----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.007371560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): *1 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 *2 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 3 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 4 Al 0.50000000000000 0.66445893870520 0.75000000000000 26.982 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.33554106129480 0.25000000000000 26.982 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 *9 B 0.77815447858250 0.09483574184312 0.25270815397156 10.811 10 B 0.72184552141750 0.59483574184312 0.25270815397156 10.811 11 B 0.72184552141750 0.40516425815688 0.75270815397156 10.811 12 B 0.77815447858250 0.90516425815688 0.75270815397156 10.811 13 B 0.22184552141750 0.09483574184312 0.24729184602843 10.811 14 B 0.22184552141750 0.90516425815688 0.74729184602844 10.811 15 B 0.27815447858250 0.40516425815688 0.74729184602844 10.811 16 B 0.27815447858250 0.59483574184312 0.24729184602843 10.811 *17 Pb 0.56651437922619 0.17108300539637 0.54788198372905 207.200 18 Pb 0.43348562077381 0.82891699460363 0.45211801627095 207.200 19 Pb 0.43348562077381 0.17108300539637 0.95211801627095 207.200 20 Pb 0.93348562077381 0.67108300539637 0.54788198372905 207.200 21 Pb 0.56651437922619 0.82891699460363 0.04788198372905 207.200 22 Pb 0.06651437922619 0.32891699460363 0.45211801627095 207.200 23 Pb 0.93348562077381 0.32891699460363 0.04788198372905 207.200 24 Pb 0.06651437922619 0.67108300539637 0.95211801627095 207.200 *25 O 0.33130950528856 0.39070282692248 0.88754654898029 15.999 *26 O 0.67234829361945 0.19653273893289 0.31587936909812 15.999 27 O 0.83130950528856 0.10929717307752 0.11245345101971 15.999 28 O 0.66869049471144 0.60929717307752 0.11245345101971 15.999 *29 O 0.83460911199853 0.01728868592078 0.82995873192211 15.999 30 O 0.66869049471144 0.39070282692248 0.61245345101971 15.999 31 O 0.33130950528856 0.60929717307752 0.38754654898029 15.999 *32 O 0.39838196664261 0.65651357791975 0.92912984063956 15.999 33 O 0.89838196664261 0.84348642208025 0.07087015936044 15.999 34 O 0.83130950528856 0.89070282692248 0.61245345101971 15.999 35 O 0.82765170638055 0.69653273893289 0.31587936909812 15.999 36 O 0.10161803335739 0.15651357791975 0.92912984063956 15.999 37 O 0.66539088800147 0.51728868592078 0.82995873192211 15.999 38 O 0.32765170638055 0.80346726106711 0.68412063090188 15.999 39 O 0.17234829361945 0.69653273893289 0.18412063090188 15.999 40 O 0.17234829361945 0.30346726106712 0.68412063090188 15.999 41 O 0.32765170638055 0.19653273893289 0.18412063090188 15.999 42 O 0.10161803335739 0.84348642208025 0.42912984063956 15.999 43 O 0.67234829361945 0.80346726106711 0.81587936909812 15.999 44 O 0.66539088800147 0.48271131407922 0.32995873192211 15.999 45 O 0.60161803335739 0.34348642208025 0.07087015936044 15.999 46 O 0.83460911199853 0.98271131407922 0.32995873192211 15.999 47 O 0.33460911199853 0.51728868592078 0.67004126807789 15.999 48 O 0.33460911199853 0.48271131407922 0.17004126807789 15.999 49 O 0.16869049471144 0.10929717307752 0.38754654898029 15.999 50 O 0.82765170638055 0.30346726106712 0.81587936909812 15.999 51 O 0.16539088800147 0.98271131407922 0.17004126807789 15.999 52 O 0.60161803335739 0.65651357791975 0.57087015936044 15.999 53 O 0.89838196664261 0.15651357791975 0.57087015936044 15.999 54 O 0.16539088800147 0.01728868592078 0.67004126807789 15.999 55 O 0.16869049471144 0.89070282692248 0.88754654898029 15.999 56 O 0.39838196664261 0.34348642208025 0.42912984063956 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.007371560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): *1 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 1 *2 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 > 2 3 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 > 3 4 Al 0.50000000000000 0.66445893870520 0.75000000000000 26.982 > 4 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.33554106129480 0.25000000000000 26.982 > 6 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 7 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 8 *9 B 0.77815447858250 0.09483574184312 0.25270815397156 10.811 > 9 10 B 0.72184552141750 0.59483574184312 0.25270815397156 10.811 > 10 11 B 0.72184552141750 0.40516425815688 0.75270815397156 10.811 > 11 12 B 0.77815447858250 0.90516425815688 0.75270815397156 10.811 > 12 13 B 0.22184552141750 0.09483574184312 0.24729184602843 10.811 > 13 14 B 0.22184552141750 0.90516425815688 0.74729184602844 10.811 > 14 15 B 0.27815447858250 0.40516425815688 0.74729184602844 10.811 > 15 16 B 0.27815447858250 0.59483574184312 0.24729184602843 10.811 > 16 *17 Pb 0.56651437922619 0.17108300539637 0.54788198372905 207.200 > 17 18 Pb 0.43348562077381 0.82891699460363 0.45211801627095 207.200 > 18 19 Pb 0.43348562077381 0.17108300539637 0.95211801627095 207.200 > 19 20 Pb 0.93348562077381 0.67108300539637 0.54788198372905 207.200 > 20 21 Pb 0.56651437922619 0.82891699460363 0.04788198372905 207.200 > 21 22 Pb 0.06651437922619 0.32891699460363 0.45211801627095 207.200 > 22 23 Pb 0.93348562077381 0.32891699460363 0.04788198372905 207.200 > 23 24 Pb 0.06651437922619 0.67108300539637 0.95211801627095 207.200 > 24 *25 O 0.33130950528856 0.39070282692248 0.88754654898029 15.999 > 25 *26 O 0.67234829361945 0.19653273893289 0.31587936909812 15.999 > 26 27 O 0.83130950528856 0.10929717307752 0.11245345101971 15.999 > 27 28 O 0.66869049471144 0.60929717307752 0.11245345101971 15.999 > 28 *29 O 0.83460911199853 0.01728868592078 0.82995873192211 15.999 > 29 30 O 0.66869049471144 0.39070282692248 0.61245345101971 15.999 > 30 31 O 0.33130950528856 0.60929717307752 0.38754654898029 15.999 > 31 *32 O 0.39838196664261 0.65651357791975 0.92912984063956 15.999 > 32 33 O 0.89838196664261 0.84348642208025 0.07087015936044 15.999 > 33 34 O 0.83130950528856 0.89070282692248 0.61245345101971 15.999 > 34 35 O 0.82765170638055 0.69653273893289 0.31587936909812 15.999 > 35 36 O 0.10161803335739 0.15651357791975 0.92912984063956 15.999 > 36 37 O 0.66539088800147 0.51728868592078 0.82995873192211 15.999 > 37 38 O 0.32765170638055 0.80346726106711 0.68412063090188 15.999 > 38 39 O 0.17234829361945 0.69653273893289 0.18412063090188 15.999 > 39 40 O 0.17234829361945 0.30346726106712 0.68412063090188 15.999 > 40 41 O 0.32765170638055 0.19653273893289 0.18412063090188 15.999 > 41 42 O 0.10161803335739 0.84348642208025 0.42912984063956 15.999 > 42 43 O 0.67234829361945 0.80346726106711 0.81587936909812 15.999 > 43 44 O 0.66539088800147 0.48271131407922 0.32995873192211 15.999 > 44 45 O 0.60161803335739 0.34348642208025 0.07087015936044 15.999 > 45 46 O 0.83460911199853 0.98271131407922 0.32995873192211 15.999 > 46 47 O 0.33460911199853 0.51728868592078 0.67004126807789 15.999 > 47 48 O 0.33460911199853 0.48271131407922 0.17004126807789 15.999 > 48 49 O 0.16869049471144 0.10929717307752 0.38754654898029 15.999 > 49 50 O 0.82765170638055 0.30346726106712 0.81587936909812 15.999 > 50 51 O 0.16539088800147 0.98271131407922 0.17004126807789 15.999 > 51 52 O 0.60161803335739 0.65651357791975 0.57087015936044 15.999 > 52 53 O 0.89838196664261 0.15651357791975 0.57087015936044 15.999 > 53 54 O 0.16539088800147 0.01728868592078 0.67004126807789 15.999 > 54 55 O 0.16869049471144 0.89070282692248 0.88754654898029 15.999 > 55 56 O 0.39838196664261 0.34348642208025 0.42912984063956 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.014743120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): *1 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 1 2 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 1 *3 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 > 2 4 Al 0.50000000000000 0.16445893870520 0.75000000000000 26.982 > 2 5 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 > 3 6 Al 0.50000000000000 0.83554106129480 0.25000000000000 26.982 > 3 7 Al 0.25000000000000 0.66445893870520 0.75000000000000 26.982 > 4 8 Al 0.75000000000000 0.66445893870520 0.75000000000000 26.982 > 4 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 5 11 Al 0.25000000000000 0.33554106129480 0.25000000000000 26.982 > 6 12 Al 0.75000000000000 0.33554106129480 0.25000000000000 26.982 > 6 13 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 7 14 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 7 15 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 8 16 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 8 *17 B 0.38907723929125 0.09483574184312 0.25270815397156 10.811 > 9 18 B 0.88907723929125 0.09483574184312 0.25270815397156 10.811 > 9 19 B 0.36092276070875 0.59483574184312 0.25270815397156 10.811 > 10 20 B 0.86092276070875 0.59483574184312 0.25270815397156 10.811 > 10 21 B 0.36092276070875 0.40516425815688 0.75270815397156 10.811 > 11 22 B 0.86092276070875 0.40516425815688 0.75270815397156 10.811 > 11 23 B 0.38907723929125 0.90516425815688 0.75270815397156 10.811 > 12 24 B 0.88907723929125 0.90516425815688 0.75270815397156 10.811 > 12 25 B 0.11092276070875 0.09483574184312 0.24729184602843 10.811 > 13 26 B 0.61092276070875 0.09483574184312 0.24729184602843 10.811 > 13 27 B 0.11092276070875 0.90516425815688 0.74729184602844 10.811 > 14 28 B 0.61092276070875 0.90516425815688 0.74729184602844 10.811 > 14 29 B 0.13907723929125 0.40516425815688 0.74729184602844 10.811 > 15 30 B 0.63907723929125 0.40516425815688 0.74729184602844 10.811 > 15 31 B 0.13907723929125 0.59483574184312 0.24729184602843 10.811 > 16 32 B 0.63907723929125 0.59483574184312 0.24729184602843 10.811 > 16 *33 Pb 0.28325718961309 0.17108300539637 0.54788198372905 207.200 > 17 34 Pb 0.78325718961309 0.17108300539637 0.54788198372905 207.200 > 17 35 Pb 0.21674281038690 0.82891699460363 0.45211801627095 207.200 > 18 36 Pb 0.71674281038691 0.82891699460363 0.45211801627095 207.200 > 18 37 Pb 0.21674281038690 0.17108300539637 0.95211801627095 207.200 > 19 38 Pb 0.71674281038691 0.17108300539637 0.95211801627095 207.200 > 19 39 Pb 0.46674281038691 0.67108300539637 0.54788198372905 207.200 > 20 40 Pb 0.96674281038691 0.67108300539637 0.54788198372905 207.200 > 20 41 Pb 0.28325718961309 0.82891699460363 0.04788198372905 207.200 > 21 42 Pb 0.78325718961309 0.82891699460363 0.04788198372905 207.200 > 21 43 Pb 0.03325718961309 0.32891699460363 0.45211801627095 207.200 > 22 44 Pb 0.53325718961309 0.32891699460363 0.45211801627095 207.200 > 22 45 Pb 0.46674281038691 0.32891699460363 0.04788198372905 207.200 > 23 46 Pb 0.96674281038691 0.32891699460363 0.04788198372905 207.200 > 23 47 Pb 0.03325718961309 0.67108300539637 0.95211801627095 207.200 > 24 48 Pb 0.53325718961309 0.67108300539637 0.95211801627095 207.200 > 24 *49 O 0.16565475264428 0.39070282692248 0.88754654898029 15.999 > 25 50 O 0.66565475264428 0.39070282692248 0.88754654898029 15.999 > 25 *51 O 0.33617414680972 0.19653273893289 0.31587936909812 15.999 > 26 52 O 0.83617414680972 0.19653273893289 0.31587936909812 15.999 > 26 53 O 0.41565475264428 0.10929717307752 0.11245345101971 15.999 > 27 54 O 0.91565475264428 0.10929717307752 0.11245345101971 15.999 > 27 55 O 0.33434524735572 0.60929717307752 0.11245345101971 15.999 > 28 56 O 0.83434524735572 0.60929717307752 0.11245345101971 15.999 > 28 *57 O 0.41730455599927 0.01728868592078 0.82995873192211 15.999 > 29 58 O 0.91730455599927 0.01728868592078 0.82995873192211 15.999 > 29 59 O 0.33434524735572 0.39070282692248 0.61245345101971 15.999 > 30 60 O 0.83434524735572 0.39070282692248 0.61245345101971 15.999 > 30 61 O 0.16565475264428 0.60929717307752 0.38754654898029 15.999 > 31 62 O 0.66565475264428 0.60929717307752 0.38754654898029 15.999 > 31 *63 O 0.19919098332130 0.65651357791975 0.92912984063956 15.999 > 32 64 O 0.69919098332130 0.65651357791975 0.92912984063956 15.999 > 32 65 O 0.44919098332130 0.84348642208025 0.07087015936044 15.999 > 33 66 O 0.94919098332130 0.84348642208025 0.07087015936044 15.999 > 33 67 O 0.41565475264428 0.89070282692248 0.61245345101971 15.999 > 34 68 O 0.91565475264428 0.89070282692248 0.61245345101971 15.999 > 34 69 O 0.41382585319028 0.69653273893289 0.31587936909812 15.999 > 35 70 O 0.91382585319028 0.69653273893289 0.31587936909812 15.999 > 35 71 O 0.05080901667870 0.15651357791975 0.92912984063956 15.999 > 36 72 O 0.55080901667870 0.15651357791975 0.92912984063956 15.999 > 36 73 O 0.33269544400073 0.51728868592078 0.82995873192211 15.999 > 37 74 O 0.83269544400073 0.51728868592078 0.82995873192211 15.999 > 37 75 O 0.16382585319028 0.80346726106711 0.68412063090188 15.999 > 38 76 O 0.66382585319028 0.80346726106711 0.68412063090188 15.999 > 38 77 O 0.08617414680972 0.69653273893289 0.18412063090188 15.999 > 39 78 O 0.58617414680972 0.69653273893289 0.18412063090188 15.999 > 39 79 O 0.08617414680972 0.30346726106712 0.68412063090188 15.999 > 40 80 O 0.58617414680972 0.30346726106712 0.68412063090188 15.999 > 40 81 O 0.16382585319028 0.19653273893289 0.18412063090188 15.999 > 41 82 O 0.66382585319028 0.19653273893289 0.18412063090188 15.999 > 41 83 O 0.05080901667870 0.84348642208025 0.42912984063956 15.999 > 42 84 O 0.55080901667870 0.84348642208025 0.42912984063956 15.999 > 42 85 O 0.33617414680972 0.80346726106711 0.81587936909812 15.999 > 43 86 O 0.83617414680972 0.80346726106711 0.81587936909812 15.999 > 43 87 O 0.33269544400073 0.48271131407922 0.32995873192211 15.999 > 44 88 O 0.83269544400073 0.48271131407922 0.32995873192211 15.999 > 44 89 O 0.30080901667870 0.34348642208025 0.07087015936044 15.999 > 45 90 O 0.80080901667870 0.34348642208025 0.07087015936044 15.999 > 45 91 O 0.41730455599927 0.98271131407922 0.32995873192211 15.999 > 46 92 O 0.91730455599927 0.98271131407922 0.32995873192211 15.999 > 46 93 O 0.16730455599927 0.51728868592078 0.67004126807789 15.999 > 47 94 O 0.66730455599927 0.51728868592078 0.67004126807789 15.999 > 47 95 O 0.16730455599927 0.48271131407922 0.17004126807789 15.999 > 48 96 O 0.66730455599927 0.48271131407922 0.17004126807789 15.999 > 48 97 O 0.08434524735572 0.10929717307752 0.38754654898029 15.999 > 49 98 O 0.58434524735572 0.10929717307752 0.38754654898029 15.999 > 49 99 O 0.41382585319028 0.30346726106712 0.81587936909812 15.999 > 50 100 O 0.91382585319028 0.30346726106712 0.81587936909812 15.999 > 50 101 O 0.08269544400073 0.98271131407922 0.17004126807789 15.999 > 51 102 O 0.58269544400073 0.98271131407922 0.17004126807789 15.999 > 51 103 O 0.30080901667870 0.65651357791975 0.57087015936044 15.999 > 52 104 O 0.80080901667870 0.65651357791975 0.57087015936044 15.999 > 52 105 O 0.44919098332130 0.15651357791975 0.57087015936044 15.999 > 53 106 O 0.94919098332130 0.15651357791975 0.57087015936044 15.999 > 53 107 O 0.08269544400073 0.01728868592078 0.67004126807789 15.999 > 54 108 O 0.58269544400073 0.01728868592078 0.67004126807789 15.999 > 54 109 O 0.08434524735572 0.89070282692248 0.88754654898029 15.999 > 55 110 O 0.58434524735572 0.89070282692248 0.88754654898029 15.999 > 55 111 O 0.19919098332130 0.34348642208025 0.42912984063956 15.999 > 56 112 O 0.69919098332130 0.34348642208025 0.42912984063956 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0093014 0.0000000 0.0000000 0.0000000 4.4344338 0.0000000 0.0000000 0.0000000 4.2435060 -------------------------- Born effective charges -------------------------- 1 Al 2.6747958 -0.0535121 -0.0334814 -0.0587982 3.3588205 0.3284327 -0.1589628 0.2860621 3.1201601 2 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 3 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 4 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 5 Al 2.6747958 0.0535121 0.0334814 0.0587982 3.3588205 0.3284327 0.1589628 0.2860621 3.1201601 6 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 7 Al 2.6747958 0.0535121 -0.0334814 0.0587982 3.3588205 -0.3284327 -0.1589628 -0.2860621 3.1201601 8 Al 2.6747958 -0.0535121 0.0334814 -0.0587982 3.3588205 -0.3284327 0.1589628 -0.2860621 3.1201601 9 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 10 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 11 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 12 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 13 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 14 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 15 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 16 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 17 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 18 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 19 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 20 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 21 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 22 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 23 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 24 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 25 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 26 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 27 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 28 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 29 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 30 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 31 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 32 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 33 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 34 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 35 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 36 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 37 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 38 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 39 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 40 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 41 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 42 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 43 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 44 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 45 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 46 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 47 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 48 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 49 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 50 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 51 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 52 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 53 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 54 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 55 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 56 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3664 Number of blocks in projector: 3664 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: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 436 Use standard eigh solver. Tree of FC basis block matrices: - (3664, 3596), data: False |-- (436, 428), data: True |-- (436, 428), data: True |-- (436, 428), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (788, 772), data: False |-- (788, 12), data: (788, 28) @ (28, 12) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 880 - Time: 3.517 Solver_block: 200 / 880 - Time: 1.351 Solver_block: 300 / 880 - Time: 2.101 Solver_block: 400 / 880 - Time: 2.204 Solver_block: 500 / 880 - Time: 2.234 Solver_block: 600 / 880 - Time: 2.145 Solver_block: 700 / 880 - Time: 2.072 Solver_block: 800 / 880 - Time: 1.679 Solver_block: 880 / 880 - Time: 1.853 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.984 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3664 Number of blocks in projector: 3664 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: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 788 / 788 (1) 276 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 436 Use standard eigh solver. Tree of FC basis block matrices: - (3664, 3596), data: False |-- (436, 428), data: True |-- (436, 428), data: True |-- (436, 428), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (788, 772), data: False |-- (788, 12), data: (788, 28) @ (28, 12) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:57:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:57:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.007371560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): 1 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 2 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 3 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 4 Al 0.50000000000000 0.66445893870520 0.75000000000000 26.982 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.33554106129480 0.25000000000000 26.982 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 9 B 0.77815447858250 0.09483574184312 0.25270815397156 10.811 10 B 0.72184552141750 0.59483574184312 0.25270815397156 10.811 11 B 0.72184552141750 0.40516425815688 0.75270815397156 10.811 12 B 0.77815447858250 0.90516425815688 0.75270815397156 10.811 13 B 0.22184552141750 0.09483574184312 0.24729184602843 10.811 14 B 0.22184552141750 0.90516425815688 0.74729184602844 10.811 15 B 0.27815447858250 0.40516425815688 0.74729184602844 10.811 16 B 0.27815447858250 0.59483574184312 0.24729184602843 10.811 17 Pb 0.56651437922619 0.17108300539637 0.54788198372905 207.200 18 Pb 0.43348562077381 0.82891699460363 0.45211801627095 207.200 19 Pb 0.43348562077381 0.17108300539637 0.95211801627095 207.200 20 Pb 0.93348562077381 0.67108300539637 0.54788198372905 207.200 21 Pb 0.56651437922619 0.82891699460363 0.04788198372905 207.200 22 Pb 0.06651437922619 0.32891699460363 0.45211801627095 207.200 23 Pb 0.93348562077381 0.32891699460363 0.04788198372905 207.200 24 Pb 0.06651437922619 0.67108300539637 0.95211801627095 207.200 25 O 0.33130950528856 0.39070282692248 0.88754654898029 15.999 26 O 0.67234829361945 0.19653273893289 0.31587936909812 15.999 27 O 0.83130950528856 0.10929717307752 0.11245345101971 15.999 28 O 0.66869049471144 0.60929717307752 0.11245345101971 15.999 29 O 0.83460911199853 0.01728868592078 0.82995873192211 15.999 30 O 0.66869049471144 0.39070282692248 0.61245345101971 15.999 31 O 0.33130950528856 0.60929717307752 0.38754654898029 15.999 32 O 0.39838196664261 0.65651357791975 0.92912984063956 15.999 33 O 0.89838196664261 0.84348642208025 0.07087015936044 15.999 34 O 0.83130950528856 0.89070282692248 0.61245345101971 15.999 35 O 0.82765170638055 0.69653273893289 0.31587936909812 15.999 36 O 0.10161803335739 0.15651357791975 0.92912984063956 15.999 37 O 0.66539088800147 0.51728868592078 0.82995873192211 15.999 38 O 0.32765170638055 0.80346726106711 0.68412063090188 15.999 39 O 0.17234829361945 0.69653273893289 0.18412063090188 15.999 40 O 0.17234829361945 0.30346726106712 0.68412063090188 15.999 41 O 0.32765170638055 0.19653273893289 0.18412063090188 15.999 42 O 0.10161803335739 0.84348642208025 0.42912984063956 15.999 43 O 0.67234829361945 0.80346726106711 0.81587936909812 15.999 44 O 0.66539088800147 0.48271131407922 0.32995873192211 15.999 45 O 0.60161803335739 0.34348642208025 0.07087015936044 15.999 46 O 0.83460911199853 0.98271131407922 0.32995873192211 15.999 47 O 0.33460911199853 0.51728868592078 0.67004126807789 15.999 48 O 0.33460911199853 0.48271131407922 0.17004126807789 15.999 49 O 0.16869049471144 0.10929717307752 0.38754654898029 15.999 50 O 0.82765170638055 0.30346726106712 0.81587936909812 15.999 51 O 0.16539088800147 0.98271131407922 0.17004126807789 15.999 52 O 0.60161803335739 0.65651357791975 0.57087015936044 15.999 53 O 0.89838196664261 0.15651357791975 0.57087015936044 15.999 54 O 0.16539088800147 0.01728868592078 0.67004126807789 15.999 55 O 0.16869049471144 0.89070282692248 0.88754654898029 15.999 56 O 0.39838196664261 0.34348642208025 0.42912984063956 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.014743120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): 1 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 1 2 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 1 3 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 > 3 4 Al 0.50000000000000 0.16445893870520 0.75000000000000 26.982 > 3 5 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 > 5 6 Al 0.50000000000000 0.83554106129480 0.25000000000000 26.982 > 5 7 Al 0.25000000000000 0.66445893870520 0.75000000000000 26.982 > 7 8 Al 0.75000000000000 0.66445893870520 0.75000000000000 26.982 > 7 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 11 Al 0.25000000000000 0.33554106129480 0.25000000000000 26.982 > 11 12 Al 0.75000000000000 0.33554106129480 0.25000000000000 26.982 > 11 13 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 13 14 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 13 15 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 15 16 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 15 17 B 0.38907723929125 0.09483574184312 0.25270815397156 10.811 > 17 18 B 0.88907723929125 0.09483574184312 0.25270815397156 10.811 > 17 19 B 0.36092276070875 0.59483574184312 0.25270815397156 10.811 > 19 20 B 0.86092276070875 0.59483574184312 0.25270815397156 10.811 > 19 21 B 0.36092276070875 0.40516425815688 0.75270815397156 10.811 > 21 22 B 0.86092276070875 0.40516425815688 0.75270815397156 10.811 > 21 23 B 0.38907723929125 0.90516425815688 0.75270815397156 10.811 > 23 24 B 0.88907723929125 0.90516425815688 0.75270815397156 10.811 > 23 25 B 0.11092276070875 0.09483574184312 0.24729184602843 10.811 > 25 26 B 0.61092276070875 0.09483574184312 0.24729184602843 10.811 > 25 27 B 0.11092276070875 0.90516425815688 0.74729184602844 10.811 > 27 28 B 0.61092276070875 0.90516425815688 0.74729184602844 10.811 > 27 29 B 0.13907723929125 0.40516425815688 0.74729184602844 10.811 > 29 30 B 0.63907723929125 0.40516425815688 0.74729184602844 10.811 > 29 31 B 0.13907723929125 0.59483574184312 0.24729184602843 10.811 > 31 32 B 0.63907723929125 0.59483574184312 0.24729184602843 10.811 > 31 33 Pb 0.28325718961309 0.17108300539637 0.54788198372905 207.200 > 33 34 Pb 0.78325718961309 0.17108300539637 0.54788198372905 207.200 > 33 35 Pb 0.21674281038690 0.82891699460363 0.45211801627095 207.200 > 35 36 Pb 0.71674281038691 0.82891699460363 0.45211801627095 207.200 > 35 37 Pb 0.21674281038690 0.17108300539637 0.95211801627095 207.200 > 37 38 Pb 0.71674281038691 0.17108300539637 0.95211801627095 207.200 > 37 39 Pb 0.46674281038691 0.67108300539637 0.54788198372905 207.200 > 39 40 Pb 0.96674281038691 0.67108300539637 0.54788198372905 207.200 > 39 41 Pb 0.28325718961309 0.82891699460363 0.04788198372905 207.200 > 41 42 Pb 0.78325718961309 0.82891699460363 0.04788198372905 207.200 > 41 43 Pb 0.03325718961309 0.32891699460363 0.45211801627095 207.200 > 43 44 Pb 0.53325718961309 0.32891699460363 0.45211801627095 207.200 > 43 45 Pb 0.46674281038691 0.32891699460363 0.04788198372905 207.200 > 45 46 Pb 0.96674281038691 0.32891699460363 0.04788198372905 207.200 > 45 47 Pb 0.03325718961309 0.67108300539637 0.95211801627095 207.200 > 47 48 Pb 0.53325718961309 0.67108300539637 0.95211801627095 207.200 > 47 49 O 0.16565475264428 0.39070282692248 0.88754654898029 15.999 > 49 50 O 0.66565475264428 0.39070282692248 0.88754654898029 15.999 > 49 51 O 0.33617414680972 0.19653273893289 0.31587936909812 15.999 > 51 52 O 0.83617414680972 0.19653273893289 0.31587936909812 15.999 > 51 53 O 0.41565475264428 0.10929717307752 0.11245345101971 15.999 > 53 54 O 0.91565475264428 0.10929717307752 0.11245345101971 15.999 > 53 55 O 0.33434524735572 0.60929717307752 0.11245345101971 15.999 > 55 56 O 0.83434524735572 0.60929717307752 0.11245345101971 15.999 > 55 57 O 0.41730455599927 0.01728868592078 0.82995873192211 15.999 > 57 58 O 0.91730455599927 0.01728868592078 0.82995873192211 15.999 > 57 59 O 0.33434524735572 0.39070282692248 0.61245345101971 15.999 > 59 60 O 0.83434524735572 0.39070282692248 0.61245345101971 15.999 > 59 61 O 0.16565475264428 0.60929717307752 0.38754654898029 15.999 > 61 62 O 0.66565475264428 0.60929717307752 0.38754654898029 15.999 > 61 63 O 0.19919098332130 0.65651357791975 0.92912984063956 15.999 > 63 64 O 0.69919098332130 0.65651357791975 0.92912984063956 15.999 > 63 65 O 0.44919098332130 0.84348642208025 0.07087015936044 15.999 > 65 66 O 0.94919098332130 0.84348642208025 0.07087015936044 15.999 > 65 67 O 0.41565475264428 0.89070282692248 0.61245345101971 15.999 > 67 68 O 0.91565475264428 0.89070282692248 0.61245345101971 15.999 > 67 69 O 0.41382585319028 0.69653273893289 0.31587936909812 15.999 > 69 70 O 0.91382585319028 0.69653273893289 0.31587936909812 15.999 > 69 71 O 0.05080901667870 0.15651357791975 0.92912984063956 15.999 > 71 72 O 0.55080901667870 0.15651357791975 0.92912984063956 15.999 > 71 73 O 0.33269544400073 0.51728868592078 0.82995873192211 15.999 > 73 74 O 0.83269544400073 0.51728868592078 0.82995873192211 15.999 > 73 75 O 0.16382585319028 0.80346726106711 0.68412063090188 15.999 > 75 76 O 0.66382585319028 0.80346726106711 0.68412063090188 15.999 > 75 77 O 0.08617414680972 0.69653273893289 0.18412063090188 15.999 > 77 78 O 0.58617414680972 0.69653273893289 0.18412063090188 15.999 > 77 79 O 0.08617414680972 0.30346726106712 0.68412063090188 15.999 > 79 80 O 0.58617414680972 0.30346726106712 0.68412063090188 15.999 > 79 81 O 0.16382585319028 0.19653273893289 0.18412063090188 15.999 > 81 82 O 0.66382585319028 0.19653273893289 0.18412063090188 15.999 > 81 83 O 0.05080901667870 0.84348642208025 0.42912984063956 15.999 > 83 84 O 0.55080901667870 0.84348642208025 0.42912984063956 15.999 > 83 85 O 0.33617414680972 0.80346726106711 0.81587936909812 15.999 > 85 86 O 0.83617414680972 0.80346726106711 0.81587936909812 15.999 > 85 87 O 0.33269544400073 0.48271131407922 0.32995873192211 15.999 > 87 88 O 0.83269544400073 0.48271131407922 0.32995873192211 15.999 > 87 89 O 0.30080901667870 0.34348642208025 0.07087015936044 15.999 > 89 90 O 0.80080901667870 0.34348642208025 0.07087015936044 15.999 > 89 91 O 0.41730455599927 0.98271131407922 0.32995873192211 15.999 > 91 92 O 0.91730455599927 0.98271131407922 0.32995873192211 15.999 > 91 93 O 0.16730455599927 0.51728868592078 0.67004126807789 15.999 > 93 94 O 0.66730455599927 0.51728868592078 0.67004126807789 15.999 > 93 95 O 0.16730455599927 0.48271131407922 0.17004126807789 15.999 > 95 96 O 0.66730455599927 0.48271131407922 0.17004126807789 15.999 > 95 97 O 0.08434524735572 0.10929717307752 0.38754654898029 15.999 > 97 98 O 0.58434524735572 0.10929717307752 0.38754654898029 15.999 > 97 99 O 0.41382585319028 0.30346726106712 0.81587936909812 15.999 > 99 100 O 0.91382585319028 0.30346726106712 0.81587936909812 15.999 > 99 101 O 0.08269544400073 0.98271131407922 0.17004126807789 15.999 > 101 102 O 0.58269544400073 0.98271131407922 0.17004126807789 15.999 > 101 103 O 0.30080901667870 0.65651357791975 0.57087015936044 15.999 > 103 104 O 0.80080901667870 0.65651357791975 0.57087015936044 15.999 > 103 105 O 0.44919098332130 0.15651357791975 0.57087015936044 15.999 > 105 106 O 0.94919098332130 0.15651357791975 0.57087015936044 15.999 > 105 107 O 0.08269544400073 0.01728868592078 0.67004126807789 15.999 > 107 108 O 0.58269544400073 0.01728868592078 0.67004126807789 15.999 > 107 109 O 0.08434524735572 0.89070282692248 0.88754654898029 15.999 > 109 110 O 0.58434524735572 0.89070282692248 0.88754654898029 15.999 > 109 111 O 0.19919098332130 0.34348642208025 0.42912984063956 15.999 > 111 112 O 0.69919098332130 0.34348642208025 0.42912984063956 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0093014 0.0000000 0.0000000 0.0000000 4.4344338 0.0000000 0.0000000 0.0000000 4.2435060 -------------------------- Born effective charges -------------------------- 1 Al 2.6747958 -0.0535121 -0.0334814 -0.0587982 3.3588205 0.3284327 -0.1589628 0.2860621 3.1201601 2 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 3 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 4 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 5 Al 2.6747958 0.0535121 0.0334814 0.0587982 3.3588205 0.3284327 0.1589628 0.2860621 3.1201601 6 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 7 Al 2.6747958 0.0535121 -0.0334814 0.0587982 3.3588205 -0.3284327 -0.1589628 -0.2860621 3.1201601 8 Al 2.6747958 -0.0535121 0.0334814 -0.0587982 3.3588205 -0.3284327 0.1589628 -0.2860621 3.1201601 9 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 10 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 11 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 12 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 13 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 14 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 15 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 16 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 17 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 18 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 19 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 20 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 21 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 22 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 23 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 24 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 25 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 26 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 27 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 28 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 29 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 30 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 31 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 32 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 33 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 34 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 35 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 36 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 37 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 38 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 39 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 40 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 41 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 42 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 43 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 44 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 45 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 46 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 47 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 48 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 49 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 50 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 51 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 52 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 53 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 54 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 55 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 56 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 ---------------------------------------------------------------------------- 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[ 3, 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[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 13:57:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:58:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.007371560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): 1 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 2 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 3 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 4 Al 0.50000000000000 0.66445893870520 0.75000000000000 26.982 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.33554106129480 0.25000000000000 26.982 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 9 B 0.77815447858250 0.09483574184312 0.25270815397156 10.811 10 B 0.72184552141750 0.59483574184312 0.25270815397156 10.811 11 B 0.72184552141750 0.40516425815688 0.75270815397156 10.811 12 B 0.77815447858250 0.90516425815688 0.75270815397156 10.811 13 B 0.22184552141750 0.09483574184312 0.24729184602843 10.811 14 B 0.22184552141750 0.90516425815688 0.74729184602844 10.811 15 B 0.27815447858250 0.40516425815688 0.74729184602844 10.811 16 B 0.27815447858250 0.59483574184312 0.24729184602843 10.811 17 Pb 0.56651437922619 0.17108300539637 0.54788198372905 207.200 18 Pb 0.43348562077381 0.82891699460363 0.45211801627095 207.200 19 Pb 0.43348562077381 0.17108300539637 0.95211801627095 207.200 20 Pb 0.93348562077381 0.67108300539637 0.54788198372905 207.200 21 Pb 0.56651437922619 0.82891699460363 0.04788198372905 207.200 22 Pb 0.06651437922619 0.32891699460363 0.45211801627095 207.200 23 Pb 0.93348562077381 0.32891699460363 0.04788198372905 207.200 24 Pb 0.06651437922619 0.67108300539637 0.95211801627095 207.200 25 O 0.33130950528856 0.39070282692248 0.88754654898029 15.999 26 O 0.67234829361945 0.19653273893289 0.31587936909812 15.999 27 O 0.83130950528856 0.10929717307752 0.11245345101971 15.999 28 O 0.66869049471144 0.60929717307752 0.11245345101971 15.999 29 O 0.83460911199853 0.01728868592078 0.82995873192211 15.999 30 O 0.66869049471144 0.39070282692248 0.61245345101971 15.999 31 O 0.33130950528856 0.60929717307752 0.38754654898029 15.999 32 O 0.39838196664261 0.65651357791975 0.92912984063956 15.999 33 O 0.89838196664261 0.84348642208025 0.07087015936044 15.999 34 O 0.83130950528856 0.89070282692248 0.61245345101971 15.999 35 O 0.82765170638055 0.69653273893289 0.31587936909812 15.999 36 O 0.10161803335739 0.15651357791975 0.92912984063956 15.999 37 O 0.66539088800147 0.51728868592078 0.82995873192211 15.999 38 O 0.32765170638055 0.80346726106711 0.68412063090188 15.999 39 O 0.17234829361945 0.69653273893289 0.18412063090188 15.999 40 O 0.17234829361945 0.30346726106712 0.68412063090188 15.999 41 O 0.32765170638055 0.19653273893289 0.18412063090188 15.999 42 O 0.10161803335739 0.84348642208025 0.42912984063956 15.999 43 O 0.67234829361945 0.80346726106711 0.81587936909812 15.999 44 O 0.66539088800147 0.48271131407922 0.32995873192211 15.999 45 O 0.60161803335739 0.34348642208025 0.07087015936044 15.999 46 O 0.83460911199853 0.98271131407922 0.32995873192211 15.999 47 O 0.33460911199853 0.51728868592078 0.67004126807789 15.999 48 O 0.33460911199853 0.48271131407922 0.17004126807789 15.999 49 O 0.16869049471144 0.10929717307752 0.38754654898029 15.999 50 O 0.82765170638055 0.30346726106712 0.81587936909812 15.999 51 O 0.16539088800147 0.98271131407922 0.17004126807789 15.999 52 O 0.60161803335739 0.65651357791975 0.57087015936044 15.999 53 O 0.89838196664261 0.15651357791975 0.57087015936044 15.999 54 O 0.16539088800147 0.01728868592078 0.67004126807789 15.999 55 O 0.16869049471144 0.89070282692248 0.88754654898029 15.999 56 O 0.39838196664261 0.34348642208025 0.42912984063956 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.014743120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.890558700000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.440554629999999 Atomic positions (fractional): 1 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 1 2 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 1 3 Al 0.00000000000000 0.16445893870520 0.75000000000000 26.982 > 3 4 Al 0.50000000000000 0.16445893870520 0.75000000000000 26.982 > 3 5 Al 0.00000000000000 0.83554106129480 0.25000000000000 26.982 > 5 6 Al 0.50000000000000 0.83554106129480 0.25000000000000 26.982 > 5 7 Al 0.25000000000000 0.66445893870520 0.75000000000000 26.982 > 7 8 Al 0.75000000000000 0.66445893870520 0.75000000000000 26.982 > 7 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 11 Al 0.25000000000000 0.33554106129480 0.25000000000000 26.982 > 11 12 Al 0.75000000000000 0.33554106129480 0.25000000000000 26.982 > 11 13 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 13 14 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 13 15 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 15 16 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 15 17 B 0.38907723929125 0.09483574184312 0.25270815397156 10.811 > 17 18 B 0.88907723929125 0.09483574184312 0.25270815397156 10.811 > 17 19 B 0.36092276070875 0.59483574184312 0.25270815397156 10.811 > 19 20 B 0.86092276070875 0.59483574184312 0.25270815397156 10.811 > 19 21 B 0.36092276070875 0.40516425815688 0.75270815397156 10.811 > 21 22 B 0.86092276070875 0.40516425815688 0.75270815397156 10.811 > 21 23 B 0.38907723929125 0.90516425815688 0.75270815397156 10.811 > 23 24 B 0.88907723929125 0.90516425815688 0.75270815397156 10.811 > 23 25 B 0.11092276070875 0.09483574184312 0.24729184602843 10.811 > 25 26 B 0.61092276070875 0.09483574184312 0.24729184602843 10.811 > 25 27 B 0.11092276070875 0.90516425815688 0.74729184602844 10.811 > 27 28 B 0.61092276070875 0.90516425815688 0.74729184602844 10.811 > 27 29 B 0.13907723929125 0.40516425815688 0.74729184602844 10.811 > 29 30 B 0.63907723929125 0.40516425815688 0.74729184602844 10.811 > 29 31 B 0.13907723929125 0.59483574184312 0.24729184602843 10.811 > 31 32 B 0.63907723929125 0.59483574184312 0.24729184602843 10.811 > 31 33 Pb 0.28325718961309 0.17108300539637 0.54788198372905 207.200 > 33 34 Pb 0.78325718961309 0.17108300539637 0.54788198372905 207.200 > 33 35 Pb 0.21674281038690 0.82891699460363 0.45211801627095 207.200 > 35 36 Pb 0.71674281038691 0.82891699460363 0.45211801627095 207.200 > 35 37 Pb 0.21674281038690 0.17108300539637 0.95211801627095 207.200 > 37 38 Pb 0.71674281038691 0.17108300539637 0.95211801627095 207.200 > 37 39 Pb 0.46674281038691 0.67108300539637 0.54788198372905 207.200 > 39 40 Pb 0.96674281038691 0.67108300539637 0.54788198372905 207.200 > 39 41 Pb 0.28325718961309 0.82891699460363 0.04788198372905 207.200 > 41 42 Pb 0.78325718961309 0.82891699460363 0.04788198372905 207.200 > 41 43 Pb 0.03325718961309 0.32891699460363 0.45211801627095 207.200 > 43 44 Pb 0.53325718961309 0.32891699460363 0.45211801627095 207.200 > 43 45 Pb 0.46674281038691 0.32891699460363 0.04788198372905 207.200 > 45 46 Pb 0.96674281038691 0.32891699460363 0.04788198372905 207.200 > 45 47 Pb 0.03325718961309 0.67108300539637 0.95211801627095 207.200 > 47 48 Pb 0.53325718961309 0.67108300539637 0.95211801627095 207.200 > 47 49 O 0.16565475264428 0.39070282692248 0.88754654898029 15.999 > 49 50 O 0.66565475264428 0.39070282692248 0.88754654898029 15.999 > 49 51 O 0.33617414680972 0.19653273893289 0.31587936909812 15.999 > 51 52 O 0.83617414680972 0.19653273893289 0.31587936909812 15.999 > 51 53 O 0.41565475264428 0.10929717307752 0.11245345101971 15.999 > 53 54 O 0.91565475264428 0.10929717307752 0.11245345101971 15.999 > 53 55 O 0.33434524735572 0.60929717307752 0.11245345101971 15.999 > 55 56 O 0.83434524735572 0.60929717307752 0.11245345101971 15.999 > 55 57 O 0.41730455599927 0.01728868592078 0.82995873192211 15.999 > 57 58 O 0.91730455599927 0.01728868592078 0.82995873192211 15.999 > 57 59 O 0.33434524735572 0.39070282692248 0.61245345101971 15.999 > 59 60 O 0.83434524735572 0.39070282692248 0.61245345101971 15.999 > 59 61 O 0.16565475264428 0.60929717307752 0.38754654898029 15.999 > 61 62 O 0.66565475264428 0.60929717307752 0.38754654898029 15.999 > 61 63 O 0.19919098332130 0.65651357791975 0.92912984063956 15.999 > 63 64 O 0.69919098332130 0.65651357791975 0.92912984063956 15.999 > 63 65 O 0.44919098332130 0.84348642208025 0.07087015936044 15.999 > 65 66 O 0.94919098332130 0.84348642208025 0.07087015936044 15.999 > 65 67 O 0.41565475264428 0.89070282692248 0.61245345101971 15.999 > 67 68 O 0.91565475264428 0.89070282692248 0.61245345101971 15.999 > 67 69 O 0.41382585319028 0.69653273893289 0.31587936909812 15.999 > 69 70 O 0.91382585319028 0.69653273893289 0.31587936909812 15.999 > 69 71 O 0.05080901667870 0.15651357791975 0.92912984063956 15.999 > 71 72 O 0.55080901667870 0.15651357791975 0.92912984063956 15.999 > 71 73 O 0.33269544400073 0.51728868592078 0.82995873192211 15.999 > 73 74 O 0.83269544400073 0.51728868592078 0.82995873192211 15.999 > 73 75 O 0.16382585319028 0.80346726106711 0.68412063090188 15.999 > 75 76 O 0.66382585319028 0.80346726106711 0.68412063090188 15.999 > 75 77 O 0.08617414680972 0.69653273893289 0.18412063090188 15.999 > 77 78 O 0.58617414680972 0.69653273893289 0.18412063090188 15.999 > 77 79 O 0.08617414680972 0.30346726106712 0.68412063090188 15.999 > 79 80 O 0.58617414680972 0.30346726106712 0.68412063090188 15.999 > 79 81 O 0.16382585319028 0.19653273893289 0.18412063090188 15.999 > 81 82 O 0.66382585319028 0.19653273893289 0.18412063090188 15.999 > 81 83 O 0.05080901667870 0.84348642208025 0.42912984063956 15.999 > 83 84 O 0.55080901667870 0.84348642208025 0.42912984063956 15.999 > 83 85 O 0.33617414680972 0.80346726106711 0.81587936909812 15.999 > 85 86 O 0.83617414680972 0.80346726106711 0.81587936909812 15.999 > 85 87 O 0.33269544400073 0.48271131407922 0.32995873192211 15.999 > 87 88 O 0.83269544400073 0.48271131407922 0.32995873192211 15.999 > 87 89 O 0.30080901667870 0.34348642208025 0.07087015936044 15.999 > 89 90 O 0.80080901667870 0.34348642208025 0.07087015936044 15.999 > 89 91 O 0.41730455599927 0.98271131407922 0.32995873192211 15.999 > 91 92 O 0.91730455599927 0.98271131407922 0.32995873192211 15.999 > 91 93 O 0.16730455599927 0.51728868592078 0.67004126807789 15.999 > 93 94 O 0.66730455599927 0.51728868592078 0.67004126807789 15.999 > 93 95 O 0.16730455599927 0.48271131407922 0.17004126807789 15.999 > 95 96 O 0.66730455599927 0.48271131407922 0.17004126807789 15.999 > 95 97 O 0.08434524735572 0.10929717307752 0.38754654898029 15.999 > 97 98 O 0.58434524735572 0.10929717307752 0.38754654898029 15.999 > 97 99 O 0.41382585319028 0.30346726106712 0.81587936909812 15.999 > 99 100 O 0.91382585319028 0.30346726106712 0.81587936909812 15.999 > 99 101 O 0.08269544400073 0.98271131407922 0.17004126807789 15.999 > 101 102 O 0.58269544400073 0.98271131407922 0.17004126807789 15.999 > 101 103 O 0.30080901667870 0.65651357791975 0.57087015936044 15.999 > 103 104 O 0.80080901667870 0.65651357791975 0.57087015936044 15.999 > 103 105 O 0.44919098332130 0.15651357791975 0.57087015936044 15.999 > 105 106 O 0.94919098332130 0.15651357791975 0.57087015936044 15.999 > 105 107 O 0.08269544400073 0.01728868592078 0.67004126807789 15.999 > 107 108 O 0.58269544400073 0.01728868592078 0.67004126807789 15.999 > 107 109 O 0.08434524735572 0.89070282692248 0.88754654898029 15.999 > 109 110 O 0.58434524735572 0.89070282692248 0.88754654898029 15.999 > 109 111 O 0.19919098332130 0.34348642208025 0.42912984063956 15.999 > 111 112 O 0.69919098332130 0.34348642208025 0.42912984063956 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0093014 0.0000000 0.0000000 0.0000000 4.4344338 0.0000000 0.0000000 0.0000000 4.2435060 -------------------------- Born effective charges -------------------------- 1 Al 2.6747958 -0.0535121 -0.0334814 -0.0587982 3.3588205 0.3284327 -0.1589628 0.2860621 3.1201601 2 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 3 Al 2.7520903 -0.0000000 0.0228990 -0.0000000 3.2759356 0.0000000 -0.1159831 0.0000000 3.3048604 4 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 5 Al 2.6747958 0.0535121 0.0334814 0.0587982 3.3588205 0.3284327 0.1589628 0.2860621 3.1201601 6 Al 2.7520903 -0.0000000 -0.0228990 -0.0000000 3.2759356 0.0000000 0.1159831 0.0000000 3.3048604 7 Al 2.6747958 0.0535121 -0.0334814 0.0587982 3.3588205 -0.3284327 -0.1589628 -0.2860621 3.1201601 8 Al 2.6747958 -0.0535121 0.0334814 -0.0587982 3.3588205 -0.3284327 0.1589628 -0.2860621 3.1201601 9 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 10 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 11 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 12 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 13 B 1.3335751 1.0257789 -0.5365289 0.7174482 2.2464790 0.6746946 -0.7598794 -0.2517746 2.9824347 14 B 1.3335751 -1.0257789 -0.5365289 -0.7174482 2.2464790 -0.6746946 -0.7598794 0.2517746 2.9824347 15 B 1.3335751 1.0257789 0.5365289 0.7174482 2.2464790 -0.6746946 0.7598794 0.2517746 2.9824347 16 B 1.3335751 -1.0257789 0.5365289 -0.7174482 2.2464790 0.6746946 0.7598794 -0.2517746 2.9824347 17 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 18 Pb 3.5929693 -0.3407779 0.2365362 -0.1043435 2.7654861 -0.2010166 0.1640412 -0.0262437 2.5423332 19 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 20 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 21 Pb 3.5929693 0.3407779 0.2365362 0.1043435 2.7654861 0.2010166 0.1640412 0.0262437 2.5423332 22 Pb 3.5929693 0.3407779 -0.2365362 0.1043435 2.7654861 -0.2010166 -0.1640412 -0.0262437 2.5423332 23 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 24 Pb 3.5929693 -0.3407779 -0.2365362 -0.1043435 2.7654861 0.2010166 -0.1640412 0.0262437 2.5423332 25 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 26 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 27 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 28 O -1.6161560 -0.0091633 -0.5768553 0.2522467 -2.2541177 0.3397815 -0.6412952 0.2297939 -2.5212895 29 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 30 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 31 O -1.6161560 0.0091633 -0.5768553 -0.2522467 -2.2541177 -0.3397815 -0.6412952 -0.2297939 -2.5212895 32 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 33 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 34 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 35 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 36 O -2.6038622 0.3730895 0.2038472 0.1294435 -2.1275217 -0.3802494 0.0062732 -0.1638234 -1.8675723 37 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 38 O -1.8024615 0.7621752 0.5042807 0.5702015 -1.7156954 -0.1551599 0.6031982 -0.2067800 -2.3691524 39 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 40 O -1.8024615 -0.7621752 -0.5042807 -0.5702015 -1.7156954 -0.1551599 -0.6031982 -0.2067800 -2.3691524 41 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 42 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 43 O -1.8024615 -0.7621752 0.5042807 -0.5702015 -1.7156954 0.1551599 0.6031982 0.2067800 -2.3691524 44 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 45 O -2.6038622 -0.3730895 -0.2038472 -0.1294435 -2.1275217 -0.3802494 -0.0062732 -0.1638234 -1.8675723 46 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 47 O -1.6175078 -0.4578753 0.1691557 -0.4697949 -2.2320084 0.4805781 0.1686625 0.2633391 -1.9792640 48 O -1.6175078 0.4578753 0.1691557 0.4697949 -2.2320084 -0.4805781 0.1686625 -0.2633391 -1.9792640 49 O -1.6161560 -0.0091633 0.5768553 0.2522467 -2.2541177 -0.3397815 0.6412952 -0.2297939 -2.5212895 50 O -1.8024615 0.7621752 -0.5042807 0.5702015 -1.7156954 0.1551599 -0.6031982 0.2067800 -2.3691524 51 O -1.6175078 -0.4578753 -0.1691557 -0.4697949 -2.2320084 -0.4805781 -0.1686625 -0.2633391 -1.9792640 52 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 53 O -2.6038622 -0.3730895 0.2038472 -0.1294435 -2.1275217 0.3802494 0.0062732 0.1638234 -1.8675723 54 O -1.6175078 0.4578753 -0.1691557 0.4697949 -2.2320084 0.4805781 -0.1686625 0.2633391 -1.9792640 55 O -1.6161560 0.0091633 0.5768553 -0.2522467 -2.2541177 0.3397815 0.6412952 0.2297939 -2.5212895 56 O -2.6038622 0.3730895 -0.2038472 0.1294435 -2.1275217 0.3802494 -0.0062732 0.1638234 -1.8675723 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 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: 0.48, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.464 ( 0.000 0.000 0.000) 0.000 11.493 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.818 ( 0.000 0.000 0.000) 0.000 11.875 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.766 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 12.940 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 14.235 ( 0.000 0.000 0.000) 0.000 14.346 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.461 ( 0.000 0.000 0.000) 0.000 14.673 ( 0.000 0.000 0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 15.797 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 17.015 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 17.678 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 0.000 0.000) 0.000 18.099 ( 0.000 0.000 0.000) 0.000 18.274 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 18.532 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 18.954 ( 0.000 0.000 0.000) 0.000 18.990 ( 0.000 0.000 0.000) 0.000 19.130 ( 0.000 0.000 0.000) 0.000 19.231 ( 0.000 0.000 0.000) 0.000 19.296 ( 0.000 0.000 0.000) 0.000 19.421 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 0.000) 0.000 19.661 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 19.824 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 19.964 ( 0.000 0.000 0.000) 0.000 20.067 ( 0.000 0.000 0.000) 0.000 20.098 ( 0.000 0.000 0.000) 0.000 20.399 ( 0.000 0.000 0.000) 0.000 20.428 ( 0.000 0.000 0.000) 0.000 20.565 ( 0.000 0.000 0.000) 0.000 20.630 ( 0.000 0.000 0.000) 0.000 20.787 ( 0.000 0.000 0.000) 0.000 20.891 ( 0.000 0.000 0.000) 0.000 20.978 ( 0.000 0.000 0.000) 0.000 21.057 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 21.170 ( 0.000 0.000 0.000) 0.000 21.185 ( 0.000 0.000 0.000) 0.000 21.237 ( 0.000 0.000 0.000) 0.000 21.647 ( 0.000 0.000 0.000) 0.000 27.889 ( 0.000 0.000 0.000) 0.000 28.144 ( 0.000 0.000 0.000) 0.000 28.174 ( 0.000 0.000 0.000) 0.000 28.262 ( 0.000 0.000 0.000) 0.000 28.284 ( 0.000 0.000 0.000) 0.000 28.295 ( 0.000 0.000 0.000) 0.000 28.455 ( 0.000 0.000 0.000) 0.000 28.481 ( 0.000 0.000 0.000) 0.000 36.616 ( 0.000 0.000 0.000) 0.000 36.732 ( 0.000 0.000 0.000) 0.000 36.788 ( 0.000 0.000 0.000) 0.000 37.070 ( 0.000 0.000 0.000) 0.000 37.193 ( 0.000 0.000 0.000) 0.000 37.203 ( 0.000 0.000 0.000) 0.000 37.549 ( 0.000 0.000 0.000) 0.000 37.637 ( 0.000 0.000 0.000) 0.000 37.689 ( 0.000 0.000 0.000) 0.000 37.711 ( 0.000 0.000 0.000) 0.000 37.803 ( 0.000 0.000 0.000) 0.000 38.111 ( 0.000 0.000 0.000) 0.000 38.548 ( 0.000 0.000 0.000) 0.000 39.076 ( 0.000 0.000 0.000) 0.000 39.995 ( 0.000 0.000 0.000) 0.000 40.247 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 27.853 0.000 0.000) 27.853 0.601 ( 28.188 0.000 0.000) 28.188 0.645 ( 30.562 0.000 0.000) 30.562 1.623 ( 2.238 0.000 0.000) 2.238 1.736 ( 4.754 0.000 0.000) 4.754 1.782 ( 0.121 0.000 0.000) 0.121 1.919 ( 1.207 0.000 0.000) 1.207 1.931 ( 9.380 0.000 0.000) 9.380 2.006 ( 0.569 0.000 0.000) 0.569 2.039 ( 0.765 0.000 0.000) 0.765 2.131 ( -0.875 0.000 0.000) 0.875 2.202 ( -0.372 0.000 0.000) 0.372 2.478 ( -3.389 0.000 0.000) 3.389 2.490 ( -2.460 0.000 0.000) 2.460 2.509 ( -3.370 0.000 0.000) 3.370 2.668 ( -3.621 0.000 0.000) 3.621 2.690 ( -0.742 0.000 0.000) 0.742 2.710 ( -1.853 0.000 0.000) 1.853 2.806 ( -8.114 0.000 0.000) 8.114 2.817 ( 3.580 0.000 0.000) 3.580 3.006 ( -8.908 0.000 0.000) 8.908 3.083 ( 1.490 0.000 0.000) 1.490 3.152 ( 2.426 0.000 0.000) 2.426 3.474 ( -0.231 0.000 0.000) 0.231 3.766 ( 2.835 0.000 0.000) 2.835 4.076 ( -0.348 0.000 0.000) 0.348 4.096 ( 4.820 0.000 0.000) 4.820 4.499 ( 0.593 0.000 0.000) 0.593 4.520 ( 2.361 0.000 0.000) 2.361 4.628 ( 8.715 0.000 0.000) 8.715 4.976 ( 0.438 0.000 0.000) 0.438 4.990 ( 8.128 0.000 0.000) 8.128 5.115 ( 1.106 0.000 0.000) 1.106 5.317 ( 8.892 0.000 0.000) 8.892 5.439 ( 0.548 0.000 0.000) 0.548 5.725 ( 2.043 0.000 0.000) 2.043 5.778 ( 2.647 0.000 0.000) 2.647 5.838 ( -1.698 0.000 0.000) 1.698 5.843 ( -1.109 0.000 0.000) 1.109 6.129 ( 2.531 0.000 0.000) 2.531 6.703 ( 1.337 0.000 0.000) 1.337 7.116 ( -1.337 0.000 0.000) 1.337 7.317 ( -9.950 0.000 0.000) 9.950 7.439 ( -5.388 0.000 0.000) 5.388 7.565 ( -17.566 0.000 0.000) 17.566 7.607 ( 0.522 0.000 0.000) 0.522 7.879 ( -21.891 0.000 0.000) 21.891 7.879 ( -7.314 0.000 0.000) 7.314 8.040 ( 0.173 0.000 0.000) 0.173 8.369 ( -7.219 0.000 0.000) 7.219 8.490 ( -3.351 0.000 0.000) 3.351 8.565 ( -0.156 0.000 0.000) 0.156 8.689 ( 1.714 0.000 0.000) 1.714 8.780 ( 12.487 0.000 0.000) 12.487 8.836 ( -2.842 0.000 0.000) 2.842 8.901 ( 8.340 0.000 0.000) 8.340 9.027 ( 9.441 0.000 0.000) 9.441 9.109 ( -0.811 0.000 0.000) 0.811 9.308 ( 0.118 0.000 0.000) 0.118 9.376 ( 3.445 0.000 0.000) 3.445 9.457 ( 6.134 0.000 0.000) 6.134 9.491 ( 0.037 0.000 0.000) 0.037 9.546 ( 18.440 0.000 0.000) 18.440 9.744 ( -2.003 0.000 0.000) 2.003 9.868 ( -0.487 0.000 0.000) 0.487 10.055 ( 6.981 0.000 0.000) 6.981 10.115 ( 5.608 0.000 0.000) 5.608 10.188 ( 5.450 0.000 0.000) 5.450 10.310 ( -6.505 0.000 0.000) 6.505 10.498 ( 5.388 0.000 0.000) 5.388 10.595 ( -0.536 0.000 0.000) 0.536 10.679 ( -0.461 0.000 0.000) 0.461 10.885 ( 3.911 0.000 0.000) 3.911 10.994 ( 1.028 0.000 0.000) 1.028 11.174 ( -2.893 0.000 0.000) 2.893 11.281 ( -1.085 0.000 0.000) 1.085 11.454 ( -3.104 0.000 0.000) 3.104 11.463 ( 0.011 0.000 0.000) 0.011 11.517 ( -2.808 0.000 0.000) 2.808 11.592 ( 2.983 0.000 0.000) 2.983 11.729 ( 5.730 0.000 0.000) 5.730 11.741 ( -3.540 0.000 0.000) 3.540 11.945 ( 4.575 0.000 0.000) 4.575 12.140 ( 3.068 0.000 0.000) 3.068 12.277 ( -9.234 0.000 0.000) 9.234 12.300 ( -5.920 0.000 0.000) 5.920 12.331 ( -8.477 0.000 0.000) 8.477 12.473 ( -6.987 0.000 0.000) 6.987 12.539 ( 0.792 0.000 0.000) 0.792 12.778 ( 0.526 0.000 0.000) 0.526 12.820 ( 7.872 0.000 0.000) 7.872 12.893 ( -2.048 0.000 0.000) 2.048 12.966 ( 0.644 0.000 0.000) 0.644 13.033 ( -2.863 0.000 0.000) 2.863 13.382 ( 11.668 0.000 0.000) 11.668 13.570 ( -2.309 0.000 0.000) 2.309 13.579 ( -3.342 0.000 0.000) 3.342 14.079 ( -13.457 0.000 0.000) 13.457 14.082 ( -5.405 0.000 0.000) 5.405 14.380 ( -5.321 0.000 0.000) 5.321 14.409 ( -4.525 0.000 0.000) 4.525 14.643 ( -3.388 0.000 0.000) 3.388 15.678 ( 7.655 0.000 0.000) 7.655 15.817 ( 1.728 0.000 0.000) 1.728 16.115 ( 6.867 0.000 0.000) 6.867 16.147 ( 5.616 0.000 0.000) 5.616 16.894 ( -2.273 0.000 0.000) 2.273 16.934 ( 0.671 0.000 0.000) 0.671 16.995 ( -1.273 0.000 0.000) 1.273 17.455 ( 2.008 0.000 0.000) 2.008 17.579 ( -7.685 0.000 0.000) 7.685 18.139 ( 4.474 0.000 0.000) 4.474 18.216 ( 9.162 0.000 0.000) 9.162 18.272 ( -3.127 0.000 0.000) 3.127 18.369 ( 2.543 0.000 0.000) 2.543 18.457 ( -3.744 0.000 0.000) 3.744 18.821 ( -3.090 0.000 0.000) 3.090 18.941 ( -1.253 0.000 0.000) 1.253 18.949 ( -3.832 0.000 0.000) 3.832 19.115 ( -1.587 0.000 0.000) 1.587 19.289 ( 3.806 0.000 0.000) 3.806 19.296 ( 0.200 0.000 0.000) 0.200 19.547 ( -2.148 0.000 0.000) 2.148 19.606 ( -0.420 0.000 0.000) 0.420 19.714 ( 4.214 0.000 0.000) 4.214 19.737 ( 1.198 0.000 0.000) 1.198 19.847 ( 2.040 0.000 0.000) 2.040 19.920 ( 5.449 0.000 0.000) 5.449 19.960 ( -0.304 0.000 0.000) 0.304 20.058 ( -0.758 0.000 0.000) 0.758 20.304 ( -1.444 0.000 0.000) 1.444 20.378 ( -2.163 0.000 0.000) 2.163 20.486 ( 5.324 0.000 0.000) 5.324 20.665 ( 3.315 0.000 0.000) 3.315 20.791 ( 0.477 0.000 0.000) 0.477 20.880 ( -0.962 0.000 0.000) 0.962 20.882 ( -1.111 0.000 0.000) 1.111 20.948 ( -2.845 0.000 0.000) 2.845 21.051 ( -0.613 0.000 0.000) 0.613 21.054 ( -1.241 0.000 0.000) 1.241 21.193 ( 0.858 0.000 0.000) 0.858 21.228 ( -0.842 0.000 0.000) 0.842 21.597 ( -4.729 0.000 0.000) 4.729 21.777 ( -4.199 0.000 0.000) 4.199 27.904 ( 1.449 0.000 0.000) 1.449 28.142 ( -0.230 0.000 0.000) 0.230 28.183 ( 0.513 0.000 0.000) 0.513 28.253 ( -0.823 0.000 0.000) 0.823 28.276 ( -0.764 0.000 0.000) 0.764 28.290 ( -0.404 0.000 0.000) 0.404 28.459 ( 0.371 0.000 0.000) 0.371 28.486 ( 0.406 0.000 0.000) 0.406 36.679 ( 5.980 0.000 0.000) 5.980 36.797 ( 6.090 0.000 0.000) 6.090 36.831 ( 3.925 0.000 0.000) 3.925 37.086 ( 1.524 0.000 0.000) 1.524 37.188 ( -0.543 0.000 0.000) 0.543 37.196 ( -0.619 0.000 0.000) 0.619 37.577 ( -0.625 0.000 0.000) 0.625 37.632 ( -0.509 0.000 0.000) 0.509 37.692 ( -0.318 0.000 0.000) 0.318 37.761 ( -3.990 0.000 0.000) 3.990 38.118 ( 1.529 0.000 0.000) 1.529 38.570 ( 2.285 0.000 0.000) 2.285 38.599 ( 0.305 0.000 0.000) 0.305 39.031 ( -4.227 0.000 0.000) 4.227 39.854 ( -13.425 0.000 0.000) 13.425 40.088 ( -14.943 0.000 0.000) 14.943 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 22.980 0.000 0.000) 22.980 1.140 ( 24.714 0.000 0.000) 24.714 1.219 ( 25.018 0.000 0.000) 25.018 1.710 ( 5.866 0.000 0.000) 5.866 1.788 ( 0.033 0.000 0.000) 0.033 1.854 ( 5.925 0.000 0.000) 5.925 1.939 ( 0.150 0.000 0.000) 0.150 2.021 ( 0.728 0.000 0.000) 0.728 2.082 ( 4.077 0.000 0.000) 4.077 2.097 ( -2.396 0.000 0.000) 2.396 2.149 ( 10.697 0.000 0.000) 10.697 2.189 ( -0.875 0.000 0.000) 0.875 2.392 ( -4.914 0.000 0.000) 4.914 2.394 ( -7.447 0.000 0.000) 7.447 2.449 ( -1.995 0.000 0.000) 1.995 2.566 ( -10.143 0.000 0.000) 10.143 2.580 ( -4.447 0.000 0.000) 4.447 2.671 ( -1.925 0.000 0.000) 1.925 2.710 ( -2.011 0.000 0.000) 2.011 2.764 ( -13.232 0.000 0.000) 13.232 2.888 ( 3.263 0.000 0.000) 3.263 3.078 ( -1.838 0.000 0.000) 1.838 3.227 ( 4.854 0.000 0.000) 4.854 3.470 ( -0.702 0.000 0.000) 0.702 3.837 ( 3.923 0.000 0.000) 3.923 4.051 ( -2.114 0.000 0.000) 2.114 4.224 ( 7.136 0.000 0.000) 7.136 4.504 ( -0.598 0.000 0.000) 0.598 4.613 ( 6.496 0.000 0.000) 6.496 4.871 ( 14.615 0.000 0.000) 14.615 4.966 ( -1.763 0.000 0.000) 1.763 5.156 ( 2.966 0.000 0.000) 2.966 5.182 ( 9.246 0.000 0.000) 9.246 5.347 ( -1.679 0.000 0.000) 1.679 5.607 ( 7.473 0.000 0.000) 7.473 5.783 ( 3.430 0.000 0.000) 3.430 5.787 ( -3.136 0.000 0.000) 3.136 5.841 ( 0.933 0.000 0.000) 0.933 5.903 ( 12.986 0.000 0.000) 12.986 6.172 ( 1.672 0.000 0.000) 1.672 6.739 ( 2.224 0.000 0.000) 2.224 7.056 ( -15.125 0.000 0.000) 15.125 7.075 ( -28.823 0.000 0.000) 28.823 7.112 ( 1.714 0.000 0.000) 1.714 7.206 ( -14.836 0.000 0.000) 14.836 7.601 ( -1.207 0.000 0.000) 1.207 7.617 ( -4.418 0.000 0.000) 4.418 7.671 ( -12.140 0.000 0.000) 12.140 8.061 ( 1.465 0.000 0.000) 1.465 8.244 ( -5.142 0.000 0.000) 5.142 8.436 ( -0.921 0.000 0.000) 0.921 8.567 ( -0.168 0.000 0.000) 0.168 8.712 ( 0.113 0.000 0.000) 0.113 8.766 ( -3.485 0.000 0.000) 3.485 9.034 ( 11.585 0.000 0.000) 11.585 9.081 ( 8.315 0.000 0.000) 8.315 9.111 ( 1.756 0.000 0.000) 1.756 9.199 ( 6.247 0.000 0.000) 6.247 9.332 ( 1.881 0.000 0.000) 1.881 9.452 ( 1.914 0.000 0.000) 1.914 9.473 ( 0.280 0.000 0.000) 0.280 9.573 ( 4.677 0.000 0.000) 4.677 9.749 ( 2.147 0.000 0.000) 2.147 9.805 ( 5.842 0.000 0.000) 5.842 9.857 ( -0.488 0.000 0.000) 0.488 10.133 ( -10.347 0.000 0.000) 10.347 10.222 ( 9.317 0.000 0.000) 9.317 10.255 ( 7.253 0.000 0.000) 7.253 10.406 ( 14.287 0.000 0.000) 14.287 10.610 ( 2.761 0.000 0.000) 2.761 10.633 ( -3.366 0.000 0.000) 3.366 10.676 ( 10.727 0.000 0.000) 10.727 10.973 ( 0.094 0.000 0.000) 0.094 11.074 ( 10.973 0.000 0.000) 10.973 11.097 ( -4.490 0.000 0.000) 4.490 11.139 ( -10.601 0.000 0.000) 10.601 11.396 ( -2.466 0.000 0.000) 2.466 11.445 ( -3.819 0.000 0.000) 3.819 11.473 ( 1.133 0.000 0.000) 1.133 11.655 ( 1.051 0.000 0.000) 1.051 11.775 ( 6.507 0.000 0.000) 6.507 11.802 ( -0.798 0.000 0.000) 0.798 12.039 ( 4.377 0.000 0.000) 4.377 12.043 ( -10.286 0.000 0.000) 10.286 12.051 ( -12.044 0.000 0.000) 12.044 12.217 ( -2.972 0.000 0.000) 2.972 12.294 ( 5.105 0.000 0.000) 5.105 12.360 ( -2.117 0.000 0.000) 2.117 12.507 ( -3.466 0.000 0.000) 3.466 12.768 ( -1.734 0.000 0.000) 1.734 12.800 ( -7.766 0.000 0.000) 7.766 12.904 ( -6.818 0.000 0.000) 6.818 13.016 ( 10.794 0.000 0.000) 10.794 13.048 ( 4.278 0.000 0.000) 4.278 13.501 ( -4.350 0.000 0.000) 4.350 13.531 ( -0.604 0.000 0.000) 0.604 13.634 ( 13.324 0.000 0.000) 13.324 13.773 ( -14.885 0.000 0.000) 14.885 13.930 ( -8.977 0.000 0.000) 8.977 14.278 ( -3.671 0.000 0.000) 3.671 14.303 ( -5.290 0.000 0.000) 5.290 14.520 ( -8.706 0.000 0.000) 8.706 15.823 ( 5.524 0.000 0.000) 5.524 15.855 ( 1.839 0.000 0.000) 1.839 16.296 ( 10.267 0.000 0.000) 10.267 16.313 ( 10.209 0.000 0.000) 10.209 16.832 ( -3.881 0.000 0.000) 3.881 16.876 ( -5.829 0.000 0.000) 5.829 17.029 ( 3.984 0.000 0.000) 3.984 17.415 ( -7.958 0.000 0.000) 7.958 17.518 ( 4.206 0.000 0.000) 4.206 18.074 ( -13.190 0.000 0.000) 13.190 18.264 ( 7.342 0.000 0.000) 7.342 18.404 ( 8.137 0.000 0.000) 8.137 18.439 ( 4.168 0.000 0.000) 4.168 18.488 ( 4.304 0.000 0.000) 4.304 18.755 ( -3.319 0.000 0.000) 3.319 18.850 ( -5.373 0.000 0.000) 5.373 18.904 ( -2.105 0.000 0.000) 2.105 19.060 ( -3.865 0.000 0.000) 3.865 19.315 ( 1.887 0.000 0.000) 1.887 19.349 ( 2.389 0.000 0.000) 2.389 19.504 ( -2.243 0.000 0.000) 2.243 19.576 ( -2.737 0.000 0.000) 2.737 19.817 ( 5.721 0.000 0.000) 5.721 19.820 ( 6.100 0.000 0.000) 6.100 19.894 ( 2.241 0.000 0.000) 2.241 19.958 ( 0.339 0.000 0.000) 0.339 20.031 ( 5.219 0.000 0.000) 5.219 20.041 ( -0.988 0.000 0.000) 0.988 20.262 ( -2.567 0.000 0.000) 2.567 20.305 ( -5.037 0.000 0.000) 5.037 20.620 ( 6.957 0.000 0.000) 6.957 20.747 ( 3.796 0.000 0.000) 3.796 20.812 ( 1.779 0.000 0.000) 1.779 20.850 ( -1.977 0.000 0.000) 1.977 20.869 ( 0.747 0.000 0.000) 0.747 20.876 ( -3.771 0.000 0.000) 3.771 21.016 ( -2.433 0.000 0.000) 2.433 21.034 ( -1.003 0.000 0.000) 1.003 21.210 ( -0.613 0.000 0.000) 0.613 21.228 ( 2.861 0.000 0.000) 2.861 21.468 ( -7.541 0.000 0.000) 7.541 21.654 ( -7.607 0.000 0.000) 7.607 27.946 ( 2.628 0.000 0.000) 2.628 28.125 ( -1.686 0.000 0.000) 1.686 28.197 ( 0.861 0.000 0.000) 0.861 28.239 ( -0.202 0.000 0.000) 0.202 28.257 ( -0.993 0.000 0.000) 0.993 28.279 ( -0.693 0.000 0.000) 0.693 28.469 ( 0.605 0.000 0.000) 0.605 28.493 ( 0.187 0.000 0.000) 0.187 36.840 ( 9.078 0.000 0.000) 9.078 36.929 ( 5.199 0.000 0.000) 5.199 36.960 ( 8.927 0.000 0.000) 8.927 37.136 ( 3.647 0.000 0.000) 3.647 37.167 ( -1.645 0.000 0.000) 1.645 37.185 ( 0.081 0.000 0.000) 0.081 37.552 ( -2.500 0.000 0.000) 2.500 37.617 ( -0.824 0.000 0.000) 0.824 37.639 ( -5.442 0.000 0.000) 5.442 37.654 ( -5.598 0.000 0.000) 5.598 38.227 ( 10.136 0.000 0.000) 10.136 38.618 ( 1.712 0.000 0.000) 1.712 38.656 ( 6.731 0.000 0.000) 6.731 38.917 ( -6.520 0.000 0.000) 6.520 39.480 ( -22.195 0.000 0.000) 22.195 39.687 ( -22.758 0.000 0.000) 22.758 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 15.644 0.000 0.000) 15.644 1.600 ( 18.874 0.000 0.000) 18.874 1.631 ( 14.624 0.000 0.000) 14.624 1.749 ( -4.486 0.000 0.000) 4.486 1.791 ( -0.781 0.000 0.000) 0.781 1.894 ( -5.984 0.000 0.000) 5.984 1.964 ( 5.375 0.000 0.000) 5.375 2.027 ( -0.562 0.000 0.000) 0.562 2.056 ( 0.152 0.000 0.000) 0.152 2.178 ( 1.002 0.000 0.000) 1.002 2.181 ( -11.782 0.000 0.000) 11.782 2.211 ( 7.561 0.000 0.000) 7.561 2.270 ( -6.973 0.000 0.000) 6.973 2.337 ( 7.422 0.000 0.000) 7.422 2.370 ( -8.321 0.000 0.000) 8.321 2.427 ( -0.960 0.000 0.000) 0.960 2.508 ( -2.151 0.000 0.000) 2.151 2.543 ( -7.116 0.000 0.000) 7.116 2.643 ( -0.380 0.000 0.000) 0.380 2.665 ( -2.220 0.000 0.000) 2.220 2.953 ( 3.190 0.000 0.000) 3.190 3.021 ( -3.393 0.000 0.000) 3.393 3.337 ( 5.405 0.000 0.000) 5.405 3.429 ( -3.376 0.000 0.000) 3.376 3.919 ( 3.993 0.000 0.000) 3.993 3.995 ( -3.328 0.000 0.000) 3.328 4.364 ( 6.167 0.000 0.000) 6.167 4.464 ( -3.462 0.000 0.000) 3.462 4.762 ( 7.476 0.000 0.000) 7.476 4.895 ( -5.201 0.000 0.000) 5.201 5.174 ( 12.906 0.000 0.000) 12.906 5.230 ( 3.979 0.000 0.000) 3.979 5.303 ( 0.974 0.000 0.000) 0.974 5.303 ( -2.882 0.000 0.000) 2.882 5.673 ( 1.674 0.000 0.000) 1.674 5.721 ( -3.042 0.000 0.000) 3.042 5.850 ( 2.558 0.000 0.000) 2.558 5.866 ( 0.880 0.000 0.000) 0.880 6.232 ( 6.309 0.000 0.000) 6.309 6.288 ( 21.485 0.000 0.000) 21.485 6.523 ( -22.556 0.000 0.000) 22.556 6.708 ( -19.030 0.000 0.000) 19.030 6.802 ( 4.397 0.000 0.000) 4.397 6.944 ( -9.986 0.000 0.000) 9.986 7.206 ( 7.664 0.000 0.000) 7.664 7.415 ( -12.225 0.000 0.000) 12.225 7.573 ( -0.907 0.000 0.000) 0.907 7.574 ( -0.967 0.000 0.000) 0.967 8.098 ( 2.237 0.000 0.000) 2.237 8.156 ( -3.526 0.000 0.000) 3.526 8.462 ( 3.127 0.000 0.000) 3.127 8.534 ( -3.126 0.000 0.000) 3.126 8.703 ( -0.476 0.000 0.000) 0.476 8.711 ( -1.579 0.000 0.000) 1.579 9.187 ( 4.832 0.000 0.000) 4.832 9.209 ( 4.526 0.000 0.000) 4.526 9.210 ( 3.776 0.000 0.000) 3.776 9.255 ( -0.802 0.000 0.000) 0.802 9.371 ( 1.761 0.000 0.000) 1.761 9.410 ( -2.356 0.000 0.000) 2.356 9.574 ( 6.008 0.000 0.000) 6.008 9.636 ( 0.900 0.000 0.000) 0.900 9.798 ( 2.756 0.000 0.000) 2.756 9.852 ( 0.353 0.000 0.000) 0.353 9.852 ( -0.009 0.000 0.000) 0.009 9.918 ( -9.519 0.000 0.000) 9.519 10.386 ( 5.672 0.000 0.000) 5.672 10.437 ( 11.895 0.000 0.000) 11.895 10.497 ( -4.909 0.000 0.000) 4.909 10.692 ( -11.271 0.000 0.000) 11.271 10.707 ( 7.767 0.000 0.000) 7.767 10.708 ( 5.470 0.000 0.000) 5.470 10.943 ( -1.410 0.000 0.000) 1.410 10.995 ( -5.266 0.000 0.000) 5.266 11.151 ( 14.339 0.000 0.000) 14.339 11.362 ( 14.932 0.000 0.000) 14.932 11.364 ( -0.384 0.000 0.000) 0.384 11.377 ( -2.617 0.000 0.000) 2.617 11.495 ( -15.299 0.000 0.000) 15.299 11.507 ( 1.315 0.000 0.000) 1.315 11.711 ( -5.149 0.000 0.000) 5.149 11.783 ( -12.658 0.000 0.000) 12.658 11.927 ( 6.576 0.000 0.000) 6.576 11.981 ( 1.235 0.000 0.000) 1.235 12.120 ( 3.539 0.000 0.000) 3.539 12.173 ( -1.706 0.000 0.000) 1.706 12.384 ( 2.724 0.000 0.000) 2.724 12.393 ( 3.010 0.000 0.000) 3.010 12.450 ( 0.254 0.000 0.000) 0.254 12.587 ( -11.397 0.000 0.000) 11.397 12.717 ( -2.281 0.000 0.000) 2.281 12.747 ( -6.174 0.000 0.000) 6.174 13.193 ( 9.129 0.000 0.000) 9.129 13.246 ( 11.553 0.000 0.000) 11.553 13.378 ( -8.039 0.000 0.000) 8.039 13.486 ( -11.601 0.000 0.000) 11.601 13.588 ( 4.444 0.000 0.000) 4.444 13.739 ( -9.162 0.000 0.000) 9.162 13.928 ( 15.088 0.000 0.000) 15.088 14.189 ( -7.954 0.000 0.000) 7.954 14.245 ( 0.342 0.000 0.000) 0.342 14.317 ( -8.570 0.000 0.000) 8.570 15.887 ( 1.104 0.000 0.000) 1.104 15.890 ( 1.208 0.000 0.000) 1.208 16.515 ( 10.813 0.000 0.000) 10.813 16.535 ( 10.750 0.000 0.000) 10.750 16.721 ( -9.130 0.000 0.000) 9.130 16.723 ( -7.258 0.000 0.000) 7.258 17.130 ( 5.802 0.000 0.000) 5.802 17.261 ( -7.026 0.000 0.000) 7.026 17.632 ( 7.127 0.000 0.000) 7.127 17.817 ( -11.153 0.000 0.000) 11.153 18.416 ( 6.808 0.000 0.000) 6.808 18.498 ( 0.031 0.000 0.000) 0.031 18.527 ( 3.947 0.000 0.000) 3.947 18.562 ( 1.645 0.000 0.000) 1.645 18.701 ( -1.011 0.000 0.000) 1.011 18.746 ( -4.481 0.000 0.000) 4.481 18.888 ( 1.592 0.000 0.000) 1.592 18.965 ( -4.964 0.000 0.000) 4.964 19.373 ( 3.580 0.000 0.000) 3.580 19.410 ( 3.828 0.000 0.000) 3.828 19.448 ( -3.361 0.000 0.000) 3.361 19.499 ( -4.515 0.000 0.000) 4.515 19.922 ( 1.985 0.000 0.000) 1.985 19.927 ( 0.855 0.000 0.000) 0.855 19.932 ( 5.020 0.000 0.000) 5.020 20.009 ( -2.456 0.000 0.000) 2.456 20.012 ( 6.514 0.000 0.000) 6.514 20.128 ( 4.163 0.000 0.000) 4.163 20.172 ( -7.811 0.000 0.000) 7.811 20.202 ( -3.250 0.000 0.000) 3.250 20.737 ( 4.200 0.000 0.000) 4.200 20.785 ( 0.697 0.000 0.000) 0.697 20.803 ( -2.617 0.000 0.000) 2.617 20.812 ( -2.226 0.000 0.000) 2.226 20.873 ( 4.015 0.000 0.000) 4.015 20.935 ( 4.583 0.000 0.000) 4.583 20.954 ( -3.626 0.000 0.000) 3.626 21.006 ( -2.109 0.000 0.000) 2.109 21.220 ( 2.155 0.000 0.000) 2.155 21.314 ( -6.804 0.000 0.000) 6.804 21.321 ( 6.445 0.000 0.000) 6.445 21.482 ( -8.778 0.000 0.000) 8.778 28.008 ( 3.279 0.000 0.000) 3.279 28.074 ( -3.089 0.000 0.000) 3.089 28.217 ( 0.982 0.000 0.000) 0.982 28.237 ( -0.992 0.000 0.000) 0.992 28.246 ( 0.709 0.000 0.000) 0.709 28.263 ( -0.858 0.000 0.000) 0.858 28.482 ( 0.600 0.000 0.000) 0.600 28.492 ( -0.295 0.000 0.000) 0.295 37.012 ( 6.967 0.000 0.000) 6.967 37.024 ( 3.768 0.000 0.000) 3.768 37.069 ( 0.186 0.000 0.000) 0.186 37.116 ( -3.529 0.000 0.000) 3.529 37.248 ( 7.546 0.000 0.000) 7.546 37.269 ( 9.155 0.000 0.000) 9.155 37.426 ( -8.913 0.000 0.000) 8.913 37.478 ( -9.867 0.000 0.000) 9.867 37.596 ( -0.481 0.000 0.000) 0.481 37.601 ( -0.676 0.000 0.000) 0.676 38.535 ( 19.599 0.000 0.000) 19.599 38.676 ( 4.115 0.000 0.000) 4.115 38.783 ( -6.223 0.000 0.000) 6.223 38.864 ( 13.984 0.000 0.000) 13.984 38.994 ( -24.347 0.000 0.000) 24.347 39.226 ( -21.084 0.000 0.000) 21.084 ======================= Grid point 7 (5/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 29.130 0.000) 29.130 0.643 ( 0.000 30.645 0.000) 30.645 1.037 ( 0.000 47.743 0.000) 47.743 1.568 ( 0.000 -3.802 0.000) 3.802 1.702 ( 0.000 1.612 0.000) 1.612 1.807 ( 0.000 -0.307 0.000) 0.307 1.842 ( 0.000 3.272 0.000) 3.272 1.921 ( 0.000 -6.631 0.000) 6.631 2.007 ( 0.000 9.379 0.000) 9.379 2.057 ( 0.000 2.261 0.000) 2.261 2.154 ( 0.000 1.099 0.000) 1.099 2.180 ( 0.000 -2.490 0.000) 2.490 2.498 ( 0.000 -2.007 0.000) 2.007 2.544 ( 0.000 0.821 0.000) 0.821 2.559 ( 0.000 0.373 0.000) 0.373 2.559 ( 0.000 1.224 0.000) 1.224 2.674 ( 0.000 -1.329 0.000) 1.329 2.727 ( 0.000 -3.345 0.000) 3.345 2.759 ( 0.000 0.960 0.000) 0.960 2.922 ( 0.000 -1.116 0.000) 1.116 2.943 ( 0.000 -8.514 0.000) 8.514 3.059 ( 0.000 -3.795 0.000) 3.795 3.154 ( 0.000 2.393 0.000) 2.393 3.419 ( 0.000 -5.326 0.000) 5.326 3.664 ( 0.000 10.285 0.000) 10.285 3.785 ( 0.000 4.869 0.000) 4.869 4.038 ( 0.000 -0.489 0.000) 0.489 4.110 ( 0.000 -2.013 0.000) 2.013 4.440 ( 0.000 -4.941 0.000) 4.941 4.721 ( 0.000 8.343 0.000) 8.343 4.844 ( 0.000 -12.127 0.000) 12.127 4.936 ( 0.000 3.070 0.000) 3.070 5.070 ( 0.000 3.602 0.000) 3.602 5.124 ( 0.000 2.330 0.000) 2.330 5.433 ( 0.000 20.209 0.000) 20.209 5.739 ( 0.000 3.152 0.000) 3.152 5.773 ( 0.000 5.207 0.000) 5.207 5.858 ( 0.000 -0.027 0.000) 0.027 6.082 ( 0.000 -2.261 0.000) 2.261 6.217 ( 0.000 4.157 0.000) 4.157 6.683 ( 0.000 1.635 0.000) 1.635 7.155 ( 0.000 1.765 0.000) 1.765 7.273 ( 0.000 -23.093 0.000) 23.093 7.332 ( 0.000 -8.315 0.000) 8.315 7.531 ( 0.000 -20.227 0.000) 20.227 7.655 ( 0.000 2.012 0.000) 2.012 7.797 ( 0.000 -20.161 0.000) 20.161 7.824 ( 0.000 -5.334 0.000) 5.334 8.276 ( 0.000 5.362 0.000) 5.362 8.352 ( 0.000 -10.558 0.000) 10.558 8.415 ( 0.000 -8.647 0.000) 8.647 8.421 ( 0.000 -3.466 0.000) 3.466 8.662 ( 0.000 3.512 0.000) 3.512 8.760 ( 0.000 3.494 0.000) 3.494 8.903 ( 0.000 2.801 0.000) 2.801 8.964 ( 0.000 3.440 0.000) 3.440 8.997 ( 0.000 12.181 0.000) 12.181 9.155 ( 0.000 -2.714 0.000) 2.714 9.305 ( 0.000 -2.563 0.000) 2.563 9.341 ( 0.000 1.254 0.000) 1.254 9.367 ( 0.000 0.239 0.000) 0.239 9.409 ( 0.000 0.573 0.000) 0.573 9.587 ( 0.000 12.374 0.000) 12.374 9.718 ( 0.000 -3.764 0.000) 3.764 10.016 ( 0.000 2.818 0.000) 2.818 10.052 ( 0.000 -4.438 0.000) 4.438 10.201 ( 0.000 2.711 0.000) 2.711 10.258 ( 0.000 17.379 0.000) 17.379 10.295 ( 0.000 -4.034 0.000) 4.034 10.636 ( 0.000 2.095 0.000) 2.095 10.702 ( 0.000 15.697 0.000) 15.697 10.850 ( 0.000 10.922 0.000) 10.922 10.855 ( 0.000 -10.331 0.000) 10.331 10.928 ( 0.000 8.616 0.000) 8.616 11.093 ( 0.000 -2.550 0.000) 2.550 11.183 ( 0.000 -1.956 0.000) 1.956 11.428 ( 0.000 -2.326 0.000) 2.326 11.517 ( 0.000 2.269 0.000) 2.269 11.544 ( 0.000 1.138 0.000) 1.138 11.639 ( 0.000 6.659 0.000) 6.659 11.803 ( 0.000 -2.091 0.000) 2.091 11.858 ( 0.000 4.010 0.000) 4.010 12.020 ( 0.000 -20.451 0.000) 20.451 12.048 ( 0.000 19.224 0.000) 19.224 12.213 ( 0.000 -6.780 0.000) 6.780 12.312 ( 0.000 -9.217 0.000) 9.217 12.336 ( 0.000 -9.709 0.000) 9.709 12.560 ( 0.000 -23.975 0.000) 23.975 12.577 ( 0.000 2.311 0.000) 2.311 12.604 ( 0.000 5.628 0.000) 5.628 12.843 ( 0.000 5.382 0.000) 5.382 12.952 ( 0.000 0.294 0.000) 0.294 12.968 ( 0.000 19.153 0.000) 19.153 13.082 ( 0.000 -5.872 0.000) 5.872 13.273 ( 0.000 0.835 0.000) 0.835 13.322 ( 0.000 9.235 0.000) 9.235 13.648 ( 0.000 2.465 0.000) 2.465 13.984 ( 0.000 -13.432 0.000) 13.432 14.072 ( 0.000 -8.965 0.000) 8.965 14.141 ( 0.000 -13.338 0.000) 13.338 14.623 ( 0.000 10.101 0.000) 10.101 14.752 ( 0.000 19.457 0.000) 19.457 15.462 ( 0.000 -10.993 0.000) 10.993 15.740 ( 0.000 -7.279 0.000) 7.279 16.085 ( 0.000 8.799 0.000) 8.799 16.153 ( 0.000 10.192 0.000) 10.192 16.855 ( 0.000 -6.541 0.000) 6.541 16.931 ( 0.000 -8.093 0.000) 8.093 17.238 ( 0.000 5.014 0.000) 5.014 17.493 ( 0.000 5.744 0.000) 5.744 17.619 ( 0.000 -5.324 0.000) 5.324 18.085 ( 0.000 -0.586 0.000) 0.586 18.091 ( 0.000 -0.678 0.000) 0.678 18.296 ( 0.000 1.380 0.000) 1.380 18.298 ( 0.000 1.931 0.000) 1.931 18.327 ( 0.000 -16.523 0.000) 16.523 18.883 ( 0.000 2.986 0.000) 2.986 18.982 ( 0.000 2.213 0.000) 2.213 18.995 ( 0.000 0.426 0.000) 0.426 19.141 ( 0.000 -0.215 0.000) 0.215 19.252 ( 0.000 2.064 0.000) 2.064 19.422 ( 0.000 -0.472 0.000) 0.472 19.497 ( 0.000 15.108 0.000) 15.108 19.623 ( 0.000 4.393 0.000) 4.393 19.761 ( 0.000 1.400 0.000) 1.400 19.826 ( 0.000 0.221 0.000) 0.221 19.842 ( 0.000 -0.165 0.000) 0.165 19.937 ( 0.000 -2.481 0.000) 2.481 19.993 ( 0.000 -5.821 0.000) 5.821 20.092 ( 0.000 -0.397 0.000) 0.397 20.151 ( 0.000 -1.700 0.000) 1.700 20.315 ( 0.000 -6.167 0.000) 6.167 20.456 ( 0.000 1.070 0.000) 1.070 20.530 ( 0.000 -2.142 0.000) 2.142 20.679 ( 0.000 3.402 0.000) 3.402 20.792 ( 0.000 0.211 0.000) 0.211 20.876 ( 0.000 -1.100 0.000) 1.100 20.959 ( 0.000 -1.869 0.000) 1.869 21.071 ( 0.000 1.267 0.000) 1.267 21.079 ( 0.000 1.144 0.000) 1.144 21.163 ( 0.000 -0.731 0.000) 0.731 21.172 ( 0.000 -1.204 0.000) 1.204 21.670 ( 0.000 2.192 0.000) 2.192 21.927 ( 0.000 -3.860 0.000) 3.860 27.912 ( 0.000 2.248 0.000) 2.248 28.118 ( 0.000 -2.407 0.000) 2.407 28.203 ( 0.000 2.728 0.000) 2.728 28.258 ( 0.000 -0.032 0.000) 0.032 28.294 ( 0.000 -0.599 0.000) 0.599 28.309 ( 0.000 1.991 0.000) 1.991 28.442 ( 0.000 -1.260 0.000) 1.260 28.451 ( 0.000 -2.879 0.000) 2.879 36.639 ( 0.000 2.616 0.000) 2.616 36.786 ( 0.000 -0.271 0.000) 0.271 36.838 ( 0.000 9.462 0.000) 9.462 37.075 ( 0.000 0.670 0.000) 0.670 37.180 ( 0.000 -1.280 0.000) 1.280 37.252 ( 0.000 4.413 0.000) 4.413 37.525 ( 0.000 -3.543 0.000) 3.543 37.617 ( 0.000 -1.712 0.000) 1.712 37.623 ( 0.000 -6.773 0.000) 6.773 37.643 ( 0.000 -5.186 0.000) 5.186 38.041 ( 0.000 15.196 0.000) 15.196 38.699 ( 0.000 14.574 0.000) 14.574 38.986 ( 0.000 -8.795 0.000) 8.795 39.669 ( 0.000 2.692 0.000) 2.692 39.956 ( 0.000 -3.707 0.000) 3.707 40.073 ( 0.000 -16.455 0.000) 16.455 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -4.435 27.668 0.000) 28.021 0.849 ( 17.021 20.834 0.000) 26.903 1.381 ( 19.544 35.603 0.000) 40.614 1.593 ( 2.939 -3.406 0.000) 4.498 1.748 ( 4.464 1.158 0.000) 4.612 1.821 ( 2.015 2.101 0.000) 2.911 1.884 ( 5.809 -3.080 0.000) 6.575 1.930 ( 1.581 -5.728 0.000) 5.943 2.019 ( 0.957 8.044 0.000) 8.101 2.055 ( -0.150 2.600 0.000) 2.604 2.138 ( -0.487 0.683 0.000) 0.839 2.176 ( -0.478 -2.530 0.000) 2.575 2.471 ( -2.853 -2.259 0.000) 3.639 2.482 ( -3.639 0.252 0.000) 3.648 2.505 ( -4.208 -0.267 0.000) 4.217 2.634 ( -0.855 -2.187 0.000) 2.348 2.686 ( 0.421 -0.335 0.000) 0.537 2.711 ( -1.290 -0.233 0.000) 1.311 2.808 ( -7.923 -0.579 0.000) 7.944 2.809 ( 3.374 -0.613 0.000) 3.429 2.981 ( -7.674 -2.697 0.000) 8.134 2.986 ( 1.629 -7.912 0.000) 8.078 3.174 ( 1.882 1.606 0.000) 2.474 3.414 ( -0.017 -5.407 0.000) 5.407 3.815 ( 2.629 4.588 0.000) 5.288 4.020 ( 10.046 -4.882 0.000) 11.170 4.097 ( 5.460 0.267 0.000) 5.466 4.186 ( 12.210 -8.627 0.000) 14.950 4.473 ( 3.142 -4.994 0.000) 5.900 4.761 ( 2.777 8.033 0.000) 8.499 4.854 ( 0.973 -12.136 0.000) 12.175 5.016 ( 6.257 1.807 0.000) 6.513 5.127 ( 0.998 2.289 0.000) 2.497 5.185 ( 10.220 -2.567 0.000) 10.537 5.495 ( 5.325 13.706 0.000) 14.704 5.750 ( 1.058 2.300 0.000) 2.531 5.777 ( 1.135 7.485 0.000) 7.571 5.844 ( -1.294 0.563 0.000) 1.412 5.972 ( -5.398 1.232 0.000) 5.536 6.306 ( 4.391 6.537 0.000) 7.875 6.702 ( 1.667 1.772 0.000) 2.433 7.130 ( -12.952 -18.282 0.000) 22.405 7.131 ( -1.861 1.681 0.000) 2.507 7.166 ( -11.972 -20.787 0.000) 23.988 7.456 ( -8.361 -9.698 0.000) 12.804 7.678 ( 2.164 5.459 0.000) 5.872 7.747 ( -6.522 -8.366 0.000) 10.608 7.891 ( 4.875 -7.365 0.000) 8.832 8.129 ( -7.843 9.442 0.000) 12.275 8.298 ( -5.080 -5.541 0.000) 7.517 8.475 ( 5.988 -5.393 0.000) 8.058 8.555 ( 4.702 -1.411 0.000) 4.910 8.686 ( 3.684 -2.996 0.000) 4.749 8.745 ( -1.101 4.572 0.000) 4.702 8.829 ( -3.285 2.530 0.000) 4.146 8.898 ( -0.552 2.401 0.000) 2.464 9.157 ( 8.080 -1.214 0.000) 8.171 9.198 ( -5.886 3.295 0.000) 6.746 9.228 ( 4.328 0.345 0.000) 4.341 9.391 ( 3.029 0.667 0.000) 3.101 9.429 ( 0.082 -4.128 0.000) 4.129 9.436 ( 8.551 0.359 0.000) 8.559 9.640 ( 4.194 5.764 0.000) 7.128 9.746 ( 2.066 -0.476 0.000) 2.120 9.964 ( -5.892 4.158 0.000) 7.211 10.069 ( 1.759 -5.323 0.000) 5.606 10.115 ( 1.700 7.062 0.000) 7.264 10.268 ( -3.347 -2.328 0.000) 4.077 10.309 ( 3.626 14.971 0.000) 15.404 10.642 ( 0.408 3.153 0.000) 3.179 10.730 ( 4.400 5.537 0.000) 7.072 10.823 ( 1.771 12.171 0.000) 12.300 10.895 ( -1.445 6.444 0.000) 6.604 10.994 ( 4.147 1.555 0.000) 4.429 11.135 ( 5.706 -4.846 0.000) 7.486 11.162 ( -1.914 -1.257 0.000) 2.290 11.454 ( -1.199 -1.727 0.000) 2.102 11.462 ( -4.964 2.183 0.000) 5.423 11.536 ( -3.152 0.790 0.000) 3.250 11.621 ( 2.463 2.682 0.000) 3.641 11.669 ( -9.596 -1.122 0.000) 9.661 11.930 ( 5.479 3.964 0.000) 6.763 11.938 ( -6.101 -16.313 0.000) 17.417 12.088 ( 0.395 11.208 0.000) 11.215 12.183 ( 0.228 -0.405 0.000) 0.465 12.202 ( -5.864 -9.299 0.000) 10.993 12.382 ( -1.145 -5.821 0.000) 5.932 12.452 ( -2.344 -2.047 0.000) 3.111 12.602 ( 1.669 6.163 0.000) 6.385 12.704 ( 5.652 -9.940 0.000) 11.435 12.843 ( 0.035 6.288 0.000) 6.288 12.881 ( -2.480 4.018 0.000) 4.722 13.053 ( -1.712 -2.089 0.000) 2.701 13.072 ( 3.073 9.901 0.000) 10.367 13.380 ( 4.370 1.317 0.000) 4.564 13.497 ( 9.988 -5.954 0.000) 11.628 13.605 ( -3.951 1.318 0.000) 4.165 13.917 ( -8.654 -12.174 0.000) 14.936 13.939 ( -3.888 -7.919 0.000) 8.822 14.182 ( -0.292 -14.850 0.000) 14.853 14.546 ( -15.422 10.733 0.000) 18.789 14.584 ( -4.241 1.750 0.000) 4.587 15.614 ( 10.736 -5.391 0.000) 12.014 15.773 ( 2.406 -5.487 0.000) 5.992 16.118 ( 3.795 4.190 0.000) 5.653 16.216 ( 5.842 9.257 0.000) 10.946 16.814 ( -3.708 -7.747 0.000) 8.589 16.931 ( -0.761 -6.504 0.000) 6.548 17.130 ( -5.298 9.622 0.000) 10.984 17.511 ( 1.996 5.598 0.000) 5.943 17.538 ( -6.513 -3.850 0.000) 7.565 18.135 ( 4.212 -0.668 0.000) 4.264 18.160 ( 3.427 -4.116 0.000) 5.355 18.253 ( -4.158 -9.317 0.000) 10.203 18.371 ( 5.750 0.085 0.000) 5.750 18.391 ( 5.995 1.722 0.000) 6.237 18.859 ( -2.042 3.797 0.000) 4.312 18.963 ( -2.990 1.304 0.000) 3.262 18.965 ( -1.439 1.943 0.000) 2.418 19.114 ( -2.282 -0.675 0.000) 2.380 19.276 ( 2.076 1.352 0.000) 2.477 19.462 ( -3.094 10.585 0.000) 11.027 19.483 ( 4.348 -3.898 0.000) 5.840 19.579 ( -3.377 2.667 0.000) 4.303 19.759 ( 2.128 2.506 0.000) 3.288 19.831 ( -4.887 3.251 0.000) 5.870 19.847 ( 1.894 0.167 0.000) 1.901 19.930 ( 5.856 0.778 0.000) 5.908 19.935 ( -0.081 -2.276 0.000) 2.277 20.086 ( -1.178 1.041 0.000) 1.572 20.253 ( 1.755 -4.814 0.000) 5.124 20.307 ( -1.262 -6.024 0.000) 6.155 20.499 ( 4.295 0.851 0.000) 4.379 20.624 ( 4.716 -5.192 0.000) 7.014 20.756 ( 5.748 -2.503 0.000) 6.270 20.793 ( 0.098 0.028 0.000) 0.102 20.870 ( -0.508 -0.660 0.000) 0.833 20.942 ( -1.637 -0.899 0.000) 1.868 21.055 ( -1.353 0.642 0.000) 1.498 21.062 ( -1.364 1.103 0.000) 1.754 21.154 ( -1.043 -2.189 0.000) 2.425 21.173 ( 0.168 -1.658 0.000) 1.666 21.630 ( -3.612 3.042 0.000) 4.722 21.858 ( -5.352 0.583 0.000) 5.384 27.934 ( 1.677 2.311 0.000) 2.856 28.119 ( 0.049 -2.190 0.000) 2.190 28.206 ( 0.214 2.164 0.000) 2.175 28.246 ( -1.129 -0.143 0.000) 1.138 28.292 ( -0.157 -0.006 0.000) 0.157 28.302 ( -0.548 1.976 0.000) 2.051 28.444 ( 0.282 -1.255 0.000) 1.286 28.460 ( 0.731 -2.455 0.000) 2.562 36.702 ( 5.927 2.549 0.000) 6.452 36.836 ( 4.358 0.012 0.000) 4.358 36.902 ( 5.932 9.282 0.000) 11.016 37.088 ( 1.404 0.807 0.000) 1.620 37.171 ( -0.602 -1.323 0.000) 1.454 37.251 ( 0.014 4.848 0.000) 4.848 37.561 ( 0.928 -1.067 0.000) 1.414 37.614 ( -0.316 -1.534 0.000) 1.566 37.637 ( 0.945 -6.568 0.000) 6.636 37.701 ( 3.286 -6.350 0.000) 7.150 38.073 ( 3.791 8.983 0.000) 9.750 38.696 ( -0.101 12.553 0.000) 12.553 38.941 ( -4.168 -8.722 0.000) 9.667 39.176 ( -28.479 24.606 0.000) 37.637 39.809 ( -13.902 -4.330 0.000) 14.561 39.929 ( -13.514 -15.024 0.000) 20.208 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 27.831 -10.352 0.000) 29.694 1.225 ( 18.173 10.083 0.000) 20.782 1.700 ( 12.163 21.957 0.000) 25.101 1.704 ( 7.910 -2.355 0.000) 8.253 1.835 ( -0.697 4.029 0.000) 4.089 1.867 ( 6.203 1.123 0.000) 6.304 1.932 ( 0.969 -6.839 0.000) 6.907 2.027 ( -2.519 -3.583 0.000) 4.380 2.048 ( 0.099 9.186 0.000) 9.187 2.112 ( 10.095 -2.067 0.000) 10.304 2.135 ( 1.103 1.505 0.000) 1.866 2.156 ( -1.224 -2.805 0.000) 3.060 2.382 ( -4.894 -1.095 0.000) 5.015 2.398 ( -4.413 0.169 0.000) 4.416 2.432 ( -2.604 -1.566 0.000) 3.038 2.562 ( -6.449 -0.706 0.000) 6.488 2.589 ( -8.338 0.053 0.000) 8.338 2.647 ( -5.959 -1.813 0.000) 6.229 2.711 ( -1.093 0.647 0.000) 1.270 2.798 ( -7.383 2.023 0.000) 7.655 2.874 ( 2.661 -1.224 0.000) 2.929 3.002 ( -0.241 -6.546 0.000) 6.550 3.231 ( 3.823 0.419 0.000) 3.846 3.419 ( 0.022 -4.582 0.000) 4.582 3.882 ( 3.706 4.137 0.000) 5.554 4.059 ( -1.066 0.098 0.000) 1.070 4.237 ( 7.644 1.515 0.000) 7.793 4.420 ( 6.790 -5.719 0.000) 8.878 4.570 ( 6.574 -5.698 0.000) 8.700 4.824 ( 3.854 1.363 0.000) 4.088 4.867 ( -0.216 -11.428 0.000) 11.430 5.069 ( -0.856 -3.742 0.000) 3.839 5.243 ( 9.049 3.928 0.000) 9.865 5.380 ( 7.034 1.290 0.000) 7.151 5.613 ( 4.437 1.300 0.000) 4.623 5.758 ( -1.579 -0.725 0.000) 1.737 5.825 ( 0.724 2.675 0.000) 2.771 5.866 ( 7.528 3.810 0.000) 8.438 5.915 ( 1.169 5.206 0.000) 5.336 6.381 ( 3.596 10.946 0.000) 11.522 6.747 ( 2.973 0.969 0.000) 3.127 6.854 ( -14.382 -14.312 0.000) 20.290 6.870 ( -14.969 -17.477 0.000) 23.011 7.103 ( -0.483 1.975 0.000) 2.033 7.237 ( -11.947 -3.569 0.000) 12.469 7.521 ( -13.487 1.974 0.000) 13.631 7.731 ( 2.957 11.041 0.000) 11.430 7.951 ( 0.036 9.744 0.000) 9.744 8.058 ( 0.630 3.135 0.000) 3.197 8.208 ( -3.728 -3.379 0.000) 5.031 8.509 ( -1.924 5.082 0.000) 5.434 8.583 ( -0.852 1.420 0.000) 1.656 8.696 ( -0.906 -2.076 0.000) 2.265 8.763 ( 0.066 -0.943 0.000) 0.945 8.920 ( 7.730 -6.970 0.000) 10.408 8.934 ( 6.475 -5.123 0.000) 8.256 9.140 ( -0.129 0.278 0.000) 0.307 9.273 ( 3.334 -5.596 0.000) 6.514 9.312 ( 3.480 4.426 0.000) 5.631 9.409 ( -1.698 -3.766 0.000) 4.131 9.483 ( 5.718 0.671 0.000) 5.757 9.601 ( 5.316 2.751 0.000) 5.986 9.730 ( 4.692 -6.936 0.000) 8.374 9.775 ( 0.368 1.921 0.000) 1.956 9.891 ( -1.073 2.722 0.000) 2.926 10.066 ( -5.593 -5.709 0.000) 7.992 10.217 ( 6.957 2.115 0.000) 7.272 10.246 ( 6.433 -4.732 0.000) 7.986 10.387 ( 4.036 8.047 0.000) 9.003 10.681 ( 3.319 6.281 0.000) 7.104 10.736 ( -5.663 7.969 0.000) 9.776 10.883 ( -1.366 3.946 0.000) 4.175 10.947 ( 5.182 3.468 0.000) 6.235 11.073 ( 9.635 2.062 0.000) 9.853 11.104 ( -3.885 0.487 0.000) 3.916 11.261 ( 1.647 5.107 0.000) 5.366 11.337 ( -2.767 -2.922 0.000) 4.025 11.387 ( -4.273 -5.969 0.000) 7.341 11.444 ( -4.237 -0.740 0.000) 4.301 11.549 ( -0.381 -3.699 0.000) 3.719 11.682 ( -1.997 -1.650 0.000) 2.590 11.838 ( 0.474 -4.340 0.000) 4.366 11.971 ( -5.333 1.555 0.000) 5.555 12.062 ( -6.963 -13.062 0.000) 14.802 12.083 ( 4.558 3.781 0.000) 5.922 12.209 ( -2.940 3.373 0.000) 4.475 12.342 ( 1.809 2.029 0.000) 2.718 12.485 ( 3.060 10.520 0.000) 10.956 12.586 ( -3.410 9.419 0.000) 10.017 12.760 ( -1.352 -1.614 0.000) 2.105 12.850 ( 0.091 4.835 0.000) 4.836 12.901 ( 2.274 -0.994 0.000) 2.482 13.053 ( 2.775 1.055 0.000) 2.969 13.098 ( 1.534 6.372 0.000) 6.554 13.453 ( 1.692 -11.168 0.000) 11.296 13.521 ( -2.824 -1.003 0.000) 2.997 13.524 ( -5.712 1.725 0.000) 5.966 13.794 ( -4.160 -11.889 0.000) 12.596 13.860 ( -2.277 4.256 0.000) 4.826 14.149 ( -1.831 -13.808 0.000) 13.929 14.273 ( -9.304 -0.654 0.000) 9.327 14.442 ( -9.629 -4.560 0.000) 10.654 15.798 ( 6.490 -2.239 0.000) 6.865 15.821 ( 2.310 -3.102 0.000) 3.868 16.243 ( 8.116 -2.790 0.000) 8.582 16.369 ( 8.524 6.721 0.000) 10.855 16.721 ( -5.253 -10.065 0.000) 11.354 16.866 ( -5.540 -3.284 0.000) 6.441 17.096 ( 1.408 5.978 0.000) 6.141 17.396 ( -6.945 -1.955 0.000) 7.215 17.573 ( 4.055 5.177 0.000) 6.576 18.032 ( -10.261 -4.644 0.000) 11.263 18.244 ( 6.138 -1.269 0.000) 6.268 18.329 ( 6.072 -4.992 0.000) 7.860 18.507 ( 6.651 1.405 0.000) 6.798 18.508 ( 5.641 4.626 0.000) 7.295 18.813 ( -2.202 4.955 0.000) 5.422 18.879 ( -4.873 2.520 0.000) 5.486 18.930 ( -1.900 2.086 0.000) 2.822 19.053 ( -3.736 -0.847 0.000) 3.831 19.328 ( 2.938 1.285 0.000) 3.206 19.404 ( -1.690 4.589 0.000) 4.890 19.508 ( -3.000 0.741 0.000) 3.091 19.556 ( 1.103 -2.438 0.000) 2.676 19.791 ( 0.893 -1.028 0.000) 1.361 19.841 ( 4.895 2.210 0.000) 5.370 19.891 ( 2.017 -0.076 0.000) 2.019 19.940 ( 0.658 -1.539 0.000) 1.674 20.044 ( 5.112 0.735 0.000) 5.164 20.061 ( -0.990 0.647 0.000) 1.183 20.251 ( -1.276 -1.304 0.000) 1.824 20.252 ( -4.137 -4.756 0.000) 6.303 20.613 ( 6.059 -0.510 0.000) 6.081 20.705 ( 3.265 -3.775 0.000) 4.991 20.798 ( 0.504 -0.485 0.000) 0.700 20.836 ( 1.765 -0.851 0.000) 1.960 20.861 ( 0.482 -0.493 0.000) 0.689 20.901 ( -1.908 1.325 0.000) 2.323 21.025 ( -1.493 -0.697 0.000) 1.648 21.029 ( -1.903 1.280 0.000) 2.293 21.122 ( -1.702 -4.697 0.000) 4.996 21.175 ( -0.255 -3.620 0.000) 3.629 21.545 ( -3.904 5.939 0.000) 7.107 21.734 ( -6.688 3.798 0.000) 7.691 27.975 ( 2.326 2.325 0.000) 3.289 28.114 ( -0.809 -1.201 0.000) 1.448 28.209 ( 0.067 0.883 0.000) 0.886 28.220 ( -1.110 -0.662 0.000) 1.293 28.289 ( -0.149 1.026 0.000) 1.036 28.291 ( -0.419 2.155 0.000) 2.195 28.454 ( 0.621 -1.300 0.000) 1.441 28.473 ( 0.462 -1.803 0.000) 1.861 36.860 ( 8.818 2.162 0.000) 9.079 36.941 ( 5.365 0.651 0.000) 5.404 37.040 ( 5.402 5.053 0.000) 7.397 37.150 ( 6.034 4.601 0.000) 7.588 37.155 ( -1.159 -0.932 0.000) 1.487 37.263 ( 1.671 6.110 0.000) 6.334 37.560 ( -1.104 0.690 0.000) 1.302 37.606 ( -0.433 -0.988 0.000) 1.078 37.630 ( -2.156 -2.361 0.000) 3.198 37.701 ( -3.005 2.752 0.000) 4.074 38.210 ( 9.781 -0.096 0.000) 9.781 38.712 ( 1.409 8.081 0.000) 8.203 38.783 ( -9.470 12.037 0.000) 15.315 38.830 ( -6.318 -8.406 0.000) 10.516 39.427 ( -22.371 -5.214 0.000) 22.970 39.569 ( -20.304 -11.109 0.000) 23.145 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 27.151 -13.993 0.000) 30.545 1.550 ( 12.882 3.578 0.000) 13.370 1.765 ( -6.484 1.322 0.000) 6.617 1.800 ( -18.176 -8.504 0.000) 20.068 1.874 ( 6.212 1.510 0.000) 6.393 1.881 ( 4.872 10.941 0.000) 11.977 1.959 ( 1.375 -2.306 0.000) 2.685 1.961 ( 1.760 -1.553 0.000) 2.347 2.080 ( 3.519 5.259 0.000) 6.328 2.141 ( 0.504 4.275 0.000) 4.305 2.169 ( 2.379 -1.756 0.000) 2.957 2.240 ( -2.864 -2.158 0.000) 3.586 2.302 ( -2.386 1.986 0.000) 3.105 2.320 ( -2.765 -0.851 0.000) 2.893 2.401 ( -1.452 0.191 0.000) 1.465 2.422 ( 1.372 -0.912 0.000) 1.647 2.495 ( -3.319 -1.365 0.000) 3.589 2.504 ( -6.032 -3.184 0.000) 6.820 2.691 ( -0.555 2.911 0.000) 2.964 2.708 ( -2.367 4.865 0.000) 5.410 2.926 ( 2.491 -2.388 0.000) 3.451 2.975 ( -2.166 -4.032 0.000) 4.577 3.321 ( 4.507 -1.180 0.000) 4.659 3.396 ( -2.506 -2.951 0.000) 3.872 3.957 ( 3.456 3.217 0.000) 4.721 4.019 ( -2.619 1.744 0.000) 3.147 4.382 ( 6.071 1.862 0.000) 6.350 4.465 ( -1.556 0.268 0.000) 1.579 4.716 ( 6.814 -5.990 0.000) 9.073 4.828 ( -3.816 -8.472 0.000) 9.292 4.926 ( 5.686 -9.031 0.000) 10.672 5.024 ( -3.505 -9.515 0.000) 10.140 5.406 ( 5.859 4.636 0.000) 7.472 5.460 ( 0.711 5.410 0.000) 5.457 5.658 ( 1.354 0.003 0.000) 1.354 5.701 ( -2.934 -0.451 0.000) 2.968 5.865 ( 2.204 1.308 0.000) 2.563 5.894 ( -0.441 -0.102 0.000) 0.453 6.161 ( 15.974 -1.010 0.000) 16.006 6.479 ( 6.461 10.069 0.000) 11.963 6.503 ( -17.510 -10.663 0.000) 20.501 6.642 ( -9.313 0.191 0.000) 9.315 6.836 ( 6.115 0.724 0.000) 6.158 7.004 ( -10.247 0.179 0.000) 10.248 7.130 ( 3.765 1.471 0.000) 4.042 7.272 ( -10.058 2.094 0.000) 10.274 7.805 ( 4.486 17.099 0.000) 17.678 7.902 ( -4.261 19.056 0.000) 19.527 8.094 ( 2.176 -0.512 0.000) 2.236 8.143 ( -2.724 -1.496 0.000) 3.108 8.487 ( 0.914 2.401 0.000) 2.569 8.537 ( -3.178 0.039 0.000) 3.178 8.698 ( 0.701 -0.966 0.000) 1.194 8.726 ( -2.067 1.445 0.000) 2.522 9.054 ( 4.706 -9.194 0.000) 10.329 9.085 ( 3.715 -7.207 0.000) 8.108 9.176 ( 5.169 -4.119 0.000) 6.609 9.295 ( -2.849 -2.745 0.000) 3.957 9.344 ( 0.959 -0.295 0.000) 1.003 9.373 ( -1.653 -2.568 0.000) 3.054 9.603 ( 5.004 1.545 0.000) 5.238 9.648 ( 0.265 1.208 0.000) 1.237 9.780 ( 1.052 -0.820 0.000) 1.334 9.804 ( 1.316 -4.295 0.000) 4.492 9.885 ( -0.157 1.726 0.000) 1.733 9.921 ( -5.757 -0.774 0.000) 5.808 10.371 ( 7.582 -0.295 0.000) 7.588 10.451 ( 6.886 -6.514 0.000) 9.479 10.506 ( 8.352 5.433 0.000) 9.964 10.607 ( -2.869 -2.471 0.000) 3.786 10.717 ( -2.067 -1.070 0.000) 2.328 10.736 ( -10.515 5.339 0.000) 11.793 10.976 ( 0.108 2.955 0.000) 2.957 11.010 ( -4.160 2.124 0.000) 4.671 11.244 ( 4.371 1.219 0.000) 4.538 11.317 ( -2.628 -5.631 0.000) 6.214 11.320 ( 2.729 -0.055 0.000) 2.729 11.372 ( -3.023 -2.089 0.000) 3.675 11.430 ( 9.744 2.733 0.000) 10.120 11.554 ( -6.273 -0.571 0.000) 6.299 11.619 ( 7.566 -9.821 0.000) 12.398 11.874 ( -12.612 -15.467 0.000) 19.957 11.881 ( -1.175 2.563 0.000) 2.819 11.897 ( -0.281 6.671 0.000) 6.677 12.161 ( 3.029 9.626 0.000) 10.092 12.182 ( 3.317 7.640 0.000) 8.329 12.426 ( 2.477 0.797 0.000) 2.602 12.487 ( -3.448 3.864 0.000) 5.179 12.543 ( 2.335 8.369 0.000) 8.689 12.667 ( -7.144 6.878 0.000) 9.917 12.818 ( -0.526 9.453 0.000) 9.468 12.867 ( -4.090 8.197 0.000) 9.161 13.178 ( 8.242 -2.342 0.000) 8.568 13.215 ( 8.519 -2.981 0.000) 9.025 13.364 ( -8.603 -2.911 0.000) 9.082 13.398 ( -7.174 -8.314 0.000) 10.981 13.539 ( 5.112 -2.375 0.000) 5.636 13.680 ( -7.239 -3.077 0.000) 7.865 13.938 ( 9.982 1.073 0.000) 10.040 14.128 ( -1.324 -8.438 0.000) 8.541 14.168 ( -2.185 -7.157 0.000) 7.483 14.209 ( -11.539 -6.887 0.000) 13.437 15.863 ( 1.595 -1.818 0.000) 2.418 15.873 ( 1.141 -1.410 0.000) 1.814 16.426 ( 9.136 -8.062 0.000) 12.184 16.545 ( 7.639 2.135 0.000) 7.932 16.600 ( -5.872 -9.910 0.000) 11.519 16.725 ( -7.978 -0.594 0.000) 8.000 17.158 ( 4.300 2.469 0.000) 4.958 17.263 ( -5.954 -0.005 0.000) 5.954 17.677 ( 6.185 4.046 0.000) 7.390 17.830 ( -8.898 0.877 0.000) 8.941 18.364 ( 4.873 -2.666 0.000) 5.555 18.410 ( 0.982 -4.517 0.000) 4.622 18.613 ( 3.884 4.513 0.000) 5.954 18.614 ( 3.459 1.501 0.000) 3.771 18.775 ( -1.584 6.349 0.000) 6.543 18.785 ( -3.503 4.023 0.000) 5.335 18.907 ( 0.651 1.618 0.000) 1.744 18.967 ( -4.334 0.015 0.000) 4.334 19.382 ( 2.296 0.760 0.000) 2.419 19.428 ( 3.961 1.885 0.000) 4.387 19.441 ( -3.363 -0.324 0.000) 3.378 19.519 ( -4.087 1.646 0.000) 4.406 19.861 ( 4.396 -5.438 0.000) 6.993 19.909 ( 0.069 -1.764 0.000) 1.765 19.931 ( 2.710 -0.432 0.000) 2.745 19.955 ( 0.380 -1.956 0.000) 1.993 20.056 ( 1.098 1.205 0.000) 1.631 20.115 ( -1.179 -2.541 0.000) 2.801 20.166 ( -0.650 1.012 0.000) 1.203 20.212 ( -2.448 0.681 0.000) 2.541 20.715 ( 3.390 -1.955 0.000) 3.913 20.743 ( 0.378 -2.934 0.000) 2.958 20.808 ( 0.330 0.357 0.000) 0.486 20.825 ( -1.302 1.389 0.000) 1.904 20.894 ( 1.626 1.297 0.000) 2.080 20.911 ( 2.135 -1.431 0.000) 2.571 20.985 ( -1.840 1.681 0.000) 2.493 20.995 ( -1.510 -1.074 0.000) 1.853 21.107 ( 0.707 -6.505 0.000) 6.544 21.148 ( -2.430 -6.213 0.000) 6.671 21.513 ( 1.491 8.702 0.000) 8.828 21.598 ( -6.120 6.832 0.000) 9.172 28.027 ( 2.739 1.659 0.000) 3.202 28.081 ( -2.330 0.468 0.000) 2.376 28.208 ( -0.135 -1.227 0.000) 1.234 28.209 ( -0.093 -0.568 0.000) 0.576 28.286 ( -0.090 2.043 0.000) 2.045 28.286 ( -0.101 2.184 0.000) 2.187 28.467 ( 0.611 -1.284 0.000) 1.422 28.476 ( -0.186 -1.402 0.000) 1.414 37.022 ( 6.111 0.890 0.000) 6.176 37.034 ( 3.399 0.559 0.000) 3.445 37.081 ( -0.211 0.852 0.000) 0.878 37.117 ( -2.702 0.315 0.000) 2.720 37.325 ( 7.727 7.949 0.000) 11.086 37.359 ( 9.585 7.510 0.000) 12.177 37.477 ( -6.968 4.370 0.000) 8.225 37.564 ( -7.653 6.562 0.000) 10.081 37.599 ( -0.176 -0.151 0.000) 0.232 37.607 ( -2.045 1.272 0.000) 2.409 38.481 ( 16.134 -5.101 0.000) 16.921 38.679 ( 1.942 1.021 0.000) 2.194 38.701 ( -6.206 -7.719 0.000) 9.905 38.861 ( 10.614 0.102 0.000) 10.614 38.952 ( -22.490 -3.950 0.000) 22.834 39.162 ( -18.325 -5.932 0.000) 19.261 ======================= Grid point 14 (9/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 19.504 0.000) 19.504 1.213 ( 0.000 24.829 0.000) 24.829 1.438 ( 0.000 -9.462 0.000) 9.462 1.648 ( 0.000 -16.932 0.000) 16.932 1.737 ( 0.000 1.621 0.000) 1.621 1.742 ( 0.000 5.691 0.000) 5.691 1.925 ( 0.000 26.600 0.000) 26.600 1.982 ( 0.000 6.531 0.000) 6.531 2.103 ( 0.000 -5.055 0.000) 5.055 2.114 ( 0.000 2.799 0.000) 2.799 2.163 ( 0.000 -0.410 0.000) 0.410 2.251 ( 0.000 13.753 0.000) 13.753 2.384 ( 0.000 -12.242 0.000) 12.242 2.501 ( 0.000 -8.482 0.000) 8.482 2.566 ( 0.000 1.533 0.000) 1.533 2.593 ( 0.000 1.941 0.000) 1.941 2.627 ( 0.000 -5.147 0.000) 5.147 2.634 ( 0.000 -2.210 0.000) 2.210 2.771 ( 0.000 0.114 0.000) 0.114 2.793 ( 0.000 -3.785 0.000) 3.785 2.910 ( 0.000 0.540 0.000) 0.540 2.961 ( 0.000 -4.594 0.000) 4.594 3.217 ( 0.000 3.795 0.000) 3.795 3.307 ( 0.000 -5.131 0.000) 5.131 3.907 ( 0.000 11.068 0.000) 11.068 3.911 ( 0.000 6.824 0.000) 6.824 4.028 ( 0.000 -0.942 0.000) 0.942 4.044 ( 0.000 -4.549 0.000) 4.549 4.362 ( 0.000 0.092 0.000) 0.092 4.541 ( 0.000 -15.419 0.000) 15.419 4.913 ( 0.000 8.171 0.000) 8.171 4.986 ( 0.000 0.625 0.000) 0.625 5.147 ( 0.000 3.139 0.000) 3.139 5.169 ( 0.000 1.135 0.000) 1.135 5.701 ( 0.000 7.385 0.000) 7.385 5.827 ( 0.000 -3.858 0.000) 3.858 5.829 ( 0.000 6.000 0.000) 6.000 5.975 ( 0.000 -7.556 0.000) 7.556 6.217 ( 0.000 35.488 0.000) 35.488 6.354 ( 0.000 10.903 0.000) 10.903 6.716 ( 0.000 -25.940 0.000) 25.940 6.828 ( 0.000 12.534 0.000) 12.534 6.969 ( 0.000 -34.714 0.000) 34.714 7.116 ( 0.000 -13.347 0.000) 13.347 7.212 ( 0.000 4.724 0.000) 4.724 7.403 ( 0.000 -15.545 0.000) 15.545 7.711 ( 0.000 3.269 0.000) 3.269 7.769 ( 0.000 -2.021 0.000) 2.021 8.201 ( 0.000 -2.746 0.000) 2.746 8.250 ( 0.000 -6.536 0.000) 6.536 8.352 ( 0.000 1.768 0.000) 1.768 8.373 ( 0.000 -1.209 0.000) 1.209 8.725 ( 0.000 2.974 0.000) 2.974 8.777 ( 0.000 -1.517 0.000) 1.517 8.959 ( 0.000 2.406 0.000) 2.406 8.986 ( 0.000 -0.191 0.000) 0.191 9.185 ( 0.000 6.141 0.000) 6.141 9.198 ( 0.000 5.344 0.000) 5.344 9.261 ( 0.000 -2.164 0.000) 2.164 9.337 ( 0.000 -7.106 0.000) 7.106 9.366 ( 0.000 0.937 0.000) 0.937 9.374 ( 0.000 0.147 0.000) 0.147 9.717 ( 0.000 3.091 0.000) 3.091 9.751 ( 0.000 2.173 0.000) 2.173 10.011 ( 0.000 0.107 0.000) 0.107 10.030 ( 0.000 -0.964 0.000) 0.964 10.308 ( 0.000 7.669 0.000) 7.669 10.318 ( 0.000 7.014 0.000) 7.014 10.479 ( 0.000 -3.829 0.000) 3.829 10.512 ( 0.000 -12.840 0.000) 12.840 10.788 ( 0.000 17.409 0.000) 17.409 11.012 ( 0.000 1.681 0.000) 1.681 11.083 ( 0.000 3.727 0.000) 3.727 11.129 ( 0.000 9.841 0.000) 9.841 11.136 ( 0.000 -2.464 0.000) 2.464 11.231 ( 0.000 21.938 0.000) 21.938 11.372 ( 0.000 -8.131 0.000) 8.131 11.546 ( 0.000 0.532 0.000) 0.532 11.598 ( 0.000 3.034 0.000) 3.034 11.618 ( 0.000 -12.224 0.000) 12.224 11.739 ( 0.000 -0.598 0.000) 0.598 11.748 ( 0.000 -1.309 0.000) 1.309 11.943 ( 0.000 5.473 0.000) 5.473 12.075 ( 0.000 -14.057 0.000) 14.057 12.078 ( 0.000 -18.767 0.000) 18.767 12.096 ( 0.000 -9.728 0.000) 9.728 12.208 ( 0.000 6.126 0.000) 6.126 12.293 ( 0.000 2.023 0.000) 2.023 12.687 ( 0.000 6.330 0.000) 6.330 12.688 ( 0.000 3.209 0.000) 3.209 12.943 ( 0.000 -4.978 0.000) 4.978 12.950 ( 0.000 -1.456 0.000) 1.456 13.024 ( 0.000 11.134 0.000) 11.134 13.221 ( 0.000 -6.719 0.000) 6.719 13.319 ( 0.000 14.527 0.000) 14.527 13.482 ( 0.000 2.156 0.000) 2.156 13.667 ( 0.000 3.218 0.000) 3.218 13.803 ( 0.000 -3.305 0.000) 3.305 13.866 ( 0.000 -13.139 0.000) 13.139 13.869 ( 0.000 -8.878 0.000) 8.878 14.865 ( 0.000 14.125 0.000) 14.125 15.146 ( 0.000 19.065 0.000) 19.065 15.179 ( 0.000 -15.925 0.000) 15.925 15.502 ( 0.000 -15.430 0.000) 15.430 16.344 ( 0.000 15.371 0.000) 15.371 16.413 ( 0.000 14.560 0.000) 14.560 16.649 ( 0.000 -13.558 0.000) 13.558 16.705 ( 0.000 -13.550 0.000) 13.550 17.362 ( 0.000 6.533 0.000) 6.533 17.493 ( 0.000 -6.491 0.000) 6.491 17.673 ( 0.000 12.234 0.000) 12.234 17.975 ( 0.000 -16.981 0.000) 16.981 18.075 ( 0.000 -0.227 0.000) 0.227 18.078 ( 0.000 -0.464 0.000) 0.464 18.325 ( 0.000 1.153 0.000) 1.153 18.330 ( 0.000 0.811 0.000) 0.811 18.968 ( 0.000 4.000 0.000) 4.000 19.002 ( 0.000 -0.042 0.000) 0.042 19.032 ( 0.000 3.016 0.000) 3.016 19.108 ( 0.000 -3.303 0.000) 3.303 19.313 ( 0.000 3.794 0.000) 3.794 19.387 ( 0.000 -2.996 0.000) 2.996 19.737 ( 0.000 5.837 0.000) 5.837 19.758 ( 0.000 7.107 0.000) 7.107 19.820 ( 0.000 -2.012 0.000) 2.012 19.842 ( 0.000 1.050 0.000) 1.050 19.849 ( 0.000 9.905 0.000) 9.905 19.869 ( 0.000 -5.806 0.000) 5.806 19.880 ( 0.000 -2.643 0.000) 2.643 20.054 ( 0.000 -7.989 0.000) 7.989 20.099 ( 0.000 1.757 0.000) 1.757 20.181 ( 0.000 -6.151 0.000) 6.151 20.473 ( 0.000 0.813 0.000) 0.813 20.494 ( 0.000 -1.365 0.000) 1.365 20.744 ( 0.000 2.775 0.000) 2.775 20.784 ( 0.000 -1.167 0.000) 1.167 20.870 ( 0.000 0.929 0.000) 0.929 20.910 ( 0.000 -2.625 0.000) 2.625 21.104 ( 0.000 1.876 0.000) 1.876 21.108 ( 0.000 1.640 0.000) 1.640 21.140 ( 0.000 -1.521 0.000) 1.521 21.142 ( 0.000 -1.634 0.000) 1.634 21.734 ( 0.000 4.130 0.000) 4.130 21.831 ( 0.000 -5.156 0.000) 5.156 27.975 ( 0.000 3.707 0.000) 3.707 28.053 ( 0.000 -3.805 0.000) 3.805 28.264 ( 0.000 0.566 0.000) 0.566 28.278 ( 0.000 4.477 0.000) 4.477 28.279 ( 0.000 -0.814 0.000) 0.814 28.356 ( 0.000 2.551 0.000) 2.551 28.373 ( 0.000 -4.569 0.000) 4.569 28.406 ( 0.000 -2.240 0.000) 2.240 36.710 ( 0.000 3.765 0.000) 3.765 36.769 ( 0.000 -1.758 0.000) 1.758 37.079 ( 0.000 13.619 0.000) 13.619 37.101 ( 0.000 1.891 0.000) 1.891 37.144 ( 0.000 -2.135 0.000) 2.135 37.353 ( 0.000 -12.426 0.000) 12.426 37.363 ( 0.000 6.225 0.000) 6.225 37.493 ( 0.000 -6.382 0.000) 6.382 37.580 ( 0.000 -1.153 0.000) 1.153 37.583 ( 0.000 -1.263 0.000) 1.263 38.385 ( 0.000 18.058 0.000) 18.058 38.734 ( 0.000 -15.560 0.000) 15.560 39.107 ( 0.000 24.540 0.000) 24.540 39.631 ( 0.000 -25.639 0.000) 25.639 39.748 ( 0.000 4.947 0.000) 4.947 39.858 ( 0.000 -5.569 0.000) 5.569 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -9.195 27.913 0.000) 29.388 1.294 ( 7.303 21.290 0.000) 22.508 1.439 ( 0.242 -13.218 0.000) 13.220 1.671 ( 2.563 -15.193 0.000) 15.407 1.774 ( 4.170 1.350 0.000) 4.383 1.805 ( 5.584 -1.757 0.000) 5.854 1.967 ( 0.896 11.501 0.000) 11.536 2.012 ( 5.521 17.553 0.000) 18.401 2.081 ( -1.811 -0.152 0.000) 1.817 2.107 ( -0.493 -2.353 0.000) 2.404 2.145 ( -0.573 0.367 0.000) 0.680 2.263 ( 0.887 12.570 0.000) 12.601 2.364 ( -1.904 -9.314 0.000) 9.506 2.474 ( -3.177 -2.626 0.000) 4.122 2.501 ( -5.144 -0.036 0.000) 5.144 2.543 ( -1.759 -6.857 0.000) 7.079 2.686 ( 2.699 0.328 0.000) 2.719 2.697 ( 1.789 -0.840 0.000) 1.976 2.799 ( -2.664 0.454 0.000) 2.702 2.801 ( 2.183 -0.024 0.000) 2.183 2.854 ( -2.186 -2.920 0.000) 3.648 2.896 ( -5.711 -4.983 0.000) 7.580 3.216 ( 0.536 2.786 0.000) 2.837 3.296 ( -0.126 -5.255 0.000) 5.256 3.933 ( 1.964 6.381 0.000) 6.676 4.019 ( 3.866 0.648 0.000) 3.920 4.109 ( 10.258 -0.410 0.000) 10.266 4.113 ( 7.596 1.084 0.000) 7.673 4.389 ( 2.627 -0.566 0.000) 2.687 4.554 ( 1.228 -14.900 0.000) 14.950 4.931 ( 0.375 7.479 0.000) 7.488 5.026 ( 1.796 -1.702 0.000) 2.474 5.192 ( 3.641 3.183 0.000) 4.836 5.214 ( 7.016 1.576 0.000) 7.191 5.694 ( -0.640 7.420 0.000) 7.447 5.793 ( -1.859 -0.319 0.000) 1.886 5.862 ( 1.470 2.264 0.000) 2.700 5.942 ( -2.446 -3.846 0.000) 4.558 6.168 ( -3.495 26.376 0.000) 26.606 6.414 ( 4.820 8.465 0.000) 9.741 6.641 ( -7.651 -23.187 0.000) 24.416 6.775 ( -10.192 -22.006 0.000) 24.251 6.844 ( 0.280 12.371 0.000) 12.374 7.159 ( -2.855 -17.203 0.000) 17.438 7.209 ( 1.034 7.095 0.000) 7.170 7.449 ( 5.386 -16.298 0.000) 17.165 7.805 ( 7.803 6.393 0.000) 10.088 7.866 ( 6.777 1.039 0.000) 6.857 8.161 ( -0.714 -4.346 0.000) 4.404 8.173 ( -4.036 -5.494 0.000) 6.817 8.449 ( 5.021 4.211 0.000) 6.553 8.521 ( 10.582 -2.197 0.000) 10.808 8.678 ( -3.835 2.341 0.000) 4.493 8.758 ( 0.511 -3.675 0.000) 3.710 8.938 ( -6.240 3.776 0.000) 7.294 8.941 ( -2.014 1.684 0.000) 2.625 9.069 ( -1.286 0.742 0.000) 1.485 9.170 ( -5.461 -5.613 0.000) 7.831 9.324 ( 3.957 4.086 0.000) 5.688 9.377 ( 1.940 -1.462 0.000) 2.430 9.418 ( 3.098 1.971 0.000) 3.672 9.445 ( 6.977 -0.236 0.000) 6.981 9.725 ( -2.253 1.810 0.000) 2.890 9.734 ( 1.636 -0.253 0.000) 1.655 10.008 ( -2.164 0.777 0.000) 2.299 10.016 ( 0.193 -0.658 0.000) 0.686 10.271 ( -2.276 6.921 0.000) 7.286 10.284 ( -3.968 3.878 0.000) 5.548 10.470 ( -0.120 -1.367 0.000) 1.373 10.544 ( 4.798 -10.802 0.000) 11.820 10.835 ( 2.993 16.312 0.000) 16.584 11.050 ( -1.941 -0.414 0.000) 1.985 11.060 ( -0.085 4.999 0.000) 5.000 11.127 ( -0.869 -2.250 0.000) 2.412 11.155 ( 3.715 8.370 0.000) 9.157 11.244 ( 1.167 18.590 0.000) 18.627 11.362 ( -1.981 -8.882 0.000) 9.100 11.514 ( -5.204 -3.714 0.000) 6.393 11.558 ( -3.754 7.013 0.000) 7.954 11.592 ( 1.340 -6.341 0.000) 6.481 11.620 ( -7.661 -1.146 0.000) 7.746 11.741 ( -0.256 -1.533 0.000) 1.554 11.934 ( -7.994 -12.716 0.000) 15.019 12.002 ( -4.783 -13.799 0.000) 14.605 12.038 ( 6.603 7.214 0.000) 9.779 12.202 ( 4.025 -6.351 0.000) 7.519 12.270 ( 6.037 4.645 0.000) 7.617 12.406 ( 8.707 -4.513 0.000) 9.807 12.690 ( 0.812 2.811 0.000) 2.926 12.701 ( 0.732 4.180 0.000) 4.243 12.947 ( 0.467 -1.217 0.000) 1.304 12.947 ( -0.548 1.514 0.000) 1.610 13.061 ( 3.440 10.569 0.000) 11.114 13.244 ( -1.235 -0.136 0.000) 1.242 13.394 ( 8.928 0.229 0.000) 8.931 13.437 ( -4.556 2.614 0.000) 5.253 13.584 ( -5.255 -1.941 0.000) 5.602 13.683 ( -10.782 -10.424 0.000) 14.997 13.861 ( 3.585 0.752 0.000) 3.663 13.954 ( 1.504 -7.895 0.000) 8.037 14.658 ( -15.737 4.612 0.000) 16.399 14.698 ( -23.282 2.695 0.000) 23.438 15.530 ( 14.467 -0.673 0.000) 14.482 15.618 ( 7.977 -8.016 0.000) 11.309 16.307 ( -2.418 12.720 0.000) 12.947 16.447 ( 2.923 11.233 0.000) 11.607 16.604 ( -3.964 -11.019 0.000) 11.710 16.736 ( 1.736 -12.124 0.000) 12.247 17.297 ( -4.677 7.472 0.000) 8.815 17.435 ( -4.807 -6.112 0.000) 7.776 17.681 ( 0.830 11.041 0.000) 11.073 17.945 ( -2.427 -14.464 0.000) 14.666 18.122 ( 4.187 -0.285 0.000) 4.197 18.134 ( 4.879 -1.706 0.000) 5.169 18.412 ( 6.637 1.688 0.000) 6.848 18.420 ( 7.450 0.793 0.000) 7.492 18.958 ( -0.964 4.912 0.000) 5.006 18.988 ( -1.514 0.785 0.000) 1.706 19.002 ( -2.424 1.744 0.000) 2.986 19.072 ( -2.911 -3.575 0.000) 4.610 19.330 ( 1.616 3.760 0.000) 4.092 19.412 ( 2.321 -3.841 0.000) 4.488 19.621 ( -7.532 4.046 0.000) 8.550 19.640 ( -6.409 1.878 0.000) 6.678 19.844 ( 0.974 2.673 0.000) 2.845 19.878 ( -1.304 1.443 0.000) 1.945 19.882 ( 2.361 6.561 0.000) 6.973 19.887 ( 1.198 -0.684 0.000) 1.380 19.936 ( 5.313 -0.979 0.000) 5.403 20.041 ( -0.885 -6.288 0.000) 6.350 20.156 ( 3.761 -2.642 0.000) 4.596 20.180 ( -0.135 -4.962 0.000) 4.964 20.517 ( 3.913 0.944 0.000) 4.025 20.545 ( 4.285 -2.198 0.000) 4.816 20.765 ( 2.011 1.391 0.000) 2.445 20.787 ( 0.352 -0.673 0.000) 0.759 20.871 ( 0.030 1.020 0.000) 1.020 20.907 ( -0.256 -2.199 0.000) 2.214 21.080 ( -2.203 1.562 0.000) 2.701 21.091 ( -1.540 1.300 0.000) 2.015 21.122 ( -1.782 -1.155 0.000) 2.124 21.136 ( -0.647 -1.810 0.000) 1.922 21.710 ( -2.108 4.647 0.000) 5.103 21.806 ( -2.265 -4.429 0.000) 4.974 27.991 ( 1.434 3.269 0.000) 3.570 28.061 ( 0.677 -3.405 0.000) 3.472 28.249 ( -1.438 1.031 0.000) 1.770 28.249 ( -1.324 0.353 0.000) 1.370 28.304 ( 1.028 2.019 0.000) 2.266 28.339 ( -0.767 0.755 0.000) 1.076 28.402 ( 1.759 -2.206 0.000) 2.822 28.412 ( 0.578 -1.783 0.000) 1.875 36.770 ( 5.566 3.524 0.000) 6.587 36.823 ( 4.939 -1.513 0.000) 5.165 37.081 ( 0.486 4.233 0.000) 4.261 37.136 ( -0.442 -2.158 0.000) 2.203 37.179 ( 6.852 11.451 0.000) 13.344 37.372 ( 0.950 6.724 0.000) 6.790 37.442 ( 7.087 -12.153 0.000) 14.069 37.508 ( 1.729 -6.209 0.000) 6.445 37.583 ( 0.081 -1.083 0.000) 1.086 37.586 ( 0.660 -1.985 0.000) 2.092 38.360 ( -2.177 16.817 0.000) 16.957 38.694 ( -3.742 -15.177 0.000) 15.632 39.053 ( -4.814 21.885 0.000) 22.408 39.503 ( -20.680 11.054 0.000) 23.449 39.526 ( -9.802 -23.277 0.000) 25.256 39.687 ( -15.745 -7.554 0.000) 17.464 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 4.226 25.382 0.000) 25.732 1.462 ( 2.831 -18.787 0.000) 18.999 1.475 ( 8.628 10.268 0.000) 13.412 1.731 ( 2.675 -11.301 0.000) 11.613 1.897 ( 6.588 2.700 0.000) 7.120 1.931 ( 3.829 1.955 0.000) 4.299 1.979 ( 3.179 4.470 0.000) 5.485 2.042 ( -2.299 2.464 0.000) 3.370 2.090 ( -0.636 -2.234 0.000) 2.322 2.134 ( 2.961 -0.477 0.000) 2.999 2.165 ( 3.963 8.022 0.000) 8.947 2.272 ( -0.734 11.833 0.000) 11.856 2.329 ( -0.232 -5.213 0.000) 5.218 2.390 ( -4.879 -0.707 0.000) 4.930 2.397 ( -5.064 -1.132 0.000) 5.189 2.487 ( -3.525 -7.528 0.000) 8.313 2.583 ( -10.783 0.161 0.000) 10.784 2.607 ( -9.316 -1.905 0.000) 9.509 2.763 ( 0.574 4.093 0.000) 4.133 2.819 ( -0.971 0.082 0.000) 0.974 2.845 ( 1.396 -1.640 0.000) 2.154 2.876 ( 1.716 -4.537 0.000) 4.850 3.251 ( 2.677 1.790 0.000) 3.221 3.316 ( 1.579 -4.702 0.000) 4.960 3.981 ( 2.374 4.817 0.000) 5.371 4.046 ( 0.201 -1.479 0.000) 1.492 4.290 ( 8.637 3.579 0.000) 9.349 4.350 ( 10.006 -1.644 0.000) 10.140 4.469 ( 5.268 -1.893 0.000) 5.598 4.589 ( 2.091 -12.578 0.000) 12.750 4.910 ( -2.003 5.341 0.000) 5.704 5.004 ( -3.257 -3.667 0.000) 4.905 5.333 ( 8.518 4.363 0.000) 9.570 5.391 ( 8.474 -0.908 0.000) 8.522 5.684 ( -0.216 5.265 0.000) 5.270 5.750 ( -2.331 -0.878 0.000) 2.490 5.884 ( 0.643 2.203 0.000) 2.295 5.893 ( -1.993 0.479 0.000) 2.050 6.141 ( 1.289 13.097 0.000) 13.160 6.444 ( -9.455 -18.655 0.000) 20.914 6.495 ( 2.446 2.966 0.000) 3.844 6.632 ( -4.776 -10.366 0.000) 11.413 6.840 ( 0.354 8.848 0.000) 8.855 7.057 ( -5.642 -11.381 0.000) 12.703 7.258 ( 2.973 12.605 0.000) 12.951 7.508 ( -1.244 -8.139 0.000) 8.234 7.974 ( 3.949 2.672 0.000) 4.768 7.982 ( 9.070 11.597 0.000) 14.722 8.112 ( -2.111 -4.645 0.000) 5.102 8.208 ( 3.804 -0.745 0.000) 3.876 8.486 ( 1.147 -0.519 0.000) 1.259 8.578 ( -3.917 -4.021 0.000) 5.614 8.765 ( -7.420 7.944 0.000) 10.871 8.775 ( 11.125 4.780 0.000) 12.109 8.874 ( 5.974 -1.142 0.000) 6.082 8.876 ( -3.308 -2.167 0.000) 3.955 9.071 ( -4.077 -5.641 0.000) 6.961 9.085 ( 2.182 -9.187 0.000) 9.443 9.392 ( 2.327 2.769 0.000) 3.617 9.398 ( -0.664 1.883 0.000) 1.997 9.491 ( 4.976 1.213 0.000) 5.122 9.570 ( 3.877 -6.029 0.000) 7.169 9.696 ( 1.119 4.521 0.000) 4.657 9.774 ( 1.761 -2.389 0.000) 2.968 9.944 ( -3.636 2.200 0.000) 4.250 9.984 ( -4.155 -2.351 0.000) 4.774 10.229 ( 1.122 1.722 0.000) 2.055 10.262 ( 1.898 0.288 0.000) 1.920 10.519 ( 5.440 6.514 0.000) 8.487 10.702 ( 9.193 -10.585 0.000) 14.020 10.832 ( -4.816 6.818 0.000) 8.348 10.887 ( -12.128 1.459 0.000) 12.215 11.057 ( -0.736 3.511 0.000) 3.587 11.102 ( -1.733 -1.050 0.000) 2.027 11.225 ( -0.174 7.460 0.000) 7.462 11.272 ( 2.296 5.583 0.000) 6.037 11.284 ( -3.582 -3.377 0.000) 4.923 11.402 ( -4.111 -3.676 0.000) 5.515 11.435 ( -5.285 7.235 0.000) 8.960 11.565 ( -0.030 2.734 0.000) 2.734 11.611 ( -1.984 -2.562 0.000) 3.240 11.718 ( -9.088 -17.953 0.000) 20.122 11.852 ( 7.706 1.707 0.000) 7.893 11.923 ( -0.916 -4.635 0.000) 4.725 12.200 ( 8.668 7.219 0.000) 11.280 12.279 ( 3.896 1.724 0.000) 4.260 12.398 ( 5.662 6.014 0.000) 8.260 12.590 ( 8.189 -6.641 0.000) 10.544 12.685 ( -2.603 0.051 0.000) 2.603 12.724 ( 1.656 0.053 0.000) 1.656 12.922 ( -1.333 5.337 0.000) 5.501 12.971 ( 1.866 3.599 0.000) 4.054 13.124 ( 0.848 6.331 0.000) 6.388 13.192 ( -2.881 1.451 0.000) 3.226 13.315 ( -6.180 -1.264 0.000) 6.308 13.437 ( -10.875 -11.305 0.000) 15.687 13.518 ( -0.084 2.292 0.000) 2.293 13.614 ( 9.105 -4.747 0.000) 10.268 13.919 ( 1.929 1.041 0.000) 2.192 13.933 ( -3.191 -4.159 0.000) 5.242 14.265 ( -17.864 0.962 0.000) 17.890 14.339 ( -14.391 -5.510 0.000) 15.409 15.752 ( 7.539 -1.574 0.000) 7.701 15.758 ( 5.408 -2.249 0.000) 5.857 16.280 ( 0.027 6.372 0.000) 6.372 16.469 ( -3.410 -9.749 0.000) 10.329 16.555 ( 2.010 7.493 0.000) 7.758 16.740 ( -1.432 -8.495 0.000) 8.615 17.224 ( -2.015 6.176 0.000) 6.496 17.333 ( -4.698 -4.325 0.000) 6.386 17.712 ( 2.274 8.189 0.000) 8.499 17.889 ( -2.946 -8.704 0.000) 9.189 18.229 ( 5.759 -0.037 0.000) 5.759 18.251 ( 5.953 -2.447 0.000) 6.437 18.547 ( 5.811 2.125 0.000) 6.187 18.566 ( 6.185 0.754 0.000) 6.231 18.921 ( -2.371 4.897 0.000) 5.441 18.933 ( -3.484 2.279 0.000) 4.163 18.963 ( -1.278 0.796 0.000) 1.505 19.016 ( -2.623 -3.029 0.000) 4.007 19.378 ( 2.914 3.840 0.000) 4.821 19.474 ( 2.989 -5.090 0.000) 5.903 19.491 ( -4.683 3.330 0.000) 5.746 19.525 ( -4.131 0.062 0.000) 4.132 19.824 ( -3.613 4.046 0.000) 5.425 19.871 ( 1.087 0.042 0.000) 1.088 19.912 ( 1.087 -0.711 0.000) 1.299 19.916 ( 0.188 1.877 0.000) 1.886 20.018 ( 3.211 -3.187 0.000) 4.525 20.037 ( 0.812 -2.829 0.000) 2.943 20.182 ( 0.467 -0.354 0.000) 0.586 20.211 ( 1.421 -2.264 0.000) 2.674 20.609 ( 4.545 0.338 0.000) 4.558 20.635 ( 3.956 -2.450 0.000) 4.653 20.801 ( 1.088 0.612 0.000) 1.248 20.817 ( 2.873 -0.918 0.000) 3.016 20.870 ( -0.182 1.289 0.000) 1.302 20.901 ( -0.312 -1.298 0.000) 1.335 21.025 ( -2.869 0.943 0.000) 3.020 21.053 ( -2.153 -0.919 0.000) 2.341 21.071 ( -2.877 0.858 0.000) 3.003 21.112 ( -1.742 -2.543 0.000) 3.082 21.665 ( -1.883 5.416 0.000) 5.735 21.747 ( -3.319 -2.230 0.000) 3.998 28.026 ( 1.829 2.571 0.000) 3.155 28.076 ( 0.732 -2.355 0.000) 2.466 28.218 ( -1.572 0.228 0.000) 1.589 28.221 ( -1.294 0.127 0.000) 1.300 28.319 ( 0.430 1.641 0.000) 1.697 28.328 ( -0.285 1.066 0.000) 1.103 28.427 ( 0.838 -1.004 0.000) 1.308 28.433 ( 1.131 -1.668 0.000) 2.015 36.913 ( 7.545 2.422 0.000) 7.924 36.943 ( 6.064 -0.574 0.000) 6.091 37.095 ( 0.662 1.829 0.000) 1.945 37.130 ( -0.210 -1.563 0.000) 1.577 37.356 ( 9.697 12.581 0.000) 15.885 37.411 ( 3.182 8.454 0.000) 9.033 37.536 ( 2.206 -5.681 0.000) 6.094 37.575 ( 2.128 -1.106 0.000) 2.398 37.587 ( 0.326 -0.604 0.000) 0.686 37.634 ( 4.900 -8.912 0.000) 10.170 38.325 ( -0.167 11.534 0.000) 11.535 38.598 ( -5.074 -13.696 0.000) 14.606 38.942 ( -5.057 14.503 0.000) 15.359 39.052 ( -20.929 12.951 0.000) 24.612 39.261 ( -17.545 -13.881 0.000) 22.372 39.291 ( -18.806 -12.382 0.000) 22.516 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 15.640 3.530 0.000) 16.033 1.439 ( -7.421 -19.422 0.000) 20.791 1.650 ( 7.213 5.287 0.000) 8.943 1.747 ( -1.875 -3.460 0.000) 3.935 1.951 ( 0.989 2.014 0.000) 2.244 1.974 ( 0.120 1.049 0.000) 1.056 2.009 ( 1.957 7.751 0.000) 7.995 2.074 ( 1.201 5.320 0.000) 5.454 2.130 ( 4.018 -1.168 0.000) 4.184 2.162 ( 0.767 -2.583 0.000) 2.694 2.238 ( 1.311 1.156 0.000) 1.748 2.246 ( -1.155 8.608 0.000) 8.685 2.280 ( -4.006 -0.391 0.000) 4.025 2.300 ( -3.782 -1.911 0.000) 4.237 2.362 ( 2.440 -4.661 0.000) 5.261 2.398 ( -3.633 0.860 0.000) 3.733 2.426 ( -3.534 -5.899 0.000) 6.877 2.438 ( -5.931 -2.715 0.000) 6.523 2.771 ( 0.518 3.966 0.000) 4.000 2.793 ( -1.493 2.721 0.000) 3.104 2.874 ( 1.284 -2.147 0.000) 2.502 2.891 ( -0.240 -3.453 0.000) 3.462 3.308 ( 2.416 0.206 0.000) 2.424 3.335 ( -0.101 -2.469 0.000) 2.471 4.019 ( 1.303 2.190 0.000) 2.548 4.038 ( -0.742 0.013 0.000) 0.742 4.436 ( 5.242 3.158 0.000) 6.120 4.475 ( 2.115 0.186 0.000) 2.123 4.581 ( 4.453 -4.030 0.000) 6.006 4.622 ( 0.425 -7.741 0.000) 7.752 4.876 ( -0.289 1.140 0.000) 1.176 4.921 ( -4.119 -2.993 0.000) 5.092 5.483 ( 5.175 2.844 0.000) 5.905 5.511 ( 2.667 0.245 0.000) 2.678 5.681 ( 0.038 1.746 0.000) 1.747 5.703 ( -2.057 -0.115 0.000) 2.060 5.876 ( 0.187 -0.255 0.000) 0.317 5.886 ( -0.436 -0.018 0.000) 0.437 6.204 ( 4.112 3.858 0.000) 5.638 6.295 ( -5.271 -6.982 0.000) 8.748 6.522 ( 0.996 -2.581 0.000) 2.767 6.558 ( -2.676 -5.999 0.000) 6.569 6.875 ( 2.874 3.843 0.000) 4.799 6.951 ( -4.572 -3.488 0.000) 5.751 7.323 ( 3.816 12.268 0.000) 12.847 7.423 ( -5.608 4.755 0.000) 7.353 8.040 ( 2.445 -1.205 0.000) 2.726 8.078 ( -1.520 -3.247 0.000) 3.585 8.159 ( 7.550 14.568 0.000) 16.408 8.246 ( -0.681 9.592 0.000) 9.616 8.522 ( -0.696 -1.503 0.000) 1.657 8.554 ( 1.638 0.107 0.000) 1.642 8.623 ( -1.772 -1.514 0.000) 2.331 8.736 ( -6.901 -3.313 0.000) 7.655 8.956 ( 1.833 0.566 0.000) 1.918 8.986 ( -0.280 -0.507 0.000) 0.579 9.058 ( 8.169 -4.762 0.000) 9.455 9.146 ( 1.736 -9.233 0.000) 9.395 9.363 ( -1.941 1.120 0.000) 2.241 9.375 ( -3.210 0.977 0.000) 3.355 9.602 ( 4.560 -0.659 0.000) 4.607 9.622 ( 2.079 -3.208 0.000) 3.823 9.763 ( 2.762 1.395 0.000) 3.095 9.783 ( -0.702 0.226 0.000) 0.738 9.888 ( -1.679 -1.065 0.000) 1.988 9.889 ( -3.164 -1.586 0.000) 3.539 10.348 ( 9.969 -1.980 0.000) 10.164 10.357 ( 7.757 -1.514 0.000) 7.904 10.583 ( -8.882 0.018 0.000) 8.882 10.584 ( -13.805 -0.623 0.000) 13.819 10.738 ( 6.033 7.211 0.000) 9.402 10.863 ( 0.413 1.188 0.000) 1.257 11.041 ( -0.505 3.036 0.000) 3.078 11.060 ( -1.887 1.360 0.000) 2.326 11.196 ( 2.070 0.434 0.000) 2.115 11.262 ( -0.561 -0.936 0.000) 1.091 11.315 ( 1.452 -0.710 0.000) 1.617 11.344 ( -1.744 -1.100 0.000) 2.062 11.398 ( 0.899 -2.222 0.000) 2.397 11.494 ( -9.705 -12.482 0.000) 15.811 11.539 ( -1.501 0.322 0.000) 1.535 11.557 ( -2.978 -4.093 0.000) 5.062 11.983 ( 4.750 4.683 0.000) 6.670 12.013 ( 3.825 2.460 0.000) 4.548 12.378 ( 8.093 7.356 0.000) 10.936 12.386 ( 7.626 7.127 0.000) 10.438 12.475 ( 0.369 8.096 0.000) 8.104 12.565 ( -7.838 6.760 0.000) 10.350 12.715 ( 1.804 -5.359 0.000) 5.655 12.716 ( -1.009 3.914 0.000) 4.042 12.933 ( 1.858 -0.471 0.000) 1.917 12.979 ( -2.473 2.210 0.000) 3.316 13.115 ( 2.264 -0.033 0.000) 2.265 13.159 ( 0.378 -1.910 0.000) 1.947 13.214 ( -3.891 -6.783 0.000) 7.820 13.235 ( -8.158 -7.077 0.000) 10.800 13.600 ( 6.852 8.789 0.000) 11.144 13.719 ( -1.875 5.007 0.000) 5.346 13.886 ( 1.612 -10.932 0.000) 11.050 13.944 ( 0.219 -5.720 0.000) 5.725 14.016 ( -5.365 -1.453 0.000) 5.558 14.093 ( -9.314 -5.566 0.000) 10.851 15.837 ( 2.348 -0.405 0.000) 2.383 15.846 ( 1.832 -1.033 0.000) 2.104 16.308 ( 2.604 -1.887 0.000) 3.216 16.379 ( -4.238 -8.522 0.000) 9.518 16.620 ( 3.394 3.710 0.000) 5.028 16.689 ( -3.235 -2.813 0.000) 4.287 17.213 ( 0.793 2.624 0.000) 2.741 17.253 ( -3.008 -1.190 0.000) 3.235 17.768 ( 3.012 4.279 0.000) 5.233 17.829 ( -2.919 -1.453 0.000) 3.261 18.331 ( 3.502 -0.532 0.000) 3.542 18.344 ( 2.377 -1.941 0.000) 3.069 18.635 ( 2.805 1.025 0.000) 2.986 18.652 ( 1.685 -0.153 0.000) 1.692 18.881 ( -0.899 3.859 0.000) 3.962 18.887 ( -0.844 3.497 0.000) 3.598 18.939 ( -0.768 1.151 0.000) 1.384 18.959 ( -2.554 -0.853 0.000) 2.693 19.402 ( -0.325 1.302 0.000) 1.341 19.430 ( -3.041 -1.094 0.000) 3.232 19.488 ( 4.006 3.843 0.000) 5.551 19.546 ( 0.312 -0.333 0.000) 0.456 19.771 ( 0.171 -1.088 0.000) 1.102 19.837 ( -4.277 -5.237 0.000) 6.761 19.920 ( 0.737 -0.270 0.000) 0.785 19.926 ( 0.257 -0.884 0.000) 0.921 20.066 ( 1.381 -0.030 0.000) 1.381 20.070 ( 1.354 -0.966 0.000) 1.663 20.198 ( 1.056 1.531 0.000) 1.859 20.218 ( -0.567 -0.310 0.000) 0.646 20.682 ( 2.196 -0.852 0.000) 2.356 20.691 ( 1.276 -1.772 0.000) 2.184 20.831 ( 1.664 1.779 0.000) 2.436 20.858 ( -0.654 1.768 0.000) 1.885 20.875 ( 2.016 -2.034 0.000) 2.864 20.897 ( -0.163 -1.308 0.000) 1.318 20.978 ( -1.225 0.085 0.000) 1.228 20.996 ( -2.710 -1.156 0.000) 2.946 21.040 ( 0.090 0.318 0.000) 0.331 21.069 ( -2.264 -2.222 0.000) 3.172 21.649 ( 0.466 4.409 0.000) 4.434 21.683 ( -2.685 1.204 0.000) 2.942 28.062 ( 1.575 1.496 0.000) 2.172 28.083 ( -0.332 -0.490 0.000) 0.592 28.194 ( -0.534 -0.139 0.000) 0.552 28.198 ( -0.805 -0.430 0.000) 0.913 28.324 ( 0.104 1.338 0.000) 1.343 28.325 ( -0.069 1.232 0.000) 1.234 28.442 ( 0.534 -0.812 0.000) 0.971 28.446 ( 0.208 -1.166 0.000) 1.185 37.037 ( 3.693 0.442 0.000) 3.720 37.040 ( 2.888 0.090 0.000) 2.889 37.105 ( 0.432 1.275 0.000) 1.346 37.121 ( -0.806 -0.232 0.000) 0.839 37.485 ( 4.406 6.608 0.000) 7.942 37.550 ( -1.331 1.403 0.000) 1.934 37.563 ( 8.998 10.782 0.000) 14.043 37.596 ( 0.457 -0.176 0.000) 0.489 37.598 ( 0.499 -0.853 0.000) 0.988 37.684 ( -1.720 0.845 0.000) 1.916 38.396 ( 7.045 -0.428 0.000) 7.058 38.509 ( -3.581 -9.733 0.000) 10.371 38.736 ( -7.693 4.591 0.000) 8.959 38.848 ( -17.154 -5.902 0.000) 18.141 38.894 ( 1.338 3.742 0.000) 3.974 39.015 ( -10.294 -7.613 0.000) 12.803 ======================= Grid point 35 (13/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 0.000 27.001) 27.001 0.654 ( 0.000 0.000 29.659) 29.659 1.260 ( 0.000 0.000 50.209) 50.209 1.623 ( 0.000 0.000 -5.556) 5.556 1.633 ( 0.000 0.000 2.277) 2.277 1.795 ( 0.000 0.000 -2.006) 2.006 1.806 ( 0.000 0.000 1.308) 1.308 1.908 ( 0.000 0.000 0.013) 0.013 1.993 ( 0.000 0.000 -2.334) 2.334 2.051 ( 0.000 0.000 3.193) 3.193 2.136 ( 0.000 0.000 -0.192) 0.192 2.174 ( 0.000 0.000 -2.222) 2.222 2.436 ( 0.000 0.000 -5.606) 5.606 2.546 ( 0.000 0.000 1.863) 1.863 2.600 ( 0.000 0.000 4.208) 4.208 2.600 ( 0.000 0.000 2.978) 2.978 2.670 ( 0.000 0.000 -0.435) 0.435 2.767 ( 0.000 0.000 1.303) 1.303 2.823 ( 0.000 0.000 4.590) 4.590 2.913 ( 0.000 0.000 -0.301) 0.301 3.061 ( 0.000 0.000 1.635) 1.635 3.063 ( 0.000 0.000 -2.861) 2.861 3.071 ( 0.000 0.000 -4.928) 4.928 3.399 ( 0.000 0.000 -6.453) 6.453 3.608 ( 0.000 0.000 5.029) 5.029 3.819 ( 0.000 0.000 1.792) 1.792 4.052 ( 0.000 0.000 0.271) 0.271 4.252 ( 0.000 0.000 9.962) 9.962 4.365 ( 0.000 0.000 -11.985) 11.985 4.506 ( 0.000 0.000 -1.936) 1.936 4.821 ( 0.000 0.000 -6.148) 6.148 4.827 ( 0.000 0.000 -11.322) 11.322 5.202 ( 0.000 0.000 1.574) 1.574 5.212 ( 0.000 0.000 16.671) 16.671 5.565 ( 0.000 0.000 -8.872) 8.872 5.640 ( 0.000 0.000 8.843) 8.843 5.869 ( 0.000 0.000 12.180) 12.180 5.929 ( 0.000 0.000 6.291) 6.291 5.946 ( 0.000 0.000 3.527) 3.527 6.128 ( 0.000 0.000 2.062) 2.062 6.603 ( 0.000 0.000 -9.182) 9.182 7.181 ( 0.000 0.000 4.611) 4.611 7.543 ( 0.000 0.000 4.036) 4.036 7.545 ( 0.000 0.000 -6.528) 6.528 7.576 ( 0.000 0.000 2.513) 2.513 7.729 ( 0.000 0.000 -2.101) 2.101 7.964 ( 0.000 0.000 1.031) 1.031 8.000 ( 0.000 0.000 -21.577) 21.577 8.089 ( 0.000 0.000 1.990) 1.990 8.297 ( 0.000 0.000 -12.626) 12.626 8.337 ( 0.000 0.000 -9.444) 9.444 8.354 ( 0.000 0.000 -21.841) 21.841 8.523 ( 0.000 0.000 -1.897) 1.897 8.666 ( 0.000 0.000 4.396) 4.396 8.669 ( 0.000 0.000 0.177) 0.177 8.801 ( 0.000 0.000 -0.978) 0.978 9.000 ( 0.000 0.000 -5.149) 5.149 9.012 ( 0.000 0.000 5.076) 5.076 9.223 ( 0.000 0.000 -6.974) 6.974 9.372 ( 0.000 0.000 1.078) 1.078 9.435 ( 0.000 0.000 -0.250) 0.250 9.569 ( 0.000 0.000 11.722) 11.722 9.719 ( 0.000 0.000 4.890) 4.890 9.777 ( 0.000 0.000 23.690) 23.690 9.923 ( 0.000 0.000 3.731) 3.731 10.036 ( 0.000 0.000 6.916) 6.916 10.064 ( 0.000 0.000 0.844) 0.844 10.219 ( 0.000 0.000 4.949) 4.949 10.569 ( 0.000 0.000 -2.296) 2.296 10.628 ( 0.000 0.000 12.252) 12.252 10.708 ( 0.000 0.000 1.568) 1.568 10.738 ( 0.000 0.000 -4.828) 4.828 10.758 ( 0.000 0.000 -6.373) 6.373 10.867 ( 0.000 0.000 -8.082) 8.082 11.092 ( 0.000 0.000 -12.535) 12.535 11.240 ( 0.000 0.000 -14.925) 14.925 11.327 ( 0.000 0.000 9.010) 9.010 11.380 ( 0.000 0.000 -10.150) 10.150 11.418 ( 0.000 0.000 -9.802) 9.802 11.712 ( 0.000 0.000 9.526) 9.526 11.713 ( 0.000 0.000 7.526) 7.526 11.903 ( 0.000 0.000 -6.482) 6.482 11.963 ( 0.000 0.000 5.398) 5.398 12.020 ( 0.000 0.000 -6.307) 6.307 12.398 ( 0.000 0.000 -3.050) 3.050 12.407 ( 0.000 0.000 -0.267) 0.267 12.462 ( 0.000 0.000 7.394) 7.394 12.666 ( 0.000 0.000 1.533) 1.533 12.671 ( 0.000 0.000 14.658) 14.658 12.705 ( 0.000 0.000 7.318) 7.318 12.739 ( 0.000 0.000 -4.335) 4.335 13.018 ( 0.000 0.000 -3.379) 3.379 13.081 ( 0.000 0.000 8.632) 8.632 13.166 ( 0.000 0.000 2.640) 2.640 13.270 ( 0.000 0.000 2.920) 2.920 13.597 ( 0.000 0.000 1.334) 1.334 13.770 ( 0.000 0.000 7.135) 7.135 13.863 ( 0.000 0.000 -18.991) 18.991 14.229 ( 0.000 0.000 -12.338) 12.338 14.231 ( 0.000 0.000 -14.546) 14.546 14.630 ( 0.000 0.000 10.122) 10.122 14.679 ( 0.000 0.000 15.022) 15.022 14.726 ( 0.000 0.000 6.378) 6.378 15.648 ( 0.000 0.000 -11.430) 11.430 15.972 ( 0.000 0.000 8.866) 8.866 16.183 ( 0.000 0.000 12.758) 12.758 16.802 ( 0.000 0.000 -10.266) 10.266 16.955 ( 0.000 0.000 3.378) 3.378 17.095 ( 0.000 0.000 6.909) 6.909 17.298 ( 0.000 0.000 -12.280) 12.280 17.584 ( 0.000 0.000 -7.237) 7.237 18.123 ( 0.000 0.000 2.579) 2.579 18.164 ( 0.000 0.000 5.193) 5.193 18.180 ( 0.000 0.000 -9.828) 9.828 18.303 ( 0.000 0.000 1.069) 1.069 18.479 ( 0.000 0.000 -5.640) 5.640 18.773 ( 0.000 0.000 -6.209) 6.209 18.895 ( 0.000 0.000 -6.488) 6.488 18.994 ( 0.000 0.000 0.558) 0.558 19.117 ( 0.000 0.000 -1.205) 1.205 19.174 ( 0.000 0.000 -3.225) 3.225 19.243 ( 0.000 0.000 0.495) 0.495 19.450 ( 0.000 0.000 2.328) 2.328 19.469 ( 0.000 0.000 -10.850) 10.850 19.522 ( 0.000 0.000 -11.813) 11.813 19.655 ( 0.000 0.000 1.117) 1.117 19.989 ( 0.000 0.000 8.937) 8.937 20.076 ( 0.000 0.000 1.137) 1.137 20.081 ( 0.000 0.000 9.933) 9.933 20.350 ( 0.000 0.000 14.038) 14.038 20.367 ( 0.000 0.000 -2.830) 2.830 20.424 ( 0.000 0.000 -1.403) 1.403 20.554 ( 0.000 0.000 -1.194) 1.194 20.629 ( 0.000 0.000 -0.074) 0.074 20.641 ( 0.000 0.000 1.651) 1.651 20.862 ( 0.000 0.000 -2.523) 2.523 20.952 ( 0.000 0.000 -8.106) 8.106 20.983 ( 0.000 0.000 -0.085) 0.085 21.073 ( 0.000 0.000 1.178) 1.178 21.077 ( 0.000 0.000 0.836) 0.836 21.260 ( 0.000 0.000 1.816) 1.816 21.266 ( 0.000 0.000 1.383) 1.383 21.445 ( 0.000 0.000 12.013) 12.013 21.673 ( 0.000 0.000 2.175) 2.175 27.916 ( 0.000 0.000 2.491) 2.491 28.146 ( 0.000 0.000 -2.522) 2.522 28.175 ( 0.000 0.000 2.855) 2.855 28.262 ( 0.000 0.000 0.010) 0.010 28.281 ( 0.000 0.000 -0.343) 0.343 28.311 ( 0.000 0.000 1.485) 1.485 28.433 ( 0.000 0.000 -2.279) 2.279 28.458 ( 0.000 0.000 -2.104) 2.104 36.739 ( 0.000 0.000 0.628) 0.628 36.803 ( 0.000 0.000 -1.319) 1.319 36.836 ( 0.000 0.000 4.241) 4.241 37.061 ( 0.000 0.000 -0.865) 0.865 37.218 ( 0.000 0.000 1.413) 1.413 37.293 ( 0.000 0.000 8.507) 8.507 37.514 ( 0.000 0.000 -4.485) 4.485 37.689 ( 0.000 0.000 -0.195) 0.195 37.772 ( 0.000 0.000 7.128) 7.128 37.800 ( 0.000 0.000 -0.151) 0.151 38.046 ( 0.000 0.000 -5.939) 5.939 38.473 ( 0.000 0.000 -6.936) 6.936 39.177 ( 0.000 0.000 8.851) 8.851 39.908 ( 0.000 0.000 -7.883) 7.883 40.124 ( 0.000 0.000 0.964) 0.964 40.232 ( 0.000 0.000 -1.331) 1.331 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 14.516 0.000 18.588) 23.585 0.895 ( 19.664 0.000 19.498) 27.693 1.354 ( 8.159 0.000 39.713) 40.543 1.636 ( 0.890 0.000 -0.136) 0.900 1.680 ( 5.148 0.000 -3.817) 6.409 1.782 ( 0.169 0.000 -0.095) 0.193 1.893 ( 5.041 0.000 -3.490) 6.131 1.930 ( 5.708 0.000 3.643) 6.771 2.002 ( 1.084 0.000 -2.193) 2.446 2.055 ( 0.380 0.000 3.143) 3.166 2.124 ( 0.004 0.000 0.233) 0.233 2.174 ( 0.019 0.000 -1.859) 1.859 2.423 ( -1.143 0.000 -5.136) 5.262 2.503 ( -3.910 0.000 1.564) 4.212 2.548 ( -4.466 0.000 3.886) 5.920 2.659 ( -0.739 0.000 -0.491) 0.888 2.672 ( -0.216 0.000 -0.249) 0.329 2.760 ( -2.225 0.000 3.226) 3.919 2.779 ( -6.394 0.000 -1.784) 6.638 2.868 ( 1.527 0.000 3.548) 3.862 2.976 ( -7.689 0.000 -3.261) 8.352 3.102 ( 1.802 0.000 1.728) 2.496 3.108 ( 2.310 0.000 -3.527) 4.216 3.395 ( -0.032 0.000 -6.510) 6.510 3.758 ( 4.756 0.000 0.160) 4.758 4.098 ( 4.281 0.000 -0.342) 4.294 4.143 ( 19.801 0.000 -4.407) 20.286 4.226 ( 0.822 0.000 1.979) 2.143 4.400 ( 2.612 0.000 -8.878) 9.254 4.605 ( 9.369 0.000 -2.036) 9.587 4.880 ( 5.628 0.000 -8.368) 10.084 4.883 ( 3.330 0.000 -7.373) 8.090 5.253 ( 3.316 0.000 12.511) 12.943 5.306 ( 10.567 0.000 0.804) 10.598 5.583 ( 1.913 0.000 -8.884) 9.088 5.620 ( -1.581 0.000 12.892) 12.989 5.850 ( 0.034 0.000 10.991) 10.991 5.916 ( -1.168 0.000 6.657) 6.759 5.946 ( 0.317 0.000 4.690) 4.701 6.148 ( 1.556 0.000 1.055) 1.880 6.629 ( 2.302 0.000 -8.196) 8.513 7.154 ( -3.100 0.000 3.625) 4.770 7.389 ( -10.375 0.000 -6.347) 12.162 7.396 ( -11.646 0.000 4.982) 12.667 7.536 ( -15.335 0.000 -0.269) 15.338 7.681 ( 4.212 0.000 5.728) 7.109 7.838 ( -11.248 0.000 -10.065) 15.094 7.913 ( -6.837 0.000 0.711) 6.874 8.064 ( -1.022 0.000 1.727) 2.006 8.204 ( -4.807 0.000 -19.966) 20.537 8.271 ( -5.190 0.000 -6.188) 8.077 8.383 ( 0.362 0.000 -18.638) 18.641 8.623 ( -2.798 0.000 3.790) 4.711 8.684 ( 0.566 0.000 -3.235) 3.284 8.697 ( 12.635 0.000 -5.918) 13.952 8.886 ( 6.916 0.000 -1.190) 7.018 9.051 ( 4.206 0.000 5.970) 7.303 9.152 ( 9.831 0.000 -8.411) 12.938 9.206 ( -1.341 0.000 -8.341) 8.448 9.415 ( 1.144 0.000 -8.691) 8.766 9.436 ( 2.317 0.000 8.645) 8.950 9.625 ( 4.330 0.000 8.231) 9.301 9.763 ( 4.101 0.000 7.561) 8.602 9.794 ( 0.917 0.000 16.389) 16.415 9.913 ( -0.598 0.000 2.908) 2.969 10.058 ( 2.199 0.000 4.809) 5.288 10.104 ( 3.290 0.000 0.269) 3.301 10.320 ( 10.129 0.000 8.782) 13.406 10.455 ( -15.015 0.000 4.455) 15.662 10.548 ( -1.686 0.000 -3.578) 3.955 10.683 ( 3.655 0.000 10.744) 11.349 10.701 ( -1.200 0.000 1.028) 1.580 10.777 ( 1.352 0.000 -8.525) 8.632 10.876 ( 1.782 0.000 -6.505) 6.745 11.124 ( -0.349 0.000 -12.607) 12.611 11.267 ( 2.896 0.000 -10.419) 10.814 11.287 ( -1.629 0.000 5.082) 5.337 11.390 ( -1.727 0.000 -11.047) 11.181 11.468 ( 5.610 0.000 -1.807) 5.894 11.668 ( -3.635 0.000 6.144) 7.138 11.705 ( 0.116 0.000 4.332) 4.334 11.846 ( 0.186 0.000 2.337) 2.345 12.050 ( 3.827 0.000 5.397) 6.616 12.109 ( 6.755 0.000 -2.419) 7.175 12.300 ( -7.945 0.000 0.392) 7.954 12.354 ( -4.948 0.000 1.451) 5.156 12.445 ( -5.264 0.000 10.873) 12.080 12.508 ( -10.925 0.000 1.417) 11.016 12.533 ( -3.509 0.000 1.004) 3.650 12.822 ( 6.938 0.000 4.289) 8.157 12.840 ( 2.892 0.000 3.668) 4.671 13.006 ( 0.050 0.000 -2.314) 2.314 13.047 ( -3.127 0.000 4.549) 5.520 13.104 ( -6.471 0.000 11.672) 13.346 13.260 ( 7.212 0.000 0.321) 7.219 13.599 ( -2.426 0.000 2.284) 3.332 13.693 ( -7.583 0.000 -17.105) 18.711 13.740 ( -2.592 0.000 6.570) 7.063 14.203 ( -2.060 0.000 -12.058) 12.233 14.370 ( -6.680 0.000 4.293) 7.941 14.573 ( -5.118 0.000 10.161) 11.377 14.704 ( -2.447 0.000 7.053) 7.465 15.091 ( 26.896 0.000 -30.045) 40.325 15.718 ( 4.625 0.000 -17.874) 18.463 16.036 ( 7.453 0.000 11.092) 13.363 16.247 ( 5.998 0.000 11.951) 13.372 16.834 ( 3.018 0.000 -9.399) 9.872 16.954 ( -0.765 0.000 2.898) 2.997 17.063 ( -3.054 0.000 6.564) 7.240 17.322 ( 2.424 0.000 -11.860) 12.105 17.503 ( -6.688 0.000 -5.922) 8.933 18.150 ( -4.653 0.000 -11.734) 12.623 18.166 ( 4.133 0.000 2.410) 4.784 18.266 ( 8.378 0.000 4.149) 9.349 18.324 ( 3.740 0.000 0.816) 3.828 18.511 ( 0.545 0.000 -1.925) 2.001 18.768 ( -0.835 0.000 -5.443) 5.506 18.877 ( -1.675 0.000 -6.635) 6.843 18.974 ( -1.928 0.000 1.725) 2.587 19.100 ( -1.498 0.000 -1.002) 1.802 19.205 ( 2.404 0.000 -3.162) 3.972 19.229 ( -1.095 0.000 -4.619) 4.748 19.406 ( -2.656 0.000 -2.547) 3.679 19.487 ( 1.887 0.000 -9.166) 9.358 19.598 ( 6.954 0.000 -8.909) 11.301 19.640 ( -1.327 0.000 -0.221) 1.346 19.984 ( -4.354 0.000 4.694) 6.402 19.988 ( -0.853 0.000 6.666) 6.721 20.079 ( 0.484 0.000 9.948) 9.959 20.275 ( -3.387 0.000 11.696) 12.176 20.344 ( -1.980 0.000 -2.746) 3.385 20.428 ( -1.013 0.000 0.868) 1.334 20.521 ( 2.223 0.000 3.053) 3.777 20.662 ( 2.816 0.000 -0.394) 2.843 20.745 ( 3.304 0.000 -1.243) 3.530 20.840 ( -1.970 0.000 -2.402) 3.106 20.910 ( -2.373 0.000 -1.221) 2.668 20.974 ( -0.827 0.000 0.362) 0.903 21.056 ( -2.239 0.000 -0.571) 2.310 21.068 ( -0.420 0.000 1.581) 1.636 21.253 ( -0.610 0.000 2.113) 2.199 21.261 ( 1.107 0.000 5.343) 5.456 21.612 ( 6.579 0.000 -3.186) 7.310 21.630 ( -4.137 0.000 2.763) 4.975 27.930 ( 1.309 0.000 2.366) 2.704 28.152 ( 0.568 0.000 -2.549) 2.612 28.172 ( -0.512 0.000 2.611) 2.661 28.248 ( -0.869 0.000 -0.034) 0.869 28.270 ( -0.943 0.000 -0.696) 1.172 28.314 ( 0.073 0.000 1.904) 1.906 28.434 ( 0.258 0.000 -2.124) 2.140 28.464 ( 0.474 0.000 -2.038) 2.092 36.802 ( 5.941 0.000 0.447) 5.958 36.807 ( 2.353 0.000 2.462) 3.406 36.880 ( 4.024 0.000 4.382) 5.949 37.101 ( 2.806 0.000 -0.138) 2.810 37.212 ( -0.526 0.000 1.485) 1.575 37.264 ( -1.877 0.000 7.056) 7.301 37.561 ( 3.009 0.000 -1.486) 3.356 37.693 ( -0.234 0.000 0.032) 0.236 37.755 ( -3.718 0.000 0.424) 3.742 37.783 ( 0.095 0.000 7.520) 7.521 38.050 ( 1.355 0.000 -6.227) 6.373 38.493 ( 2.079 0.000 -7.108) 7.405 39.083 ( -11.095 0.000 10.958) 15.594 39.372 ( -36.414 0.000 32.835) 49.032 39.774 ( -12.717 0.000 -7.216) 14.622 40.062 ( -15.871 0.000 -2.444) 16.058 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 20.484 0.000 6.927) 21.623 1.320 ( 19.943 0.000 8.768) 21.785 1.547 ( 9.956 0.000 22.697) 24.785 1.688 ( 4.251 0.000 -2.645) 5.006 1.791 ( 0.413 0.000 0.359) 0.547 1.807 ( 6.202 0.000 -2.938) 6.862 1.941 ( 1.207 0.000 1.229) 1.723 2.046 ( 3.029 0.000 -1.225) 3.267 2.063 ( 0.747 0.000 1.105) 1.334 2.081 ( 2.488 0.000 -1.872) 3.114 2.175 ( 0.170 0.000 -0.299) 0.344 2.175 ( 6.670 0.000 3.563) 7.562 2.386 ( -4.517 0.000 -3.512) 5.722 2.399 ( -6.062 0.000 -0.051) 6.062 2.437 ( -3.807 0.000 2.802) 4.727 2.571 ( -9.882 0.000 0.406) 9.891 2.583 ( -5.558 0.000 -0.144) 5.559 2.663 ( -0.785 0.000 0.188) 0.807 2.749 ( -1.514 0.000 2.359) 2.803 2.782 ( -9.592 0.000 0.985) 9.642 2.922 ( 3.067 0.000 2.857) 4.192 3.106 ( -1.386 0.000 2.385) 2.758 3.176 ( 4.346 0.000 -4.172) 6.024 3.396 ( -0.413 0.000 -6.022) 6.036 3.853 ( 4.954 0.000 1.809) 5.274 4.141 ( -3.729 0.000 7.166) 8.078 4.210 ( 6.203 0.000 -1.795) 6.458 4.437 ( 0.531 0.000 -5.622) 5.647 4.517 ( 12.879 0.000 -5.458) 13.988 4.858 ( 14.427 0.000 -1.407) 14.496 4.910 ( -0.650 0.000 -3.184) 3.249 5.029 ( 8.141 0.000 -11.460) 14.058 5.322 ( 3.657 0.000 15.370) 15.799 5.560 ( 5.172 0.000 6.932) 8.649 5.607 ( 5.702 0.000 9.136) 10.769 5.648 ( 4.559 0.000 -8.157) 9.345 5.870 ( -1.345 0.000 7.389) 7.511 5.938 ( 8.366 0.000 5.755) 10.155 5.964 ( 1.126 0.000 6.018) 6.122 6.178 ( 1.345 0.000 0.111) 1.350 6.685 ( 2.910 0.000 -6.304) 6.943 7.002 ( -12.742 0.000 -2.060) 12.907 7.015 ( -25.519 0.000 -5.077) 26.019 7.195 ( -14.400 0.000 -0.049) 14.400 7.240 ( -2.183 0.000 8.430) 8.708 7.704 ( -1.861 0.000 1.986) 2.721 7.712 ( -11.741 0.000 2.183) 11.942 7.740 ( 0.353 0.000 11.471) 11.477 8.056 ( 0.060 0.000 0.028) 0.067 8.153 ( -0.006 0.000 -22.505) 22.505 8.174 ( -3.991 0.000 -4.576) 6.072 8.358 ( -2.715 0.000 -17.647) 17.855 8.578 ( -1.231 0.000 -1.347) 1.825 8.659 ( -2.645 0.000 -6.932) 7.419 8.924 ( 8.023 0.000 -10.461) 13.183 9.028 ( 5.324 0.000 -1.563) 5.548 9.172 ( 7.008 0.000 6.399) 9.490 9.212 ( 4.616 0.000 -11.051) 11.976 9.322 ( 6.739 0.000 -2.963) 7.362 9.417 ( 0.167 0.000 -5.345) 5.347 9.489 ( 1.137 0.000 6.391) 6.491 9.725 ( 5.337 0.000 5.938) 7.984 9.795 ( -0.512 0.000 3.376) 3.415 9.853 ( 3.008 0.000 10.685) 11.100 9.894 ( -1.645 0.000 1.182) 2.025 10.068 ( -4.974 0.000 -0.995) 5.073 10.182 ( 4.169 0.000 -2.489) 4.856 10.273 ( 0.952 0.000 4.288) 4.392 10.505 ( -2.682 0.000 -4.272) 5.044 10.557 ( 6.852 0.000 3.209) 7.566 10.708 ( 5.951 0.000 6.133) 8.545 10.762 ( -1.797 0.000 -12.546) 12.674 10.786 ( 3.517 0.000 4.183) 5.465 10.973 ( 6.434 0.000 -2.771) 7.006 11.077 ( -1.130 0.000 -4.133) 4.285 11.282 ( -0.946 0.000 -6.042) 6.116 11.291 ( 2.813 0.000 7.056) 7.596 11.416 ( 1.633 0.000 -6.490) 6.693 11.563 ( 3.689 0.000 4.996) 6.210 11.589 ( -2.454 0.000 0.720) 2.558 11.728 ( 1.264 0.000 -1.496) 1.958 11.913 ( 6.003 0.000 4.785) 7.677 12.073 ( -8.403 0.000 0.913) 8.452 12.099 ( -12.394 0.000 1.262) 12.458 12.130 ( -1.054 0.000 7.982) 8.051 12.249 ( -1.093 0.000 -1.518) 1.871 12.327 ( -4.770 0.000 10.007) 11.086 12.416 ( 2.353 0.000 4.370) 4.964 12.471 ( -2.929 0.000 -2.301) 3.725 12.823 ( -4.411 0.000 2.080) 4.877 12.882 ( -5.983 0.000 5.754) 8.300 12.945 ( -6.176 0.000 3.561) 7.129 13.059 ( 5.039 0.000 4.113) 6.505 13.070 ( 6.217 0.000 0.144) 6.219 13.412 ( 6.051 0.000 -2.368) 6.498 13.530 ( -3.347 0.000 -8.286) 8.937 13.575 ( -3.110 0.000 -0.456) 3.143 13.697 ( 0.119 0.000 2.710) 2.713 14.150 ( -13.025 0.000 9.888) 16.353 14.178 ( -0.332 0.000 -6.664) 6.672 14.439 ( -7.354 0.000 9.271) 11.834 14.620 ( -5.720 0.000 9.779) 11.329 15.450 ( 11.010 0.000 -25.213) 27.512 15.759 ( -0.549 0.000 -18.546) 18.554 16.278 ( 14.611 0.000 6.868) 16.145 16.410 ( 9.459 0.000 10.438) 14.086 16.909 ( 2.539 0.000 -4.041) 4.772 16.910 ( -3.639 0.000 3.537) 5.075 16.981 ( -3.319 0.000 2.843) 4.370 17.351 ( -7.782 0.000 -4.981) 9.239 17.398 ( 5.078 0.000 -10.756) 11.894 17.979 ( -11.365 0.000 -9.909) 15.079 18.281 ( 6.816 0.000 1.922) 7.082 18.428 ( 5.173 0.000 -0.256) 5.179 18.442 ( 7.523 0.000 3.111) 8.141 18.515 ( 1.089 0.000 1.290) 1.688 18.737 ( -1.788 0.000 -1.864) 2.583 18.840 ( -1.377 0.000 -5.733) 5.896 18.909 ( -4.446 0.000 4.553) 6.363 19.050 ( -3.564 0.000 -0.774) 3.647 19.218 ( 0.577 0.000 -8.803) 8.822 19.266 ( 3.785 0.000 -3.801) 5.364 19.373 ( -1.313 0.000 -11.618) 11.692 19.527 ( -0.005 0.000 -0.973) 0.973 19.627 ( 1.919 0.000 -7.479) 7.721 19.768 ( 8.856 0.000 -4.832) 10.088 19.939 ( -3.658 0.000 1.512) 3.959 19.961 ( 1.235 0.000 2.486) 2.776 20.112 ( 2.349 0.000 9.191) 9.487 20.225 ( -1.779 0.000 8.757) 8.936 20.292 ( -3.068 0.000 -0.847) 3.183 20.373 ( -3.880 0.000 3.225) 5.045 20.615 ( 5.936 0.000 -0.265) 5.942 20.721 ( 2.432 0.000 -2.399) 3.416 20.781 ( 0.898 0.000 -0.888) 1.262 20.796 ( -1.971 0.000 -1.405) 2.421 20.870 ( -1.603 0.000 0.750) 1.769 20.960 ( -0.106 0.000 0.945) 0.950 20.992 ( -3.862 0.000 -1.980) 4.340 21.056 ( -0.850 0.000 1.847) 2.033 21.245 ( 0.212 0.000 3.437) 3.444 21.308 ( 3.453 0.000 6.041) 6.958 21.516 ( -6.583 0.000 4.304) 7.865 21.635 ( -3.109 0.000 -0.662) 3.178 27.968 ( 2.373 0.000 2.009) 3.109 28.143 ( -2.299 0.000 1.450) 2.718 28.169 ( 0.992 0.000 -2.448) 2.641 28.245 ( 0.607 0.000 1.088) 1.245 28.246 ( -1.340 0.000 -1.193) 1.794 28.309 ( -0.610 0.000 2.334) 2.413 28.444 ( 0.715 0.000 -2.095) 2.214 28.472 ( 0.221 0.000 -1.948) 1.960 36.920 ( 7.966 0.000 3.628) 8.753 36.964 ( 9.066 0.000 0.493) 9.080 36.979 ( 5.101 0.000 4.135) 6.567 37.161 ( 3.246 0.000 1.138) 3.440 37.202 ( -0.041 0.000 1.583) 1.583 37.228 ( -1.755 0.000 5.392) 5.671 37.588 ( -2.668 0.000 3.243) 4.199 37.638 ( -5.683 0.000 -0.111) 5.684 37.658 ( -2.894 0.000 0.503) 2.938 37.776 ( -1.243 0.000 11.815) 11.880 38.157 ( 9.990 0.000 -6.479) 11.908 38.571 ( 5.980 0.000 -7.830) 9.853 38.773 ( -10.318 0.000 13.512) 17.001 39.014 ( -10.205 0.000 8.770) 13.455 39.422 ( -20.759 0.000 -5.331) 21.433 39.643 ( -23.342 0.000 -4.158) 23.709 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 18.504 0.000 2.293) 18.645 1.650 ( 11.434 0.000 1.757) 11.568 1.733 ( 7.673 0.000 7.065) 10.430 1.763 ( 0.548 0.000 -2.448) 2.509 1.777 ( -2.363 0.000 3.494) 4.218 1.913 ( 5.435 0.000 -3.069) 6.242 1.918 ( -5.587 0.000 3.966) 6.852 2.026 ( -3.889 0.000 -0.706) 3.952 2.084 ( -0.543 0.000 1.430) 1.530 2.137 ( -8.212 0.000 -3.444) 8.905 2.153 ( 4.308 0.000 -3.775) 5.728 2.189 ( 1.132 0.000 0.236) 1.156 2.289 ( -2.088 0.000 0.927) 2.285 2.362 ( 3.447 0.000 0.428) 3.473 2.386 ( -8.107 0.000 1.665) 8.277 2.420 ( -1.688 0.000 1.087) 2.007 2.514 ( 1.956 0.000 2.461) 3.144 2.620 ( -6.594 0.000 5.051) 8.307 2.663 ( 1.055 0.000 1.782) 2.071 2.704 ( -2.600 0.000 2.631) 3.699 2.987 ( 3.302 0.000 2.971) 4.442 3.055 ( -3.204 0.000 2.970) 4.369 3.276 ( 4.971 0.000 -5.031) 7.072 3.362 ( -3.115 0.000 -5.576) 6.388 3.958 ( 5.211 0.000 3.635) 6.354 4.058 ( -4.448 0.000 5.406) 7.000 4.331 ( 5.284 0.000 -3.231) 6.193 4.414 ( -2.711 0.000 -4.263) 5.052 4.729 ( 8.281 0.000 -1.854) 8.486 4.859 ( -4.435 0.000 -1.925) 4.835 5.120 ( 8.780 0.000 -5.086) 10.147 5.164 ( 3.696 0.000 -10.855) 11.467 5.410 ( 4.996 0.000 16.780) 17.508 5.514 ( -4.551 0.000 18.290) 18.847 5.750 ( 4.496 0.000 5.858) 7.384 5.784 ( 9.127 0.000 -3.356) 9.724 5.823 ( -2.936 0.000 8.197) 8.707 5.949 ( -4.273 0.000 4.495) 6.202 6.232 ( 5.618 0.000 -0.154) 5.620 6.262 ( 20.429 0.000 -1.270) 20.468 6.492 ( -20.520 0.000 -2.565) 20.680 6.674 ( -18.771 0.000 -2.605) 18.951 6.784 ( 5.211 0.000 -2.388) 5.732 6.942 ( -10.231 0.000 -0.856) 10.267 7.285 ( 6.103 0.000 6.514) 8.927 7.469 ( -11.266 0.000 4.225) 12.032 7.699 ( 0.664 0.000 6.742) 6.774 7.722 ( -1.421 0.000 11.086) 11.177 8.068 ( 1.251 0.000 -1.902) 2.277 8.108 ( -2.595 0.000 -3.314) 4.209 8.193 ( 3.593 0.000 -19.040) 19.376 8.282 ( -4.500 0.000 -17.797) 18.357 8.573 ( 0.690 0.000 -6.669) 6.704 8.604 ( -2.283 0.000 -8.229) 8.540 9.023 ( 2.661 0.000 -13.202) 13.467 9.057 ( -0.809 0.000 -10.925) 10.955 9.318 ( 6.690 0.000 7.782) 10.262 9.399 ( -0.160 0.000 5.886) 5.888 9.417 ( 9.215 0.000 -0.658) 9.239 9.433 ( 1.755 0.000 0.111) 1.759 9.494 ( 2.965 0.000 -1.665) 3.401 9.723 ( -10.541 0.000 0.879) 10.577 9.798 ( 1.343 0.000 -3.703) 3.939 9.846 ( -2.792 0.000 -2.196) 3.552 9.878 ( 4.208 0.000 6.902) 8.084 9.962 ( -3.434 0.000 7.796) 8.519 10.277 ( 5.440 0.000 -5.400) 7.665 10.404 ( -6.512 0.000 -6.034) 8.878 10.431 ( 11.461 0.000 -0.013) 11.461 10.614 ( 2.677 0.000 -7.016) 7.509 10.680 ( -11.514 0.000 -2.506) 11.784 10.684 ( -3.794 0.000 -10.365) 11.037 10.938 ( 9.535 0.000 8.761) 12.949 11.046 ( -0.797 0.000 4.201) 4.276 11.224 ( 12.014 0.000 4.656) 12.884 11.298 ( 3.660 0.000 -2.217) 4.279 11.362 ( -4.350 0.000 -2.251) 4.898 11.448 ( 12.333 0.000 3.102) 12.717 11.519 ( -9.415 0.000 0.282) 9.419 11.647 ( 4.996 0.000 7.771) 9.239 11.688 ( -6.804 0.000 -1.503) 6.968 11.810 ( -12.509 0.000 4.894) 13.432 11.943 ( 2.164 0.000 3.858) 4.423 12.045 ( -1.945 0.000 4.326) 4.743 12.120 ( 4.510 0.000 -3.047) 5.443 12.246 ( -4.623 0.000 4.414) 6.392 12.289 ( 5.345 0.000 -4.599) 7.051 12.421 ( -4.711 0.000 0.279) 4.719 12.469 ( 4.555 0.000 4.278) 6.249 12.658 ( -12.421 0.000 6.970) 14.243 12.747 ( 0.064 0.000 2.182) 2.183 12.821 ( -5.646 0.000 5.066) 7.586 13.228 ( 9.258 0.000 -1.244) 9.342 13.233 ( 9.026 0.000 1.973) 9.239 13.402 ( -6.338 0.000 1.393) 6.489 13.406 ( -7.887 0.000 -4.474) 9.067 13.646 ( 8.549 0.000 5.017) 9.912 13.842 ( 12.766 0.000 -4.770) 13.628 13.876 ( -13.123 0.000 8.599) 15.690 14.099 ( -9.931 0.000 -5.632) 11.417 14.369 ( 2.747 0.000 11.146) 11.479 14.484 ( -7.003 0.000 12.149) 14.023 15.616 ( 6.143 0.000 -20.159) 21.074 15.715 ( -3.578 0.000 -18.161) 18.510 16.571 ( 13.219 0.000 4.766) 14.053 16.614 ( 10.130 0.000 9.004) 13.553 16.793 ( -8.226 0.000 4.119) 9.199 16.807 ( -8.469 0.000 7.623) 11.394 17.054 ( 6.380 0.000 -6.366) 9.012 17.195 ( -7.367 0.000 -5.319) 9.087 17.532 ( 8.170 0.000 -9.266) 12.353 17.735 ( -11.542 0.000 -8.392) 14.271 18.424 ( 6.543 0.000 1.159) 6.645 18.509 ( 2.959 0.000 -1.126) 3.166 18.515 ( -1.209 0.000 1.406) 1.854 18.544 ( 0.192 0.000 -1.414) 1.427 18.728 ( 1.836 0.000 2.677) 3.246 18.807 ( -5.057 0.000 5.157) 7.223 18.857 ( 3.618 0.000 -2.702) 4.515 18.957 ( -5.249 0.000 -1.101) 5.363 19.259 ( 3.140 0.000 -10.391) 10.855 19.328 ( -3.162 0.000 -11.884) 12.298 19.359 ( 5.150 0.000 -3.035) 5.978 19.465 ( -4.794 0.000 -0.871) 4.873 19.727 ( 6.288 0.000 -7.492) 9.781 19.848 ( -5.235 0.000 -3.843) 6.494 19.925 ( 5.865 0.000 -2.041) 6.210 19.987 ( -0.058 0.000 -0.661) 0.663 20.163 ( 2.642 0.000 6.897) 7.386 20.214 ( 1.346 0.000 6.110) 6.257 20.224 ( -3.361 0.000 3.139) 4.599 20.282 ( -4.610 0.000 3.554) 5.821 20.733 ( 4.933 0.000 -0.406) 4.950 20.749 ( 0.748 0.000 -2.982) 3.074 20.768 ( -1.023 0.000 -1.043) 1.461 20.789 ( -0.550 0.000 -0.468) 0.722 20.851 ( 0.387 0.000 -0.681) 0.783 20.906 ( -4.245 0.000 -3.278) 5.364 20.982 ( 2.145 0.000 0.291) 2.165 21.028 ( -1.943 0.000 0.653) 2.050 21.278 ( 3.334 0.000 5.756) 6.652 21.380 ( -6.300 0.000 5.973) 8.681 21.402 ( 5.707 0.000 5.594) 7.992 21.530 ( -6.350 0.000 3.254) 7.136 28.024 ( 3.000 0.000 1.509) 3.358 28.087 ( -3.060 0.000 1.126) 3.261 28.192 ( 1.244 0.000 -2.166) 2.498 28.218 ( -1.354 0.000 -1.718) 2.187 28.266 ( 1.236 0.000 1.951) 2.310 28.290 ( -1.121 0.000 2.336) 2.591 28.460 ( 0.720 0.000 -1.993) 2.119 28.471 ( -0.333 0.000 -1.926) 1.954 37.065 ( 3.249 0.000 3.564) 4.823 37.085 ( 6.855 0.000 4.471) 8.184 37.096 ( 1.316 0.000 2.223) 2.583 37.179 ( -2.924 0.000 4.357) 5.247 37.259 ( 6.713 0.000 1.078) 6.799 37.270 ( 8.402 0.000 0.107) 8.403 37.435 ( -9.433 0.000 0.711) 9.460 37.473 ( -9.894 0.000 -0.397) 9.902 37.676 ( 2.356 0.000 7.843) 8.189 37.731 ( -2.807 0.000 12.005) 12.329 38.452 ( 18.010 0.000 -7.724) 19.596 38.707 ( 2.399 0.000 3.395) 4.157 38.716 ( 3.268 0.000 -11.618) 12.069 38.824 ( -8.171 0.000 3.565) 8.915 39.010 ( -13.188 0.000 -0.529) 13.198 39.185 ( -19.861 0.000 -3.814) 20.224 ======================= Grid point 42 (17/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 19.233 16.546) 25.371 1.066 ( 0.000 26.458 20.019) 33.178 1.461 ( 0.000 20.260 34.534) 40.038 1.600 ( 0.000 -3.288 2.724) 4.270 1.646 ( 0.000 1.923 -5.001) 5.358 1.793 ( 0.000 -0.471 -1.088) 1.185 1.856 ( 0.000 4.264 1.090) 4.401 1.983 ( 0.000 -3.923 4.414) 5.905 2.019 ( 0.000 10.362 1.372) 10.452 2.027 ( 0.000 0.789 -1.653) 1.832 2.106 ( 0.000 -0.669 -1.920) 2.033 2.158 ( 0.000 -1.716 -1.949) 2.597 2.429 ( 0.000 -0.995 -5.204) 5.298 2.556 ( 0.000 0.327 0.891) 0.949 2.602 ( 0.000 -0.231 2.647) 2.658 2.608 ( 0.000 1.022 4.304) 4.424 2.661 ( 0.000 -1.067 0.056) 1.068 2.783 ( 0.000 1.287 1.590) 2.046 2.796 ( 0.000 -2.784 4.891) 5.628 2.900 ( 0.000 -1.379 -1.360) 1.937 2.964 ( 0.000 -8.176 1.920) 8.399 3.025 ( 0.000 -3.870 -2.885) 4.827 3.098 ( 0.000 2.274 -4.851) 5.357 3.340 ( 0.000 -5.174 -6.601) 8.387 3.718 ( 0.000 10.096 4.993) 11.263 3.855 ( 0.000 4.429 4.434) 6.267 4.054 ( 0.000 0.317 1.128) 1.171 4.224 ( 0.000 -2.702 9.400) 9.781 4.370 ( 0.000 -0.304 -7.500) 7.506 4.647 ( 0.000 10.486 -4.051) 11.241 4.783 ( 0.000 -6.929 -5.675) 8.957 4.813 ( 0.000 0.359 -8.247) 8.255 5.224 ( 0.000 3.487 3.618) 5.025 5.249 ( 0.000 3.082 15.302) 15.610 5.508 ( 0.000 5.896 3.481) 6.847 5.705 ( 0.000 3.228 0.538) 3.272 5.896 ( 0.000 5.803 9.411) 11.056 5.915 ( 0.000 -1.149 5.140) 5.267 6.091 ( 0.000 6.989 -4.660) 8.400 6.107 ( 0.000 -3.309 1.122) 3.494 6.591 ( 0.000 -0.368 -8.766) 8.774 7.148 ( 0.000 -3.758 1.938) 4.228 7.337 ( 0.000 -23.765 1.938) 23.844 7.398 ( 0.000 -9.490 4.210) 10.382 7.548 ( 0.000 -3.064 -9.173) 9.671 7.571 ( 0.000 -9.112 4.321) 10.085 7.862 ( 0.000 -12.228 1.152) 12.282 7.892 ( 0.000 -4.594 4.484) 6.419 8.092 ( 0.000 0.296 -13.209) 13.213 8.178 ( 0.000 -8.439 -13.060) 15.550 8.324 ( 0.000 -0.831 -6.047) 6.104 8.445 ( 0.000 3.739 -17.712) 18.102 8.548 ( 0.000 5.369 -2.824) 6.066 8.712 ( 0.000 3.122 -0.273) 3.134 8.726 ( 0.000 1.600 0.955) 1.863 8.816 ( 0.000 2.152 -4.592) 5.071 9.010 ( 0.000 -1.185 -6.527) 6.634 9.063 ( 0.000 2.425 -4.812) 5.389 9.290 ( 0.000 5.354 -0.574) 5.385 9.387 ( 0.000 -7.527 6.797) 10.141 9.398 ( 0.000 1.537 10.448) 10.560 9.419 ( 0.000 -0.955 -6.790) 6.856 9.753 ( 0.000 3.806 8.803) 9.590 9.929 ( 0.000 3.340 13.926) 14.321 9.998 ( 0.000 3.043 -0.398) 3.069 10.102 ( 0.000 -6.131 1.038) 6.218 10.113 ( 0.000 8.680 5.612) 10.336 10.203 ( 0.000 10.782 -1.190) 10.848 10.455 ( 0.000 -8.580 3.331) 9.204 10.622 ( 0.000 3.893 -2.942) 4.879 10.712 ( 0.000 -11.445 -6.222) 13.027 10.764 ( 0.000 2.524 -7.240) 7.667 10.872 ( 0.000 9.098 2.015) 9.318 10.958 ( 0.000 9.728 0.807) 9.761 10.960 ( 0.000 3.622 -2.906) 4.644 11.277 ( 0.000 2.140 -11.844) 12.036 11.314 ( 0.000 -0.986 7.000) 7.069 11.355 ( 0.000 1.316 -9.317) 9.409 11.539 ( 0.000 2.700 2.441) 3.640 11.684 ( 0.000 -1.696 4.618) 4.920 11.864 ( 0.000 -0.647 -4.128) 4.179 11.920 ( 0.000 13.719 -0.528) 13.729 11.975 ( 0.000 -0.004 2.933) 2.933 12.005 ( 0.000 -0.266 -7.134) 7.139 12.163 ( 0.000 -11.633 9.338) 14.917 12.307 ( 0.000 -7.799 -0.182) 7.801 12.437 ( 0.000 -4.865 5.719) 7.508 12.609 ( 0.000 0.778 2.707) 2.817 12.632 ( 0.000 -2.152 6.217) 6.579 12.851 ( 0.000 6.411 6.095) 8.846 12.944 ( 0.000 7.556 -3.856) 8.483 13.020 ( 0.000 -7.460 4.198) 8.560 13.153 ( 0.000 3.235 7.165) 7.861 13.230 ( 0.000 6.420 5.666) 8.563 13.290 ( 0.000 1.135 2.992) 3.200 13.325 ( 0.000 -14.244 22.783) 26.869 13.644 ( 0.000 2.196 0.617) 2.281 13.741 ( 0.000 -7.179 -13.607) 15.385 13.993 ( 0.000 -9.868 -7.010) 12.104 14.261 ( 0.000 -7.672 -4.546) 8.918 14.569 ( 0.000 8.170 4.609) 9.381 14.851 ( 0.000 9.710 5.706) 11.263 15.141 ( 0.000 7.699 -17.409) 19.036 15.652 ( 0.000 -6.565 -15.425) 16.764 16.033 ( 0.000 10.267 8.357) 13.238 16.323 ( 0.000 11.615 12.027) 16.720 16.883 ( 0.000 -7.395 3.160) 8.042 16.935 ( 0.000 10.748 -16.346) 19.563 17.020 ( 0.000 -7.066 7.440) 10.261 17.360 ( 0.000 6.081 -11.924) 13.385 17.512 ( 0.000 -6.422 -8.337) 10.524 18.113 ( 0.000 -9.091 -13.140) 15.978 18.125 ( 0.000 0.002 2.895) 2.895 18.155 ( 0.000 -0.753 5.084) 5.139 18.314 ( 0.000 1.053 1.129) 1.543 18.362 ( 0.000 -5.532 -0.451) 5.551 18.817 ( 0.000 4.220 -5.264) 6.746 18.931 ( 0.000 3.062 -5.046) 5.902 19.002 ( 0.000 0.755 0.651) 0.997 19.099 ( 0.000 -1.409 -3.067) 3.375 19.249 ( 0.000 0.105 -1.716) 1.719 19.256 ( 0.000 3.909 -10.160) 10.886 19.384 ( 0.000 -4.651 -13.517) 14.294 19.459 ( 0.000 -1.382 -3.720) 3.969 19.543 ( 0.000 5.136 -4.168) 6.614 19.712 ( 0.000 5.623 1.159) 5.741 19.903 ( 0.000 -3.708 6.460) 7.449 20.090 ( 0.000 1.131 10.824) 10.883 20.128 ( 0.000 -0.960 0.046) 0.961 20.318 ( 0.000 -3.624 3.510) 5.045 20.349 ( 0.000 -0.057 13.516) 13.516 20.414 ( 0.000 -1.253 -0.809) 1.491 20.529 ( 0.000 -1.473 0.105) 1.477 20.572 ( 0.000 -4.322 8.444) 9.486 20.673 ( 0.000 3.142 -0.586) 3.197 20.830 ( 0.000 -4.434 0.151) 4.437 20.891 ( 0.000 -3.110 4.673) 5.613 20.937 ( 0.000 -1.479 -6.050) 6.228 20.982 ( 0.000 -0.020 -1.504) 1.505 21.046 ( 0.000 -1.742 0.462) 1.802 21.186 ( 0.000 4.100 6.907) 8.032 21.426 ( 0.000 -1.840 11.805) 11.948 21.682 ( 0.000 10.461 -13.406) 17.004 21.688 ( 0.000 1.433 1.512) 2.083 27.940 ( 0.000 2.283 2.526) 3.404 28.149 ( 0.000 -2.442 2.822) 3.732 28.174 ( 0.000 2.644 -2.580) 3.694 28.261 ( 0.000 0.196 0.276) 0.338 28.302 ( 0.000 1.808 -0.592) 1.902 28.305 ( 0.000 -0.605 1.223) 1.364 28.412 ( 0.000 -2.277 -2.752) 3.572 28.436 ( 0.000 -1.810 -1.470) 2.332 36.739 ( 0.000 -0.199 3.170) 3.176 36.834 ( 0.000 5.827 -0.881) 5.893 36.838 ( 0.000 0.070 4.489) 4.489 37.064 ( 0.000 0.301 -1.033) 1.076 37.264 ( 0.000 4.248 1.231) 4.423 37.282 ( 0.000 -0.713 8.265) 8.296 37.492 ( 0.000 -2.851 -3.388) 4.428 37.614 ( 0.000 -6.369 -0.933) 6.437 37.738 ( 0.000 -2.496 9.099) 9.435 37.803 ( 0.000 0.838 7.070) 7.120 38.160 ( 0.000 9.694 4.413) 10.651 38.584 ( 0.000 10.117 -9.587) 13.937 39.109 ( 0.000 -5.744 9.953) 11.491 39.760 ( 0.000 -15.853 6.409) 17.100 39.865 ( 0.000 -4.011 -8.158) 9.091 40.054 ( 0.000 -16.650 -1.941) 16.763 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -2.712 13.870 22.923) 26.930 1.276 ( 12.774 16.219 20.898) 29.376 1.576 ( 8.471 21.603 19.128) 30.072 1.614 ( 1.991 -2.454 1.326) 3.427 1.690 ( 4.370 0.901 -4.607) 6.414 1.813 ( 2.321 1.770 -0.283) 2.933 1.902 ( 6.240 0.765 1.354) 6.431 1.987 ( 0.465 -2.922 4.190) 5.130 2.021 ( -0.023 0.201 -0.388) 0.437 2.037 ( 1.577 8.965 1.527) 9.230 2.113 ( 0.771 -0.163 -1.253) 1.480 2.155 ( -0.171 -1.887 -1.541) 2.442 2.416 ( -1.142 -0.956 -4.538) 4.776 2.497 ( -4.561 -0.879 1.023) 4.756 2.547 ( -4.824 -0.202 4.142) 6.361 2.647 ( -0.196 -0.544 0.504) 0.767 2.672 ( 0.275 -0.385 -0.182) 0.507 2.758 ( -3.262 -0.512 2.893) 4.390 2.784 ( -5.404 0.349 -1.408) 5.595 2.851 ( 1.827 -1.574 3.008) 3.855 2.956 ( -6.307 -2.322 -2.371) 7.127 3.005 ( 1.984 -7.370 1.595) 7.797 3.126 ( 2.095 0.661 -3.917) 4.491 3.335 ( 0.139 -5.329 -6.501) 8.407 3.816 ( 4.181 5.840 1.224) 7.286 4.059 ( 15.526 -2.177 1.938) 15.797 4.110 ( 5.590 0.979 0.636) 5.711 4.216 ( 0.072 -1.301 6.137) 6.274 4.417 ( 4.053 -0.242 -5.979) 7.228 4.716 ( 6.013 7.084 -2.370) 9.590 4.807 ( 2.019 -7.908 -3.964) 9.073 4.876 ( 5.884 1.103 -10.970) 12.497 5.268 ( 2.486 1.749 11.194) 11.599 5.291 ( 5.154 -0.544 7.714) 9.293 5.526 ( 2.357 6.175 2.206) 6.968 5.726 ( 2.308 4.419 0.988) 5.083 5.899 ( -1.337 -0.504 6.551) 6.705 5.903 ( 0.580 5.446 7.643) 9.403 6.010 ( -2.466 1.702 2.783) 4.089 6.207 ( 4.553 3.539 -4.960) 7.606 6.622 ( 2.678 -0.112 -7.831) 8.277 7.093 ( -6.894 -6.905 0.102) 9.758 7.137 ( -12.719 -21.124 -0.449) 24.662 7.280 ( -7.766 -5.939 6.138) 11.544 7.524 ( -8.091 -4.771 4.863) 10.577 7.674 ( 6.532 0.635 -1.037) 6.645 7.787 ( -6.112 -7.255 -1.130) 9.553 7.901 ( 1.172 -5.533 -1.347) 5.814 8.028 ( -1.228 1.370 -8.802) 8.992 8.247 ( -6.028 1.892 -4.297) 7.641 8.280 ( 4.551 -1.064 -10.378) 11.382 8.365 ( -6.238 2.973 -20.214) 21.362 8.610 ( 2.136 -0.985 4.576) 5.145 8.738 ( 6.309 1.482 -5.150) 8.277 8.764 ( 0.283 4.996 -3.877) 6.330 8.823 ( 3.314 -1.173 -2.177) 4.135 9.063 ( 2.640 -3.053 -5.815) 7.079 9.103 ( 4.967 -0.499 -8.312) 9.696 9.243 ( -3.425 2.001 -2.773) 4.840 9.350 ( -0.764 -4.393 5.883) 7.382 9.445 ( 2.651 0.363 3.969) 4.787 9.534 ( 8.420 -3.065 0.811) 8.997 9.786 ( 3.256 3.789 9.389) 10.636 9.940 ( -0.149 2.322 13.335) 13.537 9.963 ( -2.083 3.719 0.507) 4.293 10.113 ( 0.122 6.019 3.844) 7.143 10.161 ( 5.265 -6.040 2.267) 8.327 10.225 ( 1.621 6.245 -0.088) 6.453 10.354 ( -6.235 -2.057 2.429) 7.000 10.607 ( -1.823 3.948 -3.200) 5.399 10.714 ( 2.358 -3.836 -4.712) 6.517 10.821 ( 0.721 0.249 -9.251) 9.283 10.912 ( 3.294 9.552 2.175) 10.336 10.951 ( 1.349 7.220 0.216) 7.348 10.979 ( 1.455 1.779 -2.828) 3.644 11.235 ( -3.016 1.790 -12.347) 12.835 11.325 ( 2.772 0.346 4.917) 5.655 11.394 ( 1.419 -0.689 -1.836) 2.420 11.547 ( -0.416 3.892 -0.698) 3.975 11.641 ( -4.645 -1.921 2.998) 5.852 11.765 ( -3.713 5.145 3.826) 7.409 11.911 ( 0.058 -0.132 -5.796) 5.798 12.017 ( 3.611 -2.740 5.391) 7.044 12.127 ( -1.097 -7.950 3.174) 8.630 12.148 ( 3.881 2.851 1.241) 4.973 12.226 ( -4.714 -5.731 3.302) 8.122 12.434 ( -1.546 -2.715 2.563) 4.041 12.536 ( -3.833 2.901 3.659) 6.041 12.692 ( -3.843 5.018 7.590) 9.877 12.765 ( 1.127 -1.261 2.882) 3.341 12.902 ( -2.646 2.461 3.052) 4.731 12.984 ( -1.882 -4.271 8.095) 9.344 13.098 ( -2.189 -0.445 5.229) 5.686 13.103 ( -1.639 5.730 -0.750) 6.007 13.294 ( 3.048 5.831 2.215) 6.942 13.573 ( 0.569 -4.370 3.167) 5.427 13.639 ( -7.397 -4.421 -7.029) 11.120 13.735 ( 7.082 0.940 0.677) 7.176 13.980 ( -0.896 -16.395 -1.471) 16.485 14.288 ( 1.588 -12.057 -2.365) 12.389 14.485 ( -8.056 6.201 6.311) 11.966 14.696 ( -9.757 2.337 5.847) 11.612 15.304 ( 10.638 6.813 -19.341) 23.101 15.673 ( 1.497 -6.820 -16.511) 17.927 16.102 ( 6.571 7.772 8.311) 13.140 16.368 ( 4.405 9.916 11.522) 15.826 16.849 ( -2.401 -6.605 1.711) 7.233 16.953 ( 1.086 6.745 -11.220) 13.137 17.005 ( -1.736 -5.597 6.667) 8.877 17.383 ( 2.428 5.836 -11.377) 13.015 17.447 ( -5.514 -5.116 -7.303) 10.484 18.066 ( -4.751 -9.098 -12.722) 16.346 18.165 ( 3.858 -0.013 2.844) 4.793 18.227 ( 5.973 -2.372 4.005) 7.572 18.374 ( 6.132 3.143 0.778) 6.934 18.441 ( 5.213 -3.425 0.367) 6.248 18.810 ( -0.745 4.016 -4.600) 6.151 18.915 ( -1.476 3.202 -5.141) 6.234 18.972 ( -2.563 0.614 0.867) 2.775 19.080 ( -1.747 -1.785 -2.921) 3.843 19.219 ( -1.063 1.238 -4.800) 5.070 19.300 ( 2.492 2.370 -8.525) 9.192 19.407 ( 1.393 -2.296 -10.015) 10.369 19.449 ( -1.145 0.253 -3.594) 3.780 19.575 ( 3.436 0.718 -8.947) 9.611 19.697 ( -0.500 4.825 -0.075) 4.852 19.921 ( 1.462 -1.905 6.201) 6.650 20.031 ( -5.119 -0.294 5.488) 7.510 20.118 ( 0.327 2.096 7.915) 8.194 20.262 ( -3.439 -1.513 11.210) 11.823 20.324 ( -1.845 -1.604 1.474) 2.855 20.414 ( -0.698 -1.465 2.535) 3.010 20.505 ( 2.686 -1.020 1.081) 3.070 20.670 ( 2.246 -0.030 1.984) 2.997 20.725 ( 4.232 -1.179 -1.417) 4.616 20.804 ( -2.021 -3.229 -0.908) 3.916 20.881 ( -0.848 -1.665 2.187) 2.876 20.957 ( 1.127 -4.924 -4.471) 6.746 20.975 ( -0.512 -0.012 -0.013) 0.512 21.035 ( -1.056 -1.664 0.621) 2.066 21.190 ( 0.439 3.558 7.745) 8.534 21.396 ( -1.927 0.642 9.878) 10.085 21.653 ( -3.225 2.231 1.925) 4.369 21.711 ( 1.008 5.400 -9.011) 10.553 27.956 ( 1.432 2.330 2.178) 3.496 28.149 ( -0.114 -2.194 2.677) 3.463 28.177 ( 0.254 2.273 -2.532) 3.412 28.243 ( -1.352 -0.023 -0.194) 1.366 28.291 ( -0.698 1.474 -0.544) 1.719 28.312 ( 0.193 -0.111 1.437) 1.454 28.416 ( 0.479 -1.793 -2.486) 3.102 28.444 ( 0.696 -1.632 -1.440) 2.285 36.783 ( 4.655 0.700 3.693) 5.983 36.886 ( 4.777 2.275 2.943) 6.054 36.895 ( 5.255 4.731 0.457) 7.086 37.097 ( 2.649 0.129 0.011) 2.652 37.259 ( -0.824 1.746 4.455) 4.855 37.265 ( -0.628 2.596 3.905) 4.731 37.544 ( 3.726 -2.049 -1.972) 4.687 37.627 ( 1.042 -6.252 -0.739) 6.381 37.742 ( 0.112 -2.946 9.462) 9.911 37.776 ( -2.411 2.141 5.280) 6.187 38.155 ( 0.059 8.547 2.485) 8.901 38.584 ( 0.249 8.415 -9.403) 12.621 39.031 ( -8.014 -4.781 8.407) 12.561 39.354 ( -27.318 0.379 13.477) 30.464 39.730 ( -13.070 -4.274 -7.052) 15.454 39.900 ( -14.290 -15.144 -2.845) 21.015 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 18.877 -5.094 14.844) 24.549 1.527 ( 11.410 7.446 18.366) 22.867 1.691 ( 5.877 0.179 -1.660) 6.110 1.750 ( 7.953 15.494 3.930) 17.854 1.813 ( 6.651 0.662 -2.484) 7.130 1.842 ( 1.036 4.074 0.326) 4.216 1.984 ( -1.906 -4.502 3.166) 5.824 2.010 ( 1.012 -0.915 -0.200) 1.379 2.054 ( 2.263 5.701 -0.184) 6.136 2.104 ( 3.991 0.088 -0.648) 4.044 2.137 ( -0.092 -1.417 -0.360) 1.465 2.155 ( 2.633 -0.780 2.250) 3.550 2.367 ( -5.682 -1.202 -1.999) 6.142 2.400 ( -2.555 -1.241 -1.754) 3.338 2.450 ( -3.104 0.931 4.591) 5.619 2.560 ( -7.789 -1.334 -0.113) 7.904 2.588 ( -8.672 0.059 -0.645) 8.697 2.671 ( -0.803 1.321 1.169) 1.938 2.719 ( -3.763 -1.833 2.416) 4.833 2.824 ( -4.608 2.430 1.039) 5.312 2.903 ( 2.649 -1.706 2.493) 4.018 3.032 ( 0.230 -6.199 2.535) 6.701 3.177 ( 3.163 -0.115 -4.468) 5.476 3.345 ( 0.257 -4.602 -6.053) 7.609 3.903 ( 4.584 4.749 2.283) 6.984 4.148 ( -2.446 0.033 7.305) 7.704 4.225 ( 6.625 1.477 -1.234) 6.899 4.372 ( 7.642 -2.747 -3.333) 8.778 4.522 ( 6.734 -0.845 -3.596) 7.681 4.811 ( 0.884 -7.261 -1.278) 7.426 4.890 ( 7.495 -0.663 1.246) 7.627 5.018 ( 6.865 -0.341 -12.059) 13.881 5.310 ( 1.937 -0.771 15.106) 15.250 5.397 ( 3.182 -6.109 2.694) 7.396 5.633 ( 7.115 3.494 0.692) 7.957 5.800 ( 4.508 6.456 2.956) 8.411 5.847 ( -3.209 -1.634 5.795) 6.823 5.961 ( 5.473 3.529 6.563) 9.246 5.997 ( 1.091 2.626 5.611) 6.290 6.291 ( 4.115 6.943 -5.674) 9.865 6.690 ( 3.862 0.008 -5.532) 6.747 6.851 ( -15.809 -15.689 -2.228) 22.384 6.874 ( -11.702 -6.978 0.787) 13.648 7.175 ( -4.252 -0.930 7.161) 8.380 7.303 ( -10.317 1.758 4.340) 11.330 7.601 ( -10.447 1.607 4.774) 11.598 7.759 ( 2.313 4.305 -1.164) 5.024 7.964 ( 2.772 1.120 -0.170) 2.995 8.038 ( 1.205 3.777 -2.116) 4.494 8.144 ( -3.333 -1.482 -3.696) 5.193 8.225 ( -4.655 5.760 -24.673) 25.760 8.344 ( 0.375 -0.172 -10.041) 10.049 8.595 ( -1.364 2.595 -0.402) 2.959 8.720 ( -3.833 5.263 -7.072) 9.613 8.898 ( 3.272 -3.949 -9.013) 10.370 8.947 ( 9.252 -6.467 -1.209) 11.353 9.147 ( 5.336 -3.243 4.221) 7.537 9.182 ( -0.413 -2.939 -8.133) 8.658 9.242 ( 7.801 -3.747 -9.737) 13.027 9.362 ( 1.904 -2.164 5.253) 5.992 9.482 ( 0.864 -1.058 1.531) 2.052 9.709 ( 7.924 -1.167 3.050) 8.570 9.854 ( 1.361 2.530 6.268) 6.895 9.896 ( -1.854 2.274 8.935) 9.405 9.954 ( -0.274 4.829 6.700) 8.263 10.054 ( -7.175 -0.578 0.061) 7.198 10.232 ( 2.705 3.002 -1.291) 4.242 10.320 ( 3.363 5.534 -0.885) 6.536 10.333 ( 9.140 -12.186 6.265) 16.470 10.577 ( -1.937 5.400 -6.358) 8.564 10.739 ( -0.112 1.308 -2.621) 2.931 10.779 ( -2.683 2.669 -10.528) 11.188 10.931 ( -5.734 6.250 -1.112) 8.554 10.984 ( 1.336 -1.742 -4.349) 4.872 11.104 ( 12.832 -0.290 -1.026) 12.876 11.220 ( 2.731 3.441 -2.540) 5.075 11.367 ( -2.119 -4.290 -2.558) 5.425 11.414 ( 0.458 4.363 7.354) 8.563 11.517 ( -2.803 0.541 5.170) 5.906 11.527 ( -1.186 -4.526 -0.832) 4.752 11.775 ( 2.377 4.262 3.913) 6.255 11.907 ( 0.125 -4.285 2.394) 4.910 11.976 ( -9.065 -2.355 3.508) 10.001 12.048 ( -4.147 -5.294 0.382) 6.736 12.177 ( 2.553 0.426 5.526) 6.102 12.244 ( 2.053 2.874 1.943) 4.031 12.362 ( -4.711 -1.120 3.842) 6.182 12.484 ( -1.721 6.310 1.357) 6.680 12.596 ( -1.769 11.474 1.009) 11.653 12.812 ( -4.458 -1.284 4.128) 6.210 12.885 ( 2.776 0.880 0.856) 3.036 12.982 ( -1.034 0.533 6.962) 7.059 13.069 ( 1.897 0.610 -2.176) 2.951 13.107 ( 1.261 3.817 1.325) 4.233 13.330 ( 1.053 -6.019 -3.417) 7.001 13.484 ( -5.834 -1.267 -3.561) 6.952 13.546 ( -1.213 -2.146 2.451) 3.476 13.787 ( 0.096 4.921 -3.462) 6.018 13.953 ( -3.011 -12.207 7.243) 14.510 14.257 ( -6.431 -1.236 -0.629) 6.579 14.330 ( -3.621 -7.627 13.530) 15.949 14.515 ( -8.153 -5.172 7.030) 11.943 15.491 ( 7.371 2.613 -20.588) 22.024 15.693 ( 0.120 -5.968 -17.820) 18.793 16.281 ( 10.296 1.363 7.533) 12.830 16.493 ( 7.483 6.715 10.399) 14.464 16.785 ( -4.112 -9.712 4.182) 11.346 16.937 ( -4.611 -2.293 5.964) 7.879 16.994 ( 2.888 4.028 -7.897) 9.324 17.319 ( -6.548 -3.105 -6.215) 9.548 17.459 ( 4.844 5.567 -10.347) 12.709 17.925 ( -8.661 -5.274 -10.388) 14.517 18.270 ( 5.947 -0.573 2.610) 6.520 18.357 ( 5.925 -3.562 3.021) 7.544 18.525 ( 7.438 3.280 1.199) 8.217 18.531 ( 3.819 2.467 0.899) 4.635 18.785 ( -1.537 4.108 -2.479) 5.038 18.879 ( -1.696 3.521 -4.942) 6.301 18.911 ( -3.555 0.339 2.509) 4.365 19.033 ( -2.753 -1.087 -1.913) 3.524 19.219 ( 1.239 0.385 -7.789) 7.896 19.335 ( 0.504 4.281 -3.646) 5.646 19.380 ( -1.326 0.196 -10.744) 10.828 19.501 ( 3.149 -2.440 -7.050) 8.098 19.591 ( -0.575 -1.290 -5.423) 5.603 19.773 ( 7.094 0.466 -5.736) 9.135 19.921 ( -3.712 -1.762 1.632) 4.421 19.966 ( 1.014 0.606 4.480) 4.633 20.134 ( 0.735 1.014 7.570) 7.673 20.208 ( -2.016 -1.930 8.495) 8.942 20.275 ( -2.655 -1.003 1.733) 3.325 20.376 ( -2.943 -0.113 3.647) 4.688 20.597 ( 5.432 -1.667 -1.034) 5.775 20.711 ( 1.850 -0.675 -2.014) 2.817 20.758 ( -1.015 -2.422 -1.856) 3.216 20.783 ( 0.732 0.090 -0.587) 0.942 20.859 ( -1.195 -0.709 0.801) 1.604 20.943 ( -2.242 -2.650 -5.635) 6.618 20.975 ( -0.073 -1.876 1.863) 2.645 21.011 ( -0.989 -2.158 1.352) 2.732 21.210 ( 1.638 2.036 9.299) 9.659 21.367 ( -1.036 0.427 9.550) 9.616 21.575 ( -3.747 4.945 2.563) 6.713 21.688 ( -3.103 3.531 -3.285) 5.735 27.993 ( 2.136 2.168 1.771) 3.521 28.135 ( -1.450 -0.922 1.729) 2.437 28.184 ( 0.476 1.135 -2.008) 2.355 28.221 ( -0.717 -0.518 -0.298) 0.933 28.280 ( -0.292 1.709 -0.520) 1.810 28.310 ( -0.404 0.141 1.774) 1.825 28.430 ( 0.827 -1.304 -2.106) 2.612 28.457 ( 0.423 -1.260 -1.496) 2.002 36.924 ( 8.364 1.456 4.062) 9.411 36.995 ( 5.445 1.230 4.180) 6.974 37.037 ( 7.014 4.733 -0.331) 8.468 37.161 ( 4.246 1.843 1.413) 4.840 37.238 ( -0.902 1.226 5.791) 5.987 37.271 ( 1.418 5.521 0.662) 5.738 37.595 ( -0.419 0.383 2.177) 2.250 37.631 ( -0.889 -2.162 -0.373) 2.367 37.694 ( -3.924 2.077 4.662) 6.438 37.754 ( -0.404 -0.913 8.660) 8.717 38.208 ( 6.371 4.225 -2.268) 7.974 38.611 ( 2.932 3.784 -9.245) 10.411 38.784 ( -12.451 0.978 5.392) 13.603 38.968 ( -11.739 -2.813 8.771) 14.922 39.371 ( -20.883 -4.925 -5.099) 22.053 39.526 ( -20.695 -10.902 -4.112) 23.750 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 23.307 -10.086 5.285) 25.940 1.722 ( 7.366 3.437 9.911) 12.818 1.769 ( -12.621 -3.596 0.351) 13.128 1.812 ( 1.487 4.104 -2.107) 4.847 1.864 ( -1.237 -2.803 1.524) 3.422 1.882 ( 3.094 7.724 1.025) 8.384 1.954 ( 3.474 1.310 0.682) 3.775 1.995 ( -1.979 -1.124 1.921) 2.978 2.090 ( 2.933 4.604 0.611) 5.494 2.128 ( 0.350 0.936 -1.586) 1.875 2.149 ( 1.847 0.774 -1.026) 2.251 2.193 ( -1.371 -2.148 -3.096) 4.010 2.286 ( -1.582 -0.583 -0.689) 1.822 2.337 ( -3.446 -0.879 -0.138) 3.559 2.395 ( -3.597 -0.977 -0.202) 3.733 2.437 ( -4.370 -0.309 -0.282) 4.390 2.500 ( 3.637 -1.033 4.936) 6.218 2.599 ( -5.023 -1.423 5.833) 7.828 2.703 ( 1.566 3.282 1.655) 3.995 2.753 ( -3.028 3.986 2.587) 5.635 2.958 ( 2.702 -2.613 2.717) 4.638 3.010 ( -2.162 -4.034 2.970) 5.456 3.255 ( 4.118 -1.615 -5.457) 7.025 3.325 ( -2.376 -3.180 -5.798) 7.027 3.999 ( 4.617 3.511 3.919) 7.000 4.084 ( -3.685 1.987 5.627) 7.013 4.350 ( 5.222 1.925 -2.929) 6.289 4.422 ( -1.352 1.028 -3.716) 4.086 4.677 ( 7.022 -4.461 -1.798) 8.511 4.783 ( -3.315 -6.975 -1.549) 7.876 5.046 ( 6.466 -5.649 4.419) 9.656 5.110 ( 0.973 -5.019 -3.570) 6.235 5.358 ( 2.955 -3.498 8.394) 9.562 5.412 ( -1.470 -4.545 1.411) 4.981 5.730 ( 2.531 0.287 5.566) 6.121 5.780 ( -2.909 -0.951 6.391) 7.086 5.902 ( 5.181 4.895 3.445) 7.916 5.980 ( -1.894 1.818 5.302) 5.917 6.184 ( 13.200 -1.345 1.794) 13.389 6.381 ( 1.988 2.434 -5.533) 6.363 6.538 ( -9.957 -0.610 0.296) 9.980 6.636 ( -10.595 1.583 -0.115) 10.713 6.813 ( 6.916 2.321 -2.992) 7.885 6.995 ( -10.673 2.325 0.559) 10.937 7.254 ( 3.764 0.959 8.618) 9.453 7.393 ( -9.184 0.577 9.043) 12.902 7.821 ( 4.313 8.337 -2.915) 9.829 7.928 ( -5.313 10.482 -1.448) 11.840 8.062 ( 1.410 1.132 -1.810) 2.558 8.096 ( -2.037 0.480 -2.416) 3.196 8.229 ( 4.047 1.692 -18.113) 18.637 8.313 ( -3.248 2.752 -11.504) 12.266 8.586 ( 0.821 1.803 -5.858) 6.184 8.635 ( -3.790 3.325 -7.473) 9.015 8.956 ( 2.611 -5.992 -12.315) 13.942 9.005 ( -1.783 -4.316 -11.229) 12.161 9.243 ( 5.121 -6.311 7.660) 11.168 9.269 ( 3.811 -7.516 1.899) 8.639 9.363 ( 2.615 -5.101 -2.649) 6.315 9.405 ( -0.166 -2.511 3.536) 4.340 9.543 ( 8.416 3.099 -2.123) 9.216 9.757 ( -9.427 3.134 4.980) 11.113 9.850 ( 4.061 -0.334 3.761) 5.545 9.889 ( -1.228 3.840 -0.844) 4.119 9.900 ( -0.368 1.525 5.116) 5.351 9.961 ( -2.651 1.472 8.194) 8.737 10.306 ( 4.564 2.345 -4.663) 6.934 10.417 ( -4.627 -0.521 -4.995) 6.828 10.469 ( 10.557 4.107 -1.702) 11.455 10.585 ( 5.684 -3.253 -2.740) 7.099 10.688 ( -4.775 1.830 -6.282) 8.100 10.715 ( -10.693 2.787 -3.440) 11.573 10.850 ( 6.998 -3.819 -0.987) 8.033 10.989 ( -3.148 -4.046 1.677) 5.394 11.266 ( 0.266 -8.929 -1.189) 9.012 11.301 ( -0.634 0.692 1.053) 1.410 11.343 ( 1.259 2.476 -2.158) 3.518 11.426 ( -4.294 0.027 3.214) 5.364 11.449 ( 12.560 0.147 2.937) 12.900 11.647 ( 7.385 -4.708 3.645) 9.486 11.725 ( -12.230 -2.544 3.942) 13.099 11.775 ( -2.733 0.944 0.756) 2.989 11.962 ( -0.580 -0.907 6.396) 6.486 12.010 ( 1.300 -2.343 3.876) 4.712 12.132 ( -1.315 9.186 1.670) 9.429 12.233 ( -4.257 4.850 2.702) 6.996 12.406 ( 6.809 2.846 0.636) 7.407 12.483 ( 2.966 3.865 -1.623) 5.135 12.557 ( -2.954 7.561 1.113) 8.193 12.670 ( -9.341 3.474 2.506) 10.276 12.862 ( -0.689 9.111 2.413) 9.451 12.911 ( -4.270 6.176 2.976) 8.077 13.191 ( 6.266 -4.347 -0.655) 7.654 13.199 ( 8.340 -3.733 -0.970) 9.188 13.304 ( -4.247 -8.257 -3.714) 10.000 13.373 ( -7.098 -4.196 -1.305) 8.348 13.607 ( 8.032 -1.287 5.694) 9.930 13.798 ( -7.319 -4.357 5.717) 10.258 13.884 ( 6.349 1.907 -0.453) 6.645 14.092 ( -10.200 -1.207 -2.357) 10.538 14.306 ( 1.541 -6.323 12.980) 14.520 14.378 ( -5.043 -8.427 12.400) 15.818 15.608 ( 4.351 -0.604 -19.721) 20.204 15.673 ( -2.062 -3.510 -18.806) 19.241 16.494 ( 10.064 -5.470 6.556) 13.198 16.657 ( 8.167 3.158 9.369) 12.824 16.672 ( -7.045 -9.503 5.575) 13.077 16.816 ( -7.059 -0.098 7.976) 10.652 17.075 ( 4.912 1.805 -7.004) 8.744 17.189 ( -6.088 -0.784 -6.197) 8.723 17.579 ( 6.894 4.086 -9.215) 12.212 17.740 ( -8.831 0.293 -8.858) 12.512 18.385 ( 4.697 -1.710 2.232) 5.474 18.432 ( 0.690 -3.183 2.187) 3.923 18.604 ( 3.325 4.841 -0.596) 5.903 18.634 ( 1.977 4.430 0.260) 4.858 18.764 ( 0.427 3.563 0.470) 3.620 18.825 ( -4.444 1.556 3.795) 6.048 18.881 ( 2.572 2.380 -2.648) 4.392 18.961 ( -4.302 0.718 -1.226) 4.531 19.267 ( 3.155 0.227 -10.660) 11.120 19.328 ( -2.008 0.223 -10.737) 10.926 19.383 ( 2.519 1.854 -4.025) 5.098 19.464 ( -4.441 0.472 -0.431) 4.487 19.679 ( 6.971 -4.370 -8.582) 11.889 19.813 ( -5.487 -3.618 -3.573) 7.481 19.925 ( 5.448 -0.069 -4.448) 7.034 19.987 ( -0.277 0.391 0.816) 0.947 20.138 ( 0.148 -2.005 6.173) 6.492 20.165 ( -2.323 -3.347 5.779) 7.071 20.251 ( 1.084 1.753 4.529) 4.976 20.305 ( -3.590 1.295 3.524) 5.194 20.697 ( 3.498 -2.639 -1.533) 4.643 20.735 ( -0.665 -2.242 -0.645) 2.426 20.754 ( 2.289 -0.371 -4.032) 4.651 20.793 ( -0.222 0.039 -1.001) 1.026 20.840 ( -0.247 -0.397 -0.359) 0.590 20.877 ( -3.605 -2.211 -4.760) 6.367 20.977 ( 0.527 -0.926 1.027) 1.480 20.994 ( -0.902 -2.275 1.113) 2.688 21.260 ( 3.272 0.437 10.481) 10.989 21.331 ( -3.018 -1.147 10.506) 10.991 21.541 ( 1.131 7.365 2.232) 7.779 21.606 ( -4.353 5.280 0.508) 6.862 28.042 ( 2.527 1.518 1.349) 3.241 28.093 ( -2.450 0.504 1.101) 2.733 28.196 ( 0.664 0.151 -1.337) 1.500 28.209 ( -0.581 -0.501 -0.697) 1.037 28.283 ( 0.544 1.367 0.443) 1.537 28.297 ( -0.765 0.666 1.410) 1.737 28.447 ( 0.773 -1.066 -1.818) 2.245 28.459 ( -0.272 -1.039 -1.619) 1.943 37.064 ( 3.960 0.505 4.179) 5.779 37.100 ( 1.462 0.888 2.305) 2.871 37.113 ( 4.393 1.340 4.797) 6.642 37.195 ( -2.421 0.967 5.373) 5.972 37.322 ( 8.305 7.278 -0.480) 11.054 37.355 ( 7.946 6.569 -0.262) 10.313 37.488 ( -7.828 4.701 0.764) 9.163 37.545 ( -8.198 5.570 -0.979) 9.960 37.679 ( 1.822 0.153 7.544) 7.763 37.724 ( -2.300 -0.337 10.628) 10.879 38.436 ( 15.420 -1.556 -5.942) 16.598 38.649 ( -1.335 -4.103 -0.502) 4.344 38.691 ( 1.515 -3.823 -8.564) 9.500 38.773 ( -8.598 -3.512 2.302) 9.568 38.976 ( -11.037 -3.053 -0.628) 11.469 39.124 ( -17.113 -5.612 -3.637) 18.373 ======================= Grid point 49 (21/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 16.008 7.637) 17.736 1.473 ( 0.000 -0.911 9.395) 9.439 1.490 ( 0.000 8.202 11.911) 14.461 1.675 ( 0.000 -0.746 -1.937) 2.076 1.769 ( 0.000 -0.590 1.858) 1.949 1.822 ( 0.000 -7.849 10.127) 12.813 1.982 ( 0.000 5.422 0.207) 5.426 1.983 ( 0.000 22.302 5.380) 22.941 2.069 ( 0.000 2.269 -3.298) 4.003 2.084 ( 0.000 -2.647 -1.960) 3.293 2.121 ( 0.000 0.805 -1.597) 1.789 2.294 ( 0.000 14.916 3.718) 15.372 2.357 ( 0.000 -8.403 -2.633) 8.806 2.550 ( 0.000 -7.446 3.631) 8.284 2.562 ( 0.000 0.689 -0.301) 0.752 2.606 ( 0.000 -3.887 -0.192) 3.892 2.640 ( 0.000 2.112 4.234) 4.731 2.709 ( 0.000 -5.036 5.198) 7.238 2.800 ( 0.000 0.193 2.394) 2.402 2.820 ( 0.000 -3.596 2.268) 4.251 2.881 ( 0.000 0.239 -2.435) 2.446 2.927 ( 0.000 -4.408 -2.867) 5.258 3.153 ( 0.000 3.194 -5.681) 6.518 3.232 ( 0.000 -4.779 -6.428) 8.010 3.957 ( 0.000 10.879 4.489) 11.768 3.987 ( 0.000 7.646 6.051) 9.751 4.062 ( 0.000 -0.122 2.856) 2.859 4.139 ( 0.000 -5.946 7.708) 9.734 4.359 ( 0.000 1.759 -0.832) 1.946 4.541 ( 0.000 -14.113 -0.111) 14.113 4.832 ( 0.000 5.709 -6.540) 8.681 4.852 ( 0.000 2.325 -10.083) 10.347 5.304 ( 0.000 2.594 11.073) 11.373 5.307 ( 0.000 1.949 13.482) 13.622 5.716 ( 0.000 10.471 0.688) 10.493 5.818 ( 0.000 7.719 -0.236) 7.722 5.872 ( 0.000 -4.196 4.300) 6.008 5.981 ( 0.000 -7.986 -0.463) 7.999 6.154 ( 0.000 15.569 -7.927) 17.471 6.295 ( 0.000 20.415 0.949) 20.437 6.491 ( 0.000 -15.257 -13.081) 20.097 6.817 ( 0.000 -23.645 -1.855) 23.718 7.060 ( 0.000 -1.803 6.084) 6.346 7.202 ( 0.000 -10.701 5.123) 11.864 7.368 ( 0.000 -5.740 8.485) 10.244 7.398 ( 0.000 -7.539 -3.001) 8.115 7.767 ( 0.000 1.519 6.152) 6.336 7.828 ( 0.000 -3.035 4.644) 5.548 8.050 ( 0.000 -2.952 -12.970) 13.302 8.053 ( 0.000 -2.234 -13.203) 13.390 8.364 ( 0.000 5.034 -1.962) 5.403 8.466 ( 0.000 -2.406 -6.669) 7.090 8.648 ( 0.000 2.680 5.027) 5.697 8.704 ( 0.000 -2.736 1.298) 3.029 8.781 ( 0.000 3.426 -9.280) 9.892 8.836 ( 0.000 -1.203 -7.705) 7.798 8.990 ( 0.000 2.251 -15.309) 15.474 9.059 ( 0.000 -2.578 -15.020) 15.240 9.324 ( 0.000 0.393 -0.645) 0.756 9.362 ( 0.000 -2.784 -2.622) 3.824 9.397 ( 0.000 4.064 6.508) 7.673 9.439 ( 0.000 0.172 9.940) 9.941 9.861 ( 0.000 5.834 11.590) 12.975 9.948 ( 0.000 -2.120 12.336) 12.517 10.022 ( 0.000 -1.176 -0.941) 1.506 10.023 ( 0.000 0.306 -3.022) 3.037 10.217 ( 0.000 3.434 0.675) 3.500 10.324 ( 0.000 -4.482 -5.861) 7.378 10.434 ( 0.000 4.389 1.734) 4.719 10.519 ( 0.000 -2.912 -5.091) 5.865 10.745 ( 0.000 9.121 -6.348) 11.113 10.839 ( 0.000 2.738 -10.934) 11.272 10.963 ( 0.000 4.314 -3.836) 5.773 11.063 ( 0.000 -2.802 -1.669) 3.261 11.140 ( 0.000 4.851 -4.150) 6.384 11.232 ( 0.000 -4.788 -1.704) 5.083 11.357 ( 0.000 4.641 -1.490) 4.874 11.414 ( 0.000 2.147 1.680) 2.726 11.629 ( 0.000 3.655 3.195) 4.855 11.665 ( 0.000 -0.968 3.602) 3.729 11.831 ( 0.000 1.330 -7.414) 7.532 11.860 ( 0.000 -0.806 4.541) 4.612 12.040 ( 0.000 0.715 0.019) 0.715 12.074 ( 0.000 -0.478 -5.406) 5.428 12.131 ( 0.000 1.569 14.444) 14.529 12.200 ( 0.000 2.648 10.942) 11.258 12.350 ( 0.000 -4.240 5.718) 7.119 12.428 ( 0.000 -19.067 18.364) 26.472 12.723 ( 0.000 9.133 2.703) 9.524 12.791 ( 0.000 -3.040 6.548) 7.219 12.901 ( 0.000 -3.528 -4.449) 5.678 12.961 ( 0.000 -1.657 -0.118) 1.661 13.142 ( 0.000 2.517 11.482) 11.755 13.245 ( 0.000 -4.016 2.362) 4.659 13.389 ( 0.000 11.581 6.892) 13.477 13.532 ( 0.000 4.188 4.706) 6.300 13.651 ( 0.000 4.693 -0.280) 4.702 13.672 ( 0.000 0.963 -7.227) 7.291 13.809 ( 0.000 -6.436 -4.469) 7.835 13.982 ( 0.000 -16.230 5.120) 17.019 14.840 ( 0.000 14.468 -2.134) 14.625 15.082 ( 0.000 13.750 -5.461) 14.795 15.090 ( 0.000 -9.202 -6.981) 11.550 15.394 ( 0.000 -15.920 -11.102) 19.408 16.325 ( 0.000 16.571 3.698) 16.979 16.577 ( 0.000 12.921 11.120) 17.047 16.653 ( 0.000 -14.781 3.107) 15.104 16.828 ( 0.000 -11.411 8.914) 14.480 17.160 ( 0.000 10.670 -15.235) 18.600 17.355 ( 0.000 -8.716 -11.076) 14.094 17.540 ( 0.000 11.740 -11.671) 16.554 17.827 ( 0.000 -15.910 -12.654) 20.329 18.129 ( 0.000 0.347 4.265) 4.279 18.140 ( 0.000 -0.678 4.908) 4.954 18.331 ( 0.000 0.432 0.143) 0.455 18.334 ( 0.000 0.514 0.327) 0.609 18.924 ( 0.000 5.452 -4.499) 7.069 19.001 ( 0.000 -1.736 -0.296) 1.761 19.004 ( 0.000 3.841 -2.310) 4.482 19.068 ( 0.000 -2.013 -3.847) 4.342 19.244 ( 0.000 0.146 -9.559) 9.560 19.269 ( 0.000 -1.529 -14.258) 14.340 19.345 ( 0.000 0.732 -14.693) 14.712 19.396 ( 0.000 -3.682 -10.448) 11.078 19.701 ( 0.000 8.013 0.563) 8.033 19.828 ( 0.000 -4.535 2.984) 5.429 19.865 ( 0.000 8.647 1.925) 8.858 20.031 ( 0.000 -7.245 1.781) 7.460 20.138 ( 0.000 3.785 11.089) 11.717 20.234 ( 0.000 -4.960 8.247) 9.624 20.354 ( 0.000 0.692 11.117) 11.139 20.379 ( 0.000 -1.728 5.652) 5.911 20.510 ( 0.000 -0.285 2.988) 3.002 20.518 ( 0.000 -1.209 7.171) 7.272 20.730 ( 0.000 2.283 -1.021) 2.501 20.767 ( 0.000 -1.813 -0.809) 1.985 20.876 ( 0.000 0.313 -0.392) 0.502 20.900 ( 0.000 -1.878 -3.002) 3.541 20.989 ( 0.000 0.795 -2.379) 2.509 21.013 ( 0.000 -1.526 -1.213) 1.949 21.282 ( 0.000 4.868 9.109) 10.328 21.370 ( 0.000 -3.665 10.920) 11.519 21.726 ( 0.000 2.133 -0.810) 2.281 21.759 ( 0.000 -0.351 -5.803) 5.814 28.003 ( 0.000 3.765 2.617) 4.585 28.083 ( 0.000 -3.864 2.731) 4.732 28.246 ( 0.000 4.030 -2.554) 4.772 28.273 ( 0.000 1.111 0.496) 1.216 28.288 ( 0.000 -1.037 0.836) 1.332 28.341 ( 0.000 -4.301 -2.728) 5.093 28.346 ( 0.000 2.415 -0.913) 2.582 28.395 ( 0.000 -2.261 -1.124) 2.525 36.775 ( 0.000 3.029 4.234) 5.206 36.826 ( 0.000 -1.579 4.570) 4.835 36.985 ( 0.000 7.218 -4.289) 8.397 37.065 ( 0.000 -0.881 -2.752) 2.889 37.284 ( 0.000 1.769 7.722) 7.922 37.367 ( 0.000 2.849 0.972) 3.010 37.388 ( 0.000 -3.905 1.716) 4.266 37.491 ( 0.000 -5.791 -0.160) 5.794 37.715 ( 0.000 0.813 12.327) 12.353 37.767 ( 0.000 -3.481 14.674) 15.081 38.430 ( 0.000 15.578 2.490) 15.776 38.697 ( 0.000 -6.640 -5.615) 8.696 39.129 ( 0.000 14.933 3.796) 15.408 39.550 ( 0.000 -18.034 -5.569) 18.874 39.709 ( 0.000 -5.330 -3.629) 6.448 39.763 ( 0.000 -5.399 -8.339) 9.934 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -6.377 21.761 10.465) 24.975 1.487 ( 0.930 -10.622 4.460) 11.558 1.546 ( 4.972 10.182 15.388) 19.110 1.709 ( 3.487 0.579 -1.220) 3.739 1.804 ( 4.028 -1.563 0.397) 4.339 1.847 ( 2.535 -6.370 9.508) 11.722 1.972 ( -0.386 6.805 0.810) 6.864 2.033 ( 2.341 9.246 1.101) 9.601 2.058 ( 0.324 4.490 -1.139) 4.643 2.093 ( 0.803 -1.387 -1.463) 2.170 2.124 ( 0.578 3.102 -0.596) 3.211 2.287 ( -0.294 12.023 2.436) 12.271 2.347 ( -0.884 -7.673 -1.792) 7.929 2.474 ( -4.875 -0.110 0.628) 4.916 2.544 ( -4.681 -0.168 3.736) 5.991 2.579 ( -1.286 -7.177 2.470) 7.698 2.681 ( 3.440 0.970 0.034) 3.575 2.739 ( -0.602 -1.085 3.012) 3.258 2.787 ( -6.007 0.497 -0.950) 6.101 2.831 ( 1.621 0.225 1.656) 2.328 2.863 ( 0.877 -4.105 1.471) 4.447 2.883 ( -2.399 -4.773 -0.708) 5.389 3.147 ( 0.342 1.527 -6.194) 6.388 3.225 ( 0.077 -4.335 -5.865) 7.294 3.977 ( 1.845 8.631 3.979) 9.682 4.092 ( 6.459 2.402 4.598) 8.284 4.143 ( 3.355 -0.828 5.078) 6.142 4.164 ( 7.954 -0.419 3.538) 8.716 4.396 ( 3.316 0.599 -0.075) 3.370 4.557 ( 1.483 -13.429 0.295) 13.514 4.821 ( 1.957 2.520 -8.916) 9.470 4.960 ( 6.143 4.386 -8.322) 11.235 5.303 ( 0.163 1.394 9.085) 9.193 5.310 ( 0.277 0.763 13.046) 13.071 5.715 ( 0.137 9.593 1.220) 9.671 5.827 ( 0.149 2.545 2.246) 3.397 5.876 ( 0.877 0.346 2.645) 2.808 5.976 ( 0.066 -4.185 1.764) 4.542 6.121 ( -2.077 11.843 -4.747) 12.927 6.320 ( 2.077 11.424 -3.112) 12.021 6.524 ( 2.176 -14.064 -9.521) 17.122 6.770 ( -3.850 -11.061 1.006) 11.755 6.885 ( -10.420 -8.594 1.900) 13.640 7.254 ( 3.050 2.356 5.173) 6.451 7.393 ( -2.615 -4.975 14.400) 15.458 7.486 ( 5.537 -12.439 2.699) 13.881 7.760 ( 4.670 2.304 -4.127) 6.645 7.869 ( -1.050 1.062 -7.260) 7.412 7.949 ( 1.458 -6.137 -9.391) 11.312 8.255 ( 8.400 0.751 -5.063) 9.837 8.379 ( -4.646 6.665 1.270) 8.223 8.392 ( -0.997 -1.616 -10.987) 11.150 8.591 ( 0.133 1.172 -3.978) 4.149 8.746 ( -0.353 -2.686 -3.836) 4.696 8.804 ( -2.004 -2.190 -3.983) 4.967 8.815 ( 3.766 -0.136 -2.551) 4.550 8.995 ( 0.487 1.770 -12.892) 13.022 9.120 ( 4.661 -0.387 -11.179) 12.118 9.295 ( -5.661 2.671 0.302) 6.266 9.338 ( 1.367 1.837 1.017) 2.506 9.442 ( 0.248 0.173 6.224) 6.231 9.464 ( 6.586 -4.167 2.459) 8.172 9.872 ( 0.759 3.534 11.295) 11.859 9.933 ( -1.496 -1.207 8.243) 8.465 10.013 ( 0.566 0.657 2.904) 3.031 10.048 ( 1.610 -2.366 0.368) 2.885 10.242 ( 1.660 3.612 -0.077) 3.976 10.274 ( -4.114 1.431 -2.838) 5.199 10.431 ( -0.847 1.592 -0.411) 1.850 10.540 ( 2.764 -5.476 -3.419) 7.023 10.745 ( 0.115 8.381 -8.926) 12.244 10.849 ( 0.690 1.077 -12.719) 12.783 10.934 ( -3.027 0.442 -6.862) 7.513 11.077 ( 2.004 2.739 1.844) 3.863 11.197 ( 3.359 3.157 -2.021) 5.033 11.265 ( 1.308 -0.147 0.618) 1.454 11.320 ( -2.567 2.097 -1.859) 3.800 11.391 ( -1.348 3.013 -2.285) 4.014 11.610 ( -4.309 -0.356 7.197) 8.396 11.624 ( -1.736 0.090 -0.554) 1.824 11.785 ( 0.763 -1.751 0.011) 1.910 11.906 ( -5.869 2.954 6.374) 9.154 11.976 ( -0.825 -0.639 7.040) 7.117 12.014 ( -2.277 -5.084 -0.152) 5.573 12.129 ( 1.451 3.129 4.672) 5.807 12.274 ( 4.054 4.599 0.968) 6.206 12.329 ( -0.438 -7.529 12.397) 14.511 12.519 ( 6.102 -10.756 13.245) 18.121 12.655 ( -4.190 0.437 -0.954) 4.319 12.815 ( 0.332 6.672 5.658) 8.754 12.910 ( 1.358 -2.925 -1.410) 3.520 12.952 ( -0.604 -0.186 -2.267) 2.353 13.117 ( 1.422 5.088 3.965) 6.605 13.235 ( -3.799 2.663 0.589) 4.676 13.442 ( -4.224 0.164 0.611) 4.271 13.488 ( 0.122 4.543 5.422) 7.075 13.562 ( -1.101 -2.280 0.341) 2.555 13.707 ( -3.796 -6.527 3.816) 8.460 13.812 ( 4.851 2.200 -4.304) 6.848 14.016 ( 1.615 -12.049 4.659) 13.019 14.677 ( -13.617 8.153 2.626) 16.087 14.726 ( -17.381 0.667 1.741) 17.481 15.363 ( 10.733 1.340 -12.642) 16.638 15.479 ( 5.699 -9.182 -14.799) 18.324 16.330 ( 0.734 13.571 5.165) 14.539 16.582 ( 1.189 9.981 10.254) 14.359 16.628 ( -2.557 -13.336 3.733) 14.082 16.849 ( 1.334 -8.738 9.156) 12.726 17.132 ( -2.008 9.209 -12.967) 16.030 17.311 ( -3.634 -7.789 -10.021) 13.202 17.555 ( 1.467 10.694 -11.274) 15.608 17.816 ( -1.083 -13.607 -11.434) 17.806 18.170 ( 3.822 0.518 4.035) 5.582 18.188 ( 4.496 -1.379 4.704) 6.651 18.402 ( 6.147 0.001 0.600) 6.176 18.436 ( 8.348 1.340 -0.724) 8.486 18.907 ( -1.616 4.410 -4.501) 6.505 18.974 ( -2.353 0.952 -0.854) 2.678 18.994 ( -1.114 2.010 -1.251) 2.616 19.043 ( -1.833 -2.016 -2.930) 4.002 19.233 ( -0.748 0.548 -11.061) 11.100 19.286 ( 1.959 -1.981 -10.156) 10.531 19.380 ( 2.962 0.166 -18.190) 18.431 19.419 ( 0.650 -2.620 -4.794) 5.502 19.662 ( -1.260 4.461 -7.500) 8.817 19.825 ( -3.315 7.301 1.175) 8.104 19.892 ( 3.752 -0.978 5.517) 6.743 19.978 ( -4.100 -5.089 4.396) 7.876 20.146 ( 0.170 1.634 9.412) 9.554 20.205 ( -2.613 -3.635 9.594) 10.587 20.300 ( -2.525 -0.498 8.694) 9.067 20.382 ( -0.158 -1.101 5.009) 5.131 20.493 ( 2.419 -0.203 -1.119) 2.673 20.644 ( 5.162 -1.094 7.967) 9.556 20.731 ( -0.146 0.625 -3.057) 3.124 20.770 ( 0.728 -0.258 -1.285) 1.500 20.867 ( -0.789 0.269 -0.815) 1.166 20.893 ( -0.673 -2.183 -3.237) 3.962 20.977 ( -0.788 0.121 -0.645) 1.025 21.006 ( -0.860 -1.040 -1.015) 1.689 21.280 ( -0.186 4.607 9.836) 10.863 21.362 ( -0.715 -3.160 11.098) 11.561 21.706 ( -1.734 2.623 -0.502) 3.184 21.752 ( -0.830 -0.692 -4.506) 4.634 28.015 ( 1.076 3.303 2.260) 4.145 28.090 ( 0.620 -3.378 2.661) 4.344 28.226 ( -1.563 1.589 -1.427) 2.646 28.254 ( -1.166 1.276 -1.071) 2.034 28.303 ( 0.770 0.130 0.945) 1.226 28.326 ( -0.873 0.677 -1.115) 1.570 28.366 ( 1.466 -2.269 -2.644) 3.780 28.412 ( 1.260 -1.267 -0.628) 1.894 36.828 ( 5.153 2.780 4.302) 7.266 36.885 ( 5.265 -0.958 4.579) 7.043 37.027 ( 3.366 4.405 -2.941) 6.276 37.118 ( 4.818 1.834 -2.005) 5.532 37.271 ( -0.088 2.017 6.036) 6.365 37.374 ( 0.565 5.618 0.318) 5.655 37.446 ( 4.860 -6.550 1.156) 8.238 37.511 ( 1.944 -5.229 0.213) 5.583 37.707 ( -0.837 0.088 11.701) 11.731 37.762 ( -0.415 -2.558 13.224) 13.476 38.399 ( -2.727 14.622 2.027) 15.012 38.661 ( -3.295 -7.527 -5.088) 9.665 39.053 ( -6.974 13.364 1.595) 15.158 39.386 ( -15.967 -3.858 -5.685) 17.383 39.533 ( -13.359 -12.982 -2.996) 18.867 39.624 ( -13.665 -5.844 -5.399) 15.812 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 3.524 20.238 12.863) 24.238 1.523 ( 2.563 -18.293 5.241) 19.200 1.664 ( 6.168 5.160 11.650) 14.156 1.802 ( 4.834 2.398 0.181) 5.399 1.906 ( 4.099 -4.288 5.413) 8.030 1.915 ( 2.799 1.499 0.143) 3.179 1.976 ( 2.025 4.149 -0.365) 4.631 2.033 ( 0.106 2.038 -0.515) 2.104 2.076 ( -0.447 -0.252 -0.519) 0.730 2.124 ( 1.722 -1.431 -1.163) 2.523 2.161 ( 2.653 8.297 -0.633) 8.734 2.269 ( -1.811 6.378 -0.958) 6.699 2.328 ( -1.492 -5.194 -0.134) 5.406 2.360 ( -5.403 1.645 -0.770) 5.700 2.453 ( -4.275 -1.439 3.274) 5.574 2.513 ( -4.378 -2.598 2.635) 5.732 2.584 ( -10.752 0.106 -0.604) 10.770 2.648 ( -6.295 -3.834 4.231) 8.499 2.738 ( 1.860 3.167 -0.493) 3.706 2.855 ( -0.291 0.441 1.522) 1.611 2.870 ( 1.760 -0.984 2.101) 2.912 2.913 ( 1.799 -4.150 3.183) 5.531 3.178 ( 2.386 0.460 -6.458) 6.900 3.246 ( 1.492 -3.958 -5.655) 7.062 4.020 ( 2.219 5.584 3.785) 7.101 4.131 ( -0.281 -1.547 7.097) 7.269 4.271 ( 7.697 2.476 -0.930) 8.139 4.368 ( 8.239 1.128 0.690) 8.344 4.485 ( 5.426 -0.917 0.772) 5.556 4.598 ( 2.341 -10.739 0.923) 11.030 4.893 ( 4.223 0.603 -5.114) 6.660 5.035 ( 0.658 1.275 -3.502) 3.784 5.301 ( -0.122 0.308 6.528) 6.536 5.338 ( 2.060 -1.364 1.738) 3.021 5.730 ( 1.121 5.364 3.259) 6.375 5.806 ( -1.729 -2.000 4.652) 5.351 5.918 ( 2.951 3.798 2.993) 5.665 5.994 ( 1.528 0.693 5.403) 5.658 6.113 ( 1.827 5.522 -1.804) 6.090 6.349 ( -0.311 -0.732 -3.886) 3.967 6.525 ( -1.969 -9.953 0.136) 10.147 6.703 ( -2.743 -2.955 2.769) 4.891 6.758 ( -0.332 -1.580 -3.401) 3.765 7.235 ( -9.027 2.148 12.321) 15.425 7.321 ( 1.858 6.647 5.436) 8.786 7.544 ( -1.139 -9.496 2.572) 9.904 7.855 ( 1.837 -2.300 -14.136) 14.439 7.915 ( 7.260 6.221 -5.865) 11.217 8.039 ( 6.016 -3.959 -9.996) 12.320 8.225 ( -6.168 5.072 0.765) 8.022 8.288 ( -4.629 1.214 -8.015) 9.335 8.410 ( 0.746 3.907 -10.208) 10.956 8.673 ( 0.695 4.316 -4.293) 6.127 8.751 ( 1.332 -3.263 0.833) 3.621 8.816 ( 7.504 -7.343 -9.452) 14.127 8.837 ( -2.207 1.024 -9.049) 9.370 9.047 ( 5.392 -2.747 5.504) 8.180 9.147 ( -7.907 -0.512 -4.237) 8.986 9.228 ( 5.385 0.634 -9.173) 10.656 9.392 ( 1.506 2.641 6.871) 7.513 9.448 ( 2.776 -0.901 -1.997) 3.537 9.654 ( 10.649 -3.672 4.453) 12.113 9.877 ( -0.498 -0.066 12.247) 12.257 9.900 ( -1.526 -0.714 5.651) 5.897 10.021 ( -2.779 0.553 3.221) 4.289 10.057 ( -1.380 0.908 8.122) 8.288 10.207 ( 1.664 -0.119 -0.990) 1.940 10.281 ( 2.020 0.775 0.012) 2.164 10.457 ( 4.447 7.241 -3.852) 9.330 10.634 ( 5.678 -6.080 -5.068) 9.741 10.698 ( -5.385 1.460 -8.270) 9.976 10.854 ( -3.709 0.425 -7.922) 8.758 10.880 ( 2.005 0.032 -11.601) 11.773 11.060 ( -6.618 -0.302 3.403) 7.448 11.156 ( -7.698 7.859 -4.557) 11.908 11.273 ( 4.120 1.129 -0.599) 4.314 11.314 ( 0.418 -2.175 -0.377) 2.246 11.432 ( 4.162 0.623 -0.225) 4.214 11.501 ( -6.029 0.203 3.584) 7.017 11.548 ( -3.773 -1.337 5.659) 6.931 11.802 ( -5.014 1.465 7.639) 9.255 11.865 ( 3.909 -1.125 1.126) 4.220 11.909 ( -7.093 -5.022 1.797) 8.875 11.943 ( 2.588 -2.198 11.857) 12.333 12.246 ( 7.981 6.080 3.477) 10.618 12.325 ( 1.417 0.844 7.374) 7.557 12.384 ( 4.933 6.796 -1.129) 8.474 12.543 ( -2.979 0.207 -3.819) 4.847 12.664 ( 3.848 -11.786 3.737) 12.949 12.809 ( -1.369 5.755 2.113) 6.282 12.940 ( 1.191 0.212 1.342) 1.806 12.954 ( 1.821 1.569 -3.850) 4.539 13.117 ( -5.184 3.568 -0.412) 6.306 13.172 ( -0.271 2.284 0.212) 2.310 13.289 ( -7.554 0.982 -0.962) 7.678 13.402 ( -7.489 -7.463 -2.400) 10.842 13.550 ( 1.134 3.107 1.816) 3.773 13.743 ( 3.813 -4.660 9.588) 11.322 13.886 ( 1.830 2.502 -3.556) 4.717 14.032 ( 0.667 -9.759 8.575) 13.009 14.367 ( -13.942 3.238 9.869) 17.386 14.427 ( -12.635 -3.595 7.513) 15.133 15.528 ( 5.580 0.935 -16.707) 17.639 15.569 ( 3.039 -4.440 -18.709) 19.467 16.361 ( 2.254 6.770 7.588) 10.416 16.558 ( -3.654 -11.236 6.369) 13.423 16.637 ( 3.629 6.232 8.540) 11.178 16.854 ( -1.183 -4.669 9.558) 10.703 17.105 ( -0.396 5.919 -9.934) 11.571 17.232 ( -3.793 -5.191 -8.361) 10.547 17.600 ( 2.907 7.739 -10.371) 13.262 17.783 ( -2.098 -7.894 -9.688) 12.671 18.271 ( 5.561 0.750 3.791) 6.772 18.300 ( 5.687 -2.117 4.386) 7.487 18.535 ( 6.241 0.185 1.191) 6.356 18.613 ( 7.742 2.458 -0.008) 8.123 18.864 ( -2.237 2.699 -3.999) 5.318 18.914 ( -3.212 0.264 -0.294) 3.236 18.962 ( -1.671 3.483 -1.187) 4.042 19.017 ( -0.860 -0.901 -1.065) 1.639 19.231 ( 0.776 1.029 -12.615) 12.681 19.339 ( 1.640 -3.080 -7.410) 8.190 19.383 ( -1.177 0.067 -0.512) 1.286 19.455 ( 3.265 -1.145 -18.440) 18.762 19.651 ( -2.569 5.734 -5.701) 8.484 19.782 ( 0.101 -0.039 -1.662) 1.666 19.861 ( -3.069 -3.755 -2.480) 5.447 19.983 ( 2.426 0.770 6.107) 6.617 20.132 ( -1.469 -0.658 8.051) 8.210 20.153 ( -2.295 -2.343 7.833) 8.492 20.275 ( -0.374 0.574 5.513) 5.555 20.365 ( -1.630 -0.642 4.448) 4.781 20.568 ( 4.318 -0.789 -2.014) 4.829 20.702 ( 1.070 -0.333 2.868) 3.079 20.724 ( -0.176 -0.702 -5.414) 5.462 20.794 ( 0.847 0.809 -1.722) 2.083 20.849 ( -0.777 -0.110 -0.747) 1.083 20.873 ( -1.288 -2.540 -3.491) 4.505 20.964 ( -0.433 0.022 1.346) 1.414 20.981 ( -1.213 -0.976 0.827) 1.763 21.278 ( 0.119 3.629 11.538) 12.096 21.343 ( -1.154 -2.280 11.861) 12.133 21.669 ( -1.527 3.782 0.295) 4.090 21.723 ( -1.977 -0.417 -2.243) 3.019 28.042 ( 1.465 2.348 1.612) 3.203 28.103 ( 0.418 -2.021 2.270) 3.068 28.196 ( -1.114 0.145 -0.902) 1.441 28.231 ( -1.090 0.845 -0.954) 1.677 28.310 ( -0.151 1.089 -0.596) 1.250 28.315 ( -0.109 0.318 -0.127) 0.359 28.398 ( 1.542 -1.428 -2.173) 3.023 28.434 ( 0.731 -0.744 -0.585) 1.196 36.965 ( 7.324 1.770 4.905) 8.991 37.015 ( 6.796 0.508 4.533) 8.185 37.089 ( 2.284 0.907 0.505) 2.508 37.203 ( 1.890 0.426 4.535) 4.932 37.336 ( 7.363 8.166 -1.557) 11.105 37.400 ( 2.301 6.220 -0.805) 6.680 37.542 ( 3.344 -5.741 0.467) 6.661 37.578 ( 4.806 -3.248 0.964) 5.880 37.680 ( -1.800 -0.684 8.714) 8.924 37.754 ( -0.324 -0.890 10.261) 10.305 38.348 ( -1.058 10.362 0.515) 10.428 38.581 ( -3.938 -9.501 -3.109) 10.744 38.870 ( -10.725 9.375 -5.612) 15.310 39.007 ( -17.508 5.548 -1.110) 18.399 39.215 ( -17.991 -11.452 -4.371) 21.770 39.281 ( -17.035 -8.834 -1.756) 19.269 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 13.072 4.187 9.588) 16.744 1.513 ( -6.512 -15.728 6.450) 18.204 1.786 ( 5.538 2.027 8.543) 10.381 1.867 ( -0.772 0.785 8.065) 8.140 1.913 ( 1.727 5.158 -3.127) 6.275 1.964 ( -0.709 2.645 -0.231) 2.748 1.999 ( 2.341 0.927 0.110) 2.521 2.071 ( -1.184 -0.850 -1.607) 2.170 2.108 ( 4.535 3.741 -0.983) 5.960 2.137 ( -0.599 0.021 -2.325) 2.401 2.199 ( 1.080 1.056 -2.188) 2.659 2.224 ( -2.406 2.947 -2.263) 4.426 2.270 ( -0.240 2.633 0.310) 2.662 2.303 ( -2.056 -3.750 -1.592) 4.563 2.352 ( -3.652 -2.682 -0.204) 4.536 2.392 ( -6.762 -2.067 -0.817) 7.118 2.490 ( 1.592 0.454 7.634) 7.811 2.548 ( -3.751 -3.574 7.593) 9.193 2.775 ( 2.150 2.871 1.119) 3.757 2.825 ( -2.374 2.391 2.083) 3.961 2.906 ( 1.553 -1.734 2.418) 3.356 2.927 ( -0.365 -3.170 2.902) 4.313 3.230 ( 2.358 -0.486 -6.674) 7.095 3.261 ( -0.395 -2.400 -6.173) 6.635 4.066 ( 2.280 2.155 4.519) 5.501 4.109 ( -1.782 0.357 6.079) 6.345 4.406 ( 5.088 3.069 -2.362) 6.395 4.457 ( 0.644 1.590 -1.868) 2.537 4.595 ( 4.228 -2.526 0.809) 4.991 4.634 ( 0.428 -5.815 0.977) 5.912 4.965 ( 2.711 -1.724 3.414) 4.689 5.014 ( -2.029 -3.247 3.562) 5.230 5.315 ( 1.816 -0.635 -3.088) 3.638 5.354 ( -1.006 -1.749 -5.903) 6.238 5.750 ( 0.889 1.164 5.469) 5.661 5.773 ( -1.409 -0.291 5.838) 6.013 5.984 ( 2.960 2.986 5.513) 6.933 6.016 ( 0.008 1.510 6.542) 6.714 6.186 ( 4.609 0.446 -0.994) 4.736 6.284 ( -4.855 -4.945 -0.719) 6.967 6.536 ( 2.899 -1.632 1.289) 3.567 6.616 ( -4.594 -2.647 4.194) 6.760 6.857 ( 7.643 1.538 -1.550) 7.948 7.037 ( -9.683 1.628 5.784) 11.396 7.370 ( 3.239 8.356 3.909) 9.777 7.462 ( -5.364 1.386 3.123) 6.360 7.926 ( 4.652 -2.023 -12.832) 13.798 8.003 ( -0.325 7.489 -12.219) 14.335 8.111 ( 0.680 0.408 -1.073) 1.335 8.169 ( -3.455 -1.008 -15.342) 15.759 8.240 ( 6.058 2.548 -4.013) 7.700 8.373 ( -4.810 2.327 -5.731) 7.836 8.661 ( 0.823 4.705 -2.598) 5.437 8.722 ( -4.434 3.831 -6.019) 8.400 8.824 ( 3.822 -5.776 -11.031) 13.025 8.929 ( -4.628 -2.156 -7.886) 9.394 9.100 ( 7.518 -5.612 1.516) 9.503 9.164 ( 3.698 -2.864 6.301) 7.848 9.297 ( 0.915 -0.936 -4.708) 4.887 9.342 ( -4.219 -2.974 0.018) 5.162 9.602 ( 9.973 2.120 3.444) 10.761 9.790 ( -4.718 0.049 8.218) 9.476 9.850 ( 0.544 0.111 6.107) 6.132 9.874 ( -1.416 -1.074 6.091) 6.345 9.936 ( 2.354 0.648 6.198) 6.662 10.026 ( -3.354 2.453 8.941) 9.860 10.341 ( 6.405 -0.844 -3.025) 7.134 10.347 ( 6.917 -2.078 -1.303) 7.339 10.527 ( -4.586 0.122 -0.633) 4.631 10.594 ( -0.625 2.867 -2.277) 3.714 10.701 ( 1.086 2.266 -2.746) 3.722 10.805 ( -0.223 1.820 -5.742) 6.028 10.897 ( -5.508 0.575 -7.147) 9.042 10.912 ( -3.257 4.600 -7.899) 9.704 11.043 ( 3.059 -7.343 -7.494) 10.929 11.214 ( -9.330 -10.396 -5.791) 15.121 11.392 ( 4.314 1.686 3.154) 5.604 11.446 ( -1.849 0.987 4.978) 5.402 11.475 ( 4.979 1.923 4.733) 7.134 11.568 ( 4.446 -2.382 6.588) 8.298 11.664 ( -9.089 -3.578 4.313) 10.678 11.699 ( -7.259 -1.640 9.954) 12.428 12.016 ( 6.541 2.951 1.463) 7.324 12.053 ( 4.250 2.179 6.260) 7.874 12.300 ( 0.496 5.713 0.995) 5.820 12.378 ( -5.450 4.792 -5.806) 9.294 12.467 ( 9.481 6.373 2.712) 11.741 12.562 ( 3.028 5.266 -0.015) 6.074 12.691 ( -0.912 -0.246 -0.871) 1.285 12.745 ( -4.070 2.806 1.601) 5.196 12.957 ( 0.735 -1.181 1.045) 1.740 13.008 ( -4.529 2.567 1.274) 5.359 13.049 ( 6.157 -5.311 -5.407) 9.765 13.124 ( -1.633 -3.769 -2.539) 4.829 13.175 ( -3.338 -1.927 -0.552) 3.894 13.247 ( -7.662 -5.494 -2.499) 9.754 13.642 ( 6.531 3.333 3.418) 8.090 13.755 ( -3.214 -0.123 4.366) 5.423 13.921 ( 3.864 2.093 -0.839) 4.473 14.038 ( -3.428 -4.743 5.774) 8.222 14.165 ( -3.053 -3.284 14.447) 15.127 14.228 ( -6.554 -5.877 14.676) 17.114 15.599 ( 1.761 -0.262 -19.368) 19.450 15.608 ( 0.810 -1.999 -19.805) 19.922 16.417 ( 3.109 -0.898 8.566) 9.157 16.485 ( -3.483 -7.299 8.057) 11.416 16.721 ( 4.331 2.444 9.107) 10.377 16.804 ( -3.526 -0.942 9.769) 10.429 17.117 ( 1.502 2.057 -8.155) 8.543 17.162 ( -2.902 -1.683 -7.620) 8.326 17.667 ( 3.414 3.842 -9.534) 10.831 17.732 ( -2.884 -1.289 -9.097) 9.630 18.370 ( 3.435 0.123 3.571) 4.956 18.387 ( 2.045 -1.487 3.821) 4.582 18.650 ( 4.916 0.628 1.881) 5.301 18.707 ( 0.595 1.923 1.950) 2.803 18.830 ( -0.670 1.862 -2.713) 3.359 18.852 ( -2.535 0.789 -0.297) 2.672 18.951 ( 1.149 3.709 -0.317) 3.895 18.991 ( -1.896 1.374 0.097) 2.344 19.262 ( 2.003 0.014 -13.077) 13.229 19.305 ( -2.219 -2.516 -11.166) 11.659 19.432 ( 3.402 2.928 -2.024) 4.924 19.499 ( -1.294 0.744 -1.874) 2.396 19.601 ( 1.724 -0.091 -9.570) 9.725 19.704 ( -5.989 -6.691 -4.087) 9.867 19.926 ( 5.836 0.169 -7.274) 9.327 20.005 ( -0.911 1.026 1.589) 2.099 20.099 ( -1.258 -1.252 6.912) 7.136 20.107 ( -1.913 -1.986 6.660) 7.208 20.281 ( 1.146 0.952 4.004) 4.272 20.320 ( -2.418 0.260 3.728) 4.451 20.652 ( 3.502 -1.318 -1.702) 4.111 20.701 ( -1.239 -0.997 -0.000) 1.591 20.739 ( 1.953 -0.638 -6.824) 7.127 20.787 ( -1.791 -0.442 -4.299) 4.678 20.838 ( -0.255 -0.048 -0.468) 0.535 20.844 ( -1.007 -0.601 -2.020) 2.336 20.960 ( 0.029 -0.327 2.455) 2.477 20.965 ( -0.457 -0.774 2.141) 2.322 21.289 ( 1.005 1.665 12.926) 13.071 21.316 ( -1.474 -0.752 12.870) 12.976 21.656 ( 0.318 3.561 0.481) 3.608 21.680 ( -1.904 1.471 -0.390) 2.437 28.072 ( 1.458 1.226 1.111) 2.205 28.098 ( -0.904 -0.147 1.283) 1.576 28.190 ( 0.532 -0.337 -0.091) 0.636 28.209 ( -1.109 0.127 -0.192) 1.133 28.309 ( 0.094 0.878 -0.922) 1.277 28.312 ( -0.221 0.590 -0.216) 0.666 28.426 ( 1.066 -0.801 -1.546) 2.042 28.439 ( -0.228 -0.631 -0.969) 1.178 37.079 ( 3.370 0.614 4.994) 6.056 37.112 ( -0.105 0.341 3.449) 3.467 37.143 ( 5.181 1.076 4.834) 7.167 37.209 ( -1.269 0.288 6.023) 6.162 37.476 ( 4.942 5.887 -1.121) 7.768 37.509 ( 7.561 7.068 -2.794) 10.721 37.563 ( -1.372 1.064 0.376) 1.776 37.629 ( -3.230 1.787 0.893) 3.798 37.674 ( 3.751 -0.459 5.902) 7.008 37.736 ( -1.981 0.922 7.879) 8.177 38.406 ( 7.148 0.045 -1.859) 7.386 38.529 ( -1.143 -7.421 2.188) 7.820 38.631 ( -8.758 -0.103 -10.498) 13.672 38.732 ( -12.915 -0.880 -3.010) 13.290 38.920 ( -5.129 -1.236 -1.510) 5.488 38.996 ( -10.233 -5.537 -2.271) 11.854 ======================= Grid point 70 (25/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 0.000 19.996) 19.996 1.226 ( 0.000 0.000 23.552) 23.552 1.445 ( 0.000 0.000 -11.678) 11.678 1.615 ( 0.000 0.000 -11.811) 11.811 1.690 ( 0.000 0.000 2.825) 2.825 1.738 ( 0.000 0.000 -1.281) 1.281 1.850 ( 0.000 0.000 2.826) 2.826 1.922 ( 0.000 0.000 -3.766) 3.766 2.125 ( 0.000 0.000 0.582) 0.582 2.136 ( 0.000 0.000 -1.103) 1.103 2.152 ( 0.000 0.000 6.107) 6.107 2.267 ( 0.000 0.000 22.705) 22.705 2.297 ( 0.000 0.000 -7.145) 7.145 2.538 ( 0.000 0.000 -4.478) 4.478 2.657 ( 0.000 0.000 1.967) 1.967 2.673 ( 0.000 0.000 0.239) 0.239 2.723 ( 0.000 0.000 6.237) 6.237 2.780 ( 0.000 0.000 0.145) 0.145 2.918 ( 0.000 0.000 0.265) 0.265 2.919 ( 0.000 0.000 4.001) 4.001 2.956 ( 0.000 0.000 -4.594) 4.594 2.994 ( 0.000 0.000 -3.374) 3.374 3.120 ( 0.000 0.000 4.328) 4.328 3.247 ( 0.000 0.000 -7.196) 7.196 3.770 ( 0.000 0.000 10.568) 10.568 3.896 ( 0.000 0.000 5.730) 5.730 4.020 ( 0.000 0.000 -4.153) 4.153 4.053 ( 0.000 0.000 -15.452) 15.452 4.479 ( 0.000 0.000 10.314) 10.314 4.486 ( 0.000 0.000 1.381) 1.381 4.597 ( 0.000 0.000 -8.896) 8.896 4.671 ( 0.000 0.000 -7.926) 7.926 5.265 ( 0.000 0.000 4.412) 4.412 5.389 ( 0.000 0.000 -7.254) 7.254 5.686 ( 0.000 0.000 26.068) 26.068 5.825 ( 0.000 0.000 8.055) 8.055 5.952 ( 0.000 0.000 -3.232) 3.232 6.076 ( 0.000 0.000 6.550) 6.550 6.124 ( 0.000 0.000 -5.222) 5.222 6.271 ( 0.000 0.000 -19.366) 19.366 6.292 ( 0.000 0.000 28.164) 28.164 7.032 ( 0.000 0.000 -38.528) 38.528 7.334 ( 0.000 0.000 9.613) 9.613 7.538 ( 0.000 0.000 -6.776) 6.776 7.629 ( 0.000 0.000 2.034) 2.034 7.672 ( 0.000 0.000 -3.676) 3.676 7.748 ( 0.000 0.000 5.215) 5.215 7.909 ( 0.000 0.000 -7.136) 7.136 8.103 ( 0.000 0.000 -0.087) 0.087 8.138 ( 0.000 0.000 -4.173) 4.173 8.149 ( 0.000 0.000 -0.660) 0.660 8.187 ( 0.000 0.000 -3.627) 3.627 8.560 ( 0.000 0.000 5.215) 5.215 8.684 ( 0.000 0.000 -4.311) 4.311 8.735 ( 0.000 0.000 5.687) 5.687 8.796 ( 0.000 0.000 0.630) 0.630 8.954 ( 0.000 0.000 2.600) 2.600 9.017 ( 0.000 0.000 -2.031) 2.031 9.067 ( 0.000 0.000 -7.036) 7.036 9.119 ( 0.000 0.000 -12.909) 12.909 9.669 ( 0.000 0.000 14.626) 14.626 9.811 ( 0.000 0.000 9.910) 9.910 9.953 ( 0.000 0.000 -2.547) 2.547 9.966 ( 0.000 0.000 -11.429) 11.429 9.976 ( 0.000 0.000 15.253) 15.253 10.201 ( 0.000 0.000 16.358) 16.358 10.253 ( 0.000 0.000 11.789) 11.789 10.254 ( 0.000 0.000 -6.168) 6.168 10.529 ( 0.000 0.000 1.592) 1.592 10.576 ( 0.000 0.000 -9.918) 9.918 10.585 ( 0.000 0.000 -9.264) 9.264 10.701 ( 0.000 0.000 -9.300) 9.300 10.761 ( 0.000 0.000 3.962) 3.962 10.846 ( 0.000 0.000 9.389) 9.389 10.935 ( 0.000 0.000 -12.312) 12.312 10.982 ( 0.000 0.000 4.897) 4.897 11.164 ( 0.000 0.000 -11.865) 11.865 11.190 ( 0.000 0.000 -7.478) 7.478 11.537 ( 0.000 0.000 10.343) 10.343 11.741 ( 0.000 0.000 -8.296) 8.296 11.843 ( 0.000 0.000 3.556) 3.556 11.905 ( 0.000 0.000 -3.576) 3.576 11.934 ( 0.000 0.000 8.940) 8.940 12.030 ( 0.000 0.000 0.035) 0.035 12.369 ( 0.000 0.000 2.365) 2.365 12.429 ( 0.000 0.000 2.297) 2.297 12.497 ( 0.000 0.000 -3.047) 3.047 12.523 ( 0.000 0.000 -11.149) 11.149 12.753 ( 0.000 0.000 4.160) 4.160 12.787 ( 0.000 0.000 0.816) 0.816 12.986 ( 0.000 0.000 12.978) 12.978 13.137 ( 0.000 0.000 1.312) 1.312 13.269 ( 0.000 0.000 7.274) 7.274 13.270 ( 0.000 0.000 14.858) 14.858 13.423 ( 0.000 0.000 6.143) 6.143 13.533 ( 0.000 0.000 -5.335) 5.335 13.568 ( 0.000 0.000 -7.152) 7.152 13.833 ( 0.000 0.000 0.599) 0.599 13.852 ( 0.000 0.000 -19.791) 19.791 13.931 ( 0.000 0.000 -11.690) 11.690 14.842 ( 0.000 0.000 7.881) 7.881 14.891 ( 0.000 0.000 4.053) 4.053 14.972 ( 0.000 0.000 15.942) 15.942 15.337 ( 0.000 0.000 -17.089) 17.089 16.217 ( 0.000 0.000 13.803) 13.803 16.525 ( 0.000 0.000 -9.963) 9.963 16.538 ( 0.000 0.000 14.621) 14.621 16.955 ( 0.000 0.000 -19.072) 19.072 17.062 ( 0.000 0.000 6.600) 6.600 17.193 ( 0.000 0.000 -2.527) 2.527 17.535 ( 0.000 0.000 8.371) 8.371 17.864 ( 0.000 0.000 -18.316) 18.316 18.197 ( 0.000 0.000 4.507) 4.507 18.271 ( 0.000 0.000 3.954) 3.954 18.315 ( 0.000 0.000 -0.392) 0.392 18.322 ( 0.000 0.000 -7.365) 7.365 18.699 ( 0.000 0.000 -0.467) 0.467 18.749 ( 0.000 0.000 -5.237) 5.237 19.022 ( 0.000 0.000 2.129) 2.129 19.077 ( 0.000 0.000 -2.598) 2.598 19.201 ( 0.000 0.000 4.114) 4.114 19.249 ( 0.000 0.000 0.380) 0.380 19.294 ( 0.000 0.000 -4.932) 4.932 19.320 ( 0.000 0.000 -7.085) 7.085 19.528 ( 0.000 0.000 4.194) 4.194 19.616 ( 0.000 0.000 -3.653) 3.653 20.123 ( 0.000 0.000 2.970) 2.970 20.137 ( 0.000 0.000 3.855) 3.855 20.298 ( 0.000 0.000 9.414) 9.414 20.305 ( 0.000 0.000 -1.468) 1.468 20.355 ( 0.000 0.000 -4.372) 4.372 20.460 ( 0.000 0.000 -5.134) 5.134 20.585 ( 0.000 0.000 4.387) 4.387 20.625 ( 0.000 0.000 -0.453) 0.453 20.708 ( 0.000 0.000 4.107) 4.107 20.794 ( 0.000 0.000 -3.769) 3.769 20.877 ( 0.000 0.000 1.509) 1.509 20.950 ( 0.000 0.000 -3.291) 3.291 21.094 ( 0.000 0.000 0.553) 0.553 21.094 ( 0.000 0.000 0.580) 0.580 21.294 ( 0.000 0.000 0.914) 0.914 21.294 ( 0.000 0.000 0.963) 0.963 21.649 ( 0.000 0.000 6.489) 6.489 21.710 ( 0.000 0.000 0.280) 0.280 27.988 ( 0.000 0.000 3.999) 3.999 28.075 ( 0.000 0.000 -3.998) 3.998 28.257 ( 0.000 0.000 4.620) 4.620 28.264 ( 0.000 0.000 0.213) 0.213 28.271 ( 0.000 0.000 -0.442) 0.442 28.354 ( 0.000 0.000 2.425) 2.425 28.357 ( 0.000 0.000 -4.523) 4.523 28.408 ( 0.000 0.000 -2.547) 2.547 36.756 ( 0.000 0.000 0.920) 0.920 36.777 ( 0.000 0.000 -1.067) 1.067 36.944 ( 0.000 0.000 5.194) 5.194 37.028 ( 0.000 0.000 -2.543) 2.543 37.269 ( 0.000 0.000 3.751) 3.751 37.383 ( 0.000 0.000 -6.633) 6.633 37.507 ( 0.000 0.000 10.453) 10.453 37.663 ( 0.000 0.000 -3.267) 3.267 37.806 ( 0.000 0.000 1.136) 1.136 37.890 ( 0.000 0.000 -7.231) 7.231 37.995 ( 0.000 0.000 12.743) 12.743 38.267 ( 0.000 0.000 -12.010) 12.010 39.414 ( 0.000 0.000 12.721) 12.721 39.686 ( 0.000 0.000 -12.327) 12.327 40.153 ( 0.000 0.000 1.780) 1.780 40.195 ( 0.000 0.000 -2.006) 2.006 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.708 0.000 17.740) 18.636 1.328 ( 9.051 0.000 19.271) 21.290 1.488 ( 3.286 0.000 -11.075) 11.552 1.652 ( 2.957 0.000 -8.655) 9.146 1.696 ( 1.933 0.000 2.266) 2.979 1.740 ( 1.906 0.000 -2.261) 2.957 1.873 ( 2.513 0.000 2.358) 3.447 1.937 ( 1.465 0.000 -3.412) 3.713 2.117 ( -0.106 0.000 1.757) 1.760 2.135 ( -0.248 0.000 0.401) 0.471 2.160 ( 0.943 0.000 4.236) 4.340 2.259 ( -0.132 0.000 5.504) 5.505 2.333 ( 2.163 0.000 6.518) 6.868 2.508 ( -3.589 0.000 -2.345) 4.287 2.645 ( -3.146 0.000 2.053) 3.757 2.665 ( -0.673 0.000 -1.031) 1.231 2.671 ( -3.989 0.000 3.882) 5.566 2.740 ( -5.533 0.000 -1.638) 5.771 2.829 ( -3.841 0.000 2.819) 4.764 2.890 ( -5.077 0.000 -3.774) 6.326 2.945 ( 1.596 0.000 3.487) 3.835 3.023 ( 2.114 0.000 -4.069) 4.585 3.154 ( 1.869 0.000 3.228) 3.730 3.250 ( 0.618 0.000 -6.124) 6.155 3.829 ( 4.362 0.000 7.112) 8.343 4.022 ( 2.566 0.000 -8.379) 8.763 4.104 ( 16.575 0.000 2.798) 16.810 4.205 ( 9.685 0.000 -6.829) 11.850 4.416 ( -2.872 0.000 9.233) 9.669 4.551 ( 6.252 0.000 -3.252) 7.047 4.715 ( 4.792 0.000 -5.577) 7.353 4.722 ( 8.617 0.000 -5.798) 10.386 5.297 ( 3.983 0.000 2.959) 4.962 5.407 ( 2.038 0.000 -7.148) 7.433 5.742 ( 4.843 0.000 26.358) 26.799 5.848 ( 2.596 0.000 8.760) 9.137 5.972 ( 2.020 0.000 -2.618) 3.307 6.066 ( -0.873 0.000 6.798) 6.853 6.138 ( 1.051 0.000 -3.243) 3.409 6.288 ( -0.369 0.000 29.353) 29.356 6.310 ( 3.614 0.000 -21.050) 21.357 7.021 ( -2.230 0.000 -34.484) 34.556 7.251 ( -9.120 0.000 5.075) 10.437 7.384 ( -13.197 0.000 -10.005) 16.561 7.523 ( -6.986 0.000 7.317) 10.117 7.616 ( -6.888 0.000 3.304) 7.640 7.749 ( 1.461 0.000 -4.592) 4.819 7.829 ( -6.692 0.000 -7.733) 10.227 8.008 ( -4.489 0.000 2.200) 4.999 8.070 ( -0.023 0.000 -1.799) 1.799 8.235 ( -0.976 0.000 1.866) 2.106 8.243 ( 2.821 0.000 0.210) 2.828 8.599 ( 4.584 0.000 -2.110) 5.046 8.612 ( -4.114 0.000 -2.378) 4.752 8.786 ( -3.236 0.000 9.493) 10.029 8.877 ( 6.728 0.000 0.205) 6.731 8.956 ( 5.432 0.000 -6.963) 8.831 9.011 ( -5.185 0.000 -9.203) 10.563 9.093 ( 6.462 0.000 -0.410) 6.475 9.165 ( 4.480 0.000 -9.803) 10.778 9.690 ( 1.454 0.000 13.718) 13.795 9.811 ( -0.063 0.000 8.196) 8.197 9.929 ( -1.437 0.000 -2.486) 2.871 9.957 ( -2.939 0.000 -7.848) 8.380 10.006 ( 2.612 0.000 12.852) 13.115 10.118 ( -2.669 0.000 5.148) 5.798 10.242 ( -1.603 0.000 9.094) 9.234 10.367 ( 4.736 0.000 -7.539) 8.903 10.442 ( -7.070 0.000 -1.947) 7.333 10.548 ( -1.188 0.000 -6.488) 6.596 10.615 ( 6.850 0.000 7.863) 10.428 10.723 ( -2.717 0.000 1.892) 3.311 10.802 ( 3.367 0.000 -3.717) 5.015 10.861 ( -0.443 0.000 -10.637) 10.646 10.876 ( 3.191 0.000 7.420) 8.077 11.088 ( 4.007 0.000 -7.404) 8.419 11.171 ( 3.461 0.000 -4.662) 5.806 11.239 ( 3.933 0.000 -5.244) 6.555 11.598 ( 5.563 0.000 10.102) 11.533 11.776 ( -4.451 0.000 2.874) 5.298 11.787 ( 3.770 0.000 -6.325) 7.363 11.793 ( -4.462 0.000 1.693) 4.773 12.097 ( 6.264 0.000 1.182) 6.374 12.112 ( 2.839 0.000 0.280) 2.852 12.338 ( -1.323 0.000 4.518) 4.707 12.395 ( -3.013 0.000 2.893) 4.177 12.464 ( -2.975 0.000 -5.480) 6.235 12.476 ( -1.533 0.000 -3.372) 3.704 12.688 ( -6.302 0.000 7.002) 9.420 12.787 ( -0.741 0.000 -4.142) 4.208 12.985 ( 0.330 0.000 8.860) 8.866 13.094 ( -6.087 0.000 0.820) 6.142 13.126 ( -3.291 0.000 8.046) 8.693 13.298 ( -10.535 0.000 0.484) 10.546 13.388 ( 3.597 0.000 7.618) 8.425 13.411 ( -1.714 0.000 -2.978) 3.436 13.652 ( -0.231 0.000 2.646) 2.656 13.774 ( -3.936 0.000 -4.792) 6.202 13.943 ( 7.124 0.000 -6.178) 9.430 14.123 ( 12.615 0.000 -18.476) 22.372 14.783 ( -5.361 0.000 8.037) 9.661 14.867 ( -0.765 0.000 -0.709) 1.043 14.963 ( -1.131 0.000 16.388) 16.427 15.344 ( 0.257 0.000 -18.376) 18.377 16.293 ( 7.169 0.000 13.155) 14.981 16.575 ( 3.844 0.000 -0.228) 3.851 16.589 ( 5.763 0.000 5.409) 7.904 16.989 ( 3.287 0.000 -18.219) 18.513 17.039 ( -2.027 0.000 5.176) 5.559 17.154 ( -3.507 0.000 -2.517) 4.317 17.482 ( -4.895 0.000 9.258) 10.472 17.816 ( -4.817 0.000 -18.358) 18.979 18.243 ( 4.295 0.000 4.965) 6.565 18.345 ( 3.771 0.000 -0.558) 3.812 18.349 ( 6.780 0.000 2.674) 7.288 18.394 ( 5.135 0.000 -5.874) 7.802 18.687 ( -0.684 0.000 -1.098) 1.293 18.729 ( -1.439 0.000 -5.243) 5.437 19.019 ( -0.553 0.000 2.497) 2.557 19.070 ( -0.846 0.000 -2.044) 2.212 19.154 ( -5.023 0.000 -1.677) 5.295 19.165 ( -2.426 0.000 -1.981) 3.132 19.379 ( 7.032 0.000 0.522) 7.051 19.442 ( 0.739 0.000 -0.618) 0.963 19.478 ( 2.349 0.000 0.643) 2.435 19.579 ( -3.626 0.000 -4.880) 6.080 20.072 ( -3.597 0.000 3.837) 5.259 20.105 ( -3.566 0.000 2.522) 4.368 20.269 ( -0.908 0.000 5.312) 5.389 20.307 ( -0.450 0.000 2.890) 2.925 20.345 ( -0.585 0.000 -3.528) 3.576 20.428 ( -2.916 0.000 -3.531) 4.579 20.572 ( 0.684 0.000 4.236) 4.290 20.642 ( 1.130 0.000 -1.821) 2.143 20.771 ( 3.069 0.000 1.870) 3.594 20.796 ( 0.138 0.000 -1.526) 1.532 20.876 ( -0.191 0.000 0.869) 0.890 20.941 ( -0.779 0.000 -3.201) 3.295 21.067 ( -2.572 0.000 1.274) 2.870 21.088 ( -0.795 0.000 -0.228) 0.827 21.302 ( 1.014 0.000 2.113) 2.344 21.323 ( 2.637 0.000 0.551) 2.694 21.657 ( 0.352 0.000 3.637) 3.654 21.684 ( -2.526 0.000 1.331) 2.855 27.998 ( 0.999 0.000 3.839) 3.966 28.082 ( 0.706 0.000 -3.881) 3.945 28.228 ( -2.293 0.000 1.600) 2.796 28.251 ( -1.733 0.000 -1.001) 2.001 28.274 ( 0.816 0.000 3.326) 3.425 28.362 ( 0.509 0.000 2.509) 2.561 28.364 ( 0.606 0.000 -4.268) 4.311 28.415 ( 0.541 0.000 -2.417) 2.477 36.813 ( 5.466 0.000 0.500) 5.489 36.821 ( 4.496 0.000 -0.166) 4.499 36.992 ( 4.157 0.000 5.312) 6.745 37.075 ( 3.862 0.000 -2.378) 4.535 37.263 ( -0.539 0.000 3.538) 3.579 37.347 ( -2.391 0.000 -2.419) 3.401 37.584 ( 6.260 0.000 6.477) 9.008 37.685 ( 1.137 0.000 -1.399) 1.802 37.762 ( -4.184 0.000 1.421) 4.419 37.877 ( -0.140 0.000 -8.979) 8.980 38.008 ( 1.343 0.000 12.777) 12.847 38.283 ( 1.650 0.000 -12.187) 12.298 39.319 ( -9.129 0.000 11.906) 15.003 39.571 ( -10.961 0.000 -11.320) 15.757 39.812 ( -27.850 0.000 11.797) 30.246 39.981 ( -19.361 0.000 -5.350) 20.087 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 11.142 0.000 11.032) 15.679 1.536 ( 9.361 0.000 7.353) 11.904 1.572 ( 6.301 0.000 -5.159) 8.144 1.718 ( 3.231 0.000 -3.668) 4.888 1.779 ( 4.813 0.000 0.273) 4.820 1.797 ( 2.448 0.000 -0.888) 2.604 1.962 ( 5.725 0.000 -0.274) 5.731 1.988 ( 3.672 0.000 -2.554) 4.473 2.115 ( -2.092 0.000 2.400) 3.184 2.123 ( 0.397 0.000 2.887) 2.914 2.197 ( 2.595 0.000 2.497) 3.601 2.268 ( 0.432 0.000 -0.196) 0.475 2.304 ( -7.204 0.000 0.895) 7.260 2.374 ( -8.798 0.000 -2.348) 9.106 2.565 ( -0.497 0.000 7.903) 7.918 2.578 ( -7.740 0.000 0.149) 7.741 2.579 ( -5.566 0.000 -0.038) 5.566 2.664 ( 0.226 0.000 -1.143) 1.165 2.787 ( -1.662 0.000 0.926) 1.903 2.792 ( -4.117 0.000 0.119) 4.119 2.994 ( 3.083 0.000 3.695) 4.812 3.080 ( 3.481 0.000 -4.484) 5.676 3.169 ( -0.552 0.000 3.462) 3.506 3.262 ( -0.003 0.000 -5.679) 5.679 3.937 ( 6.121 0.000 6.529) 8.950 4.108 ( 5.322 0.000 -8.021) 9.626 4.271 ( -2.104 0.000 3.700) 4.256 4.331 ( 1.831 0.000 -3.277) 3.754 4.522 ( 13.057 0.000 6.777) 14.711 4.733 ( 10.454 0.000 -11.137) 15.275 4.861 ( 3.700 0.000 -1.093) 3.858 4.868 ( 8.875 0.000 -1.896) 9.075 5.466 ( 12.598 0.000 -1.269) 12.662 5.497 ( 7.781 0.000 -4.811) 9.148 5.843 ( 4.674 0.000 23.527) 23.986 5.943 ( 5.617 0.000 13.156) 14.305 6.027 ( 2.845 0.000 -0.893) 2.982 6.048 ( -0.338 0.000 7.306) 7.314 6.154 ( 0.473 0.000 -2.816) 2.855 6.268 ( -1.547 0.000 27.959) 28.002 6.406 ( 5.271 0.000 -20.615) 21.278 6.858 ( -14.708 0.000 -15.810) 21.593 6.981 ( -15.780 0.000 0.326) 15.783 7.080 ( -14.421 0.000 -12.383) 19.008 7.421 ( -2.944 0.000 7.749) 8.289 7.524 ( -0.636 0.000 -5.973) 6.006 7.681 ( -7.383 0.000 -4.334) 8.561 7.731 ( -3.092 0.000 -12.210) 12.595 8.012 ( 4.140 0.000 9.861) 10.695 8.082 ( 0.587 0.000 0.799) 0.991 8.165 ( -4.270 0.000 5.438) 6.914 8.262 ( -0.845 0.000 0.203) 0.869 8.522 ( -4.458 0.000 -2.212) 4.976 8.635 ( -8.675 0.000 8.002) 11.802 8.676 ( 2.016 0.000 -12.412) 12.574 8.883 ( -6.540 0.000 -12.911) 14.473 9.078 ( 13.178 0.000 0.341) 13.183 9.156 ( 12.247 0.000 -7.035) 14.124 9.251 ( 8.607 0.000 0.403) 8.617 9.282 ( 6.493 0.000 -4.313) 7.795 9.666 ( -4.345 0.000 9.190) 10.165 9.829 ( -7.066 0.000 -3.906) 8.074 9.836 ( 1.443 0.000 4.617) 4.838 9.895 ( -4.255 0.000 -0.938) 4.357 10.014 ( -2.969 0.000 5.112) 5.911 10.118 ( 2.268 0.000 -4.264) 4.830 10.222 ( 1.623 0.000 11.587) 11.700 10.363 ( -1.414 0.000 4.664) 4.874 10.414 ( 0.790 0.000 -5.806) 5.860 10.495 ( -4.001 0.000 -6.652) 7.763 10.586 ( -5.709 0.000 -0.085) 5.710 10.710 ( -6.274 0.000 -8.207) 10.331 10.909 ( 14.555 0.000 9.942) 17.627 10.989 ( 8.289 0.000 3.719) 9.086 11.045 ( 12.438 0.000 -2.365) 12.661 11.131 ( 2.602 0.000 -8.088) 8.496 11.306 ( 6.658 0.000 -1.545) 6.835 11.324 ( 4.116 0.000 -1.458) 4.366 11.659 ( -6.825 0.000 4.041) 7.932 11.699 ( -0.881 0.000 3.722) 3.824 11.745 ( 3.248 0.000 4.059) 5.198 11.879 ( 4.523 0.000 -5.273) 6.947 12.078 ( -5.643 0.000 -1.369) 5.807 12.083 ( -3.048 0.000 -0.912) 3.182 12.263 ( -7.601 0.000 1.580) 7.763 12.275 ( -6.812 0.000 1.952) 7.086 12.498 ( -2.977 0.000 8.685) 9.181 12.530 ( -1.247 0.000 5.486) 5.625 12.530 ( 3.088 0.000 4.753) 5.668 12.729 ( -3.388 0.000 -10.284) 10.828 12.984 ( -3.634 0.000 3.089) 4.770 12.992 ( -3.844 0.000 1.149) 4.012 13.099 ( 1.795 0.000 2.435) 3.025 13.128 ( -2.726 0.000 0.117) 2.728 13.410 ( 0.786 0.000 0.801) 1.122 13.444 ( 2.213 0.000 1.470) 2.657 13.628 ( -0.044 0.000 2.717) 2.717 13.692 ( -2.591 0.000 -3.118) 4.054 14.090 ( 4.592 0.000 1.636) 4.875 14.215 ( -4.767 0.000 -4.741) 6.723 14.662 ( -4.627 0.000 11.104) 12.030 14.916 ( -3.652 0.000 17.486) 17.863 14.940 ( 7.996 0.000 -18.172) 19.854 15.330 ( -1.897 0.000 -20.667) 20.754 16.484 ( 10.804 0.000 10.674) 15.187 16.681 ( 6.296 0.000 3.269) 7.094 16.748 ( 9.273 0.000 3.144) 9.791 16.978 ( -3.765 0.000 3.685) 5.268 17.064 ( -5.019 0.000 -1.804) 5.333 17.093 ( 6.565 0.000 -17.000) 18.224 17.347 ( -8.078 0.000 9.666) 12.597 17.671 ( -9.065 0.000 -17.354) 19.579 18.355 ( 6.143 0.000 4.965) 7.899 18.440 ( 4.531 0.000 0.481) 4.557 18.491 ( 3.538 0.000 -3.165) 4.747 18.494 ( 5.782 0.000 0.441) 5.799 18.695 ( 2.133 0.000 -0.782) 2.272 18.720 ( 1.392 0.000 -3.809) 4.055 18.983 ( -3.033 0.000 1.747) 3.500 19.018 ( -4.264 0.000 -2.078) 4.743 19.091 ( -0.706 0.000 -1.593) 1.743 19.149 ( 1.322 0.000 -5.769) 5.919 19.307 ( -7.418 0.000 4.952) 8.919 19.470 ( -6.148 0.000 -8.401) 10.410 19.549 ( 8.453 0.000 4.279) 9.474 19.664 ( 9.775 0.000 -5.452) 11.193 20.002 ( -5.974 0.000 2.846) 6.617 20.014 ( -2.263 0.000 1.599) 2.771 20.269 ( 0.357 0.000 4.893) 4.906 20.293 ( -0.775 0.000 2.092) 2.231 20.325 ( -1.512 0.000 -0.684) 1.659 20.363 ( -3.153 0.000 -2.288) 3.895 20.621 ( 3.872 0.000 1.292) 4.082 20.666 ( 1.512 0.000 -2.560) 2.973 20.793 ( -0.665 0.000 0.755) 1.006 20.803 ( 0.491 0.000 1.307) 1.396 20.865 ( -0.894 0.000 0.445) 0.998 20.925 ( -0.450 0.000 -3.262) 3.293 20.994 ( -4.327 0.000 2.390) 4.943 21.054 ( -2.570 0.000 -2.248) 3.414 21.342 ( 2.924 0.000 4.528) 5.390 21.391 ( 3.883 0.000 0.666) 3.940 21.612 ( -4.356 0.000 3.544) 5.615 21.641 ( -2.190 0.000 0.461) 2.238 28.027 ( 1.809 0.000 3.387) 3.840 28.103 ( 1.288 0.000 -3.561) 3.787 28.175 ( -2.706 0.000 1.542) 3.114 28.211 ( -2.026 0.000 -1.839) 2.736 28.297 ( 1.325 0.000 3.609) 3.844 28.365 ( -0.280 0.000 2.820) 2.834 28.380 ( 0.984 0.000 -3.848) 3.971 28.423 ( 0.082 0.000 -2.531) 2.532 36.961 ( 8.843 0.000 0.872) 8.886 36.969 ( 9.337 0.000 -0.018) 9.337 37.085 ( 4.337 0.000 4.916) 6.555 37.156 ( 3.711 0.000 -1.666) 4.068 37.252 ( -0.381 0.000 3.035) 3.058 37.303 ( -1.895 0.000 -0.203) 1.906 37.633 ( -7.595 0.000 0.173) 7.597 37.635 ( -6.332 0.000 -0.140) 6.334 37.742 ( 8.219 0.000 8.986) 12.178 37.968 ( 9.493 0.000 -10.778) 14.363 38.049 ( 2.342 0.000 13.831) 14.027 38.343 ( 4.319 0.000 -13.088) 13.783 39.057 ( -15.543 0.000 11.488) 19.327 39.265 ( -22.044 0.000 13.258) 25.724 39.269 ( -17.565 0.000 -8.741) 19.620 39.506 ( -24.575 0.000 -8.954) 26.155 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 13.399 0.000 3.292) 13.797 1.684 ( 5.865 0.000 -1.591) 6.077 1.714 ( 4.035 0.000 0.814) 4.117 1.757 ( -0.455 0.000 -1.355) 1.429 1.844 ( 3.306 0.000 1.238) 3.530 1.865 ( 4.818 0.000 -1.350) 5.004 2.013 ( -7.502 0.000 -0.064) 7.503 2.034 ( -14.267 0.000 -0.128) 14.267 2.067 ( 3.911 0.000 0.216) 3.917 2.084 ( 4.450 0.000 -1.901) 4.839 2.120 ( -1.375 0.000 3.040) 3.336 2.181 ( -5.180 0.000 -1.388) 5.363 2.305 ( 4.447 0.000 0.837) 4.525 2.333 ( 4.514 0.000 -1.810) 4.863 2.429 ( -6.942 0.000 1.836) 7.181 2.448 ( -6.432 0.000 0.204) 6.436 2.626 ( 4.358 0.000 5.931) 7.360 2.689 ( 2.171 0.000 -0.099) 2.173 2.713 ( -3.954 0.000 3.136) 5.047 2.743 ( -2.657 0.000 0.429) 2.692 3.064 ( 3.642 0.000 4.081) 5.470 3.133 ( -2.825 0.000 4.162) 5.030 3.161 ( 4.186 0.000 -5.170) 6.652 3.235 ( -2.712 0.000 -5.639) 6.257 4.069 ( 6.531 0.000 6.638) 9.312 4.190 ( -5.101 0.000 6.297) 8.104 4.221 ( 5.339 0.000 -6.927) 8.746 4.310 ( -3.111 0.000 -5.182) 6.044 4.749 ( 8.460 0.000 4.581) 9.621 4.865 ( -2.942 0.000 3.160) 4.317 4.918 ( 6.873 0.000 -10.658) 12.681 4.985 ( 1.122 0.000 -7.207) 7.294 5.747 ( 12.865 0.000 3.973) 13.465 5.748 ( 15.873 0.000 0.248) 15.875 5.927 ( -1.246 0.000 18.051) 18.094 5.963 ( 1.360 0.000 11.833) 11.911 6.014 ( -6.783 0.000 0.921) 6.846 6.053 ( -3.074 0.000 19.009) 19.256 6.199 ( 5.500 0.000 -4.090) 6.854 6.325 ( 10.754 0.000 10.565) 15.076 6.396 ( -11.659 0.000 -8.933) 14.688 6.638 ( -17.420 0.000 0.739) 17.436 6.643 ( 3.000 0.000 -11.774) 12.150 6.817 ( -11.379 0.000 -13.229) 17.449 7.423 ( 3.330 0.000 5.468) 6.402 7.535 ( -6.831 0.000 1.649) 7.028 7.569 ( 3.881 0.000 -11.651) 12.280 7.654 ( -4.176 0.000 -12.127) 12.826 8.085 ( -0.054 0.000 3.786) 3.786 8.099 ( -1.867 0.000 4.671) 5.030 8.120 ( 5.500 0.000 6.305) 8.367 8.215 ( -3.627 0.000 1.059) 3.778 8.454 ( -1.375 0.000 0.208) 1.391 8.489 ( -4.838 0.000 4.551) 6.643 8.708 ( 1.881 0.000 -16.316) 16.424 8.770 ( -4.301 0.000 -15.731) 16.308 9.374 ( 13.086 0.000 -0.196) 13.087 9.410 ( 10.572 0.000 -1.107) 10.630 9.423 ( 7.329 0.000 0.237) 7.332 9.429 ( 9.391 0.000 0.029) 9.391 9.548 ( -6.442 0.000 5.099) 8.216 9.691 ( -5.033 0.000 -6.837) 8.490 9.708 ( -12.813 0.000 0.107) 12.814 9.756 ( -8.673 0.000 -4.563) 9.801 10.050 ( 6.190 0.000 8.541) 10.548 10.186 ( -5.910 0.000 10.624) 12.158 10.200 ( 5.635 0.000 -4.405) 7.152 10.340 ( -7.524 0.000 -1.972) 7.778 10.428 ( 7.084 0.000 -0.475) 7.100 10.459 ( 1.438 0.000 -5.488) 5.673 10.503 ( -2.785 0.000 -2.875) 4.002 10.578 ( -6.932 0.000 -6.152) 9.268 11.121 ( 7.447 0.000 6.742) 10.045 11.179 ( 4.407 0.000 7.066) 8.327 11.216 ( 5.611 0.000 -3.085) 6.403 11.291 ( 6.496 0.000 -2.494) 6.959 11.368 ( 2.381 0.000 2.717) 3.612 11.424 ( 7.393 0.000 -2.865) 7.928 11.526 ( -6.482 0.000 1.768) 6.719 11.603 ( -7.747 0.000 -4.616) 9.018 11.825 ( 4.331 0.000 7.103) 8.319 11.948 ( 3.306 0.000 -4.536) 5.613 11.952 ( -7.031 0.000 6.469) 9.554 12.066 ( -4.236 0.000 -3.469) 5.475 12.138 ( 1.609 0.000 4.103) 4.407 12.211 ( 4.973 0.000 -3.051) 5.835 12.303 ( -10.109 0.000 4.929) 11.247 12.404 ( -11.326 0.000 -2.753) 11.655 12.653 ( 7.383 0.000 9.481) 12.017 12.772 ( 5.119 0.000 -1.079) 5.232 12.821 ( -9.057 0.000 6.419) 11.101 12.888 ( -5.918 0.000 0.166) 5.921 13.209 ( 7.268 0.000 -0.239) 7.271 13.225 ( 8.836 0.000 -1.662) 8.990 13.357 ( -6.111 0.000 0.270) 6.117 13.399 ( -6.967 0.000 -2.136) 7.287 13.744 ( 11.112 0.000 3.300) 11.592 13.783 ( 11.246 0.000 -1.264) 11.317 14.009 ( -13.229 0.000 3.103) 13.588 14.030 ( -10.050 0.000 -0.711) 10.076 14.675 ( 5.545 0.000 17.735) 18.582 14.811 ( -6.482 0.000 18.664) 19.758 15.121 ( 8.363 0.000 -23.944) 25.363 15.259 ( -5.123 0.000 -22.717) 23.288 16.703 ( 10.025 0.000 6.853) 12.144 16.818 ( 6.811 0.000 1.615) 7.000 16.874 ( -6.609 0.000 4.012) 7.732 16.938 ( 1.781 0.000 3.322) 3.769 16.966 ( 2.590 0.000 2.448) 3.564 17.162 ( -9.867 0.000 8.416) 12.968 17.256 ( 9.327 0.000 -15.775) 18.326 17.464 ( -10.693 0.000 -15.820) 19.095 18.471 ( 4.824 0.000 2.936) 5.647 18.505 ( 1.833 0.000 0.700) 1.962 18.524 ( -0.009 0.000 -0.569) 0.569 18.537 ( -1.230 0.000 -0.109) 1.235 18.783 ( 5.901 0.000 1.588) 6.111 18.803 ( 5.800 0.000 -1.501) 5.991 18.902 ( -5.091 0.000 1.524) 5.314 18.919 ( -5.316 0.000 -1.893) 5.643 19.110 ( 2.282 0.000 -1.023) 2.500 19.181 ( -4.723 0.000 0.983) 4.824 19.211 ( 4.620 0.000 -8.439) 9.621 19.331 ( -6.828 0.000 -9.799) 11.943 19.722 ( 7.998 0.000 5.048) 9.457 19.844 ( 7.452 0.000 -5.335) 9.165 19.872 ( -6.773 0.000 4.390) 8.072 19.958 ( -3.789 0.000 -2.852) 4.742 20.273 ( 0.086 0.000 3.283) 3.284 20.279 ( -0.568 0.000 2.085) 2.161 20.297 ( -0.695 0.000 0.935) 1.165 20.309 ( -1.852 0.000 -0.253) 1.870 20.709 ( 2.660 0.000 -0.765) 2.767 20.714 ( 4.807 0.000 -1.021) 4.914 20.763 ( -2.268 0.000 0.703) 2.374 20.791 ( -2.175 0.000 -1.154) 2.462 20.856 ( 0.734 0.000 2.526) 2.630 20.905 ( -3.919 0.000 3.466) 5.232 20.937 ( 1.751 0.000 -3.779) 4.165 20.991 ( -3.243 0.000 -3.701) 4.921 21.418 ( 4.377 0.000 5.763) 7.237 21.478 ( 4.608 0.000 0.554) 4.642 21.515 ( -4.949 0.000 5.317) 7.264 21.572 ( -4.310 0.000 0.020) 4.310 28.070 ( 2.340 0.000 2.742) 3.604 28.121 ( -2.619 0.000 2.058) 3.331 28.134 ( 1.689 0.000 -3.097) 3.528 28.171 ( -1.922 0.000 -2.528) 3.176 28.325 ( 1.420 0.000 3.472) 3.752 28.351 ( -1.042 0.000 3.184) 3.350 28.401 ( 0.979 0.000 -3.402) 3.540 28.418 ( -0.560 0.000 -2.934) 2.987 37.140 ( 4.545 0.000 1.685) 4.847 37.144 ( 7.460 0.000 1.192) 7.554 37.155 ( 2.347 0.000 3.972) 4.614 37.215 ( 0.665 0.000 -1.124) 1.306 37.279 ( 5.402 0.000 0.883) 5.474 37.289 ( 2.934 0.000 0.724) 3.022 37.449 ( -9.815 0.000 0.586) 9.833 37.462 ( -9.904 0.000 -0.603) 9.922 37.921 ( 8.768 0.000 14.239) 16.722 38.057 ( -3.159 0.000 17.162) 17.450 38.224 ( 14.175 0.000 -13.272) 19.418 38.416 ( -0.702 0.000 -16.100) 16.116 38.823 ( -3.645 0.000 6.798) 7.713 38.927 ( -11.878 0.000 6.047) 13.329 38.952 ( -8.357 0.000 -4.744) 9.609 39.070 ( -16.510 0.000 -6.773) 17.845 ======================= Grid point 77 (29/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 9.057 15.753) 18.171 1.461 ( 0.000 18.654 16.885) 25.161 1.489 ( 0.000 4.023 -9.995) 10.774 1.657 ( 0.000 -1.704 1.674) 2.389 1.740 ( 0.000 0.569 -1.983) 2.063 1.769 ( 0.000 12.020 -6.109) 13.484 1.890 ( 0.000 3.599 2.206) 4.221 1.949 ( 0.000 2.405 -3.230) 4.027 2.097 ( 0.000 -2.223 0.538) 2.287 2.118 ( 0.000 -1.674 -1.513) 2.257 2.136 ( 0.000 -1.632 7.461) 7.638 2.295 ( 0.000 -0.341 -7.197) 7.205 2.302 ( 0.000 3.983 19.616) 20.017 2.540 ( 0.000 -0.052 -4.061) 4.062 2.653 ( 0.000 -0.571 2.005) 2.085 2.673 ( 0.000 -0.331 0.301) 0.448 2.727 ( 0.000 0.612 5.814) 5.846 2.793 ( 0.000 1.280 -0.834) 1.527 2.894 ( 0.000 -1.704 1.355) 2.177 2.894 ( 0.000 -2.525 3.666) 4.452 2.958 ( 0.000 -3.649 -3.010) 4.730 2.977 ( 0.000 1.177 -5.744) 5.863 3.033 ( 0.000 -7.420 5.118) 9.014 3.178 ( 0.000 -5.781 -7.939) 9.821 3.877 ( 0.000 9.523 10.036) 13.836 3.961 ( 0.000 5.967 5.622) 8.198 4.054 ( 0.000 3.052 -2.063) 3.684 4.132 ( 0.000 6.651 -13.223) 14.801 4.443 ( 0.000 -3.250 10.142) 10.650 4.587 ( 0.000 7.645 -0.664) 7.674 4.638 ( 0.000 -2.657 -8.386) 8.797 4.645 ( 0.000 1.609 -5.784) 6.004 5.303 ( 0.000 6.306 4.822) 7.939 5.433 ( 0.000 5.958 -6.933) 9.142 5.674 ( 0.000 -0.811 22.277) 22.292 5.829 ( 0.000 0.476 7.636) 7.651 5.957 ( 0.000 0.528 -3.963) 3.998 6.002 ( 0.000 -4.907 -3.262) 5.892 6.115 ( 0.000 -2.017 3.481) 4.023 6.325 ( 0.000 2.251 -14.538) 14.711 6.328 ( 0.000 3.813 26.326) 26.601 7.024 ( 0.000 -1.105 -35.192) 35.209 7.238 ( 0.000 -7.668 5.584) 9.485 7.335 ( 0.000 -20.165 -2.221) 20.287 7.538 ( 0.000 -6.385 5.664) 8.535 7.654 ( 0.000 -5.935 3.127) 6.709 7.670 ( 0.000 -0.541 -7.907) 7.926 7.785 ( 0.000 -12.265 -10.047) 15.854 8.097 ( 0.000 -0.379 5.896) 5.909 8.148 ( 0.000 -0.007 6.994) 6.994 8.209 ( 0.000 5.197 -5.911) 7.871 8.246 ( 0.000 4.976 -1.977) 5.354 8.500 ( 0.000 -1.375 1.233) 1.847 8.625 ( 0.000 -3.548 -8.713) 9.408 8.709 ( 0.000 -2.231 -1.507) 2.693 8.779 ( 0.000 -2.387 -4.027) 4.681 8.956 ( 0.000 -2.713 3.840) 4.701 9.047 ( 0.000 4.884 7.344) 8.820 9.179 ( 0.000 2.555 -12.871) 13.122 9.203 ( 0.000 8.481 -6.622) 10.760 9.616 ( 0.000 -11.802 13.197) 17.705 9.674 ( 0.000 0.428 13.619) 13.625 9.873 ( 0.000 -5.474 -9.294) 10.786 9.946 ( 0.000 -1.796 -9.368) 9.538 10.038 ( 0.000 4.313 12.361) 13.092 10.244 ( 0.000 -0.994 11.502) 11.545 10.271 ( 0.000 1.968 -0.774) 2.114 10.282 ( 0.000 3.281 7.369) 8.067 10.453 ( 0.000 -3.873 -5.628) 6.832 10.476 ( 0.000 -4.286 0.266) 4.294 10.553 ( 0.000 -8.610 -8.316) 11.970 10.596 ( 0.000 0.799 -9.470) 9.503 10.872 ( 0.000 3.520 5.208) 6.286 10.945 ( 0.000 11.226 0.847) 11.258 11.009 ( 0.000 1.386 -4.515) 4.723 11.052 ( 0.000 11.037 -8.361) 13.847 11.282 ( 0.000 14.743 5.972) 15.907 11.462 ( 0.000 11.658 -8.340) 14.334 11.487 ( 0.000 -6.343 8.767) 10.821 11.686 ( 0.000 -6.281 -9.247) 11.178 11.792 ( 0.000 -2.084 4.416) 4.883 11.895 ( 0.000 0.989 -4.987) 5.084 11.984 ( 0.000 4.166 5.118) 6.599 12.036 ( 0.000 -0.570 0.739) 0.933 12.356 ( 0.000 -3.581 8.294) 9.034 12.377 ( 0.000 1.445 7.696) 7.831 12.483 ( 0.000 -0.033 -2.361) 2.361 12.594 ( 0.000 4.768 -10.440) 11.477 12.686 ( 0.000 -2.334 4.607) 5.165 12.815 ( 0.000 -1.746 -7.179) 7.388 12.977 ( 0.000 -1.356 8.553) 8.660 13.091 ( 0.000 -5.784 0.050) 5.784 13.302 ( 0.000 2.473 6.829) 7.263 13.422 ( 0.000 13.560 14.392) 19.773 13.474 ( 0.000 2.832 -5.076) 5.812 13.520 ( 0.000 2.132 12.294) 12.477 13.642 ( 0.000 2.712 -1.414) 3.059 13.680 ( 0.000 -11.348 5.061) 12.425 13.805 ( 0.000 -8.475 -9.577) 12.789 13.938 ( 0.000 5.812 -20.453) 21.262 14.789 ( 0.000 -2.392 10.475) 10.745 14.916 ( 0.000 1.170 -0.910) 1.482 15.005 ( 0.000 0.920 5.939) 6.010 15.288 ( 0.000 -5.780 -17.316) 18.255 16.288 ( 0.000 7.505 14.285) 16.136 16.604 ( 0.000 7.026 -12.353) 14.212 16.650 ( 0.000 10.393 14.604) 17.925 16.995 ( 0.000 -6.671 7.118) 9.756 17.031 ( 0.000 7.132 -17.903) 19.272 17.135 ( 0.000 -5.546 -2.335) 6.018 17.429 ( 0.000 -9.647 7.323) 12.111 17.756 ( 0.000 -10.430 -18.802) 21.501 18.207 ( 0.000 0.966 4.544) 4.646 18.266 ( 0.000 -0.386 4.550) 4.566 18.308 ( 0.000 -0.501 -4.319) 4.348 18.324 ( 0.000 0.655 -0.794) 1.029 18.733 ( 0.000 3.456 -0.851) 3.559 18.795 ( 0.000 4.106 -5.916) 7.201 19.015 ( 0.000 -0.625 0.967) 1.152 19.053 ( 0.000 -2.289 -1.618) 2.802 19.182 ( 0.000 -2.214 1.725) 2.806 19.184 ( 0.000 -6.042 -2.665) 6.604 19.206 ( 0.000 -5.830 -4.152) 7.157 19.281 ( 0.000 -3.639 -7.279) 8.137 19.616 ( 0.000 8.025 4.820) 9.362 19.698 ( 0.000 7.399 -2.476) 7.802 20.056 ( 0.000 -3.895 6.863) 7.891 20.140 ( 0.000 -2.030 -0.430) 2.075 20.302 ( 0.000 0.458 8.632) 8.644 20.338 ( 0.000 1.913 -0.300) 1.937 20.364 ( 0.000 0.839 -2.836) 2.958 20.441 ( 0.000 -1.521 -3.777) 4.071 20.596 ( 0.000 0.989 4.205) 4.320 20.648 ( 0.000 1.914 -1.704) 2.563 20.677 ( 0.000 -2.338 4.231) 4.833 20.768 ( 0.000 -2.452 -4.130) 4.803 20.876 ( 0.000 0.012 1.972) 1.972 20.950 ( 0.000 0.088 -3.002) 3.003 21.006 ( 0.000 -5.045 3.957) 6.412 21.054 ( 0.000 -2.940 -0.614) 3.003 21.337 ( 0.000 6.093 6.619) 8.997 21.474 ( 0.000 9.542 -7.131) 11.912 21.632 ( 0.000 -1.747 6.884) 7.102 21.708 ( 0.000 -0.347 -0.601) 0.694 28.012 ( 0.000 2.384 4.062) 4.710 28.101 ( 0.000 2.521 -4.067) 4.785 28.230 ( 0.000 -2.533 4.571) 5.226 28.271 ( 0.000 0.706 0.606) 0.930 28.286 ( 0.000 1.321 -0.830) 1.560 28.328 ( 0.000 -2.530 -3.668) 4.456 28.346 ( 0.000 -0.952 1.342) 1.645 28.394 ( 0.000 -1.245 -2.309) 2.623 36.781 ( 0.000 2.301 1.445) 2.717 36.809 ( 0.000 3.693 -1.266) 3.904 36.947 ( 0.000 -0.054 4.967) 4.967 37.028 ( 0.000 -0.249 -2.586) 2.597 37.310 ( 0.000 3.594 3.195) 4.809 37.398 ( 0.000 0.969 -4.857) 4.953 37.463 ( 0.000 -2.818 7.521) 8.032 37.574 ( 0.000 -5.464 -3.145) 6.304 37.935 ( 0.000 10.908 7.116) 13.024 38.002 ( 0.000 1.184 14.837) 14.884 38.105 ( 0.000 14.743 -7.497) 16.540 38.323 ( 0.000 5.590 -14.478) 15.520 39.361 ( 0.000 -4.699 13.058) 13.878 39.638 ( 0.000 -4.437 -12.567) 13.327 39.889 ( 0.000 -21.006 5.506) 21.716 39.990 ( 0.000 -18.385 -4.007) 18.816 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.782 6.200 19.167) 20.160 1.503 ( 1.224 2.608 -10.950) 11.323 1.587 ( 9.293 16.260 11.799) 22.136 1.684 ( 3.375 -1.476 2.381) 4.386 1.743 ( 1.355 2.485 -1.131) 3.048 1.807 ( 3.522 10.455 -5.309) 12.243 1.906 ( 1.788 3.388 1.171) 4.006 1.956 ( 0.747 1.958 -2.940) 3.611 2.101 ( 0.621 -1.526 0.948) 1.901 2.120 ( 0.073 -1.497 0.101) 1.503 2.142 ( 0.491 -1.696 5.517) 5.792 2.265 ( -1.392 0.560 0.842) 1.720 2.347 ( 2.050 1.946 8.958) 9.394 2.504 ( -4.231 -0.678 -1.631) 4.585 2.647 ( -1.068 -0.824 0.487) 1.435 2.654 ( -2.870 -0.131 1.418) 3.204 2.673 ( -3.967 0.284 2.706) 4.811 2.744 ( -5.761 0.552 -1.839) 6.072 2.826 ( -2.623 -0.248 2.937) 3.945 2.890 ( -4.347 -0.925 -2.888) 5.300 2.922 ( 1.363 -1.955 2.878) 3.737 2.998 ( 1.864 -2.457 -3.837) 4.923 3.087 ( 2.883 -5.776 2.587) 6.954 3.187 ( 1.085 -5.493 -6.448) 8.540 3.904 ( 3.083 7.305 7.196) 10.707 4.070 ( 2.436 4.397 -5.675) 7.581 4.126 ( 12.553 2.871 4.333) 13.587 4.238 ( 7.360 2.945 -6.953) 10.544 4.418 ( -0.972 -0.598 9.782) 9.848 4.633 ( 2.568 2.776 -10.231) 10.907 4.689 ( 6.920 0.593 -0.904) 7.004 4.720 ( 5.572 -1.949 -3.447) 6.836 5.346 ( 4.563 6.449 3.361) 8.585 5.442 ( 1.607 5.063 -4.823) 7.175 5.731 ( 4.420 -0.646 21.041) 21.510 5.847 ( 2.288 0.250 7.745) 8.080 5.969 ( 1.147 -0.491 -1.922) 2.291 6.024 ( 1.665 -2.710 0.605) 3.238 6.116 ( 0.443 -2.411 2.549) 3.536 6.325 ( -0.470 3.386 19.779) 20.073 6.360 ( 3.343 2.326 -11.634) 12.326 6.942 ( -7.823 -9.038 -23.172) 26.073 7.159 ( -10.530 -9.351 3.217) 14.446 7.283 ( -0.517 -4.733 -11.297) 12.259 7.474 ( -5.462 -4.342 3.897) 7.992 7.619 ( -4.834 -1.104 -0.182) 4.962 7.692 ( 2.829 -3.785 -5.088) 6.944 7.760 ( -1.992 -5.373 -5.672) 8.063 8.031 ( -3.109 -3.634 5.019) 6.933 8.122 ( -4.244 7.217 -3.668) 9.141 8.243 ( -3.621 3.102 4.526) 6.574 8.272 ( 5.747 0.739 4.428) 7.293 8.523 ( 3.986 -0.470 -7.209) 8.251 8.583 ( -1.643 -4.977 -12.682) 13.722 8.786 ( 1.155 -0.208 5.023) 5.158 8.818 ( 4.871 -5.545 2.708) 7.861 8.974 ( -0.578 1.033 -2.270) 2.560 9.048 ( 2.625 0.664 1.286) 2.998 9.118 ( -2.075 3.869 -4.501) 6.288 9.256 ( 3.891 5.571 -9.352) 11.560 9.638 ( -1.533 -4.983 8.178) 9.698 9.643 ( 1.514 -6.655 8.527) 10.922 9.921 ( 2.906 -1.022 -2.930) 4.251 9.981 ( 2.604 -0.381 -3.390) 4.292 10.063 ( 2.274 2.220 5.429) 6.291 10.187 ( -4.480 3.859 2.772) 6.530 10.233 ( -1.353 -0.306 9.373) 9.475 10.324 ( 0.027 -2.670 1.536) 3.081 10.437 ( 0.206 -3.170 3.731) 4.901 10.460 ( -0.630 -1.262 -8.314) 8.433 10.576 ( 2.713 -2.699 -3.100) 4.925 10.674 ( 6.397 -6.593 -5.666) 10.793 10.822 ( -4.236 2.625 -1.121) 5.108 10.932 ( -3.889 10.338 -6.826) 12.984 11.000 ( 0.408 8.931 1.490) 9.064 11.072 ( 4.335 4.822 -3.103) 7.188 11.329 ( 3.476 10.103 3.963) 11.396 11.451 ( -0.551 9.256 -5.775) 10.924 11.549 ( 4.606 -5.634 8.493) 11.184 11.736 ( -3.860 -0.942 4.916) 6.321 11.740 ( 3.022 -4.413 -8.984) 10.455 11.812 ( -2.437 2.140 -1.212) 3.462 12.092 ( 3.376 -1.204 1.882) 4.048 12.109 ( 5.694 -0.341 -0.181) 5.707 12.309 ( -5.088 -3.779 8.568) 10.658 12.352 ( -1.284 1.286 7.324) 7.546 12.448 ( -2.635 -0.231 -1.822) 3.212 12.548 ( -0.803 6.454 -5.060) 8.240 12.724 ( 1.472 -2.767 -2.185) 3.820 12.763 ( -5.033 1.454 -2.367) 5.749 12.973 ( -0.515 -1.375 7.368) 7.513 13.083 ( -0.728 -2.160 -0.689) 2.381 13.187 ( -6.852 5.110 7.532) 11.393 13.296 ( -10.582 -0.641 5.303) 11.854 13.390 ( -4.020 0.737 4.298) 5.931 13.492 ( -1.130 5.436 -0.040) 5.552 13.634 ( -1.367 -2.387 2.505) 3.721 13.721 ( -1.783 -4.342 -5.103) 6.933 13.937 ( 9.400 -1.427 -0.947) 9.555 14.076 ( 11.558 -0.544 -12.191) 16.808 14.731 ( -5.193 -2.024 11.015) 12.345 14.824 ( -6.100 -2.646 4.923) 8.273 15.044 ( 1.813 3.767 -1.631) 4.488 15.284 ( -0.474 -6.370 -18.171) 19.261 16.348 ( 5.579 5.796 13.472) 15.691 16.636 ( 3.055 5.629 -8.612) 10.733 16.692 ( 4.193 9.142 11.802) 15.506 16.969 ( -2.285 -6.821 6.190) 9.490 17.061 ( 2.466 5.876 -15.824) 17.059 17.110 ( -1.922 -3.426 -4.467) 5.948 17.391 ( -3.572 -8.320 8.520) 12.432 17.720 ( -3.494 -8.899 -18.373) 20.712 18.251 ( 4.109 0.823 5.060) 6.570 18.330 ( 5.533 -0.881 4.764) 7.354 18.359 ( 5.100 0.944 -3.710) 6.377 18.407 ( 6.686 0.607 -2.369) 7.119 18.726 ( -0.502 3.802 -1.463) 4.104 18.775 ( -1.525 4.198 -5.801) 7.322 18.996 ( -1.492 -1.387 1.143) 2.336 19.026 ( -2.447 -3.141 -1.340) 4.201 19.141 ( -1.685 -1.521 -2.194) 3.158 19.157 ( -2.235 -2.753 -4.615) 5.820 19.288 ( 6.959 -6.524 1.116) 9.604 19.388 ( 7.706 -5.405 -6.920) 11.682 19.542 ( -6.641 7.057 5.823) 11.305 19.654 ( -3.867 6.294 -4.067) 8.432 20.054 ( -0.453 -1.334 5.330) 5.513 20.103 ( -3.514 -0.994 1.108) 3.816 20.292 ( -0.647 1.396 7.012) 7.179 20.328 ( -0.999 1.588 1.233) 2.245 20.358 ( -0.784 1.110 -2.336) 2.703 20.426 ( -2.191 -0.460 -2.776) 3.567 20.546 ( -0.556 -2.194 4.357) 4.910 20.632 ( -0.837 -0.651 -3.338) 3.502 20.750 ( 3.265 -1.369 1.147) 3.722 20.771 ( 0.028 -1.905 -1.350) 2.335 20.875 ( -0.185 0.020 1.393) 1.405 20.932 ( -1.286 -0.689 -1.680) 2.225 21.009 ( -0.283 -3.670 2.349) 4.366 21.046 ( -0.833 -2.686 -0.572) 2.869 21.352 ( 1.462 5.847 6.878) 9.145 21.473 ( 0.166 8.379 -3.973) 9.275 21.644 ( 0.684 -1.236 3.296) 3.586 21.687 ( -1.963 0.120 0.248) 1.982 28.022 ( 0.925 2.281 3.806) 4.532 28.107 ( 0.514 2.305 -3.901) 4.560 28.218 ( -1.475 -1.565 3.009) 3.698 28.244 ( -1.846 -0.364 0.059) 1.883 28.280 ( -0.017 0.779 0.504) 0.928 28.343 ( 0.988 -1.879 -4.078) 4.597 28.355 ( 0.656 -0.625 2.372) 2.539 28.405 ( 0.770 -0.911 -2.184) 2.489 36.836 ( 5.341 2.612 1.727) 6.191 36.867 ( 5.575 4.265 -1.282) 7.136 36.997 ( 4.443 0.210 5.005) 6.696 37.075 ( 4.072 -0.081 -2.208) 4.633 37.304 ( -0.498 3.616 2.851) 4.632 37.361 ( -2.179 0.902 -0.608) 2.436 37.530 ( 4.956 -2.998 2.811) 6.438 37.598 ( 2.039 -5.372 -2.290) 6.186 37.899 ( -3.335 10.648 7.230) 13.295 38.005 ( 0.240 0.848 14.083) 14.111 38.079 ( -1.930 13.481 -7.412) 15.505 38.326 ( 0.476 4.458 -14.351) 15.035 39.260 ( -9.625 -5.259 12.150) 16.368 39.508 ( -12.789 -6.466 -9.413) 17.146 39.641 ( -20.239 -13.123 8.455) 25.560 39.806 ( -16.712 -15.734 -6.105) 23.751 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 8.834 -0.258 16.711) 18.904 1.558 ( 4.854 1.541 -10.799) 11.940 1.742 ( 5.416 7.855 4.297) 10.464 1.793 ( 3.083 2.792 -0.575) 4.199 1.815 ( 7.388 6.253 2.793) 10.074 1.873 ( 2.451 6.533 0.350) 6.987 1.964 ( 2.382 0.292 -1.123) 2.649 1.994 ( 4.201 1.767 -3.562) 5.784 2.111 ( -1.302 -0.531 2.835) 3.164 2.123 ( 1.165 -0.269 1.027) 1.576 2.150 ( -0.506 -3.392 3.257) 4.729 2.231 ( -2.556 -2.183 -0.193) 3.367 2.318 ( -5.480 1.121 1.151) 5.710 2.371 ( -6.898 -0.811 -1.705) 7.151 2.554 ( -6.592 -1.952 0.754) 6.916 2.566 ( -7.707 -0.800 -0.813) 7.791 2.597 ( -0.061 1.699 6.720) 6.932 2.684 ( 0.913 2.004 -0.757) 2.329 2.782 ( -2.515 0.093 2.655) 3.658 2.823 ( -2.015 1.973 -1.121) 3.035 2.965 ( 2.755 -2.585 3.353) 5.051 3.049 ( 3.065 -2.978 -3.833) 5.740 3.120 ( 0.235 -4.286 2.431) 4.933 3.211 ( 0.574 -4.659 -5.730) 7.407 3.994 ( 5.427 5.482 6.409) 10.029 4.147 ( 4.738 3.886 -6.490) 8.926 4.294 ( -1.763 1.411 3.611) 4.259 4.323 ( 4.314 0.400 -0.908) 4.426 4.510 ( 9.686 -0.654 5.428) 11.122 4.728 ( 7.041 -1.955 -13.024) 14.934 4.807 ( 2.658 -5.396 1.319) 6.158 4.865 ( 7.757 -0.465 -3.290) 8.438 5.474 ( 6.788 0.694 3.456) 7.648 5.540 ( 8.981 5.975 -1.461) 10.885 5.795 ( 1.599 -4.674 17.361) 18.051 5.935 ( 4.515 -2.030 5.045) 7.068 5.986 ( 0.283 0.627 8.587) 8.615 6.064 ( 2.617 0.276 2.620) 3.714 6.152 ( 3.287 -1.928 3.381) 5.095 6.292 ( -2.632 2.960 11.807) 12.454 6.462 ( 6.610 3.271 -13.645) 15.510 6.726 ( -12.155 -10.636 -12.353) 20.334 6.923 ( -11.729 -2.746 5.361) 13.185 7.179 ( -10.821 4.381 -16.764) 20.428 7.401 ( -0.896 -1.065 8.900) 9.008 7.545 ( -1.003 2.542 -2.518) 3.716 7.680 ( -4.901 0.655 -4.776) 6.874 7.729 ( -1.103 -0.049 -11.631) 11.683 8.000 ( 0.781 -7.159 3.627) 8.063 8.069 ( -0.137 1.912 -1.509) 2.439 8.170 ( -2.086 3.940 7.821) 9.003 8.331 ( -0.806 4.153 1.308) 4.428 8.520 ( -1.882 -0.027 -6.546) 6.811 8.616 ( -0.074 -2.962 -9.687) 10.130 8.678 ( -6.219 2.666 4.875) 8.340 8.877 ( -6.628 -0.407 -9.346) 11.465 9.053 ( 11.005 -5.399 -0.138) 12.259 9.104 ( 9.830 -2.094 -3.993) 10.815 9.243 ( 8.503 0.353 4.751) 9.747 9.356 ( 5.883 3.321 -4.847) 8.314 9.588 ( -3.067 -4.633 6.479) 8.536 9.695 ( 2.456 -1.710 -3.256) 4.422 9.964 ( 1.539 3.442 3.460) 5.118 9.983 ( -3.373 4.247 2.729) 6.072 10.053 ( -7.440 4.487 0.612) 8.710 10.128 ( 3.100 0.360 -5.603) 6.413 10.231 ( 0.619 -0.489 12.526) 12.550 10.338 ( 2.288 -0.517 2.439) 3.384 10.427 ( -2.503 -5.821 -2.624) 6.858 10.448 ( 0.460 1.923 -6.703) 6.988 10.642 ( -3.175 4.367 2.545) 5.969 10.731 ( 3.039 -3.757 2.548) 5.463 10.797 ( -4.179 2.843 -7.291) 8.872 10.884 ( 9.656 -12.570 -7.075) 17.358 11.100 ( 7.677 8.190 2.161) 11.431 11.172 ( 5.486 5.427 -3.730) 8.571 11.375 ( -0.184 1.431 2.913) 3.251 11.432 ( -1.998 3.263 -2.231) 4.429 11.592 ( -1.966 -4.570 5.419) 7.356 11.667 ( -0.897 -0.205 3.762) 3.873 11.759 ( 0.095 0.151 -0.726) 0.748 11.852 ( 3.366 -2.322 -4.905) 6.386 12.100 ( -1.381 4.957 4.679) 6.955 12.148 ( -7.245 -1.239 4.811) 8.784 12.198 ( 2.682 0.994 0.060) 2.861 12.283 ( -6.574 1.086 -1.984) 6.952 12.464 ( 4.930 -2.531 8.439) 10.096 12.576 ( -3.632 4.204 3.226) 6.424 12.630 ( -4.265 6.382 1.650) 7.851 12.737 ( 1.561 -1.192 -10.329) 10.514 12.940 ( -3.454 -1.168 5.852) 6.895 13.033 ( -5.184 3.219 -1.404) 6.262 13.123 ( 0.473 1.557 2.673) 3.130 13.144 ( -2.799 -0.042 2.645) 3.851 13.325 ( -1.795 -5.872 2.647) 6.687 13.428 ( -4.093 -3.938 -3.694) 6.776 13.615 ( 1.000 -0.541 3.985) 4.144 13.702 ( 0.852 1.579 -4.156) 4.526 14.066 ( 2.000 -2.298 5.958) 6.692 14.217 ( -1.203 -0.650 -5.373) 5.544 14.629 ( -3.032 -1.769 13.419) 13.871 14.736 ( -1.461 -7.666 10.554) 13.126 15.071 ( 1.329 4.261 -12.639) 13.404 15.261 ( -1.951 -6.573 -20.428) 21.548 16.496 ( 8.335 1.729 11.430) 14.252 16.721 ( 5.087 3.150 -4.451) 7.457 16.812 ( 7.008 5.632 10.052) 13.487 16.909 ( -3.373 -6.260 5.181) 8.798 17.035 ( -3.752 -2.519 -3.353) 5.627 17.159 ( 5.448 5.631 -16.459) 18.229 17.292 ( -5.899 -4.798 9.413) 12.100 17.616 ( -6.595 -4.962 -17.223) 19.099 18.358 ( 5.868 0.548 5.553) 8.098 18.451 ( 5.190 -0.486 5.473) 7.559 18.480 ( 5.737 2.137 -4.893) 7.837 18.550 ( 6.172 1.946 -1.703) 6.692 18.728 ( 1.121 3.482 -1.380) 3.910 18.757 ( 0.527 3.748 -4.419) 5.818 18.956 ( -2.640 -1.577 1.087) 3.262 18.971 ( -2.490 -2.490 -2.341) 4.229 19.104 ( -0.953 -0.752 -2.143) 2.463 19.153 ( 1.546 -0.836 -6.764) 6.989 19.358 ( -7.149 3.083 3.666) 8.605 19.469 ( 2.528 -1.632 -1.690) 3.451 19.489 ( 1.813 -2.611 0.670) 3.248 19.631 ( 6.271 -1.393 -7.595) 9.947 19.997 ( -6.186 -0.787 3.922) 7.367 20.033 ( -2.402 1.281 1.021) 2.907 20.275 ( -1.248 0.116 5.225) 5.373 20.301 ( -1.401 0.877 1.538) 2.258 20.328 ( -1.969 -0.092 1.167) 2.291 20.369 ( -2.745 0.495 -2.582) 3.800 20.587 ( 3.755 -2.870 0.763) 4.787 20.634 ( 1.285 -2.678 -3.233) 4.391 20.764 ( -0.775 -1.783 0.667) 2.056 20.784 ( 0.305 -1.591 -0.663) 1.750 20.866 ( -0.577 0.343 1.609) 1.744 20.908 ( -1.024 -0.904 -0.069) 1.367 20.984 ( -1.978 -1.124 0.561) 2.343 21.020 ( -1.750 -2.164 -1.349) 3.092 21.395 ( 2.703 4.984 7.327) 9.264 21.488 ( 1.338 6.053 -0.028) 6.199 21.625 ( -2.987 1.121 1.879) 3.703 21.647 ( -1.466 0.544 -0.153) 1.571 28.048 ( 1.559 1.913 3.241) 4.074 28.122 ( 0.915 1.699 -3.411) 3.919 28.175 ( -2.359 -0.173 1.597) 2.854 28.207 ( -1.738 -0.478 -1.271) 2.205 28.294 ( 1.187 -0.097 2.500) 2.769 28.360 ( 0.027 -0.618 1.698) 1.807 28.368 ( 1.052 -1.004 -2.638) 3.013 28.416 ( 0.188 -0.554 -2.321) 2.393 36.990 ( 9.197 3.125 2.155) 9.950 37.022 ( 8.897 4.284 -1.010) 9.926 37.099 ( 4.908 1.183 4.900) 7.035 37.169 ( 4.920 1.472 -1.316) 5.301 37.295 ( -0.219 3.822 1.849) 4.251 37.323 ( -1.532 1.561 0.695) 2.295 37.618 ( 1.277 -1.539 -0.051) 2.000 37.619 ( -1.626 -1.660 -0.004) 2.323 37.834 ( -0.891 7.499 9.490) 12.128 38.013 ( 1.190 0.294 8.952) 9.036 38.078 ( 2.884 6.625 -4.183) 8.349 38.353 ( 2.289 1.280 -14.474) 14.710 38.987 ( -15.685 -6.218 11.241) 20.274 39.155 ( -17.733 -7.727 4.048) 19.763 39.241 ( -18.807 -4.403 -2.545) 19.482 39.395 ( -21.300 -9.857 -8.149) 24.844 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 14.972 -3.668 8.845) 17.772 1.695 ( 7.473 1.468 -7.187) 10.472 1.780 ( -6.831 0.553 0.741) 6.893 1.798 ( -1.033 3.715 -0.799) 3.938 1.917 ( 2.905 4.218 1.619) 5.372 1.925 ( 2.412 5.002 1.148) 5.671 1.991 ( -2.280 -0.234 2.166) 3.154 2.024 ( -6.152 0.633 -0.034) 6.185 2.080 ( 1.168 0.401 -0.397) 1.297 2.096 ( 3.537 1.337 -2.225) 4.387 2.137 ( -1.265 1.420 1.152) 2.223 2.158 ( -2.935 -2.005 -0.925) 3.673 2.287 ( 2.839 -1.275 1.132) 3.311 2.319 ( 1.931 -1.371 -1.308) 2.705 2.403 ( -6.794 -2.019 0.951) 7.152 2.424 ( -6.337 -2.546 -0.825) 6.879 2.646 ( 3.622 1.424 6.691) 7.741 2.714 ( -0.862 1.527 3.033) 3.503 2.731 ( 0.101 2.341 1.180) 2.624 2.780 ( -2.501 3.043 -0.639) 3.990 3.028 ( 3.262 -3.222 3.860) 5.993 3.086 ( -1.761 -4.163 3.852) 5.939 3.130 ( 3.131 -2.754 -5.317) 6.757 3.194 ( -2.294 -3.745 -5.858) 7.321 4.114 ( 5.941 3.977 6.525) 9.679 4.217 ( -2.969 2.681 4.988) 6.394 4.259 ( 3.419 3.181 -4.766) 6.672 4.333 ( -2.332 2.377 -4.413) 5.528 4.699 ( 7.640 -4.010 4.708) 9.829 4.805 ( -2.688 -5.471 4.117) 7.356 4.880 ( 6.498 -3.781 -11.660) 13.874 4.953 ( 0.149 -3.385 -8.785) 9.415 5.631 ( 8.309 -6.680 12.139) 16.156 5.731 ( 4.215 -3.896 11.830) 13.149 5.808 ( 2.301 -5.419 4.950) 7.692 5.919 ( -4.136 -3.045 3.447) 6.185 6.034 ( 2.974 1.910 9.612) 10.241 6.091 ( -1.412 1.818 6.943) 7.315 6.223 ( 2.630 -3.057 1.039) 4.164 6.276 ( 0.500 1.316 -4.699) 4.905 6.521 ( -1.171 3.839 -0.715) 4.077 6.640 ( 3.224 5.408 -7.065) 9.463 6.694 ( -5.071 2.586 0.765) 5.744 6.910 ( -13.778 5.949 -11.611) 18.975 7.435 ( 3.945 1.069 7.607) 8.636 7.527 ( -3.414 1.219 1.562) 3.947 7.607 ( 0.069 2.208 -8.313) 8.602 7.661 ( -4.025 -0.034 -13.382) 13.974 8.062 ( 3.518 -2.385 3.076) 5.247 8.096 ( 1.109 1.461 2.196) 2.861 8.156 ( 1.739 1.864 2.955) 3.903 8.256 ( -5.718 3.108 -1.776) 6.746 8.490 ( -0.629 2.853 0.386) 2.947 8.519 ( -4.015 3.697 1.531) 5.668 8.668 ( 1.667 -2.539 -12.402) 12.768 8.736 ( -5.407 -2.192 -13.437) 14.649 9.292 ( 10.330 -7.110 1.020) 12.582 9.314 ( 8.140 -4.824 -0.742) 9.491 9.378 ( 2.849 -4.793 4.399) 7.102 9.450 ( -2.805 -5.191 -1.852) 6.184 9.569 ( 7.980 6.787 6.294) 12.221 9.745 ( 2.881 7.514 -8.213) 11.498 9.821 ( -11.594 7.233 1.137) 13.713 9.871 ( -6.852 7.912 -2.998) 10.888 10.060 ( 5.451 1.086 8.479) 10.139 10.180 ( -4.868 -0.284 9.430) 10.616 10.214 ( 4.597 0.847 -4.430) 6.440 10.331 ( -5.985 -1.300 -3.616) 7.113 10.442 ( 6.915 1.989 -0.561) 7.217 10.478 ( 2.262 1.635 -4.862) 5.606 10.543 ( -4.002 4.324 -2.339) 6.339 10.608 ( -8.138 3.558 -5.772) 10.593 10.970 ( 11.256 -13.683 8.068) 19.468 11.065 ( 6.003 -8.928 2.231) 10.988 11.210 ( -1.134 -9.513 -2.497) 9.901 11.261 ( -1.325 -0.966 -4.516) 4.805 11.365 ( 4.031 1.011 2.943) 5.092 11.417 ( 5.825 1.081 -2.346) 6.372 11.500 ( -6.302 0.844 3.788) 7.401 11.605 ( -8.035 -0.181 -6.061) 10.066 11.801 ( 5.704 -1.305 7.640) 9.624 11.930 ( 4.162 0.531 -2.931) 5.118 11.958 ( -7.238 -1.983 5.752) 9.456 12.084 ( -7.326 1.912 -3.187) 8.215 12.204 ( 5.448 7.421 6.391) 11.207 12.313 ( 6.194 8.616 -1.318) 10.693 12.396 ( -8.345 6.503 4.257) 11.404 12.497 ( -6.875 6.256 -2.251) 9.564 12.633 ( 6.944 -0.284 8.939) 11.323 12.780 ( -3.479 -1.002 4.059) 5.439 12.845 ( -0.543 3.752 -3.471) 5.140 12.917 ( -4.934 2.041 -2.913) 6.082 13.175 ( 4.482 -4.385 0.353) 6.280 13.181 ( 4.909 -4.025 0.084) 6.349 13.271 ( -4.099 -6.830 0.119) 7.966 13.319 ( -6.793 -7.497 -3.499) 10.705 13.735 ( 10.396 0.121 5.464) 11.745 13.812 ( 9.726 2.005 -1.676) 10.071 13.974 ( -9.742 -2.304 5.369) 11.359 14.059 ( -11.626 1.188 -2.070) 11.869 14.645 ( 3.779 -2.396 18.664) 19.193 14.718 ( -2.151 -7.207 18.974) 20.410 15.122 ( 3.747 -0.181 -23.359) 23.658 15.203 ( -3.680 -4.810 -23.346) 24.118 16.666 ( 7.947 -2.724 8.929) 12.260 16.801 ( -3.799 -5.043 5.554) 8.409 16.843 ( 3.845 0.508 -1.564) 4.182 16.946 ( -4.779 -0.988 -3.378) 5.935 16.979 ( 8.104 2.641 9.070) 12.447 17.143 ( -7.592 -1.449 9.670) 12.379 17.302 ( 7.371 3.913 -15.833) 17.897 17.463 ( -8.032 -0.123 -16.117) 18.008 18.465 ( 4.036 0.227 5.125) 6.528 18.507 ( 0.156 0.181 4.838) 4.844 18.569 ( 3.031 4.069 -3.489) 6.157 18.609 ( -0.467 4.390 -3.286) 5.503 18.791 ( 4.910 0.720 1.290) 5.128 18.817 ( 4.624 1.680 -1.831) 5.249 18.890 ( -3.818 -0.646 0.780) 3.950 18.914 ( -3.637 0.210 -2.671) 4.517 19.118 ( 2.358 -0.049 -1.010) 2.566 19.196 ( -3.072 1.078 -0.077) 3.256 19.230 ( 1.841 1.687 -6.704) 7.154 19.348 ( -7.089 1.732 -8.774) 11.413 19.667 ( 9.386 -4.704 5.350) 11.784 19.804 ( 8.459 -3.186 -6.512) 11.141 19.848 ( -8.103 -2.503 5.022) 9.856 19.953 ( -5.680 -0.570 -3.815) 6.866 20.253 ( -0.276 -1.189 4.126) 4.303 20.270 ( -1.616 -0.869 3.502) 3.954 20.301 ( -0.117 0.250 0.058) 0.282 20.321 ( -1.866 0.742 -1.224) 2.352 20.671 ( 3.684 -2.793 -0.470) 4.647 20.686 ( 3.814 -2.627 -1.914) 5.011 20.733 ( -2.368 -2.134 0.445) 3.219 20.761 ( -2.717 -2.609 -2.109) 4.317 20.865 ( 0.725 0.841 3.283) 3.466 20.889 ( -1.121 -0.319 3.419) 3.612 20.953 ( -0.231 0.531 -2.638) 2.701 20.978 ( -2.095 -0.811 -2.736) 3.540 21.458 ( 3.404 3.425 7.330) 8.777 21.513 ( -0.387 2.181 5.125) 5.583 21.569 ( -0.838 4.603 -0.000) 4.678 21.604 ( -2.565 2.604 -1.041) 3.800 28.084 ( 1.938 1.251 2.592) 3.470 28.125 ( -1.959 0.415 1.782) 2.681 28.147 ( 1.002 1.083 -2.801) 3.166 28.174 ( -1.505 0.211 -2.308) 2.763 28.322 ( 1.429 -0.254 3.023) 3.354 28.348 ( -1.014 -0.268 2.998) 3.176 28.392 ( 1.159 -0.775 -3.222) 3.511 28.411 ( -0.627 -0.519 -2.747) 2.865 37.158 ( 3.924 1.595 2.410) 4.873 37.169 ( 4.729 2.146 3.761) 6.412 37.181 ( 3.476 1.988 2.480) 4.710 37.256 ( -1.081 3.201 -1.446) 3.675 37.320 ( 7.510 4.400 1.364) 8.810 37.347 ( 5.725 5.104 -0.711) 7.703 37.503 ( -8.644 4.595 0.723) 9.816 37.523 ( -8.777 4.951 -1.082) 10.135 37.915 ( 6.786 -0.411 13.878) 15.454 38.024 ( -2.258 -2.748 16.225) 16.610 38.221 ( 10.522 -0.177 -13.003) 16.728 38.384 ( -2.039 -2.795 -16.173) 16.539 38.761 ( -3.135 -5.425 7.204) 9.548 38.871 ( -10.603 -4.777 5.139) 12.714 38.910 ( -8.541 -3.942 -4.679) 10.506 39.013 ( -14.600 -5.043 -6.484) 16.752 ======================= Grid point 84 (33/36) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 9.577 9.022) 13.158 1.576 ( 0.000 -5.940 4.780) 7.624 1.583 ( 0.000 4.617 -6.351) 7.852 1.653 ( 0.000 -1.398 -1.333) 1.932 1.898 ( 0.000 12.599 9.657) 15.874 1.972 ( 0.000 3.694 1.485) 3.981 2.006 ( 0.000 2.916 -2.213) 3.660 2.035 ( 0.000 5.313 -2.289) 5.785 2.058 ( 0.000 -0.286 0.541) 0.612 2.081 ( 0.000 -4.055 9.993) 10.784 2.090 ( 0.000 4.553 -2.557) 5.222 2.262 ( 0.000 -4.229 -6.553) 7.799 2.439 ( 0.000 9.428 8.169) 12.475 2.545 ( 0.000 1.392 -1.969) 2.412 2.614 ( 0.000 -4.154 1.772) 4.516 2.623 ( 0.000 -5.960 1.129) 6.066 2.752 ( 0.000 1.949 5.229) 5.581 2.816 ( 0.000 -4.483 3.266) 5.546 2.823 ( 0.000 1.174 -2.320) 2.600 2.858 ( 0.000 -4.304 -1.624) 4.600 2.866 ( 0.000 -0.385 3.909) 3.927 2.902 ( 0.000 -3.907 5.239) 6.536 3.002 ( 0.000 1.791 -7.854) 8.056 3.065 ( 0.000 -4.567 -8.624) 9.759 4.086 ( 0.000 8.176 7.249) 10.927 4.109 ( 0.000 7.542 3.996) 8.535 4.124 ( 0.000 3.109 2.095) 3.749 4.227 ( 0.000 -0.897 -3.983) 4.083 4.396 ( 0.000 2.054 8.288) 8.539 4.555 ( 0.000 -9.539 2.493) 9.859 4.616 ( 0.000 1.795 -11.319) 11.460 4.671 ( 0.000 -0.777 -7.716) 7.755 5.542 ( 0.000 12.371 9.065) 15.337 5.658 ( 0.000 -1.325 16.579) 16.632 5.682 ( 0.000 16.474 -4.446) 17.063 5.873 ( 0.000 5.752 5.313) 7.831 5.907 ( 0.000 -5.452 -6.930) 8.818 5.989 ( 0.000 4.554 -5.844) 7.408 6.015 ( 0.000 -7.407 9.128) 11.755 6.240 ( 0.000 -12.789 -10.974) 16.852 6.485 ( 0.000 13.095 18.051) 22.301 6.860 ( 0.000 -22.791 7.286) 23.927 7.002 ( 0.000 0.085 -24.908) 24.908 7.078 ( 0.000 -7.600 -7.854) 10.929 7.435 ( 0.000 -3.051 8.224) 8.772 7.465 ( 0.000 -7.717 4.246) 8.808 7.648 ( 0.000 -1.327 -13.151) 13.217 7.654 ( 0.000 -0.965 -12.783) 12.820 8.080 ( 0.000 -0.130 13.668) 13.669 8.115 ( 0.000 -2.842 13.872) 14.161 8.311 ( 0.000 4.024 -6.254) 7.437 8.334 ( 0.000 2.317 -2.977) 3.772 8.571 ( 0.000 5.486 -5.889) 8.049 8.605 ( 0.000 2.984 -10.384) 10.804 8.646 ( 0.000 -3.679 -6.766) 7.702 8.713 ( 0.000 -4.277 -9.552) 10.466 8.936 ( 0.000 1.239 11.562) 11.628 9.025 ( 0.000 -6.016 13.342) 14.635 9.202 ( 0.000 0.899 -10.910) 10.946 9.249 ( 0.000 -2.996 -6.996) 7.610 9.560 ( 0.000 5.377 10.078) 11.422 9.661 ( 0.000 -2.783 9.975) 10.356 9.827 ( 0.000 1.138 -13.517) 13.565 9.881 ( 0.000 -3.607 -10.608) 11.205 10.133 ( 0.000 4.509 12.833) 13.602 10.207 ( 0.000 -2.760 11.095) 11.433 10.298 ( 0.000 -0.550 3.331) 3.376 10.299 ( 0.000 -0.630 -0.132) 0.644 10.407 ( 0.000 0.698 -2.579) 2.672 10.424 ( 0.000 -1.257 0.384) 1.314 10.512 ( 0.000 3.081 -11.632) 12.034 10.589 ( 0.000 -2.389 -12.590) 12.814 11.008 ( 0.000 8.684 4.165) 9.631 11.075 ( 0.000 6.213 -2.464) 6.683 11.104 ( 0.000 1.731 6.660) 6.881 11.266 ( 0.000 -5.259 -4.920) 7.202 11.326 ( 0.000 5.228 6.668) 8.473 11.459 ( 0.000 -0.553 3.692) 3.733 11.561 ( 0.000 -2.149 -12.165) 12.353 11.581 ( 0.000 0.679 -6.399) 6.435 11.822 ( 0.000 4.617 5.790) 7.405 11.946 ( 0.000 -6.645 3.870) 7.690 11.948 ( 0.000 3.176 -5.932) 6.729 12.009 ( 0.000 -2.580 -2.024) 3.279 12.437 ( 0.000 4.119 12.161) 12.839 12.444 ( 0.000 10.208 12.314) 15.995 12.531 ( 0.000 2.744 9.099) 9.503 12.667 ( 0.000 2.140 -4.191) 4.706 12.711 ( 0.000 4.140 -5.596) 6.961 12.763 ( 0.000 1.964 -6.927) 7.200 12.817 ( 0.000 -15.387 5.430) 16.317 12.952 ( 0.000 -7.628 -2.728) 8.101 13.338 ( 0.000 1.444 6.332) 6.494 13.422 ( 0.000 -8.576 10.423) 13.498 13.482 ( 0.000 1.472 -5.857) 6.039 13.570 ( 0.000 -7.195 -4.463) 8.467 13.670 ( 0.000 7.831 14.080) 16.111 13.717 ( 0.000 9.668 7.318) 12.125 13.783 ( 0.000 4.806 1.598) 5.064 13.963 ( 0.000 -5.180 -8.972) 10.360 14.830 ( 0.000 7.133 3.022) 7.747 14.949 ( 0.000 3.015 -6.665) 7.315 14.969 ( 0.000 -4.213 -1.706) 4.545 15.099 ( 0.000 -11.334 -13.128) 17.344 16.514 ( 0.000 13.832 12.681) 18.765 16.784 ( 0.000 10.025 -5.761) 11.562 16.795 ( 0.000 -12.738 9.527) 15.907 16.905 ( 0.000 13.939 5.891) 15.133 16.982 ( 0.000 -9.091 -2.439) 9.412 17.187 ( 0.000 -13.465 4.561) 14.216 17.223 ( 0.000 11.521 -16.855) 20.417 17.489 ( 0.000 -14.329 -17.676) 22.755 18.232 ( 0.000 1.337 5.016) 5.191 18.255 ( 0.000 -0.825 5.265) 5.329 18.316 ( 0.000 0.992 -2.218) 2.430 18.331 ( 0.000 -0.215 -1.438) 1.454 18.827 ( 0.000 5.456 -1.404) 5.634 18.904 ( 0.000 6.475 -6.657) 9.287 18.946 ( 0.000 -6.011 -1.055) 6.103 19.020 ( 0.000 -2.294 -3.131) 3.881 19.091 ( 0.000 -3.342 -3.636) 4.939 19.119 ( 0.000 -3.427 -0.199) 3.432 19.124 ( 0.000 0.957 -5.388) 5.473 19.191 ( 0.000 -4.662 -6.928) 8.351 19.804 ( 0.000 9.306 5.590) 10.855 19.879 ( 0.000 9.596 -1.174) 9.668 19.961 ( 0.000 -5.997 6.959) 9.187 20.051 ( 0.000 -6.749 -1.015) 6.825 20.319 ( 0.000 1.251 6.327) 6.450 20.347 ( 0.000 -0.991 2.804) 2.974 20.385 ( 0.000 1.126 -1.433) 1.823 20.410 ( 0.000 -1.423 -2.095) 2.532 20.618 ( 0.000 1.051 3.769) 3.912 20.639 ( 0.000 -1.246 3.562) 3.774 20.686 ( 0.000 1.596 -3.248) 3.619 20.718 ( 0.000 -1.971 -3.852) 4.327 20.885 ( 0.000 1.051 3.303) 3.466 20.925 ( 0.000 -3.014 4.543) 5.452 20.960 ( 0.000 1.147 -2.414) 2.673 20.998 ( 0.000 -2.460 -1.731) 3.008 21.469 ( 0.000 6.249 8.093) 10.225 21.574 ( 0.000 -4.022 7.746) 8.728 21.623 ( 0.000 5.075 -6.707) 8.411 21.689 ( 0.000 -1.780 -3.212) 3.672 28.078 ( 0.000 3.929 4.227) 5.771 28.161 ( 0.000 -4.024 4.424) 5.980 28.171 ( 0.000 4.136 -4.228) 5.914 28.258 ( 0.000 -4.183 -4.323) 6.016 28.292 ( 0.000 1.346 1.195) 1.800 28.321 ( 0.000 1.966 -1.401) 2.414 28.321 ( 0.000 -1.442 1.658) 2.197 28.361 ( 0.000 -1.927 -1.902) 2.707 36.852 ( 0.000 4.239 3.052) 5.223 36.912 ( 0.000 5.629 -2.869) 6.318 36.925 ( 0.000 -2.436 4.250) 4.899 37.002 ( 0.000 -2.759 -3.164) 4.198 37.391 ( 0.000 3.747 1.173) 3.927 37.407 ( 0.000 0.452 -0.057) 0.456 37.418 ( 0.000 -1.512 4.539) 4.784 37.478 ( 0.000 -4.266 -1.418) 4.496 38.061 ( 0.000 4.304 18.945) 19.428 38.101 ( 0.000 2.866 15.719) 15.978 38.380 ( 0.000 10.777 -8.713) 13.859 38.453 ( 0.000 4.229 -16.473) 17.007 39.294 ( 0.000 1.424 10.812) 10.905 39.503 ( 0.000 -16.319 2.208) 16.468 39.542 ( 0.000 -3.539 -11.766) 12.287 39.604 ( 0.000 -13.359 -5.808) 14.567 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.14 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -1.758 11.233 11.168) 15.937 1.576 ( 0.712 2.169 -3.771) 4.408 1.607 ( 2.472 -5.070 2.525) 6.180 1.699 ( 4.040 -1.245 -3.030) 5.202 1.921 ( 2.054 9.515 8.730) 13.075 1.976 ( 0.400 4.421 1.851) 4.810 2.009 ( 0.330 2.932 -1.637) 3.374 2.050 ( 1.303 3.417 -2.268) 4.304 2.068 ( 0.724 -0.363 3.760) 3.846 2.081 ( 0.381 -1.956 2.250) 3.006 2.108 ( 1.235 3.256 0.843) 3.583 2.249 ( -1.251 -3.416 -5.967) 6.988 2.422 ( -2.449 3.792 6.648) 8.036 2.489 ( -4.945 0.500 -0.040) 4.971 2.617 ( -1.114 -3.214 1.332) 3.653 2.634 ( -0.535 -0.211 1.747) 1.839 2.693 ( -3.670 0.989 2.994) 4.838 2.762 ( -5.853 0.994 -1.190) 6.055 2.803 ( -1.657 -2.537 2.057) 3.662 2.838 ( -0.013 -2.702 -1.000) 2.881 2.878 ( 1.303 -1.718 1.841) 2.835 2.944 ( 2.271 -2.156 3.549) 4.733 2.988 ( 0.932 -2.363 -6.011) 6.525 3.085 ( 1.501 -3.181 -6.814) 7.668 4.090 ( 1.520 9.082 6.070) 11.029 4.160 ( 3.409 3.655 0.988) 5.095 4.220 ( 7.854 4.460 2.501) 9.372 4.262 ( 2.523 -2.691 0.158) 3.692 4.417 ( 2.507 2.831 5.833) 6.951 4.587 ( 2.693 -9.080 3.356) 10.048 4.606 ( 1.268 -1.348 -9.871) 10.043 4.744 ( 4.966 0.588 -10.389) 11.530 5.519 ( -1.084 6.571 9.939) 11.964 5.657 ( 1.125 12.788 3.251) 13.243 5.725 ( 1.132 1.078 9.651) 9.777 5.867 ( 0.349 0.711 0.778) 1.110 5.973 ( 4.463 -0.267 -0.137) 4.473 6.001 ( 2.219 -0.971 2.984) 3.843 6.033 ( 1.819 -0.036 3.144) 3.632 6.290 ( 4.533 -10.657 -12.283) 16.881 6.421 ( -3.925 4.990 12.044) 13.615 6.737 ( -11.608 -5.639 -10.864) 16.870 6.913 ( -0.104 -11.817 7.551) 14.024 7.269 ( 5.159 0.644 -22.966) 23.547 7.407 ( 1.715 0.330 8.817) 8.988 7.555 ( 4.549 -7.441 3.524) 9.406 7.616 ( 1.888 -0.172 -10.187) 10.362 7.695 ( 0.627 -0.440 -9.745) 9.775 7.915 ( -9.306 -5.442 15.929) 19.234 8.232 ( -5.473 3.235 -8.584) 10.682 8.281 ( 7.995 0.246 7.451) 10.932 8.385 ( -0.303 7.383 -0.206) 7.392 8.490 ( -0.407 -1.202 -8.695) 8.787 8.584 ( -0.178 2.615 -12.537) 12.808 8.692 ( 1.928 -5.449 4.206) 7.148 8.780 ( 3.581 -0.955 -1.340) 3.941 8.927 ( 0.478 -3.125 -0.420) 3.189 9.076 ( 1.517 1.985 4.618) 5.251 9.148 ( -2.194 -2.282 -4.252) 5.301 9.300 ( 3.671 -0.036 -5.650) 6.738 9.601 ( 2.970 2.752 8.130) 9.082 9.629 ( -0.340 1.560 8.994) 9.135 9.869 ( 2.729 -3.679 -8.785) 9.908 9.906 ( 3.414 -4.129 -9.462) 10.873 10.104 ( -1.606 1.461 9.168) 9.422 10.228 ( -1.596 0.745 6.645) 6.874 10.242 ( -2.271 0.679 1.791) 2.971 10.296 ( 0.917 -0.842 4.614) 4.779 10.400 ( -0.593 1.381 -2.620) 3.021 10.482 ( 3.194 -4.088 0.396) 5.203 10.511 ( 0.770 4.025 -10.909) 11.653 10.600 ( 1.348 -3.200 -10.094) 10.674 10.932 ( -5.535 6.017 6.380) 10.370 11.112 ( 0.788 7.479 -7.472) 10.602 11.159 ( 3.071 4.708 4.116) 6.967 11.223 ( -2.179 3.254 -3.633) 5.342 11.355 ( 1.282 -1.794 5.826) 6.230 11.426 ( -1.114 -3.335 4.465) 5.684 11.535 ( -2.067 -2.115 -4.836) 5.668 11.653 ( 4.558 -3.443 -9.834) 11.372 11.774 ( -3.027 2.855 6.575) 7.781 11.884 ( -3.636 3.346 -3.955) 6.329 12.044 ( 7.827 -1.949 2.739) 8.519 12.082 ( 4.953 -1.370 -0.299) 5.148 12.317 ( -8.531 2.447 9.901) 13.297 12.409 ( -3.336 4.462 10.244) 11.661 12.511 ( -3.008 5.096 3.309) 6.780 12.611 ( -2.007 -5.990 -0.341) 6.327 12.699 ( -0.274 7.228 -6.420) 9.672 12.778 ( 0.127 -1.021 -7.761) 7.829 12.881 ( 3.205 -8.327 9.367) 12.936 13.027 ( 4.887 -1.512 -0.542) 5.144 13.234 ( -7.631 -0.884 9.638) 12.325 13.306 ( -7.557 2.195 5.209) 9.437 13.395 ( -6.862 0.642 -3.773) 7.857 13.482 ( -7.985 -6.242 -5.570) 11.565 13.632 ( -2.304 2.719 4.056) 5.399 13.725 ( 1.100 4.307 -3.497) 5.656 13.918 ( 8.627 -0.736 12.458) 15.171 14.071 ( 6.854 -1.378 -1.041) 7.068 14.774 ( -9.327 -1.765 4.305) 10.423 14.789 ( -4.288 7.497 7.004) 11.120 15.082 ( 3.876 0.462 -12.110) 12.723 15.092 ( -0.316 -10.986 -16.907) 20.165 16.528 ( 1.475 11.350 12.323) 16.818 16.767 ( -1.637 -5.425 4.803) 7.428 16.790 ( 0.073 1.915 0.498) 1.980 16.892 ( -0.223 6.261 2.036) 6.588 17.003 ( 0.804 -2.117 -2.264) 3.203 17.185 ( -0.228 -11.015 8.217) 13.744 17.241 ( 1.849 9.400 -16.919) 19.443 17.502 ( 0.739 -11.077 -16.923) 20.239 18.276 ( 4.107 1.521 5.613) 7.120 18.310 ( 4.971 -1.254 6.164) 8.017 18.385 ( 6.108 1.337 -3.970) 7.407 18.408 ( 6.732 -0.462 -1.797) 6.983 18.826 ( -0.104 5.594 -1.358) 5.758 18.883 ( -1.391 5.443 -5.923) 8.164 18.945 ( -0.427 -3.318 -1.822) 3.809 18.994 ( -2.306 -0.936 -1.500) 2.906 19.053 ( -1.628 -5.592 -4.213) 7.189 19.094 ( -0.838 -1.909 -6.113) 6.459 19.193 ( 5.533 -2.632 0.810) 6.180 19.290 ( 7.312 -3.079 -7.597) 10.984 19.684 ( -8.811 5.046 6.160) 11.876 19.796 ( -6.689 6.190 -3.554) 9.782 20.021 ( 2.400 -1.721 4.887) 5.710 20.057 ( -0.366 -2.877 1.772) 3.399 20.314 ( -0.771 0.733 6.304) 6.393 20.335 ( -1.252 -0.749 3.332) 3.637 20.382 ( -0.834 1.183 -1.303) 1.948 20.407 ( -1.074 -1.227 -1.746) 2.389 20.513 ( -2.734 -0.655 4.058) 4.936 20.624 ( -3.548 -0.130 -5.917) 6.900 20.732 ( 3.160 -0.360 0.325) 3.197 20.745 ( 0.803 -0.534 -1.081) 1.448 20.884 ( -0.117 0.935 3.248) 3.382 20.914 ( -0.807 -1.354 3.834) 4.145 20.964 ( 0.135 -0.367 -1.499) 1.549 20.995 ( -0.334 -2.102 -1.615) 2.672 21.477 ( 0.761 5.748 8.295) 10.120 21.563 ( -0.688 -1.484 6.565) 6.765 21.638 ( 1.006 2.327 -5.147) 5.738 21.680 ( -0.809 -1.052 -2.726) 3.031 28.082 ( 0.383 3.339 3.859) 5.118 28.164 ( 0.088 -3.292 3.928) 5.126 28.168 ( -0.266 3.380 -3.857) 5.135 28.230 ( -2.070 -1.753 -1.607) 3.152 28.299 ( -0.601 0.402 -1.030) 1.258 28.306 ( 0.930 -0.777 -2.165) 2.481 28.342 ( 1.153 -0.534 2.125) 2.476 28.385 ( 1.442 -0.775 -1.798) 2.432 36.912 ( 5.772 4.319 3.327) 7.939 36.971 ( 5.399 5.063 -2.461) 7.800 36.982 ( 5.237 -2.075 4.285) 7.077 37.061 ( 5.583 -1.654 -3.187) 6.638 37.369 ( -1.538 -0.023 2.452) 2.894 37.385 ( -0.533 3.617 0.389) 3.676 37.478 ( 3.821 -2.090 1.705) 4.677 37.507 ( 2.760 -3.277 -0.752) 4.350 38.031 ( -3.130 2.708 17.160) 17.652 38.080 ( -1.736 3.839 16.184) 16.723 38.335 ( -4.086 9.940 -9.515) 14.354 38.432 ( -1.895 3.490 -15.518) 16.018 39.167 ( -11.809 -1.624 8.718) 14.768 39.340 ( -14.147 -6.052 -1.889) 15.503 39.412 ( -11.521 -12.056 -4.085) 17.169 39.495 ( -10.864 -8.016 -6.303) 14.900 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.29 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.435 12.068 14.023) 18.817 1.628 ( 4.511 1.921 -4.146) 6.421 1.674 ( 3.552 -8.372 2.500) 9.432 1.798 ( 4.823 -1.774 -4.796) 7.030 1.959 ( 1.067 3.834 5.064) 6.441 1.992 ( 1.134 4.733 2.822) 5.626 2.022 ( 1.116 3.096 -0.871) 3.405 2.076 ( 0.947 2.110 0.845) 2.462 2.087 ( 0.050 -1.162 2.699) 2.939 2.091 ( 1.280 -2.263 1.113) 2.828 2.134 ( 1.091 4.055 -1.307) 4.398 2.209 ( -2.785 -1.076 -4.546) 5.438 2.333 ( -4.884 -2.050 0.880) 5.370 2.352 ( -7.471 1.428 -0.564) 7.628 2.507 ( -7.785 -1.970 2.192) 8.324 2.552 ( -9.602 -0.347 -2.029) 9.821 2.632 ( 1.109 1.791 7.205) 7.507 2.736 ( 2.246 2.554 -1.383) 3.671 2.764 ( -1.705 -2.281 5.751) 6.418 2.853 ( 0.336 0.392 -2.082) 2.145 2.915 ( 2.212 -1.417 2.339) 3.517 2.986 ( 2.091 -1.526 0.351) 2.612 3.029 ( 1.845 -4.048 -2.824) 5.269 3.118 ( 1.253 -3.065 -5.875) 6.744 4.133 ( 2.647 6.758 6.371) 9.658 4.243 ( 4.476 4.182 -2.849) 6.756 4.292 ( 0.163 -1.577 6.345) 6.540 4.362 ( 4.651 1.943 -1.318) 5.210 4.510 ( 6.177 1.297 3.319) 7.131 4.651 ( 3.139 -7.670 4.584) 9.471 4.677 ( 5.207 -2.363 -10.789) 12.211 4.836 ( 3.459 -1.827 -11.363) 12.017 5.518 ( 1.019 2.838 13.320) 13.657 5.672 ( -2.020 -1.016 16.401) 16.556 5.737 ( 2.894 6.195 -3.360) 7.619 5.868 ( -0.402 -3.463 -1.249) 3.703 6.029 ( 1.732 1.201 7.316) 7.613 6.081 ( 3.563 -2.422 7.086) 8.293 6.110 ( 4.837 2.122 0.850) 5.350 6.328 ( -1.533 0.438 -1.362) 2.097 6.464 ( 6.885 -4.352 -4.999) 9.556 6.560 ( -2.409 -2.032 -10.766) 11.218 6.865 ( -4.710 -2.601 10.365) 11.678 7.221 ( -7.510 0.318 -20.314) 21.660 7.453 ( 0.739 7.278 8.483) 11.202 7.613 ( -0.540 1.934 2.772) 3.423 7.666 ( -0.005 -2.798 -5.056) 5.778 7.703 ( -2.821 -3.508 -7.562) 8.801 7.825 ( 6.751 -5.704 4.299) 9.829 8.105 ( -4.226 1.125 -12.503) 13.246 8.317 ( -4.686 7.711 5.402) 10.516 8.386 ( 0.426 2.132 2.181) 3.080 8.507 ( 0.855 -2.213 -6.101) 6.546 8.584 ( -0.386 -0.523 -8.914) 8.938 8.732 ( -3.506 2.003 4.288) 5.890 8.860 ( 6.560 -2.429 1.774) 7.217 8.953 ( -4.318 -1.250 -7.581) 8.814 9.042 ( 9.467 -2.944 -8.141) 12.829 9.223 ( 4.562 -2.189 8.472) 9.868 9.373 ( 2.230 -1.024 -5.178) 5.730 9.602 ( 2.392 5.511 10.912) 12.457 9.761 ( 8.128 5.762 0.701) 9.988 9.928 ( 3.278 -6.040 0.053) 6.872 10.005 ( 3.708 -3.764 -3.828) 6.524 10.083 ( -0.149 -1.273 4.581) 4.757 10.148 ( -3.240 2.901 -2.402) 4.968 10.225 ( -0.484 0.496 5.742) 5.784 10.313 ( -0.568 -1.693 1.701) 2.466 10.413 ( 2.814 5.448 0.360) 6.142 10.515 ( 0.664 4.462 -7.074) 8.390 10.566 ( 4.801 -7.542 -0.274) 8.944 10.661 ( 4.802 -7.863 -7.605) 11.947 10.811 ( -6.075 7.546 4.746) 10.788 10.991 ( -9.473 12.065 -9.091) 17.831 11.165 ( -7.607 -5.455 2.874) 9.792 11.226 ( -1.498 -4.134 -3.691) 5.741 11.333 ( 2.339 0.400 4.251) 4.868 11.441 ( 0.025 2.078 -4.396) 4.863 11.525 ( 2.533 -3.244 7.222) 8.313 11.695 ( -1.831 0.058 -2.516) 3.112 11.751 ( 0.850 0.323 0.972) 1.331 11.839 ( 0.916 1.039 -2.808) 3.132 12.100 ( -7.591 -1.286 11.023) 13.446 12.198 ( 3.895 2.389 7.829) 9.065 12.262 ( 9.061 2.341 -2.052) 9.581 12.328 ( -4.041 2.850 -6.231) 7.955 12.477 ( 2.698 3.895 7.808) 9.133 12.589 ( -2.197 -2.934 8.448) 9.209 12.722 ( 2.663 3.213 -11.924) 12.633 12.733 ( -3.647 0.619 -3.617) 5.174 12.899 ( -1.025 -4.284 9.669) 10.625 13.059 ( -2.026 -2.506 2.930) 4.356 13.130 ( -5.204 2.687 -0.381) 5.869 13.167 ( -4.756 2.433 1.583) 5.572 13.254 ( -6.162 -1.074 -2.029) 6.576 13.296 ( -8.603 -6.726 -6.574) 12.746 13.635 ( 2.979 1.747 5.334) 6.355 13.755 ( 2.548 2.621 -5.763) 6.824 14.009 ( -0.427 -2.568 11.990) 12.269 14.165 ( 0.574 -3.055 -0.200) 3.115 14.594 ( -6.017 -2.416 14.782) 16.142 14.706 ( -3.822 4.327 15.260) 16.315 15.079 ( -0.049 -5.895 -22.813) 23.563 15.136 ( 1.003 -0.771 -19.175) 19.216 16.573 ( 2.768 6.015 11.696) 13.440 16.729 ( -1.969 -8.086 9.210) 12.413 16.811 ( 1.992 3.808 -4.203) 6.012 16.905 ( 1.047 -1.123 -2.122) 2.619 17.010 ( 0.452 3.041 1.577) 3.455 17.168 ( -1.634 -5.430 11.868) 13.153 17.299 ( 3.642 5.731 -16.511) 17.853 17.501 ( -1.068 -5.392 -16.000) 16.918 18.381 ( 5.614 1.555 6.398) 8.653 18.427 ( 5.597 -1.623 7.397) 9.417 18.527 ( 6.892 1.821 -6.424) 9.596 18.560 ( 7.187 -0.519 -2.233) 7.544 18.821 ( -0.347 4.768 0.274) 4.789 18.862 ( -0.719 5.367 -4.742) 7.197 18.933 ( -0.918 -1.416 -2.845) 3.308 18.944 ( -1.688 0.142 -0.983) 1.958 19.037 ( 0.330 -5.241 -2.506) 5.819 19.119 ( 3.533 -1.547 -9.561) 10.310 19.318 ( 4.548 -3.116 3.106) 6.328 19.436 ( 4.451 -2.274 -3.622) 6.173 19.514 ( -5.159 3.195 2.395) 6.524 19.661 ( -4.214 2.767 -7.371) 8.931 19.963 ( -6.805 -2.027 6.409) 9.565 20.049 ( -2.193 0.343 -0.733) 2.338 20.276 ( -2.808 0.156 5.442) 6.126 20.292 ( -2.343 -1.276 4.884) 5.565 20.338 ( -2.498 0.841 0.051) 2.636 20.372 ( -1.998 -0.234 -2.467) 3.184 20.541 ( 3.747 -1.169 -0.018) 3.926 20.589 ( 0.756 -1.180 -4.655) 4.862 20.740 ( -1.161 -0.609 0.240) 1.333 20.757 ( -0.597 -0.763 -1.609) 1.878 20.880 ( -0.155 0.799 3.390) 3.486 20.900 ( -0.525 -0.078 3.790) 3.827 20.962 ( -0.309 -0.624 -1.683) 1.821 20.983 ( -0.765 -1.315 -1.663) 2.254 21.498 ( 1.212 4.367 8.638) 9.755 21.553 ( -0.346 -0.208 6.913) 6.925 21.652 ( 0.198 1.178 -4.208) 4.374 21.661 ( -0.930 0.601 -1.861) 2.165 28.093 ( 0.696 2.157 3.111) 3.849 28.155 ( -0.936 -0.580 1.392) 1.775 28.165 ( -0.004 1.133 -2.002) 2.300 28.193 ( -1.302 -0.919 -1.415) 2.132 28.296 ( 0.610 0.149 0.543) 0.830 28.339 ( 1.814 -0.869 -2.702) 3.369 28.355 ( 0.107 -0.335 2.274) 2.301 28.405 ( 0.433 -0.347 -2.030) 2.105 37.066 ( 8.264 3.430 3.043) 9.451 37.097 ( 5.969 2.069 0.011) 6.317 37.115 ( 7.015 -0.176 5.233) 8.753 37.220 ( 9.703 2.874 -3.612) 10.745 37.344 ( -1.169 0.535 2.477) 2.790 37.383 ( 0.857 3.632 -1.063) 3.880 37.560 ( 3.598 -2.984 1.205) 4.827 37.584 ( 4.261 -1.780 -0.654) 4.664 37.941 ( -4.897 1.542 14.732) 15.601 38.042 ( -2.014 3.129 15.848) 16.279 38.240 ( -4.149 6.720 -11.046) 13.579 38.389 ( -2.074 1.096 -14.673) 14.859 38.869 ( -15.377 -3.583 6.579) 17.105 39.022 ( -14.991 -3.473 -2.715) 15.626 39.112 ( -16.657 -7.149 -0.663) 18.139 39.203 ( -16.068 -5.958 -5.220) 17.915 ======================= Grid point 87 (36/36) ======================= q-point: ( 0.43 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.640 4.915 12.384) 15.880 1.681 ( -3.955 -8.493 8.638) 12.744 1.756 ( 6.596 3.441 -8.341) 11.177 1.851 ( -0.842 0.727 -6.415) 6.511 1.973 ( 0.838 2.821 2.941) 4.160 1.998 ( -0.642 1.938 3.415) 3.979 2.045 ( -0.580 1.208 -1.710) 2.172 2.061 ( -1.596 -0.150 1.431) 2.149 2.094 ( 1.009 -1.043 2.423) 2.824 2.099 ( 0.147 3.661 -0.651) 3.722 2.147 ( 0.783 1.334 -2.644) 3.063 2.166 ( -1.126 0.648 -2.752) 3.043 2.273 ( 0.901 -1.060 0.082) 1.394 2.280 ( 0.303 -1.192 -0.450) 1.310 2.355 ( -6.184 -2.400 0.631) 6.663 2.373 ( -7.184 -1.265 -0.956) 7.357 2.675 ( 2.612 1.365 8.362) 8.866 2.725 ( -2.176 -0.519 7.888) 8.200 2.789 ( 2.669 2.283 -1.409) 3.785 2.837 ( -1.785 1.901 -2.014) 3.295 2.963 ( 2.350 -2.156 3.183) 4.505 3.002 ( -1.014 -2.952 4.114) 5.164 3.070 ( 2.595 -2.405 -6.972) 7.818 3.117 ( -1.456 -2.694 -6.507) 7.192 4.198 ( 3.607 3.279 7.380) 8.844 4.266 ( -2.548 1.187 7.696) 8.194 4.336 ( 4.171 3.796 -4.765) 7.383 4.395 ( -1.067 2.551 -4.173) 5.006 4.631 ( 4.790 -1.845 3.663) 6.306 4.685 ( -0.339 -4.919 4.775) 6.864 4.794 ( 5.327 -3.348 -11.605) 13.201 4.864 ( -1.092 -3.934 -11.588) 12.286 5.553 ( 2.301 -1.034 17.740) 17.918 5.610 ( -3.161 -4.349 19.227) 19.964 5.810 ( 3.153 1.982 -3.723) 5.266 5.854 ( -1.218 -2.664 -2.190) 3.657 6.076 ( 2.754 1.634 5.681) 6.522 6.115 ( -0.363 0.411 6.066) 6.091 6.181 ( 2.887 -1.109 -1.093) 3.280 6.259 ( -4.603 -1.167 -2.982) 5.608 6.569 ( 7.432 1.036 2.744) 7.990 6.729 ( 5.130 1.803 -2.940) 6.181 6.738 ( -0.008 1.392 0.404) 1.449 7.004 ( -12.929 2.936 -12.823) 18.444 7.470 ( 1.936 2.562 6.035) 6.836 7.539 ( -4.434 -1.958 4.527) 6.632 7.650 ( -1.085 1.152 -6.972) 7.150 7.655 ( -1.436 0.800 -13.356) 13.456 8.009 ( 8.721 -1.953 0.884) 8.981 8.136 ( 6.131 1.137 -6.896) 9.297 8.181 ( -7.201 0.903 4.896) 8.755 8.308 ( -7.479 1.453 -4.053) 8.630 8.562 ( 4.097 2.744 -3.170) 5.863 8.589 ( 0.963 2.211 -4.208) 4.850 8.655 ( -2.478 1.035 -2.854) 3.918 8.723 ( -8.166 0.689 -8.804) 12.028 9.158 ( 11.484 -4.658 3.272) 12.818 9.222 ( 6.523 -3.134 -2.734) 7.736 9.278 ( 0.330 -3.507 4.172) 5.461 9.339 ( -5.299 -3.906 -1.344) 6.718 9.739 ( 9.649 7.262 8.701) 14.884 9.892 ( 4.118 5.486 -2.912) 7.452 9.938 ( -7.912 2.800 3.759) 9.196 9.962 ( -1.750 0.359 2.607) 3.160 10.094 ( 4.071 1.061 6.137) 7.441 10.187 ( -2.699 1.401 5.328) 6.135 10.223 ( 4.660 -0.480 -5.988) 7.603 10.289 ( -1.517 -1.699 -3.397) 4.090 10.517 ( 6.381 5.620 -0.430) 8.514 10.557 ( 4.902 6.630 -2.148) 8.520 10.660 ( -3.218 2.307 1.194) 4.136 10.712 ( 3.532 -2.838 0.218) 4.536 10.768 ( -5.551 6.306 -5.232) 9.897 10.827 ( 4.469 -8.532 -4.329) 10.560 10.951 ( -9.633 -13.421 1.489) 16.587 11.069 ( -10.927 -14.354 -7.500) 19.537 11.448 ( 6.173 3.845 2.206) 7.600 11.487 ( 4.469 3.296 -1.533) 5.761 11.533 ( -2.390 1.152 4.237) 4.999 11.614 ( -6.172 0.557 -2.842) 6.818 11.789 ( 4.865 -0.011 8.343) 9.658 11.928 ( -8.039 -0.943 10.581) 13.322 11.945 ( 7.838 0.864 -6.068) 9.950 12.121 ( -8.526 1.193 -6.289) 10.661 12.366 ( 6.091 5.635 8.146) 11.627 12.475 ( 8.343 5.717 -0.377) 10.121 12.497 ( -4.999 2.833 8.603) 10.346 12.594 ( 2.964 5.062 2.964) 6.572 12.670 ( 1.217 0.991 -0.439) 1.630 12.798 ( -1.240 2.463 -0.861) 2.888 12.847 ( 0.729 -3.140 -3.847) 5.019 12.972 ( -7.178 0.883 -5.846) 9.299 13.050 ( 0.714 -3.600 2.792) 4.611 13.092 ( -1.598 -3.760 0.340) 4.099 13.147 ( -4.590 -4.510 -2.332) 6.845 13.155 ( -5.174 -6.246 -3.622) 8.882 13.751 ( 7.739 0.974 6.316) 10.037 13.862 ( 7.208 2.515 -2.334) 7.983 13.921 ( -6.368 -2.444 7.345) 10.024 14.059 ( -9.246 -0.832 -3.312) 9.857 14.571 ( 2.438 -3.642 22.254) 22.681 14.635 ( -3.309 -0.709 21.548) 21.813 15.096 ( 1.612 -2.518 -25.642) 25.816 15.130 ( -1.354 -0.834 -23.821) 23.874 16.633 ( 2.919 0.169 11.289) 11.661 16.686 ( -2.304 -4.926 10.615) 11.926 16.862 ( 2.658 1.316 -7.253) 7.836 16.905 ( -1.311 -2.436 -7.959) 8.426 17.046 ( 3.090 2.882 10.952) 11.739 17.116 ( -3.313 -1.194 13.275) 13.734 17.380 ( 4.112 2.878 -16.491) 17.238 17.457 ( -3.152 -0.545 -16.049) 16.365 18.479 ( 3.417 0.892 6.696) 7.570 18.503 ( 1.327 -0.622 7.241) 7.387 18.639 ( 3.827 2.351 -6.723) 8.086 18.665 ( 2.107 0.618 -5.317) 5.753 18.817 ( 0.454 1.904 2.437) 3.126 18.847 ( -1.444 -0.118 0.547) 1.548 18.913 ( 0.503 3.062 -3.046) 4.349 18.933 ( -0.665 1.035 -5.085) 5.232 19.089 ( 5.026 -2.349 0.957) 5.630 19.218 ( -0.344 1.410 -2.079) 2.535 19.247 ( -0.799 -0.658 -4.095) 4.224 19.392 ( -7.763 1.913 -8.908) 11.970 19.579 ( 9.564 -2.757 6.535) 11.907 19.748 ( 9.388 -1.595 -8.714) 12.908 19.785 ( -9.988 -2.725 7.445) 12.753 19.939 ( -8.228 -0.578 -6.149) 10.288 20.237 ( -0.594 -0.410 5.254) 5.303 20.250 ( -1.635 -0.746 5.272) 5.570 20.308 ( -0.171 0.270 -1.334) 1.372 20.329 ( -1.950 0.070 -2.156) 2.908 20.626 ( 4.095 -1.245 -0.485) 4.308 20.642 ( 3.708 -1.252 -2.251) 4.515 20.698 ( -2.905 -1.041 0.061) 3.086 20.717 ( -3.158 -1.238 -1.886) 3.881 20.881 ( 0.301 0.553 3.779) 3.831 20.890 ( -0.492 0.153 3.984) 4.018 20.958 ( 0.078 0.122 -2.343) 2.348 20.967 ( -0.735 -0.291 -2.156) 2.296 21.523 ( 1.219 2.362 8.609) 9.010 21.544 ( -0.692 0.513 7.935) 7.982 21.647 ( -0.220 2.193 -2.314) 3.195 21.650 ( -0.302 1.431 -2.747) 3.112 28.110 ( 0.936 1.010 2.396) 2.764 28.132 ( -1.173 0.067 1.843) 2.185 28.167 ( 0.231 0.756 -2.468) 2.591 28.175 ( -0.563 -0.091 -2.106) 2.181 28.318 ( 1.363 -0.108 2.096) 2.503 28.344 ( -0.976 -0.111 2.653) 2.829 28.377 ( 1.601 -0.546 -2.877) 3.338 28.402 ( -0.761 -0.296 -2.471) 2.602 37.188 ( 3.333 1.040 3.260) 4.776 37.213 ( 2.367 1.535 6.030) 6.658 37.218 ( 4.748 1.202 1.742) 5.198 37.304 ( -2.876 1.250 0.521) 3.179 37.433 ( 9.923 4.732 -1.085) 11.047 37.460 ( 7.179 4.661 -2.038) 8.798 37.577 ( -3.235 1.516 0.985) 3.706 37.607 ( -4.203 2.174 -1.702) 5.029 37.902 ( 2.723 -1.022 14.252) 14.545 37.988 ( -3.671 -0.007 14.753) 15.203 38.219 ( 3.030 -0.130 -13.673) 14.006 38.330 ( -5.079 -1.752 -15.991) 16.870 38.653 ( -2.528 -3.775 8.036) 9.231 38.780 ( -11.773 -2.947 5.213) 13.209 38.825 ( -4.830 -3.222 -6.671) 8.844 38.910 ( -11.049 -3.663 -5.653) 12.941 =================== 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 3/29400 10.0 1094.373 635.106 728.568 0.000 0.000 -0.000 3/29400 20.0 172.220 205.706 220.485 0.000 0.000 0.000 3/29400 30.0 79.218 108.352 116.449 0.000 0.000 0.000 3/29400 40.0 47.865 67.627 71.257 0.000 0.000 0.000 3/29400 50.0 32.862 46.714 48.671 0.000 0.000 0.000 3/29400 60.0 24.333 34.502 35.823 0.000 0.000 0.000 3/29400 70.0 18.920 26.669 27.737 0.000 0.000 0.000 3/29400 80.0 15.229 21.311 22.268 0.000 0.000 0.000 3/29400 90.0 12.591 17.480 18.380 0.000 0.000 0.000 3/29400 100.0 10.640 14.651 15.512 0.000 0.000 0.000 3/29400 110.0 9.158 12.509 13.336 0.000 0.000 0.000 3/29400 120.0 8.007 10.850 11.646 0.000 0.000 0.000 3/29400 130.0 7.094 9.542 10.307 0.000 0.000 0.000 3/29400 140.0 6.358 8.492 9.227 0.000 0.000 0.000 3/29400 150.0 5.755 7.637 8.344 0.000 0.000 0.000 3/29400 160.0 5.253 6.929 7.610 0.000 0.000 0.000 3/29400 170.0 4.831 6.337 6.992 0.000 0.000 0.000 3/29400 180.0 4.471 5.835 6.467 0.000 0.000 0.000 3/29400 190.0 4.162 5.406 6.016 0.000 0.000 0.000 3/29400 200.0 3.893 5.034 5.625 0.000 0.000 0.000 3/29400 210.0 3.657 4.711 5.282 0.000 0.000 0.000 3/29400 220.0 3.449 4.427 4.980 0.000 0.000 0.000 3/29400 230.0 3.264 4.175 4.712 0.000 0.000 0.000 3/29400 240.0 3.098 3.951 4.472 0.000 0.000 0.000 3/29400 250.0 2.949 3.750 4.257 0.000 0.000 0.000 3/29400 260.0 2.815 3.569 4.062 0.000 0.000 0.000 3/29400 270.0 2.692 3.405 3.885 0.000 0.000 0.000 3/29400 280.0 2.580 3.256 3.724 0.000 0.000 0.000 3/29400 290.0 2.478 3.120 3.576 0.000 0.000 0.000 3/29400 300.0 2.384 2.995 3.440 0.000 0.000 0.000 3/29400 310.0 2.297 2.881 3.314 0.000 0.000 0.000 3/29400 320.0 2.216 2.775 3.198 0.000 0.000 0.000 3/29400 330.0 2.141 2.676 3.090 0.000 0.000 0.000 3/29400 340.0 2.072 2.585 2.989 0.000 0.000 0.000 3/29400 350.0 2.007 2.500 2.896 0.000 0.000 0.000 3/29400 360.0 1.946 2.421 2.808 0.000 0.000 0.000 3/29400 370.0 1.889 2.346 2.725 0.000 0.000 0.000 3/29400 380.0 1.835 2.277 2.648 0.000 0.000 0.000 3/29400 390.0 1.785 2.211 2.575 0.000 0.000 0.000 3/29400 400.0 1.737 2.150 2.506 0.000 0.000 0.000 3/29400 410.0 1.692 2.091 2.441 0.000 0.000 0.000 3/29400 420.0 1.649 2.036 2.379 0.000 0.000 0.000 3/29400 430.0 1.609 1.984 2.320 0.000 0.000 0.000 3/29400 440.0 1.571 1.935 2.265 0.000 0.000 0.000 3/29400 450.0 1.534 1.888 2.212 0.000 0.000 0.000 3/29400 460.0 1.499 1.843 2.162 0.000 0.000 0.000 3/29400 470.0 1.466 1.801 2.114 0.000 0.000 0.000 3/29400 480.0 1.435 1.761 2.068 0.000 0.000 0.000 3/29400 490.0 1.404 1.722 2.024 0.000 0.000 0.000 3/29400 500.0 1.375 1.685 1.982 0.000 0.000 0.000 3/29400 510.0 1.348 1.650 1.942 0.000 0.000 0.000 3/29400 520.0 1.321 1.616 1.903 0.000 0.000 0.000 3/29400 530.0 1.296 1.584 1.866 0.000 0.000 0.000 3/29400 540.0 1.271 1.553 1.831 0.000 0.000 0.000 3/29400 550.0 1.248 1.523 1.797 0.000 0.000 0.000 3/29400 560.0 1.225 1.494 1.764 0.000 0.000 0.000 3/29400 570.0 1.203 1.467 1.732 0.000 0.000 0.000 3/29400 580.0 1.182 1.440 1.702 0.000 0.000 0.000 3/29400 590.0 1.162 1.414 1.673 0.000 0.000 0.000 3/29400 600.0 1.143 1.390 1.644 0.000 0.000 0.000 3/29400 610.0 1.124 1.366 1.617 0.000 0.000 0.000 3/29400 620.0 1.106 1.343 1.590 0.000 0.000 0.000 3/29400 630.0 1.088 1.321 1.565 0.000 0.000 0.000 3/29400 640.0 1.071 1.299 1.540 0.000 0.000 0.000 3/29400 650.0 1.054 1.279 1.516 0.000 0.000 0.000 3/29400 660.0 1.038 1.259 1.493 0.000 0.000 0.000 3/29400 670.0 1.023 1.239 1.471 0.000 0.000 0.000 3/29400 680.0 1.008 1.220 1.449 0.000 0.000 0.000 3/29400 690.0 0.993 1.202 1.428 0.000 0.000 0.000 3/29400 700.0 0.979 1.185 1.407 0.000 0.000 0.000 3/29400 710.0 0.966 1.167 1.387 0.000 0.000 0.000 3/29400 720.0 0.952 1.151 1.368 0.000 0.000 0.000 3/29400 730.0 0.939 1.135 1.349 0.000 0.000 0.000 3/29400 740.0 0.927 1.119 1.331 0.000 0.000 0.000 3/29400 750.0 0.914 1.104 1.313 0.000 0.000 0.000 3/29400 760.0 0.902 1.089 1.296 0.000 0.000 0.000 3/29400 770.0 0.891 1.074 1.279 0.000 0.000 0.000 3/29400 780.0 0.880 1.060 1.262 0.000 0.000 0.000 3/29400 790.0 0.869 1.047 1.246 0.000 0.000 0.000 3/29400 800.0 0.858 1.033 1.231 0.000 0.000 0.000 3/29400 810.0 0.847 1.020 1.216 0.000 0.000 0.000 3/29400 820.0 0.837 1.008 1.201 0.000 0.000 0.000 3/29400 830.0 0.827 0.995 1.186 0.000 0.000 0.000 3/29400 840.0 0.817 0.983 1.172 0.000 0.000 0.000 3/29400 850.0 0.808 0.971 1.159 0.000 0.000 0.000 3/29400 860.0 0.799 0.960 1.145 0.000 0.000 0.000 3/29400 870.0 0.790 0.949 1.132 0.000 0.000 0.000 3/29400 880.0 0.781 0.938 1.119 0.000 0.000 0.000 3/29400 890.0 0.772 0.927 1.107 0.000 0.000 0.000 3/29400 900.0 0.764 0.917 1.095 0.000 0.000 0.000 3/29400 910.0 0.755 0.907 1.083 0.000 0.000 0.000 3/29400 920.0 0.747 0.897 1.071 0.000 0.000 0.000 3/29400 930.0 0.739 0.887 1.059 0.000 0.000 0.000 3/29400 940.0 0.732 0.877 1.048 0.000 0.000 0.000 3/29400 950.0 0.724 0.868 1.037 0.000 0.000 0.000 3/29400 960.0 0.717 0.859 1.027 0.000 0.000 0.000 3/29400 970.0 0.709 0.850 1.016 0.000 0.000 0.000 3/29400 980.0 0.702 0.841 1.006 0.000 0.000 0.000 3/29400 990.0 0.695 0.833 0.996 0.000 0.000 0.000 3/29400 1000.0 0.689 0.824 0.986 0.000 0.000 0.000 3/29400 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|