -2.437 0.000) 2.437 15.048 ( 0.000 -4.302 0.000) 4.302 15.298 ( 0.000 0.870 0.000) 0.870 15.313 ( 0.000 3.115 0.000) 3.115 15.345 ( 0.000 -7.049 0.000) 7.049 15.404 ( 0.000 -1.383 0.000) 1.383 15.530 ( 0.000 -2.028 0.000) 2.028 15.597 ( 0.000 0.442 0.000) 0.442 15.640 ( 0.000 -0.135 0.000) 0.135 15.670 ( 0.000 -2.661 0.000) 2.661 15.671 ( 0.000 -0.166 0.000) 0.166 16.002 ( 0.000 1.458 0.000) 1.458 16.167 ( 0.000 6.846 0.000) 6.846 16.226 ( 0.000 -3.147 0.000) 3.147 16.495 ( 0.000 -1.713 0.000) 1.713 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 24.657 30.967 0.000) 39.585 1.244 ( 20.248 36.481 0.000) 41.723 2.006 ( 46.996 43.307 0.000) 63.907 3.084 ( 9.688 3.809 0.000) 10.410 3.508 ( 10.723 -12.517 0.000) 16.482 3.561 ( 4.043 -8.175 0.000) 9.120 3.586 ( 12.814 -13.049 0.000) 18.289 3.596 ( 1.691 -19.024 0.000) 19.099 3.694 ( 4.581 -8.709 0.000) 9.840 3.699 ( 9.218 -0.161 0.000) 9.219 3.788 ( 14.050 -11.103 0.000) 17.907 4.019 ( 2.925 1.101 0.000) 3.126 4.179 ( -1.235 -1.893 0.000) 2.260 4.244 ( 0.826 -1.816 0.000) 1.995 4.278 ( 2.995 -1.642 0.000) 3.415 4.456 ( 0.876 -5.339 0.000) 5.410 4.601 ( 1.967 -6.893 0.000) 7.168 4.731 ( 1.267 -8.564 0.000) 8.658 4.863 ( 22.921 4.322 0.000) 23.325 4.936 ( -1.047 8.481 0.000) 8.546 5.004 ( 9.547 3.072 0.000) 10.029 5.025 ( -2.148 15.106 0.000) 15.258 5.238 ( 2.934 5.798 0.000) 6.498 5.352 ( 10.471 -3.142 0.000) 10.932 5.465 ( 8.933 9.726 0.000) 13.206 5.597 ( -3.573 1.847 0.000) 4.022 5.622 ( 14.098 -6.458 0.000) 15.506 5.729 ( 1.765 1.289 0.000) 2.186 5.899 ( 4.215 0.367 0.000) 4.231 6.026 ( -0.447 -1.216 0.000) 1.296 6.205 ( 1.215 -4.924 0.000) 5.072 6.259 ( 0.304 6.873 0.000) 6.880 6.326 ( 4.267 -1.182 0.000) 4.427 6.566 ( 2.345 7.652 0.000) 8.003 6.860 ( -0.979 0.062 0.000) 0.981 6.919 ( -2.642 -5.243 0.000) 5.871 7.025 ( -2.654 -2.920 0.000) 3.945 7.071 ( -11.655 4.503 0.000) 12.494 7.125 ( 1.432 -1.287 0.000) 1.926 7.206 ( 1.407 -2.617 0.000) 2.971 7.292 ( 1.850 -1.516 0.000) 2.392 7.499 ( 0.279 5.581 0.000) 5.588 7.647 ( -2.482 -7.144 0.000) 7.563 7.740 ( -1.615 -2.496 0.000) 2.973 8.254 ( -0.510 -0.627 0.000) 0.808 8.336 ( -2.953 -1.723 0.000) 3.419 8.453 ( -0.808 0.208 0.000) 0.834 8.504 ( 2.102 0.279 0.000) 2.120 8.825 ( -2.936 -7.595 0.000) 8.143 8.950 ( -0.973 1.266 0.000) 1.597 8.985 ( 3.616 -8.270 0.000) 9.026 9.080 ( -0.554 3.975 0.000) 4.013 9.103 ( -0.353 3.589 0.000) 3.607 9.225 ( -2.381 4.262 0.000) 4.882 9.283 ( 1.800 1.051 0.000) 2.084 9.320 ( 2.053 -2.412 0.000) 3.167 9.390 ( -1.377 0.204 0.000) 1.392 9.419 ( 0.369 -1.036 0.000) 1.100 9.462 ( -0.098 0.703 0.000) 0.709 9.648 ( -0.181 -0.244 0.000) 0.304 9.650 ( 0.641 -2.730 0.000) 2.804 9.756 ( 2.259 -4.669 0.000) 5.187 9.757 ( -0.347 7.608 0.000) 7.615 9.809 ( -1.219 9.187 0.000) 9.267 9.879 ( 0.487 1.218 0.000) 1.312 9.950 ( -1.891 -1.595 0.000) 2.474 10.040 ( -0.322 -4.056 0.000) 4.069 10.075 ( 5.660 9.007 0.000) 10.638 10.083 ( -2.047 0.501 0.000) 2.107 10.163 ( -9.929 2.487 0.000) 10.235 10.241 ( 2.953 5.148 0.000) 5.935 10.386 ( -0.463 4.393 0.000) 4.418 10.471 ( -1.366 -4.413 0.000) 4.620 10.647 ( -2.964 -2.308 0.000) 3.757 10.699 ( 5.485 -9.787 0.000) 11.220 11.298 ( -1.703 6.722 0.000) 6.934 11.435 ( -4.582 -12.835 0.000) 13.628 11.494 ( -2.285 1.052 0.000) 2.515 11.799 ( -5.366 4.980 0.000) 7.321 11.828 ( -2.277 1.956 0.000) 3.002 11.917 ( -2.674 3.451 0.000) 4.366 12.053 ( 1.407 -1.931 0.000) 2.389 12.106 ( -1.697 0.025 0.000) 1.698 12.288 ( -2.357 -4.930 0.000) 5.465 12.509 ( -1.177 1.505 0.000) 1.911 12.665 ( -1.074 4.076 0.000) 4.215 12.729 ( -1.645 -2.112 0.000) 2.677 12.764 ( -0.374 0.869 0.000) 0.946 13.744 ( 1.821 0.249 0.000) 1.838 13.808 ( 3.051 1.184 0.000) 3.273 13.856 ( 0.796 0.690 0.000) 1.054 13.880 ( 2.025 1.078 0.000) 2.294 14.026 ( -3.322 6.248 0.000) 7.076 14.198 ( 0.493 3.559 0.000) 3.593 14.260 ( -2.879 1.807 0.000) 3.399 14.270 ( -0.066 -3.272 0.000) 3.273 14.424 ( -2.251 1.562 0.000) 2.740 14.463 ( -4.292 1.983 0.000) 4.728 14.494 ( 0.425 1.409 0.000) 1.471 14.517 ( -1.929 1.441 0.000) 2.408 14.563 ( 2.011 -3.257 0.000) 3.828 14.609 ( -1.958 -0.751 0.000) 2.097 14.613 ( 0.481 6.335 0.000) 6.353 14.923 ( 0.103 -5.325 0.000) 5.326 14.927 ( -1.526 -1.806 0.000) 2.364 14.948 ( -1.226 -1.735 0.000) 2.124 15.017 ( -2.896 -4.370 0.000) 5.242 15.282 ( -1.982 0.707 0.000) 2.104 15.290 ( -4.489 -4.786 0.000) 6.562 15.309 ( -0.924 1.997 0.000) 2.200 15.382 ( -2.109 -1.204 0.000) 2.428 15.511 ( -1.653 -1.987 0.000) 2.585 15.561 ( -3.643 0.306 0.000) 3.656 15.641 ( -0.455 -0.588 0.000) 0.743 15.644 ( -2.591 -2.514 0.000) 3.610 15.672 ( 0.538 -0.326 0.000) 0.629 15.880 ( -11.750 1.188 0.000) 11.810 16.055 ( -10.530 7.050 0.000) 12.672 16.115 ( -10.595 -2.877 0.000) 10.979 16.408 ( -8.237 -1.928 0.000) 8.459 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 27.523 23.421 0.000) 36.139 1.808 ( 32.606 14.579 0.000) 35.717 2.984 ( 46.002 27.472 0.000) 53.581 3.328 ( 12.818 3.479 0.000) 13.281 3.624 ( 1.667 -20.451 0.000) 20.519 3.632 ( 1.779 -7.668 0.000) 7.872 3.670 ( -7.183 -1.873 0.000) 7.423 3.682 ( 6.763 -14.504 0.000) 16.004 3.802 ( 6.098 -8.502 0.000) 10.463 4.009 ( 17.305 0.975 0.000) 17.333 4.081 ( 10.652 1.081 0.000) 10.707 4.143 ( 6.867 -3.945 0.000) 7.919 4.189 ( 1.676 0.424 0.000) 1.729 4.233 ( 2.730 -8.362 0.000) 8.796 4.365 ( 3.760 -4.614 0.000) 5.952 4.447 ( -0.360 -2.785 0.000) 2.808 4.675 ( 4.872 -5.027 0.000) 7.000 4.780 ( 4.036 -7.215 0.000) 8.267 4.907 ( -1.468 3.515 0.000) 3.809 4.975 ( -2.750 13.016 0.000) 13.304 5.179 ( 5.294 3.700 0.000) 6.459 5.288 ( 9.442 -2.412 0.000) 9.746 5.306 ( 3.467 6.774 0.000) 7.609 5.548 ( -0.770 1.776 0.000) 1.936 5.587 ( 11.761 3.079 0.000) 12.157 5.731 ( 16.957 11.714 0.000) 20.610 5.828 ( 22.167 6.213 0.000) 23.021 5.969 ( -5.317 1.886 0.000) 5.642 5.992 ( 14.609 -5.743 0.000) 15.697 6.223 ( -1.886 -1.470 0.000) 2.391 6.252 ( 29.720 -4.326 0.000) 30.033 6.275 ( 3.490 1.098 0.000) 3.659 6.467 ( 9.948 -1.918 0.000) 10.132 6.636 ( 5.322 1.980 0.000) 5.679 6.820 ( -3.570 -3.547 0.000) 5.033 6.886 ( 0.168 -0.388 0.000) 0.423 6.914 ( -4.175 2.213 0.000) 4.725 6.977 ( -1.997 -3.724 0.000) 4.226 7.152 ( 1.213 -1.066 0.000) 1.615 7.224 ( 0.123 -0.570 0.000) 0.583 7.369 ( 6.281 -2.153 0.000) 6.640 7.540 ( 3.857 3.446 0.000) 5.173 7.585 ( -2.586 -4.005 0.000) 4.768 7.721 ( 0.640 -2.266 0.000) 2.355 8.225 ( -2.654 -0.262 0.000) 2.667 8.276 ( -3.157 0.482 0.000) 3.194 8.415 ( -3.645 -0.134 0.000) 3.648 8.555 ( 2.697 0.372 0.000) 2.723 8.771 ( -2.611 -4.558 0.000) 5.253 8.891 ( -4.127 3.279 0.000) 5.271 8.976 ( -3.433 5.532 0.000) 6.511 9.098 ( -0.687 -0.347 0.000) 0.769 9.104 ( -1.382 -4.534 0.000) 4.740 9.183 ( 1.089 -0.324 0.000) 1.136 9.248 ( -2.276 3.635 0.000) 4.289 9.318 ( -5.117 1.679 0.000) 5.385 9.385 ( 2.099 -5.354 0.000) 5.751 9.428 ( 0.533 0.532 0.000) 0.753 9.489 ( 2.446 0.184 0.000) 2.452 9.642 ( -0.964 -1.022 0.000) 1.405 9.667 ( 1.059 -1.591 0.000) 1.911 9.751 ( -0.388 4.756 0.000) 4.771 9.795 ( 1.504 -3.276 0.000) 3.605 9.803 ( -0.190 6.257 0.000) 6.260 9.895 ( 0.080 0.156 0.000) 0.175 9.902 ( -1.104 -0.143 0.000) 1.113 9.996 ( -4.430 6.989 0.000) 8.275 10.004 ( -3.214 -5.293 0.000) 6.192 10.052 ( -1.406 -0.940 0.000) 1.691 10.168 ( 1.992 0.640 0.000) 2.093 10.276 ( -1.704 7.164 0.000) 7.363 10.405 ( 2.875 3.956 0.000) 4.890 10.481 ( 4.313 -1.636 0.000) 4.613 10.557 ( -5.404 -2.367 0.000) 5.900 10.830 ( 6.809 -10.614 0.000) 12.610 11.237 ( -4.299 6.807 0.000) 8.051 11.316 ( -6.599 -10.456 0.000) 12.365 11.427 ( -4.273 0.198 0.000) 4.278 11.627 ( -11.822 4.560 0.000) 12.671 11.754 ( -5.766 0.046 0.000) 5.766 11.860 ( -2.017 3.732 0.000) 4.242 12.057 ( -3.071 0.457 0.000) 3.105 12.087 ( 1.958 -2.509 0.000) 3.183 12.244 ( -1.858 -4.237 0.000) 4.626 12.487 ( -0.592 1.277 0.000) 1.408 12.638 ( -1.479 3.506 0.000) 3.806 12.689 ( -2.004 -2.468 0.000) 3.179 12.748 ( -1.263 0.267 0.000) 1.291 13.806 ( 3.665 0.404 0.000) 3.687 13.844 ( 0.787 -0.975 0.000) 1.253 13.894 ( 3.957 1.685 0.000) 4.301 13.952 ( 4.233 2.054 0.000) 4.705 13.957 ( -3.202 6.009 0.000) 6.809 14.174 ( -5.076 3.959 0.000) 6.438 14.228 ( 2.558 4.689 0.000) 5.341 14.263 ( -0.388 -1.659 0.000) 1.704 14.364 ( -3.399 0.623 0.000) 3.456 14.394 ( -2.618 0.410 0.000) 2.650 14.466 ( -2.722 1.961 0.000) 3.355 14.520 ( 2.139 -0.329 0.000) 2.164 14.551 ( -3.347 -0.810 0.000) 3.444 14.609 ( 2.358 -2.933 0.000) 3.763 14.622 ( 1.051 3.930 0.000) 4.068 14.874 ( -3.685 -2.717 0.000) 4.578 14.911 ( -1.656 -4.874 0.000) 5.148 14.929 ( -2.171 0.067 0.000) 2.172 14.946 ( -2.239 -4.397 0.000) 4.934 15.174 ( -5.938 -3.233 0.000) 6.761 15.201 ( -6.651 1.338 0.000) 6.784 15.294 ( -0.692 2.220 0.000) 2.326 15.321 ( -4.034 -0.569 0.000) 4.074 15.446 ( -7.897 0.496 0.000) 7.913 15.474 ( -1.815 -1.723 0.000) 2.502 15.557 ( -18.337 1.476 0.000) 18.397 15.570 ( -5.722 -2.670 0.000) 6.315 15.622 ( -0.969 -0.043 0.000) 0.970 15.696 ( 1.673 -1.558 0.000) 2.287 15.786 ( -15.382 2.178 0.000) 15.536 15.846 ( -13.345 1.677 0.000) 13.450 16.195 ( -11.839 -2.444 0.000) 12.088 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 28.226 14.756 0.000) 31.850 2.468 ( 32.132 3.962 0.000) 32.375 3.334 ( -19.908 6.885 0.000) 21.065 3.487 ( -5.646 -7.761 0.000) 9.597 3.587 ( -1.595 -4.243 0.000) 4.533 3.659 ( 0.749 -18.075 0.000) 18.091 3.785 ( 28.776 14.807 0.000) 32.362 3.842 ( 8.589 -15.746 0.000) 17.937 3.944 ( 8.667 -1.618 0.000) 8.817 4.148 ( 2.721 8.533 0.000) 8.956 4.155 ( -4.600 -7.845 0.000) 9.094 4.256 ( 6.227 3.203 0.000) 7.002 4.256 ( 7.393 3.587 0.000) 8.217 4.328 ( -3.953 -3.472 0.000) 5.261 4.444 ( 7.726 -7.670 0.000) 10.887 4.506 ( 1.228 4.451 0.000) 4.618 4.748 ( 2.666 1.963 0.000) 3.311 4.883 ( 4.717 -8.734 0.000) 9.926 4.889 ( 0.053 -2.174 0.000) 2.175 4.910 ( -3.784 9.167 0.000) 9.918 5.268 ( 4.719 1.580 0.000) 4.977 5.348 ( 2.421 -2.548 0.000) 3.515 5.354 ( 0.897 3.782 0.000) 3.887 5.551 ( -0.406 -2.165 0.000) 2.203 5.746 ( 4.534 7.876 0.000) 9.088 5.837 ( -6.258 6.482 0.000) 9.010 5.935 ( 4.682 2.027 0.000) 5.102 6.143 ( -5.250 -0.620 0.000) 5.286 6.333 ( 21.313 1.610 0.000) 21.373 6.383 ( 6.431 -1.603 0.000) 6.628 6.514 ( 23.508 -1.663 0.000) 23.567 6.638 ( 8.888 -1.072 0.000) 8.953 6.674 ( 9.653 -1.576 0.000) 9.781 6.755 ( -2.695 -4.003 0.000) 4.826 6.841 ( -4.501 -0.511 0.000) 4.530 6.884 ( 12.870 -1.022 0.000) 12.911 6.938 ( 10.893 -0.203 0.000) 10.895 6.984 ( 1.537 -1.510 0.000) 2.154 7.161 ( -0.942 0.373 0.000) 1.014 7.205 ( -2.074 -0.043 0.000) 2.075 7.545 ( 10.989 -0.426 0.000) 10.997 7.623 ( 7.900 0.593 0.000) 7.922 7.720 ( 16.400 -1.810 0.000) 16.500 7.809 ( 10.041 -1.554 0.000) 10.160 8.138 ( -7.070 1.433 0.000) 7.214 8.156 ( -10.145 1.208 0.000) 10.217 8.280 ( -10.247 0.335 0.000) 10.252 8.534 ( -8.200 -4.884 0.000) 9.544 8.762 ( 3.551 3.666 0.000) 5.104 8.813 ( -2.890 4.657 0.000) 5.481 8.917 ( -1.213 1.995 0.000) 2.334 8.975 ( -8.248 4.350 0.000) 9.325 9.030 ( -6.175 0.152 0.000) 6.177 9.165 ( -8.102 0.971 0.000) 8.160 9.267 ( 4.978 -6.586 0.000) 8.255 9.270 ( 3.410 2.962 0.000) 4.517 9.436 ( 1.981 -5.520 0.000) 5.865 9.437 ( 0.036 1.618 0.000) 1.618 9.536 ( 2.297 -0.917 0.000) 2.473 9.613 ( -0.688 -2.101 0.000) 2.211 9.681 ( -0.909 -1.748 0.000) 1.971 9.710 ( -3.097 -1.525 0.000) 3.452 9.793 ( -0.332 6.826 0.000) 6.834 9.801 ( -1.807 -1.650 0.000) 2.447 9.863 ( 0.547 5.348 0.000) 5.376 9.915 ( -3.511 -6.670 0.000) 7.538 9.961 ( 4.930 1.957 0.000) 5.304 9.977 ( -2.321 2.657 0.000) 3.528 10.071 ( 5.082 -1.196 0.000) 5.221 10.103 ( -6.972 2.846 0.000) 7.531 10.244 ( -0.498 -0.803 0.000) 0.945 10.360 ( -8.663 -0.525 0.000) 8.679 10.605 ( 11.531 1.157 0.000) 11.589 10.607 ( 6.614 2.583 0.000) 7.100 10.909 ( -1.628 -3.426 0.000) 3.793 11.174 ( 0.664 -0.717 0.000) 0.977 11.206 ( -3.452 -7.028 0.000) 7.830 11.326 ( -17.499 3.806 0.000) 17.908 11.347 ( -2.519 0.422 0.000) 2.554 11.598 ( -9.213 -2.068 0.000) 9.442 11.853 ( 1.315 3.124 0.000) 3.390 11.985 ( -3.953 1.124 0.000) 4.110 12.131 ( 2.319 -3.294 0.000) 4.028 12.211 ( -1.547 -4.038 0.000) 4.324 12.500 ( 2.031 1.128 0.000) 2.323 12.606 ( -1.827 2.287 0.000) 2.927 12.661 ( -0.581 -2.226 0.000) 2.300 12.711 ( -2.279 -0.364 0.000) 2.308 13.842 ( 0.904 0.967 0.000) 1.324 13.900 ( 3.705 3.344 0.000) 4.991 13.903 ( -2.174 4.660 0.000) 5.142 14.002 ( 6.691 -1.442 0.000) 6.845 14.047 ( 5.247 1.170 0.000) 5.376 14.070 ( -5.062 5.572 0.000) 7.528 14.261 ( -2.057 -2.055 0.000) 2.908 14.282 ( -5.249 -2.868 0.000) 5.982 14.295 ( 3.704 5.494 0.000) 6.626 14.349 ( 1.039 2.797 0.000) 2.983 14.434 ( -1.299 2.738 0.000) 3.031 14.518 ( 2.523 2.123 0.000) 3.297 14.575 ( 2.986 -1.847 0.000) 3.511 14.652 ( 1.442 -4.262 0.000) 4.499 14.690 ( 5.914 0.568 0.000) 5.941 14.793 ( -3.828 -2.246 0.000) 4.438 14.819 ( -8.951 -2.385 0.000) 9.263 14.848 ( -3.402 -2.076 0.000) 3.985 14.951 ( 0.835 -1.562 0.000) 1.771 15.022 ( -8.527 3.878 0.000) 9.367 15.087 ( -1.916 -1.589 0.000) 2.489 15.149 ( -19.525 0.948 0.000) 19.548 15.202 ( -8.706 0.884 0.000) 8.750 15.260 ( -10.219 -0.301 0.000) 10.224 15.290 ( 0.627 1.372 0.000) 1.509 15.444 ( -1.016 -1.416 0.000) 1.743 15.455 ( -7.702 -2.428 0.000) 8.076 15.498 ( -7.938 -1.581 0.000) 8.093 15.611 ( -0.046 0.462 0.000) 0.465 15.675 ( -4.439 3.128 0.000) 5.430 15.741 ( 2.957 -2.328 0.000) 3.764 15.973 ( -9.470 -2.824 0.000) 9.883 ======================= Grid point 13 (10/45) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -23.696 8.647 0.000) 25.224 2.851 ( 23.696 8.647 0.000) 25.224 3.088 ( -25.141 -2.883 0.000) 25.305 3.088 ( 25.141 -2.883 0.000) 25.305 3.638 ( -2.242 -12.922 0.000) 13.116 3.638 ( 2.242 -12.922 0.000) 13.116 4.000 ( -7.070 -13.701 0.000) 15.418 4.000 ( 7.070 -13.701 0.000) 15.418 4.120 ( -3.242 10.699 0.000) 11.179 4.120 ( 3.242 10.699 0.000) 11.179 4.215 ( -2.898 3.919 0.000) 4.874 4.215 ( 2.898 3.919 0.000) 4.874 4.351 ( -0.659 3.931 0.000) 3.985 4.351 ( 0.659 3.931 0.000) 3.985 4.476 ( -0.343 2.247 0.000) 2.273 4.476 ( 0.343 2.247 0.000) 2.273 4.821 ( -4.512 4.703 0.000) 6.518 4.821 ( 4.512 4.703 0.000) 6.518 4.916 ( -1.193 -8.284 0.000) 8.369 4.916 ( 1.193 -8.284 0.000) 8.369 5.341 ( -2.111 2.875 0.000) 3.567 5.341 ( 2.111 2.875 0.000) 3.567 5.464 ( -7.584 -5.347 0.000) 9.279 5.464 ( 7.584 -5.347 0.000) 9.279 5.780 ( -0.177 8.416 0.000) 8.418 5.780 ( 0.177 8.416 0.000) 8.418 6.032 ( -5.337 0.020 0.000) 5.337 6.032 ( 5.337 0.020 0.000) 5.337 6.494 ( -2.673 -1.946 0.000) 3.306 6.494 ( 2.673 -1.946 0.000) 3.306 6.696 ( -3.744 -4.181 0.000) 5.612 6.696 ( 3.744 -4.181 0.000) 5.612 6.744 ( -4.988 -0.529 0.000) 5.016 6.744 ( 4.988 -0.529 0.000) 5.016 6.955 ( -6.711 -1.593 0.000) 6.897 6.955 ( 6.711 -1.593 0.000) 6.897 7.075 ( -8.344 1.587 0.000) 8.494 7.075 ( 8.344 1.587 0.000) 8.494 7.137 ( -5.349 1.173 0.000) 5.476 7.137 ( 5.349 1.173 0.000) 5.476 7.849 ( -17.511 1.495 0.000) 17.574 7.849 ( 17.511 1.495 0.000) 17.574 7.897 ( -17.137 1.352 0.000) 17.190 7.897 ( 17.137 1.352 0.000) 17.190 8.027 ( -13.807 -0.061 0.000) 13.808 8.027 ( 13.807 -0.061 0.000) 13.808 8.207 ( -22.700 -4.519 0.000) 23.146 8.207 ( 22.700 -4.519 0.000) 23.146 8.808 ( -2.731 5.966 0.000) 6.561 8.808 ( 2.731 5.966 0.000) 6.561 8.894 ( -5.970 4.238 0.000) 7.321 8.894 ( 5.970 4.238 0.000) 7.321 8.998 ( -7.246 -2.060 0.000) 7.533 8.998 ( 7.246 -2.060 0.000) 7.533 9.339 ( -0.114 0.580 0.000) 0.592 9.339 ( 0.114 0.580 0.000) 0.592 9.426 ( -0.407 -3.804 0.000) 3.826 9.426 ( 0.407 -3.804 0.000) 3.826 9.602 ( -4.155 -3.070 0.000) 5.166 9.602 ( 4.155 -3.070 0.000) 5.166 9.661 ( -4.215 -2.000 0.000) 4.665 9.661 ( 4.215 -2.000 0.000) 4.665 9.771 ( -0.049 2.660 0.000) 2.660 9.771 ( 0.049 2.660 0.000) 2.660 9.909 ( -2.153 2.543 0.000) 3.332 9.909 ( 2.153 2.543 0.000) 3.332 9.933 ( -4.673 0.855 0.000) 4.751 9.933 ( 4.673 0.855 0.000) 4.751 10.142 ( -6.050 -1.148 0.000) 6.158 10.142 ( 6.050 -1.148 0.000) 6.158 10.209 ( -1.074 -0.983 0.000) 1.456 10.209 ( 1.074 -0.983 0.000) 1.456 10.739 ( -5.760 2.191 0.000) 6.163 10.739 ( 5.760 2.191 0.000) 6.163 10.961 ( -16.161 3.487 0.000) 16.533 10.961 ( 16.161 3.487 0.000) 16.533 11.192 ( -0.774 -4.372 0.000) 4.440 11.192 ( 0.774 -4.372 0.000) 4.440 11.408 ( -8.460 -2.909 0.000) 8.946 11.408 ( 8.460 -2.909 0.000) 8.946 11.906 ( -3.616 2.048 0.000) 4.156 11.906 ( 3.616 2.048 0.000) 4.156 12.176 ( -2.044 -3.848 0.000) 4.357 12.176 ( 2.044 -3.848 0.000) 4.357 12.557 ( -3.029 1.270 0.000) 3.285 12.557 ( 3.029 1.270 0.000) 3.285 12.670 ( -1.440 -1.209 0.000) 1.880 12.670 ( 1.440 -1.209 0.000) 1.880 13.867 ( -1.520 2.625 0.000) 3.033 13.867 ( 1.520 2.625 0.000) 3.033 13.977 ( -4.119 5.669 0.000) 7.007 13.977 ( 4.119 5.669 0.000) 7.007 14.148 ( -7.343 -2.075 0.000) 7.630 14.148 ( 7.343 -2.075 0.000) 7.630 14.163 ( -6.098 -1.220 0.000) 6.219 14.163 ( 6.098 -1.220 0.000) 6.219 14.364 ( -2.867 5.478 0.000) 6.183 14.364 ( 2.867 5.478 0.000) 6.183 14.521 ( -11.037 -1.786 0.000) 11.180 14.521 ( 11.037 -1.786 0.000) 11.180 14.626 ( -2.945 -2.017 0.000) 3.570 14.626 ( 2.945 -2.017 0.000) 3.570 14.712 ( -0.918 0.125 0.000) 0.926 14.712 ( 0.918 0.125 0.000) 0.926 14.825 ( -7.170 2.759 0.000) 7.683 14.825 ( 7.170 2.759 0.000) 7.683 14.911 ( -9.172 1.067 0.000) 9.234 14.911 ( 9.172 1.067 0.000) 9.234 14.989 ( -5.567 -2.622 0.000) 6.154 14.989 ( 5.567 -2.622 0.000) 6.154 15.114 ( -4.406 -0.988 0.000) 4.515 15.114 ( 4.406 -0.988 0.000) 4.515 15.330 ( -3.643 -0.220 0.000) 3.650 15.330 ( 3.643 -0.220 0.000) 3.650 15.439 ( -0.708 -1.212 0.000) 1.403 15.439 ( 0.708 -1.212 0.000) 1.403 15.623 ( -1.341 1.223 0.000) 1.815 15.623 ( 1.341 1.223 0.000) 1.815 15.823 ( -5.522 -2.736 0.000) 6.163 15.823 ( 5.522 -2.736 0.000) 6.163 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 40.154 0.000) 40.154 1.991 ( 0.000 42.892 0.000) 42.892 2.536 ( 0.000 7.893 0.000) 7.893 2.849 ( 0.000 -32.970 0.000) 32.970 2.931 ( 0.000 10.643 0.000) 10.643 3.138 ( 0.000 2.781 0.000) 2.781 3.305 ( 0.000 -9.918 0.000) 9.918 3.406 ( 0.000 3.565 0.000) 3.565 3.443 ( 0.000 -2.534 0.000) 2.534 3.491 ( 0.000 -5.972 0.000) 5.972 3.527 ( 0.000 -3.384 0.000) 3.384 3.841 ( 0.000 -36.272 0.000) 36.272 4.112 ( 0.000 4.566 0.000) 4.566 4.192 ( 0.000 -2.582 0.000) 2.582 4.195 ( 0.000 -2.058 0.000) 2.058 4.197 ( 0.000 -3.767 0.000) 3.767 4.531 ( 0.000 -1.295 0.000) 1.295 4.555 ( 0.000 -3.326 0.000) 3.326 4.786 ( 0.000 8.058 0.000) 8.058 4.965 ( 0.000 -8.560 0.000) 8.560 5.105 ( 0.000 11.246 0.000) 11.246 5.166 ( 0.000 7.578 0.000) 7.578 5.248 ( 0.000 -0.123 0.000) 0.123 5.339 ( 0.000 -9.792 0.000) 9.792 5.397 ( 0.000 13.624 0.000) 13.624 5.596 ( 0.000 6.571 0.000) 6.571 5.607 ( 0.000 -5.317 0.000) 5.317 5.680 ( 0.000 -1.801 0.000) 1.801 6.021 ( 0.000 1.499 0.000) 1.499 6.039 ( 0.000 9.028 0.000) 9.028 6.079 ( 0.000 -4.160 0.000) 4.160 6.211 ( 0.000 -5.911 0.000) 5.911 6.458 ( 0.000 11.125 0.000) 11.125 6.723 ( 0.000 -12.199 0.000) 12.199 6.793 ( 0.000 11.845 0.000) 11.845 6.911 ( 0.000 3.255 0.000) 3.255 7.023 ( 0.000 -6.873 0.000) 6.873 7.046 ( 0.000 -11.004 0.000) 11.004 7.093 ( 0.000 0.328 0.000) 0.328 7.095 ( 0.000 0.061 0.000) 0.061 7.355 ( 0.000 4.880 0.000) 4.880 7.496 ( 0.000 -7.824 0.000) 7.824 7.600 ( 0.000 3.341 0.000) 3.341 7.676 ( 0.000 -3.661 0.000) 3.661 8.260 ( 0.000 1.057 0.000) 1.057 8.305 ( 0.000 -2.923 0.000) 2.923 8.490 ( 0.000 1.283 0.000) 1.283 8.496 ( 0.000 1.455 0.000) 1.455 8.697 ( 0.000 -4.288 0.000) 4.288 8.733 ( 0.000 -6.166 0.000) 6.166 9.125 ( 0.000 9.864 0.000) 9.864 9.192 ( 0.000 0.889 0.000) 0.889 9.200 ( 0.000 1.408 0.000) 1.408 9.239 ( 0.000 3.338 0.000) 3.338 9.274 ( 0.000 -0.594 0.000) 0.594 9.314 ( 0.000 -5.572 0.000) 5.572 9.415 ( 0.000 1.691 0.000) 1.691 9.431 ( 0.000 4.948 0.000) 4.948 9.453 ( 0.000 -1.626 0.000) 1.626 9.558 ( 0.000 -5.020 0.000) 5.020 9.645 ( 0.000 -1.205 0.000) 1.205 9.647 ( 0.000 -0.544 0.000) 0.544 9.885 ( 0.000 3.355 0.000) 3.355 9.889 ( 0.000 0.556 0.000) 0.556 9.942 ( 0.000 -2.004 0.000) 2.004 9.953 ( 0.000 5.276 0.000) 5.276 9.966 ( 0.000 -2.138 0.000) 2.138 10.069 ( 0.000 -3.915 0.000) 3.915 10.265 ( 0.000 3.730 0.000) 3.730 10.281 ( 0.000 2.206 0.000) 2.206 10.349 ( 0.000 -1.625 0.000) 1.625 10.421 ( 0.000 -9.410 0.000) 9.410 10.497 ( 0.000 5.138 0.000) 5.138 10.574 ( 0.000 24.110 0.000) 24.110 10.602 ( 0.000 -4.243 0.000) 4.243 11.101 ( 0.000 -21.557 0.000) 21.557 11.449 ( 0.000 5.699 0.000) 5.699 11.529 ( 0.000 -1.375 0.000) 1.375 11.898 ( 0.000 2.989 0.000) 2.989 11.945 ( 0.000 0.749 0.000) 0.749 11.996 ( 0.000 -0.578 0.000) 0.578 12.002 ( 0.000 0.923 0.000) 0.923 12.132 ( 0.000 1.278 0.000) 1.278 12.194 ( 0.000 -4.618 0.000) 4.618 12.584 ( 0.000 3.973 0.000) 3.973 12.679 ( 0.000 -4.194 0.000) 4.194 12.755 ( 0.000 2.726 0.000) 2.726 12.785 ( 0.000 -0.050 0.000) 0.050 13.759 ( 0.000 1.483 0.000) 1.483 13.786 ( 0.000 -0.543 0.000) 0.543 13.859 ( 0.000 0.982 0.000) 0.982 13.869 ( 0.000 -0.157 0.000) 0.157 14.210 ( 0.000 4.317 0.000) 4.317 14.225 ( 0.000 0.052 0.000) 0.052 14.292 ( 0.000 5.423 0.000) 5.423 14.308 ( 0.000 2.604 0.000) 2.604 14.420 ( 0.000 -6.096 0.000) 6.096 14.423 ( 0.000 -4.309 0.000) 4.309 14.549 ( 0.000 1.582 0.000) 1.582 14.595 ( 0.000 6.562 0.000) 6.562 14.598 ( 0.000 -2.096 0.000) 2.096 14.676 ( 0.000 9.180 0.000) 9.180 14.763 ( 0.000 -8.180 0.000) 8.180 14.765 ( 0.000 6.841 0.000) 6.841 14.882 ( 0.000 -3.976 0.000) 3.976 14.886 ( 0.000 -8.849 0.000) 8.849 14.992 ( 0.000 4.642 0.000) 4.642 15.157 ( 0.000 -9.221 0.000) 9.221 15.327 ( 0.000 1.686 0.000) 1.686 15.367 ( 0.000 -1.910 0.000) 1.910 15.394 ( 0.000 3.948 0.000) 3.948 15.473 ( 0.000 -3.182 0.000) 3.182 15.609 ( 0.000 0.617 0.000) 0.617 15.628 ( 0.000 -1.261 0.000) 1.261 15.641 ( 0.000 0.348 0.000) 0.348 15.656 ( 0.000 -0.957 0.000) 0.957 16.054 ( 0.000 3.330 0.000) 3.330 16.140 ( 0.000 -4.345 0.000) 4.345 16.318 ( 0.000 6.441 0.000) 6.441 16.433 ( 0.000 -4.052 0.000) 4.052 ======================= Grid point 19 (12/45) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 11.963 37.740 0.000) 39.591 2.092 ( 9.740 39.513 0.000) 40.696 2.735 ( 14.300 -19.286 0.000) 24.010 2.906 ( 5.340 -33.423 0.000) 33.847 3.122 ( 20.307 29.864 0.000) 36.114 3.256 ( 11.038 6.324 0.000) 12.721 3.440 ( 10.291 -6.700 0.000) 12.280 3.522 ( 7.733 -5.073 0.000) 9.249 3.564 ( 7.938 -6.611 0.000) 10.330 3.605 ( 16.481 2.210 0.000) 16.628 3.697 ( 14.322 -1.277 0.000) 14.379 3.974 ( 11.419 -27.961 0.000) 30.203 4.102 ( -0.030 4.382 0.000) 4.382 4.189 ( -0.457 -3.388 0.000) 3.418 4.216 ( 1.851 -3.814 0.000) 4.239 4.224 ( 2.666 -3.613 0.000) 4.490 4.484 ( -3.097 -1.695 0.000) 3.530 4.524 ( -1.289 -5.626 0.000) 5.771 4.994 ( 17.828 6.769 0.000) 19.069 5.108 ( 10.024 -0.674 0.000) 10.046 5.126 ( -3.508 7.911 0.000) 8.654 5.229 ( -2.159 0.120 0.000) 2.163 5.292 ( 17.705 3.150 0.000) 17.983 5.398 ( 0.019 10.766 0.000) 10.766 5.448 ( 11.222 -8.290 0.000) 13.952 5.584 ( -1.932 -4.611 0.000) 4.999 5.657 ( 7.100 5.708 0.000) 9.110 5.728 ( 7.183 -1.237 0.000) 7.289 6.033 ( 0.775 1.742 0.000) 1.906 6.044 ( 0.992 9.926 0.000) 9.975 6.096 ( 1.436 -4.129 0.000) 4.372 6.240 ( 3.065 -6.978 0.000) 7.622 6.461 ( -0.139 11.648 0.000) 11.649 6.728 ( -0.205 -11.621 0.000) 11.623 6.772 ( -1.876 10.547 0.000) 10.713 6.882 ( -1.696 2.123 0.000) 2.717 6.951 ( -3.864 -3.859 0.000) 5.461 6.991 ( -4.981 -8.700 0.000) 10.025 7.116 ( 1.654 0.755 0.000) 1.818 7.149 ( 2.833 -2.165 0.000) 3.565 7.339 ( -0.526 4.827 0.000) 4.856 7.477 ( -1.413 -7.492 0.000) 7.624 7.597 ( -0.096 3.528 0.000) 3.530 7.671 ( -0.538 -3.406 0.000) 3.448 8.255 ( -0.577 0.939 0.000) 1.102 8.292 ( -1.093 -2.246 0.000) 2.498 8.483 ( -0.686 2.083 0.000) 2.193 8.510 ( 1.095 0.075 0.000) 1.097 8.702 ( 0.761 -2.132 0.000) 2.264 8.772 ( 3.645 -7.689 0.000) 8.509 9.056 ( -3.313 6.890 0.000) 7.645 9.156 ( -3.237 -0.404 0.000) 3.263 9.229 ( -1.319 4.738 0.000) 4.918 9.259 ( 2.302 -0.284 0.000) 2.320 9.273 ( -0.333 0.091 0.000) 0.345 9.299 ( -1.520 -2.503 0.000) 2.928 9.438 ( 1.569 3.111 0.000) 3.484 9.442 ( 1.219 4.377 0.000) 4.544 9.481 ( 2.175 -0.076 0.000) 2.177 9.564 ( 0.768 -5.154 0.000) 5.211 9.636 ( -1.186 -0.771 0.000) 1.415 9.651 ( 1.151 -2.716 0.000) 2.950 9.854 ( -2.579 1.615 0.000) 3.043 9.885 ( -1.056 -0.197 0.000) 1.075 9.932 ( -0.502 -0.048 0.000) 0.505 9.933 ( -1.529 3.843 0.000) 4.136 9.970 ( 0.194 -1.428 0.000) 1.441 10.032 ( -3.338 -4.453 0.000) 5.565 10.234 ( -2.294 5.186 0.000) 5.671 10.254 ( -1.840 6.589 0.000) 6.841 10.352 ( -0.695 -5.383 0.000) 5.428 10.449 ( 1.771 -10.102 0.000) 10.256 10.493 ( -0.124 4.145 0.000) 4.147 10.591 ( -0.762 -3.862 0.000) 3.936 10.594 ( 2.085 22.890 0.000) 22.985 11.077 ( -2.219 -19.986 0.000) 20.109 11.432 ( -1.940 5.019 0.000) 5.381 11.500 ( -2.890 -1.116 0.000) 3.098 11.873 ( -3.059 2.691 0.000) 4.074 11.893 ( -5.300 1.915 0.000) 5.635 11.972 ( -2.230 1.316 0.000) 2.590 12.002 ( 0.449 -2.112 0.000) 2.159 12.118 ( -1.317 1.427 0.000) 1.942 12.179 ( -1.317 -4.252 0.000) 4.451 12.567 ( -1.511 3.779 0.000) 4.070 12.659 ( -1.833 -4.150 0.000) 4.536 12.744 ( -1.093 2.776 0.000) 2.983 12.776 ( -0.916 -0.201 0.000) 0.938 13.763 ( 1.019 1.336 0.000) 1.681 13.795 ( 0.813 -1.438 0.000) 1.652 13.888 ( 2.126 1.375 0.000) 2.532 13.901 ( 3.335 0.334 0.000) 3.352 14.175 ( -2.807 5.390 0.000) 6.077 14.223 ( -0.621 -1.096 0.000) 1.260 14.290 ( -1.710 2.577 0.000) 3.093 14.302 ( 1.142 5.512 0.000) 5.629 14.400 ( -2.416 -4.765 0.000) 5.342 14.427 ( 0.806 -5.807 0.000) 5.863 14.521 ( -2.412 2.677 0.000) 3.603 14.574 ( -2.026 -1.781 0.000) 2.697 14.606 ( 1.000 6.202 0.000) 6.282 14.631 ( -3.690 9.093 0.000) 9.813 14.754 ( -1.499 5.855 0.000) 6.044 14.770 ( 0.539 -8.047 0.000) 8.065 14.844 ( -2.893 -8.048 0.000) 8.552 14.868 ( -2.216 -5.283 0.000) 5.729 14.988 ( -0.478 4.505 0.000) 4.530 15.134 ( -2.221 -7.970 0.000) 8.274 15.309 ( -1.862 1.666 0.000) 2.498 15.348 ( -1.826 -1.807 0.000) 2.569 15.384 ( -0.970 3.751 0.000) 3.874 15.458 ( -1.380 -2.920 0.000) 3.229 15.574 ( -3.400 0.908 0.000) 3.519 15.600 ( -2.696 -1.502 0.000) 3.086 15.636 ( -0.435 0.293 0.000) 0.524 15.653 ( -0.173 -1.113 0.000) 1.126 15.931 ( -11.800 3.461 0.000) 12.297 16.022 ( -11.385 -4.555 0.000) 12.263 16.218 ( -9.386 6.742 0.000) 11.557 16.340 ( -8.790 -4.352 0.000) 9.808 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 18.213 28.717 0.000) 34.006 2.363 ( 16.565 31.684 0.000) 35.753 2.970 ( 9.584 -31.295 0.000) 32.729 3.053 ( 8.948 -30.169 0.000) 31.468 3.493 ( 8.211 5.234 0.000) 9.737 3.567 ( 0.851 -2.277 0.000) 2.431 3.683 ( 30.570 31.237 0.000) 43.707 3.697 ( 11.767 -0.050 0.000) 11.767 3.784 ( -3.873 7.761 0.000) 8.674 3.864 ( 18.016 -13.002 0.000) 22.218 3.975 ( 6.667 -6.906 0.000) 9.599 4.150 ( 7.019 -4.225 0.000) 8.192 4.163 ( 6.907 2.644 0.000) 7.396 4.198 ( 3.079 -0.394 0.000) 3.104 4.272 ( 4.385 -2.317 0.000) 4.960 4.356 ( 9.642 -10.095 0.000) 13.960 4.513 ( 9.002 -4.486 0.000) 10.058 4.583 ( 6.695 -7.519 0.000) 10.068 5.044 ( -4.434 7.629 0.000) 8.824 5.157 ( -4.985 0.360 0.000) 4.998 5.237 ( 2.007 2.012 0.000) 2.842 5.265 ( 5.221 -0.774 0.000) 5.278 5.395 ( -0.432 5.828 0.000) 5.844 5.540 ( -2.461 -4.445 0.000) 5.080 5.663 ( 16.226 4.280 0.000) 16.781 5.776 ( 16.390 -6.142 0.000) 17.503 5.973 ( 25.825 9.041 0.000) 27.362 6.031 ( -1.387 3.401 0.000) 3.672 6.086 ( 19.679 5.254 0.000) 20.368 6.120 ( 0.293 -4.977 0.000) 4.986 6.163 ( 20.935 0.533 0.000) 20.942 6.354 ( 9.006 -8.610 0.000) 12.460 6.442 ( -1.294 11.570 0.000) 11.642 6.686 ( -3.359 -9.311 0.000) 9.898 6.740 ( -0.128 6.828 0.000) 6.829 6.881 ( 0.701 0.488 0.000) 0.854 6.882 ( -4.695 -4.987 0.000) 6.849 6.911 ( 0.163 -2.195 0.000) 2.201 7.150 ( 1.692 0.928 0.000) 1.930 7.187 ( 0.957 -2.162 0.000) 2.364 7.377 ( 5.169 2.925 0.000) 5.939 7.475 ( 2.482 -5.410 0.000) 5.952 7.604 ( 1.233 2.659 0.000) 2.931 7.663 ( 0.420 -2.786 0.000) 2.817 8.234 ( -1.612 1.084 0.000) 1.943 8.265 ( -1.980 -1.362 0.000) 2.403 8.446 ( -3.587 2.710 0.000) 4.496 8.516 ( -1.588 -3.229 0.000) 3.599 8.741 ( 3.512 2.418 0.000) 4.264 8.869 ( 5.666 -8.847 0.000) 10.505 8.998 ( -3.134 5.891 0.000) 6.673 9.090 ( -3.444 -1.624 0.000) 3.807 9.167 ( -5.042 6.927 0.000) 8.568 9.242 ( -3.277 0.501 0.000) 3.315 9.263 ( -0.503 -0.591 0.000) 0.776 9.291 ( 1.172 -2.977 0.000) 3.199 9.407 ( -4.736 5.165 0.000) 7.007 9.480 ( 2.399 4.343 0.000) 4.961 9.514 ( -0.758 -2.868 0.000) 2.967 9.594 ( 2.097 -5.002 0.000) 5.423 9.608 ( -0.289 2.643 0.000) 2.659 9.707 ( 3.468 -4.183 0.000) 5.434 9.778 ( -4.767 0.680 0.000) 4.815 9.844 ( -3.420 -4.489 0.000) 5.643 9.911 ( -0.666 1.765 0.000) 1.887 9.924 ( -0.123 3.572 0.000) 3.574 9.972 ( -1.133 -3.540 0.000) 3.716 9.977 ( 0.649 0.442 0.000) 0.785 10.188 ( -2.343 3.412 0.000) 4.139 10.218 ( -2.173 10.286 0.000) 10.513 10.299 ( -4.500 -5.048 0.000) 6.763 10.434 ( -4.110 -7.594 0.000) 8.635 10.514 ( 3.197 3.647 0.000) 4.850 10.625 ( 5.199 -6.889 0.000) 8.631 10.657 ( 4.016 16.272 0.000) 16.761 11.024 ( -2.555 -15.991 0.000) 16.193 11.360 ( -5.420 4.261 0.000) 6.894 11.419 ( -4.895 -1.286 0.000) 5.061 11.718 ( -11.693 3.367 0.000) 12.168 11.758 ( -8.910 -0.344 0.000) 8.916 11.938 ( -0.876 3.477 0.000) 3.586 12.016 ( 0.889 -3.691 0.000) 3.797 12.081 ( -2.258 2.005 0.000) 3.020 12.148 ( -1.649 -4.043 0.000) 4.366 12.536 ( -1.086 3.235 0.000) 3.412 12.618 ( -1.846 -3.871 0.000) 4.288 12.710 ( -2.196 2.694 0.000) 3.476 12.747 ( -2.030 -0.678 0.000) 2.140 13.812 ( 3.626 0.315 0.000) 3.640 13.824 ( 2.442 -0.787 0.000) 2.566 13.945 ( 3.361 2.508 0.000) 4.194 13.978 ( 4.053 -0.150 0.000) 4.056 14.109 ( -3.656 6.795 0.000) 7.716 14.203 ( -1.302 -1.786 0.000) 2.210 14.248 ( -2.320 1.133 0.000) 2.582 14.323 ( -4.877 -4.402 0.000) 6.570 14.344 ( 2.952 5.231 0.000) 6.007 14.455 ( 1.976 -5.106 0.000) 5.475 14.471 ( -2.229 5.061 0.000) 5.530 14.533 ( -1.706 -1.102 0.000) 2.030 14.561 ( -2.470 7.424 0.000) 7.824 14.626 ( 0.778 5.078 0.000) 5.137 14.708 ( -2.269 2.588 0.000) 3.442 14.774 ( -0.420 -7.303 0.000) 7.315 14.782 ( -3.209 -8.101 0.000) 8.714 14.806 ( -3.519 -3.591 0.000) 5.028 14.973 ( -0.902 3.500 0.000) 3.614 15.076 ( -3.208 -5.339 0.000) 6.229 15.244 ( -4.914 2.386 0.000) 5.462 15.294 ( -3.730 -1.954 0.000) 4.211 15.360 ( -1.279 3.374 0.000) 3.608 15.426 ( -1.576 -2.625 0.000) 3.062 15.472 ( -6.968 1.760 0.000) 7.186 15.515 ( -6.755 -2.215 0.000) 7.109 15.615 ( -17.376 3.747 0.000) 17.775 15.627 ( -0.278 0.685 0.000) 0.739 15.656 ( 0.547 -1.826 0.000) 1.906 15.714 ( -17.784 -4.945 0.000) 18.459 15.982 ( -12.588 6.976 0.000) 14.392 16.114 ( -12.473 -4.980 0.000) 13.430 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 20.169 16.648 0.000) 26.153 2.733 ( 19.573 22.939 0.000) 30.155 3.147 ( 8.000 -23.744 0.000) 25.056 3.237 ( 6.705 -20.270 0.000) 21.350 3.478 ( -7.462 -3.694 0.000) 8.326 3.512 ( -3.349 -6.142 0.000) 6.996 3.548 ( -15.865 12.199 0.000) 20.013 3.857 ( -11.892 -15.365 0.000) 19.430 3.997 ( 15.778 6.019 0.000) 16.887 4.189 ( 14.031 -10.266 0.000) 17.386 4.220 ( 20.045 17.317 0.000) 26.489 4.336 ( 7.684 3.195 0.000) 8.322 4.338 ( 8.165 4.155 0.000) 9.161 4.352 ( 10.200 2.587 0.000) 10.523 4.366 ( 1.866 3.840 0.000) 4.269 4.499 ( 3.734 -3.648 0.000) 5.221 4.714 ( 6.901 -4.049 0.000) 8.002 4.741 ( 8.299 -5.211 0.000) 9.799 4.948 ( -5.163 5.650 0.000) 7.653 5.032 ( -7.183 0.517 0.000) 7.201 5.253 ( 1.968 0.316 0.000) 1.994 5.302 ( 1.044 -3.084 0.000) 3.256 5.376 ( -1.460 1.686 0.000) 2.230 5.473 ( -4.604 -5.255 0.000) 6.987 5.881 ( 5.546 4.430 0.000) 7.098 5.946 ( 3.686 -1.518 0.000) 3.986 5.983 ( -2.769 5.674 0.000) 6.313 6.089 ( -3.171 -4.241 0.000) 5.296 6.406 ( 13.531 5.157 0.000) 14.481 6.440 ( 1.428 7.378 0.000) 7.515 6.506 ( 10.619 -1.647 0.000) 10.746 6.590 ( 12.683 -0.068 0.000) 12.683 6.626 ( -2.456 -8.002 0.000) 8.370 6.648 ( 18.298 -2.352 0.000) 18.449 6.863 ( -2.224 2.750 0.000) 3.537 6.876 ( 12.577 0.985 0.000) 12.616 6.916 ( 14.966 -1.875 0.000) 15.083 6.935 ( 0.316 -3.133 0.000) 3.148 7.177 ( 0.513 0.828 0.000) 0.974 7.193 ( -0.313 -0.716 0.000) 0.782 7.569 ( 13.428 2.243 0.000) 13.614 7.614 ( 10.538 -1.364 0.000) 10.626 7.700 ( 11.158 0.539 0.000) 11.171 7.749 ( 11.310 -3.370 0.000) 11.801 8.165 ( -6.702 0.706 0.000) 6.739 8.170 ( -9.175 0.221 0.000) 9.177 8.315 ( -9.715 2.987 0.000) 10.164 8.408 ( -9.710 -5.483 0.000) 11.151 8.852 ( 7.015 4.162 0.000) 8.157 8.927 ( -3.177 5.063 0.000) 5.977 8.961 ( 1.199 -4.613 0.000) 4.766 9.008 ( -4.504 -2.262 0.000) 5.040 9.042 ( -6.034 7.228 0.000) 9.416 9.163 ( -1.720 -3.207 0.000) 3.639 9.235 ( -7.157 4.312 0.000) 8.356 9.308 ( 1.833 -0.288 0.000) 1.856 9.349 ( 1.008 -0.318 0.000) 1.057 9.466 ( -0.369 -7.330 0.000) 7.339 9.526 ( 1.250 5.589 0.000) 5.727 9.619 ( -1.735 -2.694 0.000) 3.204 9.621 ( 0.563 5.458 0.000) 5.487 9.684 ( -3.041 -0.779 0.000) 3.139 9.746 ( 0.168 -4.666 0.000) 4.669 9.749 ( -4.856 -7.100 0.000) 8.602 9.914 ( 1.575 3.258 0.000) 3.618 9.935 ( 1.308 5.255 0.000) 5.416 10.003 ( 2.903 -4.125 0.000) 5.044 10.004 ( 2.010 -0.076 0.000) 2.011 10.128 ( -3.516 1.741 0.000) 3.923 10.149 ( -4.311 8.797 0.000) 9.797 10.201 ( -4.251 -3.447 0.000) 5.473 10.306 ( -7.743 -4.978 0.000) 9.205 10.661 ( 11.024 3.985 0.000) 11.722 10.750 ( 4.974 10.194 0.000) 11.343 10.779 ( 9.075 -6.746 0.000) 11.308 10.997 ( 0.103 -11.429 0.000) 11.429 11.228 ( -6.539 4.327 0.000) 7.841 11.316 ( -4.647 -3.148 0.000) 5.613 11.430 ( -16.025 5.237 0.000) 16.859 11.533 ( -12.702 -3.954 0.000) 13.304 11.938 ( 0.950 4.471 0.000) 4.571 12.030 ( -2.799 3.048 0.000) 4.138 12.040 ( 1.516 -4.700 0.000) 4.939 12.114 ( -1.786 -4.480 0.000) 4.823 12.540 ( 1.567 2.452 0.000) 2.910 12.601 ( 0.465 -3.018 0.000) 3.054 12.657 ( -3.003 2.192 0.000) 3.718 12.695 ( -3.011 -1.218 0.000) 3.248 13.876 ( 3.348 1.989 0.000) 3.894 13.921 ( 6.194 -1.761 0.000) 6.439 14.020 ( 4.021 3.022 0.000) 5.030 14.030 ( -4.038 6.523 0.000) 7.671 14.063 ( 4.402 -0.362 0.000) 4.416 14.164 ( -3.238 -3.215 0.000) 4.564 14.183 ( -4.458 0.904 0.000) 4.549 14.234 ( -3.475 -1.972 0.000) 3.995 14.413 ( 3.601 4.415 0.000) 5.698 14.449 ( 0.933 5.588 0.000) 5.665 14.504 ( 2.703 -4.477 0.000) 5.230 14.514 ( -0.311 2.297 0.000) 2.318 14.553 ( 1.512 3.032 0.000) 3.389 14.627 ( -0.976 3.601 0.000) 3.731 14.710 ( 1.684 -4.876 0.000) 5.159 14.715 ( -1.179 -0.872 0.000) 1.466 14.744 ( -2.800 -5.213 0.000) 5.918 14.758 ( 0.020 -3.179 0.000) 3.179 14.960 ( -0.083 2.454 0.000) 2.456 15.031 ( -0.451 -3.378 0.000) 3.408 15.096 ( -9.940 3.830 0.000) 10.653 15.171 ( -12.367 -1.220 0.000) 12.427 15.214 ( -12.157 0.757 0.000) 12.181 15.241 ( -16.839 -1.088 0.000) 16.874 15.340 ( -0.491 2.858 0.000) 2.900 15.400 ( -0.867 -2.511 0.000) 2.657 15.420 ( -6.268 0.018 0.000) 6.268 15.452 ( -5.094 -2.288 0.000) 5.584 15.631 ( 0.846 1.554 0.000) 1.769 15.680 ( 2.069 -2.822 0.000) 3.499 15.771 ( -7.636 5.289 0.000) 9.289 15.886 ( -9.314 -4.946 0.000) 10.546 ======================= Grid point 22 (15/45) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -7.460 8.014 0.000) 10.949 3.057 ( 7.460 8.014 0.000) 10.949 3.152 ( -7.008 7.557 0.000) 10.307 3.152 ( 7.008 7.557 0.000) 10.307 3.362 ( -4.706 -7.453 0.000) 8.814 3.362 ( 4.706 -7.453 0.000) 8.814 3.603 ( -11.955 -19.037 0.000) 22.479 3.603 ( 11.955 -19.037 0.000) 22.479 4.269 ( -9.947 6.255 0.000) 11.751 4.269 ( 9.947 6.255 0.000) 11.751 4.400 ( -3.496 -0.972 0.000) 3.628 4.400 ( 3.496 -0.972 0.000) 3.628 4.442 ( -0.853 3.218 0.000) 3.330 4.442 ( 0.853 3.218 0.000) 3.330 4.480 ( -2.814 3.136 0.000) 4.213 4.480 ( 2.814 3.136 0.000) 4.213 4.834 ( -5.997 1.785 0.000) 6.257 4.834 ( 5.997 1.785 0.000) 6.257 4.884 ( -6.989 0.210 0.000) 6.992 4.884 ( 6.989 0.210 0.000) 6.992 5.337 ( -2.521 -1.887 0.000) 3.149 5.337 ( 2.521 -1.887 0.000) 3.149 5.354 ( -6.452 -3.920 0.000) 7.549 5.354 ( 6.452 -3.920 0.000) 7.549 5.939 ( -1.673 5.416 0.000) 5.669 5.939 ( 1.673 5.416 0.000) 5.669 6.016 ( -3.649 -1.899 0.000) 4.114 6.016 ( 3.649 -1.899 0.000) 4.114 6.482 ( -1.762 2.247 0.000) 2.855 6.482 ( 1.762 2.247 0.000) 2.855 6.582 ( -2.077 -5.773 0.000) 6.135 6.582 ( 2.077 -5.773 0.000) 6.135 6.784 ( -6.267 3.868 0.000) 7.365 6.784 ( 6.267 3.868 0.000) 7.365 6.882 ( -6.164 -4.495 0.000) 7.628 6.882 ( 6.164 -4.495 0.000) 7.628 7.128 ( -7.233 2.355 0.000) 7.606 7.128 ( 7.233 2.355 0.000) 7.606 7.154 ( -5.044 0.070 0.000) 5.044 7.154 ( 5.044 0.070 0.000) 5.044 7.879 ( -17.352 1.503 0.000) 17.417 7.879 ( 17.352 1.503 0.000) 17.417 7.912 ( -17.419 -0.818 0.000) 17.439 7.912 ( 17.419 -0.818 0.000) 17.439 8.040 ( -17.913 1.996 0.000) 18.024 8.040 ( 17.913 1.996 0.000) 18.024 8.110 ( -19.407 -4.012 0.000) 19.817 8.110 ( 19.407 -4.012 0.000) 19.817 8.909 ( -2.146 2.548 0.000) 3.331 8.909 ( 2.146 2.548 0.000) 3.331 8.939 ( -1.589 -0.834 0.000) 1.794 8.939 ( 1.589 -0.834 0.000) 1.794 9.062 ( -8.291 8.082 0.000) 11.579 9.062 ( 8.291 8.082 0.000) 11.579 9.234 ( -6.169 -7.126 0.000) 9.425 9.234 ( 6.169 -7.126 0.000) 9.425 9.454 ( -7.032 3.170 0.000) 7.713 9.454 ( 7.032 3.170 0.000) 7.713 9.550 ( -5.859 -4.706 0.000) 7.515 9.550 ( 5.859 -4.706 0.000) 7.515 9.625 ( -0.525 3.068 0.000) 3.112 9.625 ( 0.525 3.068 0.000) 3.112 9.732 ( -1.150 -4.931 0.000) 5.063 9.732 ( 1.150 -4.931 0.000) 5.063 9.957 ( -1.126 4.215 0.000) 4.363 9.957 ( 1.126 4.215 0.000) 4.363 10.020 ( -0.864 0.989 0.000) 1.313 10.020 ( 0.864 0.989 0.000) 1.313 10.111 ( -0.476 0.110 0.000) 0.489 10.111 ( 0.476 0.110 0.000) 0.489 10.164 ( -4.000 -2.768 0.000) 4.864 10.164 ( 4.000 -2.768 0.000) 4.864 10.825 ( -0.073 5.599 0.000) 5.599 10.825 ( 0.073 5.599 0.000) 5.599 10.959 ( -7.906 -5.338 0.000) 9.540 10.959 ( 7.906 -5.338 0.000) 9.540 11.176 ( -4.256 4.791 0.000) 6.408 11.176 ( 4.256 4.791 0.000) 6.408 11.309 ( -6.674 -5.974 0.000) 8.958 11.309 ( 6.674 -5.974 0.000) 8.958 11.974 ( -2.492 4.129 0.000) 4.823 11.974 ( 2.492 4.129 0.000) 4.823 12.076 ( -1.938 -4.946 0.000) 5.312 12.076 ( 1.938 -4.946 0.000) 5.312 12.593 ( -3.274 1.892 0.000) 3.782 12.593 ( 3.274 1.892 0.000) 3.782 12.635 ( -2.641 -1.898 0.000) 3.252 12.635 ( 2.641 -1.898 0.000) 3.252 13.950 ( -3.904 4.672 0.000) 6.088 13.950 ( 3.904 4.672 0.000) 6.088 14.054 ( -6.616 -4.132 0.000) 7.800 14.054 ( 6.616 -4.132 0.000) 7.800 14.102 ( -3.990 3.692 0.000) 5.436 14.102 ( 3.990 3.692 0.000) 5.436 14.155 ( -4.575 -0.970 0.000) 4.677 14.155 ( 4.575 -0.970 0.000) 4.677 14.469 ( -1.311 3.299 0.000) 3.550 14.469 ( 1.311 3.299 0.000) 3.550 14.547 ( -0.776 -2.085 0.000) 2.225 14.547 ( 0.776 -2.085 0.000) 2.225 14.571 ( -2.593 4.191 0.000) 4.928 14.571 ( 2.593 4.191 0.000) 4.928 14.688 ( -1.120 -3.140 0.000) 3.334 14.688 ( 1.120 -3.140 0.000) 3.334 14.847 ( -11.012 0.533 0.000) 11.024 14.847 ( 11.012 0.533 0.000) 11.024 14.898 ( -13.004 -3.919 0.000) 13.582 14.898 ( 13.004 -3.919 0.000) 13.582 14.993 ( -4.627 4.380 0.000) 6.371 14.993 ( 4.627 4.380 0.000) 6.371 15.075 ( -4.727 -2.732 0.000) 5.460 15.075 ( 4.727 -2.732 0.000) 5.460 15.349 ( -1.617 1.875 0.000) 2.476 15.349 ( 1.617 1.875 0.000) 2.476 15.398 ( -0.922 -2.339 0.000) 2.515 15.398 ( 0.922 -2.339 0.000) 2.515 15.668 ( -3.066 2.979 0.000) 4.275 15.668 ( 3.066 2.979 0.000) 4.275 15.747 ( -4.798 -3.944 0.000) 6.211 15.747 ( 4.798 -3.944 0.000) 6.211 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 0.000 36.366) 36.366 0.913 ( 0.000 0.000 48.821) 48.821 1.345 ( 0.000 0.000 71.382) 71.382 2.570 ( 0.000 0.000 -29.101) 29.101 3.301 ( 0.000 0.000 -33.093) 33.093 3.546 ( 0.000 0.000 15.532) 15.532 3.680 ( 0.000 0.000 6.300) 6.300 3.706 ( 0.000 0.000 -2.113) 2.113 3.827 ( 0.000 0.000 4.680) 4.680 3.829 ( 0.000 0.000 -1.379) 1.379 3.901 ( 0.000 0.000 2.010) 2.010 3.984 ( 0.000 0.000 0.188) 0.188 4.170 ( 0.000 0.000 3.541) 3.541 4.202 ( 0.000 0.000 -5.241) 5.241 4.273 ( 0.000 0.000 -1.139) 1.139 4.490 ( 0.000 0.000 -7.012) 7.012 4.536 ( 0.000 0.000 3.497) 3.497 4.625 ( 0.000 0.000 -7.675) 7.675 4.737 ( 0.000 0.000 15.821) 15.821 4.749 ( 0.000 0.000 -31.829) 31.829 4.779 ( 0.000 0.000 -3.618) 3.618 5.050 ( 0.000 0.000 12.147) 12.147 5.143 ( 0.000 0.000 11.416) 11.416 5.153 ( 0.000 0.000 -1.492) 1.492 5.356 ( 0.000 0.000 -1.362) 1.362 5.365 ( 0.000 0.000 -1.427) 1.427 5.660 ( 0.000 0.000 -0.961) 0.961 5.789 ( 0.000 0.000 -10.283) 10.283 5.818 ( 0.000 0.000 2.991) 2.991 6.115 ( 0.000 0.000 1.829) 1.829 6.187 ( 0.000 0.000 3.540) 3.540 6.298 ( 0.000 0.000 2.318) 2.318 6.347 ( 0.000 0.000 8.217) 8.217 6.396 ( 0.000 0.000 2.437) 2.437 6.694 ( 0.000 0.000 -15.485) 15.485 6.900 ( 0.000 0.000 2.296) 2.296 7.002 ( 0.000 0.000 -8.071) 8.071 7.040 ( 0.000 0.000 -3.476) 3.476 7.291 ( 0.000 0.000 3.087) 3.087 7.345 ( 0.000 0.000 -0.200) 0.200 7.366 ( 0.000 0.000 0.868) 0.868 7.380 ( 0.000 0.000 1.021) 1.021 7.738 ( 0.000 0.000 -2.524) 2.524 7.778 ( 0.000 0.000 -1.619) 1.619 8.288 ( 0.000 0.000 2.223) 2.223 8.436 ( 0.000 0.000 0.431) 0.431 8.449 ( 0.000 0.000 -1.496) 1.496 8.533 ( 0.000 0.000 -1.984) 1.984 8.876 ( 0.000 0.000 2.815) 2.815 9.025 ( 0.000 0.000 -0.858) 0.858 9.046 ( 0.000 0.000 -0.033) 0.033 9.046 ( 0.000 0.000 1.206) 1.206 9.133 ( 0.000 0.000 -1.825) 1.825 9.140 ( 0.000 0.000 -3.377) 3.377 9.188 ( 0.000 0.000 -1.093) 1.093 9.206 ( 0.000 0.000 -1.941) 1.941 9.464 ( 0.000 0.000 5.484) 5.484 9.471 ( 0.000 0.000 1.665) 1.665 9.489 ( 0.000 0.000 -0.354) 0.354 9.566 ( 0.000 0.000 3.096) 3.096 9.602 ( 0.000 0.000 -4.455) 4.455 9.652 ( 0.000 0.000 -2.822) 2.822 9.676 ( 0.000 0.000 4.699) 4.699 9.738 ( 0.000 0.000 -3.541) 3.541 9.768 ( 0.000 0.000 -0.549) 0.549 9.928 ( 0.000 0.000 3.855) 3.855 10.083 ( 0.000 0.000 -2.263) 2.263 10.122 ( 0.000 0.000 -2.582) 2.582 10.129 ( 0.000 0.000 1.007) 1.007 10.143 ( 0.000 0.000 -6.569) 6.569 10.246 ( 0.000 0.000 7.108) 7.108 10.463 ( 0.000 0.000 6.118) 6.118 10.541 ( 0.000 0.000 0.498) 0.498 10.653 ( 0.000 0.000 -3.540) 3.540 10.826 ( 0.000 0.000 6.260) 6.260 11.246 ( 0.000 0.000 0.884) 0.884 11.531 ( 0.000 0.000 5.032) 5.032 11.597 ( 0.000 0.000 -7.356) 7.356 11.708 ( 0.000 0.000 -2.952) 2.952 11.877 ( 0.000 0.000 -3.721) 3.721 11.919 ( 0.000 0.000 9.625) 9.625 12.112 ( 0.000 0.000 6.508) 6.508 12.244 ( 0.000 0.000 9.676) 9.676 12.414 ( 0.000 0.000 4.317) 4.317 12.485 ( 0.000 0.000 -2.513) 2.513 12.552 ( 0.000 0.000 -6.666) 6.666 12.708 ( 0.000 0.000 -4.322) 4.322 12.786 ( 0.000 0.000 -4.743) 4.743 13.732 ( 0.000 0.000 0.838) 0.838 13.746 ( 0.000 0.000 1.367) 1.367 13.804 ( 0.000 0.000 -0.615) 0.615 13.860 ( 0.000 0.000 -1.345) 1.345 14.026 ( 0.000 0.000 3.550) 3.550 14.169 ( 0.000 0.000 0.559) 0.559 14.260 ( 0.000 0.000 -1.569) 1.569 14.323 ( 0.000 0.000 -5.789) 5.789 14.394 ( 0.000 0.000 0.859) 0.859 14.445 ( 0.000 0.000 -0.426) 0.426 14.499 ( 0.000 0.000 0.037) 0.037 14.593 ( 0.000 0.000 7.866) 7.866 14.603 ( 0.000 0.000 3.820) 3.820 14.616 ( 0.000 0.000 -1.961) 1.961 14.619 ( 0.000 0.000 3.094) 3.094 14.931 ( 0.000 0.000 -4.429) 4.429 14.970 ( 0.000 0.000 0.167) 0.167 14.983 ( 0.000 0.000 -3.346) 3.346 15.031 ( 0.000 0.000 -6.143) 6.143 15.204 ( 0.000 0.000 -7.163) 7.163 15.234 ( 0.000 0.000 0.027) 0.027 15.462 ( 0.000 0.000 2.661) 2.661 15.521 ( 0.000 0.000 -5.723) 5.723 15.526 ( 0.000 0.000 7.397) 7.397 15.583 ( 0.000 0.000 2.541) 2.541 15.639 ( 0.000 0.000 -2.709) 2.709 15.689 ( 0.000 0.000 1.581) 1.581 15.708 ( 0.000 0.000 -0.779) 0.779 16.020 ( 0.000 0.000 3.068) 3.068 16.087 ( 0.000 0.000 1.060) 1.060 16.281 ( 0.000 0.000 2.107) 2.107 16.486 ( 0.000 0.000 -2.771) 2.771 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 27.425 0.000 34.929) 44.409 1.235 ( 30.964 0.000 31.009) 43.822 1.791 ( 44.559 0.000 43.801) 62.483 2.754 ( 16.122 0.000 -24.186) 29.067 3.354 ( 5.191 0.000 -31.514) 31.939 3.662 ( 9.093 0.000 7.426) 11.740 3.745 ( 0.403 0.000 1.343) 1.402 3.776 ( 3.805 0.000 6.486) 7.520 3.776 ( 7.322 0.000 4.364) 8.524 3.921 ( 8.018 0.000 1.013) 8.081 4.024 ( 3.181 0.000 -0.696) 3.256 4.081 ( 4.748 0.000 -2.181) 5.225 4.127 ( 6.344 0.000 -0.025) 6.344 4.321 ( 4.585 0.000 2.851) 5.400 4.324 ( 5.976 0.000 2.648) 6.537 4.507 ( 0.018 0.000 -3.500) 3.500 4.618 ( -0.671 0.000 -5.016) 5.060 4.719 ( 11.537 0.000 -15.160) 19.051 4.800 ( 4.306 0.000 4.798) 6.447 4.828 ( 6.549 0.000 3.836) 7.590 4.846 ( 15.398 0.000 -15.368) 21.755 5.034 ( -0.795 0.000 17.167) 17.185 5.128 ( -1.230 0.000 -2.533) 2.816 5.261 ( 11.299 0.000 4.904) 12.318 5.392 ( 2.899 0.000 -0.194) 2.906 5.606 ( -2.718 0.000 -0.838) 2.845 5.607 ( 17.681 0.000 -9.228) 19.944 5.742 ( -2.847 0.000 5.262) 5.983 5.834 ( 3.780 0.000 -9.659) 10.373 6.123 ( -0.335 0.000 5.099) 5.110 6.237 ( 3.109 0.000 4.225) 5.246 6.316 ( 3.125 0.000 -0.944) 3.264 6.323 ( -0.451 0.000 4.776) 4.797 6.468 ( 5.365 0.000 0.911) 5.441 6.700 ( 0.549 0.000 -14.750) 14.760 6.882 ( -1.109 0.000 1.460) 1.833 7.020 ( 1.351 0.000 -6.493) 6.632 7.038 ( -1.686 0.000 -0.734) 1.838 7.213 ( -5.628 0.000 6.842) 8.860 7.255 ( -3.519 0.000 2.603) 4.377 7.376 ( 2.016 0.000 0.791) 2.165 7.386 ( 2.159 0.000 0.704) 2.271 7.722 ( -1.306 0.000 -2.926) 3.204 7.737 ( -4.214 0.000 -1.264) 4.399 8.284 ( -0.426 0.000 1.985) 2.030 8.370 ( -4.586 0.000 0.370) 4.601 8.463 ( -0.317 0.000 -0.851) 0.908 8.484 ( -0.742 0.000 -0.151) 0.757 8.928 ( 0.083 0.000 -0.583) 0.589 8.961 ( -4.404 0.000 0.916) 4.498 8.979 ( -4.217 0.000 1.757) 4.569 9.078 ( 1.725 0.000 -1.009) 1.998 9.101 ( -3.361 0.000 -3.271) 4.690 9.166 ( 0.063 0.000 -4.615) 4.615 9.244 ( 3.229 0.000 -1.893) 3.743 9.314 ( 7.781 0.000 -5.337) 9.435 9.426 ( -0.856 0.000 4.813) 4.889 9.475 ( -0.675 0.000 -1.271) 1.439 9.476 ( -0.765 0.000 2.802) 2.904 9.610 ( -0.310 0.000 -1.504) 1.536 9.620 ( 2.945 0.000 -1.240) 3.196 9.662 ( -0.956 0.000 2.395) 2.578 9.689 ( 3.266 0.000 -0.485) 3.302 9.744 ( 0.001 0.000 2.652) 2.652 9.822 ( 4.618 0.000 -5.210) 6.962 9.933 ( 0.185 0.000 0.587) 0.616 10.006 ( -5.764 0.000 -1.996) 6.100 10.084 ( -3.641 0.000 -2.506) 4.420 10.121 ( -0.682 0.000 -0.734) 1.002 10.124 ( 0.213 0.000 2.918) 2.926 10.258 ( 0.981 0.000 6.775) 6.846 10.432 ( -1.322 0.000 7.787) 7.899 10.537 ( -0.217 0.000 1.269) 1.287 10.664 ( -0.433 0.000 -1.789) 1.840 10.860 ( 3.806 0.000 3.803) 5.380 11.218 ( -2.638 0.000 1.023) 2.829 11.500 ( -3.399 0.000 2.297) 4.102 11.558 ( -3.803 0.000 -4.695) 6.042 11.665 ( -4.295 0.000 -2.671) 5.058 11.834 ( -3.652 0.000 -3.538) 5.085 11.903 ( -1.334 0.000 9.654) 9.745 12.117 ( 0.223 0.000 5.671) 5.675 12.226 ( -1.525 0.000 9.554) 9.675 12.392 ( -1.961 0.000 4.704) 5.097 12.467 ( -1.638 0.000 -3.159) 3.559 12.545 ( -0.583 0.000 -6.418) 6.444 12.704 ( -0.371 0.000 -4.580) 4.595 12.741 ( -2.557 0.000 -3.021) 3.958 13.763 ( 1.561 0.000 0.855) 1.780 13.771 ( 3.773 0.000 0.693) 3.836 13.843 ( 2.940 0.000 -1.237) 3.190 13.856 ( -0.363 0.000 -1.312) 1.362 13.986 ( -3.381 0.000 3.431) 4.817 14.156 ( -1.411 0.000 -0.366) 1.458 14.238 ( -1.870 0.000 0.614) 1.968 14.342 ( -3.231 0.000 0.587) 3.284 14.348 ( 1.027 0.000 -4.467) 4.584 14.409 ( -1.910 0.000 -1.447) 2.396 14.488 ( -1.654 0.000 0.914) 1.890 14.555 ( -3.037 0.000 4.819) 5.696 14.598 ( -0.788 0.000 0.268) 0.833 14.616 ( 0.994 0.000 5.245) 5.339 14.632 ( 1.186 0.000 2.612) 2.868 14.929 ( -0.597 0.000 -3.370) 3.423 14.955 ( -1.107 0.000 -0.970) 1.472 14.962 ( -1.923 0.000 -2.969) 3.537 15.000 ( -2.824 0.000 -6.002) 6.633 15.186 ( -2.102 0.000 -7.220) 7.520 15.230 ( -0.451 0.000 -0.330) 0.559 15.391 ( -5.920 0.000 2.056) 6.267 15.503 ( -2.158 0.000 7.212) 7.528 15.506 ( -2.398 0.000 -3.650) 4.367 15.568 ( -1.365 0.000 1.904) 2.343 15.616 ( -2.472 0.000 -3.329) 4.147 15.679 ( -2.768 0.000 -0.691) 2.853 15.681 ( -0.690 0.000 0.747) 1.017 15.916 ( -9.598 0.000 3.472) 10.206 15.971 ( -10.772 0.000 1.870) 10.933 16.172 ( -10.430 0.000 2.324) 10.686 16.399 ( -8.213 0.000 -3.013) 8.748 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 28.246 0.000 30.641) 41.674 1.873 ( 34.267 0.000 20.581) 39.973 2.791 ( 47.741 0.000 17.805) 50.953 3.127 ( 19.472 0.000 -15.338) 24.787 3.492 ( 7.580 0.000 -26.015) 27.096 3.727 ( -8.133 0.000 7.597) 11.129 3.798 ( 3.489 0.000 2.102) 4.073 3.817 ( 6.322 0.000 0.577) 6.348 3.951 ( 5.893 0.000 2.048) 6.239 4.014 ( -1.460 0.000 -4.496) 4.727 4.121 ( 5.864 0.000 0.863) 5.927 4.132 ( 4.090 0.000 -4.403) 6.010 4.366 ( 6.616 0.000 -0.747) 6.658 4.377 ( 3.551 0.000 4.511) 5.741 4.425 ( 4.673 0.000 10.819) 11.785 4.497 ( -0.900 0.000 -4.413) 4.504 4.631 ( 2.696 0.000 -1.363) 3.021 4.847 ( 6.143 0.000 -17.096) 18.166 4.859 ( 1.079 0.000 1.728) 2.037 4.940 ( 3.150 0.000 4.453) 5.455 5.069 ( 3.602 0.000 16.062) 16.461 5.135 ( 4.466 0.000 -8.171) 9.311 5.337 ( 18.255 0.000 -6.537) 19.390 5.434 ( 1.554 0.000 -1.492) 2.154 5.527 ( 1.647 0.000 5.493) 5.734 5.703 ( 15.268 0.000 4.379) 15.883 5.748 ( 23.643 0.000 2.250) 23.750 5.949 ( 9.277 0.000 -9.620) 13.365 5.955 ( -0.987 0.000 -0.100) 0.992 6.231 ( 16.623 0.000 -2.913) 16.876 6.256 ( 0.533 0.000 0.745) 0.916 6.396 ( 11.404 0.000 5.292) 12.572 6.481 ( 12.215 0.000 -0.532) 12.226 6.579 ( 5.488 0.000 -1.940) 5.821 6.715 ( 1.135 0.000 -13.115) 13.164 6.867 ( -0.653 0.000 0.024) 0.654 6.970 ( -3.689 0.000 5.163) 6.345 7.048 ( 1.320 0.000 -2.630) 2.943 7.168 ( -4.394 0.000 -0.041) 4.395 7.187 ( 0.504 0.000 0.001) 0.504 7.458 ( 5.156 0.000 1.045) 5.261 7.463 ( 7.492 0.000 0.921) 7.548 7.630 ( -5.318 0.000 -0.286) 5.326 7.705 ( 0.334 0.000 -3.945) 3.959 8.262 ( -2.344 0.000 1.654) 2.869 8.272 ( -4.878 0.000 2.111) 5.315 8.422 ( -4.232 0.000 -1.026) 4.354 8.499 ( 1.632 0.000 -2.364) 2.873 8.867 ( -4.788 0.000 1.349) 4.974 8.901 ( -3.605 0.000 2.727) 4.520 8.902 ( -1.759 0.000 0.123) 1.764 9.006 ( -6.357 0.000 -3.400) 7.209 9.121 ( 2.879 0.000 -0.960) 3.035 9.137 ( -3.068 0.000 -2.565) 3.999 9.288 ( 1.145 0.000 -1.688) 2.040 9.335 ( -4.161 0.000 1.935) 4.589 9.468 ( 0.819 0.000 2.356) 2.495 9.469 ( -0.053 0.000 -1.021) 1.022 9.511 ( 6.719 0.000 -1.798) 6.956 9.596 ( -1.492 0.000 -2.013) 2.506 9.634 ( -0.692 0.000 0.927) 1.157 9.667 ( 1.575 0.000 -2.576) 3.019 9.753 ( 3.210 0.000 1.395) 3.500 9.753 ( 0.769 0.000 3.703) 3.782 9.902 ( 1.529 0.000 0.232) 1.547 9.909 ( -3.402 0.000 -1.227) 3.616 9.912 ( -0.032 0.000 -4.399) 4.399 10.020 ( -2.438 0.000 -2.853) 3.753 10.087 ( -2.703 0.000 0.124) 2.706 10.133 ( -1.513 0.000 0.964) 1.794 10.280 ( 1.275 0.000 6.011) 6.145 10.430 ( 0.601 0.000 5.128) 5.163 10.553 ( 2.496 0.000 3.532) 4.325 10.616 ( -3.218 0.000 3.483) 4.742 10.986 ( 8.302 0.000 -1.527) 8.441 11.140 ( -5.436 0.000 1.902) 5.759 11.390 ( -7.039 0.000 -0.695) 7.074 11.448 ( -6.800 0.000 -1.421) 6.947 11.530 ( -9.523 0.000 -2.024) 9.736 11.731 ( -6.536 0.000 -4.114) 7.723 11.878 ( -0.801 0.000 8.821) 8.857 12.100 ( -2.272 0.000 5.083) 5.568 12.208 ( 0.356 0.000 8.642) 8.649 12.350 ( -1.882 0.000 5.259) 5.586 12.432 ( -1.354 0.000 -4.702) 4.893 12.532 ( -0.632 0.000 -6.011) 6.045 12.691 ( -1.342 0.000 -3.436) 3.689 12.697 ( -1.504 0.000 -4.595) 4.835 13.798 ( 1.790 0.000 0.091) 1.792 13.847 ( -0.365 0.000 -1.034) 1.096 13.878 ( 6.476 0.000 0.346) 6.485 13.917 ( 4.446 0.000 -0.538) 4.479 13.918 ( -2.756 0.000 3.028) 4.094 14.092 ( -4.836 0.000 -1.737) 5.138 14.221 ( 0.822 0.000 3.941) 4.026 14.303 ( -0.234 0.000 -0.481) 0.535 14.311 ( -2.201 0.000 -0.825) 2.351 14.428 ( -4.431 0.000 1.259) 4.606 14.445 ( 3.773 0.000 -4.453) 5.837 14.487 ( -3.707 0.000 4.267) 5.653 14.544 ( -4.094 0.000 -1.673) 4.423 14.663 ( 3.246 0.000 6.075) 6.888 14.665 ( 2.052 0.000 1.693) 2.660 14.882 ( -4.377 0.000 -3.451) 5.574 14.912 ( -2.956 0.000 -2.022) 3.581 14.933 ( -1.337 0.000 -3.803) 4.031 14.950 ( -1.178 0.000 -3.001) 3.223 15.123 ( -3.690 0.000 -5.564) 6.676 15.212 ( -1.367 0.000 -0.899) 1.636 15.226 ( -11.242 0.000 1.519) 11.344 15.427 ( -5.535 0.000 -2.416) 6.039 15.442 ( -4.389 0.000 5.531) 7.060 15.477 ( -13.628 0.000 -3.650) 14.108 15.517 ( -3.705 0.000 2.278) 4.349 15.614 ( -7.559 0.000 -0.728) 7.594 15.614 ( -3.047 0.000 -0.572) 3.101 15.747 ( -7.938 0.000 3.677) 8.748 15.749 ( -2.589 0.000 2.719) 3.755 15.893 ( -15.957 0.000 3.164) 16.267 16.187 ( -11.771 0.000 -3.600) 12.310 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 28.108 0.000 22.896) 36.253 2.567 ( 33.958 0.000 12.057) 36.035 3.366 ( -16.561 0.000 10.289) 19.496 3.499 ( 16.571 0.000 -9.796) 19.250 3.585 ( 23.405 0.000 1.771) 23.472 3.719 ( 9.687 0.000 -7.309) 12.135 3.733 ( -18.555 0.000 3.686) 18.918 3.922 ( 8.159 0.000 -3.405) 8.841 3.971 ( -4.518 0.000 -1.776) 4.854 4.005 ( 6.186 0.000 -6.850) 9.230 4.162 ( -1.508 0.000 -4.481) 4.728 4.187 ( 0.381 0.000 -4.456) 4.473 4.332 ( -1.776 0.000 1.009) 2.043 4.479 ( 0.024 0.000 1.666) 1.666 4.489 ( 0.179 0.000 -0.738) 0.759 4.496 ( 1.474 0.000 12.018) 12.109 4.712 ( 4.443 0.000 1.237) 4.612 4.847 ( -1.531 0.000 5.230) 5.450 5.011 ( 9.167 0.000 -12.917) 15.840 5.031 ( 5.238 0.000 3.566) 6.337 5.115 ( 1.098 0.000 7.898) 7.974 5.210 ( 1.511 0.000 -7.101) 7.260 5.487 ( 3.636 0.000 -5.930) 6.956 5.525 ( 3.881 0.000 -9.124) 9.915 5.534 ( 2.496 0.000 11.222) 11.496 5.803 ( -8.777 0.000 4.069) 9.675 5.934 ( 6.438 0.000 2.166) 6.793 6.116 ( -0.830 0.000 -3.477) 3.574 6.327 ( 22.557 0.000 0.769) 22.570 6.436 ( 7.954 0.000 2.200) 8.253 6.517 ( 25.842 0.000 -2.658) 25.979 6.661 ( 4.948 0.000 -0.583) 4.983 6.685 ( 4.134 0.000 -1.657) 4.454 6.752 ( 8.001 0.000 -2.879) 8.503 6.786 ( 4.077 0.000 -5.051) 6.491 6.864 ( 4.391 0.000 -3.633) 5.700 6.947 ( 4.840 0.000 2.617) 5.503 7.064 ( -0.201 0.000 1.125) 1.143 7.092 ( -3.672 0.000 -5.065) 6.257 7.178 ( -1.924 0.000 -1.494) 2.436 7.588 ( 4.754 0.000 1.090) 4.878 7.610 ( 10.506 0.000 1.721) 10.646 7.749 ( 20.893 0.000 -0.122) 20.893 7.782 ( 8.543 0.000 -3.304) 9.160 8.143 ( -10.629 0.000 1.491) 10.733 8.163 ( -7.186 0.000 3.928) 8.189 8.266 ( -11.513 0.000 -1.580) 11.621 8.512 ( -2.912 0.000 -5.395) 6.131 8.781 ( -3.299 0.000 2.162) 3.945 8.823 ( -4.196 0.000 2.630) 4.952 8.833 ( -6.734 0.000 0.596) 6.760 8.898 ( -1.129 0.000 -2.883) 3.097 9.047 ( -4.451 0.000 1.689) 4.761 9.198 ( 4.489 0.000 -1.593) 4.763 9.212 ( -7.481 0.000 2.523) 7.895 9.298 ( 0.017 0.000 -2.217) 2.217 9.470 ( 0.176 0.000 -0.386) 0.425 9.524 ( 4.415 0.000 0.341) 4.428 9.540 ( -3.308 0.000 -3.532) 4.839 9.616 ( 3.650 0.000 -1.423) 3.917 9.662 ( 3.232 0.000 0.028) 3.232 9.675 ( -0.487 0.000 -1.908) 1.969 9.764 ( 0.235 0.000 4.421) 4.427 9.773 ( -2.803 0.000 1.857) 3.362 9.848 ( -2.508 0.000 1.689) 3.023 9.940 ( 7.191 0.000 -0.898) 7.247 9.981 ( -1.593 0.000 -2.271) 2.774 10.011 ( -6.544 0.000 -1.197) 6.653 10.022 ( -2.624 0.000 0.227) 2.634 10.034 ( 5.514 0.000 -1.499) 5.714 10.292 ( -1.077 0.000 3.493) 3.655 10.367 ( -8.008 0.000 0.586) 8.030 10.640 ( 5.731 0.000 5.025) 7.622 10.658 ( 9.165 0.000 5.760) 10.825 10.987 ( -9.600 0.000 5.064) 10.853 11.173 ( 8.762 0.000 -4.692) 9.939 11.258 ( -4.822 0.000 -1.483) 5.045 11.276 ( -14.185 0.000 -0.367) 14.190 11.312 ( -5.969 0.000 -1.725) 6.213 11.581 ( -8.338 0.000 -4.454) 9.453 11.885 ( 1.767 0.000 7.526) 7.731 12.032 ( -4.159 0.000 5.955) 7.264 12.237 ( 2.112 0.000 6.796) 7.117 12.317 ( -1.572 0.000 5.528) 5.747 12.430 ( 1.326 0.000 -6.103) 6.246 12.516 ( -1.224 0.000 -6.264) 6.382 12.660 ( -1.116 0.000 -3.254) 3.440 12.673 ( -1.294 0.000 -4.366) 4.553 13.837 ( 2.257 0.000 -0.122) 2.261 13.843 ( 0.011 0.000 -0.332) 0.332 13.871 ( -1.565 0.000 2.037) 2.569 13.985 ( -4.308 0.000 -1.095) 4.445 14.027 ( 5.384 0.000 0.334) 5.394 14.034 ( 8.365 0.000 -0.131) 8.366 14.265 ( 3.216 0.000 3.856) 5.021 14.300 ( -0.449 0.000 0.112) 0.463 14.305 ( -6.303 0.000 1.003) 6.382 14.348 ( 3.269 0.000 1.124) 3.457 14.421 ( -1.883 0.000 2.934) 3.486 14.466 ( -0.953 0.000 -2.250) 2.444 14.538 ( 5.277 0.000 -4.524) 6.950 14.711 ( 2.349 0.000 0.955) 2.536 14.742 ( 2.622 0.000 2.717) 3.776 14.778 ( -3.933 0.000 -3.607) 5.336 14.841 ( -4.889 0.000 -1.696) 5.175 14.901 ( -2.911 0.000 -0.464) 2.948 14.924 ( -16.347 0.000 0.857) 16.370 14.929 ( -1.592 0.000 -3.727) 4.053 15.072 ( -0.556 0.000 -2.781) 2.836 15.103 ( -16.111 0.000 -3.884) 16.573 15.171 ( -4.623 0.000 0.286) 4.632 15.274 ( -8.696 0.000 0.618) 8.717 15.373 ( -3.047 0.000 6.563) 7.236 15.454 ( -1.534 0.000 -0.061) 1.535 15.500 ( -3.498 0.000 0.874) 3.605 15.500 ( -9.831 0.000 -0.919) 9.874 15.650 ( -3.550 0.000 3.996) 5.345 15.661 ( -3.011 0.000 1.969) 3.598 15.758 ( 2.109 0.000 -1.005) 2.337 15.968 ( -9.181 0.000 -3.781) 9.929 ======================= Grid point 49 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -25.218 0.000 16.375) 30.068 2.920 ( 25.218 0.000 16.375) 30.068 3.215 ( -29.767 0.000 6.094) 30.385 3.215 ( 29.767 0.000 6.094) 30.385 3.802 ( -11.876 0.000 -4.529) 12.710 3.802 ( 11.876 0.000 -4.529) 12.710 3.824 ( -3.337 0.000 -4.711) 5.773 3.824 ( 3.337 0.000 -4.711) 5.773 4.089 ( -5.836 0.000 -3.628) 6.872 4.089 ( 5.836 0.000 -3.628) 6.872 4.132 ( -5.332 0.000 -7.487) 9.192 4.132 ( 5.332 0.000 -7.487) 9.192 4.396 ( -7.621 0.000 0.280) 7.626 4.396 ( 7.621 0.000 0.280) 7.626 4.495 ( -1.146 0.000 8.594) 8.670 4.495 ( 1.146 0.000 8.594) 8.670 4.793 ( -3.601 0.000 4.360) 5.654 4.793 ( 3.601 0.000 4.360) 5.654 5.111 ( -2.017 0.000 4.246) 4.701 5.111 ( 2.017 0.000 4.246) 4.701 5.168 ( -5.520 0.000 -9.199) 10.727 5.168 ( 5.520 0.000 -9.199) 10.727 5.546 ( -1.447 0.000 -8.870) 8.987 5.546 ( 1.447 0.000 -8.870) 8.987 5.636 ( -7.199 0.000 8.356) 11.029 5.636 ( 7.199 0.000 8.356) 11.029 6.045 ( -4.863 0.000 0.220) 4.868 6.045 ( 4.863 0.000 0.220) 4.868 6.539 ( -2.093 0.000 2.314) 3.120 6.539 ( 2.093 0.000 2.314) 3.120 6.731 ( -2.295 0.000 -3.482) 4.170 6.731 ( 2.295 0.000 -3.482) 4.170 6.743 ( -3.645 0.000 -0.047) 3.646 6.743 ( 3.645 0.000 -0.047) 3.646 6.952 ( -10.334 0.000 -2.228) 10.571 6.952 ( 10.334 0.000 -2.228) 10.571 7.019 ( -4.121 0.000 -3.370) 5.324 7.019 ( 4.121 0.000 -3.370) 5.324 7.101 ( -6.152 0.000 -1.833) 6.420 7.101 ( 6.152 0.000 -1.833) 6.420 7.839 ( -17.443 0.000 1.348) 17.495 7.839 ( 17.443 0.000 1.348) 17.495 7.901 ( -17.321 0.000 1.571) 17.392 7.901 ( 17.321 0.000 1.571) 17.392 8.020 ( -12.624 0.000 -0.055) 12.624 8.020 ( 12.624 0.000 -0.055) 12.624 8.234 ( -23.055 0.000 -3.475) 23.315 8.234 ( 23.055 0.000 -3.475) 23.315 8.757 ( -1.361 0.000 2.528) 2.872 8.757 ( 1.361 0.000 2.528) 2.872 8.827 ( -4.970 0.000 -1.247) 5.124 8.827 ( 4.970 0.000 -1.247) 5.124 9.066 ( -5.875 0.000 2.934) 6.567 9.066 ( 5.875 0.000 2.934) 6.567 9.277 ( -2.627 0.000 -2.984) 3.976 9.277 ( 2.627 0.000 -2.984) 3.976 9.486 ( -1.707 0.000 -1.872) 2.534 9.486 ( 1.707 0.000 -1.872) 2.534 9.616 ( -3.764 0.000 -2.633) 4.594 9.616 ( 3.764 0.000 -2.633) 4.594 9.702 ( -3.456 0.000 2.046) 4.016 9.702 ( 3.456 0.000 2.046) 4.016 9.749 ( -3.212 0.000 1.807) 3.685 9.749 ( 3.212 0.000 1.807) 3.685 9.844 ( -4.444 0.000 2.107) 4.918 9.844 ( 4.444 0.000 2.107) 4.918 9.962 ( -0.497 0.000 -1.490) 1.571 9.962 ( 0.497 0.000 -1.490) 1.571 10.163 ( -11.112 0.000 0.820) 11.142 10.163 ( 11.112 0.000 0.820) 11.142 10.204 ( -7.615 0.000 -0.618) 7.640 10.204 ( 7.615 0.000 -0.618) 7.640 10.787 ( -9.142 0.000 6.739) 11.358 10.787 ( 9.142 0.000 6.739) 11.358 10.930 ( -16.372 0.000 1.526) 16.443 10.930 ( 16.372 0.000 1.526) 16.443 11.229 ( -1.853 0.000 -2.055) 2.767 11.229 ( 1.853 0.000 -2.055) 2.767 11.393 ( -10.163 0.000 -4.653) 11.178 11.393 ( 10.163 0.000 -4.653) 11.178 11.946 ( -4.001 0.000 6.608) 7.725 11.946 ( 4.001 0.000 6.608) 7.725 12.281 ( -2.076 0.000 5.894) 6.249 12.281 ( 2.076 0.000 5.894) 6.249 12.476 ( -2.614 0.000 -6.765) 7.253 12.476 ( 2.614 0.000 -6.765) 7.253 12.653 ( -0.435 0.000 -3.482) 3.509 12.653 ( 0.435 0.000 -3.482) 3.509 13.849 ( -0.624 0.000 0.734) 0.963 13.849 ( 0.624 0.000 0.734) 0.963 13.897 ( -3.765 0.000 -0.395) 3.785 13.897 ( 3.765 0.000 -0.395) 3.785 14.161 ( -7.249 0.000 0.936) 7.310 14.161 ( 7.249 0.000 0.936) 7.310 14.202 ( -7.835 0.000 -0.186) 7.837 14.202 ( 7.835 0.000 -0.186) 7.837 14.333 ( -3.210 0.000 4.204) 5.290 14.333 ( 3.210 0.000 4.204) 5.290 14.563 ( -13.648 0.000 -0.461) 13.656 14.563 ( 13.648 0.000 -0.461) 13.656 14.599 ( -9.823 0.000 -3.203) 10.332 14.599 ( 9.823 0.000 -3.203) 10.332 14.674 ( -6.486 0.000 -2.906) 7.108 14.674 ( 6.486 0.000 -2.906) 7.108 14.783 ( -3.333 0.000 -0.012) 3.333 14.783 ( 3.333 0.000 -0.012) 3.333 14.887 ( -2.930 0.000 -2.067) 3.586 14.887 ( 2.930 0.000 -2.067) 3.586 15.033 ( -6.287 0.000 1.763) 6.530 15.033 ( 6.287 0.000 1.763) 6.530 15.122 ( -5.531 0.000 -0.257) 5.537 15.122 ( 5.531 0.000 -0.257) 5.537 15.365 ( -2.830 0.000 2.558) 3.815 15.365 ( 2.830 0.000 2.558) 3.815 15.454 ( -1.207 0.000 0.202) 1.224 15.454 ( 1.207 0.000 0.202) 1.224 15.631 ( -0.515 0.000 2.095) 2.157 15.631 ( 0.515 0.000 2.095) 2.157 15.827 ( -4.984 0.000 -2.827) 5.730 15.827 ( 4.984 0.000 -2.827) 5.730 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 34.257 19.779) 39.557 1.174 ( 0.000 30.234 26.051) 39.910 2.026 ( 0.000 45.133 49.120) 66.706 2.655 ( 0.000 7.629 -25.972) 27.069 3.248 ( 0.000 -4.156 -31.700) 31.971 3.435 ( 0.000 -14.965 4.981) 15.772 3.494 ( 0.000 -26.578 1.126) 26.602 3.542 ( 0.000 -12.757 -1.399) 12.834 3.593 ( 0.000 -12.069 -0.273) 12.072 3.675 ( 0.000 -3.199 8.307) 8.901 3.739 ( 0.000 -10.918 12.633) 16.697 3.975 ( 0.000 5.117 -2.474) 5.684 4.147 ( 0.000 -1.730 -4.897) 5.194 4.210 ( 0.000 -1.918 0.553) 1.997 4.354 ( 0.000 4.181 5.505) 6.912 4.498 ( 0.000 -3.900 3.886) 5.506 4.589 ( 0.000 7.249 -3.069) 7.872 4.679 ( 0.000 -4.838 -5.861) 7.600 4.729 ( 0.000 -4.589 0.291) 4.598 4.836 ( 0.000 4.797 -9.137) 10.319 4.858 ( 0.000 9.956 2.848) 10.355 5.110 ( 0.000 9.470 5.953) 11.186 5.136 ( 0.000 1.346 -4.916) 5.097 5.216 ( 0.000 -5.819 3.657) 6.873 5.303 ( 0.000 9.794 -0.106) 9.795 5.434 ( 0.000 0.124 -3.733) 3.735 5.668 ( 0.000 0.003 -1.325) 1.325 5.696 ( 0.000 -5.742 -6.097) 8.375 5.888 ( 0.000 6.068 2.800) 6.682 6.091 ( 0.000 -2.613 6.003) 6.548 6.216 ( 0.000 5.335 -2.721) 5.989 6.273 ( 0.000 -5.800 7.890) 9.792 6.283 ( 0.000 -0.664 0.590) 0.888 6.547 ( 0.000 9.186 -0.379) 9.193 6.789 ( 0.000 1.114 -22.554) 22.582 6.888 ( 0.000 -6.651 -6.906) 9.588 6.899 ( 0.000 0.155 2.167) 2.172 7.040 ( 0.000 0.040 -3.790) 3.791 7.199 ( 0.000 -6.905 1.735) 7.119 7.276 ( 0.000 -6.336 0.623) 6.367 7.333 ( 0.000 0.574 3.131) 3.183 7.490 ( 0.000 5.683 -2.501) 6.209 7.674 ( 0.000 -5.333 0.165) 5.335 7.743 ( 0.000 -2.861 -1.083) 3.059 8.278 ( 0.000 -0.432 2.190) 2.232 8.393 ( 0.000 -2.559 2.004) 3.251 8.453 ( 0.000 0.338 -1.778) 1.810 8.500 ( 0.000 -1.791 0.800) 1.962 8.884 ( 0.000 -3.645 0.262) 3.655 8.894 ( 0.000 -11.438 0.287) 11.442 8.988 ( 0.000 2.872 4.025) 4.945 9.018 ( 0.000 3.621 -4.380) 5.683 9.092 ( 0.000 4.745 -2.124) 5.199 9.218 ( 0.000 1.684 0.671) 1.813 9.220 ( 0.000 3.761 -2.446) 4.487 9.269 ( 0.000 2.692 -3.874) 4.718 9.433 ( 0.000 -1.664 2.418) 2.935 9.462 ( 0.000 -1.644 3.971) 4.298 9.579 ( 0.000 -2.052 7.363) 7.644 9.595 ( 0.000 -2.503 -3.306) 4.147 9.661 ( 0.000 1.216 -0.573) 1.344 9.715 ( 0.000 3.208 0.260) 3.219 9.752 ( 0.000 2.013 -4.859) 5.260 9.804 ( 0.000 5.525 3.550) 6.567 9.853 ( 0.000 11.260 -5.463) 12.515 9.940 ( 0.000 0.730 2.929) 3.019 10.016 ( 0.000 2.168 -0.215) 2.179 10.043 ( 0.000 -2.828 -0.039) 2.829 10.147 ( 0.000 1.562 0.966) 1.836 10.208 ( 0.000 2.401 -7.399) 7.779 10.264 ( 0.000 1.441 5.959) 6.131 10.447 ( 0.000 -0.093 4.100) 4.101 10.548 ( 0.000 -1.146 3.191) 3.390 10.623 ( 0.000 -2.940 -2.367) 3.774 10.736 ( 0.000 -6.974 6.885) 9.800 11.282 ( 0.000 0.260 -4.715) 4.722 11.463 ( 0.000 -7.463 0.099) 7.463 11.549 ( 0.000 0.865 3.354) 3.464 11.783 ( 0.000 3.993 -6.338) 7.491 11.871 ( 0.000 0.550 -2.857) 2.910 11.957 ( 0.000 2.271 6.818) 7.187 12.093 ( 0.000 -1.642 6.282) 6.493 12.230 ( 0.000 -0.961 8.099) 8.156 12.334 ( 0.000 -4.873 1.544) 5.111 12.510 ( 0.000 2.268 -1.223) 2.577 12.633 ( 0.000 4.484 -3.951) 5.977 12.728 ( 0.000 1.502 -4.041) 4.311 12.745 ( 0.000 -2.191 -1.680) 2.761 13.741 ( 0.000 0.826 0.880) 1.207 13.773 ( 0.000 1.804 0.825) 1.983 13.821 ( 0.000 1.260 -0.902) 1.549 13.859 ( 0.000 -0.247 -1.584) 1.603 14.088 ( 0.000 5.247 2.277) 5.720 14.200 ( 0.000 2.955 0.476) 2.993 14.267 ( 0.000 -3.125 -0.117) 3.127 14.277 ( 0.000 0.844 -1.899) 2.078 14.424 ( 0.000 2.874 -2.123) 3.573 14.456 ( 0.000 1.345 -0.742) 1.537 14.521 ( 0.000 1.524 0.271) 1.548 14.572 ( 0.000 -2.003 2.433) 3.151 14.580 ( 0.000 0.068 3.551) 3.551 14.624 ( 0.000 -0.197 -0.377) 0.425 14.685 ( 0.000 5.433 6.643) 8.582 14.874 ( 0.000 -5.106 -4.318) 6.687 14.938 ( 0.000 -2.497 -3.708) 4.471 14.956 ( 0.000 -1.271 1.055) 1.652 14.989 ( 0.000 -3.812 -4.609) 5.981 15.184 ( 0.000 -2.340 -7.447) 7.806 15.287 ( 0.000 3.879 -0.149) 3.882 15.425 ( 0.000 -2.481 4.398) 5.049 15.487 ( 0.000 -2.200 3.303) 3.969 15.539 ( 0.000 -2.764 0.838) 2.888 15.542 ( 0.000 0.828 -1.699) 1.890 15.652 ( 0.000 -0.391 -1.288) 1.346 15.675 ( 0.000 -0.807 1.570) 1.765 15.676 ( 0.000 -1.946 -0.208) 1.957 16.030 ( 0.000 1.318 2.858) 3.148 16.163 ( 0.000 5.771 -0.523) 5.795 16.248 ( 0.000 -2.899 2.365) 3.742 16.467 ( 0.000 -1.768 -2.882) 3.381 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 22.121 19.611 24.174) 38.188 1.567 ( 26.222 26.621 21.200) 42.962 2.344 ( 31.232 38.796 34.745) 60.727 2.838 ( 15.985 7.583 -21.447) 27.803 3.305 ( 5.288 -4.371 -29.683) 30.466 3.489 ( 4.453 -19.941 -2.108) 20.541 3.550 ( 3.133 -15.455 -1.574) 15.847 3.584 ( 7.340 -17.823 3.827) 19.651 3.740 ( 9.845 -6.609 0.986) 11.899 3.816 ( 11.146 -4.207 10.607) 15.951 3.859 ( 11.206 -5.105 9.105) 15.315 3.999 ( 3.847 -0.439 -2.150) 4.429 4.199 ( -0.149 -0.289 3.168) 3.185 4.214 ( 4.661 -2.367 -2.324) 5.721 4.386 ( 2.569 1.282 5.618) 6.310 4.487 ( -1.057 -1.705 1.844) 2.725 4.678 ( 1.738 -3.694 -7.671) 8.689 4.711 ( 0.099 -5.131 1.093) 5.248 4.828 ( 17.183 3.154 -2.711) 17.679 4.885 ( 3.682 5.493 -4.625) 8.069 4.964 ( 10.679 8.951 1.073) 13.975 5.067 ( -3.190 5.582 3.362) 7.255 5.175 ( 3.516 3.759 -4.652) 6.938 5.344 ( 9.286 -2.035 -0.681) 9.530 5.372 ( 6.822 7.328 0.039) 10.012 5.568 ( 13.242 -2.975 -4.401) 14.268 5.640 ( -0.555 1.729 -1.016) 2.081 5.729 ( 5.632 -2.411 -1.710) 6.361 5.860 ( -1.091 5.601 -1.079) 5.807 6.096 ( -0.234 -2.074 6.098) 6.445 6.235 ( 2.033 2.072 -0.249) 2.913 6.300 ( 1.970 -3.379 7.540) 8.494 6.319 ( 3.770 -0.583 -0.404) 3.836 6.541 ( -0.174 6.670 -2.835) 7.249 6.767 ( -1.585 2.139 -18.537) 18.727 6.872 ( -0.869 -3.705 -3.914) 5.459 6.908 ( 0.145 -3.427 0.576) 3.478 7.041 ( -0.533 -1.439 -2.041) 2.553 7.178 ( -2.455 -3.941 0.440) 4.664 7.231 ( -3.144 -3.670 2.087) 5.264 7.323 ( 1.468 0.429 3.281) 3.620 7.489 ( 0.842 5.352 -1.187) 5.546 7.651 ( -2.379 -5.402 0.250) 5.908 7.722 ( -2.089 -1.965 -1.629) 3.298 8.275 ( -0.454 -0.430 2.195) 2.282 8.354 ( -2.900 -1.102 1.622) 3.500 8.454 ( -0.758 0.510 -0.347) 0.977 8.499 ( 0.927 -0.314 -0.643) 1.171 8.840 ( -2.037 -6.970 1.737) 7.466 8.955 ( 0.606 -2.769 -0.011) 2.835 8.996 ( 1.925 -5.921 1.088) 6.321 9.029 ( -0.029 6.442 -3.306) 7.241 9.083 ( -0.560 3.159 -2.177) 3.877 9.187 ( -2.211 4.023 -2.644) 5.298 9.267 ( 0.141 2.761 -1.908) 3.359 9.285 ( 4.419 -0.469 -1.848) 4.813 9.410 ( -2.169 -0.933 2.236) 3.252 9.459 ( -0.390 -1.123 3.360) 3.564 9.559 ( -1.620 -1.984 4.373) 5.068 9.593 ( -0.554 -1.784 -1.325) 2.290 9.655 ( 0.552 2.210 -1.533) 2.746 9.719 ( -0.006 2.467 -1.633) 2.959 9.755 ( -0.128 3.217 -1.157) 3.421 9.818 ( 1.791 3.383 2.600) 4.627 9.887 ( 1.103 2.346 -5.073) 5.697 9.921 ( -0.600 3.436 2.244) 4.148 10.010 ( -2.908 -1.707 -0.633) 3.431 10.035 ( -0.361 0.601 -2.794) 2.881 10.137 ( -1.584 2.351 1.428) 3.174 10.161 ( -1.082 4.011 -0.471) 4.181 10.292 ( 2.004 3.957 4.875) 6.591 10.436 ( -0.586 -0.184 4.427) 4.469 10.519 ( -1.801 -1.349 3.273) 3.972 10.644 ( 0.144 -1.891 -1.494) 2.414 10.746 ( 2.210 -8.818 5.883) 10.828 11.261 ( -2.192 -0.416 -5.584) 6.013 11.421 ( -3.926 -5.603 1.207) 6.947 11.521 ( -2.853 0.038 2.782) 3.985 11.737 ( -4.643 3.928 -5.719) 8.349 11.837 ( -3.521 0.424 -3.324) 4.861 11.941 ( -1.336 2.618 7.181) 7.760 12.099 ( 0.403 -1.607 5.605) 5.844 12.212 ( -1.555 -0.900 8.201) 8.396 12.317 ( -1.485 -4.606 2.484) 5.440 12.492 ( -1.585 2.146 -1.612) 3.117 12.616 ( -1.596 4.123 -4.434) 6.262 12.716 ( -1.581 -0.281 -2.661) 3.107 12.726 ( -1.044 0.058 -3.542) 3.693 13.754 ( 1.736 0.309 1.026) 2.040 13.810 ( 2.815 1.078 0.206) 3.021 13.846 ( 0.925 0.808 -0.801) 1.467 13.865 ( 2.079 0.942 -1.604) 2.790 14.048 ( -3.265 5.338 2.234) 6.645 14.195 ( -0.839 3.269 -0.556) 3.420 14.261 ( -1.007 1.178 -0.121) 1.555 14.279 ( 0.418 -2.406 0.806) 2.572 14.408 ( -1.719 2.550 -1.658) 3.494 14.441 ( -1.291 3.400 -1.953) 4.128 14.483 ( -2.520 0.832 1.181) 2.904 14.553 ( -1.729 -0.926 2.906) 3.506 14.581 ( -0.580 -1.361 1.165) 1.883 14.608 ( -1.031 -1.330 0.690) 1.819 14.684 ( 0.029 4.724 5.733) 7.429 14.879 ( 0.224 -4.739 -4.019) 6.217 14.924 ( -1.454 -2.376 -4.219) 5.056 14.940 ( -1.576 -1.216 0.759) 2.130 14.959 ( -2.554 -3.436 -3.823) 5.739 15.162 ( -2.263 -2.524 -7.181) 7.941 15.278 ( -0.873 3.601 -0.243) 3.713 15.376 ( -4.525 -0.954 3.679) 5.909 15.460 ( -2.598 -2.340 2.650) 4.387 15.512 ( -2.006 -1.263 1.375) 2.740 15.540 ( -1.338 -0.680 -0.784) 1.693 15.624 ( -2.223 -0.918 -0.783) 2.529 15.646 ( -2.727 -0.770 -0.895) 2.971 15.679 ( 0.020 -1.179 0.635) 1.339 15.915 ( -10.837 0.943 3.419) 11.403 16.054 ( -10.121 6.009 -0.248) 11.773 16.138 ( -10.513 -2.937 2.541) 11.207 16.378 ( -8.428 -1.971 -3.098) 9.193 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 30.002 10.555 18.819) 36.956 2.074 ( 24.864 18.786 23.238) 38.873 3.113 ( 37.963 23.393 12.119) 46.209 3.203 ( 19.739 8.128 -10.236) 23.674 3.434 ( 6.780 -6.832 -21.640) 23.684 3.597 ( 5.416 -20.502 -5.405) 21.884 3.629 ( 2.911 -7.403 -2.161) 8.243 3.724 ( 5.528 -15.479 3.308) 16.766 3.786 ( -5.056 -0.076 6.844) 8.509 4.030 ( 5.051 3.739 -0.661) 6.319 4.060 ( 9.999 0.287 -0.026) 10.003 4.209 ( 12.121 -7.724 1.843) 14.491 4.257 ( 5.070 -2.446 5.478) 7.855 4.280 ( 3.668 -6.235 8.294) 11.005 4.427 ( 0.539 -1.534 2.763) 3.206 4.452 ( -0.955 -0.345 0.036) 1.016 4.707 ( 1.287 -0.469 1.273) 1.870 4.772 ( 5.784 -5.060 -3.322) 8.372 4.903 ( -0.485 2.560 -2.124) 3.362 5.018 ( -1.062 4.959 4.172) 6.567 5.066 ( 5.995 5.575 -6.723) 10.593 5.233 ( 4.406 2.731 -10.003) 11.267 5.282 ( 7.198 -3.359 0.926) 7.998 5.452 ( 2.701 1.521 -4.177) 5.202 5.635 ( 11.457 5.994 3.727) 13.457 5.776 ( 16.551 7.666 2.467) 18.406 5.826 ( 18.947 3.052 -0.778) 19.207 5.901 ( 10.646 0.141 -3.982) 11.367 6.011 ( 2.489 3.878 0.970) 4.709 6.175 ( 16.208 -1.797 -2.570) 16.508 6.302 ( 3.339 0.787 3.242) 4.720 6.345 ( 9.274 -4.349 5.900) 11.821 6.460 ( 10.392 -2.001 -0.380) 10.590 6.566 ( 2.979 0.705 -5.241) 6.070 6.744 ( -0.506 1.538 -13.752) 13.847 6.864 ( -0.249 -3.532 -2.751) 4.484 6.887 ( -1.988 -3.214 3.767) 5.336 7.026 ( -0.206 -2.654 2.382) 3.572 7.126 ( -1.924 -0.971 -2.751) 3.494 7.206 ( -0.448 -1.032 -1.051) 1.539 7.400 ( 6.421 -1.331 3.035) 7.226 7.535 ( 4.150 3.173 -0.649) 5.264 7.588 ( -2.728 -3.437 0.347) 4.402 7.690 ( -0.082 -1.383 -2.931) 3.242 8.251 ( -2.097 -0.029 2.662) 3.389 8.294 ( -3.282 0.831 1.794) 3.831 8.414 ( -3.851 0.550 -0.173) 3.893 8.530 ( 1.607 0.280 -2.569) 3.043 8.798 ( -2.201 -4.089 2.811) 5.428 8.914 ( -3.409 2.782 2.017) 4.840 8.973 ( -3.375 5.905 -0.195) 6.805 9.045 ( -1.637 -1.230 -4.277) 4.742 9.097 ( 2.056 -3.633 -1.645) 4.487 9.141 ( -1.794 2.277 -2.397) 3.762 9.261 ( 0.019 2.109 0.729) 2.232 9.330 ( -4.274 -1.779 0.474) 4.654 9.378 ( 2.518 -1.527 -0.047) 2.945 9.458 ( 0.666 -0.032 2.244) 2.341 9.526 ( -1.212 -1.484 1.999) 2.769 9.571 ( -1.595 -1.943 -3.183) 4.056 9.697 ( 3.155 2.598 -2.659) 4.876 9.719 ( -0.211 0.743 -0.673) 1.025 9.743 ( -0.804 1.827 -0.409) 2.038 9.853 ( 0.519 0.116 1.776) 1.854 9.871 ( -1.100 -1.519 -2.244) 2.925 9.926 ( -0.725 3.796 1.006) 3.994 9.959 ( -0.686 1.512 -1.109) 1.997 9.983 ( -1.841 1.392 -1.314) 2.656 10.099 ( -2.313 1.644 2.280) 3.640 10.178 ( -0.051 1.386 0.585) 1.505 10.300 ( -1.835 4.314 2.862) 5.492 10.447 ( 0.767 1.255 3.461) 3.761 10.510 ( 1.843 -2.387 2.535) 3.939 10.611 ( -1.170 -0.796 5.016) 5.212 10.843 ( 6.551 -9.706 1.407) 11.794 11.197 ( -3.848 -1.343 -5.951) 7.213 11.315 ( -6.380 -2.749 2.723) 7.462 11.429 ( -6.109 -0.495 0.449) 6.145 11.588 ( -10.463 3.392 -3.865) 11.658 11.727 ( -7.224 -0.373 -4.099) 8.315 11.915 ( -0.888 2.943 7.330) 7.948 12.096 ( -1.250 -0.580 4.811) 5.004 12.184 ( -0.643 -1.770 7.975) 8.194 12.285 ( -1.491 -4.340 3.601) 5.833 12.459 ( -1.271 2.057 -2.716) 3.637 12.579 ( -1.793 2.919 -5.184) 6.213 12.676 ( -2.038 -1.187 -2.198) 3.223 12.703 ( -1.384 0.487 -4.678) 4.903 13.809 ( 3.159 0.683 0.351) 3.251 13.843 ( 0.787 -0.426 -0.166) 0.910 13.889 ( 4.042 1.229 -0.301) 4.236 13.937 ( 3.944 1.668 -1.386) 4.501 13.982 ( -2.506 5.269 2.362) 6.295 14.147 ( -3.751 3.936 -2.169) 5.854 14.264 ( 0.644 2.835 2.688) 3.959 14.276 ( 0.699 0.034 1.474) 1.631 14.365 ( -2.233 1.936 -0.528) 3.002 14.400 ( -2.541 0.010 0.906) 2.698 14.472 ( 0.785 1.098 -1.723) 2.189 14.499 ( -2.739 1.498 1.863) 3.635 14.536 ( -3.161 -0.462 -1.533) 3.544 14.617 ( 1.510 -3.364 1.856) 4.128 14.690 ( 0.800 1.715 4.659) 5.029 14.861 ( -3.884 -2.530 -3.741) 5.956 14.870 ( -2.864 -4.104 -4.316) 6.608 14.892 ( -1.764 -2.843 -1.361) 3.612 14.931 ( -0.363 -0.752 -0.802) 1.157 15.099 ( -3.563 -2.356 -5.526) 6.985 15.239 ( -7.568 1.540 2.363) 8.077 15.255 ( -3.471 2.947 -0.526) 4.584 15.386 ( -5.158 -2.329 -0.133) 5.661 15.446 ( -6.637 -0.695 -0.167) 6.675 15.468 ( -5.983 -0.098 1.906) 6.280 15.546 ( -7.619 2.022 0.111) 7.884 15.568 ( -3.619 -1.585 -0.145) 3.954 15.661 ( -5.931 0.914 0.379) 6.013 15.695 ( -2.658 -2.641 2.455) 4.480 15.812 ( -12.131 3.034 1.705) 12.621 15.864 ( -14.546 -1.296 2.393) 14.798 16.160 ( -12.073 -2.451 -3.636) 12.844 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 27.865 9.404 18.638) 34.818 2.594 ( 27.201 6.522 13.692) 31.143 3.420 ( -14.198 1.993 3.846) 14.844 3.462 ( 4.838 -3.055 -2.656) 6.308 3.540 ( -5.159 -5.371 -2.871) 7.982 3.648 ( 0.523 -15.166 -0.991) 15.207 3.769 ( 13.313 1.876 -8.725) 16.028 3.813 ( 9.043 -7.845 0.438) 11.980 3.888 ( 17.652 6.920 3.522) 19.284 4.081 ( 1.681 3.889 -3.526) 5.513 4.130 ( -0.850 3.454 -2.932) 4.609 4.254 ( 0.080 2.388 -0.311) 2.410 4.374 ( 0.139 -4.106 3.741) 5.557 4.395 ( 0.959 -3.830 8.327) 9.215 4.441 ( 3.155 -0.683 -0.244) 3.237 4.495 ( 4.701 -0.682 1.615) 5.017 4.738 ( 2.043 1.651 -1.578) 3.064 4.870 ( 0.584 -1.793 -2.024) 2.766 4.914 ( 3.900 -6.098 1.743) 7.445 4.998 ( -1.081 3.135 7.768) 8.446 5.167 ( 4.719 4.415 -9.890) 11.814 5.275 ( 0.439 0.471 -9.976) 9.996 5.357 ( 3.274 -6.352 1.793) 7.367 5.470 ( -0.296 -2.257 -6.631) 7.011 5.752 ( 2.894 10.553 2.024) 11.128 5.895 ( -5.595 6.936 5.686) 10.571 5.954 ( 5.906 1.155 1.877) 6.304 6.147 ( -1.363 3.377 -0.199) 3.647 6.344 ( 19.543 1.677 0.725) 19.629 6.401 ( 8.501 -2.640 2.600) 9.273 6.533 ( 21.018 -1.715 1.536) 21.144 6.622 ( 8.657 0.082 -1.744) 8.831 6.666 ( 5.652 -1.787 -2.382) 6.388 6.718 ( 7.018 -2.708 -2.586) 7.954 6.772 ( 4.646 -2.029 -7.304) 8.891 6.858 ( 0.705 -0.094 -1.859) 1.991 6.915 ( 9.786 -2.498 -0.192) 10.101 7.032 ( 0.238 -2.659 3.143) 4.124 7.095 ( -1.886 0.963 -6.954) 7.269 7.183 ( -2.256 -0.105 -1.860) 2.926 7.564 ( 9.919 -0.335 1.904) 10.105 7.632 ( 8.445 0.495 0.886) 8.506 7.721 ( 15.636 -1.689 -0.043) 15.727 7.778 ( 11.619 -1.132 -2.884) 12.025 8.166 ( -9.840 1.656 1.886) 10.155 8.183 ( -6.930 1.209 3.668) 7.934 8.269 ( -10.887 0.904 -0.992) 10.969 8.499 ( -7.502 -2.837 -3.734) 8.847 8.779 ( 1.784 2.435 1.912) 3.573 8.842 ( -3.027 4.189 2.754) 5.856 8.915 ( -1.644 2.776 -0.004) 3.226 8.950 ( -6.463 4.179 -2.402) 8.063 9.045 ( -4.932 0.318 1.275) 5.104 9.152 ( -3.082 -1.951 -1.414) 3.912 9.232 ( -0.162 -3.244 -1.857) 3.741 9.294 ( 2.013 1.385 0.848) 2.586 9.416 ( 0.628 -2.676 -0.797) 2.862 9.473 ( -0.422 -0.720 1.863) 2.041 9.526 ( 1.404 -1.012 -1.068) 2.034 9.553 ( 1.368 -2.791 -3.595) 4.752 9.692 ( -3.124 -0.533 -0.534) 3.214 9.715 ( -0.833 -1.495 -0.648) 1.830 9.760 ( 1.736 2.440 0.609) 3.056 9.838 ( -2.236 0.773 0.328) 2.389 9.865 ( 2.430 0.281 0.060) 2.447 9.896 ( -2.105 -2.581 -0.639) 3.392 9.973 ( 0.906 4.767 1.173) 4.992 10.010 ( 1.620 2.733 2.759) 4.208 10.074 ( 2.924 0.404 -0.333) 2.971 10.097 ( -6.272 2.943 -0.377) 6.939 10.267 ( -1.564 -1.562 2.381) 3.249 10.360 ( -8.265 -0.710 -0.066) 8.296 10.632 ( 9.467 0.573 4.463) 10.482 10.676 ( 7.007 1.396 5.084) 8.769 10.946 ( 0.260 -4.835 3.107) 5.753 11.146 ( 0.935 -2.305 -4.111) 4.805 11.190 ( -4.375 -3.898 0.201) 5.863 11.284 ( -11.434 1.021 -2.726) 11.798 11.338 ( -9.374 1.314 -1.720) 9.620 11.555 ( -9.650 -2.319 -4.610) 10.943 11.918 ( 1.388 2.807 6.987) 7.657 12.044 ( -3.514 1.120 5.916) 6.971 12.195 ( 1.405 -3.374 6.098) 7.109 12.258 ( -1.316 -4.300 4.271) 6.202 12.458 ( 1.380 2.080 -4.124) 4.821 12.546 ( -1.646 2.045 -5.439) 6.039 12.643 ( -1.078 -1.458 -2.591) 3.163 12.668 ( -1.969 -0.366 -4.543) 4.965 13.844 ( 1.110 1.269 0.245) 1.704 13.892 ( 3.154 2.938 -0.730) 4.371 13.914 ( -1.946 3.914 1.040) 4.493 13.996 ( 3.846 -0.228 -0.621) 3.903 14.041 ( 4.988 1.003 -0.254) 5.094 14.074 ( -1.210 4.604 0.112) 4.762 14.268 ( -1.790 -1.508 0.784) 2.468 14.300 ( -4.988 -2.411 1.487) 5.736 14.323 ( 2.621 4.428 2.819) 5.867 14.365 ( 2.029 2.507 1.482) 3.549 14.445 ( -1.782 2.431 1.765) 3.493 14.499 ( 2.419 2.467 -1.932) 3.958 14.537 ( 3.974 0.063 -3.355) 5.202 14.656 ( 1.698 -4.166 0.803) 4.570 14.712 ( -0.126 -2.035 1.230) 2.381 14.760 ( -5.268 -1.620 -4.078) 6.856 14.816 ( -2.359 -2.842 -1.269) 3.905 14.852 ( -2.347 -1.273 1.901) 3.278 14.926 ( -0.613 -0.373 -2.121) 2.239 15.013 ( -10.202 4.025 -0.707) 10.990 15.053 ( -0.517 -1.592 -2.898) 3.347 15.113 ( -18.314 1.331 -3.370) 18.669 15.190 ( -5.689 1.389 0.055) 5.856 15.262 ( -9.050 -1.320 0.061) 9.146 15.377 ( -2.801 0.673 5.954) 6.614 15.461 ( -1.842 0.222 1.624) 2.465 15.477 ( -7.977 -1.284 2.245) 8.386 15.498 ( -6.011 -0.729 0.130) 6.056 15.635 ( -2.002 -1.147 2.551) 3.440 15.673 ( -3.637 1.372 -0.054) 3.888 15.730 ( 1.377 -2.190 -1.046) 2.790 15.937 ( -9.310 -2.809 -3.788) 10.436 ======================= Grid point 58 (25/45) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -19.995 7.433 15.292) 26.246 3.008 ( 19.995 7.433 15.292) 26.246 3.151 ( -22.121 -2.666 6.650) 23.252 3.151 ( 22.121 -2.666 6.650) 23.252 3.612 ( -3.969 -11.162 -3.017) 12.225 3.612 ( 3.969 -11.162 -3.017) 12.225 3.927 ( -3.625 -8.992 -7.444) 12.223 3.927 ( 3.625 -8.992 -7.444) 12.223 4.070 ( -6.838 8.589 -3.038) 11.391 4.070 ( 6.838 8.589 -3.038) 11.391 4.217 ( -4.043 8.070 -2.037) 9.253 4.217 ( 4.043 8.070 -2.037) 9.253 4.381 ( -3.432 -2.336 2.510) 4.851 4.381 ( 3.432 -2.336 2.510) 4.851 4.498 ( -3.553 2.236 4.375) 6.063 4.498 ( 3.553 2.236 4.375) 6.063 4.814 ( -4.750 -2.095 -2.105) 5.602 4.814 ( 4.750 -2.095 -2.105) 5.602 4.980 ( -1.510 -3.534 6.446) 7.505 4.980 ( 1.510 -3.534 6.446) 7.505 5.249 ( -2.973 1.886 -9.691) 10.311 5.249 ( 2.973 1.886 -9.691) 10.311 5.433 ( -3.442 -5.650 -3.744) 7.602 5.433 ( 3.442 -5.650 -3.744) 7.602 5.804 ( -3.085 9.655 4.249) 10.991 5.804 ( 3.085 9.655 4.249) 10.991 6.065 ( -5.120 1.739 2.218) 5.844 6.065 ( 5.120 1.739 2.218) 5.844 6.507 ( -2.594 -3.100 1.790) 4.421 6.507 ( 2.594 -3.100 1.790) 4.421 6.679 ( -3.347 -3.906 -1.834) 5.461 6.679 ( 3.347 -3.906 -1.834) 5.461 6.745 ( -4.403 0.258 0.097) 4.412 6.745 ( 4.403 0.258 0.097) 4.412 6.954 ( -4.901 -0.859 -1.230) 5.126 6.954 ( 4.901 -0.859 -1.230) 5.126 7.010 ( -3.104 0.670 -5.197) 6.090 7.010 ( 3.104 0.670 -5.197) 6.090 7.108 ( -5.556 0.426 -2.867) 6.267 7.108 ( 5.556 0.426 -2.867) 6.267 7.860 ( -17.481 1.479 1.162) 17.582 7.860 ( 17.481 1.479 1.162) 17.582 7.919 ( -17.946 1.502 1.663) 18.086 7.919 ( 17.946 1.502 1.663) 18.086 8.021 ( -13.393 0.033 -0.039) 13.393 8.021 ( 13.393 0.033 -0.039) 13.393 8.190 ( -21.642 -3.503 -1.913) 22.007 8.190 ( 21.642 -3.503 -1.913) 22.007 8.825 ( -1.459 5.228 1.442) 5.616 8.825 ( 1.459 5.228 1.442) 5.616 8.875 ( -4.071 4.183 -1.347) 5.991 8.875 ( 4.071 4.183 -1.347) 5.991 9.029 ( -5.124 -2.525 2.857) 6.386 9.029 ( 5.124 -2.525 2.857) 6.386 9.293 ( -2.893 -0.715 -4.534) 5.426 9.293 ( 2.893 -0.715 -4.534) 5.426 9.436 ( -2.175 -1.530 1.128) 2.889 9.436 ( 2.175 -1.530 1.128) 2.889 9.575 ( -2.160 -2.604 -2.576) 4.252 9.575 ( 2.160 -2.604 -2.576) 4.252 9.670 ( -3.045 -1.792 1.446) 3.818 9.670 ( 3.045 -1.792 1.446) 3.818 9.789 ( -1.772 0.323 0.628) 1.907 9.789 ( 1.772 0.323 0.628) 1.907 9.909 ( -3.388 2.457 0.775) 4.256 9.909 ( 3.388 2.457 0.775) 4.256 9.948 ( -5.430 2.471 0.831) 6.023 9.948 ( 5.430 2.471 0.831) 6.023 10.151 ( -5.505 -1.178 1.002) 5.718 10.151 ( 5.505 -1.178 1.002) 5.718 10.209 ( -2.070 -0.267 -0.098) 2.089 10.209 ( 2.070 -0.267 -0.098) 2.089 10.795 ( -6.017 1.231 5.530) 8.264 10.795 ( 6.017 1.231 5.530) 8.264 10.967 ( -14.207 2.854 0.757) 14.510 10.967 ( 14.207 2.854 0.757) 14.510 11.172 ( -1.298 -4.468 -1.949) 5.044 11.172 ( 1.298 -4.468 -1.949) 5.044 11.358 ( -8.744 -3.281 -5.101) 10.642 11.358 ( 8.744 -3.281 -5.101) 10.642 11.970 ( -3.487 2.135 6.608) 7.770 11.970 ( 3.487 2.135 6.608) 7.770 12.228 ( -1.667 -4.096 4.952) 6.639 12.228 ( 1.667 -4.096 4.952) 6.639 12.504 ( -2.585 2.069 -5.196) 6.161 12.504 ( 2.585 2.069 -5.196) 6.161 12.638 ( -0.711 -1.307 -3.536) 3.836 12.638 ( 0.711 -1.307 -3.536) 3.836 13.873 ( -1.759 2.540 0.725) 3.173 13.873 ( 1.759 2.540 0.725) 3.173 13.962 ( -3.548 4.660 -1.446) 6.033 13.962 ( 3.548 4.660 -1.446) 6.033 14.157 ( -4.114 -1.072 0.869) 4.339 14.157 ( 4.114 -1.072 0.869) 4.339 14.178 ( -4.028 -1.227 1.231) 4.387 14.178 ( 4.028 -1.227 1.231) 4.387 14.385 ( -2.873 4.311 2.440) 5.727 14.385 ( 2.873 4.311 2.440) 5.727 14.529 ( -11.139 -0.847 0.916) 11.209 14.529 ( 11.139 -0.847 0.916) 11.209 14.608 ( -1.847 -0.898 -2.010) 2.874 14.608 ( 1.847 -0.898 -2.010) 2.874 14.683 ( -2.613 -0.175 -2.933) 3.932 14.683 ( 2.613 -0.175 -2.933) 3.932 14.807 ( -5.103 2.119 -1.127) 5.639 14.807 ( 5.103 2.119 -1.127) 5.639 14.890 ( -3.009 1.028 -2.149) 3.838 14.890 ( 3.009 1.028 -2.149) 3.838 15.009 ( -7.798 -2.305 1.935) 8.359 15.009 ( 7.798 -2.305 1.935) 8.359 15.109 ( -5.318 -1.366 -0.654) 5.529 15.109 ( 5.318 -1.366 -0.654) 5.529 15.366 ( -1.969 0.418 3.451) 3.995 15.366 ( 1.969 0.418 3.451) 3.995 15.451 ( -0.774 -0.368 1.143) 1.429 15.451 ( 0.774 -0.368 1.143) 1.429 15.629 ( -0.945 0.093 0.752) 1.211 15.629 ( 0.945 0.093 0.752) 1.211 15.796 ( -4.935 -2.783 -2.901) 6.365 15.796 ( 4.935 -2.783 -2.901) 6.365 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.000 36.692 9.012) 37.782 1.983 ( 0.000 39.417 4.649) 39.690 2.705 ( 0.000 -22.351 9.646) 24.343 2.833 ( 0.000 -28.011 -6.948) 28.860 2.897 ( 0.000 6.322 -10.663) 12.396 3.116 ( 0.000 27.664 18.217) 33.124 3.200 ( 0.000 -5.175 -14.247) 15.158 3.253 ( 0.000 -3.187 -11.930) 12.349 3.336 ( 0.000 -9.318 -10.007) 13.674 3.646 ( 0.000 -0.698 15.657) 15.672 3.647 ( 0.000 -0.490 10.811) 10.823 3.931 ( 0.000 -26.436 8.087) 27.645 4.095 ( 0.000 5.493 -1.730) 5.759 4.192 ( 0.000 -1.786 2.936) 3.436 4.292 ( 0.000 -5.278 6.856) 8.653 4.340 ( 0.000 -4.146 9.719) 10.566 4.600 ( 0.000 -1.113 4.815) 4.942 4.614 ( 0.000 -2.076 5.287) 5.681 4.742 ( 0.000 6.410 -4.408) 7.779 4.859 ( 0.000 -3.487 -9.338) 9.968 5.100 ( 0.000 9.641 0.978) 9.690 5.160 ( 0.000 -0.022 -1.102) 1.102 5.178 ( 0.000 3.117 -8.510) 9.062 5.340 ( 0.000 -6.932 -1.259) 7.045 5.388 ( 0.000 11.805 -0.439) 11.813 5.501 ( 0.000 6.585 -3.291) 7.361 5.614 ( 0.000 -5.322 -3.222) 6.221 5.618 ( 0.000 -2.471 -5.769) 6.276 6.050 ( 0.000 7.164 1.752) 7.375 6.073 ( 0.000 0.843 4.966) 5.037 6.155 ( 0.000 -3.304 7.382) 8.088 6.224 ( 0.000 -4.611 1.956) 5.009 6.380 ( 0.000 9.035 -7.104) 11.493 6.612 ( 0.000 -11.614 -11.719) 16.499 6.736 ( 0.000 7.609 -7.107) 10.411 6.846 ( 0.000 -2.162 -14.545) 14.705 6.926 ( 0.000 2.824 1.513) 3.204 7.034 ( 0.000 -6.954 0.863) 7.008 7.050 ( 0.000 1.307 -3.067) 3.334 7.125 ( 0.000 -5.914 -0.045) 5.915 7.407 ( 0.000 5.118 4.380) 6.736 7.537 ( 0.000 -6.595 3.621) 7.524 7.592 ( 0.000 3.891 -0.968) 4.010 7.671 ( 0.000 -3.553 -0.533) 3.593 8.284 ( 0.000 1.079 2.378) 2.611 8.327 ( 0.000 -2.879 2.225) 3.639 8.467 ( 0.000 1.088 -2.351) 2.591 8.491 ( 0.000 -0.419 -1.193) 1.264 8.736 ( 0.000 -2.373 4.305) 4.916 8.772 ( 0.000 -4.444 4.175) 6.098 9.102 ( 0.000 3.097 -6.916) 7.578 9.131 ( 0.000 3.908 -3.061) 4.965 9.172 ( 0.000 5.516 0.785) 5.571 9.265 ( 0.000 1.758 1.247) 2.156 9.274 ( 0.000 1.241 0.216) 1.260 9.332 ( 0.000 -1.571 0.616) 1.688 9.405 ( 0.000 0.516 0.515) 0.729 9.424 ( 0.000 1.240 0.280) 1.271 9.492 ( 0.000 -4.674 1.991) 5.081 9.511 ( 0.000 -5.035 -3.417) 6.085 9.675 ( 0.000 0.685 1.986) 2.101 9.700 ( 0.000 -1.429 4.416) 4.642 9.839 ( 0.000 5.053 -5.141) 7.209 9.886 ( 0.000 0.606 -1.648) 1.755 9.907 ( 0.000 2.748 -0.606) 2.814 9.937 ( 0.000 -0.661 0.780) 1.022 9.985 ( 0.000 -2.406 0.589) 2.478 10.018 ( 0.000 -5.468 -5.898) 8.042 10.269 ( 0.000 4.657 4.494) 6.472 10.304 ( 0.000 1.565 4.725) 4.978 10.455 ( 0.000 2.554 2.939) 3.894 10.516 ( 0.000 1.745 2.671) 3.191 10.518 ( 0.000 -5.704 7.231) 9.209 10.551 ( 0.000 21.900 -1.875) 21.980 10.594 ( 0.000 -5.213 -0.226) 5.218 11.040 ( 0.000 -19.327 -6.371) 20.350 11.471 ( 0.000 4.350 2.786) 5.166 11.544 ( 0.000 -1.754 2.038) 2.689 11.854 ( 0.000 2.386 -8.003) 8.351 11.882 ( 0.000 -0.159 -6.634) 6.636 12.000 ( 0.000 1.815 6.309) 6.565 12.047 ( 0.000 -2.405 6.409) 6.846 12.221 ( 0.000 0.361 5.691) 5.702 12.250 ( 0.000 -2.523 3.584) 4.383 12.580 ( 0.000 3.979 -0.185) 3.983 12.663 ( 0.000 -2.852 -1.640) 3.289 12.733 ( 0.000 1.740 -2.085) 2.716 12.752 ( 0.000 0.287 -3.375) 3.387 13.766 ( 0.000 1.341 0.733) 1.528 13.790 ( 0.000 -0.492 0.443) 0.662 13.846 ( 0.000 0.859 -1.269) 1.532 13.855 ( 0.000 -0.085 -1.312) 1.315 14.214 ( 0.000 4.166 0.315) 4.177 14.234 ( 0.000 -0.173 0.836) 0.854 14.285 ( 0.000 3.893 -0.703) 3.955 14.287 ( 0.000 1.348 -1.870) 2.305 14.431 ( 0.000 -2.130 0.925) 2.323 14.451 ( 0.000 -4.562 3.105) 5.518 14.544 ( 0.000 4.923 -1.779) 5.235 14.588 ( 0.000 2.550 1.331) 2.877 14.603 ( 0.000 -1.744 0.438) 1.798 14.673 ( 0.000 7.983 -0.498) 7.999 14.729 ( 0.000 -7.659 -3.212) 8.305 14.809 ( 0.000 4.864 3.587) 6.043 14.853 ( 0.000 -6.738 -3.883) 7.777 14.908 ( 0.000 -3.291 2.277) 4.002 14.960 ( 0.000 3.793 -1.836) 4.214 15.086 ( 0.000 -6.287 -5.229) 8.177 15.371 ( 0.000 3.303 0.331) 3.319 15.394 ( 0.000 -0.177 4.805) 4.808 15.442 ( 0.000 -1.289 3.727) 3.943 15.474 ( 0.000 -3.133 0.258) 3.144 15.567 ( 0.000 1.545 -2.455) 2.900 15.609 ( 0.000 -2.314 -1.376) 2.692 15.657 ( 0.000 -0.355 -0.411) 0.543 15.659 ( 0.000 -0.545 0.492) 0.734 16.082 ( 0.000 3.357 2.975) 4.486 16.167 ( 0.000 -4.166 2.871) 5.059 16.297 ( 0.000 5.929 -2.281) 6.353 16.406 ( 0.000 -3.951 -2.896) 4.898 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.184 34.631 7.142) 36.797 2.248 ( 17.887 33.352 11.578) 39.577 2.763 ( 5.692 -30.123 2.180) 30.734 2.981 ( 11.676 -29.570 6.508) 32.451 3.062 ( 15.029 12.776 -14.844) 24.687 3.268 ( 13.233 17.044 5.709) 22.320 3.283 ( 6.995 0.008 -19.325) 20.552 3.377 ( 12.152 9.801 0.690) 15.627 3.457 ( 12.776 -14.124 -7.136) 20.338 3.795 ( 12.176 0.068 12.698) 17.593 3.800 ( 13.587 -0.525 9.975) 16.864 4.018 ( 6.720 -14.904 3.069) 16.634 4.113 ( 2.953 -1.622 1.481) 3.681 4.182 ( -0.614 -2.417 4.245) 4.923 4.327 ( 2.405 -5.508 8.033) 10.033 4.359 ( 1.520 -3.786 8.760) 9.663 4.563 ( -2.700 -1.845 6.394) 7.182 4.581 ( -0.532 -3.240 4.683) 5.719 4.924 ( 13.275 4.296 -7.358) 15.774 4.980 ( 8.043 0.630 -11.085) 13.710 5.105 ( 0.086 4.381 -1.803) 4.738 5.180 ( 1.042 1.694 -5.998) 6.320 5.289 ( 13.230 2.499 -0.788) 13.487 5.360 ( -0.628 8.242 -3.685) 9.050 5.463 ( 10.138 -4.091 1.013) 10.979 5.542 ( 2.570 1.628 -1.199) 3.270 5.632 ( 5.315 -0.023 -3.931) 6.611 5.689 ( 9.684 -1.945 -3.577) 10.505 6.041 ( -0.250 8.367 1.053) 8.437 6.081 ( 0.725 0.813 4.710) 4.835 6.178 ( 1.991 -3.062 7.507) 8.348 6.254 ( 2.859 -5.598 1.875) 6.560 6.388 ( 0.607 9.206 -6.696) 11.400 6.627 ( 1.036 -10.920 -10.898) 15.463 6.707 ( -2.394 6.428 -7.270) 9.995 6.807 ( -2.884 -1.909 -10.718) 11.262 6.924 ( -0.650 1.925 0.723) 2.156 6.986 ( -2.294 -3.441 2.061) 4.621 7.097 ( 1.811 -1.584 -3.414) 4.177 7.129 ( 0.843 -4.098 -0.867) 4.272 7.393 ( -0.668 4.874 4.615) 6.746 7.516 ( -1.712 -6.122 3.419) 7.218 7.589 ( -0.124 3.617 -0.915) 3.733 7.662 ( -0.839 -3.179 -0.906) 3.410 8.280 ( -0.416 1.031 2.565) 2.796 8.317 ( -0.872 -2.101 2.463) 3.353 8.475 ( 0.244 1.027 -1.656) 1.964 8.493 ( 0.368 -0.290 -1.628) 1.694 8.742 ( 0.697 -1.077 4.252) 4.441 8.800 ( 2.729 -5.835 3.246) 7.213 9.043 ( -2.627 4.812 -2.148) 5.888 9.120 ( -2.065 -0.932 -4.183) 4.757 9.208 ( 0.769 7.499 -0.550) 7.558 9.247 ( -1.358 2.112 -0.865) 2.656 9.286 ( 0.183 -0.493 1.377) 1.474 9.320 ( -0.670 -0.024 0.648) 0.933 9.410 ( -0.214 0.841 -0.208) 0.893 9.441 ( 1.802 1.780 -0.577) 2.598 9.490 ( -0.204 -4.612 -3.390) 5.727 9.518 ( 0.620 -4.022 -0.070) 4.070 9.671 ( -0.224 0.270 2.157) 2.186 9.697 ( -0.063 -1.870 3.963) 4.383 9.826 ( -1.376 3.725 -3.827) 5.514 9.870 ( -1.673 -0.896 -1.720) 2.561 9.902 ( 0.028 4.085 0.334) 4.099 9.938 ( -0.500 -0.625 -0.222) 0.830 9.977 ( -0.623 -2.262 0.343) 2.371 10.000 ( -1.285 -4.578 -3.332) 5.806 10.246 ( -1.916 6.828 3.981) 8.133 10.302 ( -0.432 3.070 4.951) 5.841 10.420 ( -3.177 -0.461 2.791) 4.254 10.501 ( -1.299 0.044 2.322) 2.661 10.530 ( 0.233 -1.519 4.515) 4.769 10.568 ( 1.331 3.987 -0.816) 4.282 10.603 ( 1.949 7.374 0.836) 7.673 11.019 ( -1.903 -17.948 -6.090) 19.048 11.447 ( -2.451 3.935 2.231) 5.145 11.511 ( -3.262 -1.546 1.755) 4.014 11.809 ( -4.634 2.514 -7.433) 9.113 11.841 ( -4.198 -0.439 -6.223) 7.519 11.995 ( -0.456 2.354 6.255) 6.699 12.050 ( 0.344 -2.678 5.962) 6.545 12.205 ( -1.519 0.449 5.957) 6.164 12.236 ( -1.348 -2.537 3.936) 4.873 12.559 ( -1.915 3.771 -0.621) 4.274 12.638 ( -2.274 -2.743 -2.063) 4.117 12.719 ( -1.357 1.813 -2.465) 3.347 12.741 ( -1.145 0.102 -3.658) 3.834 13.772 ( 1.129 1.228 0.970) 1.930 13.800 ( 0.977 -1.204 0.584) 1.657 13.874 ( 1.956 1.119 -1.403) 2.655 13.884 ( 3.128 0.339 -1.681) 3.568 14.182 ( -2.506 5.319 0.655) 5.916 14.232 ( -0.649 -0.878 0.719) 1.307 14.271 ( -1.039 2.305 -1.449) 2.914 14.301 ( 1.124 2.362 -0.357) 2.640 14.414 ( -1.796 -1.990 1.425) 3.036 14.453 ( 0.232 -4.313 2.609) 5.046 14.537 ( -1.769 1.883 1.272) 2.880 14.566 ( -1.084 5.925 -2.002) 6.347 14.581 ( -1.816 -0.571 0.186) 1.913 14.639 ( -2.685 6.920 0.063) 7.423 14.727 ( -0.424 -6.418 -3.212) 7.189 14.803 ( -0.679 3.594 3.584) 5.121 14.814 ( -3.265 -7.638 -3.985) 9.213 14.887 ( -2.052 -3.247 2.049) 4.353 14.958 ( -0.302 3.448 -1.959) 3.976 15.069 ( -1.714 -5.619 -5.023) 7.729 15.354 ( -1.813 2.518 1.339) 3.380 15.372 ( -2.162 0.649 3.408) 4.088 15.418 ( -2.265 -0.767 2.702) 3.608 15.459 ( -1.521 -2.959 0.501) 3.365 15.552 ( -1.701 1.261 -1.509) 2.600 15.587 ( -2.141 -1.835 -0.892) 2.958 15.640 ( -1.478 -0.103 -0.601) 1.599 15.650 ( -0.757 -1.106 -0.219) 1.358 15.964 ( -11.308 3.395 3.390) 12.284 16.052 ( -11.075 -4.338 3.181) 12.312 16.196 ( -9.462 6.169 -2.376) 11.543 16.311 ( -8.945 -4.231 -3.073) 10.361 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 19.368 25.018 7.796) 32.585 2.599 ( 16.681 27.530 17.345) 36.565 2.921 ( 9.687 -29.189 0.109) 30.755 3.208 ( 9.835 -26.118 10.974) 29.988 3.361 ( 10.702 5.665 -13.466) 18.109 3.445 ( 6.894 -2.512 -11.201) 13.391 3.512 ( 12.404 3.198 -14.142) 19.081 3.719 ( 8.167 -6.893 -5.635) 12.081 3.804 ( 25.244 25.512 9.833) 37.213 4.007 ( 8.812 -0.269 13.218) 15.888 4.054 ( 7.144 -1.843 5.244) 9.051 4.118 ( 5.586 1.153 -1.043) 5.798 4.181 ( 1.674 -3.456 1.823) 4.250 4.254 ( 6.393 -2.404 9.216) 11.471 4.352 ( 1.686 -3.887 4.403) 6.110 4.400 ( 4.824 -7.760 3.954) 9.956 4.604 ( 6.932 -4.062 6.974) 10.639 4.638 ( 6.117 -4.779 4.110) 8.784 4.978 ( -3.140 4.046 -6.993) 8.668 5.057 ( -1.565 -2.008 -9.568) 9.901 5.177 ( 2.917 3.690 -7.304) 8.688 5.239 ( 2.414 -1.841 -2.602) 3.998 5.336 ( -1.169 7.336 -5.058) 8.987 5.453 ( -1.331 -2.087 -7.926) 8.304 5.708 ( 16.054 1.837 4.691) 16.826 5.767 ( 16.539 -3.735 0.505) 16.963 5.969 ( 25.724 8.102 -0.556) 26.975 6.069 ( 12.278 5.632 1.616) 13.604 6.099 ( 4.037 4.308 4.417) 7.373 6.130 ( 22.582 -1.434 -2.295) 22.743 6.218 ( 1.833 -3.569 7.722) 8.702 6.354 ( 8.147 -8.066 0.300) 11.468 6.396 ( 0.420 8.933 -4.682) 10.094 6.628 ( -0.775 -5.970 -6.790) 9.074 6.669 ( -0.725 0.463 -8.486) 8.529 6.760 ( -1.288 -2.565 -7.630) 8.152 6.904 ( -0.931 1.807 1.338) 2.434 6.958 ( -0.441 -3.092 3.593) 4.760 7.120 ( 0.982 0.703 -3.625) 3.821 7.159 ( 1.529 -2.526 -2.301) 3.743 7.418 ( 4.181 2.779 3.865) 6.336 7.500 ( 1.388 -4.297 2.339) 5.085 7.595 ( 1.260 2.482 -1.038) 2.971 7.648 ( 0.019 -2.304 -1.654) 2.837 8.264 ( -1.322 1.187 3.056) 3.534 8.293 ( -1.923 -1.002 2.811) 3.550 8.449 ( -3.323 2.154 -0.121) 3.962 8.497 ( -0.992 -2.308 -2.073) 3.257 8.772 ( 2.547 1.939 3.453) 4.708 8.877 ( 4.667 -7.313 1.176) 8.754 9.002 ( -2.118 4.554 -0.004) 5.022 9.076 ( -2.164 -1.154 -1.931) 3.121 9.153 ( -5.232 6.456 -1.004) 8.370 9.200 ( -3.780 1.237 -2.341) 4.615 9.282 ( -0.466 -0.536 0.906) 1.151 9.313 ( -0.756 0.545 0.237) 0.962 9.379 ( -2.243 1.323 0.064) 2.605 9.464 ( -2.274 -4.907 -5.286) 7.562 9.490 ( 2.478 2.339 -1.405) 3.686 9.538 ( 1.339 -0.442 -0.836) 1.639 9.667 ( -0.174 -0.675 2.708) 2.796 9.714 ( 1.533 -3.046 1.246) 3.631 9.780 ( -3.210 1.988 -1.452) 4.045 9.823 ( -2.970 -2.188 -0.919) 3.801 9.909 ( -0.512 2.700 -0.802) 2.863 9.912 ( -0.060 1.979 0.306) 2.003 9.979 ( 0.976 -2.334 0.292) 2.547 9.989 ( 0.364 -2.807 0.905) 2.972 10.201 ( -2.581 6.957 3.039) 8.019 10.273 ( -2.985 6.490 3.751) 8.068 10.333 ( -5.332 -2.680 2.381) 6.425 10.447 ( -4.867 -4.701 0.542) 6.788 10.539 ( 3.057 3.300 2.784) 5.290 10.637 ( 5.426 -4.601 2.188) 7.443 10.672 ( 4.641 8.568 0.794) 9.776 10.978 ( -1.587 -14.339 -4.817) 15.210 11.366 ( -5.805 3.264 1.226) 6.771 11.414 ( -6.209 -1.212 0.288) 6.332 11.658 ( -10.571 2.907 -5.812) 12.408 11.708 ( -9.100 -1.586 -5.551) 10.777 11.987 ( -0.161 3.450 6.087) 6.999 12.059 ( 0.542 -2.903 5.151) 5.937 12.165 ( -2.310 0.497 6.477) 6.895 12.203 ( -1.807 -2.878 4.427) 5.581 12.518 ( -1.640 3.266 -1.667) 4.017 12.587 ( -2.282 -2.500 -2.920) 4.471 12.680 ( -2.407 1.700 -3.106) 4.281 12.707 ( -2.226 -0.444 -4.167) 4.745 13.821 ( 3.532 0.471 0.977) 3.694 13.832 ( 2.432 -0.529 0.843) 2.628 13.928 ( 3.215 1.976 -1.596) 4.098 13.956 ( 3.777 -0.248 -2.186) 4.371 14.125 ( -3.014 6.770 1.521) 7.565 14.208 ( -1.512 0.865 0.014) 1.742 14.246 ( -1.399 -0.796 0.321) 1.642 14.312 ( -1.908 -3.236 -0.625) 3.808 14.378 ( 0.276 3.226 2.928) 4.365 14.461 ( 0.356 -1.599 0.716) 1.788 14.489 ( -1.696 2.852 1.952) 3.850 14.539 ( -1.390 -0.902 0.474) 1.724 14.545 ( -1.604 5.525 -1.658) 5.987 14.605 ( -0.436 4.759 -1.369) 4.971 14.698 ( -2.252 -4.295 -2.202) 5.326 14.745 ( -3.168 -6.743 -3.904) 8.411 14.788 ( -0.743 -0.425 2.647) 2.782 14.834 ( -2.785 -2.732 2.278) 4.518 14.946 ( -0.768 2.301 -2.107) 3.213 15.023 ( -2.469 -4.159 -4.329) 6.491 15.280 ( -6.086 2.116 2.914) 7.072 15.314 ( -3.908 0.492 1.130) 4.098 15.354 ( -4.237 0.785 -0.584) 4.349 15.405 ( -4.666 -2.486 -1.184) 5.418 15.490 ( -4.195 1.650 1.855) 4.875 15.529 ( -3.504 -1.785 0.579) 3.975 15.598 ( -4.624 2.025 -1.263) 5.204 15.638 ( -0.429 -2.103 -1.491) 2.613 15.680 ( -12.767 1.842 4.748) 13.745 15.757 ( -16.364 -4.473 4.472) 17.544 15.958 ( -12.603 6.210 -2.535) 14.277 16.081 ( -12.647 -4.793 -3.496) 13.969 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 21.796 14.394 8.013) 27.321 2.928 ( 16.139 20.250 15.992) 30.434 3.131 ( 10.303 -20.511 1.700) 23.016 3.356 ( 2.046 -13.044 6.810) 14.856 3.461 ( -4.251 -3.455 -3.499) 6.500 3.475 ( 3.605 -10.343 -1.290) 11.029 3.597 ( -10.657 8.898 3.700) 14.367 3.770 ( 1.450 -4.483 -7.888) 9.188 4.054 ( 2.400 1.669 3.731) 4.740 4.169 ( 7.093 -5.387 -2.852) 9.352 4.261 ( 13.981 9.623 2.013) 17.092 4.286 ( 8.787 0.300 -0.784) 8.827 4.316 ( 13.288 4.846 5.270) 15.095 4.382 ( 2.698 2.159 0.821) 3.552 4.415 ( 2.671 2.811 4.738) 6.122 4.482 ( 1.845 -1.863 -3.236) 4.165 4.718 ( 3.034 -2.352 -0.344) 3.855 4.798 ( 8.234 -6.924 3.125) 11.203 4.901 ( -4.248 4.527 -4.655) 7.759 5.008 ( -2.777 -3.731 -3.114) 5.597 5.210 ( 2.021 0.791 -6.352) 6.713 5.259 ( 1.094 -3.115 -2.283) 4.014 5.303 ( -2.055 4.003 -6.622) 8.006 5.401 ( -3.135 -3.860 -7.077) 8.649 5.927 ( 4.578 4.518 5.259) 8.308 5.966 ( 6.638 -0.069 3.750) 7.624 6.051 ( -2.548 6.946 6.955) 10.154 6.180 ( -3.241 -3.719 8.172) 9.545 6.386 ( 10.922 4.584 -1.314) 11.918 6.420 ( 3.713 5.587 -2.763) 7.255 6.501 ( 8.281 -2.782 -0.627) 8.758 6.564 ( 9.075 -4.446 -2.428) 10.393 6.616 ( 3.420 -4.003 -2.428) 5.797 6.642 ( 18.889 -2.576 -0.931) 19.087 6.783 ( 14.420 3.346 -7.967) 16.811 6.852 ( 13.714 -2.739 -5.570) 15.054 6.880 ( -1.463 2.088 0.864) 2.693 6.959 ( 0.502 -3.998 2.594) 4.792 7.132 ( -0.421 2.145 -4.871) 5.339 7.170 ( -0.836 -1.135 -2.361) 2.750 7.587 ( 12.503 2.077 1.755) 12.796 7.627 ( 10.758 -1.061 1.307) 10.889 7.697 ( 11.257 0.003 -0.374) 11.263 7.731 ( 11.836 -2.619 -1.803) 12.256 8.196 ( -9.254 0.832 2.621) 9.654 8.200 ( -6.587 0.422 3.542) 7.491 8.316 ( -10.237 3.178 -0.045) 10.719 8.404 ( -9.301 -4.782 -0.742) 10.485 8.859 ( 6.033 4.068 1.033) 7.349 8.944 ( -2.344 3.797 1.165) 4.612 8.954 ( 0.152 -2.410 -0.158) 2.420 9.020 ( -3.947 0.109 0.230) 3.955 9.036 ( -4.911 2.856 0.492) 5.702 9.120 ( -1.597 -2.355 -3.713) 4.678 9.201 ( -7.169 3.590 -3.459) 8.732 9.302 ( -2.676 -3.229 -2.017) 4.653 9.368 ( 2.353 0.953 2.083) 3.284 9.449 ( 2.837 -5.095 -0.443) 5.849 9.531 ( 0.890 3.825 -0.024) 3.927 9.564 ( 0.842 2.152 -3.106) 3.871 9.658 ( -1.593 -0.067 1.689) 2.322 9.691 ( -3.019 -0.134 0.470) 3.059 9.739 ( -1.985 -5.145 -0.851) 5.580 9.756 ( -2.203 -3.551 0.262) 4.187 9.913 ( 2.234 3.521 0.460) 4.195 9.937 ( 1.713 4.703 0.259) 5.012 10.010 ( 1.732 -4.151 1.033) 4.615 10.019 ( 2.198 -2.325 1.038) 3.364 10.139 ( -3.027 5.172 1.856) 6.273 10.181 ( -5.370 6.552 2.095) 8.727 10.224 ( -4.869 -2.835 2.071) 6.003 10.316 ( -7.544 -4.183 0.686) 8.653 10.682 ( 10.617 3.666 2.543) 11.516 10.763 ( 6.487 6.137 1.475) 9.050 10.804 ( 8.425 -5.312 2.027) 10.164 10.978 ( 1.752 -10.150 -2.070) 10.506 11.219 ( -7.910 3.233 -0.316) 8.551 11.280 ( -6.398 -1.887 -2.954) 7.296 11.390 ( -15.150 3.858 -3.959) 16.127 11.483 ( -12.628 -4.131 -5.013) 14.201 11.996 ( 1.255 4.112 6.077) 7.444 12.069 ( -0.029 -0.409 4.900) 4.917 12.120 ( -1.491 -1.567 6.606) 6.951 12.166 ( -1.818 -3.726 4.764) 6.315 12.510 ( 1.060 2.608 -2.896) 4.039 12.562 ( -0.092 -1.492 -3.855) 4.135 12.627 ( -2.815 0.851 -3.301) 4.421 12.653 ( -2.959 -1.073 -4.358) 5.376 13.883 ( 3.184 2.064 0.804) 3.879 13.922 ( 5.574 -1.013 0.128) 5.666 13.988 ( 1.578 2.756 -1.764) 3.632 14.023 ( 1.801 0.643 -2.356) 3.035 14.080 ( 0.548 4.333 2.308) 4.940 14.172 ( -2.220 3.075 -0.143) 3.796 14.201 ( -3.735 -4.436 2.111) 6.172 14.241 ( -3.528 -2.449 0.584) 4.334 14.427 ( 3.248 4.146 1.501) 5.476 14.459 ( 1.066 5.333 1.015) 5.533 14.498 ( 1.426 -1.123 0.077) 1.817 14.529 ( 0.556 1.320 0.639) 1.568 14.545 ( 1.785 0.877 -0.496) 2.050 14.608 ( 0.446 2.160 -1.675) 2.769 14.665 ( -0.907 -4.875 -3.163) 5.882 14.683 ( -2.860 -3.384 -3.016) 5.359 14.770 ( -0.610 -0.377 2.088) 2.208 14.807 ( 0.988 -2.940 3.604) 4.755 14.933 ( -0.312 1.767 -2.530) 3.102 14.994 ( 0.384 -3.198 -3.130) 4.491 15.100 ( -11.612 4.050 0.321) 12.302 15.156 ( -13.958 1.040 -1.565) 14.084 15.209 ( -8.906 -0.170 -0.704) 8.935 15.215 ( -13.029 -2.085 -1.285) 13.257 15.410 ( -2.806 2.233 5.074) 6.214 15.451 ( -3.930 -0.634 4.534) 6.034 15.461 ( -3.800 -0.514 3.507) 5.197 15.467 ( -5.985 -1.858 2.829) 6.876 15.622 ( 0.244 0.467 -0.824) 0.978 15.660 ( 1.497 -2.622 -2.090) 3.672 15.750 ( -7.376 4.239 -2.283) 8.808 15.853 ( -9.164 -4.699 -3.565) 10.898 ======================= Grid point 67 (30/45) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -14.110 5.131 6.852) 16.503 3.132 ( 14.110 5.131 6.852) 16.503 3.252 ( -9.419 5.161 10.015) 14.685 3.252 ( 9.419 5.161 10.015) 14.685 3.378 ( -2.242 -3.306 1.924) 4.433 3.378 ( 2.242 -3.306 1.924) 4.433 3.636 ( -10.121 -15.433 2.944) 18.689 3.636 ( 10.121 -15.433 2.944) 18.689 4.237 ( -10.110 6.412 -4.924) 12.945 4.237 ( 10.110 6.412 -4.924) 12.945 4.331 ( -4.794 -0.548 -7.425) 8.855 4.331 ( 4.794 -0.548 -7.425) 8.855 4.428 ( -2.534 4.187 0.469) 4.916 4.428 ( 2.534 4.187 0.469) 4.916 4.497 ( -1.699 -2.211 3.983) 4.862 4.497 ( 1.699 -2.211 3.983) 4.862 4.796 ( -5.798 4.871 -3.342) 8.277 4.796 ( 5.798 4.871 -3.342) 8.277 4.933 ( -5.071 -4.177 2.107) 6.899 4.933 ( 5.071 -4.177 2.107) 6.899 5.259 ( -2.270 0.708 -6.986) 7.380 5.259 ( 2.270 0.708 -6.986) 7.380 5.321 ( -4.562 -4.553 -3.535) 7.351 5.321 ( 4.562 -4.553 -3.535) 7.351 5.989 ( -2.800 6.981 5.815) 9.507 5.989 ( 2.800 6.981 5.815) 9.507 6.088 ( -5.314 -1.274 7.006) 8.885 6.088 ( 5.314 -1.274 7.006) 8.885 6.459 ( -2.044 0.991 -2.355) 3.272 6.459 ( 2.044 0.991 -2.355) 3.272 6.559 ( -2.187 -6.473 -2.419) 7.248 6.559 ( 2.187 -6.473 -2.419) 7.248 6.794 ( -6.441 4.000 0.826) 7.627 6.794 ( 6.441 4.000 0.826) 7.627 6.890 ( -5.659 -4.245 0.667) 7.105 6.890 ( 5.659 -4.245 0.667) 7.105 7.064 ( -7.463 3.000 -6.130) 10.113 7.064 ( 7.463 3.000 -6.130) 10.113 7.108 ( -6.211 -0.808 -4.582) 7.760 7.108 ( 6.211 -0.808 -4.582) 7.760 7.896 ( -16.987 1.977 1.736) 17.189 7.896 ( 16.987 1.977 1.736) 17.189 7.936 ( -16.245 -0.916 2.303) 16.433 7.936 ( 16.245 -0.916 2.303) 16.433 8.036 ( -16.344 2.179 -0.373) 16.492 8.036 ( 16.344 2.179 -0.373) 16.492 8.107 ( -19.154 -3.791 -0.487) 19.532 8.107 ( 19.154 -3.791 -0.487) 19.532 8.917 ( -0.957 2.728 0.777) 2.993 8.917 ( 0.957 2.728 0.777) 2.993 8.954 ( -1.839 -0.448 1.604) 2.481 8.954 ( 1.839 -0.448 1.604) 2.481 9.039 ( -7.072 6.388 -2.051) 9.748 9.039 ( 7.072 6.388 -2.051) 9.748 9.195 ( -6.004 -6.757 -3.845) 9.823 9.195 ( 6.004 -6.757 -3.845) 9.823 9.469 ( -5.717 3.062 1.490) 6.655 9.469 ( 5.717 3.062 1.490) 6.655 9.545 ( -4.022 -2.307 -0.577) 4.672 9.545 ( 4.022 -2.307 -0.577) 4.672 9.635 ( -0.980 1.622 1.094) 2.188 9.635 ( 0.980 1.622 1.094) 2.188 9.729 ( -1.216 -4.741 -0.609) 4.932 9.729 ( 1.216 -4.741 -0.609) 4.932 9.969 ( -1.414 3.545 1.379) 4.058 9.969 ( 1.414 3.545 1.379) 4.058 10.020 ( -2.086 0.535 -0.046) 2.154 10.020 ( 2.086 0.535 -0.046) 2.154 10.130 ( -0.925 0.766 1.900) 2.248 10.130 ( 0.925 0.766 1.900) 2.248 10.179 ( -4.057 -2.337 1.107) 4.812 10.179 ( 4.057 -2.337 1.107) 4.812 10.857 ( -2.054 4.483 3.333) 5.952 10.857 ( 2.054 4.483 3.333) 5.952 10.970 ( -7.243 -4.577 1.477) 8.694 10.970 ( 7.243 -4.577 1.477) 8.694 11.137 ( -3.361 3.773 -3.940) 6.408 11.137 ( 3.361 3.773 -3.940) 6.408 11.256 ( -6.771 -5.730 -5.182) 10.273 11.256 ( 6.771 -5.730 -5.182) 10.273 12.036 ( -2.457 3.835 6.124) 7.632 12.036 ( 2.457 3.835 6.124) 7.632 12.130 ( -1.664 -4.620 5.184) 7.140 12.130 ( 1.664 -4.620 5.184) 7.140 12.552 ( -2.369 2.276 -4.038) 5.206 12.552 ( 2.369 2.276 -4.038) 5.206 12.600 ( -1.671 -2.065 -3.672) 4.533 12.600 ( 1.671 -2.065 -3.672) 4.533 13.951 ( -3.404 4.211 0.247) 5.421 13.951 ( 3.404 4.211 0.247) 5.421 14.025 ( -3.194 -1.007 -2.071) 3.938 14.025 ( 3.194 -1.007 -2.071) 3.938 14.131 ( -1.094 0.872 2.041) 2.474 14.131 ( 1.094 0.872 2.041) 2.474 14.164 ( -3.573 -1.005 0.750) 3.787 14.164 ( 3.573 -1.005 0.750) 3.787 14.477 ( -1.136 3.505 0.968) 3.810 14.477 ( 1.136 3.505 0.968) 3.810 14.549 ( -1.646 -1.790 0.277) 2.448 14.549 ( 1.646 -1.790 0.277) 2.448 14.574 ( -2.592 2.573 0.206) 3.658 14.574 ( 2.592 2.573 0.206) 3.658 14.653 ( -0.128 -2.643 -3.244) 4.187 14.653 ( 0.128 -2.643 -3.244) 4.187 14.845 ( -9.377 2.190 0.311) 9.634 14.845 ( 9.377 2.190 0.311) 9.634 14.920 ( -9.086 -3.425 1.595) 9.840 14.920 ( 9.086 -3.425 1.595) 9.840 14.973 ( -4.367 3.577 -1.795) 5.923 14.973 ( 4.367 3.577 -1.795) 5.923 15.058 ( -5.587 -3.291 -1.651) 6.692 15.058 ( 5.587 -3.291 -1.651) 6.692 15.392 ( -0.842 1.823 4.226) 4.679 15.392 ( 0.842 1.823 4.226) 4.679 15.431 ( -0.238 -1.510 3.276) 3.615 15.431 ( 0.238 -1.510 3.276) 3.615 15.651 ( -2.706 2.136 -1.850) 3.912 15.651 ( 2.706 2.136 -1.850) 3.912 15.719 ( -4.372 -3.803 -2.903) 6.481 15.719 ( 4.372 -3.803 -2.903) 6.481 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 0.000 35.833) 35.833 1.790 ( 0.000 0.000 45.999) 45.999 1.984 ( 0.000 0.000 -33.787) 33.787 2.568 ( 0.000 0.000 10.614) 10.614 2.634 ( 0.000 0.000 11.239) 11.239 3.533 ( 0.000 0.000 -27.115) 27.115 3.743 ( 0.000 0.000 5.783) 5.783 3.791 ( 0.000 0.000 5.251) 5.251 3.800 ( 0.000 0.000 -1.736) 1.736 3.935 ( 0.000 0.000 6.693) 6.693 3.954 ( 0.000 0.000 2.794) 2.794 3.982 ( 0.000 0.000 -1.406) 1.406 4.005 ( 0.000 0.000 -26.680) 26.680 4.074 ( 0.000 0.000 -7.939) 7.939 4.279 ( 0.000 0.000 8.253) 8.253 4.329 ( 0.000 0.000 7.482) 7.482 4.438 ( 0.000 0.000 -8.195) 8.195 4.489 ( 0.000 0.000 -8.100) 8.100 4.605 ( 0.000 0.000 3.953) 3.953 4.690 ( 0.000 0.000 -5.291) 5.291 4.954 ( 0.000 0.000 8.969) 8.969 5.092 ( 0.000 0.000 -5.568) 5.568 5.233 ( 0.000 0.000 6.395) 6.395 5.313 ( 0.000 0.000 -3.229) 3.229 5.404 ( 0.000 0.000 12.802) 12.802 5.405 ( 0.000 0.000 7.247) 7.247 5.576 ( 0.000 0.000 -7.010) 7.010 5.589 ( 0.000 0.000 -11.060) 11.060 5.968 ( 0.000 0.000 14.844) 14.844 6.150 ( 0.000 0.000 1.921) 1.921 6.186 ( 0.000 0.000 -1.869) 1.869 6.333 ( 0.000 0.000 -21.950) 21.950 6.384 ( 0.000 0.000 4.826) 4.826 6.430 ( 0.000 0.000 0.206) 0.206 6.549 ( 0.000 0.000 12.999) 12.999 6.798 ( 0.000 0.000 -13.154) 13.154 6.939 ( 0.000 0.000 1.711) 1.711 6.976 ( 0.000 0.000 -2.822) 2.822 7.338 ( 0.000 0.000 1.212) 1.212 7.344 ( 0.000 0.000 0.046) 0.046 7.383 ( 0.000 0.000 1.092) 1.092 7.394 ( 0.000 0.000 0.168) 0.168 7.707 ( 0.000 0.000 -0.081) 0.081 7.736 ( 0.000 0.000 -2.596) 2.596 8.342 ( 0.000 0.000 3.470) 3.470 8.406 ( 0.000 0.000 -3.100) 3.100 8.453 ( 0.000 0.000 1.456) 1.456 8.490 ( 0.000 0.000 -2.423) 2.423 8.940 ( 0.000 0.000 3.686) 3.686 8.997 ( 0.000 0.000 -2.257) 2.257 9.056 ( 0.000 0.000 1.232) 1.232 9.069 ( 0.000 0.000 1.098) 1.098 9.091 ( 0.000 0.000 -2.405) 2.405 9.092 ( 0.000 0.000 -1.731) 1.731 9.169 ( 0.000 0.000 -0.517) 0.517 9.175 ( 0.000 0.000 -1.112) 1.112 9.511 ( 0.000 0.000 1.927) 1.927 9.513 ( 0.000 0.000 1.636) 1.636 9.551 ( 0.000 0.000 -0.384) 0.384 9.564 ( 0.000 0.000 3.754) 3.754 9.593 ( 0.000 0.000 -1.665) 1.665 9.618 ( 0.000 0.000 2.448) 2.448 9.665 ( 0.000 0.000 -4.473) 4.473 9.669 ( 0.000 0.000 -3.059) 3.059 9.835 ( 0.000 0.000 6.055) 6.055 9.967 ( 0.000 0.000 -8.286) 8.286 9.985 ( 0.000 0.000 2.665) 2.665 10.034 ( 0.000 0.000 -2.753) 2.753 10.139 ( 0.000 0.000 0.429) 0.429 10.141 ( 0.000 0.000 0.257) 0.257 10.402 ( 0.000 0.000 8.946) 8.946 10.541 ( 0.000 0.000 2.329) 2.329 10.554 ( 0.000 0.000 -7.060) 7.060 10.554 ( 0.000 0.000 0.528) 0.528 10.986 ( 0.000 0.000 10.419) 10.419 11.178 ( 0.000 0.000 -8.841) 8.841 11.546 ( 0.000 0.000 2.650) 2.650 11.631 ( 0.000 0.000 -5.107) 5.107 11.650 ( 0.000 0.000 7.298) 7.298 11.781 ( 0.000 0.000 -6.510) 6.510 12.141 ( 0.000 0.000 13.372) 13.372 12.265 ( 0.000 0.000 8.933) 8.933 12.379 ( 0.000 0.000 -11.685) 11.685 12.408 ( 0.000 0.000 -6.038) 6.038 12.428 ( 0.000 0.000 9.746) 9.746 12.525 ( 0.000 0.000 7.335) 7.335 12.593 ( 0.000 0.000 -7.880) 7.880 12.668 ( 0.000 0.000 -7.599) 7.599 13.755 ( 0.000 0.000 1.565) 1.565 13.781 ( 0.000 0.000 2.306) 2.306 13.785 ( 0.000 0.000 -1.484) 1.484 13.825 ( 0.000 0.000 -2.302) 2.302 14.113 ( 0.000 0.000 5.387) 5.387 14.188 ( 0.000 0.000 1.691) 1.691 14.206 ( 0.000 0.000 -4.254) 4.254 14.236 ( 0.000 0.000 -3.607) 3.607 14.413 ( 0.000 0.000 1.156) 1.156 14.433 ( 0.000 0.000 -0.905) 0.905 14.516 ( 0.000 0.000 2.003) 2.003 14.567 ( 0.000 0.000 -3.079) 3.079 14.699 ( 0.000 0.000 5.977) 5.977 14.702 ( 0.000 0.000 5.815) 5.815 14.726 ( 0.000 0.000 5.422) 5.422 14.822 ( 0.000 0.000 -6.771) 6.771 14.894 ( 0.000 0.000 -6.546) 6.546 14.900 ( 0.000 0.000 -5.007) 5.007 14.993 ( 0.000 0.000 2.648) 2.648 15.074 ( 0.000 0.000 -6.119) 6.119 15.292 ( 0.000 0.000 5.282) 5.282 15.405 ( 0.000 0.000 -6.558) 6.558 15.516 ( 0.000 0.000 3.275) 3.275 15.580 ( 0.000 0.000 -3.496) 3.496 15.636 ( 0.000 0.000 2.906) 2.906 15.641 ( 0.000 0.000 4.695) 4.695 15.682 ( 0.000 0.000 -2.011) 2.011 15.695 ( 0.000 0.000 -1.182) 1.182 16.075 ( 0.000 0.000 2.368) 2.368 16.099 ( 0.000 0.000 -0.149) 0.149 16.338 ( 0.000 0.000 3.947) 3.947 16.418 ( 0.000 0.000 -4.347) 4.347 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 31.639 0.000 27.295) 41.785 1.952 ( 15.279 0.000 40.680) 43.455 2.261 ( 23.772 0.000 -27.985) 36.719 2.686 ( 9.767 0.000 -32.277) 33.723 2.800 ( 18.301 0.000 50.581) 53.790 3.651 ( 10.779 0.000 -20.385) 23.059 3.763 ( -0.387 0.000 1.242) 1.301 3.797 ( 4.117 0.000 -3.444) 5.368 3.879 ( 5.956 0.000 2.791) 6.577 3.924 ( 1.333 0.000 -2.734) 3.041 4.027 ( 3.106 0.000 -5.577) 6.383 4.029 ( 0.173 0.000 -3.269) 3.273 4.088 ( 6.039 0.000 -8.755) 10.636 4.116 ( 8.996 0.000 -1.740) 9.163 4.425 ( 10.157 0.000 9.977) 14.238 4.435 ( 8.971 0.000 6.988) 11.372 4.546 ( 4.327 0.000 -3.919) 5.838 4.615 ( 9.047 0.000 -2.822) 9.477 4.676 ( 12.275 0.000 -4.607) 13.111 4.738 ( 4.617 0.000 -5.387) 7.095 4.974 ( 3.372 0.000 6.380) 7.216 5.068 ( -0.235 0.000 -4.016) 4.023 5.319 ( 6.072 0.000 10.342) 11.993 5.390 ( 6.122 0.000 -0.324) 6.131 5.393 ( 0.602 0.000 6.998) 7.024 5.506 ( 11.318 0.000 1.504) 11.417 5.514 ( -1.199 0.000 -7.637) 7.731 5.655 ( 4.298 0.000 -9.769) 10.673 5.938 ( -0.276 0.000 16.397) 16.399 6.215 ( 3.472 0.000 4.557) 5.729 6.229 ( 4.394 0.000 -6.893) 8.174 6.323 ( -3.954 0.000 -3.219) 5.098 6.374 ( -2.699 0.000 0.224) 2.708 6.385 ( 3.285 0.000 -11.226) 11.697 6.581 ( 2.304 0.000 10.675) 10.921 6.800 ( 0.222 0.000 -11.425) 11.428 6.956 ( 1.531 0.000 1.385) 2.065 6.995 ( 1.467 0.000 -2.614) 2.997 7.295 ( -5.066 0.000 2.156) 5.506 7.301 ( -4.034 0.000 1.464) 4.291 7.390 ( 1.682 0.000 0.547) 1.769 7.394 ( 1.976 0.000 0.113) 1.979 7.683 ( -2.184 0.000 -0.562) 2.255 7.703 ( -3.220 0.000 -2.112) 3.851 8.331 ( -1.033 0.000 2.772) 2.959 8.370 ( -2.800 0.000 -0.980) 2.966 8.449 ( -0.744 0.000 -0.020) 0.744 8.467 ( -1.379 0.000 -1.419) 1.979 8.939 ( -0.724 0.000 1.582) 1.739 8.966 ( -2.769 0.000 -0.709) 2.858 9.014 ( -3.717 0.000 1.752) 4.109 9.048 ( -3.699 0.000 -2.213) 4.310 9.067 ( 0.885 0.000 0.346) 0.951 9.096 ( 0.288 0.000 -2.713) 2.729 9.223 ( 3.824 0.000 -0.040) 3.824 9.245 ( 5.634 0.000 -2.420) 6.131 9.481 ( -0.798 0.000 1.842) 2.008 9.501 ( 0.018 0.000 2.180) 2.180 9.551 ( -1.453 0.000 4.520) 4.748 9.575 ( -0.261 0.000 -1.947) 1.965 9.581 ( 0.288 0.000 -1.610) 1.636 9.648 ( -1.968 0.000 -4.124) 4.570 9.709 ( 5.553 0.000 1.766) 5.827 9.738 ( 5.996 0.000 -2.232) 6.398 9.825 ( -0.787 0.000 5.222) 5.281 9.929 ( -3.108 0.000 -5.718) 6.508 9.965 ( -1.783 0.000 2.378) 2.973 10.016 ( -1.978 0.000 -3.303) 3.850 10.129 ( -0.701 0.000 0.984) 1.209 10.145 ( 0.230 0.000 -0.367) 0.433 10.408 ( 0.335 0.000 8.566) 8.573 10.517 ( -1.597 0.000 -0.101) 1.600 10.566 ( 1.355 0.000 1.287) 1.869 10.595 ( 2.957 0.000 -3.965) 4.946 10.985 ( -0.097 0.000 8.992) 8.992 11.155 ( -2.141 0.000 -8.057) 8.337 11.513 ( -3.198 0.000 2.844) 4.280 11.594 ( -3.696 0.000 -4.756) 6.024 11.611 ( -4.050 0.000 6.741) 7.865 11.739 ( -4.075 0.000 -6.509) 7.680 12.125 ( -1.551 0.000 13.254) 13.345 12.255 ( -0.948 0.000 8.354) 8.408 12.355 ( -2.394 0.000 -10.312) 10.586 12.401 ( -0.473 0.000 -7.531) 7.546 12.412 ( -1.283 0.000 10.098) 10.179 12.508 ( -1.545 0.000 7.394) 7.554 12.584 ( -0.746 0.000 -8.211) 8.244 12.645 ( -1.909 0.000 -6.871) 7.132 13.788 ( 0.654 0.000 1.755) 1.873 13.790 ( 3.441 0.000 1.376) 3.706 13.818 ( 3.116 0.000 -1.492) 3.455 13.824 ( -0.070 0.000 -2.005) 2.006 14.066 ( -3.698 0.000 4.741) 6.012 14.137 ( -3.546 0.000 -2.348) 4.253 14.244 ( 2.314 0.000 0.527) 2.373 14.276 ( 2.904 0.000 -2.938) 4.131 14.358 ( -4.193 0.000 1.285) 4.386 14.385 ( -3.638 0.000 -1.447) 3.915 14.513 ( -1.036 0.000 1.994) 2.247 14.559 ( -1.253 0.000 -2.669) 2.949 14.670 ( -2.664 0.000 7.086) 7.570 14.705 ( 0.296 0.000 5.229) 5.237 14.731 ( 0.503 0.000 4.066) 4.097 14.823 ( -0.595 0.000 -7.142) 7.166 14.866 ( -1.986 0.000 -5.400) 5.753 14.889 ( -0.915 0.000 -4.562) 4.653 14.976 ( -1.543 0.000 2.512) 2.948 15.056 ( -1.724 0.000 -6.083) 6.323 15.279 ( -1.334 0.000 4.649) 4.837 15.374 ( -3.033 0.000 -4.679) 5.576 15.480 ( -3.932 0.000 2.215) 4.513 15.542 ( -4.167 0.000 -3.733) 5.595 15.609 ( -2.069 0.000 2.206) 3.025 15.615 ( -2.332 0.000 3.314) 4.052 15.663 ( -2.003 0.000 -0.634) 2.101 15.681 ( -1.728 0.000 -1.033) 2.014 15.974 ( -9.155 0.000 2.381) 9.460 15.994 ( -9.528 0.000 0.271) 9.532 16.236 ( -9.754 0.000 4.410) 10.704 16.324 ( -8.850 0.000 -4.797) 10.067 ======================= Grid point 92 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 26.955 0.000 25.808) 37.318 2.358 ( 23.808 0.000 30.085) 38.366 2.782 ( 25.468 0.000 -20.950) 32.977 2.940 ( 15.152 0.000 -31.225) 34.707 3.323 ( 29.871 0.000 37.207) 47.714 3.789 ( 2.317 0.000 2.091) 3.121 3.824 ( 4.732 0.000 -0.903) 4.818 3.929 ( -4.018 0.000 6.645) 7.765 3.939 ( 6.684 0.000 -9.705) 11.784 3.954 ( -0.644 0.000 -0.402) 0.759 4.028 ( 2.327 0.000 -5.667) 6.126 4.107 ( 5.265 0.000 -26.807) 27.319 4.191 ( 5.482 0.000 5.665) 7.883 4.301 ( 5.997 0.000 -5.371) 8.051 4.533 ( 1.334 0.000 11.825) 11.900 4.602 ( 5.717 0.000 2.943) 6.430 4.645 ( 5.588 0.000 3.086) 6.383 4.725 ( 4.071 0.000 4.864) 6.343 4.831 ( 3.561 0.000 -4.057) 5.398 4.881 ( 4.946 0.000 -17.120) 17.820 5.054 ( 3.127 0.000 7.068) 7.729 5.193 ( 8.230 0.000 -7.985) 11.466 5.353 ( -1.581 0.000 11.336) 11.446 5.442 ( 0.768 0.000 -0.118) 0.777 5.627 ( 15.847 0.000 5.365) 16.730 5.745 ( 24.201 0.000 -2.159) 24.297 5.787 ( 8.320 0.000 -4.998) 9.706 5.793 ( 18.760 0.000 -0.005) 18.760 6.021 ( 3.370 0.000 11.144) 11.643 6.222 ( -4.046 0.000 -4.456) 6.019 6.231 ( 6.326 0.000 2.488) 6.798 6.377 ( 9.979 0.000 -14.489) 17.593 6.465 ( 10.684 0.000 1.734) 10.824 6.502 ( 8.607 0.000 -3.814) 9.414 6.634 ( 3.190 0.000 8.076) 8.683 6.808 ( 0.565 0.000 -8.324) 8.344 6.985 ( 0.468 0.000 -0.100) 0.478 7.006 ( -1.160 0.000 -0.753) 1.383 7.202 ( -4.884 0.000 1.524) 5.116 7.203 ( -3.245 0.000 1.137) 3.438 7.475 ( 6.393 0.000 0.583) 6.419 7.476 ( 7.431 0.000 0.381) 7.441 7.623 ( -3.654 0.000 -0.212) 3.660 7.639 ( -1.194 0.000 -2.356) 2.641 8.301 ( -2.451 0.000 2.146) 3.258 8.314 ( -2.634 0.000 1.446) 3.005 8.405 ( -4.255 0.000 0.009) 4.255 8.443 ( -1.289 0.000 -3.285) 3.529 8.894 ( -4.086 0.000 1.217) 4.263 8.906 ( -2.320 0.000 -0.034) 2.320 8.941 ( -3.649 0.000 1.201) 3.842 8.956 ( -5.244 0.000 -1.399) 5.428 9.095 ( 1.844 0.000 -1.249) 2.227 9.096 ( -0.470 0.000 -1.428) 1.503 9.286 ( 1.778 0.000 1.523) 2.341 9.328 ( 0.566 0.000 -2.335) 2.403 9.483 ( 0.773 0.000 3.035) 3.131 9.507 ( -1.209 0.000 2.603) 2.870 9.538 ( 2.977 0.000 2.480) 3.875 9.560 ( -3.091 0.000 -2.408) 3.918 9.583 ( 1.049 0.000 -4.471) 4.592 9.614 ( 0.218 0.000 -2.883) 2.891 9.800 ( 3.655 0.000 2.823) 4.618 9.816 ( 0.205 0.000 3.196) 3.203 9.846 ( 4.367 0.000 -2.441) 5.002 9.872 ( -1.929 0.000 -2.694) 3.313 9.926 ( -1.593 0.000 1.929) 2.502 9.968 ( -2.152 0.000 -2.584) 3.363 10.100 ( -2.726 0.000 1.241) 2.995 10.127 ( -2.956 0.000 -1.319) 3.237 10.405 ( -0.925 0.000 6.349) 6.416 10.475 ( -2.951 0.000 -0.644) 3.020 10.623 ( 4.553 0.000 3.454) 5.715 10.662 ( 3.746 0.000 0.007) 3.746 10.995 ( 1.810 0.000 3.618) 4.046 11.099 ( -3.216 0.000 -5.830) 6.658 11.422 ( -5.773 0.000 2.485) 6.285 11.478 ( -8.141 0.000 -3.351) 8.804 11.482 ( -8.531 0.000 6.499) 10.725 11.622 ( -7.204 0.000 -7.350) 10.292 12.085 ( -1.927 0.000 12.454) 12.602 12.228 ( -1.782 0.000 8.281) 8.470 12.299 ( -2.482 0.000 -9.805) 10.114 12.389 ( -0.806 0.000 -8.780) 8.817 12.390 ( -0.652 0.000 10.312) 10.332 12.473 ( -1.703 0.000 7.415) 7.608 12.568 ( -0.851 0.000 -8.566) 8.609 12.604 ( -1.889 0.000 -6.338) 6.613 13.806 ( 1.138 0.000 0.743) 1.359 13.825 ( 0.279 0.000 -1.266) 1.296 13.888 ( 6.125 0.000 0.741) 6.170 13.903 ( 5.245 0.000 -0.838) 5.311 13.987 ( -3.830 0.000 4.119) 5.624 14.054 ( -4.527 0.000 -2.766) 5.305 14.291 ( -0.982 0.000 -0.287) 1.023 14.294 ( -1.130 0.000 -0.753) 1.358 14.298 ( 2.509 0.000 3.927) 4.660 14.370 ( 3.102 0.000 -3.800) 4.905 14.459 ( -4.350 0.000 2.140) 4.848 14.504 ( -4.238 0.000 -2.492) 4.917 14.600 ( -3.961 0.000 7.640) 8.606 14.716 ( 0.899 0.000 3.792) 3.897 14.743 ( -0.454 0.000 -2.683) 2.721 14.766 ( -2.930 0.000 -3.661) 4.689 14.857 ( 0.381 0.000 -3.022) 3.046 14.868 ( -1.304 0.000 -2.397) 2.729 14.940 ( -1.703 0.000 1.950) 2.589 15.014 ( -1.960 0.000 -5.564) 5.900 15.240 ( -2.725 0.000 2.866) 3.954 15.260 ( -10.317 0.000 1.516) 10.428 15.367 ( -5.670 0.000 -2.888) 6.363 15.380 ( -12.680 0.000 -3.866) 13.256 15.551 ( -4.066 0.000 3.632) 5.452 15.560 ( -3.236 0.000 1.971) 3.789 15.600 ( -4.176 0.000 -0.999) 4.294 15.602 ( -6.283 0.000 -0.913) 6.349 15.790 ( -6.293 0.000 1.428) 6.453 15.793 ( -7.868 0.000 1.204) 7.959 15.980 ( -14.224 0.000 5.970) 15.426 16.095 ( -12.631 0.000 -6.030) 13.996 ======================= Grid point 93 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 22.463 0.000 24.178) 33.003 2.866 ( 25.739 0.000 19.285) 32.162 3.241 ( 19.411 0.000 -17.333) 26.023 3.256 ( 14.058 0.000 -19.812) 24.293 3.689 ( -6.574 0.000 13.269) 14.808 3.814 ( -12.589 0.000 3.655) 13.109 3.826 ( 4.413 0.000 8.043) 9.174 3.890 ( -3.665 0.000 -7.174) 8.056 3.911 ( 8.177 0.000 4.351) 9.262 3.950 ( 1.281 0.000 1.083) 1.678 4.052 ( -0.331 0.000 -5.573) 5.582 4.112 ( -2.839 0.000 -5.505) 6.194 4.338 ( 2.099 0.000 -0.180) 2.106 4.419 ( 12.086 0.000 -8.523) 14.789 4.550 ( -0.320 0.000 7.762) 7.768 4.644 ( -0.767 0.000 1.240) 1.458 4.761 ( 5.366 0.000 4.733) 7.155 4.820 ( 6.318 0.000 -2.583) 6.826 4.868 ( 0.284 0.000 -1.786) 1.808 4.970 ( 2.534 0.000 -15.293) 15.502 5.138 ( 5.055 0.000 7.575) 9.107 5.307 ( -2.934 0.000 10.145) 10.561 5.308 ( 4.486 0.000 -10.765) 11.663 5.434 ( -1.591 0.000 -3.857) 4.172 5.762 ( 3.143 0.000 11.441) 11.865 5.919 ( -5.732 0.000 8.231) 10.030 5.924 ( 4.873 0.000 -5.264) 7.173 6.038 ( -0.973 0.000 -4.036) 4.152 6.341 ( 22.139 0.000 1.369) 22.182 6.425 ( 22.382 0.000 -6.957) 23.439 6.481 ( 12.826 0.000 2.726) 13.113 6.562 ( 8.446 0.000 -7.031) 10.990 6.681 ( 5.490 0.000 3.611) 6.571 6.747 ( 8.159 0.000 2.139) 8.435 6.748 ( 13.291 0.000 -2.255) 13.481 6.817 ( 0.011 0.000 -3.095) 3.095 6.951 ( -2.719 0.000 -3.499) 4.431 6.959 ( -0.809 0.000 -1.224) 1.467 7.122 ( -3.664 0.000 1.822) 4.092 7.149 ( -3.125 0.000 -1.403) 3.425 7.614 ( 5.805 0.000 1.555) 6.009 7.633 ( 8.334 0.000 0.092) 8.335 7.734 ( 13.584 0.000 -1.002) 13.621 7.740 ( 18.320 0.000 -0.797) 18.337 8.181 ( -10.844 0.000 2.423) 11.112 8.227 ( -10.416 0.000 -2.282) 10.663 8.262 ( -7.405 0.000 6.322) 9.736 8.391 ( -5.285 0.000 -7.209) 8.938 8.818 ( -2.999 0.000 1.557) 3.379 8.837 ( -4.506 0.000 -0.555) 4.540 8.861 ( -4.144 0.000 1.137) 4.297 8.868 ( -2.701 0.000 -0.219) 2.710 9.080 ( -0.326 0.000 2.215) 2.239 9.138 ( 2.480 0.000 -3.963) 4.675 9.255 ( -6.387 0.000 1.855) 6.650 9.277 ( -2.653 0.000 -0.651) 2.732 9.496 ( -1.430 0.000 0.424) 1.491 9.500 ( -0.118 0.000 2.520) 2.523 9.508 ( 1.488 0.000 -1.514) 2.123 9.590 ( -0.371 0.000 -4.812) 4.826 9.631 ( 4.772 0.000 0.865) 4.850 9.654 ( 3.634 0.000 -0.968) 3.761 9.817 ( -2.030 0.000 1.960) 2.822 9.822 ( -0.359 0.000 1.547) 1.588 9.884 ( -0.431 0.000 1.961) 2.008 9.915 ( 3.307 0.000 -1.508) 3.635 9.953 ( 1.891 0.000 -0.569) 1.975 9.970 ( 3.107 0.000 -2.250) 3.836 10.027 ( -2.076 0.000 0.150) 2.081 10.027 ( -2.499 0.000 0.070) 2.500 10.351 ( -5.132 0.000 2.375) 5.655 10.373 ( -7.584 0.000 -0.171) 7.586 10.749 ( 7.841 0.000 5.322) 9.476 10.764 ( 7.139 0.000 4.089) 8.227 11.036 ( -3.175 0.000 -0.176) 3.180 11.072 ( 4.799 0.000 -5.062) 6.975 11.267 ( -11.185 0.000 -0.273) 11.188 11.275 ( -8.359 0.000 -0.965) 8.415 11.308 ( -7.273 0.000 6.784) 9.946 11.462 ( -8.657 0.000 -8.128) 11.874 12.070 ( 0.717 0.000 11.483) 11.505 12.179 ( -3.112 0.000 9.504) 10.000 12.276 ( 0.495 0.000 -10.223) 10.235 12.362 ( -1.992 0.000 -9.758) 9.959 12.391 ( 0.756 0.000 9.168) 9.199 12.443 ( -1.349 0.000 7.483) 7.603 12.553 ( -0.441 0.000 -7.864) 7.877 12.574 ( -1.131 0.000 -6.341) 6.441 13.835 ( 1.920 0.000 -0.013) 1.920 13.837 ( 1.015 0.000 -0.239) 1.043 13.918 ( -3.022 0.000 2.742) 4.081 13.960 ( -4.051 0.000 -1.724) 4.402 14.030 ( 6.751 0.000 0.013) 6.751 14.031 ( 7.883 0.000 -0.147) 7.885 14.304 ( 0.218 0.000 0.371) 0.430 14.312 ( -0.669 0.000 -0.146) 0.685 14.354 ( 1.015 0.000 4.541) 4.653 14.371 ( 2.038 0.000 2.452) 3.188 14.415 ( -1.424 0.000 -2.991) 3.313 14.451 ( 4.574 0.000 -4.812) 6.639 14.519 ( -3.906 0.000 7.020) 8.034 14.657 ( -5.127 0.000 -7.366) 8.974 14.742 ( 1.431 0.000 2.320) 2.726 14.777 ( 0.175 0.000 -0.731) 0.752 14.817 ( -4.982 0.000 -0.318) 4.992 14.846 ( -2.194 0.000 -3.376) 4.026 14.931 ( -0.342 0.000 2.558) 2.581 14.950 ( -14.621 0.000 1.506) 14.699 15.016 ( 0.630 0.000 -2.679) 2.752 15.029 ( -13.824 0.000 -3.469) 14.253 15.206 ( -4.298 0.000 2.933) 5.204 15.259 ( -6.562 0.000 -2.246) 6.936 15.464 ( -3.692 0.000 0.854) 3.790 15.465 ( -4.021 0.000 2.422) 4.694 15.490 ( -6.419 0.000 0.201) 6.422 15.507 ( -3.547 0.000 -0.367) 3.566 15.701 ( -2.242 0.000 2.114) 3.081 15.734 ( -0.406 0.000 -1.538) 1.591 15.748 ( -6.947 0.000 6.429) 9.465 15.872 ( -8.550 0.000 -6.413) 10.688 ======================= Grid point 94 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -15.824 0.000 15.163) 21.916 3.246 ( 15.824 0.000 15.163) 21.916 3.340 ( -17.911 0.000 4.937) 18.579 3.340 ( 17.911 0.000 4.937) 18.579 3.694 ( -10.173 0.000 -5.522) 11.575 3.694 ( 10.173 0.000 -5.522) 11.575 3.709 ( -10.769 0.000 -6.458) 12.557 3.709 ( 10.769 0.000 -6.458) 12.557 4.028 ( -2.886 0.000 -1.838) 3.421 4.028 ( 2.886 0.000 -1.838) 3.421 4.037 ( -4.545 0.000 -2.783) 5.330 4.037 ( 4.545 0.000 -2.783) 5.330 4.476 ( -7.477 0.000 8.025) 10.968 4.476 ( 7.477 0.000 8.025) 10.968 4.589 ( -5.042 0.000 -0.281) 5.050 4.589 ( 5.042 0.000 -0.281) 5.050 4.843 ( -2.745 0.000 1.855) 3.313 4.843 ( 2.745 0.000 1.855) 3.313 4.947 ( -4.767 0.000 -11.399) 12.356 4.947 ( 4.767 0.000 -11.399) 12.356 5.234 ( -4.264 0.000 8.117) 9.169 5.234 ( 4.264 0.000 8.117) 9.169 5.385 ( -3.216 0.000 -8.229) 8.835 5.385 ( 3.216 0.000 -8.229) 8.835 5.824 ( -3.549 0.000 10.923) 11.485 5.824 ( 3.549 0.000 10.923) 11.485 5.993 ( -2.554 0.000 -6.364) 6.858 5.993 ( 2.554 0.000 -6.364) 6.858 6.595 ( -4.524 0.000 3.410) 5.665 6.595 ( 4.524 0.000 3.410) 5.665 6.659 ( -3.847 0.000 -3.792) 5.401 6.659 ( 3.847 0.000 -3.792) 5.401 6.758 ( -2.995 0.000 2.392) 3.833 6.758 ( 2.995 0.000 2.392) 3.833 6.846 ( -3.708 0.000 -6.706) 7.663 6.846 ( 3.708 0.000 -6.706) 7.663 7.017 ( -7.463 0.000 1.739) 7.663 7.017 ( 7.463 0.000 1.739) 7.663 7.058 ( -6.242 0.000 -2.492) 6.721 7.058 ( 6.242 0.000 -2.492) 6.721 7.872 ( -17.551 0.000 1.995) 17.664 7.872 ( 17.551 0.000 1.995) 17.664 7.905 ( -17.871 0.000 -1.248) 17.915 7.905 ( 17.871 0.000 -1.248) 17.915 8.059 ( -14.770 0.000 4.202) 15.356 8.059 ( 14.770 0.000 4.202) 15.356 8.151 ( -18.725 0.000 -5.187) 19.430 8.151 ( 18.725 0.000 -5.187) 19.430 8.797 ( -1.387 0.000 1.422) 1.986 8.797 ( 1.387 0.000 1.422) 1.986 8.812 ( -2.093 0.000 -0.495) 2.150 8.812 ( 2.093 0.000 -0.495) 2.150 9.127 ( -5.143 0.000 3.624) 6.291 9.127 ( 5.143 0.000 3.624) 6.291 9.202 ( -3.927 0.000 -4.456) 5.939 9.202 ( 3.927 0.000 -4.456) 5.939 9.491 ( -0.734 0.000 2.349) 2.461 9.491 ( 0.734 0.000 2.349) 2.461 9.553 ( -2.588 0.000 -3.832) 4.624 9.553 ( 2.588 0.000 -3.832) 4.624 9.742 ( -5.476 0.000 1.822) 5.772 9.742 ( 5.476 0.000 1.822) 5.772 9.761 ( -5.958 0.000 -0.282) 5.964 9.761 ( 5.958 0.000 -0.282) 5.964 9.892 ( -2.086 0.000 2.449) 3.217 9.892 ( 2.086 0.000 2.449) 3.217 9.930 ( -1.179 0.000 -1.866) 2.208 9.930 ( 1.179 0.000 -1.866) 2.208 10.178 ( -11.010 0.000 0.734) 11.034 10.178 ( 11.010 0.000 0.734) 11.034 10.191 ( -10.100 0.000 -0.702) 10.125 10.191 ( 10.100 0.000 -0.702) 10.125 10.922 ( -8.453 0.000 5.983) 10.356 10.922 ( 8.453 0.000 5.983) 10.356 10.960 ( -11.777 0.000 1.060) 11.824 10.960 ( 11.777 0.000 1.060) 11.824 11.202 ( -2.218 0.000 0.547) 2.284 11.202 ( 2.218 0.000 0.547) 2.284 11.280 ( -8.766 0.000 -6.748) 11.062 11.280 ( 8.766 0.000 -6.748) 11.062 12.112 ( -3.139 0.000 10.647) 11.100 12.112 ( 3.139 0.000 10.647) 11.100 12.312 ( -2.627 0.000 -10.409) 10.735 12.312 ( 2.627 0.000 -10.409) 10.735 12.415 ( -1.417 0.000 7.987) 8.112 12.415 ( 1.417 0.000 7.987) 8.112 12.556 ( -0.662 0.000 -6.808) 6.840 12.556 ( 0.662 0.000 -6.808) 6.840 13.867 ( -1.972 0.000 1.107) 2.262 13.867 ( 1.972 0.000 1.107) 2.262 13.886 ( -3.128 0.000 -0.821) 3.234 13.886 ( 3.128 0.000 -0.821) 3.234 14.180 ( -7.800 0.000 1.028) 7.868 14.180 ( 7.800 0.000 1.028) 7.868 14.195 ( -8.048 0.000 -0.601) 8.071 14.195 ( 8.048 0.000 -0.601) 8.071 14.432 ( -3.390 0.000 6.027) 6.915 14.432 ( 3.390 0.000 6.027) 6.915 14.531 ( -3.784 0.000 -4.249) 5.690 14.531 ( 3.784 0.000 -4.249) 5.690 14.560 ( -13.662 0.000 0.642) 13.677 14.560 ( 13.662 0.000 0.642) 13.677 14.603 ( -9.805 0.000 -3.980) 10.582 14.603 ( 9.805 0.000 -3.980) 10.582 14.797 ( -3.200 0.000 1.603) 3.579 14.797 ( 3.200 0.000 1.603) 3.579 14.839 ( -2.137 0.000 -2.760) 3.490 14.839 ( 2.137 0.000 -2.760) 3.490 15.073 ( -7.840 0.000 2.246) 8.156 15.073 ( 7.840 0.000 2.246) 8.156 15.108 ( -7.063 0.000 -1.371) 7.195 15.108 ( 7.063 0.000 -1.371) 7.195 15.418 ( -0.581 0.000 2.662) 2.725 15.418 ( 0.581 0.000 2.662) 2.725 15.450 ( -1.665 0.000 -0.818) 1.855 15.450 ( 1.665 0.000 -0.818) 1.855 15.684 ( -0.629 0.000 3.612) 3.667 15.684 ( 0.629 0.000 3.612) 3.667 15.759 ( -3.039 0.000 -4.230) 5.208 15.759 ( 3.039 0.000 -4.230) 5.208 ======================= Grid point 99 (36/45) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 21.891 27.915) 35.475 1.832 ( 0.000 8.925 40.541) 41.512 2.137 ( 0.000 13.355 -29.289) 32.190 2.579 ( 0.000 0.621 -39.068) 39.073 2.968 ( 0.000 25.845 48.503) 54.959 3.487 ( 0.000 -13.171 -5.720) 14.360 3.507 ( 0.000 -21.161 3.306) 21.418 3.540 ( 0.000 -22.368 3.838) 22.695 3.561 ( 0.000 -18.004 -2.519) 18.179 3.781 ( 0.000 -1.157 -10.283) 10.348 3.912 ( 0.000 4.096 2.867) 4.999 3.952 ( 0.000 -1.430 8.118) 8.243 4.058 ( 0.000 0.321 -4.678) 4.689 4.158 ( 0.000 9.907 -26.011) 27.834 4.284 ( 0.000 -0.349 8.542) 8.549 4.465 ( 0.000 7.822 4.572) 9.060 4.476 ( 0.000 -0.675 -8.768) 8.794 4.555 ( 0.000 6.706 -4.494) 8.073 4.708 ( 0.000 3.790 0.452) 3.817 4.741 ( 0.000 1.157 -1.675) 2.036 5.019 ( 0.000 5.397 7.257) 9.044 5.117 ( 0.000 0.789 -2.159) 2.299 5.220 ( 0.000 -0.036 4.579) 4.579 5.268 ( 0.000 -3.951 0.314) 3.964 5.401 ( 0.000 1.346 9.973) 10.063 5.405 ( 0.000 0.302 3.563) 3.576 5.549 ( 0.000 -3.222 -9.252) 9.797 5.576 ( 0.000 -0.641 -7.879) 7.905 6.019 ( 0.000 4.392 13.059) 13.778 6.162 ( 0.000 -0.151 1.236) 1.245 6.179 ( 0.000 1.171 -1.184) 1.665 6.355 ( 0.000 -0.896 7.323) 7.377 6.363 ( 0.000 1.477 -22.447) 22.495 6.466 ( 0.000 -6.453 12.431) 14.006 6.491 ( 0.000 3.245 -5.963) 6.789 6.703 ( 0.000 -7.086 -12.354) 14.242 6.939 ( 0.000 0.131 1.980) 1.984 6.978 ( 0.000 0.309 -2.566) 2.584 7.241 ( 0.000 -8.313 2.285) 8.621 7.272 ( 0.000 -8.004 -1.004) 8.066 7.391 ( 0.000 3.178 3.173) 4.491 7.445 ( 0.000 5.343 -2.612) 5.947 7.684 ( 0.000 -2.293 1.173) 2.575 7.716 ( 0.000 -1.981 -1.888) 2.737 8.334 ( 0.000 -0.352 3.626) 3.643 8.402 ( 0.000 -0.140 -3.523) 3.526 8.438 ( 0.000 -1.568 2.708) 3.129 8.484 ( 0.000 -1.243 -2.046) 2.394 8.910 ( 0.000 -7.608 1.511) 7.756 8.924 ( 0.000 -1.695 3.724) 4.092 8.951 ( 0.000 -2.413 -2.966) 3.823 9.001 ( 0.000 1.009 -3.713) 3.847 9.099 ( 0.000 4.190 3.906) 5.729 9.170 ( 0.000 4.389 -3.223) 5.445 9.217 ( 0.000 3.007 -0.264) 3.018 9.224 ( 0.000 3.519 -1.147) 3.701 9.467 ( 0.000 -3.186 2.038) 3.782 9.527 ( 0.000 -3.350 -4.121) 5.311 9.555 ( 0.000 -0.828 5.708) 5.768 9.643 ( 0.000 -3.130 -1.958) 3.692 9.660 ( 0.000 3.406 1.155) 3.596 9.693 ( 0.000 1.550 -2.157) 2.656 9.737 ( 0.000 5.478 1.916) 5.803 9.770 ( 0.000 7.351 -2.359) 7.721 9.886 ( 0.000 6.506 4.949) 8.174 9.984 ( 0.000 0.267 -4.596) 4.604 9.986 ( 0.000 -0.161 2.300) 2.306 10.025 ( 0.000 -0.967 -1.757) 2.005 10.120 ( 0.000 6.351 -0.595) 6.379 10.140 ( 0.000 3.216 -1.481) 3.541 10.402 ( 0.000 0.137 8.114) 8.115 10.521 ( 0.000 -1.522 3.666) 3.969 10.540 ( 0.000 -1.077 -6.355) 6.446 10.568 ( 0.000 0.080 -0.993) 0.996 10.908 ( 0.000 -6.869 11.016) 12.982 11.120 ( 0.000 -6.176 -11.299) 12.877 11.531 ( 0.000 -0.173 6.252) 6.255 11.643 ( 0.000 -0.641 6.459) 6.491 11.659 ( 0.000 1.914 -7.070) 7.324 11.769 ( 0.000 -0.997 -6.751) 6.824 12.143 ( 0.000 0.190 11.166) 11.167 12.234 ( 0.000 -2.347 7.761) 8.108 12.315 ( 0.000 -3.444 -5.772) 6.721 12.326 ( 0.000 -3.617 -0.229) 3.624 12.513 ( 0.000 4.200 3.629) 5.551 12.597 ( 0.000 4.021 1.868) 4.434 12.625 ( 0.000 2.396 -6.712) 7.127 12.676 ( 0.000 0.553 -5.097) 5.127 13.764 ( 0.000 0.823 1.599) 1.798 13.795 ( 0.000 0.972 1.570) 1.847 13.796 ( 0.000 0.918 -1.680) 1.914 13.828 ( 0.000 0.147 -1.804) 1.810 14.147 ( 0.000 3.006 3.971) 4.981 14.216 ( 0.000 2.452 1.284) 2.768 14.223 ( 0.000 1.245 -3.830) 4.027 14.246 ( 0.000 0.604 -1.795) 1.894 14.416 ( 0.000 1.208 0.899) 1.506 14.439 ( 0.000 0.674 -1.230) 1.402 14.543 ( 0.000 2.032 1.922) 2.797 14.580 ( 0.000 1.024 -1.669) 1.958 14.665 ( 0.000 -2.745 4.944) 5.656 14.671 ( 0.000 -1.147 6.218) 6.323 14.773 ( 0.000 -4.208 -6.173) 7.471 14.780 ( 0.000 2.329 -0.875) 2.488 14.841 ( 0.000 -2.050 -0.792) 2.198 14.915 ( 0.000 0.164 -4.352) 4.355 14.987 ( 0.000 -0.744 2.591) 2.695 15.061 ( 0.000 -1.468 -5.483) 5.676 15.323 ( 0.000 2.576 3.896) 4.671 15.416 ( 0.000 0.957 -5.667) 5.747 15.496 ( 0.000 -1.547 3.278) 3.625 15.541 ( 0.000 -2.664 -1.264) 2.949 15.619 ( 0.000 -1.716 4.705) 5.008 15.640 ( 0.000 -0.576 0.479) 0.749 15.661 ( 0.000 -1.770 -1.299) 2.196 15.677 ( 0.000 -1.412 -1.472) 2.040 16.092 ( 0.000 1.820 3.321) 3.787 16.141 ( 0.000 3.569 -1.927) 4.056 16.311 ( 0.000 -2.402 4.285) 4.913 16.396 ( 0.000 -1.985 -4.574) 4.986 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 23.912 11.841 28.643) 39.147 2.008 ( 18.734 13.040 31.574) 38.960 2.396 ( 22.278 11.788 -24.848) 35.394 2.677 ( 9.419 0.752 -36.574) 37.775 3.125 ( 15.514 23.203 43.571) 51.745 3.478 ( 2.042 -19.562 -0.101) 19.668 3.511 ( 2.234 -17.528 -0.886) 17.692 3.675 ( 9.011 -17.547 3.791) 20.086 3.712 ( 11.506 -11.307 -3.849) 16.585 3.893 ( 7.152 -2.194 -13.873) 15.762 3.959 ( 3.933 2.973 4.448) 6.640 4.033 ( 8.376 -0.228 8.152) 11.690 4.126 ( 5.706 4.439 -12.480) 14.422 4.199 ( 3.759 6.297 -15.259) 16.930 4.358 ( 7.056 -1.472 12.483) 14.414 4.504 ( 3.380 2.863 4.071) 6.016 4.547 ( 4.475 0.899 -1.414) 4.779 4.689 ( 10.756 2.375 -12.186) 16.426 4.726 ( 0.863 2.254 0.599) 2.486 4.771 ( 3.735 0.917 -3.752) 5.372 5.080 ( 6.978 6.369 4.221) 10.348 5.103 ( -0.243 2.279 1.697) 2.851 5.268 ( 1.448 -3.680 8.437) 9.318 5.337 ( 6.587 -3.777 -0.345) 7.601 5.423 ( 4.832 3.978 4.564) 7.746 5.508 ( 7.717 1.046 -1.783) 7.989 5.555 ( 4.578 0.794 -5.236) 7.000 5.619 ( 6.669 -1.994 -8.213) 10.766 5.981 ( -1.389 4.058 13.514) 14.178 6.187 ( 1.862 -2.196 -0.374) 2.903 6.227 ( 3.303 0.731 1.103) 3.559 6.326 ( -1.364 0.905 -1.259) 2.066 6.406 ( 3.459 1.330 -13.641) 14.136 6.448 ( -2.648 3.841 -3.335) 5.734 6.502 ( 2.608 -5.964 9.540) 11.549 6.721 ( 1.439 -6.421 -11.287) 13.064 6.949 ( 0.862 -0.277 2.454) 2.616 6.993 ( 1.193 0.001 -2.479) 2.751 7.206 ( -3.217 -6.839 2.112) 7.848 7.237 ( -3.126 -6.469 -0.981) 7.252 7.394 ( 1.138 2.693 3.830) 4.818 7.454 ( 1.244 4.407 -2.582) 5.257 7.659 ( -2.439 -2.353 0.948) 3.519 7.688 ( -2.639 -1.512 -1.936) 3.606 8.327 ( -0.625 -0.006 3.170) 3.231 8.371 ( -2.138 0.170 -0.768) 2.278 8.448 ( -0.024 -0.157 0.564) 0.586 8.476 ( -0.430 -0.511 -1.787) 1.908 8.892 ( -0.826 -5.033 3.685) 6.292 8.947 ( 0.454 -4.136 -1.181) 4.325 8.970 ( 1.745 -0.782 -1.144) 2.228 8.996 ( -0.764 1.545 -2.939) 3.407 9.081 ( -1.368 3.484 2.893) 4.731 9.139 ( -1.962 3.708 -2.856) 5.075 9.244 ( 1.761 2.878 -0.107) 3.376 9.258 ( 3.258 2.142 -1.301) 4.110 9.440 ( -2.459 -2.963 2.143) 4.407 9.508 ( -1.730 -3.625 -4.621) 6.122 9.543 ( -1.146 -0.884 5.084) 5.286 9.615 ( -1.792 -2.318 -1.199) 3.166 9.658 ( -0.281 5.436 1.140) 5.561 9.690 ( 0.358 1.869 -1.819) 2.633 9.760 ( 0.879 2.945 1.943) 3.636 9.804 ( 1.945 2.637 -2.647) 4.212 9.888 ( 0.592 4.489 3.725) 5.863 9.949 ( -1.286 2.762 -0.127) 3.049 9.973 ( -2.402 0.406 -2.343) 3.380 9.992 ( -2.533 -1.054 -1.582) 3.166 10.139 ( 1.117 5.175 0.764) 5.349 10.160 ( 1.618 3.636 -0.916) 4.084 10.407 ( -0.017 0.617 7.138) 7.165 10.515 ( -1.569 -0.400 -0.684) 1.758 10.531 ( 0.736 -2.334 1.560) 2.902 10.595 ( 2.555 -0.686 -3.062) 4.047 10.901 ( -0.530 -7.165 10.151) 12.436 11.099 ( -2.041 -6.193 -10.701) 12.532 11.497 ( -3.247 -0.090 6.091) 6.903 11.601 ( -4.289 -0.242 3.800) 5.735 11.624 ( -3.478 1.459 -4.374) 5.775 11.731 ( -3.844 -0.783 -6.868) 7.909 12.129 ( -1.319 0.404 11.211) 11.295 12.227 ( -0.597 -2.068 6.942) 7.268 12.303 ( -1.317 -2.972 -4.274) 5.370 12.322 ( -0.279 -3.612 -0.906) 3.734 12.491 ( -1.980 3.910 3.659) 5.710 12.568 ( -2.469 3.567 0.966) 4.444 12.615 ( -1.015 2.231 -6.331) 6.788 12.652 ( -2.077 0.498 -4.936) 5.379 13.782 ( 1.596 0.396 2.039) 2.619 13.817 ( 2.414 0.899 0.320) 2.595 13.826 ( 0.905 0.450 -2.087) 2.319 13.831 ( 2.120 0.999 -0.880) 2.503 14.104 ( -3.297 3.398 3.581) 5.936 14.166 ( -3.081 2.404 -2.720) 4.762 14.263 ( 2.332 1.576 0.669) 2.893 14.281 ( 2.238 0.179 -0.808) 2.386 14.392 ( -2.130 2.904 0.395) 3.623 14.412 ( -2.210 2.356 -1.444) 3.539 14.516 ( -2.317 0.790 2.250) 3.325 14.558 ( -2.064 0.092 -2.012) 2.884 14.648 ( -2.144 -1.749 6.315) 6.895 14.666 ( -0.093 -2.660 4.763) 5.456 14.755 ( -1.121 -1.138 -2.075) 2.619 14.782 ( -1.090 -2.497 -7.161) 7.662 14.832 ( -0.258 -0.691 1.004) 1.245 14.900 ( -1.251 0.396 -3.618) 3.849 14.969 ( -1.668 -0.824 2.475) 3.096 15.041 ( -1.800 -1.539 -5.441) 5.934 15.310 ( -1.351 2.580 3.405) 4.480 15.385 ( -2.929 0.994 -3.777) 4.882 15.466 ( -3.385 -1.054 2.461) 4.316 15.515 ( -2.856 -2.112 -2.067) 4.110 15.590 ( -2.485 -1.071 2.985) 4.028 15.616 ( -2.356 -1.072 -0.116) 2.591 15.637 ( -1.896 -1.320 0.776) 2.437 15.673 ( -0.886 -1.382 -1.501) 2.224 15.985 ( -9.893 1.516 3.606) 10.638 16.036 ( -9.724 3.517 -1.863) 10.507 16.207 ( -9.890 -2.534 4.740) 11.256 16.301 ( -9.021 -2.147 -5.000) 10.535 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 23.405 3.623 28.846) 37.324 2.513 ( 24.660 14.036 22.318) 36.100 2.876 ( 22.072 6.946 -20.382) 30.836 2.939 ( 16.682 2.622 -28.285) 32.942 3.516 ( 14.449 -4.880 13.133) 20.126 3.561 ( 5.991 -15.368 1.046) 16.528 3.626 ( 13.638 4.736 13.479) 19.752 3.807 ( 3.202 -13.068 3.779) 13.975 3.865 ( -0.950 -6.820 1.172) 6.985 4.024 ( 6.580 3.678 -0.664) 7.568 4.043 ( 5.351 2.686 -2.108) 6.348 4.199 ( 3.452 7.571 -19.943) 21.609 4.275 ( 9.598 2.549 -0.994) 9.981 4.295 ( 5.476 -0.362 -1.350) 5.652 4.517 ( 4.900 -3.118 16.410) 17.408 4.539 ( 2.004 -2.007 6.867) 7.430 4.625 ( 3.435 -0.393 -3.756) 5.105 4.745 ( 1.667 -0.089 1.292) 2.111 4.813 ( 1.004 -0.591 -5.062) 5.194 4.874 ( 6.007 -0.924 -18.737) 19.698 5.112 ( 0.370 2.631 6.996) 7.483 5.201 ( 0.395 -1.447 2.048) 2.538 5.285 ( 2.548 -2.274 1.541) 3.747 5.381 ( -1.637 -5.749 -4.623) 7.557 5.728 ( 18.628 7.438 4.728) 20.608 5.781 ( 20.141 3.048 -2.262) 20.495 5.802 ( 17.755 3.295 0.984) 18.085 5.860 ( 16.257 5.452 -3.738) 17.550 6.065 ( 8.211 3.009 10.190) 13.428 6.214 ( 3.336 -0.142 5.008) 6.019 6.295 ( 1.099 3.666 -4.014) 5.546 6.342 ( 9.116 -2.211 -11.926) 15.173 6.474 ( 6.677 0.617 -0.966) 6.775 6.498 ( 5.225 -1.009 -5.290) 7.504 6.567 ( 4.183 -5.393 8.469) 10.877 6.755 ( 2.037 -5.282 -9.259) 10.853 6.955 ( -1.102 -1.796 3.205) 3.836 7.007 ( -0.425 0.102 -2.746) 2.780 7.133 ( -3.219 -4.273 2.699) 5.992 7.180 ( -2.015 -2.900 -2.023) 4.069 7.463 ( 6.212 0.493 3.366) 7.083 7.513 ( 5.208 2.180 -1.884) 5.952 7.598 ( -2.580 -1.942 1.002) 3.381 7.633 ( -1.621 -0.750 -2.724) 3.257 8.306 ( -1.705 0.658 2.660) 3.227 8.326 ( -2.719 1.055 0.849) 3.038 8.418 ( -3.437 1.244 1.225) 3.855 8.469 ( -0.806 0.495 -3.698) 3.817 8.867 ( -1.844 -2.306 4.519) 5.398 8.941 ( -1.220 -0.399 -0.368) 1.335 8.961 ( -2.580 2.994 -2.254) 4.550 8.971 ( -2.263 3.914 -1.662) 4.817 9.072 ( 0.965 -1.909 0.389) 2.174 9.104 ( -1.718 1.690 -2.186) 3.253 9.288 ( 2.250 1.305 2.193) 3.402 9.324 ( 1.023 -0.138 -1.249) 1.620 9.382 ( -1.524 -3.087 1.733) 3.855 9.459 ( -2.893 -5.079 -5.457) 7.997 9.518 ( -0.840 -1.022 3.406) 3.654 9.568 ( -2.814 -1.389 -1.086) 3.321 9.671 ( 1.629 4.751 0.921) 5.106 9.701 ( 0.196 3.411 -1.650) 3.794 9.762 ( 0.185 -0.352 2.236) 2.271 9.815 ( -0.605 -1.101 -3.068) 3.316 9.896 ( -1.164 -1.692 2.066) 2.913 9.923 ( -1.866 0.969 -0.799) 2.250 9.952 ( 0.824 4.635 0.131) 4.710 9.964 ( 2.006 4.219 -0.983) 4.774 10.134 ( -1.963 3.885 1.981) 4.783 10.170 ( -1.702 3.398 -1.524) 4.094 10.383 ( -2.280 -0.769 5.373) 5.887 10.460 ( -3.762 -1.227 -2.226) 4.540 10.593 ( 5.235 -1.587 5.340) 7.644 10.661 ( 3.892 -0.580 -1.000) 4.060 10.906 ( 1.772 -7.326 6.107) 9.701 11.051 ( -2.213 -5.519 -8.742) 10.573 11.401 ( -6.389 -0.386 5.134) 8.205 11.466 ( -9.168 -0.195 2.120) 9.412 11.513 ( -7.850 1.115 -1.740) 8.117 11.614 ( -7.578 -0.900 -7.381) 10.617 12.097 ( -1.487 1.077 10.908) 11.062 12.212 ( -0.943 -1.264 6.640) 6.825 12.269 ( -1.704 -1.897 -4.212) 4.924 12.314 ( -0.509 -3.788 -0.943) 3.937 12.448 ( -1.910 2.984 4.121) 5.434 12.516 ( -2.396 2.566 0.939) 3.634 12.587 ( -1.734 1.283 -7.231) 7.546 12.605 ( -2.386 -0.003 -5.098) 5.629 13.820 ( 1.978 1.201 0.855) 2.467 13.836 ( 0.935 0.880 -0.661) 1.444 13.890 ( 4.564 0.168 0.451) 4.590 13.908 ( 4.545 0.376 -1.481) 4.795 14.038 ( -2.866 4.255 3.408) 6.159 14.099 ( -3.355 3.645 -3.052) 5.819 14.297 ( -0.302 0.622 1.485) 1.638 14.315 ( 1.983 1.132 0.691) 2.386 14.355 ( -0.627 4.084 0.872) 4.223 14.395 ( 1.324 2.665 -2.125) 3.657 14.460 ( -3.107 0.331 1.511) 3.470 14.499 ( -3.764 -0.206 -2.230) 4.380 14.585 ( -3.581 -0.985 6.456) 7.448 14.670 ( 0.435 -3.559 3.618) 5.094 14.724 ( -3.331 -2.457 -7.224) 8.326 14.739 ( -1.066 -2.714 -2.084) 3.584 14.837 ( 0.225 -0.568 0.737) 0.957 14.871 ( -1.597 0.267 -1.686) 2.338 14.932 ( -1.522 -0.896 1.784) 2.510 14.999 ( -1.932 -1.623 -4.921) 5.530 15.267 ( -3.959 2.300 1.680) 4.877 15.285 ( -7.962 1.894 1.305) 8.288 15.352 ( -7.769 -0.472 -0.627) 7.809 15.398 ( -8.858 0.450 -3.807) 9.651 15.529 ( -3.658 -0.733 2.503) 4.492 15.559 ( -3.247 -1.436 -0.907) 3.665 15.581 ( -3.698 0.291 3.036) 4.794 15.633 ( -3.678 0.281 -2.322) 4.359 15.766 ( -8.828 -0.867 3.656) 9.594 15.814 ( -9.939 1.749 -1.405) 10.189 15.949 ( -14.300 -2.762 6.191) 15.825 16.067 ( -12.863 -2.524 -6.155) 14.481 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 24.447 1.038 19.493) 31.285 2.957 ( 20.065 9.910 21.607) 31.108 3.225 ( 14.302 -1.112 -17.291) 22.467 3.312 ( 15.695 5.026 -15.063) 22.327 3.609 ( -1.550 -11.190 1.688) 11.422 3.631 ( -1.344 -13.551 -0.879) 13.646 3.714 ( -6.895 -1.444 5.873) 9.172 3.805 ( -0.947 -6.961 -2.339) 7.404 4.050 ( 8.231 10.241 8.201) 15.488 4.054 ( 1.121 6.480 0.973) 6.648 4.095 ( 2.138 5.408 2.230) 6.228 4.215 ( -3.289 4.032 -3.760) 6.420 4.349 ( 1.185 -0.036 -1.067) 1.595 4.445 ( 8.295 0.990 -6.008) 10.290 4.532 ( 1.064 -2.607 8.374) 8.835 4.629 ( 0.353 1.060 5.820) 5.926 4.691 ( 5.104 -6.032 2.035) 8.159 4.816 ( 0.724 -3.287 -2.983) 4.498 4.828 ( 4.875 0.220 -5.827) 7.601 4.961 ( 2.093 -1.837 -16.869) 17.097 5.140 ( 2.697 0.180 6.942) 7.450 5.197 ( 0.193 -3.942 5.829) 7.039 5.314 ( 0.673 -2.157 -5.968) 6.381 5.351 ( -1.178 -6.358 -5.732) 8.641 5.870 ( 3.109 8.958 8.514) 12.744 5.967 ( 5.776 3.867 -1.474) 7.105 6.022 ( -4.016 7.683 7.465) 11.441 6.124 ( -1.178 6.992 -2.675) 7.578 6.358 ( 19.666 1.047 1.932) 19.788 6.456 ( 19.295 1.963 -2.807) 19.597 6.508 ( 12.559 0.823 -2.552) 12.842 6.571 ( 10.134 -0.172 -4.379) 11.041 6.596 ( 3.760 -5.302 1.402) 6.650 6.640 ( 8.345 -6.012 -2.166) 10.510 6.758 ( 14.243 -2.725 2.645) 14.741 6.825 ( 4.535 -0.505 -2.911) 5.412 6.908 ( -0.788 -3.400 0.009) 3.490 6.957 ( -4.180 1.041 -5.654) 7.108 7.088 ( -2.195 -2.290 2.807) 4.236 7.139 ( -2.896 -0.794 -2.717) 4.050 7.607 ( 8.027 0.056 2.501) 8.408 7.641 ( 7.828 0.404 -0.590) 7.861 7.717 ( 14.407 -1.300 -0.138) 14.466 7.730 ( 16.138 -1.154 -1.665) 16.264 8.202 ( -10.371 1.848 2.018) 10.726 8.235 ( -8.755 1.089 -1.160) 8.898 8.288 ( -8.706 1.710 5.720) 10.556 8.405 ( -7.131 0.115 -6.167) 9.428 8.829 ( -1.042 1.730 3.296) 3.865 8.892 ( -3.748 4.048 -0.517) 5.540 8.894 ( -3.256 2.537 -0.581) 4.169 8.917 ( -2.531 4.363 -0.395) 5.060 9.067 ( -1.273 -0.695 1.384) 2.005 9.110 ( 2.496 -2.788 -2.955) 4.768 9.233 ( -6.386 -2.969 2.392) 7.438 9.286 ( -3.801 0.090 -2.146) 4.365 9.414 ( 2.580 -2.726 1.169) 3.931 9.458 ( 2.802 -1.697 -3.027) 4.460 9.517 ( -1.683 -1.333 0.398) 2.183 9.523 ( 0.856 -1.421 -0.399) 1.706 9.693 ( -0.414 1.763 0.794) 1.977 9.704 ( 1.414 1.437 -0.206) 2.026 9.776 ( 0.002 -1.392 0.665) 1.543 9.802 ( -0.769 -3.560 -2.393) 4.358 9.883 ( 1.243 0.414 1.140) 1.737 9.895 ( -0.024 -0.146 -0.162) 0.219 10.004 ( 1.524 5.839 2.035) 6.369 10.037 ( 4.544 4.531 -0.972) 6.490 10.069 ( -3.050 2.566 1.026) 4.116 10.089 ( -3.481 3.042 -0.763) 4.685 10.318 ( -4.573 -2.389 2.670) 5.809 10.352 ( -7.134 -1.559 -0.993) 7.369 10.737 ( 8.919 -0.523 5.246) 10.361 10.761 ( 6.659 -0.219 2.950) 7.287 10.981 ( 3.843 -5.178 0.936) 6.516 11.042 ( 2.809 -3.309 -5.830) 7.268 11.229 ( -10.813 -1.179 2.254) 11.108 11.257 ( -10.341 -1.112 -0.640) 10.420 11.319 ( -9.939 -0.077 2.519) 10.254 11.438 ( -9.751 -2.229 -7.602) 12.563 12.088 ( 0.830 1.583 10.359) 10.512 12.182 ( -2.257 0.204 8.277) 8.581 12.254 ( 0.488 -1.595 -5.202) 5.463 12.301 ( -0.816 -3.685 -1.641) 4.116 12.425 ( -0.251 2.023 3.830) 4.338 12.473 ( -1.919 1.791 1.207) 2.889 12.553 ( -1.320 -0.026 -7.419) 7.536 12.564 ( -1.615 -0.872 -5.645) 5.936 13.854 ( 1.677 1.910 0.844) 2.678 13.874 ( 2.497 2.541 -1.179) 3.753 13.941 ( -1.545 1.899 1.794) 3.035 13.975 ( 0.145 0.680 -1.659) 1.799 14.047 ( 5.171 1.754 0.926) 5.538 14.067 ( 2.803 3.288 -0.902) 4.414 14.289 ( -2.281 -1.081 1.381) 2.877 14.311 ( -3.567 -1.288 -0.624) 3.843 14.389 ( 2.409 2.981 3.992) 5.534 14.402 ( 2.483 2.883 2.692) 4.661 14.452 ( 2.544 2.979 -2.959) 4.909 14.468 ( 3.481 1.692 -3.900) 5.494 14.518 ( -3.007 0.225 5.715) 6.462 14.638 ( -4.037 -1.621 -6.476) 7.802 14.690 ( 0.294 -4.073 1.593) 4.383 14.722 ( -1.879 -3.880 -0.944) 4.414 14.812 ( -2.179 -0.739 0.785) 2.431 14.845 ( -1.524 0.543 -2.383) 2.880 14.932 ( 2.035 -0.978 2.856) 3.640 14.993 ( 1.900 -1.601 -3.470) 4.268 15.013 ( -14.543 3.946 1.021) 15.103 15.051 ( -16.747 2.613 -2.900) 17.196 15.211 ( -5.863 0.093 1.948) 6.179 15.247 ( -7.790 -1.181 -1.637) 8.047 15.455 ( -2.690 0.423 2.538) 3.722 15.481 ( -3.872 0.598 -0.233) 3.925 15.509 ( -3.323 1.036 1.183) 3.676 15.517 ( -5.874 1.569 1.021) 6.165 15.675 ( -2.155 -2.149 1.253) 3.291 15.704 ( -1.330 -2.497 -1.262) 3.098 15.720 ( -6.501 -2.322 5.448) 8.794 15.840 ( -8.667 -2.798 -6.431) 11.149 ======================= Grid point 103 (40/45) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -13.456 -0.166 10.215) 16.895 3.275 ( 13.456 -0.166 10.215) 16.895 3.340 ( -15.150 2.966 10.010) 18.399 3.340 ( 15.150 2.966 10.010) 18.399 3.545 ( -6.146 -6.965 -0.214) 9.291 3.545 ( 6.146 -6.965 -0.214) 9.291 3.735 ( -8.179 -1.888 -13.009) 15.482 3.735 ( 8.179 -1.888 -13.009) 15.482 4.060 ( -3.209 3.563 2.227) 5.286 4.060 ( 3.209 3.563 2.227) 5.286 4.137 ( -1.204 4.873 -5.361) 7.344 4.137 ( 1.204 4.873 -5.361) 7.344 4.478 ( -6.097 0.193 8.172) 10.198 4.478 ( 6.097 0.193 8.172) 10.198 4.584 ( -4.219 0.971 0.836) 4.409 4.584 ( 4.219 0.971 0.836) 4.409 4.781 ( -3.274 -5.259 1.555) 6.387 4.781 ( 3.274 -5.259 1.555) 6.387 4.940 ( -4.120 -1.210 -12.681) 13.389 4.940 ( 4.120 -1.210 -12.681) 13.389 5.190 ( -1.482 -2.271 6.958) 7.468 5.190 ( 1.482 -2.271 6.958) 7.468 5.330 ( -0.986 -4.134 -7.020) 8.206 5.330 ( 0.986 -4.134 -7.020) 8.206 5.936 ( -3.744 8.558 8.625) 12.714 5.936 ( 3.744 8.558 8.625) 12.714 6.061 ( -3.779 5.829 -3.639) 7.842 6.061 ( 3.779 5.829 -3.639) 7.842 6.565 ( -3.353 -4.487 4.131) 6.959 6.565 ( 3.353 -4.487 4.131) 6.959 6.634 ( -2.649 -3.508 -2.954) 5.296 6.634 ( 2.649 -3.508 -2.954) 5.296 6.755 ( -5.828 0.929 1.690) 6.139 6.755 ( 5.828 0.929 1.690) 6.139 6.839 ( -7.995 1.036 -7.369) 10.922 6.839 ( 7.995 1.036 -7.369) 10.922 7.000 ( -7.532 -1.531 1.799) 7.893 7.000 ( 7.532 -1.531 1.799) 7.893 7.047 ( -6.755 -0.963 -3.233) 7.551 7.047 ( 6.755 -0.963 -3.233) 7.551 7.889 ( -17.535 1.553 1.908) 17.707 7.889 ( 17.535 1.553 1.908) 17.707 7.923 ( -17.945 1.704 -1.337) 18.075 7.923 ( 17.945 1.704 -1.337) 18.075 8.058 ( -15.043 -0.336 3.895) 15.543 8.058 ( 15.043 -0.336 3.895) 15.543 8.135 ( -18.683 -1.519 -3.902) 19.146 8.135 ( 18.683 -1.519 -3.902) 19.146 8.847 ( -1.064 4.091 0.765) 4.296 8.847 ( 1.064 4.091 0.765) 4.296 8.857 ( -2.468 3.888 -0.601) 4.644 8.857 ( 2.468 3.888 -0.601) 4.644 9.098 ( -4.247 -2.530 4.589) 6.745 9.098 ( 4.247 -2.530 4.589) 6.745 9.194 ( -4.101 -1.647 -5.652) 7.175 9.194 ( 4.101 -1.647 -5.652) 7.175 9.469 ( -2.224 -0.449 2.396) 3.299 9.469 ( 2.224 -0.449 2.396) 3.299 9.521 ( -1.655 -1.484 -3.045) 3.770 9.521 ( 1.655 -1.484 -3.045) 3.770 9.714 ( -1.946 -1.898 3.009) 4.055 9.714 ( 1.946 -1.898 3.009) 4.055 9.769 ( -1.606 -1.556 -2.540) 3.383 9.769 ( 1.606 -1.556 -2.540) 3.383 9.937 ( -3.983 3.152 1.628) 5.334 9.937 ( 3.983 3.152 1.628) 5.334 9.954 ( -5.119 2.927 -0.214) 5.900 9.954 ( 5.119 2.927 -0.214) 5.900 10.176 ( -4.373 -0.325 1.492) 4.632 10.176 ( 4.373 -0.325 1.492) 4.632 10.200 ( -3.420 0.282 -0.974) 3.567 10.200 ( 3.420 0.282 -0.974) 3.567 10.911 ( -4.401 -0.169 5.991) 7.436 10.911 ( 4.401 -0.169 5.991) 7.436 10.979 ( -7.382 1.524 -0.702) 7.571 10.979 ( 7.382 1.524 -0.702) 7.571 11.150 ( -2.624 -4.372 1.302) 5.263 11.150 ( 2.624 -4.372 1.302) 5.263 11.240 ( -8.187 -3.522 -6.898) 11.270 11.240 ( 8.187 -3.522 -6.898) 11.270 12.127 ( -2.769 1.343 9.643) 10.122 12.127 ( 2.769 1.343 9.643) 10.122 12.278 ( -1.450 -2.511 -3.875) 4.839 12.278 ( 1.450 -2.511 -3.875) 4.839 12.438 ( -1.408 1.635 2.252) 3.119 12.438 ( 1.408 1.635 2.252) 3.119 12.543 ( -0.362 -1.098 -6.398) 6.502 12.543 ( 0.362 -1.098 -6.398) 6.502 13.895 ( -2.341 2.572 1.616) 3.834 13.895 ( 2.341 2.572 1.616) 3.834 13.929 ( -2.940 3.241 -1.983) 4.805 13.929 ( 2.940 3.241 -1.983) 4.805 14.176 ( -4.887 -0.447 1.115) 5.032 14.176 ( 4.887 -0.447 1.115) 5.032 14.190 ( -5.084 -0.538 -0.159) 5.115 14.190 ( 5.084 -0.538 -0.159) 5.115 14.454 ( -3.090 1.891 4.771) 5.990 14.454 ( 3.090 1.891 4.771) 5.990 14.541 ( -4.906 0.765 -3.117) 5.863 14.541 ( 4.906 0.765 -3.117) 5.863 14.566 ( -9.484 0.440 1.027) 9.549 14.566 ( 9.484 0.440 1.027) 9.549 14.618 ( -9.316 0.470 -3.589) 9.995 14.618 ( 9.316 0.470 -3.589) 9.995 14.805 ( -1.484 1.328 1.120) 2.285 14.805 ( 1.484 1.328 1.120) 2.285 14.843 ( -0.605 1.003 -2.636) 2.885 14.843 ( 0.605 1.003 -2.636) 2.885 15.049 ( -8.177 -2.250 2.231) 8.770 15.049 ( 8.177 -2.250 2.231) 8.770 15.087 ( -6.859 -1.990 -1.694) 7.340 15.087 ( 6.859 -1.990 -1.694) 7.340 15.434 ( -0.551 1.506 3.174) 3.556 15.434 ( 0.551 1.506 3.174) 3.556 15.465 ( -0.733 1.326 -0.157) 1.523 15.465 ( 0.733 1.326 -0.157) 1.523 15.658 ( -0.604 -2.188 2.657) 3.494 15.658 ( 0.604 -2.188 2.657) 3.494 15.726 ( -3.082 -2.896 -4.233) 5.984 15.726 ( 3.082 -2.896 -4.233) 5.984 ======================= Grid point 108 (41/45) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 28.725 16.069) 32.914 2.232 ( 0.000 25.249 21.065) 32.882 2.509 ( 0.000 18.060 -19.183) 26.347 2.673 ( 0.000 2.876 -22.006) 22.193 2.922 ( 0.000 -18.957 2.553) 19.128 2.941 ( 0.000 -26.634 7.222) 27.596 3.053 ( 0.000 -22.212 -8.623) 23.827 3.123 ( 0.000 -19.971 -11.764) 23.179 3.635 ( 0.000 23.174 24.582) 33.783 3.853 ( 0.000 5.266 5.379) 7.528 3.893 ( 0.000 -4.234 10.661) 11.471 4.012 ( 0.000 -5.808 -1.369) 5.967 4.073 ( 0.000 10.328 4.944) 11.450 4.316 ( 0.000 -1.452 8.821) 8.940 4.371 ( 0.000 5.563 -13.538) 14.637 4.401 ( 0.000 -6.403 2.278) 6.796 4.578 ( 0.000 4.822 0.055) 4.822 4.658 ( 0.000 2.781 -5.883) 6.507 4.667 ( 0.000 -3.065 -0.198) 3.072 4.721 ( 0.000 -3.059 -3.883) 4.944 5.097 ( 0.000 0.089 4.081) 4.082 5.154 ( 0.000 -4.836 2.287) 5.350 5.158 ( 0.000 5.748 1.457) 5.929 5.256 ( 0.000 -1.031 -6.822) 6.900 5.415 ( 0.000 2.553 3.364) 4.223 5.471 ( 0.000 3.170 -0.466) 3.204 5.504 ( 0.000 -0.400 -5.889) 5.902 5.522 ( 0.000 -4.480 -5.164) 6.836 6.127 ( 0.000 4.164 7.436) 8.522 6.159 ( 0.000 0.204 3.761) 3.766 6.240 ( 0.000 3.917 -5.402) 6.672 6.334 ( 0.000 -1.321 8.921) 9.018 6.336 ( 0.000 -4.433 4.569) 6.366 6.343 ( 0.000 -3.146 -7.625) 8.249 6.545 ( 0.000 1.627 -12.231) 12.339 6.581 ( 0.000 -2.908 -13.936) 14.236 6.961 ( 0.000 2.454 2.216) 3.306 7.003 ( 0.000 2.503 -2.293) 3.395 7.062 ( 0.000 -6.902 2.037) 7.196 7.102 ( 0.000 -6.588 -2.028) 6.893 7.491 ( 0.000 5.306 4.399) 6.892 7.559 ( 0.000 4.782 -2.735) 5.509 7.604 ( 0.000 -4.779 3.300) 5.808 7.652 ( 0.000 -3.741 -1.732) 4.123 8.340 ( 0.000 1.030 3.578) 3.723 8.381 ( 0.000 -2.729 3.427) 4.380 8.409 ( 0.000 0.959 -3.688) 3.811 8.446 ( 0.000 -2.150 -3.330) 3.964 8.842 ( 0.000 0.539 6.642) 6.664 8.879 ( 0.000 -2.116 7.085) 7.395 8.970 ( 0.000 2.594 -7.131) 7.588 9.017 ( 0.000 -0.853 -7.449) 7.498 9.227 ( 0.000 7.630 3.300) 8.314 9.271 ( 0.000 4.594 -1.154) 4.736 9.288 ( 0.000 2.805 1.394) 3.132 9.316 ( 0.000 3.463 -1.557) 3.797 9.424 ( 0.000 -0.749 0.542) 0.925 9.456 ( 0.000 -3.303 -2.573) 4.186 9.459 ( 0.000 -6.677 3.698) 7.632 9.505 ( 0.000 -7.350 -0.878) 7.403 9.711 ( 0.000 2.236 1.957) 2.971 9.756 ( 0.000 4.233 -3.332) 5.387 9.768 ( 0.000 -1.967 2.977) 3.568 9.829 ( 0.000 -0.319 -3.706) 3.720 9.918 ( 0.000 2.177 0.801) 2.319 9.938 ( 0.000 -2.027 -1.932) 2.800 9.962 ( 0.000 -2.091 1.575) 2.618 9.985 ( 0.000 -2.801 -0.688) 2.885 10.379 ( 0.000 10.892 5.926) 12.400 10.417 ( 0.000 1.215 6.571) 6.682 10.471 ( 0.000 12.661 -3.776) 13.212 10.498 ( 0.000 7.755 2.460) 8.136 10.521 ( 0.000 -0.391 -4.265) 4.282 10.554 ( 0.000 -0.134 -1.590) 1.596 10.706 ( 0.000 -11.167 9.328) 14.551 10.885 ( 0.000 -15.236 -9.705) 18.064 11.561 ( 0.000 2.530 6.699) 7.161 11.615 ( 0.000 -2.053 5.623) 5.986 11.702 ( 0.000 1.934 -8.197) 8.422 11.740 ( 0.000 -1.605 -7.640) 7.807 12.152 ( 0.000 0.845 8.451) 8.493 12.183 ( 0.000 -2.011 7.221) 7.496 12.266 ( 0.000 -0.973 -2.824) 2.987 12.271 ( 0.000 -1.386 -1.207) 1.838 12.598 ( 0.000 3.373 2.677) 4.307 12.644 ( 0.000 -0.286 0.586) 0.652 12.673 ( 0.000 1.547 -4.785) 5.029 12.684 ( 0.000 0.256 -2.976) 2.987 13.786 ( 0.000 1.061 1.455) 1.801 13.804 ( 0.000 -0.357 1.078) 1.135 13.817 ( 0.000 0.838 -1.759) 1.949 13.828 ( 0.000 -0.167 -1.480) 1.490 14.224 ( 0.000 3.101 0.971) 3.249 14.251 ( 0.000 1.456 -1.845) 2.350 14.251 ( 0.000 -0.186 1.003) 1.020 14.269 ( 0.000 1.246 -0.945) 1.564 14.457 ( 0.000 2.058 1.837) 2.759 14.498 ( 0.000 5.202 -2.585) 5.809 14.526 ( 0.000 -3.574 4.709) 5.912 14.600 ( 0.000 -1.839 -1.966) 2.692 14.646 ( 0.000 -0.868 4.462) 4.545 14.656 ( 0.000 1.969 -0.802) 2.126 14.670 ( 0.000 -2.335 -2.124) 3.157 14.745 ( 0.000 -3.490 -6.033) 6.969 14.886 ( 0.000 3.663 3.508) 5.072 14.934 ( 0.000 2.206 -1.685) 2.776 14.953 ( 0.000 -2.433 2.520) 3.503 15.005 ( 0.000 -3.498 -3.411) 4.886 15.391 ( 0.000 3.416 2.046) 3.982 15.444 ( 0.000 1.470 -3.034) 3.372 15.459 ( 0.000 -2.214 2.107) 3.056 15.481 ( 0.000 -2.420 -0.155) 2.425 15.586 ( 0.000 -0.827 3.753) 3.843 15.601 ( 0.000 -2.062 0.985) 2.285 15.634 ( 0.000 -0.426 -1.931) 1.978 15.645 ( 0.000 -1.261 -2.133) 2.478 16.155 ( 0.000 3.742 4.541) 5.884 16.237 ( 0.000 4.764 -4.066) 6.263 16.241 ( 0.000 -3.854 4.811) 6.164 16.332 ( 0.000 -3.791 -4.789) 6.108 ======================= Grid point 109 (42/45) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 11.007 22.360 21.586) 32.971 2.489 ( 20.587 25.354 14.660) 35.799 2.706 ( 15.894 13.618 -20.765) 29.483 2.766 ( 9.103 -2.408 -11.869) 15.150 2.961 ( 7.815 -8.677 -2.651) 11.975 3.097 ( 5.702 -17.657 -10.366) 21.254 3.143 ( 13.847 -25.604 7.275) 30.004 3.304 ( 14.806 -21.752 -8.926) 27.786 3.747 ( 10.784 22.187 21.824) 32.936 3.947 ( 7.721 3.812 1.814) 8.799 4.004 ( 9.521 -3.061 7.316) 12.392 4.050 ( 3.505 -0.135 1.536) 3.829 4.148 ( 6.536 4.796 6.086) 10.137 4.357 ( 4.151 -1.307 8.854) 9.866 4.408 ( 2.819 5.493 -7.057) 9.377 4.469 ( 5.768 -6.909 4.392) 10.015 4.578 ( -0.254 3.645 2.405) 4.375 4.655 ( -0.189 -2.568 0.699) 2.668 4.743 ( 5.138 0.148 -11.977) 13.033 4.761 ( 3.392 -1.774 -9.528) 10.269 5.104 ( 1.260 0.613 6.359) 6.511 5.157 ( 1.496 -1.730 2.769) 3.591 5.259 ( -0.391 1.116 -6.416) 6.525 5.261 ( 6.305 -0.642 -4.221) 7.615 5.505 ( 10.180 0.302 3.805) 10.872 5.529 ( 3.938 -0.683 -1.106) 4.147 5.552 ( 10.231 3.631 -2.015) 11.041 5.608 ( 12.025 -0.616 -5.178) 13.107 6.108 ( -0.701 6.365 6.553) 9.162 6.170 ( 0.969 0.373 3.701) 3.844 6.254 ( 1.561 2.291 -4.284) 5.103 6.334 ( 0.424 -0.071 3.152) 3.181 6.361 ( 2.030 -5.053 4.371) 6.982 6.381 ( 2.813 -4.591 -2.891) 6.112 6.528 ( -1.285 2.937 -10.904) 11.365 6.592 ( 0.791 -3.947 -12.214) 12.860 6.962 ( -0.032 2.024 2.675) 3.354 7.008 ( 0.492 1.513 -1.395) 2.116 7.057 ( -0.514 -5.446 0.926) 5.548 7.097 ( -0.214 -5.456 -2.357) 5.947 7.482 ( -0.520 4.741 4.625) 6.644 7.552 ( -0.470 3.938 -2.520) 4.699 7.585 ( -1.768 -3.992 2.991) 5.292 7.635 ( -1.539 -3.227 -2.142) 4.168 8.340 ( -0.026 1.275 3.717) 3.930 8.371 ( -0.598 -0.767 2.728) 2.896 8.424 ( 1.014 -0.569 -2.868) 3.095 8.449 ( 0.175 -1.826 -3.126) 3.624 8.846 ( 0.447 0.822 6.424) 6.492 8.889 ( 1.024 -2.276 5.852) 6.362 8.967 ( -0.049 1.849 -5.421) 5.728 9.015 ( -0.154 -1.265 -6.545) 6.668 9.223 ( -1.176 8.079 1.484) 8.298 9.240 ( -2.482 5.142 -0.244) 5.715 9.307 ( 0.798 0.909 0.527) 1.319 9.317 ( 0.257 2.393 -0.362) 2.434 9.400 ( -2.072 -0.073 -0.582) 2.153 9.430 ( -2.076 -2.813 -2.545) 4.324 9.463 ( 0.279 -5.707 2.796) 6.361 9.509 ( 0.172 -6.266 -1.558) 6.459 9.708 ( -0.125 1.964 2.025) 2.824 9.746 ( -0.494 2.491 -1.081) 2.760 9.777 ( 0.044 -1.633 1.239) 2.051 9.825 ( -0.516 -1.270 -2.948) 3.252 9.913 ( -0.359 3.016 0.600) 3.096 9.925 ( -0.899 -0.233 -0.880) 1.279 9.972 ( 0.648 -2.271 0.692) 2.461 9.984 ( 0.104 -2.281 -0.306) 2.303 10.348 ( -2.847 9.243 5.381) 11.068 10.381 ( -2.559 8.475 2.203) 9.123 10.453 ( -2.621 0.065 1.337) 2.943 10.501 ( -2.171 -0.786 -3.305) 4.032 10.530 ( 2.794 8.557 1.783) 9.176 10.579 ( 2.799 1.795 -1.733) 3.750 10.702 ( -0.145 -10.067 8.594) 13.237 10.871 ( -1.150 -14.180 -9.266) 16.978 11.527 ( -3.366 2.396 6.243) 7.486 11.578 ( -3.795 -1.890 5.476) 6.926 11.663 ( -3.939 1.943 -7.922) 9.058 11.704 ( -3.808 -1.691 -7.635) 8.698 12.146 ( -0.641 1.186 8.448) 8.555 12.181 ( -0.198 -2.008 6.946) 7.234 12.259 ( -0.760 -0.911 -2.282) 2.572 12.265 ( -0.532 -1.460 -0.955) 1.824 12.571 ( -2.501 3.190 2.688) 4.863 12.614 ( -2.800 -0.138 0.489) 2.846 12.654 ( -1.841 1.108 -5.118) 5.551 12.662 ( -2.112 0.375 -3.550) 4.147 13.799 ( 1.439 0.996 1.950) 2.620 13.818 ( 1.455 -0.604 1.363) 2.083 13.840 ( 1.736 0.776 -2.252) 2.947 13.849 ( 2.321 0.158 -1.889) 2.997 14.198 ( -1.923 4.508 1.218) 5.050 14.226 ( -1.631 2.921 -1.517) 3.674 14.265 ( 0.567 -1.498 1.049) 1.915 14.288 ( 1.073 -0.841 -1.104) 1.755 14.450 ( -0.575 2.683 2.431) 3.665 14.497 ( -0.115 4.433 -1.619) 4.721 14.524 ( -0.574 -1.418 2.736) 3.134 14.579 ( -2.141 -0.040 -1.321) 2.516 14.600 ( -3.187 0.996 3.520) 4.852 14.641 ( -1.953 0.261 1.156) 2.285 14.660 ( -0.559 -4.736 -3.451) 5.886 14.714 ( -2.858 -4.041 -5.730) 7.572 14.874 ( -1.070 2.918 3.506) 4.685 14.920 ( -1.487 1.190 -0.593) 1.995 14.938 ( -1.326 -1.403 1.216) 2.281 14.988 ( -1.649 -3.178 -3.558) 5.047 15.377 ( -1.449 3.299 1.799) 4.027 15.411 ( -2.783 1.071 -0.707) 3.064 15.444 ( -2.417 -0.957 0.987) 2.780 15.459 ( -2.033 -2.750 -0.732) 3.498 15.571 ( -1.381 -0.435 2.983) 3.316 15.582 ( -1.772 -1.403 0.718) 2.371 15.615 ( -1.738 -0.443 -1.626) 2.421 15.631 ( -1.277 -1.789 -2.011) 2.980 16.045 ( -10.397 3.752 4.972) 12.120 16.130 ( -10.221 0.571 0.684) 10.260 16.136 ( -9.795 0.299 0.287) 9.804 16.233 ( -9.435 -4.014 -5.153) 11.475 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 18.136 15.895 20.232) 31.478 2.913 ( 19.341 20.585 15.381) 32.162 2.967 ( 12.116 -3.280 -8.656) 15.248 3.036 ( 13.771 -6.516 -7.419) 16.945 3.228 ( 14.784 8.404 -11.310) 20.423 3.253 ( 10.404 -10.586 -12.603) 19.472 3.412 ( 10.923 -21.563 10.219) 26.243 3.585 ( 9.967 -16.321 -8.409) 20.890 4.042 ( 16.455 15.003 10.999) 24.836 4.102 ( 7.292 3.811 0.196) 8.230 4.134 ( 4.766 4.459 5.042) 8.248 4.205 ( 8.172 -4.162 2.926) 9.627 4.283 ( 5.204 3.320 7.883) 10.012 4.415 ( -0.307 6.380 -0.110) 6.388 4.475 ( 3.536 -1.596 14.308) 14.825 4.527 ( -0.249 -3.736 10.799) 11.430 4.621 ( 5.468 -1.170 -3.763) 6.740 4.665 ( 0.941 -2.966 -2.034) 3.718 4.787 ( -0.357 -1.768 -12.644) 12.772 4.817 ( 2.240 -3.825 -15.688) 16.302 5.125 ( 0.622 1.533 4.392) 4.693 5.186 ( 0.929 -2.036 0.054) 2.239 5.247 ( -0.663 -0.279 -4.777) 4.831 5.281 ( -2.274 -2.598 -10.051) 10.628 5.829 ( 19.860 2.735 7.881) 21.541 5.845 ( 21.744 1.946 7.197) 22.986 5.940 ( 27.133 6.244 -2.862) 27.988 6.010 ( 23.461 2.642 -8.782) 25.189 6.137 ( 6.110 6.883 6.363) 11.189 6.225 ( 4.995 0.684 5.802) 7.686 6.291 ( 2.969 1.351 -4.491) 5.551 6.363 ( 2.309 -0.531 -1.926) 3.053 6.408 ( 3.143 -5.777 6.683) 9.376 6.430 ( 2.140 -7.619 -3.389) 8.609 6.512 ( 0.500 2.976 -7.900) 8.457 6.610 ( 1.293 -5.943 -9.691) 11.441 6.955 ( -0.740 2.165 3.786) 4.424 7.022 ( 0.712 -0.563 0.775) 1.194 7.043 ( -0.730 -1.474 -1.403) 2.162 7.105 ( 0.891 -3.726 -3.623) 5.273 7.498 ( 3.012 2.319 4.227) 5.684 7.549 ( 0.191 -1.910 2.377) 3.055 7.564 ( 1.497 1.732 -2.066) 3.084 7.605 ( -0.597 -1.741 -2.827) 3.373 8.334 ( -0.901 1.790 3.986) 4.461 8.353 ( -1.851 0.818 2.893) 3.531 8.429 ( -1.705 -0.388 -1.881) 2.568 8.444 ( -0.848 -1.858 -3.214) 3.808 8.862 ( 1.077 1.814 5.760) 6.134 8.919 ( 1.659 -2.084 2.583) 3.710 8.974 ( 0.604 0.340 -2.894) 2.976 9.011 ( -0.407 -0.872 -4.482) 4.584 9.151 ( -5.324 6.201 1.155) 8.255 9.179 ( -3.902 4.879 -0.844) 6.304 9.268 ( -5.022 -2.617 -0.047) 5.663 9.312 ( -2.124 -2.955 -2.458) 4.392 9.380 ( 0.152 0.844 -0.274) 0.900 9.403 ( 1.301 2.687 -0.058) 2.986 9.473 ( 0.924 -2.791 0.539) 2.989 9.510 ( 0.136 -3.744 -2.261) 4.376 9.706 ( -0.288 0.780 1.667) 1.863 9.736 ( -0.687 1.739 -1.290) 2.271 9.759 ( -1.784 -2.335 1.842) 3.469 9.800 ( -2.162 -2.259 -1.927) 3.673 9.909 ( 0.096 3.404 0.578) 3.455 9.916 ( 0.307 3.233 -0.047) 3.248 9.991 ( 1.587 -2.276 0.782) 2.883 9.999 ( 1.289 -2.764 0.046) 3.050 10.277 ( -4.203 7.355 3.837) 9.300 10.311 ( -4.643 8.220 0.174) 9.442 10.377 ( -4.879 -1.519 2.558) 5.715 10.429 ( -4.789 -2.154 -2.464) 5.800 10.604 ( 5.002 3.050 3.923) 7.051 10.663 ( 5.320 3.022 -1.971) 6.428 10.721 ( 2.892 -7.926 6.561) 10.688 10.859 ( 0.552 -10.993 -7.641) 13.399 11.422 ( -7.081 1.807 4.801) 8.744 11.456 ( -8.382 -0.991 4.499) 9.564 11.537 ( -8.770 1.548 -6.474) 11.010 11.580 ( -8.496 -2.102 -7.406) 11.465 12.131 ( -0.551 2.018 8.243) 8.504 12.178 ( -0.074 -1.986 6.430) 6.731 12.239 ( -1.015 -0.581 -1.300) 1.749 12.250 ( -0.900 -1.748 0.004) 1.966 12.512 ( -2.906 2.629 2.411) 4.601 12.548 ( -3.256 -0.200 0.193) 3.268 12.604 ( -2.917 0.397 -5.292) 6.055 12.609 ( -2.946 0.247 -5.250) 6.026 13.848 ( 3.276 1.040 1.754) 3.859 13.855 ( 2.213 0.528 1.444) 2.695 13.895 ( 3.487 0.409 -1.650) 3.879 13.908 ( 3.431 -0.500 -2.619) 4.345 14.157 ( -2.087 6.161 1.889) 6.774 14.191 ( -1.773 4.599 -1.617) 5.187 14.268 ( -0.433 -3.364 1.654) 3.773 14.296 ( -0.723 -3.795 -1.248) 4.060 14.441 ( 0.099 3.761 3.619) 5.220 14.483 ( -1.585 1.172 1.556) 2.511 14.499 ( -1.025 5.864 -2.056) 6.298 14.526 ( -1.920 2.152 -1.816) 3.408 14.560 ( -1.173 -1.485 3.986) 4.412 14.601 ( -1.321 -1.503 1.325) 2.400 14.643 ( -2.249 -4.930 -3.256) 6.321 14.654 ( -1.582 -3.842 -5.284) 6.721 14.848 ( -1.402 1.288 3.189) 3.714 14.878 ( -2.164 -0.435 1.871) 2.894 14.909 ( -1.429 -0.113 -1.411) 2.012 14.947 ( -1.935 -2.692 -3.636) 4.920 15.324 ( -6.477 2.011 0.741) 6.822 15.327 ( -4.295 2.181 0.765) 4.877 15.347 ( -7.164 -0.153 0.885) 7.220 15.382 ( -6.436 -1.850 -1.784) 6.930 15.531 ( -2.708 0.695 1.872) 3.364 15.539 ( -2.054 -0.273 0.819) 2.228 15.575 ( -2.057 -0.400 -0.683) 2.204 15.601 ( -1.564 -2.412 -2.379) 3.732 15.786 ( -13.188 2.783 6.079) 14.786 15.864 ( -14.573 -2.767 5.587) 15.851 15.892 ( -12.748 3.159 -3.599) 13.618 15.990 ( -13.253 -4.391 -6.110) 15.240 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 18.585 8.847 15.472) 25.750 3.199 ( 10.351 -3.558 2.818) 11.303 3.251 ( 13.839 12.364 12.365) 22.299 3.275 ( 9.385 -4.581 -5.090) 11.617 3.376 ( 2.240 -7.954 -5.662) 10.017 3.527 ( 11.062 5.671 -10.339) 16.169 3.578 ( 6.708 -12.637 6.000) 15.514 3.672 ( -0.236 -4.295 -2.714) 5.087 4.123 ( -3.176 2.291 4.571) 6.020 4.150 ( -3.569 0.881 2.350) 4.363 4.250 ( -1.161 0.136 -3.577) 3.763 4.300 ( -4.031 -2.482 -6.459) 8.008 4.391 ( 9.009 10.983 9.273) 16.964 4.464 ( 7.144 1.275 2.848) 7.795 4.523 ( 4.693 3.194 11.527) 12.849 4.567 ( 3.345 -0.032 10.327) 10.855 4.665 ( -1.490 -3.065 -3.822) 5.120 4.744 ( 5.923 -3.965 -6.630) 9.735 4.782 ( 1.134 -2.281 -8.640) 9.007 4.867 ( 1.921 -5.858 -13.486) 14.828 5.150 ( 1.961 2.018 2.135) 3.531 5.195 ( -0.140 0.602 -0.671) 0.912 5.225 ( -0.250 -2.247 -3.491) 4.159 5.263 ( -0.425 -2.839 -6.570) 7.169 6.074 ( 4.896 6.577 8.574) 11.864 6.090 ( 5.565 7.141 8.284) 12.272 6.201 ( -1.503 8.382 7.742) 11.509 6.296 ( -1.699 7.213 -1.684) 7.599 6.342 ( 7.876 -2.055 -1.977) 8.376 6.399 ( 6.243 -5.420 4.738) 9.529 6.431 ( 3.486 -7.613 -10.249) 13.234 6.496 ( 3.105 -7.278 -3.140) 8.513 6.559 ( 19.318 2.954 -0.428) 19.548 6.616 ( 15.423 2.527 -4.041) 16.142 6.660 ( 18.142 -3.725 -0.689) 18.533 6.735 ( 14.572 -5.769 -6.383) 16.923 6.928 ( -2.202 4.254 4.132) 6.326 7.023 ( -1.468 2.133 -3.178) 4.099 7.026 ( -1.187 -1.589 1.410) 2.433 7.106 ( -1.675 -2.642 -4.282) 5.303 7.627 ( 10.706 1.638 2.357) 11.084 7.651 ( 10.444 0.328 0.691) 10.472 7.684 ( 11.701 -1.369 -0.838) 11.811 7.695 ( 13.594 -1.669 -1.619) 13.791 8.252 ( -9.482 2.360 2.934) 10.203 8.274 ( -6.656 1.464 2.714) 7.336 8.312 ( -10.693 0.974 0.629) 10.755 8.369 ( -8.351 -3.037 -3.121) 9.418 8.895 ( 2.648 3.803 2.692) 5.359 8.935 ( -0.352 1.547 -1.188) 1.982 8.977 ( -1.045 1.054 0.993) 1.786 9.005 ( -0.339 0.075 -1.785) 1.819 9.048 ( -2.609 0.514 0.656) 2.739 9.086 ( -4.858 2.942 -0.722) 5.725 9.145 ( -6.422 -3.015 0.278) 7.100 9.222 ( -5.680 -5.312 -5.549) 9.554 9.421 ( 3.648 2.476 3.345) 5.534 9.463 ( 3.813 0.466 0.481) 3.871 9.505 ( 2.140 0.363 -1.751) 2.789 9.521 ( 0.706 0.058 -1.688) 1.831 9.689 ( -1.448 -0.451 1.359) 2.036 9.700 ( -2.703 0.239 0.352) 2.736 9.724 ( -1.599 -2.877 -0.131) 3.294 9.745 ( -2.886 -2.733 -1.394) 4.212 9.932 ( 2.533 4.024 1.086) 4.877 9.942 ( 2.287 4.199 0.025) 4.781 10.031 ( 1.551 -3.691 0.825) 4.088 10.034 ( 2.159 -3.593 0.469) 4.218 10.182 ( -4.442 5.949 2.030) 7.697 10.201 ( -5.496 6.522 -0.005) 8.529 10.269 ( -5.507 -2.445 2.642) 6.579 10.311 ( -6.686 -2.977 -1.478) 7.466 10.749 ( 9.571 2.020 3.919) 10.537 10.787 ( 7.515 3.589 0.176) 8.330 10.843 ( 8.599 -6.187 2.775) 10.951 10.917 ( 5.703 -7.153 -4.436) 10.167 11.246 ( -10.908 1.438 2.877) 11.372 11.248 ( -11.020 0.325 0.338) 11.030 11.312 ( -12.986 0.494 -3.133) 13.368 11.370 ( -11.944 -3.697 -6.551) 14.115 12.135 ( 1.031 2.580 7.810) 8.289 12.181 ( 0.264 -0.834 5.986) 6.049 12.223 ( -0.661 -1.010 1.479) 1.909 12.232 ( -0.730 -2.001 0.916) 2.318 12.470 ( -0.954 1.949 0.510) 2.229 12.497 ( -1.606 -0.052 -1.334) 2.089 12.545 ( -2.764 -0.417 -4.879) 5.622 12.549 ( -2.724 -0.348 -6.230) 6.808 13.906 ( 2.907 2.444 1.572) 4.110 13.925 ( 3.960 1.525 -0.084) 4.244 13.963 ( 2.685 -0.048 -0.722) 2.780 13.976 ( 2.617 -0.709 -2.153) 3.462 14.123 ( -0.501 5.156 2.179) 5.620 14.157 ( -1.344 4.592 -1.391) 4.982 14.237 ( -3.016 -4.334 1.448) 5.475 14.249 ( -3.483 -3.666 0.110) 5.058 14.466 ( 2.226 3.455 2.566) 4.845 14.481 ( 2.081 3.302 1.172) 4.076 14.504 ( 2.352 2.215 -0.745) 3.316 14.523 ( 0.880 1.733 -1.026) 2.197 14.542 ( -0.054 1.607 0.763) 1.779 14.594 ( 0.112 -4.385 -0.013) 4.386 14.600 ( -1.410 -1.323 -2.692) 3.315 14.630 ( -1.373 -3.760 -2.366) 4.649 14.817 ( -1.095 1.502 2.904) 3.447 14.864 ( 0.943 0.098 0.555) 1.099 14.885 ( -0.160 -1.335 -0.420) 1.408 14.935 ( 1.299 -3.192 -3.203) 4.705 15.110 ( -13.514 4.398 0.765) 14.232 15.128 ( -13.600 3.626 -1.243) 14.130 15.193 ( -10.468 -1.978 -0.159) 10.655 15.202 ( -10.010 -2.868 -0.769) 10.441 15.484 ( -1.487 1.855 3.071) 3.884 15.500 ( -1.525 0.825 1.830) 2.521 15.531 ( -2.492 1.149 2.018) 3.406 15.549 ( -4.200 0.353 1.762) 4.568 15.621 ( -2.021 -1.945 0.779) 2.911 15.642 ( -5.180 -2.941 3.620) 6.970 15.690 ( -6.569 1.192 -3.615) 7.592 15.760 ( -8.578 -4.140 -6.194) 11.362 ======================= Grid point 112 (45/45) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -9.399 1.384 6.803) 11.685 3.267 ( 9.399 1.384 6.803) 11.685 3.348 ( -0.484 -5.054 -1.277) 5.235 3.348 ( 0.484 -5.054 -1.277) 5.235 3.527 ( -11.461 6.797 12.575) 18.322 3.527 ( 11.461 6.797 12.575) 18.322 3.668 ( -1.917 -4.789 -1.421) 5.351 3.668 ( 1.917 -4.789 -1.421) 5.351 4.126 ( -5.517 2.379 -4.031) 7.235 4.126 ( 5.517 2.379 -4.031) 7.235 4.168 ( -4.203 -1.342 -7.936) 9.080 4.168 ( 4.203 -1.342 -7.936) 9.080 4.513 ( -3.509 2.883 7.341) 8.633 4.513 ( 3.509 2.883 7.341) 8.633 4.602 ( -4.404 -3.727 3.749) 6.880 4.602 ( 4.404 -3.727 3.749) 6.880 4.720 ( -5.881 4.725 -1.386) 7.670 4.720 ( 5.881 4.725 -1.386) 7.670 4.864 ( -2.792 -5.890 -9.914) 11.864 4.864 ( 2.792 -5.890 -9.914) 11.864 5.184 ( -0.995 1.602 0.743) 2.027 5.184 ( 0.995 1.602 0.743) 2.027 5.242 ( -1.491 -3.507 -4.380) 5.806 5.242 ( 1.491 -3.507 -4.380) 5.806 6.136 ( -2.502 9.074 8.633) 12.772 6.136 ( 2.502 9.074 8.633) 12.772 6.214 ( -4.674 6.036 3.309) 8.320 6.214 ( 4.674 6.036 3.309) 8.320 6.415 ( -1.826 -6.225 -0.290) 6.493 6.415 ( 1.826 -6.225 -0.290) 6.493 6.490 ( -2.147 -8.518 -5.238) 10.228 6.490 ( 2.147 -8.518 -5.238) 10.228 6.816 ( -7.351 3.866 2.007) 8.545 6.816 ( 7.351 3.866 2.007) 8.545 6.877 ( -1.750 -0.184 -3.397) 3.826 6.877 ( 1.750 -0.184 -3.397) 3.826 6.974 ( -0.457 0.578 -0.930) 1.186 6.974 ( 0.457 0.578 -0.930) 1.186 7.016 ( -7.095 -1.990 -4.386) 8.575 7.016 ( 7.095 -1.990 -4.386) 8.575 7.935 ( -15.636 2.522 2.294) 16.004 7.935 ( 15.636 2.522 2.294) 16.004 7.965 ( -9.198 1.042 -0.246) 9.260 7.965 ( 9.198 1.042 -0.246) 9.260 8.043 ( -7.098 -0.098 1.812) 7.327 8.043 ( 7.098 -0.098 1.812) 7.327 8.085 ( -16.689 -2.833 -1.954) 17.040 8.085 ( 16.689 -2.833 -1.954) 17.040 8.938 ( -1.635 3.981 1.464) 4.546 8.938 ( 1.635 3.981 1.464) 4.546 8.969 ( -3.218 5.133 -1.364) 6.210 8.969 ( 3.218 5.133 -1.364) 6.210 9.032 ( -2.006 -2.660 2.847) 4.382 9.032 ( 2.006 -2.660 2.847) 4.382 9.111 ( -4.813 -5.496 -4.912) 8.804 9.111 ( 4.813 -5.496 -4.912) 8.804 9.500 ( -2.981 2.613 1.704) 4.315 9.500 ( 2.981 2.613 1.704) 4.315 9.528 ( -1.063 1.148 -1.262) 2.010 9.528 ( 1.063 1.148 -1.262) 2.010 9.665 ( -0.575 -1.360 2.061) 2.535 9.665 ( 0.575 -1.360 2.061) 2.535 9.704 ( -0.702 -3.635 -1.973) 4.195 9.704 ( 0.702 -3.635 -1.973) 4.195 10.000 ( -1.927 2.448 1.552) 3.481 10.000 ( 1.927 2.448 1.552) 3.481 10.018 ( -2.386 1.425 -0.339) 2.800 10.018 ( 2.386 1.425 -0.339) 2.800 10.167 ( -2.034 0.087 1.790) 2.711 10.167 ( 2.034 0.087 1.790) 2.711 10.188 ( -3.441 -1.241 -0.329) 3.673 10.188 ( 3.441 -1.241 -0.329) 3.673 10.939 ( -1.982 2.845 5.176) 6.230 10.939 ( 1.982 2.845 5.176) 6.230 11.018 ( -7.140 -1.297 1.534) 7.417 11.018 ( 7.140 -1.297 1.534) 7.417 11.054 ( -0.467 -0.244 -2.354) 2.412 11.054 ( 0.467 -0.244 -2.354) 2.412 11.142 ( -6.524 -5.053 -6.613) 10.575 11.142 ( 6.524 -5.053 -6.613) 10.575 12.167 ( -1.731 2.225 6.866) 7.422 12.167 ( 1.731 2.225 6.866) 7.422 12.221 ( -0.511 -2.637 2.538) 3.695 12.221 ( 0.511 -2.637 2.538) 3.695 12.476 ( -1.098 1.751 -2.456) 3.210 12.476 ( 1.098 1.751 -2.456) 3.210 12.513 ( -0.409 -1.616 -5.027) 5.296 12.513 ( 0.409 -1.616 -5.027) 5.296 13.963 ( -2.263 3.027 1.048) 3.922 13.963 ( 2.263 3.027 1.048) 3.922 13.989 ( -1.582 1.238 -1.737) 2.655 13.989 ( 1.582 1.238 -1.737) 2.655 14.162 ( -0.184 -0.414 1.179) 1.263 14.162 ( 0.184 -0.414 1.179) 1.263 14.173 ( -1.367 -1.012 0.008) 1.701 14.173 ( 1.367 -1.012 0.008) 1.701 14.509 ( -1.334 2.943 2.400) 4.025 14.509 ( 1.334 2.943 2.400) 4.025 14.550 ( -1.877 -0.086 -0.976) 2.117 14.550 ( 1.877 -0.086 -0.976) 2.117 14.575 ( -3.757 0.066 0.085) 3.758 14.575 ( 3.757 0.066 0.085) 3.758 14.593 ( -1.616 -2.199 -2.354) 3.604 14.593 ( 1.616 -2.199 -2.354) 3.604 14.865 ( -7.692 4.162 1.880) 8.945 14.865 ( 7.692 4.162 1.880) 8.945 14.909 ( -5.031 4.278 -2.530) 7.072 14.909 ( 5.031 4.278 -2.530) 7.072 14.976 ( -7.759 -4.021 2.119) 8.992 14.976 ( 7.759 -4.021 2.119) 8.992 15.020 ( -6.853 -4.098 -2.395) 8.336 15.020 ( 6.853 -4.098 -2.395) 8.336 15.479 ( -0.929 2.297 4.315) 4.976 15.479 ( 0.929 2.297 4.315) 4.976 15.499 ( -0.696 1.107 2.975) 3.250 15.499 ( 0.696 1.107 2.975) 3.250 15.611 ( -1.226 -1.124 -1.485) 2.230 15.611 ( 1.226 -1.124 -1.485) 2.230 15.648 ( -2.900 -3.669 -4.304) 6.356 15.648 ( 2.900 -3.669 -4.304) 6.356 =================== 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 3/24000 10.0 12268.751 4339.570 14908.471 0.000 0.000 0.000 3/24000 20.0 4838.033 4917.021 5733.122 0.000 0.000 0.000 3/24000 30.0 1930.819 2075.520 2318.181 0.000 0.000 0.000 3/24000 40.0 1030.401 1071.609 1194.456 0.000 0.000 0.000 3/24000 50.0 634.964 642.258 713.765 0.000 0.000 0.000 3/24000 60.0 425.274 420.814 466.382 0.000 0.000 0.000 3/24000 70.0 302.940 294.283 325.735 0.000 0.000 0.000 3/24000 80.0 226.839 216.935 240.033 0.000 0.000 0.000 3/24000 90.0 176.956 167.016 184.787 0.000 0.000 0.000 3/24000 100.0 142.761 133.264 147.432 0.000 0.000 0.000 3/24000 110.0 118.399 109.506 121.124 0.000 0.000 0.000 3/24000 120.0 100.457 92.192 101.938 0.000 0.000 0.000 3/24000 130.0 86.859 79.190 87.521 0.000 0.000 0.000 3/24000 140.0 76.295 69.168 76.405 0.000 0.000 0.000 3/24000 150.0 67.910 61.267 67.639 0.000 0.000 0.000 3/24000 160.0 61.128 54.915 60.591 0.000 0.000 0.000 3/24000 170.0 55.550 49.718 54.826 0.000 0.000 0.000 3/24000 180.0 50.895 45.401 50.038 0.000 0.000 0.000 3/24000 190.0 46.960 41.767 46.009 0.000 0.000 0.000 3/24000 200.0 43.595 38.671 42.579 0.000 0.000 0.000 3/24000 210.0 40.687 36.005 39.626 0.000 0.000 0.000 3/24000 220.0 38.151 33.688 37.060 0.000 0.000 0.000 3/24000 230.0 35.920 31.656 34.811 0.000 0.000 0.000 3/24000 240.0 33.944 29.861 32.826 0.000 0.000 0.000 3/24000 250.0 32.182 28.264 31.060 0.000 0.000 0.000 3/24000 260.0 30.600 26.834 29.480 0.000 0.000 0.000 3/24000 270.0 29.173 25.547 28.059 0.000 0.000 0.000 3/24000 280.0 27.878 24.381 26.772 0.000 0.000 0.000 3/24000 290.0 26.697 23.322 25.603 0.000 0.000 0.000 3/24000 300.0 25.617 22.354 24.535 0.000 0.000 0.000 3/24000 310.0 24.625 21.466 23.556 0.000 0.000 0.000 3/24000 320.0 23.710 20.649 22.655 0.000 0.000 0.000 3/24000 330.0 22.863 19.894 21.824 0.000 0.000 0.000 3/24000 340.0 22.077 19.195 21.053 0.000 0.000 0.000 3/24000 350.0 21.346 18.545 20.338 0.000 0.000 0.000 3/24000 360.0 20.663 17.940 19.671 0.000 0.000 0.000 3/24000 370.0 20.025 17.374 19.049 0.000 0.000 0.000 3/24000 380.0 19.427 16.844 18.466 0.000 0.000 0.000 3/24000 390.0 18.864 16.347 17.919 0.000 0.000 0.000 3/24000 400.0 18.335 15.880 17.405 0.000 0.000 0.000 3/24000 410.0 17.835 15.439 16.921 0.000 0.000 0.000 3/24000 420.0 17.363 15.024 16.464 0.000 0.000 0.000 3/24000 430.0 16.916 14.631 16.031 0.000 0.000 0.000 3/24000 440.0 16.493 14.258 15.622 0.000 0.000 0.000 3/24000 450.0 16.091 13.905 15.234 0.000 0.000 0.000 3/24000 460.0 15.708 13.570 14.866 0.000 0.000 0.000 3/24000 470.0 15.344 13.250 14.515 0.000 0.000 0.000 3/24000 480.0 14.997 12.946 14.181 0.000 0.000 0.000 3/24000 490.0 14.666 12.657 13.863 0.000 0.000 0.000 3/24000 500.0 14.350 12.380 13.559 0.000 0.000 0.000 3/24000 510.0 14.047 12.115 13.269 0.000 0.000 0.000 3/24000 520.0 13.757 11.862 12.991 0.000 0.000 0.000 3/24000 530.0 13.479 11.620 12.725 0.000 0.000 0.000 3/24000 540.0 13.213 11.387 12.470 0.000 0.000 0.000 3/24000 550.0 12.957 11.164 12.225 0.000 0.000 0.000 3/24000 560.0 12.711 10.950 11.990 0.000 0.000 0.000 3/24000 570.0 12.475 10.744 11.764 0.000 0.000 0.000 3/24000 580.0 12.247 10.546 11.546 0.000 0.000 0.000 3/24000 590.0 12.028 10.355 11.337 0.000 0.000 0.000 3/24000 600.0 11.816 10.171 11.135 0.000 0.000 0.000 3/24000 610.0 11.612 9.994 10.941 0.000 0.000 0.000 3/24000 620.0 11.416 9.823 10.754 0.000 0.000 0.000 3/24000 630.0 11.225 9.658 10.572 0.000 0.000 0.000 3/24000 640.0 11.042 9.498 10.398 0.000 0.000 0.000 3/24000 650.0 10.864 9.344 10.228 0.000 0.000 0.000 3/24000 660.0 10.692 9.195 10.065 0.000 0.000 0.000 3/24000 670.0 10.525 9.050 9.907 0.000 0.000 0.000 3/24000 680.0 10.364 8.910 9.753 0.000 0.000 0.000 3/24000 690.0 10.208 8.775 9.605 0.000 0.000 0.000 3/24000 700.0 10.056 8.643 9.461 0.000 0.000 0.000 3/24000 710.0 9.909 8.516 9.321 0.000 0.000 0.000 3/24000 720.0 9.766 8.392 9.186 0.000 0.000 0.000 3/24000 730.0 9.627 8.272 9.054 0.000 0.000 0.000 3/24000 740.0 9.493 8.156 8.926 0.000 0.000 0.000 3/24000 750.0 9.362 8.042 8.802 0.000 0.000 0.000 3/24000 760.0 9.234 7.932 8.682 0.000 0.000 0.000 3/24000 770.0 9.111 7.825 8.564 0.000 0.000 0.000 3/24000 780.0 8.990 7.721 8.450 0.000 0.000 0.000 3/24000 790.0 8.873 7.620 8.339 0.000 0.000 0.000 3/24000 800.0 8.758 7.521 8.231 0.000 0.000 0.000 3/24000 810.0 8.647 7.425 8.125 0.000 0.000 0.000 3/24000 820.0 8.539 7.331 8.023 0.000 0.000 0.000 3/24000 830.0 8.433 7.240 7.923 0.000 0.000 0.000 3/24000 840.0 8.330 7.151 7.825 0.000 0.000 0.000 3/24000 850.0 8.229 7.064 7.730 0.000 0.000 0.000 3/24000 860.0 8.131 6.979 7.637 0.000 0.000 0.000 3/24000 870.0 8.035 6.896 7.547 0.000 0.000 0.000 3/24000 880.0 7.941 6.816 7.458 0.000 0.000 0.000 3/24000 890.0 7.850 6.737 7.372 0.000 0.000 0.000 3/24000 900.0 7.761 6.660 7.288 0.000 0.000 0.000 3/24000 910.0 7.673 6.584 7.205 0.000 0.000 0.000 3/24000 920.0 7.588 6.511 7.125 0.000 0.000 0.000 3/24000 930.0 7.505 6.439 7.046 0.000 0.000 0.000 3/24000 940.0 7.423 6.369 6.969 0.000 0.000 0.000 3/24000 950.0 7.343 6.300 6.894 0.000 0.000 0.000 3/24000 960.0 7.265 6.233 6.820 0.000 0.000 0.000 3/24000 970.0 7.189 6.167 6.748 0.000 0.000 0.000 3/24000 980.0 7.114 6.102 6.677 0.000 0.000 0.000 3/24000 990.0 7.041 6.039 6.608 0.000 0.000 0.000 3/24000 1000.0 6.969 5.977 6.540 0.000 0.000 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:24:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|