----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:12:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.609023980000000 Atomic positions (fractional): *1 O 0.36560945317195 0.05072896297775 0.50000000000000 15.999 2 O 0.63439054682805 0.94927103702225 0.50000000000000 15.999 3 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 4 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 *5 O 0.15047107149845 0.54944913525934 0.50000000000000 15.999 6 O 0.84952892850155 0.45055086474066 0.50000000000000 15.999 7 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 8 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 *9 O 0.78676795421752 0.27421744069500 0.75236863670923 15.999 10 O 0.21323204578248 0.72578255930500 0.75236863670923 15.999 11 O 0.28676795421752 0.22578255930500 0.74763136329077 15.999 12 O 0.71323204578248 0.77421744069500 0.74763136329077 15.999 13 O 0.21323204578248 0.72578255930500 0.24763136329077 15.999 14 O 0.78676795421752 0.27421744069500 0.24763136329077 15.999 *15 O 0.19745965171306 0.97575670442913 0.26481603879586 15.999 16 O 0.71323204578248 0.77421744069500 0.25236863670923 15.999 *17 O 0.55759802250393 0.10247097688103 0.75490817724903 15.999 18 O 0.44240197749607 0.89752902311897 0.75490817724903 15.999 19 O 0.05759802250393 0.39752902311897 0.74509182275097 15.999 20 O 0.94240197749607 0.60247097688103 0.74509182275097 15.999 21 O 0.44240197749607 0.89752902311897 0.24509182275097 15.999 22 O 0.55759802250393 0.10247097688103 0.24509182275097 15.999 23 O 0.94240197749607 0.60247097688103 0.25490817724903 15.999 24 O 0.05759802250393 0.39752902311897 0.25490817724903 15.999 25 O 0.80254034828694 0.02424329557087 0.73518396120414 15.999 26 O 0.19745965171306 0.97575670442913 0.73518396120414 15.999 27 O 0.30254034828694 0.47575670442913 0.76481603879586 15.999 28 O 0.69745965171306 0.52424329557087 0.76481603879586 15.999 29 O 0.30254034828694 0.47575670442913 0.23518396120414 15.999 30 O 0.69745965171306 0.52424329557087 0.23518396120414 15.999 31 O 0.80254034828694 0.02424329557087 0.26481603879586 15.999 32 O 0.28676795421752 0.22578255930500 0.25236863670923 15.999 *33 Se 0.98064019876114 0.83508483636932 0.50000000000000 78.960 34 Se 0.01935980123886 0.16491516363067 0.50000000000000 78.960 35 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 36 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 *37 Se 0.47577772086460 0.63846331277928 0.50000000000000 78.960 38 Se 0.52422227913540 0.36153668722072 0.50000000000000 78.960 39 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 40 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 *41 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 42 Pr 0.71037674506415 0.15636383094792 0.50000000000000 140.908 43 Pr 0.28962325493585 0.84363616905207 0.50000000000000 140.908 *44 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 45 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 46 Pr 0.22757147698193 0.35150353095807 0.50000000000000 140.908 47 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 48 Pr 0.77242852301807 0.64849646904193 0.50000000000000 140.908 *49 Ta 0.13546044303279 0.58375547397346 0.24976409892253 180.948 50 Ta 0.86453955696721 0.41624452602654 0.24976409892253 180.948 51 Ta 0.63546044303279 0.91624452602654 0.25023590107747 180.948 52 Ta 0.36453955696721 0.08375547397346 0.25023590107747 180.948 53 Ta 0.63546044303279 0.91624452602654 0.74976409892253 180.948 54 Ta 0.13546044303279 0.58375547397346 0.75023590107747 180.948 55 Ta 0.86453955696721 0.41624452602654 0.75023590107747 180.948 *56 Ta 0.00000000000000 0.00000000000000 0.28559679415803 180.948 57 Ta 0.50000000000000 0.50000000000000 0.21440320584197 180.948 58 Ta 0.00000000000000 0.00000000000000 0.71440320584197 180.948 59 Ta 0.50000000000000 0.50000000000000 0.78559679415803 180.948 60 Ta 0.36453955696721 0.08375547397346 0.74976409892253 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.609023980000000 Atomic positions (fractional): *1 O 0.36560945317195 0.05072896297775 0.50000000000000 15.999 > 1 2 O 0.63439054682805 0.94927103702225 0.50000000000000 15.999 > 2 3 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 > 3 4 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 > 4 *5 O 0.15047107149845 0.54944913525934 0.50000000000000 15.999 > 5 6 O 0.84952892850155 0.45055086474066 0.50000000000000 15.999 > 6 7 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 > 7 8 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 > 8 *9 O 0.78676795421752 0.27421744069500 0.75236863670923 15.999 > 9 10 O 0.21323204578248 0.72578255930500 0.75236863670923 15.999 > 10 11 O 0.28676795421752 0.22578255930500 0.74763136329077 15.999 > 11 12 O 0.71323204578248 0.77421744069500 0.74763136329077 15.999 > 12 13 O 0.21323204578248 0.72578255930500 0.24763136329077 15.999 > 13 14 O 0.78676795421752 0.27421744069500 0.24763136329077 15.999 > 14 *15 O 0.19745965171306 0.97575670442913 0.26481603879586 15.999 > 15 16 O 0.71323204578248 0.77421744069500 0.25236863670923 15.999 > 16 *17 O 0.55759802250393 0.10247097688103 0.75490817724903 15.999 > 17 18 O 0.44240197749607 0.89752902311897 0.75490817724903 15.999 > 18 19 O 0.05759802250393 0.39752902311897 0.74509182275097 15.999 > 19 20 O 0.94240197749607 0.60247097688103 0.74509182275097 15.999 > 20 21 O 0.44240197749607 0.89752902311897 0.24509182275097 15.999 > 21 22 O 0.55759802250393 0.10247097688103 0.24509182275097 15.999 > 22 23 O 0.94240197749607 0.60247097688103 0.25490817724903 15.999 > 23 24 O 0.05759802250393 0.39752902311897 0.25490817724903 15.999 > 24 25 O 0.80254034828694 0.02424329557087 0.73518396120414 15.999 > 25 26 O 0.19745965171306 0.97575670442913 0.73518396120414 15.999 > 26 27 O 0.30254034828694 0.47575670442913 0.76481603879586 15.999 > 27 28 O 0.69745965171306 0.52424329557087 0.76481603879586 15.999 > 28 29 O 0.30254034828694 0.47575670442913 0.23518396120414 15.999 > 29 30 O 0.69745965171306 0.52424329557087 0.23518396120414 15.999 > 30 31 O 0.80254034828694 0.02424329557087 0.26481603879586 15.999 > 31 32 O 0.28676795421752 0.22578255930500 0.25236863670923 15.999 > 32 *33 Se 0.98064019876114 0.83508483636932 0.50000000000000 78.960 > 33 34 Se 0.01935980123886 0.16491516363067 0.50000000000000 78.960 > 34 35 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 > 35 36 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 > 36 *37 Se 0.47577772086460 0.63846331277928 0.50000000000000 78.960 > 37 38 Se 0.52422227913540 0.36153668722072 0.50000000000000 78.960 > 38 39 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 > 39 40 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 > 40 *41 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 > 41 42 Pr 0.71037674506415 0.15636383094792 0.50000000000000 140.908 > 42 43 Pr 0.28962325493585 0.84363616905207 0.50000000000000 140.908 > 43 *44 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 > 44 45 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 > 45 46 Pr 0.22757147698193 0.35150353095807 0.50000000000000 140.908 > 46 47 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 > 47 48 Pr 0.77242852301807 0.64849646904193 0.50000000000000 140.908 > 48 *49 Ta 0.13546044303279 0.58375547397346 0.24976409892253 180.948 > 49 50 Ta 0.86453955696721 0.41624452602654 0.24976409892253 180.948 > 50 51 Ta 0.63546044303279 0.91624452602654 0.25023590107747 180.948 > 51 52 Ta 0.36453955696721 0.08375547397346 0.25023590107747 180.948 > 52 53 Ta 0.63546044303279 0.91624452602654 0.74976409892253 180.948 > 53 54 Ta 0.13546044303279 0.58375547397346 0.75023590107747 180.948 > 54 55 Ta 0.86453955696721 0.41624452602654 0.75023590107747 180.948 > 55 *56 Ta 0.00000000000000 0.00000000000000 0.28559679415803 180.948 > 56 57 Ta 0.50000000000000 0.50000000000000 0.21440320584197 180.948 > 57 58 Ta 0.00000000000000 0.00000000000000 0.71440320584197 180.948 > 58 59 Ta 0.50000000000000 0.50000000000000 0.78559679415803 180.948 > 59 60 Ta 0.36453955696721 0.08375547397346 0.74976409892253 180.948 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.218047960000000 Atomic positions (fractional): *1 O 0.36560945317195 0.05072896297775 0.25000000000000 15.999 > 1 2 O 0.36560945317195 0.05072896297775 0.75000000000000 15.999 > 1 3 O 0.63439054682805 0.94927103702225 0.25000000000000 15.999 > 2 4 O 0.63439054682805 0.94927103702225 0.75000000000000 15.999 > 2 5 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 > 3 6 O 0.86560945317195 0.44927103702225 0.50000000000000 15.999 > 3 7 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 > 4 8 O 0.13439054682805 0.55072896297775 0.50000000000000 15.999 > 4 *9 O 0.15047107149845 0.54944913525934 0.25000000000000 15.999 > 5 10 O 0.15047107149845 0.54944913525934 0.75000000000000 15.999 > 5 11 O 0.84952892850155 0.45055086474066 0.25000000000000 15.999 > 6 12 O 0.84952892850155 0.45055086474066 0.75000000000000 15.999 > 6 13 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 > 7 14 O 0.65047107149845 0.95055086474066 0.50000000000000 15.999 > 7 15 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 > 8 16 O 0.34952892850155 0.04944913525934 0.50000000000000 15.999 > 8 *17 O 0.78676795421752 0.27421744069500 0.37618431835462 15.999 > 9 18 O 0.78676795421752 0.27421744069500 0.87618431835462 15.999 > 9 19 O 0.21323204578248 0.72578255930500 0.37618431835462 15.999 > 10 20 O 0.21323204578248 0.72578255930500 0.87618431835462 15.999 > 10 21 O 0.28676795421752 0.22578255930500 0.37381568164538 15.999 > 11 22 O 0.28676795421752 0.22578255930500 0.87381568164538 15.999 > 11 23 O 0.71323204578248 0.77421744069500 0.37381568164538 15.999 > 12 24 O 0.71323204578248 0.77421744069500 0.87381568164538 15.999 > 12 25 O 0.21323204578248 0.72578255930500 0.12381568164538 15.999 > 13 26 O 0.21323204578248 0.72578255930500 0.62381568164538 15.999 > 13 27 O 0.78676795421752 0.27421744069500 0.12381568164538 15.999 > 14 28 O 0.78676795421752 0.27421744069500 0.62381568164538 15.999 > 14 *29 O 0.19745965171306 0.97575670442913 0.13240801939793 15.999 > 15 30 O 0.19745965171306 0.97575670442913 0.63240801939793 15.999 > 15 31 O 0.71323204578248 0.77421744069500 0.12618431835462 15.999 > 16 32 O 0.71323204578248 0.77421744069500 0.62618431835462 15.999 > 16 *33 O 0.55759802250393 0.10247097688103 0.37745408862451 15.999 > 17 34 O 0.55759802250393 0.10247097688103 0.87745408862451 15.999 > 17 35 O 0.44240197749607 0.89752902311897 0.37745408862451 15.999 > 18 36 O 0.44240197749607 0.89752902311897 0.87745408862451 15.999 > 18 37 O 0.05759802250393 0.39752902311897 0.37254591137549 15.999 > 19 38 O 0.05759802250393 0.39752902311897 0.87254591137549 15.999 > 19 39 O 0.94240197749607 0.60247097688103 0.37254591137549 15.999 > 20 40 O 0.94240197749607 0.60247097688103 0.87254591137549 15.999 > 20 41 O 0.44240197749607 0.89752902311897 0.12254591137549 15.999 > 21 42 O 0.44240197749607 0.89752902311897 0.62254591137549 15.999 > 21 43 O 0.55759802250393 0.10247097688103 0.12254591137549 15.999 > 22 44 O 0.55759802250393 0.10247097688103 0.62254591137549 15.999 > 22 45 O 0.94240197749607 0.60247097688103 0.12745408862451 15.999 > 23 46 O 0.94240197749607 0.60247097688103 0.62745408862451 15.999 > 23 47 O 0.05759802250393 0.39752902311897 0.12745408862451 15.999 > 24 48 O 0.05759802250393 0.39752902311897 0.62745408862451 15.999 > 24 49 O 0.80254034828694 0.02424329557087 0.36759198060207 15.999 > 25 50 O 0.80254034828694 0.02424329557087 0.86759198060207 15.999 > 25 51 O 0.19745965171306 0.97575670442913 0.36759198060207 15.999 > 26 52 O 0.19745965171306 0.97575670442913 0.86759198060207 15.999 > 26 53 O 0.30254034828694 0.47575670442913 0.38240801939793 15.999 > 27 54 O 0.30254034828694 0.47575670442913 0.88240801939793 15.999 > 27 55 O 0.69745965171306 0.52424329557087 0.38240801939793 15.999 > 28 56 O 0.69745965171306 0.52424329557087 0.88240801939793 15.999 > 28 57 O 0.30254034828694 0.47575670442913 0.11759198060207 15.999 > 29 58 O 0.30254034828694 0.47575670442913 0.61759198060207 15.999 > 29 59 O 0.69745965171306 0.52424329557087 0.11759198060207 15.999 > 30 60 O 0.69745965171306 0.52424329557087 0.61759198060207 15.999 > 30 61 O 0.80254034828694 0.02424329557087 0.13240801939793 15.999 > 31 62 O 0.80254034828694 0.02424329557087 0.63240801939793 15.999 > 31 63 O 0.28676795421752 0.22578255930500 0.12618431835462 15.999 > 32 64 O 0.28676795421752 0.22578255930500 0.62618431835462 15.999 > 32 *65 Se 0.98064019876114 0.83508483636932 0.25000000000000 78.960 > 33 66 Se 0.98064019876114 0.83508483636932 0.75000000000000 78.960 > 33 67 Se 0.01935980123886 0.16491516363067 0.25000000000000 78.960 > 34 68 Se 0.01935980123886 0.16491516363067 0.75000000000000 78.960 > 34 69 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 > 35 70 Se 0.48064019876114 0.66491516363068 0.50000000000000 78.960 > 35 71 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 > 36 72 Se 0.51935980123886 0.33508483636933 0.50000000000000 78.960 > 36 *73 Se 0.47577772086460 0.63846331277928 0.25000000000000 78.960 > 37 74 Se 0.47577772086460 0.63846331277928 0.75000000000000 78.960 > 37 75 Se 0.52422227913540 0.36153668722072 0.25000000000000 78.960 > 38 76 Se 0.52422227913540 0.36153668722072 0.75000000000000 78.960 > 38 77 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 > 39 78 Se 0.97577772086460 0.86153668722072 0.50000000000000 78.960 > 39 79 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 > 40 80 Se 0.02422227913540 0.13846331277928 0.50000000000000 78.960 > 40 *81 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 > 41 82 Pr 0.78962325493585 0.65636383094793 0.50000000000000 140.908 > 41 83 Pr 0.71037674506415 0.15636383094792 0.25000000000000 140.908 > 42 84 Pr 0.71037674506415 0.15636383094792 0.75000000000000 140.908 > 42 85 Pr 0.28962325493585 0.84363616905207 0.25000000000000 140.908 > 43 86 Pr 0.28962325493585 0.84363616905207 0.75000000000000 140.908 > 43 *87 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 > 44 88 Pr 0.72757147698193 0.14849646904193 0.50000000000000 140.908 > 44 89 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 > 45 90 Pr 0.27242852301807 0.85150353095807 0.50000000000000 140.908 > 45 91 Pr 0.22757147698193 0.35150353095807 0.25000000000000 140.908 > 46 92 Pr 0.22757147698193 0.35150353095807 0.75000000000000 140.908 > 46 93 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 > 47 94 Pr 0.21037674506415 0.34363616905208 0.50000000000000 140.908 > 47 95 Pr 0.77242852301807 0.64849646904193 0.25000000000000 140.908 > 48 96 Pr 0.77242852301807 0.64849646904193 0.75000000000000 140.908 > 48 *97 Ta 0.13546044303279 0.58375547397346 0.12488204946127 180.948 > 49 98 Ta 0.13546044303279 0.58375547397346 0.62488204946127 180.948 > 49 99 Ta 0.86453955696721 0.41624452602654 0.12488204946127 180.948 > 50 100 Ta 0.86453955696721 0.41624452602654 0.62488204946127 180.948 > 50 101 Ta 0.63546044303279 0.91624452602654 0.12511795053873 180.948 > 51 102 Ta 0.63546044303279 0.91624452602654 0.62511795053873 180.948 > 51 103 Ta 0.36453955696721 0.08375547397346 0.12511795053873 180.948 > 52 104 Ta 0.36453955696721 0.08375547397346 0.62511795053873 180.948 > 52 105 Ta 0.63546044303279 0.91624452602654 0.37488204946127 180.948 > 53 106 Ta 0.63546044303279 0.91624452602654 0.87488204946127 180.948 > 53 107 Ta 0.13546044303279 0.58375547397346 0.37511795053873 180.948 > 54 108 Ta 0.13546044303279 0.58375547397346 0.87511795053873 180.948 > 54 109 Ta 0.86453955696721 0.41624452602654 0.37511795053873 180.948 > 55 110 Ta 0.86453955696721 0.41624452602654 0.87511795053873 180.948 > 55 *111 Ta 0.00000000000000 0.00000000000000 0.14279839707901 180.948 > 56 112 Ta 0.00000000000000 0.00000000000000 0.64279839707901 180.948 > 56 113 Ta 0.50000000000000 0.50000000000000 0.10720160292099 180.948 > 57 114 Ta 0.50000000000000 0.50000000000000 0.60720160292099 180.948 > 57 115 Ta 0.00000000000000 0.00000000000000 0.35720160292099 180.948 > 58 116 Ta 0.00000000000000 0.00000000000000 0.85720160292099 180.948 > 58 117 Ta 0.50000000000000 0.50000000000000 0.39279839707901 180.948 > 59 118 Ta 0.50000000000000 0.50000000000000 0.89279839707901 180.948 > 59 119 Ta 0.36453955696721 0.08375547397346 0.37488204946127 180.948 > 60 120 Ta 0.36453955696721 0.08375547397346 0.87488204946127 180.948 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2148047 0.0000000 0.0000000 0.0000000 6.2769219 0.0000000 0.0000000 0.0000000 7.6737477 -------------------------- Born effective charges -------------------------- 1 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 2 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 3 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 4 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 5 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 6 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 7 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 8 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 9 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 10 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 11 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 12 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 13 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 14 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 15 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 16 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 17 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 18 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 19 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 20 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 21 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 22 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 23 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 24 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 25 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 26 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 27 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 28 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 29 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 30 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 31 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 32 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 33 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 34 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 35 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 36 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 37 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 38 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 39 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 40 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 41 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 42 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 43 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 44 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 45 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 46 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 47 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 48 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 49 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 50 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 51 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 52 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 53 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 54 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 55 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 56 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 57 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 58 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 59 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 60 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4223 Number of blocks in projector: 4223 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: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4223, 4152), data: False |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (976, 954), data: False |-- (976, 18), data: (976, 40) @ (40, 18) |-- (476, 458), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.085 Solver_block: 200 / 960 - Time: 0.947 Solver_block: 300 / 960 - Time: 0.945 Solver_block: 400 / 960 - Time: 0.943 Solver_block: 500 / 960 - Time: 0.943 Solver_block: 600 / 960 - Time: 0.942 Solver_block: 700 / 960 - Time: 0.955 Solver_block: 800 / 960 - Time: 0.953 Solver_block: 900 / 960 - Time: 0.943 Solver_block: 960 / 960 - Time: 0.658 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.556 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4223 Number of blocks in projector: 4223 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: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 824 Use submatrix version of eigh solver. (1) Block: 500 / 824 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 824 / 824 (1) 316 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 533 Use submatrix version of eigh solver. (1) Block: 533 / 533 (2) Block: 250 / 533 (2) 239 eigenvectors found. (2) Block: 533 / 533 (2) 274 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 522 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4223, 4152), data: False |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (533, 522), data: False |-- (533, 522), data: False |-- (533, 9), data: (533, 20) @ (20, 9) |-- (283, 274), data: True |-- (250, 239), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (824, 816), data: False |-- (824, 8), data: (824, 16) @ (16, 8) |-- (324, 316), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (976, 954), data: False |-- (976, 18), data: (976, 40) @ (40, 18) |-- (476, 458), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:13:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:13:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.609023980000000 Atomic positions (fractional): 1 O 0.36560945317195 0.05072896297775 0.50000000000000 15.999 2 O 0.63439054682805 0.94927103702225 0.50000000000000 15.999 3 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 4 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 5 O 0.15047107149845 0.54944913525934 0.50000000000000 15.999 6 O 0.84952892850155 0.45055086474066 0.50000000000000 15.999 7 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 8 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 9 O 0.78676795421752 0.27421744069500 0.75236863670923 15.999 10 O 0.21323204578248 0.72578255930500 0.75236863670923 15.999 11 O 0.28676795421752 0.22578255930500 0.74763136329077 15.999 12 O 0.71323204578248 0.77421744069500 0.74763136329077 15.999 13 O 0.21323204578248 0.72578255930500 0.24763136329077 15.999 14 O 0.78676795421752 0.27421744069500 0.24763136329077 15.999 15 O 0.19745965171306 0.97575670442913 0.26481603879586 15.999 16 O 0.71323204578248 0.77421744069500 0.25236863670923 15.999 17 O 0.55759802250393 0.10247097688103 0.75490817724903 15.999 18 O 0.44240197749607 0.89752902311897 0.75490817724903 15.999 19 O 0.05759802250393 0.39752902311897 0.74509182275097 15.999 20 O 0.94240197749607 0.60247097688103 0.74509182275097 15.999 21 O 0.44240197749607 0.89752902311897 0.24509182275097 15.999 22 O 0.55759802250393 0.10247097688103 0.24509182275097 15.999 23 O 0.94240197749607 0.60247097688103 0.25490817724903 15.999 24 O 0.05759802250393 0.39752902311897 0.25490817724903 15.999 25 O 0.80254034828694 0.02424329557087 0.73518396120414 15.999 26 O 0.19745965171306 0.97575670442913 0.73518396120414 15.999 27 O 0.30254034828694 0.47575670442913 0.76481603879586 15.999 28 O 0.69745965171306 0.52424329557087 0.76481603879586 15.999 29 O 0.30254034828694 0.47575670442913 0.23518396120414 15.999 30 O 0.69745965171306 0.52424329557087 0.23518396120414 15.999 31 O 0.80254034828694 0.02424329557087 0.26481603879586 15.999 32 O 0.28676795421752 0.22578255930500 0.25236863670923 15.999 33 Se 0.98064019876114 0.83508483636932 0.50000000000000 78.960 34 Se 0.01935980123886 0.16491516363067 0.50000000000000 78.960 35 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 36 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 37 Se 0.47577772086460 0.63846331277928 0.50000000000000 78.960 38 Se 0.52422227913540 0.36153668722072 0.50000000000000 78.960 39 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 40 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 41 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 42 Pr 0.71037674506415 0.15636383094792 0.50000000000000 140.908 43 Pr 0.28962325493585 0.84363616905207 0.50000000000000 140.908 44 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 45 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 46 Pr 0.22757147698193 0.35150353095807 0.50000000000000 140.908 47 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 48 Pr 0.77242852301807 0.64849646904193 0.50000000000000 140.908 49 Ta 0.13546044303279 0.58375547397346 0.24976409892253 180.948 50 Ta 0.86453955696721 0.41624452602654 0.24976409892253 180.948 51 Ta 0.63546044303279 0.91624452602654 0.25023590107747 180.948 52 Ta 0.36453955696721 0.08375547397346 0.25023590107747 180.948 53 Ta 0.63546044303279 0.91624452602654 0.74976409892253 180.948 54 Ta 0.13546044303279 0.58375547397346 0.75023590107747 180.948 55 Ta 0.86453955696721 0.41624452602654 0.75023590107747 180.948 56 Ta 0.00000000000000 0.00000000000000 0.28559679415803 180.948 57 Ta 0.50000000000000 0.50000000000000 0.21440320584197 180.948 58 Ta 0.00000000000000 0.00000000000000 0.71440320584197 180.948 59 Ta 0.50000000000000 0.50000000000000 0.78559679415803 180.948 60 Ta 0.36453955696721 0.08375547397346 0.74976409892253 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.218047960000000 Atomic positions (fractional): 1 O 0.36560945317195 0.05072896297775 0.25000000000000 15.999 > 1 2 O 0.36560945317195 0.05072896297775 0.75000000000000 15.999 > 1 3 O 0.63439054682805 0.94927103702225 0.25000000000000 15.999 > 3 4 O 0.63439054682805 0.94927103702225 0.75000000000000 15.999 > 3 5 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 > 5 6 O 0.86560945317195 0.44927103702225 0.50000000000000 15.999 > 5 7 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 > 7 8 O 0.13439054682805 0.55072896297775 0.50000000000000 15.999 > 7 9 O 0.15047107149845 0.54944913525934 0.25000000000000 15.999 > 9 10 O 0.15047107149845 0.54944913525934 0.75000000000000 15.999 > 9 11 O 0.84952892850155 0.45055086474066 0.25000000000000 15.999 > 11 12 O 0.84952892850155 0.45055086474066 0.75000000000000 15.999 > 11 13 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 > 13 14 O 0.65047107149845 0.95055086474066 0.50000000000000 15.999 > 13 15 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 > 15 16 O 0.34952892850155 0.04944913525934 0.50000000000000 15.999 > 15 17 O 0.78676795421752 0.27421744069500 0.37618431835462 15.999 > 17 18 O 0.78676795421752 0.27421744069500 0.87618431835462 15.999 > 17 19 O 0.21323204578248 0.72578255930500 0.37618431835462 15.999 > 19 20 O 0.21323204578248 0.72578255930500 0.87618431835462 15.999 > 19 21 O 0.28676795421752 0.22578255930500 0.37381568164538 15.999 > 21 22 O 0.28676795421752 0.22578255930500 0.87381568164538 15.999 > 21 23 O 0.71323204578248 0.77421744069500 0.37381568164538 15.999 > 23 24 O 0.71323204578248 0.77421744069500 0.87381568164538 15.999 > 23 25 O 0.21323204578248 0.72578255930500 0.12381568164538 15.999 > 25 26 O 0.21323204578248 0.72578255930500 0.62381568164538 15.999 > 25 27 O 0.78676795421752 0.27421744069500 0.12381568164538 15.999 > 27 28 O 0.78676795421752 0.27421744069500 0.62381568164538 15.999 > 27 29 O 0.19745965171306 0.97575670442913 0.13240801939793 15.999 > 29 30 O 0.19745965171306 0.97575670442913 0.63240801939793 15.999 > 29 31 O 0.71323204578248 0.77421744069500 0.12618431835462 15.999 > 31 32 O 0.71323204578248 0.77421744069500 0.62618431835462 15.999 > 31 33 O 0.55759802250393 0.10247097688103 0.37745408862451 15.999 > 33 34 O 0.55759802250393 0.10247097688103 0.87745408862451 15.999 > 33 35 O 0.44240197749607 0.89752902311897 0.37745408862451 15.999 > 35 36 O 0.44240197749607 0.89752902311897 0.87745408862451 15.999 > 35 37 O 0.05759802250393 0.39752902311897 0.37254591137549 15.999 > 37 38 O 0.05759802250393 0.39752902311897 0.87254591137549 15.999 > 37 39 O 0.94240197749607 0.60247097688103 0.37254591137549 15.999 > 39 40 O 0.94240197749607 0.60247097688103 0.87254591137549 15.999 > 39 41 O 0.44240197749607 0.89752902311897 0.12254591137549 15.999 > 41 42 O 0.44240197749607 0.89752902311897 0.62254591137549 15.999 > 41 43 O 0.55759802250393 0.10247097688103 0.12254591137549 15.999 > 43 44 O 0.55759802250393 0.10247097688103 0.62254591137549 15.999 > 43 45 O 0.94240197749607 0.60247097688103 0.12745408862451 15.999 > 45 46 O 0.94240197749607 0.60247097688103 0.62745408862451 15.999 > 45 47 O 0.05759802250393 0.39752902311897 0.12745408862451 15.999 > 47 48 O 0.05759802250393 0.39752902311897 0.62745408862451 15.999 > 47 49 O 0.80254034828694 0.02424329557087 0.36759198060207 15.999 > 49 50 O 0.80254034828694 0.02424329557087 0.86759198060207 15.999 > 49 51 O 0.19745965171306 0.97575670442913 0.36759198060207 15.999 > 51 52 O 0.19745965171306 0.97575670442913 0.86759198060207 15.999 > 51 53 O 0.30254034828694 0.47575670442913 0.38240801939793 15.999 > 53 54 O 0.30254034828694 0.47575670442913 0.88240801939793 15.999 > 53 55 O 0.69745965171306 0.52424329557087 0.38240801939793 15.999 > 55 56 O 0.69745965171306 0.52424329557087 0.88240801939793 15.999 > 55 57 O 0.30254034828694 0.47575670442913 0.11759198060207 15.999 > 57 58 O 0.30254034828694 0.47575670442913 0.61759198060207 15.999 > 57 59 O 0.69745965171306 0.52424329557087 0.11759198060207 15.999 > 59 60 O 0.69745965171306 0.52424329557087 0.61759198060207 15.999 > 59 61 O 0.80254034828694 0.02424329557087 0.13240801939793 15.999 > 61 62 O 0.80254034828694 0.02424329557087 0.63240801939793 15.999 > 61 63 O 0.28676795421752 0.22578255930500 0.12618431835462 15.999 > 63 64 O 0.28676795421752 0.22578255930500 0.62618431835462 15.999 > 63 65 Se 0.98064019876114 0.83508483636932 0.25000000000000 78.960 > 65 66 Se 0.98064019876114 0.83508483636932 0.75000000000000 78.960 > 65 67 Se 0.01935980123886 0.16491516363067 0.25000000000000 78.960 > 67 68 Se 0.01935980123886 0.16491516363067 0.75000000000000 78.960 > 67 69 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 > 69 70 Se 0.48064019876114 0.66491516363068 0.50000000000000 78.960 > 69 71 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 > 71 72 Se 0.51935980123886 0.33508483636933 0.50000000000000 78.960 > 71 73 Se 0.47577772086460 0.63846331277928 0.25000000000000 78.960 > 73 74 Se 0.47577772086460 0.63846331277928 0.75000000000000 78.960 > 73 75 Se 0.52422227913540 0.36153668722072 0.25000000000000 78.960 > 75 76 Se 0.52422227913540 0.36153668722072 0.75000000000000 78.960 > 75 77 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 > 77 78 Se 0.97577772086460 0.86153668722072 0.50000000000000 78.960 > 77 79 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 > 79 80 Se 0.02422227913540 0.13846331277928 0.50000000000000 78.960 > 79 81 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 > 81 82 Pr 0.78962325493585 0.65636383094793 0.50000000000000 140.908 > 81 83 Pr 0.71037674506415 0.15636383094792 0.25000000000000 140.908 > 83 84 Pr 0.71037674506415 0.15636383094792 0.75000000000000 140.908 > 83 85 Pr 0.28962325493585 0.84363616905207 0.25000000000000 140.908 > 85 86 Pr 0.28962325493585 0.84363616905207 0.75000000000000 140.908 > 85 87 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 > 87 88 Pr 0.72757147698193 0.14849646904193 0.50000000000000 140.908 > 87 89 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 > 89 90 Pr 0.27242852301807 0.85150353095807 0.50000000000000 140.908 > 89 91 Pr 0.22757147698193 0.35150353095807 0.25000000000000 140.908 > 91 92 Pr 0.22757147698193 0.35150353095807 0.75000000000000 140.908 > 91 93 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 > 93 94 Pr 0.21037674506415 0.34363616905208 0.50000000000000 140.908 > 93 95 Pr 0.77242852301807 0.64849646904193 0.25000000000000 140.908 > 95 96 Pr 0.77242852301807 0.64849646904193 0.75000000000000 140.908 > 95 97 Ta 0.13546044303279 0.58375547397346 0.12488204946127 180.948 > 97 98 Ta 0.13546044303279 0.58375547397346 0.62488204946127 180.948 > 97 99 Ta 0.86453955696721 0.41624452602654 0.12488204946127 180.948 > 99 100 Ta 0.86453955696721 0.41624452602654 0.62488204946127 180.948 > 99 101 Ta 0.63546044303279 0.91624452602654 0.12511795053873 180.948 > 101 102 Ta 0.63546044303279 0.91624452602654 0.62511795053873 180.948 > 101 103 Ta 0.36453955696721 0.08375547397346 0.12511795053873 180.948 > 103 104 Ta 0.36453955696721 0.08375547397346 0.62511795053873 180.948 > 103 105 Ta 0.63546044303279 0.91624452602654 0.37488204946127 180.948 > 105 106 Ta 0.63546044303279 0.91624452602654 0.87488204946127 180.948 > 105 107 Ta 0.13546044303279 0.58375547397346 0.37511795053873 180.948 > 107 108 Ta 0.13546044303279 0.58375547397346 0.87511795053873 180.948 > 107 109 Ta 0.86453955696721 0.41624452602654 0.37511795053873 180.948 > 109 110 Ta 0.86453955696721 0.41624452602654 0.87511795053873 180.948 > 109 111 Ta 0.00000000000000 0.00000000000000 0.14279839707901 180.948 > 111 112 Ta 0.00000000000000 0.00000000000000 0.64279839707901 180.948 > 111 113 Ta 0.50000000000000 0.50000000000000 0.10720160292099 180.948 > 113 114 Ta 0.50000000000000 0.50000000000000 0.60720160292099 180.948 > 113 115 Ta 0.00000000000000 0.00000000000000 0.35720160292099 180.948 > 115 116 Ta 0.00000000000000 0.00000000000000 0.85720160292099 180.948 > 115 117 Ta 0.50000000000000 0.50000000000000 0.39279839707901 180.948 > 117 118 Ta 0.50000000000000 0.50000000000000 0.89279839707901 180.948 > 117 119 Ta 0.36453955696721 0.08375547397346 0.37488204946127 180.948 > 119 120 Ta 0.36453955696721 0.08375547397346 0.87488204946127 180.948 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2148047 0.0000000 0.0000000 0.0000000 6.2769219 0.0000000 0.0000000 0.0000000 7.6737477 -------------------------- Born effective charges -------------------------- 1 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 2 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 3 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 4 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 5 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 6 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 7 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 8 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 9 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 10 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 11 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 12 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 13 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 14 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 15 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 16 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 17 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 18 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 19 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 20 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 21 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 22 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 23 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 24 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 25 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 26 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 27 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 28 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 29 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 30 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 31 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 32 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 33 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 34 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 35 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 36 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 37 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 38 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 39 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 40 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 41 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 42 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 43 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 44 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 45 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 46 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 47 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 48 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 49 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 50 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 51 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 52 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 53 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 54 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 55 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 56 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 57 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 58 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 59 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 60 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 ---------------------------------------------------------------------------- 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[ 9, 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[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 87, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 111, 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 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:14:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.609023980000000 Atomic positions (fractional): 1 O 0.36560945317195 0.05072896297775 0.50000000000000 15.999 2 O 0.63439054682805 0.94927103702225 0.50000000000000 15.999 3 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 4 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 5 O 0.15047107149845 0.54944913525934 0.50000000000000 15.999 6 O 0.84952892850155 0.45055086474066 0.50000000000000 15.999 7 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 8 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 9 O 0.78676795421752 0.27421744069500 0.75236863670923 15.999 10 O 0.21323204578248 0.72578255930500 0.75236863670923 15.999 11 O 0.28676795421752 0.22578255930500 0.74763136329077 15.999 12 O 0.71323204578248 0.77421744069500 0.74763136329077 15.999 13 O 0.21323204578248 0.72578255930500 0.24763136329077 15.999 14 O 0.78676795421752 0.27421744069500 0.24763136329077 15.999 15 O 0.19745965171306 0.97575670442913 0.26481603879586 15.999 16 O 0.71323204578248 0.77421744069500 0.25236863670923 15.999 17 O 0.55759802250393 0.10247097688103 0.75490817724903 15.999 18 O 0.44240197749607 0.89752902311897 0.75490817724903 15.999 19 O 0.05759802250393 0.39752902311897 0.74509182275097 15.999 20 O 0.94240197749607 0.60247097688103 0.74509182275097 15.999 21 O 0.44240197749607 0.89752902311897 0.24509182275097 15.999 22 O 0.55759802250393 0.10247097688103 0.24509182275097 15.999 23 O 0.94240197749607 0.60247097688103 0.25490817724903 15.999 24 O 0.05759802250393 0.39752902311897 0.25490817724903 15.999 25 O 0.80254034828694 0.02424329557087 0.73518396120414 15.999 26 O 0.19745965171306 0.97575670442913 0.73518396120414 15.999 27 O 0.30254034828694 0.47575670442913 0.76481603879586 15.999 28 O 0.69745965171306 0.52424329557087 0.76481603879586 15.999 29 O 0.30254034828694 0.47575670442913 0.23518396120414 15.999 30 O 0.69745965171306 0.52424329557087 0.23518396120414 15.999 31 O 0.80254034828694 0.02424329557087 0.26481603879586 15.999 32 O 0.28676795421752 0.22578255930500 0.25236863670923 15.999 33 Se 0.98064019876114 0.83508483636932 0.50000000000000 78.960 34 Se 0.01935980123886 0.16491516363067 0.50000000000000 78.960 35 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 36 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 37 Se 0.47577772086460 0.63846331277928 0.50000000000000 78.960 38 Se 0.52422227913540 0.36153668722072 0.50000000000000 78.960 39 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 40 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 41 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 42 Pr 0.71037674506415 0.15636383094792 0.50000000000000 140.908 43 Pr 0.28962325493585 0.84363616905207 0.50000000000000 140.908 44 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 45 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 46 Pr 0.22757147698193 0.35150353095807 0.50000000000000 140.908 47 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 48 Pr 0.77242852301807 0.64849646904193 0.50000000000000 140.908 49 Ta 0.13546044303279 0.58375547397346 0.24976409892253 180.948 50 Ta 0.86453955696721 0.41624452602654 0.24976409892253 180.948 51 Ta 0.63546044303279 0.91624452602654 0.25023590107747 180.948 52 Ta 0.36453955696721 0.08375547397346 0.25023590107747 180.948 53 Ta 0.63546044303279 0.91624452602654 0.74976409892253 180.948 54 Ta 0.13546044303279 0.58375547397346 0.75023590107747 180.948 55 Ta 0.86453955696721 0.41624452602654 0.75023590107747 180.948 56 Ta 0.00000000000000 0.00000000000000 0.28559679415803 180.948 57 Ta 0.50000000000000 0.50000000000000 0.21440320584197 180.948 58 Ta 0.00000000000000 0.00000000000000 0.71440320584197 180.948 59 Ta 0.50000000000000 0.50000000000000 0.78559679415803 180.948 60 Ta 0.36453955696721 0.08375547397346 0.74976409892253 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.897128329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.816129630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.218047960000000 Atomic positions (fractional): 1 O 0.36560945317195 0.05072896297775 0.25000000000000 15.999 > 1 2 O 0.36560945317195 0.05072896297775 0.75000000000000 15.999 > 1 3 O 0.63439054682805 0.94927103702225 0.25000000000000 15.999 > 3 4 O 0.63439054682805 0.94927103702225 0.75000000000000 15.999 > 3 5 O 0.86560945317195 0.44927103702225 0.00000000000000 15.999 > 5 6 O 0.86560945317195 0.44927103702225 0.50000000000000 15.999 > 5 7 O 0.13439054682805 0.55072896297775 0.00000000000000 15.999 > 7 8 O 0.13439054682805 0.55072896297775 0.50000000000000 15.999 > 7 9 O 0.15047107149845 0.54944913525934 0.25000000000000 15.999 > 9 10 O 0.15047107149845 0.54944913525934 0.75000000000000 15.999 > 9 11 O 0.84952892850155 0.45055086474066 0.25000000000000 15.999 > 11 12 O 0.84952892850155 0.45055086474066 0.75000000000000 15.999 > 11 13 O 0.65047107149845 0.95055086474066 0.00000000000000 15.999 > 13 14 O 0.65047107149845 0.95055086474066 0.50000000000000 15.999 > 13 15 O 0.34952892850155 0.04944913525934 0.00000000000000 15.999 > 15 16 O 0.34952892850155 0.04944913525934 0.50000000000000 15.999 > 15 17 O 0.78676795421752 0.27421744069500 0.37618431835462 15.999 > 17 18 O 0.78676795421752 0.27421744069500 0.87618431835462 15.999 > 17 19 O 0.21323204578248 0.72578255930500 0.37618431835462 15.999 > 19 20 O 0.21323204578248 0.72578255930500 0.87618431835462 15.999 > 19 21 O 0.28676795421752 0.22578255930500 0.37381568164538 15.999 > 21 22 O 0.28676795421752 0.22578255930500 0.87381568164538 15.999 > 21 23 O 0.71323204578248 0.77421744069500 0.37381568164538 15.999 > 23 24 O 0.71323204578248 0.77421744069500 0.87381568164538 15.999 > 23 25 O 0.21323204578248 0.72578255930500 0.12381568164538 15.999 > 25 26 O 0.21323204578248 0.72578255930500 0.62381568164538 15.999 > 25 27 O 0.78676795421752 0.27421744069500 0.12381568164538 15.999 > 27 28 O 0.78676795421752 0.27421744069500 0.62381568164538 15.999 > 27 29 O 0.19745965171306 0.97575670442913 0.13240801939793 15.999 > 29 30 O 0.19745965171306 0.97575670442913 0.63240801939793 15.999 > 29 31 O 0.71323204578248 0.77421744069500 0.12618431835462 15.999 > 31 32 O 0.71323204578248 0.77421744069500 0.62618431835462 15.999 > 31 33 O 0.55759802250393 0.10247097688103 0.37745408862451 15.999 > 33 34 O 0.55759802250393 0.10247097688103 0.87745408862451 15.999 > 33 35 O 0.44240197749607 0.89752902311897 0.37745408862451 15.999 > 35 36 O 0.44240197749607 0.89752902311897 0.87745408862451 15.999 > 35 37 O 0.05759802250393 0.39752902311897 0.37254591137549 15.999 > 37 38 O 0.05759802250393 0.39752902311897 0.87254591137549 15.999 > 37 39 O 0.94240197749607 0.60247097688103 0.37254591137549 15.999 > 39 40 O 0.94240197749607 0.60247097688103 0.87254591137549 15.999 > 39 41 O 0.44240197749607 0.89752902311897 0.12254591137549 15.999 > 41 42 O 0.44240197749607 0.89752902311897 0.62254591137549 15.999 > 41 43 O 0.55759802250393 0.10247097688103 0.12254591137549 15.999 > 43 44 O 0.55759802250393 0.10247097688103 0.62254591137549 15.999 > 43 45 O 0.94240197749607 0.60247097688103 0.12745408862451 15.999 > 45 46 O 0.94240197749607 0.60247097688103 0.62745408862451 15.999 > 45 47 O 0.05759802250393 0.39752902311897 0.12745408862451 15.999 > 47 48 O 0.05759802250393 0.39752902311897 0.62745408862451 15.999 > 47 49 O 0.80254034828694 0.02424329557087 0.36759198060207 15.999 > 49 50 O 0.80254034828694 0.02424329557087 0.86759198060207 15.999 > 49 51 O 0.19745965171306 0.97575670442913 0.36759198060207 15.999 > 51 52 O 0.19745965171306 0.97575670442913 0.86759198060207 15.999 > 51 53 O 0.30254034828694 0.47575670442913 0.38240801939793 15.999 > 53 54 O 0.30254034828694 0.47575670442913 0.88240801939793 15.999 > 53 55 O 0.69745965171306 0.52424329557087 0.38240801939793 15.999 > 55 56 O 0.69745965171306 0.52424329557087 0.88240801939793 15.999 > 55 57 O 0.30254034828694 0.47575670442913 0.11759198060207 15.999 > 57 58 O 0.30254034828694 0.47575670442913 0.61759198060207 15.999 > 57 59 O 0.69745965171306 0.52424329557087 0.11759198060207 15.999 > 59 60 O 0.69745965171306 0.52424329557087 0.61759198060207 15.999 > 59 61 O 0.80254034828694 0.02424329557087 0.13240801939793 15.999 > 61 62 O 0.80254034828694 0.02424329557087 0.63240801939793 15.999 > 61 63 O 0.28676795421752 0.22578255930500 0.12618431835462 15.999 > 63 64 O 0.28676795421752 0.22578255930500 0.62618431835462 15.999 > 63 65 Se 0.98064019876114 0.83508483636932 0.25000000000000 78.960 > 65 66 Se 0.98064019876114 0.83508483636932 0.75000000000000 78.960 > 65 67 Se 0.01935980123886 0.16491516363067 0.25000000000000 78.960 > 67 68 Se 0.01935980123886 0.16491516363067 0.75000000000000 78.960 > 67 69 Se 0.48064019876114 0.66491516363068 0.00000000000000 78.960 > 69 70 Se 0.48064019876114 0.66491516363068 0.50000000000000 78.960 > 69 71 Se 0.51935980123886 0.33508483636933 0.00000000000000 78.960 > 71 72 Se 0.51935980123886 0.33508483636933 0.50000000000000 78.960 > 71 73 Se 0.47577772086460 0.63846331277928 0.25000000000000 78.960 > 73 74 Se 0.47577772086460 0.63846331277928 0.75000000000000 78.960 > 73 75 Se 0.52422227913540 0.36153668722072 0.25000000000000 78.960 > 75 76 Se 0.52422227913540 0.36153668722072 0.75000000000000 78.960 > 75 77 Se 0.97577772086460 0.86153668722072 0.00000000000000 78.960 > 77 78 Se 0.97577772086460 0.86153668722072 0.50000000000000 78.960 > 77 79 Se 0.02422227913540 0.13846331277928 0.00000000000000 78.960 > 79 80 Se 0.02422227913540 0.13846331277928 0.50000000000000 78.960 > 79 81 Pr 0.78962325493585 0.65636383094793 0.00000000000000 140.908 > 81 82 Pr 0.78962325493585 0.65636383094793 0.50000000000000 140.908 > 81 83 Pr 0.71037674506415 0.15636383094792 0.25000000000000 140.908 > 83 84 Pr 0.71037674506415 0.15636383094792 0.75000000000000 140.908 > 83 85 Pr 0.28962325493585 0.84363616905207 0.25000000000000 140.908 > 85 86 Pr 0.28962325493585 0.84363616905207 0.75000000000000 140.908 > 85 87 Pr 0.72757147698193 0.14849646904193 0.00000000000000 140.908 > 87 88 Pr 0.72757147698193 0.14849646904193 0.50000000000000 140.908 > 87 89 Pr 0.27242852301807 0.85150353095807 0.00000000000000 140.908 > 89 90 Pr 0.27242852301807 0.85150353095807 0.50000000000000 140.908 > 89 91 Pr 0.22757147698193 0.35150353095807 0.25000000000000 140.908 > 91 92 Pr 0.22757147698193 0.35150353095807 0.75000000000000 140.908 > 91 93 Pr 0.21037674506415 0.34363616905208 0.00000000000000 140.908 > 93 94 Pr 0.21037674506415 0.34363616905208 0.50000000000000 140.908 > 93 95 Pr 0.77242852301807 0.64849646904193 0.25000000000000 140.908 > 95 96 Pr 0.77242852301807 0.64849646904193 0.75000000000000 140.908 > 95 97 Ta 0.13546044303279 0.58375547397346 0.12488204946127 180.948 > 97 98 Ta 0.13546044303279 0.58375547397346 0.62488204946127 180.948 > 97 99 Ta 0.86453955696721 0.41624452602654 0.12488204946127 180.948 > 99 100 Ta 0.86453955696721 0.41624452602654 0.62488204946127 180.948 > 99 101 Ta 0.63546044303279 0.91624452602654 0.12511795053873 180.948 > 101 102 Ta 0.63546044303279 0.91624452602654 0.62511795053873 180.948 > 101 103 Ta 0.36453955696721 0.08375547397346 0.12511795053873 180.948 > 103 104 Ta 0.36453955696721 0.08375547397346 0.62511795053873 180.948 > 103 105 Ta 0.63546044303279 0.91624452602654 0.37488204946127 180.948 > 105 106 Ta 0.63546044303279 0.91624452602654 0.87488204946127 180.948 > 105 107 Ta 0.13546044303279 0.58375547397346 0.37511795053873 180.948 > 107 108 Ta 0.13546044303279 0.58375547397346 0.87511795053873 180.948 > 107 109 Ta 0.86453955696721 0.41624452602654 0.37511795053873 180.948 > 109 110 Ta 0.86453955696721 0.41624452602654 0.87511795053873 180.948 > 109 111 Ta 0.00000000000000 0.00000000000000 0.14279839707901 180.948 > 111 112 Ta 0.00000000000000 0.00000000000000 0.64279839707901 180.948 > 111 113 Ta 0.50000000000000 0.50000000000000 0.10720160292099 180.948 > 113 114 Ta 0.50000000000000 0.50000000000000 0.60720160292099 180.948 > 113 115 Ta 0.00000000000000 0.00000000000000 0.35720160292099 180.948 > 115 116 Ta 0.00000000000000 0.00000000000000 0.85720160292099 180.948 > 115 117 Ta 0.50000000000000 0.50000000000000 0.39279839707901 180.948 > 117 118 Ta 0.50000000000000 0.50000000000000 0.89279839707901 180.948 > 117 119 Ta 0.36453955696721 0.08375547397346 0.37488204946127 180.948 > 119 120 Ta 0.36453955696721 0.08375547397346 0.87488204946127 180.948 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2148047 0.0000000 0.0000000 0.0000000 6.2769219 0.0000000 0.0000000 0.0000000 7.6737477 -------------------------- Born effective charges -------------------------- 1 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 2 O -1.4852440 -0.2090977 0.0000000 -0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 3 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 4 O -1.4852440 0.2090977 0.0000000 0.3229461 -1.8541288 0.0000000 0.0000000 0.0000000 -5.7260747 5 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 6 O -1.5483186 0.2770930 0.0000000 0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 7 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 8 O -1.5483186 -0.2770930 0.0000000 -0.4550850 -2.0314607 0.0000000 0.0000000 0.0000000 -5.8527857 9 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 10 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 11 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 12 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 13 O -1.8659376 -1.0927165 0.0111518 -0.7512012 -3.6030386 -0.0256008 -0.0410779 -0.0244105 -2.1476296 14 O -1.8659376 -1.0927165 -0.0111518 -0.7512012 -3.6030386 0.0256008 0.0410779 0.0244105 -2.1476296 15 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 16 O -1.8659376 1.0927165 -0.0111518 0.7512012 -3.6030386 -0.0256008 0.0410779 -0.0244105 -2.1476296 17 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 18 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 19 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 20 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 21 O -4.3098604 0.1669959 -0.0254427 -0.0284069 -2.2179164 -0.0392774 -0.0389526 -0.0289030 -2.0653966 22 O -4.3098604 0.1669959 0.0254427 -0.0284069 -2.2179164 0.0392774 0.0389526 0.0289030 -2.0653966 23 O -4.3098604 -0.1669959 0.0254427 0.0284069 -2.2179164 -0.0392774 0.0389526 -0.0289030 -2.0653966 24 O -4.3098604 -0.1669959 -0.0254427 0.0284069 -2.2179164 0.0392774 -0.0389526 0.0289030 -2.0653966 25 O -4.9305674 -0.1668707 0.2084788 -0.1514541 -2.0768999 0.0616874 0.3186320 -0.0084156 -2.2258570 26 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 27 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 28 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 29 O -4.9305674 0.1668707 0.2084788 0.1514541 -2.0768999 -0.0616874 0.3186320 0.0084156 -2.2258570 30 O -4.9305674 0.1668707 -0.2084788 0.1514541 -2.0768999 0.0616874 -0.3186320 -0.0084156 -2.2258570 31 O -4.9305674 -0.1668707 -0.2084788 -0.1514541 -2.0768999 -0.0616874 -0.3186320 0.0084156 -2.2258570 32 O -1.8659376 1.0927165 0.0111518 0.7512012 -3.6030386 0.0256008 -0.0410779 0.0244105 -2.1476296 33 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 34 Se -1.4629941 -0.1998620 0.0000000 -0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 35 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 36 Se -1.4629941 0.1998620 0.0000000 0.1480346 -1.3979885 0.0000000 0.0000000 0.0000000 -0.4012566 37 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 38 Se -1.6803524 0.3036031 0.0000000 0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 39 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 40 Se -1.6803524 -0.3036031 0.0000000 -0.1254897 -1.4780623 0.0000000 0.0000000 0.0000000 -1.7846688 41 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 42 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 43 Pr 4.3253857 -0.3179839 0.0000000 -0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 44 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 45 Pr 4.4319617 -0.1954086 0.0000000 -0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 46 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 47 Pr 4.3253857 0.3179839 0.0000000 0.5735238 4.5915354 0.0000000 0.0000000 0.0000000 3.7445678 48 Pr 4.4319617 0.1954086 0.0000000 0.6055178 4.4670297 0.0000000 0.0000000 0.0000000 4.0013163 49 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 50 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 51 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 52 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 53 Ta 7.0361739 -0.2528429 -0.0432620 0.0295221 5.7479984 -0.0960114 -0.0324207 -0.1929787 7.6710736 54 Ta 7.0361739 0.2528429 0.0432620 -0.0295221 5.7479984 -0.0960114 0.0324207 -0.1929787 7.6710736 55 Ta 7.0361739 0.2528429 -0.0432620 -0.0295221 5.7479984 0.0960114 -0.0324207 0.1929787 7.6710736 56 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 57 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 58 Ta 5.5599446 -1.1206871 0.0000000 -0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 59 Ta 5.5599446 1.1206871 0.0000000 0.4193005 2.0027881 0.0000000 0.0000000 0.0000000 3.5545210 60 Ta 7.0361739 -0.2528429 0.0432620 0.0295221 5.7479984 0.0960114 0.0324207 0.1929787 7.6710736 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 7 ] 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: 0.43, Number of G-points: 297, Lambda: 0.12 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 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 1.580 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.321 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.575 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.015 ( 0.000 0.000 0.000) 0.000 18.440 ( 0.000 0.000 0.000) 0.000 18.495 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 19.081 ( 0.000 0.000 0.000) 0.000 19.308 ( 0.000 0.000 0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.435 ( 0.000 0.000 0.000) 0.000 19.536 ( 0.000 0.000 0.000) 0.000 19.543 ( 0.000 0.000 0.000) 0.000 19.671 ( 0.000 0.000 0.000) 0.000 19.676 ( 0.000 0.000 0.000) 0.000 20.277 ( 0.000 0.000 0.000) 0.000 20.614 ( 0.000 0.000 0.000) 0.000 20.691 ( 0.000 0.000 0.000) 0.000 21.435 ( 0.000 0.000 0.000) 0.000 21.447 ( 0.000 0.000 0.000) 0.000 21.489 ( 0.000 0.000 0.000) 0.000 21.641 ( 0.000 0.000 0.000) 0.000 21.868 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.555 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.729 ( 0.000 0.000 0.000) 0.000 27.138 ( 0.000 0.000 0.000) 0.000 27.142 ( 0.000 0.000 0.000) 0.000 27.476 ( 0.000 0.000 0.000) 0.000 27.491 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 24.191 0.000 0.000) 24.191 0.579 ( 27.741 0.000 0.000) 27.741 1.065 ( 51.259 0.000 0.000) 51.259 1.604 ( 1.477 0.000 0.000) 1.477 1.858 ( 7.236 0.000 0.000) 7.236 1.900 ( -19.152 0.000 0.000) 19.152 1.985 ( -11.734 0.000 0.000) 11.734 2.018 ( -10.258 0.000 0.000) 10.258 2.043 ( -3.769 0.000 0.000) 3.769 2.387 ( -2.273 0.000 0.000) 2.273 2.394 ( 6.421 0.000 0.000) 6.421 2.596 ( 2.026 0.000 0.000) 2.026 2.598 ( -0.850 0.000 0.000) 0.850 2.654 ( 3.971 0.000 0.000) 3.971 2.682 ( 11.428 0.000 0.000) 11.428 2.692 ( 1.546 0.000 0.000) 1.546 2.713 ( 4.694 0.000 0.000) 4.694 2.735 ( 8.528 0.000 0.000) 8.528 2.749 ( 1.147 0.000 0.000) 1.147 2.883 ( 0.334 0.000 0.000) 0.334 2.909 ( 8.737 0.000 0.000) 8.737 3.034 ( 0.973 0.000 0.000) 0.973 3.145 ( -1.630 0.000 0.000) 1.630 3.187 ( 0.361 0.000 0.000) 0.361 3.191 ( -7.003 0.000 0.000) 7.003 3.265 ( -7.518 0.000 0.000) 7.518 3.288 ( -3.184 0.000 0.000) 3.184 3.313 ( -0.677 0.000 0.000) 0.677 3.318 ( -1.554 0.000 0.000) 1.554 3.337 ( -0.307 0.000 0.000) 0.307 3.441 ( -0.430 0.000 0.000) 0.430 3.456 ( 3.983 0.000 0.000) 3.983 3.489 ( -1.271 0.000 0.000) 1.271 3.545 ( -0.353 0.000 0.000) 0.353 3.553 ( -5.375 0.000 0.000) 5.375 3.706 ( -23.870 0.000 0.000) 23.870 3.772 ( -11.148 0.000 0.000) 11.148 3.839 ( -9.808 0.000 0.000) 9.808 3.884 ( -10.582 0.000 0.000) 10.582 4.082 ( -7.103 0.000 0.000) 7.103 4.086 ( -1.588 0.000 0.000) 1.588 4.155 ( -3.706 0.000 0.000) 3.706 4.161 ( -1.707 0.000 0.000) 1.707 4.211 ( -1.369 0.000 0.000) 1.369 4.237 ( -9.646 0.000 0.000) 9.646 4.310 ( 4.072 0.000 0.000) 4.072 4.367 ( 1.315 0.000 0.000) 1.315 4.412 ( -20.127 0.000 0.000) 20.127 4.517 ( 1.539 0.000 0.000) 1.539 4.597 ( -2.941 0.000 0.000) 2.941 4.622 ( 0.159 0.000 0.000) 0.159 4.677 ( -1.190 0.000 0.000) 1.190 4.691 ( -2.660 0.000 0.000) 2.660 4.725 ( 3.388 0.000 0.000) 3.388 4.819 ( -1.635 0.000 0.000) 1.635 4.839 ( -0.223 0.000 0.000) 0.223 4.846 ( -0.105 0.000 0.000) 0.105 4.884 ( 0.980 0.000 0.000) 0.980 5.097 ( 13.721 0.000 0.000) 13.721 5.112 ( -1.539 0.000 0.000) 1.539 5.192 ( -5.719 0.000 0.000) 5.719 5.240 ( -0.722 0.000 0.000) 0.722 5.347 ( 5.859 0.000 0.000) 5.859 5.384 ( -4.576 0.000 0.000) 4.576 5.466 ( 11.465 0.000 0.000) 11.465 5.484 ( 8.377 0.000 0.000) 8.377 5.497 ( 9.665 0.000 0.000) 9.665 5.506 ( 2.364 0.000 0.000) 2.364 5.530 ( 3.132 0.000 0.000) 3.132 5.624 ( 0.426 0.000 0.000) 0.426 5.761 ( -0.326 0.000 0.000) 0.326 5.782 ( 0.216 0.000 0.000) 0.216 5.809 ( 2.738 0.000 0.000) 2.738 5.827 ( -2.202 0.000 0.000) 2.202 5.899 ( 1.306 0.000 0.000) 1.306 5.964 ( -1.489 0.000 0.000) 1.489 5.967 ( 5.065 0.000 0.000) 5.065 5.977 ( 3.096 0.000 0.000) 3.096 6.026 ( -1.334 0.000 0.000) 1.334 6.129 ( 1.104 0.000 0.000) 1.104 6.535 ( 10.574 0.000 0.000) 10.574 6.607 ( 7.671 0.000 0.000) 7.671 6.623 ( -1.967 0.000 0.000) 1.967 6.683 ( -3.096 0.000 0.000) 3.096 6.906 ( 3.209 0.000 0.000) 3.209 7.039 ( -3.524 0.000 0.000) 3.524 7.105 ( 1.611 0.000 0.000) 1.611 7.191 ( -0.750 0.000 0.000) 0.750 7.195 ( -7.619 0.000 0.000) 7.619 7.362 ( 12.060 0.000 0.000) 12.060 7.402 ( 4.321 0.000 0.000) 4.321 7.451 ( -6.880 0.000 0.000) 6.880 7.527 ( 0.238 0.000 0.000) 0.238 7.599 ( 4.225 0.000 0.000) 4.225 7.625 ( 1.109 0.000 0.000) 1.109 8.023 ( -0.147 0.000 0.000) 0.147 8.023 ( 0.104 0.000 0.000) 0.104 8.091 ( -12.860 0.000 0.000) 12.860 8.253 ( 1.895 0.000 0.000) 1.895 8.344 ( -0.071 0.000 0.000) 0.071 8.396 ( 3.810 0.000 0.000) 3.810 8.612 ( -0.536 0.000 0.000) 0.536 8.723 ( 8.799 0.000 0.000) 8.799 8.876 ( -0.520 0.000 0.000) 0.520 8.913 ( 5.089 0.000 0.000) 5.089 8.918 ( -2.065 0.000 0.000) 2.065 8.955 ( 2.291 0.000 0.000) 2.291 9.061 ( -0.617 0.000 0.000) 0.617 9.206 ( 1.380 0.000 0.000) 1.380 9.270 ( 1.831 0.000 0.000) 1.831 9.310 ( -3.425 0.000 0.000) 3.425 9.404 ( -0.296 0.000 0.000) 0.296 9.407 ( 0.654 0.000 0.000) 0.654 9.441 ( 0.243 0.000 0.000) 0.243 9.677 ( -4.690 0.000 0.000) 4.690 9.701 ( -4.336 0.000 0.000) 4.336 9.732 ( -3.555 0.000 0.000) 3.555 9.936 ( -2.704 0.000 0.000) 2.704 9.949 ( 0.147 0.000 0.000) 0.147 9.964 ( 8.567 0.000 0.000) 8.567 10.038 ( -3.227 0.000 0.000) 3.227 10.079 ( 3.829 0.000 0.000) 3.829 10.080 ( -2.213 0.000 0.000) 2.213 10.156 ( -0.770 0.000 0.000) 0.770 10.160 ( 3.484 0.000 0.000) 3.484 10.313 ( 2.013 0.000 0.000) 2.013 10.415 ( 9.162 0.000 0.000) 9.162 10.984 ( 4.979 0.000 0.000) 4.979 10.991 ( 4.972 0.000 0.000) 4.972 10.997 ( 1.937 0.000 0.000) 1.937 10.997 ( 4.679 0.000 0.000) 4.679 11.059 ( -4.963 0.000 0.000) 4.963 11.223 ( -0.483 0.000 0.000) 0.483 11.270 ( -2.507 0.000 0.000) 2.507 11.371 ( 3.310 0.000 0.000) 3.310 11.524 ( 1.097 0.000 0.000) 1.097 11.726 ( -0.816 0.000 0.000) 0.816 11.735 ( -1.237 0.000 0.000) 1.237 11.981 ( 8.298 0.000 0.000) 8.298 12.484 ( 0.314 0.000 0.000) 0.314 12.557 ( -1.732 0.000 0.000) 1.732 12.739 ( 0.318 0.000 0.000) 0.318 12.789 ( -1.310 0.000 0.000) 1.310 13.226 ( -18.491 0.000 0.000) 18.491 13.417 ( -2.862 0.000 0.000) 2.862 13.465 ( -2.930 0.000 0.000) 2.930 13.635 ( 5.046 0.000 0.000) 5.046 13.818 ( 0.475 0.000 0.000) 0.475 14.451 ( 20.723 0.000 0.000) 20.723 14.496 ( 19.007 0.000 0.000) 19.007 15.374 ( 34.785 0.000 0.000) 34.785 17.738 ( -41.066 0.000 0.000) 41.066 17.832 ( -42.880 0.000 0.000) 42.880 18.339 ( -28.480 0.000 0.000) 28.480 18.880 ( 12.740 0.000 0.000) 12.740 19.023 ( 9.918 0.000 0.000) 9.918 19.224 ( 13.113 0.000 0.000) 13.113 19.303 ( -0.395 0.000 0.000) 0.395 19.308 ( -0.581 0.000 0.000) 0.581 19.570 ( 1.765 0.000 0.000) 1.765 19.572 ( 1.548 0.000 0.000) 1.548 19.737 ( 6.481 0.000 0.000) 6.481 19.741 ( 6.260 0.000 0.000) 6.260 20.207 ( -7.443 0.000 0.000) 7.443 20.381 ( -15.996 0.000 0.000) 15.996 20.473 ( -11.773 0.000 0.000) 11.773 21.345 ( 17.746 0.000 0.000) 17.746 21.433 ( -0.187 0.000 0.000) 0.187 21.435 ( -0.689 0.000 0.000) 0.689 21.512 ( 1.753 0.000 0.000) 1.753 21.628 ( -1.300 0.000 0.000) 1.300 21.857 ( -1.337 0.000 0.000) 1.337 23.282 ( 5.266 0.000 0.000) 5.266 23.536 ( -1.903 0.000 0.000) 1.903 24.651 ( 4.395 0.000 0.000) 4.395 24.745 ( 1.425 0.000 0.000) 1.425 27.179 ( 3.698 0.000 0.000) 3.698 27.183 ( 3.749 0.000 0.000) 3.749 27.456 ( -1.899 0.000 0.000) 1.899 27.470 ( -2.052 0.000 0.000) 2.052 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 22.942 0.000 0.000) 22.942 1.103 ( 23.693 0.000 0.000) 23.693 1.442 ( -22.481 0.000 0.000) 22.481 1.507 ( -14.433 0.000 0.000) 14.433 1.852 ( 1.435 0.000 0.000) 1.435 1.872 ( -1.327 0.000 0.000) 1.327 1.902 ( -2.964 0.000 0.000) 2.964 1.944 ( -5.578 0.000 0.000) 5.578 2.077 ( 43.364 0.000 0.000) 43.364 2.498 ( 4.122 0.000 0.000) 4.122 2.532 ( 17.527 0.000 0.000) 17.527 2.565 ( -2.464 0.000 0.000) 2.464 2.663 ( 3.494 0.000 0.000) 3.494 2.698 ( -0.362 0.000 0.000) 0.362 2.728 ( 1.797 0.000 0.000) 1.797 2.781 ( -1.290 0.000 0.000) 1.290 2.814 ( 7.282 0.000 0.000) 7.282 2.844 ( -13.426 0.000 0.000) 13.426 2.882 ( -2.914 0.000 0.000) 2.914 2.909 ( -2.719 0.000 0.000) 2.719 2.979 ( 7.622 0.000 0.000) 7.622 3.030 ( -4.816 0.000 0.000) 4.816 3.074 ( 4.670 0.000 0.000) 4.670 3.105 ( -2.063 0.000 0.000) 2.063 3.124 ( -7.998 0.000 0.000) 7.998 3.144 ( -4.885 0.000 0.000) 4.885 3.183 ( -14.142 0.000 0.000) 14.142 3.257 ( -6.165 0.000 0.000) 6.165 3.269 ( -2.823 0.000 0.000) 2.823 3.272 ( 6.980 0.000 0.000) 6.980 3.316 ( -2.417 0.000 0.000) 2.417 3.334 ( -0.983 0.000 0.000) 0.983 3.433 ( -2.056 0.000 0.000) 2.056 3.465 ( -1.148 0.000 0.000) 1.148 3.501 ( -10.741 0.000 0.000) 10.741 3.519 ( -18.864 0.000 0.000) 18.864 3.561 ( 1.711 0.000 0.000) 1.711 3.585 ( -4.848 0.000 0.000) 4.848 3.745 ( 7.131 0.000 0.000) 7.131 3.943 ( -11.002 0.000 0.000) 11.002 3.997 ( -1.050 0.000 0.000) 1.050 4.029 ( -3.863 0.000 0.000) 3.863 4.154 ( 1.346 0.000 0.000) 1.346 4.197 ( -3.834 0.000 0.000) 3.834 4.205 ( 1.205 0.000 0.000) 1.205 4.215 ( 0.457 0.000 0.000) 0.457 4.388 ( 1.075 0.000 0.000) 1.075 4.398 ( 1.651 0.000 0.000) 1.651 4.559 ( 1.954 0.000 0.000) 1.954 4.618 ( 5.483 0.000 0.000) 5.483 4.626 ( -3.561 0.000 0.000) 3.561 4.631 ( 0.766 0.000 0.000) 0.766 4.652 ( -1.223 0.000 0.000) 1.223 4.743 ( -5.819 0.000 0.000) 5.819 4.800 ( 3.601 0.000 0.000) 3.601 4.836 ( -0.049 0.000 0.000) 0.049 4.839 ( -0.318 0.000 0.000) 0.318 4.863 ( -2.597 0.000 0.000) 2.597 5.096 ( 0.101 0.000 0.000) 0.101 5.111 ( -1.970 0.000 0.000) 1.970 5.237 ( 0.948 0.000 0.000) 0.948 5.287 ( 5.323 0.000 0.000) 5.323 5.292 ( -4.035 0.000 0.000) 4.035 5.351 ( -1.786 0.000 0.000) 1.786 5.555 ( 1.982 0.000 0.000) 1.982 5.570 ( 0.676 0.000 0.000) 0.676 5.641 ( 2.219 0.000 0.000) 2.219 5.642 ( 1.063 0.000 0.000) 1.063 5.646 ( 7.113 0.000 0.000) 7.113 5.702 ( 10.609 0.000 0.000) 10.609 5.764 ( -4.039 0.000 0.000) 4.039 5.766 ( 0.808 0.000 0.000) 0.808 5.782 ( -0.439 0.000 0.000) 0.439 5.885 ( -6.624 0.000 0.000) 6.624 5.915 ( 6.136 0.000 0.000) 6.136 5.934 ( 2.007 0.000 0.000) 2.007 5.990 ( -1.882 0.000 0.000) 1.882 6.008 ( -0.926 0.000 0.000) 0.926 6.066 ( 4.139 0.000 0.000) 4.139 6.124 ( -1.564 0.000 0.000) 1.564 6.580 ( 0.289 0.000 0.000) 0.289 6.616 ( -2.994 0.000 0.000) 2.994 6.788 ( 9.820 0.000 0.000) 9.820 6.806 ( 11.013 0.000 0.000) 11.013 6.938 ( -5.980 0.000 0.000) 5.980 7.019 ( -9.718 0.000 0.000) 9.718 7.022 ( 9.293 0.000 0.000) 9.293 7.161 ( 2.694 0.000 0.000) 2.694 7.185 ( -0.996 0.000 0.000) 0.996 7.259 ( -11.129 0.000 0.000) 11.129 7.478 ( 2.864 0.000 0.000) 2.864 7.513 ( -0.466 0.000 0.000) 0.466 7.620 ( 11.528 0.000 0.000) 11.528 7.651 ( 1.104 0.000 0.000) 1.104 7.655 ( 1.069 0.000 0.000) 1.069 7.848 ( -11.204 0.000 0.000) 11.204 8.022 ( 0.087 0.000 0.000) 0.087 8.024 ( -0.074 0.000 0.000) 0.074 8.298 ( 2.243 0.000 0.000) 2.243 8.333 ( -1.119 0.000 0.000) 1.119 8.497 ( 5.546 0.000 0.000) 5.546 8.586 ( -2.610 0.000 0.000) 2.610 8.825 ( 2.519 0.000 0.000) 2.519 8.860 ( -1.153 0.000 0.000) 1.153 8.877 ( -1.191 0.000 0.000) 1.191 8.903 ( -3.966 0.000 0.000) 3.966 9.069 ( 8.520 0.000 0.000) 8.520 9.138 ( 5.618 0.000 0.000) 5.618 9.213 ( -1.374 0.000 0.000) 1.374 9.216 ( -5.906 0.000 0.000) 5.906 9.341 ( 3.932 0.000 0.000) 3.932 9.392 ( -1.131 0.000 0.000) 1.131 9.445 ( 3.490 0.000 0.000) 3.490 9.458 ( 2.027 0.000 0.000) 2.027 9.548 ( -6.574 0.000 0.000) 6.574 9.554 ( -7.141 0.000 0.000) 7.141 9.754 ( 3.465 0.000 0.000) 3.465 9.847 ( -5.233 0.000 0.000) 5.233 9.995 ( -0.440 0.000 0.000) 0.440 10.000 ( 2.234 0.000 0.000) 2.234 10.030 ( -0.341 0.000 0.000) 0.341 10.094 ( -3.180 0.000 0.000) 3.180 10.160 ( 9.733 0.000 0.000) 9.733 10.179 ( 3.046 0.000 0.000) 3.046 10.208 ( 0.562 0.000 0.000) 0.562 10.309 ( -3.875 0.000 0.000) 3.875 10.627 ( 11.260 0.000 0.000) 11.260 10.854 ( -10.678 0.000 0.000) 10.678 11.075 ( 2.951 0.000 0.000) 2.951 11.080 ( 2.487 0.000 0.000) 2.487 11.104 ( 5.300 0.000 0.000) 5.300 11.109 ( 4.732 0.000 0.000) 4.732 11.192 ( -2.623 0.000 0.000) 2.623 11.206 ( -3.880 0.000 0.000) 3.880 11.450 ( 4.164 0.000 0.000) 4.164 11.518 ( -2.065 0.000 0.000) 2.065 11.709 ( -0.604 0.000 0.000) 0.604 11.711 ( -0.833 0.000 0.000) 0.833 12.273 ( 20.185 0.000 0.000) 20.185 12.494 ( 0.674 0.000 0.000) 0.674 12.518 ( -1.718 0.000 0.000) 1.718 12.725 ( -15.322 0.000 0.000) 15.322 12.750 ( 0.770 0.000 0.000) 0.770 12.795 ( -11.253 0.000 0.000) 11.253 13.385 ( -0.235 0.000 0.000) 0.235 13.407 ( -2.288 0.000 0.000) 2.288 13.736 ( 4.489 0.000 0.000) 4.489 13.804 ( -2.066 0.000 0.000) 2.066 14.945 ( 21.351 0.000 0.000) 21.351 14.954 ( 20.017 0.000 0.000) 20.017 16.332 ( 56.437 0.000 0.000) 56.437 16.973 ( -27.102 0.000 0.000) 27.102 17.015 ( -30.692 0.000 0.000) 30.692 17.485 ( -53.420 0.000 0.000) 53.420 19.048 ( 5.063 0.000 0.000) 5.063 19.104 ( -0.259 0.000 0.000) 0.259 19.297 ( -0.143 0.000 0.000) 0.143 19.298 ( -0.296 0.000 0.000) 0.296 19.559 ( 18.861 0.000 0.000) 18.861 19.589 ( 0.330 0.000 0.000) 0.330 19.589 ( 0.331 0.000 0.000) 0.331 19.861 ( 3.824 0.000 0.000) 3.824 19.861 ( 3.871 0.000 0.000) 3.871 19.944 ( -17.883 0.000 0.000) 17.883 20.205 ( -1.780 0.000 0.000) 1.780 20.265 ( -7.010 0.000 0.000) 7.010 21.427 ( -0.117 0.000 0.000) 0.117 21.429 ( -0.221 0.000 0.000) 0.221 21.551 ( 2.074 0.000 0.000) 2.074 21.593 ( -1.996 0.000 0.000) 1.996 21.638 ( 11.049 0.000 0.000) 11.049 21.797 ( -5.007 0.000 0.000) 5.007 23.393 ( 5.129 0.000 0.000) 5.129 23.481 ( -3.528 0.000 0.000) 3.528 24.738 ( 3.318 0.000 0.000) 3.318 24.768 ( 0.257 0.000 0.000) 0.257 27.265 ( 3.900 0.000 0.000) 3.900 27.269 ( 3.732 0.000 0.000) 3.732 27.406 ( -2.495 0.000 0.000) 2.495 27.414 ( -3.008 0.000 0.000) 3.008 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 23.301 0.000) 23.301 0.604 ( 0.000 27.417 0.000) 27.417 0.939 ( 0.000 42.769 0.000) 42.769 1.476 ( 0.000 -10.432 0.000) 10.432 1.478 ( 0.000 -20.611 0.000) 20.611 2.080 ( 0.000 -0.059 0.000) 0.059 2.144 ( 0.000 -6.366 0.000) 6.366 2.178 ( 0.000 -5.673 0.000) 5.673 2.217 ( 0.000 6.739 0.000) 6.739 2.234 ( 0.000 5.046 0.000) 5.046 2.443 ( 0.000 3.626 0.000) 3.626 2.534 ( 0.000 -6.511 0.000) 6.511 2.580 ( 0.000 0.246 0.000) 0.246 2.604 ( 0.000 -0.928 0.000) 0.928 2.614 ( 0.000 -0.609 0.000) 0.609 2.651 ( 0.000 2.291 0.000) 2.291 2.683 ( 0.000 -6.713 0.000) 6.713 2.713 ( 0.000 0.859 0.000) 0.859 2.732 ( 0.000 12.825 0.000) 12.825 2.738 ( 0.000 -0.147 0.000) 0.147 2.903 ( 0.000 2.244 0.000) 2.244 2.931 ( 0.000 -24.283 0.000) 24.283 3.093 ( 0.000 5.840 0.000) 5.840 3.169 ( 0.000 -8.943 0.000) 8.943 3.228 ( 0.000 5.019 0.000) 5.019 3.255 ( 0.000 6.227 0.000) 6.227 3.320 ( 0.000 -2.546 0.000) 2.546 3.337 ( 0.000 -9.964 0.000) 9.964 3.340 ( 0.000 6.200 0.000) 6.200 3.360 ( 0.000 1.868 0.000) 1.868 3.455 ( 0.000 4.634 0.000) 4.634 3.505 ( 0.000 3.559 0.000) 3.559 3.514 ( 0.000 4.765 0.000) 4.765 3.525 ( 0.000 -0.199 0.000) 0.199 3.606 ( 0.000 -1.323 0.000) 1.323 3.800 ( 0.000 -8.316 0.000) 8.316 3.830 ( 0.000 -6.631 0.000) 6.631 3.910 ( 0.000 -7.142 0.000) 7.142 3.939 ( 0.000 1.039 0.000) 1.039 4.040 ( 0.000 -6.429 0.000) 6.429 4.065 ( 0.000 -1.449 0.000) 1.449 4.119 ( 0.000 -2.767 0.000) 2.767 4.319 ( 0.000 4.505 0.000) 4.505 4.366 ( 0.000 4.012 0.000) 4.012 4.396 ( 0.000 -1.064 0.000) 1.064 4.428 ( 0.000 7.496 0.000) 7.496 4.562 ( 0.000 2.609 0.000) 2.609 4.573 ( 0.000 2.547 0.000) 2.547 4.622 ( 0.000 -0.426 0.000) 0.426 4.632 ( 0.000 0.820 0.000) 0.820 4.670 ( 0.000 -0.640 0.000) 0.640 4.685 ( 0.000 -2.873 0.000) 2.873 4.735 ( 0.000 -1.242 0.000) 1.242 4.750 ( 0.000 -5.300 0.000) 5.300 4.751 ( 0.000 9.079 0.000) 9.079 4.821 ( 0.000 -1.158 0.000) 1.158 4.828 ( 0.000 -0.107 0.000) 0.107 4.961 ( 0.000 5.264 0.000) 5.264 4.982 ( 0.000 3.782 0.000) 3.782 5.038 ( 0.000 0.716 0.000) 0.716 5.078 ( 0.000 -0.268 0.000) 0.268 5.203 ( 0.000 6.276 0.000) 6.276 5.223 ( 0.000 -7.156 0.000) 7.156 5.280 ( 0.000 0.623 0.000) 0.623 5.352 ( 0.000 -1.860 0.000) 1.860 5.435 ( 0.000 -1.288 0.000) 1.288 5.441 ( 0.000 0.507 0.000) 0.507 5.470 ( 0.000 1.367 0.000) 1.367 5.578 ( 0.000 -4.091 0.000) 4.091 5.638 ( 0.000 -7.176 0.000) 7.176 5.721 ( 0.000 -1.027 0.000) 1.027 5.728 ( 0.000 6.287 0.000) 6.287 5.758 ( 0.000 -1.864 0.000) 1.864 5.844 ( 0.000 2.787 0.000) 2.787 5.863 ( 0.000 -0.182 0.000) 0.182 5.910 ( 0.000 1.561 0.000) 1.561 5.928 ( 0.000 -0.126 0.000) 0.126 5.975 ( 0.000 0.705 0.000) 0.705 6.022 ( 0.000 -1.651 0.000) 1.651 6.178 ( 0.000 -4.774 0.000) 4.774 6.478 ( 0.000 2.661 0.000) 2.661 6.573 ( 0.000 -0.323 0.000) 0.323 6.627 ( 0.000 8.979 0.000) 8.979 6.660 ( 0.000 -0.378 0.000) 0.378 6.677 ( 0.000 -1.788 0.000) 1.788 6.989 ( 0.000 5.400 0.000) 5.400 7.119 ( 0.000 -0.888 0.000) 0.888 7.145 ( 0.000 -0.106 0.000) 0.106 7.145 ( 0.000 -11.715 0.000) 11.715 7.172 ( 0.000 -2.385 0.000) 2.385 7.283 ( 0.000 3.807 0.000) 3.807 7.456 ( 0.000 -3.997 0.000) 3.997 7.538 ( 0.000 1.269 0.000) 1.269 7.558 ( 0.000 2.222 0.000) 2.222 7.566 ( 0.000 0.612 0.000) 0.612 7.634 ( 0.000 0.442 0.000) 0.442 8.090 ( 0.000 1.847 0.000) 1.847 8.192 ( 0.000 -2.218 0.000) 2.218 8.240 ( 0.000 0.819 0.000) 0.819 8.304 ( 0.000 -1.157 0.000) 1.157 8.382 ( 0.000 2.429 0.000) 2.429 8.560 ( 0.000 -4.587 0.000) 4.587 8.618 ( 0.000 5.754 0.000) 5.754 8.819 ( 0.000 0.665 0.000) 0.665 8.882 ( 0.000 -0.041 0.000) 0.041 8.935 ( 0.000 1.852 0.000) 1.852 8.954 ( 0.000 0.843 0.000) 0.843 9.096 ( 0.000 2.125 0.000) 2.125 9.130 ( 0.000 -14.465 0.000) 14.465 9.188 ( 0.000 -0.477 0.000) 0.477 9.279 ( 0.000 1.108 0.000) 1.108 9.365 ( 0.000 -2.501 0.000) 2.501 9.455 ( 0.000 4.637 0.000) 4.637 9.497 ( 0.000 4.063 0.000) 4.063 9.682 ( 0.000 -3.010 0.000) 3.010 9.748 ( 0.000 -5.933 0.000) 5.933 9.826 ( 0.000 7.316 0.000) 7.316 10.011 ( 0.000 0.262 0.000) 0.262 10.026 ( 0.000 10.979 0.000) 10.979 10.029 ( 0.000 -0.464 0.000) 0.464 10.040 ( 0.000 1.616 0.000) 1.616 10.111 ( 0.000 1.009 0.000) 1.009 10.122 ( 0.000 -1.645 0.000) 1.645 10.155 ( 0.000 -0.419 0.000) 0.419 10.209 ( 0.000 -6.954 0.000) 6.954 10.260 ( 0.000 -1.141 0.000) 1.141 10.409 ( 0.000 8.849 0.000) 8.849 10.582 ( 0.000 4.075 0.000) 4.075 10.901 ( 0.000 -7.432 0.000) 7.432 10.924 ( 0.000 0.068 0.000) 0.068 10.936 ( 0.000 -0.361 0.000) 0.361 10.953 ( 0.000 -8.078 0.000) 8.078 11.144 ( 0.000 1.122 0.000) 1.122 11.206 ( 0.000 -1.269 0.000) 1.269 11.397 ( 0.000 4.879 0.000) 4.879 11.506 ( 0.000 -0.286 0.000) 0.286 11.737 ( 0.000 0.125 0.000) 0.125 11.747 ( 0.000 -0.246 0.000) 0.246 12.474 ( 0.000 -0.442 0.000) 0.442 12.532 ( 0.000 -3.214 0.000) 3.214 12.740 ( 0.000 0.465 0.000) 0.465 12.788 ( 0.000 -1.290 0.000) 1.290 13.423 ( 0.000 -0.838 0.000) 0.838 13.457 ( 0.000 -1.368 0.000) 1.368 13.535 ( 0.000 7.386 0.000) 7.386 13.625 ( 0.000 5.621 0.000) 5.621 13.774 ( 0.000 -2.045 0.000) 2.045 13.878 ( 0.000 -4.487 0.000) 4.487 14.242 ( 0.000 0.893 0.000) 0.893 14.287 ( 0.000 -0.784 0.000) 0.784 15.046 ( 0.000 2.873 0.000) 2.873 15.214 ( 0.000 -3.351 0.000) 3.351 18.438 ( 0.000 -0.117 0.000) 0.117 18.457 ( 0.000 -1.387 0.000) 1.387 18.562 ( 0.000 3.249 0.000) 3.249 18.689 ( 0.000 -2.060 0.000) 2.060 19.113 ( 0.000 3.024 0.000) 3.024 19.309 ( 0.000 0.079 0.000) 0.079 19.314 ( 0.000 -0.103 0.000) 0.103 19.347 ( 0.000 -6.668 0.000) 6.668 19.538 ( 0.000 0.103 0.000) 0.103 19.543 ( 0.000 -0.085 0.000) 0.085 19.672 ( 0.000 0.096 0.000) 0.096 19.676 ( 0.000 -0.038 0.000) 0.038 20.507 ( 0.000 19.804 0.000) 19.804 20.615 ( 0.000 0.365 0.000) 0.365 20.668 ( 0.000 -1.861 0.000) 1.861 21.433 ( 0.000 -0.062 0.000) 0.062 21.443 ( 0.000 -0.321 0.000) 0.321 21.516 ( 0.000 2.239 0.000) 2.239 21.621 ( 0.000 -1.799 0.000) 1.799 21.733 ( 0.000 -31.064 0.000) 31.064 23.884 ( 0.000 23.257 0.000) 23.257 24.086 ( 0.000 7.527 0.000) 7.527 24.485 ( 0.000 -8.157 0.000) 8.157 24.642 ( 0.000 -8.546 0.000) 8.546 27.139 ( 0.000 0.064 0.000) 0.064 27.142 ( 0.000 -0.041 0.000) 0.041 27.478 ( 0.000 0.212 0.000) 0.212 27.489 ( 0.000 -0.195 0.000) 0.195 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 16.195 16.688 0.000) 23.254 0.824 ( 18.241 18.894 0.000) 26.262 1.361 ( 35.889 25.302 0.000) 43.912 1.526 ( 4.410 -8.312 0.000) 9.409 1.551 ( 5.026 -20.042 0.000) 20.662 1.891 ( -17.072 1.033 0.000) 17.104 1.984 ( -11.610 0.197 0.000) 11.611 2.033 ( -5.024 -1.032 0.000) 5.129 2.069 ( -9.048 1.936 0.000) 9.252 2.356 ( 5.548 -1.215 0.000) 5.680 2.460 ( 0.657 -2.478 0.000) 2.564 2.526 ( -0.849 -5.972 0.000) 6.032 2.606 ( 2.754 1.003 0.000) 2.930 2.655 ( 3.767 0.198 0.000) 3.773 2.687 ( 3.261 -0.446 0.000) 3.291 2.697 ( 7.390 -2.150 0.000) 7.696 2.714 ( 0.168 1.059 0.000) 1.072 2.755 ( 2.268 -0.201 0.000) 2.277 2.770 ( 5.597 7.631 0.000) 9.464 2.865 ( 10.365 -3.255 0.000) 10.864 2.910 ( 0.930 2.820 0.000) 2.969 3.023 ( 5.879 -16.144 0.000) 17.182 3.104 ( 1.027 5.839 0.000) 5.928 3.154 ( -2.638 -5.848 0.000) 6.415 3.209 ( -1.652 4.796 0.000) 5.072 3.248 ( -1.925 -4.818 0.000) 5.189 3.276 ( -0.940 3.009 0.000) 3.152 3.329 ( -2.713 4.647 0.000) 5.381 3.329 ( -0.336 -1.345 0.000) 1.386 3.342 ( -1.018 0.889 0.000) 1.352 3.424 ( -2.372 1.348 0.000) 2.728 3.480 ( -2.483 -0.106 0.000) 2.485 3.501 ( -3.175 -1.051 0.000) 3.345 3.508 ( -0.107 7.403 0.000) 7.403 3.585 ( -1.750 -1.040 0.000) 2.036 3.635 ( -17.729 -5.062 0.000) 18.438 3.707 ( -11.382 -4.980 0.000) 12.424 3.841 ( -11.382 1.042 0.000) 11.430 3.900 ( -3.646 -2.933 0.000) 4.679 4.025 ( -3.249 -5.570 0.000) 6.448 4.066 ( -1.602 -2.075 0.000) 2.622 4.118 ( -14.978 0.219 0.000) 14.979 4.127 ( -0.912 -0.567 0.000) 1.073 4.177 ( -6.770 1.101 0.000) 6.859 4.273 ( -11.313 1.348 0.000) 11.393 4.351 ( -20.561 -5.378 0.000) 21.253 4.392 ( -0.059 2.067 0.000) 2.068 4.438 ( -5.977 2.944 0.000) 6.662 4.538 ( 3.327 -0.427 0.000) 3.355 4.629 ( 0.030 0.645 0.000) 0.646 4.629 ( -1.908 -2.174 0.000) 2.893 4.667 ( -0.726 -0.773 0.000) 1.061 4.667 ( 0.694 4.508 0.000) 4.561 4.767 ( 2.095 1.931 0.000) 2.849 4.814 ( 2.439 1.650 0.000) 2.944 4.852 ( -0.025 0.616 0.000) 0.617 4.858 ( -0.363 1.122 0.000) 1.179 4.896 ( -1.820 3.370 0.000) 3.830 5.065 ( -2.075 -3.514 0.000) 4.081 5.155 ( -4.435 -3.500 0.000) 5.650 5.157 ( 13.667 5.042 0.000) 14.568 5.259 ( 0.370 1.687 0.000) 1.727 5.357 ( 10.554 -0.134 0.000) 10.555 5.375 ( -1.401 -0.733 0.000) 1.581 5.437 ( 10.566 0.222 0.000) 10.569 5.469 ( 5.332 -1.358 0.000) 5.502 5.498 ( 0.672 -0.886 0.000) 1.112 5.544 ( 8.550 2.019 0.000) 8.785 5.571 ( 4.239 2.527 0.000) 4.935 5.593 ( 1.317 -3.112 0.000) 3.379 5.731 ( 0.935 -0.809 0.000) 1.236 5.765 ( 0.658 -1.410 0.000) 1.556 5.834 ( -1.713 0.483 0.000) 1.780 5.857 ( 1.694 2.788 0.000) 3.262 5.909 ( 7.182 -2.613 0.000) 7.643 5.919 ( 0.886 1.360 0.000) 1.623 5.966 ( 2.794 -0.794 0.000) 2.904 5.970 ( -1.719 0.055 0.000) 1.720 6.014 ( -0.666 -1.165 0.000) 1.342 6.112 ( -1.560 -2.471 0.000) 2.922 6.563 ( 6.622 2.222 0.000) 6.985 6.631 ( 2.138 1.664 0.000) 2.709 6.681 ( 5.114 6.748 0.000) 8.467 6.704 ( 2.583 0.727 0.000) 2.684 6.901 ( 2.474 -5.809 0.000) 6.314 6.977 ( 0.825 2.499 0.000) 2.631 7.090 ( -4.844 -8.934 0.000) 10.162 7.140 ( 1.036 1.879 0.000) 2.146 7.163 ( 1.714 -2.243 0.000) 2.823 7.343 ( 7.427 -3.726 0.000) 8.309 7.367 ( 7.342 -1.476 0.000) 7.489 7.460 ( 0.164 -4.912 0.000) 4.915 7.498 ( -1.931 2.955 0.000) 3.530 7.593 ( 2.696 0.682 0.000) 2.781 7.644 ( 0.865 0.178 0.000) 0.883 7.686 ( 9.288 -10.958 0.000) 14.365 8.059 ( -2.390 1.710 0.000) 2.938 8.129 ( -5.466 -0.525 0.000) 5.491 8.261 ( 1.918 0.794 0.000) 2.076 8.320 ( 0.934 -1.524 0.000) 1.787 8.420 ( 3.627 2.230 0.000) 4.257 8.570 ( 0.859 -3.505 0.000) 3.609 8.713 ( 8.640 2.249 0.000) 8.928 8.841 ( 2.156 -0.965 0.000) 2.362 8.880 ( -0.289 0.217 0.000) 0.362 8.930 ( -2.171 0.982 0.000) 2.382 8.959 ( 0.094 0.054 0.000) 0.109 9.096 ( 0.712 3.148 0.000) 3.228 9.139 ( -0.796 -13.037 0.000) 13.061 9.204 ( 1.438 -0.431 0.000) 1.501 9.280 ( 1.312 0.934 0.000) 1.610 9.363 ( -0.140 -2.595 0.000) 2.598 9.453 ( 0.049 4.191 0.000) 4.191 9.497 ( 0.252 4.106 0.000) 4.113 9.658 ( -2.869 -1.962 0.000) 3.476 9.680 ( -5.782 -3.515 0.000) 6.766 9.866 ( 3.491 9.094 0.000) 9.741 9.967 ( -0.311 1.626 0.000) 1.655 10.040 ( -4.037 -0.096 0.000) 4.038 10.057 ( 0.702 -1.104 0.000) 1.308 10.057 ( 1.417 9.312 0.000) 9.419 10.081 ( 0.191 -0.423 0.000) 0.464 10.119 ( -4.458 5.543 0.000) 7.113 10.151 ( 0.061 -0.363 0.000) 0.368 10.155 ( 2.924 -0.384 0.000) 2.949 10.259 ( 3.398 -3.706 0.000) 5.028 10.481 ( 6.591 6.013 0.000) 8.922 10.839 ( 8.490 -7.956 0.000) 11.635 10.947 ( 5.692 -5.962 0.000) 8.243 10.986 ( 5.034 0.121 0.000) 5.035 10.995 ( 4.835 -0.198 0.000) 4.839 11.014 ( 4.208 -6.220 0.000) 7.510 11.136 ( 2.738 -0.086 0.000) 2.740 11.217 ( 0.494 -1.463 0.000) 1.544 11.388 ( -0.658 4.333 0.000) 4.382 11.517 ( 0.533 -0.974 0.000) 1.110 11.727 ( -0.895 0.047 0.000) 0.897 11.733 ( -1.187 -0.187 0.000) 1.202 12.470 ( -1.579 0.528 0.000) 1.665 12.501 ( -3.961 0.353 0.000) 3.977 12.659 ( -24.403 23.077 0.000) 33.587 12.742 ( -1.843 1.376 0.000) 2.300 12.791 ( -4.928 3.848 0.000) 6.252 13.239 ( -22.307 -0.223 0.000) 22.308 13.411 ( -2.195 -0.059 0.000) 2.196 13.453 ( -2.005 -1.141 0.000) 2.307 13.680 ( 2.820 3.489 0.000) 4.486 13.802 ( 0.626 -1.532 0.000) 1.655 14.458 ( 20.449 0.624 0.000) 20.458 14.490 ( 19.236 -0.556 0.000) 19.244 15.522 ( 41.932 14.705 0.000) 44.436 17.303 ( 68.862 -80.206 0.000) 105.712 17.750 ( -41.240 1.107 0.000) 41.255 17.817 ( -42.502 -1.376 0.000) 42.524 18.901 ( 12.279 1.890 0.000) 12.424 19.002 ( 10.314 -1.855 0.000) 10.480 19.132 ( -0.951 -2.895 0.000) 3.047 19.304 ( -0.417 0.065 0.000) 0.422 19.307 ( -0.547 -0.075 0.000) 0.552 19.418 ( 6.754 -18.832 0.000) 20.006 19.570 ( 1.718 0.006 0.000) 1.718 19.572 ( 1.596 -0.027 0.000) 1.596 19.737 ( 6.336 0.047 0.000) 6.336 19.741 ( 6.276 -0.027 0.000) 6.276 20.333 ( -4.536 5.366 0.000) 7.027 20.466 ( -12.129 -1.209 0.000) 12.190 20.902 ( 13.768 0.629 0.000) 13.782 21.431 ( -0.091 0.141 0.000) 0.168 21.443 ( -0.122 0.113 0.000) 0.167 21.526 ( 0.883 1.397 0.000) 1.652 21.610 ( -1.088 -1.590 0.000) 1.927 21.666 ( -6.472 -27.079 0.000) 27.842 23.870 ( -1.667 24.372 0.000) 24.429 23.927 ( -8.049 23.153 0.000) 24.512 24.544 ( 4.802 -8.827 0.000) 10.049 24.655 ( 1.157 -8.762 0.000) 8.838 27.180 ( 3.705 0.071 0.000) 3.706 27.183 ( 3.741 -0.049 0.000) 3.742 27.458 ( -1.920 0.192 0.000) 1.930 27.468 ( -2.029 -0.173 0.000) 2.036 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 16.983 8.965 0.000) 19.204 1.225 ( 19.749 10.399 0.000) 22.320 1.442 ( -17.820 0.282 0.000) 17.822 1.549 ( -8.372 2.528 0.000) 8.745 1.700 ( 4.207 -11.227 0.000) 11.989 1.801 ( -0.620 -3.946 0.000) 3.994 1.832 ( -6.659 -6.580 0.000) 9.362 1.907 ( -7.083 -3.552 0.000) 7.924 2.224 ( 35.142 12.257 0.000) 37.219 2.444 ( 3.401 -3.214 0.000) 4.680 2.498 ( -1.982 -4.807 0.000) 5.199 2.607 ( 13.322 0.470 0.000) 13.331 2.681 ( 3.278 1.503 0.000) 3.606 2.713 ( -0.449 0.837 0.000) 0.949 2.724 ( 1.386 0.206 0.000) 1.401 2.743 ( 0.430 0.807 0.000) 0.914 2.808 ( -7.144 0.274 0.000) 7.149 2.819 ( 8.361 0.523 0.000) 8.378 2.894 ( 2.905 2.291 0.000) 3.700 2.935 ( 11.884 -4.032 0.000) 12.549 3.003 ( -4.351 0.777 0.000) 4.420 3.065 ( 4.111 1.274 0.000) 4.304 3.115 ( -5.564 2.837 0.000) 6.245 3.117 ( -15.092 4.653 0.000) 15.793 3.153 ( -5.344 3.238 0.000) 6.248 3.193 ( -7.946 2.420 0.000) 8.307 3.200 ( -6.761 3.600 0.000) 7.660 3.233 ( 3.372 -3.435 0.000) 4.814 3.254 ( -10.427 -2.493 0.000) 10.721 3.300 ( 0.201 2.479 0.000) 2.487 3.328 ( -1.482 2.683 0.000) 3.065 3.372 ( 1.591 -1.053 0.000) 1.908 3.423 ( -3.220 -2.775 0.000) 4.251 3.428 ( 4.730 -8.554 0.000) 9.775 3.512 ( -13.632 -1.543 0.000) 13.719 3.524 ( 2.210 9.610 0.000) 9.861 3.548 ( -2.913 -3.145 0.000) 4.287 3.594 ( 1.446 -7.202 0.000) 7.346 3.653 ( -12.617 9.841 0.000) 16.001 3.789 ( -16.072 -12.339 0.000) 20.262 4.017 ( -0.209 1.897 0.000) 1.908 4.038 ( 1.994 -9.618 0.000) 9.822 4.054 ( -3.306 2.464 0.000) 4.123 4.111 ( -5.617 -7.812 0.000) 9.622 4.156 ( 1.357 -3.721 0.000) 3.961 4.183 ( -1.174 -2.495 0.000) 2.757 4.369 ( 0.157 -1.555 0.000) 1.562 4.394 ( -1.677 -1.378 0.000) 2.171 4.602 ( 2.148 0.978 0.000) 2.360 4.631 ( -0.474 0.084 0.000) 0.481 4.634 ( 0.498 0.267 0.000) 0.565 4.649 ( -0.930 -0.275 0.000) 0.970 4.700 ( 3.941 6.533 0.000) 7.630 4.779 ( -2.598 1.250 0.000) 2.883 4.822 ( 1.582 3.056 0.000) 3.441 4.846 ( -0.156 0.596 0.000) 0.616 4.849 ( -0.436 0.683 0.000) 0.810 4.866 ( -2.166 2.136 0.000) 3.042 5.041 ( 0.525 -3.939 0.000) 3.974 5.081 ( -2.979 -3.371 0.000) 4.499 5.275 ( 1.469 2.817 0.000) 3.177 5.322 ( -2.911 1.676 0.000) 3.359 5.346 ( 5.202 4.991 0.000) 7.209 5.403 ( -0.991 4.347 0.000) 4.458 5.554 ( 3.812 0.611 0.000) 3.860 5.599 ( 3.345 -3.510 0.000) 4.849 5.603 ( -0.022 2.022 0.000) 2.022 5.621 ( 0.771 -2.535 0.000) 2.650 5.633 ( 7.420 -0.600 0.000) 7.444 5.703 ( 3.409 -1.235 0.000) 3.625 5.757 ( 1.416 -0.337 0.000) 1.456 5.775 ( -0.091 -0.582 0.000) 0.589 5.807 ( 0.520 4.008 0.000) 4.042 5.893 ( -5.302 1.484 0.000) 5.505 5.914 ( 2.923 0.168 0.000) 2.928 5.944 ( 0.680 -0.115 0.000) 0.690 5.989 ( 0.770 0.728 0.000) 1.059 6.016 ( -0.057 0.384 0.000) 0.388 6.027 ( 4.378 -3.308 0.000) 5.488 6.087 ( -1.733 -3.218 0.000) 3.655 6.622 ( 2.500 3.881 0.000) 4.616 6.680 ( -2.248 4.079 0.000) 4.657 6.772 ( 5.759 -0.797 0.000) 5.814 6.817 ( 7.707 1.323 0.000) 7.820 6.873 ( -3.797 -4.067 0.000) 5.564 6.969 ( -6.959 -4.240 0.000) 8.149 7.079 ( 8.309 2.063 0.000) 8.561 7.156 ( 0.394 0.251 0.000) 0.467 7.177 ( 0.720 0.335 0.000) 0.794 7.295 ( -8.525 3.253 0.000) 9.124 7.442 ( 2.018 -3.538 0.000) 4.073 7.462 ( -0.211 -4.792 0.000) 4.797 7.622 ( 9.540 0.833 0.000) 9.576 7.640 ( 1.686 -0.258 0.000) 1.706 7.657 ( 0.080 -0.325 0.000) 0.335 7.763 ( -2.745 -5.856 0.000) 6.467 8.017 ( -0.571 0.581 0.000) 0.814 8.043 ( -2.603 0.192 0.000) 2.610 8.305 ( 1.968 0.525 0.000) 2.037 8.329 ( -0.297 -0.406 0.000) 0.503 8.513 ( 4.874 1.410 0.000) 5.074 8.578 ( -0.933 -0.860 0.000) 1.269 8.836 ( 2.469 1.003 0.000) 2.665 8.867 ( -0.986 0.686 0.000) 1.202 8.881 ( -1.713 0.371 0.000) 1.752 8.900 ( -3.671 -0.320 0.000) 3.685 8.947 ( 7.765 -6.247 0.000) 9.966 9.080 ( -4.884 -9.496 0.000) 10.679 9.159 ( 4.189 1.570 0.000) 4.474 9.218 ( -0.999 -0.190 0.000) 1.017 9.329 ( 2.468 -0.113 0.000) 2.471 9.358 ( -0.532 -1.580 0.000) 1.667 9.474 ( 2.415 2.659 0.000) 3.592 9.516 ( 1.880 3.833 0.000) 4.269 9.557 ( -5.596 0.009 0.000) 5.596 9.578 ( -4.111 1.602 0.000) 4.412 9.934 ( 3.048 11.712 0.000) 12.102 9.983 ( -0.697 -0.871 0.000) 1.116 9.991 ( -0.530 -0.964 0.000) 1.100 10.001 ( -3.797 10.358 0.000) 11.032 10.028 ( 1.228 0.291 0.000) 1.262 10.081 ( -2.254 -1.185 0.000) 2.546 10.178 ( 2.364 0.003 0.000) 2.364 10.180 ( 6.344 0.794 0.000) 6.394 10.200 ( 0.635 -0.715 0.000) 0.956 10.282 ( -2.362 -2.587 0.000) 3.503 10.642 ( 8.804 1.673 0.000) 8.961 10.811 ( -7.022 -3.963 0.000) 8.063 11.077 ( 2.937 0.146 0.000) 2.940 11.080 ( 2.590 0.018 0.000) 2.591 11.092 ( 5.868 -0.576 0.000) 5.896 11.096 ( 5.411 -0.559 0.000) 5.440 11.184 ( -1.318 -0.338 0.000) 1.360 11.221 ( -2.276 0.091 0.000) 2.278 11.422 ( 4.765 -1.153 0.000) 4.903 11.503 ( -2.336 -1.694 0.000) 2.886 11.708 ( -0.651 -0.079 0.000) 0.656 11.710 ( -0.820 -0.119 0.000) 0.829 12.395 ( 5.468 8.490 0.000) 10.098 12.489 ( 0.701 -1.022 0.000) 1.239 12.500 ( -1.548 0.750 0.000) 1.721 12.697 ( -10.428 -1.602 0.000) 10.550 12.756 ( -0.706 -0.141 0.000) 0.720 12.798 ( -11.696 -0.688 0.000) 11.716 13.390 ( 0.011 0.515 0.000) 0.515 13.410 ( -1.854 0.065 0.000) 1.856 13.747 ( 3.232 0.997 0.000) 3.383 13.796 ( -1.388 -0.778 0.000) 1.591 14.946 ( 21.140 0.114 0.000) 21.141 14.953 ( 20.198 -0.111 0.000) 20.198 16.537 ( 54.133 19.314 0.000) 57.475 16.978 ( -27.602 0.503 0.000) 27.607 17.008 ( -30.140 -0.604 0.000) 30.146 17.496 ( -32.928 -3.438 0.000) 33.107 19.057 ( 4.316 0.781 0.000) 4.386 19.096 ( 0.550 -0.681 0.000) 0.875 19.228 ( 12.170 -31.103 0.000) 33.400 19.297 ( -0.173 0.010 0.000) 0.173 19.298 ( -0.280 -0.025 0.000) 0.282 19.458 ( -6.109 -27.466 0.000) 28.138 19.589 ( 0.359 0.011 0.000) 0.359 19.589 ( 0.328 0.010 0.000) 0.328 19.859 ( 3.865 -0.107 0.000) 3.867 19.861 ( 3.725 -0.107 0.000) 3.726 20.278 ( -3.212 2.197 0.000) 3.892 20.300 ( -2.147 3.653 0.000) 4.238 21.202 ( 15.348 -16.797 0.000) 22.753 21.432 ( 0.210 0.498 0.000) 0.540 21.438 ( -0.320 0.546 0.000) 0.633 21.481 ( -11.716 -23.503 0.000) 26.261 21.550 ( 1.450 0.014 0.000) 1.450 21.582 ( -1.595 -0.990 0.000) 1.877 23.832 ( -0.170 26.804 0.000) 26.804 23.855 ( -1.819 24.792 0.000) 24.859 24.638 ( 3.583 -8.909 0.000) 9.602 24.673 ( 0.014 -8.916 0.000) 8.916 27.265 ( 3.878 0.073 0.000) 3.878 27.269 ( 3.759 -0.052 0.000) 3.760 27.407 ( -2.573 0.120 0.000) 2.575 27.413 ( -2.935 -0.100 0.000) 2.936 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 -23.466 0.000) 23.466 0.986 ( 0.000 23.466 0.000) 23.466 1.131 ( 0.000 -21.517 0.000) 21.517 1.131 ( 0.000 21.517 0.000) 21.517 1.775 ( 0.000 -31.384 0.000) 31.384 1.775 ( 0.000 31.384 0.000) 31.384 2.095 ( 0.000 -1.950 0.000) 1.950 2.095 ( 0.000 1.950 0.000) 1.950 2.374 ( 0.000 -7.733 0.000) 7.733 2.374 ( 0.000 7.733 0.000) 7.733 2.390 ( 0.000 -11.469 0.000) 11.469 2.390 ( 0.000 11.469 0.000) 11.469 2.569 ( 0.000 -7.221 0.000) 7.221 2.569 ( 0.000 7.221 0.000) 7.221 2.594 ( 0.000 -1.055 0.000) 1.055 2.594 ( 0.000 1.055 0.000) 1.055 2.656 ( 0.000 -1.121 0.000) 1.121 2.656 ( 0.000 1.121 0.000) 1.121 2.730 ( 0.000 -0.671 0.000) 0.671 2.730 ( 0.000 0.671 0.000) 0.671 2.992 ( 0.000 -7.020 0.000) 7.020 2.992 ( 0.000 7.020 0.000) 7.020 3.063 ( 0.000 -14.829 0.000) 14.829 3.063 ( 0.000 14.829 0.000) 14.829 3.226 ( 0.000 -5.889 0.000) 5.889 3.226 ( 0.000 5.889 0.000) 5.889 3.331 ( 0.000 -4.017 0.000) 4.017 3.331 ( 0.000 4.017 0.000) 4.017 3.407 ( 0.000 -7.007 0.000) 7.007 3.407 ( 0.000 7.007 0.000) 7.007 3.492 ( 0.000 -6.786 0.000) 6.786 3.492 ( 0.000 6.786 0.000) 6.786 3.621 ( 0.000 -7.942 0.000) 7.942 3.621 ( 0.000 7.942 0.000) 7.942 3.656 ( 0.000 -8.502 0.000) 8.502 3.656 ( 0.000 8.502 0.000) 8.502 3.707 ( 0.000 -10.715 0.000) 10.715 3.707 ( 0.000 10.715 0.000) 10.715 3.965 ( 0.000 -1.533 0.000) 1.533 3.965 ( 0.000 1.533 0.000) 1.533 4.062 ( 0.000 -1.662 0.000) 1.662 4.062 ( 0.000 1.662 0.000) 1.662 4.380 ( 0.000 -0.910 0.000) 0.910 4.380 ( 0.000 0.910 0.000) 0.910 4.471 ( 0.000 -5.186 0.000) 5.186 4.471 ( 0.000 5.186 0.000) 5.186 4.600 ( 0.000 -7.777 0.000) 7.777 4.600 ( 0.000 7.777 0.000) 7.777 4.618 ( 0.000 -2.637 0.000) 2.637 4.618 ( 0.000 2.637 0.000) 2.637 4.655 ( 0.000 -1.365 0.000) 1.365 4.655 ( 0.000 1.365 0.000) 1.365 4.691 ( 0.000 -3.025 0.000) 3.025 4.691 ( 0.000 3.025 0.000) 3.025 4.817 ( 0.000 -0.479 0.000) 0.479 4.817 ( 0.000 0.479 0.000) 0.479 5.002 ( 0.000 -9.792 0.000) 9.792 5.002 ( 0.000 9.792 0.000) 9.792 5.038 ( 0.000 -1.295 0.000) 1.295 5.038 ( 0.000 1.295 0.000) 1.295 5.062 ( 0.000 -0.181 0.000) 0.181 5.062 ( 0.000 0.181 0.000) 0.181 5.302 ( 0.000 -2.340 0.000) 2.340 5.302 ( 0.000 2.340 0.000) 2.340 5.361 ( 0.000 -6.471 0.000) 6.471 5.361 ( 0.000 6.471 0.000) 6.471 5.484 ( 0.000 -3.736 0.000) 3.736 5.484 ( 0.000 3.736 0.000) 3.736 5.511 ( 0.000 -3.282 0.000) 3.282 5.511 ( 0.000 3.282 0.000) 3.282 5.725 ( 0.000 -1.044 0.000) 1.044 5.725 ( 0.000 1.044 0.000) 1.044 5.838 ( 0.000 -2.774 0.000) 2.774 5.838 ( 0.000 2.774 0.000) 2.774 5.892 ( 0.000 -1.847 0.000) 1.847 5.892 ( 0.000 1.847 0.000) 1.847 5.974 ( 0.000 -2.749 0.000) 2.749 5.974 ( 0.000 2.749 0.000) 2.749 6.045 ( 0.000 -6.253 0.000) 6.253 6.045 ( 0.000 6.253 0.000) 6.253 6.539 ( 0.000 -2.690 0.000) 2.690 6.539 ( 0.000 2.690 0.000) 2.690 6.661 ( 0.000 -0.275 0.000) 0.275 6.661 ( 0.000 0.275 0.000) 0.275 6.870 ( 0.000 -13.149 0.000) 13.149 6.870 ( 0.000 13.149 0.000) 13.149 7.083 ( 0.000 -2.995 0.000) 2.995 7.083 ( 0.000 2.995 0.000) 2.995 7.140 ( 0.000 -0.282 0.000) 0.282 7.140 ( 0.000 0.282 0.000) 0.282 7.369 ( 0.000 -4.125 0.000) 4.125 7.369 ( 0.000 4.125 0.000) 4.125 7.563 ( 0.000 -0.814 0.000) 0.814 7.563 ( 0.000 0.814 0.000) 0.814 7.611 ( 0.000 -2.285 0.000) 2.285 7.611 ( 0.000 2.285 0.000) 2.285 8.139 ( 0.000 -2.610 0.000) 2.610 8.139 ( 0.000 2.610 0.000) 2.610 8.269 ( 0.000 -1.804 0.000) 1.804 8.269 ( 0.000 1.804 0.000) 1.804 8.458 ( 0.000 -4.555 0.000) 4.555 8.458 ( 0.000 4.555 0.000) 4.555 8.782 ( 0.000 -7.281 0.000) 7.281 8.782 ( 0.000 7.281 0.000) 7.281 8.897 ( 0.000 -3.697 0.000) 3.697 8.897 ( 0.000 3.697 0.000) 3.697 8.961 ( 0.000 -0.372 0.000) 0.372 8.961 ( 0.000 0.372 0.000) 0.372 9.153 ( 0.000 -2.672 0.000) 2.672 9.153 ( 0.000 2.672 0.000) 2.672 9.314 ( 0.000 -2.120 0.000) 2.120 9.314 ( 0.000 2.120 0.000) 2.120 9.592 ( 0.000 -7.731 0.000) 7.731 9.592 ( 0.000 7.731 0.000) 7.731 9.595 ( 0.000 -4.830 0.000) 4.830 9.595 ( 0.000 4.830 0.000) 4.830 10.019 ( 0.000 -9.861 0.000) 9.861 10.019 ( 0.000 9.861 0.000) 9.861 10.019 ( 0.000 -0.462 0.000) 0.462 10.019 ( 0.000 0.462 0.000) 0.462 10.081 ( 0.000 -2.104 0.000) 2.104 10.081 ( 0.000 2.104 0.000) 2.104 10.136 ( 0.000 -1.204 0.000) 1.204 10.136 ( 0.000 1.204 0.000) 1.204 10.204 ( 0.000 -4.844 0.000) 4.844 10.204 ( 0.000 4.844 0.000) 4.844 10.617 ( 0.000 -7.169 0.000) 7.169 10.617 ( 0.000 7.169 0.000) 7.169 10.791 ( 0.000 -3.967 0.000) 3.967 10.791 ( 0.000 3.967 0.000) 3.967 10.928 ( 0.000 -0.304 0.000) 0.304 10.928 ( 0.000 0.304 0.000) 0.304 11.175 ( 0.000 -1.592 0.000) 1.592 11.175 ( 0.000 1.592 0.000) 1.592 11.479 ( 0.000 -2.518 0.000) 2.518 11.479 ( 0.000 2.518 0.000) 2.518 11.741 ( 0.000 -0.265 0.000) 0.265 11.741 ( 0.000 0.265 0.000) 0.265 12.479 ( 0.000 -1.326 0.000) 1.326 12.479 ( 0.000 1.326 0.000) 1.326 12.759 ( 0.000 -1.262 0.000) 1.262 12.759 ( 0.000 1.262 0.000) 1.262 13.426 ( 0.000 -1.139 0.000) 1.139 13.426 ( 0.000 1.139 0.000) 1.139 13.698 ( 0.000 -5.843 0.000) 5.843 13.698 ( 0.000 5.843 0.000) 5.843 13.749 ( 0.000 -6.627 0.000) 6.627 13.749 ( 0.000 6.627 0.000) 6.627 14.265 ( 0.000 -1.184 0.000) 1.184 14.265 ( 0.000 1.184 0.000) 1.184 15.127 ( 0.000 -4.420 0.000) 4.420 15.127 ( 0.000 4.420 0.000) 4.420 18.440 ( 0.000 -0.346 0.000) 0.346 18.440 ( 0.000 0.346 0.000) 0.346 18.632 ( 0.000 -3.195 0.000) 3.195 18.632 ( 0.000 3.195 0.000) 3.195 19.208 ( 0.000 -5.804 0.000) 5.804 19.208 ( 0.000 5.804 0.000) 5.804 19.312 ( 0.000 -0.126 0.000) 0.126 19.312 ( 0.000 0.126 0.000) 0.126 19.540 ( 0.000 -0.130 0.000) 0.130 19.540 ( 0.000 0.130 0.000) 0.130 19.674 ( 0.000 -0.099 0.000) 0.099 19.674 ( 0.000 0.099 0.000) 0.099 20.629 ( 0.000 -1.460 0.000) 1.460 20.629 ( 0.000 1.460 0.000) 1.460 21.055 ( 0.000 -30.474 0.000) 30.474 21.055 ( 0.000 30.474 0.000) 30.474 21.436 ( 0.000 -0.318 0.000) 0.318 21.436 ( 0.000 0.318 0.000) 0.318 21.572 ( 0.000 -2.717 0.000) 2.717 21.572 ( 0.000 2.717 0.000) 2.717 24.272 ( 0.000 -11.368 0.000) 11.368 24.272 ( 0.000 11.368 0.000) 11.368 24.360 ( 0.000 -17.644 0.000) 17.644 24.360 ( 0.000 17.644 0.000) 17.644 27.141 ( 0.000 -0.075 0.000) 0.075 27.141 ( 0.000 0.075 0.000) 0.075 27.484 ( 0.000 -0.287 0.000) 0.287 27.484 ( 0.000 0.287 0.000) 0.287 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 10.106 -19.179 0.000) 21.678 1.130 ( 10.106 19.179 0.000) 21.678 1.238 ( 9.719 -18.128 0.000) 20.569 1.238 ( 9.719 18.128 0.000) 20.569 1.870 ( 1.654 -11.329 0.000) 11.449 1.870 ( 1.654 11.329 0.000) 11.449 2.003 ( -8.095 -1.473 0.000) 8.228 2.003 ( -8.095 1.473 0.000) 8.228 2.166 ( -2.083 -15.119 0.000) 15.262 2.166 ( -2.083 15.119 0.000) 15.262 2.398 ( 1.613 -4.929 0.000) 5.186 2.398 ( 1.613 4.929 0.000) 5.186 2.643 ( 4.530 -2.415 0.000) 5.134 2.643 ( 4.530 2.415 0.000) 5.134 2.671 ( 3.074 -1.132 0.000) 3.276 2.671 ( 3.074 1.132 0.000) 3.276 2.740 ( 1.376 -1.058 0.000) 1.736 2.740 ( 1.376 1.058 0.000) 1.736 2.815 ( 11.477 -1.165 0.000) 11.536 2.815 ( 11.477 1.165 0.000) 11.536 2.978 ( -1.131 -4.927 0.000) 5.056 2.978 ( -1.131 4.927 0.000) 5.056 3.060 ( 0.436 -7.029 0.000) 7.042 3.060 ( 0.436 7.029 0.000) 7.042 3.232 ( 0.442 -5.132 0.000) 5.151 3.232 ( 0.442 5.132 0.000) 5.151 3.320 ( -1.298 -3.145 0.000) 3.403 3.320 ( -1.298 3.145 0.000) 3.403 3.392 ( -1.327 -5.408 0.000) 5.569 3.392 ( -1.327 5.408 0.000) 5.569 3.470 ( -2.854 -4.718 0.000) 5.514 3.470 ( -2.854 4.718 0.000) 5.514 3.528 ( -9.533 -4.452 0.000) 10.521 3.528 ( -9.533 4.452 0.000) 10.521 3.584 ( -5.967 -5.068 0.000) 7.829 3.584 ( -5.967 5.068 0.000) 7.829 3.721 ( 1.457 -11.189 0.000) 11.284 3.721 ( 1.457 11.189 0.000) 11.284 3.905 ( -8.880 -4.818 0.000) 10.103 3.905 ( -8.880 4.818 0.000) 10.103 4.073 ( 0.391 -2.145 0.000) 2.181 4.073 ( 0.391 2.145 0.000) 2.181 4.214 ( -21.836 -6.727 0.000) 22.849 4.214 ( -21.836 6.727 0.000) 22.849 4.248 ( -11.539 -3.382 0.000) 12.025 4.248 ( -11.539 3.382 0.000) 12.025 4.444 ( -5.935 -2.288 0.000) 6.360 4.444 ( -5.935 2.288 0.000) 6.360 4.553 ( 2.783 -3.154 0.000) 4.207 4.553 ( 2.783 3.154 0.000) 4.207 4.647 ( -0.318 -1.003 0.000) 1.053 4.647 ( -0.318 1.003 0.000) 1.053 4.729 ( 2.904 -2.278 0.000) 3.691 4.729 ( 2.904 2.278 0.000) 3.691 4.866 ( -0.194 -0.405 0.000) 0.449 4.866 ( -0.194 0.405 0.000) 0.449 4.976 ( -4.112 -5.266 0.000) 6.682 4.976 ( -4.112 5.266 0.000) 6.682 5.016 ( -0.827 -8.751 0.000) 8.790 5.016 ( -0.827 8.751 0.000) 8.790 5.281 ( 14.154 -5.941 0.000) 15.350 5.281 ( 14.154 5.941 0.000) 15.350 5.327 ( 0.220 -3.895 0.000) 3.901 5.327 ( 0.220 3.895 0.000) 3.901 5.461 ( 6.591 -1.825 0.000) 6.840 5.461 ( 6.591 1.825 0.000) 6.840 5.508 ( 2.013 -4.131 0.000) 4.595 5.508 ( 2.013 4.131 0.000) 4.595 5.585 ( 6.539 -1.211 0.000) 6.650 5.585 ( 6.539 1.211 0.000) 6.650 5.736 ( 1.069 -1.023 0.000) 1.480 5.736 ( 1.069 1.023 0.000) 1.480 5.859 ( 1.615 -2.094 0.000) 2.644 5.859 ( 1.615 2.094 0.000) 2.644 5.910 ( 1.395 -2.068 0.000) 2.495 5.910 ( 1.395 2.068 0.000) 2.495 5.980 ( 0.861 -1.848 0.000) 2.039 5.980 ( 0.861 1.848 0.000) 2.039 6.025 ( -1.098 -4.743 0.000) 4.868 6.025 ( -1.098 4.743 0.000) 4.868 6.619 ( 4.061 -2.658 0.000) 4.854 6.619 ( 4.061 2.658 0.000) 4.854 6.769 ( 6.332 -5.206 0.000) 8.197 6.769 ( 6.332 5.206 0.000) 8.197 6.871 ( 0.089 -10.575 0.000) 10.575 6.871 ( 0.089 10.575 0.000) 10.575 7.084 ( 1.038 -5.274 0.000) 5.375 7.084 ( 1.038 5.274 0.000) 5.375 7.206 ( 5.093 -4.983 0.000) 7.125 7.206 ( 5.093 4.983 0.000) 7.125 7.392 ( 1.688 -2.133 0.000) 2.721 7.392 ( 1.688 2.133 0.000) 2.721 7.567 ( 1.894 -3.530 0.000) 4.006 7.567 ( 1.894 3.530 0.000) 4.006 7.624 ( 1.115 -1.698 0.000) 2.031 7.624 ( 1.115 1.698 0.000) 2.031 8.100 ( -3.309 -1.905 0.000) 3.818 8.100 ( -3.309 1.905 0.000) 3.818 8.287 ( 1.574 -1.536 0.000) 2.199 8.287 ( 1.574 1.536 0.000) 2.199 8.487 ( 2.732 -3.895 0.000) 4.758 8.487 ( 2.732 3.895 0.000) 4.758 8.813 ( 2.605 -4.156 0.000) 4.905 8.813 ( 2.605 4.156 0.000) 4.905 8.912 ( 0.954 -5.395 0.000) 5.478 8.912 ( 0.954 5.395 0.000) 5.478 8.951 ( -1.827 -0.818 0.000) 2.002 8.951 ( -1.827 0.818 0.000) 2.002 9.169 ( 1.507 -2.993 0.000) 3.351 9.169 ( 1.507 2.993 0.000) 3.351 9.312 ( 0.448 -2.050 0.000) 2.099 9.312 ( 0.448 2.050 0.000) 2.099 9.570 ( -1.886 -6.178 0.000) 6.459 9.570 ( -1.886 6.178 0.000) 6.459 9.591 ( -0.465 -4.221 0.000) 4.246 9.591 ( -0.465 4.221 0.000) 4.246 10.009 ( -1.121 -2.086 0.000) 2.368 10.009 ( -1.121 2.086 0.000) 2.368 10.054 ( 3.122 -8.050 0.000) 8.634 10.054 ( 3.122 8.050 0.000) 8.634 10.064 ( -1.759 -1.013 0.000) 2.030 10.064 ( -1.759 1.013 0.000) 2.030 10.148 ( 1.817 -0.158 0.000) 1.824 10.148 ( 1.817 0.158 0.000) 1.824 10.213 ( 0.165 -3.261 0.000) 3.265 10.213 ( 0.165 3.261 0.000) 3.265 10.656 ( 3.044 -9.593 0.000) 10.064 10.656 ( 3.044 9.593 0.000) 10.064 10.900 ( 9.916 -2.669 0.000) 10.269 10.900 ( 9.916 2.669 0.000) 10.269 10.990 ( 5.040 -0.246 0.000) 5.046 10.990 ( 5.040 0.246 0.000) 5.046 11.176 ( 0.183 -2.355 0.000) 2.362 11.176 ( 0.183 2.355 0.000) 2.362 11.474 ( -0.700 -3.217 0.000) 3.293 11.474 ( -0.700 3.217 0.000) 3.293 11.729 ( -1.056 -0.172 0.000) 1.069 11.729 ( -1.056 0.172 0.000) 1.069 12.471 ( -0.636 -0.794 0.000) 1.017 12.471 ( -0.636 0.794 0.000) 1.017 12.743 ( -1.518 -0.925 0.000) 1.778 12.743 ( -1.518 0.925 0.000) 1.778 13.137 ( -31.762 -11.297 0.000) 33.712 13.137 ( -31.762 11.297 0.000) 33.712 13.424 ( -1.502 -1.255 0.000) 1.957 13.424 ( -1.502 1.255 0.000) 1.957 13.753 ( 1.087 -3.042 0.000) 3.231 13.753 ( 1.087 3.042 0.000) 3.231 14.474 ( 19.820 -0.832 0.000) 19.837 14.474 ( 19.820 0.832 0.000) 19.837 16.058 ( 62.786 -38.399 0.000) 73.597 16.058 ( 62.786 38.399 0.000) 73.597 17.781 ( -41.772 -1.744 0.000) 41.808 17.781 ( -41.772 1.744 0.000) 41.808 18.952 ( 11.266 -2.636 0.000) 11.571 18.952 ( 11.266 2.636 0.000) 11.571 19.206 ( -3.608 -7.070 0.000) 7.937 19.206 ( -3.608 7.070 0.000) 7.937 19.305 ( -0.476 -0.096 0.000) 0.486 19.305 ( -0.476 0.096 0.000) 0.486 19.571 ( 1.656 -0.037 0.000) 1.657 19.571 ( 1.656 0.037 0.000) 1.657 19.739 ( 6.242 -0.117 0.000) 6.243 19.739 ( 6.242 0.117 0.000) 6.243 20.429 ( -11.895 -2.727 0.000) 12.204 20.429 ( -11.895 2.727 0.000) 12.204 21.124 ( 2.462 -20.053 0.000) 20.204 21.124 ( 2.462 20.053 0.000) 20.204 21.438 ( 0.197 -0.424 0.000) 0.467 21.438 ( 0.197 0.424 0.000) 0.467 21.567 ( -0.404 -2.249 0.000) 2.285 21.567 ( -0.404 2.249 0.000) 2.285 24.255 ( -1.533 -4.977 0.000) 5.208 24.255 ( -1.533 4.977 0.000) 5.208 24.394 ( 3.193 -9.780 0.000) 10.288 24.394 ( 3.193 9.780 0.000) 10.288 27.181 ( 3.723 -0.085 0.000) 3.724 27.181 ( 3.723 0.085 0.000) 3.724 27.463 ( -1.973 -0.259 0.000) 1.990 27.463 ( -1.973 0.259 0.000) 1.990 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 8.212 -11.987 0.000) 14.530 1.317 ( 8.212 11.987 0.000) 14.530 1.470 ( 11.297 -10.482 0.000) 15.411 1.470 ( 11.297 10.482 0.000) 15.411 1.660 ( -12.196 -7.452 0.000) 14.293 1.660 ( -12.196 7.452 0.000) 14.293 1.806 ( -10.034 -4.830 0.000) 11.136 1.806 ( -10.034 4.830 0.000) 11.136 2.422 ( 0.620 -1.534 0.000) 1.654 2.422 ( 0.620 1.534 0.000) 1.654 2.497 ( 19.912 -10.473 0.000) 22.498 2.497 ( 19.912 10.473 0.000) 22.498 2.713 ( 1.089 -1.009 0.000) 1.484 2.713 ( 1.089 1.009 0.000) 1.484 2.730 ( 1.823 -0.918 0.000) 2.041 2.730 ( 1.823 0.918 0.000) 2.041 2.852 ( 10.998 -2.975 0.000) 11.393 2.852 ( 10.998 2.975 0.000) 11.393 2.927 ( 0.830 -3.158 0.000) 3.265 2.927 ( 0.830 3.158 0.000) 3.265 3.009 ( 4.436 -7.814 0.000) 8.986 3.009 ( 4.436 7.814 0.000) 8.986 3.149 ( 9.205 -2.505 0.000) 9.540 3.149 ( 9.205 2.505 0.000) 9.540 3.158 ( -14.640 -2.025 0.000) 14.779 3.158 ( -14.640 2.025 0.000) 14.779 3.258 ( -0.697 -2.661 0.000) 2.751 3.258 ( -0.697 2.661 0.000) 2.751 3.280 ( -11.439 -1.718 0.000) 11.567 3.280 ( -11.439 1.718 0.000) 11.567 3.353 ( -2.491 -2.489 0.000) 3.521 3.353 ( -2.491 2.489 0.000) 3.521 3.388 ( -3.323 -4.881 0.000) 5.905 3.388 ( -3.323 4.881 0.000) 5.905 3.494 ( -9.383 -1.802 0.000) 9.554 3.494 ( -9.383 1.802 0.000) 9.554 3.560 ( -11.730 -5.862 0.000) 13.113 3.560 ( -11.730 5.862 0.000) 13.113 3.766 ( 2.901 -10.309 0.000) 10.709 3.766 ( 2.901 10.309 0.000) 10.709 3.909 ( -8.309 -8.758 0.000) 12.073 3.909 ( -8.309 8.758 0.000) 12.073 4.073 ( 0.491 -3.167 0.000) 3.205 4.073 ( 0.491 3.167 0.000) 3.205 4.121 ( -2.447 -3.053 0.000) 3.912 4.121 ( -2.447 3.053 0.000) 3.912 4.359 ( -1.893 -1.107 0.000) 2.193 4.359 ( -1.893 1.107 0.000) 2.193 4.624 ( 2.050 -0.897 0.000) 2.238 4.624 ( 2.050 0.897 0.000) 2.238 4.642 ( -0.196 -0.402 0.000) 0.448 4.642 ( -0.196 0.402 0.000) 0.448 4.763 ( 0.531 -1.332 0.000) 1.434 4.763 ( 0.531 1.332 0.000) 1.434 4.855 ( -0.433 -0.165 0.000) 0.463 4.855 ( -0.433 0.165 0.000) 0.463 4.934 ( 0.116 -4.921 0.000) 4.922 4.934 ( 0.116 4.921 0.000) 4.922 4.980 ( -2.151 -5.336 0.000) 5.753 4.980 ( -2.151 5.336 0.000) 5.753 5.325 ( -0.039 -1.472 0.000) 1.472 5.325 ( -0.039 1.472 0.000) 1.472 5.456 ( 3.431 -3.339 0.000) 4.788 5.456 ( 3.431 3.339 0.000) 4.788 5.549 ( 1.506 -2.522 0.000) 2.937 5.549 ( 1.506 2.522 0.000) 2.937 5.588 ( 5.007 -2.217 0.000) 5.476 5.588 ( 5.007 2.217 0.000) 5.476 5.663 ( 0.454 -2.252 0.000) 2.297 5.663 ( 0.454 2.252 0.000) 2.297 5.761 ( 0.995 -0.602 0.000) 1.163 5.761 ( 0.995 0.602 0.000) 1.163 5.897 ( 1.741 -3.771 0.000) 4.154 5.897 ( 1.741 3.771 0.000) 4.154 5.927 ( 0.173 -0.980 0.000) 0.995 5.927 ( 0.173 0.980 0.000) 0.995 6.005 ( -0.869 -3.548 0.000) 3.653 6.005 ( -0.869 3.548 0.000) 3.653 6.013 ( 1.634 -0.843 0.000) 1.838 6.013 ( 1.634 0.843 0.000) 1.838 6.701 ( 3.782 -2.290 0.000) 4.421 6.701 ( 3.782 2.290 0.000) 4.421 6.797 ( -1.807 -2.896 0.000) 3.414 6.797 ( -1.807 2.896 0.000) 3.414 6.873 ( 0.059 -4.017 0.000) 4.017 6.873 ( 0.059 4.017 0.000) 4.017 7.107 ( 0.636 -2.376 0.000) 2.459 7.107 ( 0.636 2.376 0.000) 2.459 7.298 ( 3.998 -7.788 0.000) 8.754 7.298 ( 3.998 7.788 0.000) 8.754 7.376 ( -3.044 -3.791 0.000) 4.862 7.376 ( -3.044 3.791 0.000) 4.862 7.645 ( 0.683 -0.580 0.000) 0.896 7.645 ( 0.683 0.580 0.000) 0.896 7.665 ( 4.860 -3.222 0.000) 5.831 7.665 ( 4.860 3.222 0.000) 5.831 8.034 ( -2.386 -0.794 0.000) 2.515 8.034 ( -2.386 0.794 0.000) 2.515 8.317 ( 1.018 -0.619 0.000) 1.191 8.317 ( 1.018 0.619 0.000) 1.191 8.549 ( 2.501 -1.733 0.000) 3.043 8.549 ( 2.501 1.733 0.000) 3.043 8.865 ( 1.976 -1.584 0.000) 2.532 8.865 ( 1.976 1.584 0.000) 2.532 8.891 ( -2.807 -0.498 0.000) 2.851 8.891 ( -2.807 0.498 0.000) 2.851 8.919 ( -0.233 -4.572 0.000) 4.578 8.919 ( -0.233 4.572 0.000) 4.578 9.193 ( 0.578 -1.670 0.000) 1.767 9.193 ( 0.578 1.670 0.000) 1.767 9.341 ( 1.549 -0.707 0.000) 1.702 9.341 ( 1.549 0.707 0.000) 1.702 9.534 ( -1.169 -2.323 0.000) 2.601 9.534 ( -1.169 2.323 0.000) 2.601 9.580 ( -0.402 -1.662 0.000) 1.710 9.580 ( -0.402 1.662 0.000) 1.710 9.973 ( -1.490 -0.268 0.000) 1.514 9.973 ( -1.490 0.268 0.000) 1.514 10.049 ( 0.029 -1.554 0.000) 1.554 10.049 ( 0.029 1.554 0.000) 1.554 10.125 ( 3.295 -5.042 0.000) 6.023 10.125 ( 3.295 5.042 0.000) 6.023 10.184 ( 1.160 -0.590 0.000) 1.302 10.184 ( 1.160 0.590 0.000) 1.302 10.195 ( -1.827 -5.527 0.000) 5.821 10.195 ( -1.827 5.527 0.000) 5.821 10.710 ( 1.706 -4.668 0.000) 4.970 10.710 ( 1.706 4.668 0.000) 4.970 11.080 ( 2.807 -0.106 0.000) 2.809 11.080 ( 2.807 0.106 0.000) 2.809 11.091 ( 5.597 -0.236 0.000) 5.602 11.091 ( 5.597 0.236 0.000) 5.602 11.193 ( 2.098 -1.560 0.000) 2.614 11.193 ( 2.098 1.560 0.000) 2.614 11.448 ( -1.598 -2.949 0.000) 3.354 11.448 ( -1.598 2.949 0.000) 3.354 11.707 ( -0.753 -0.042 0.000) 0.754 11.707 ( -0.753 0.042 0.000) 0.754 12.465 ( 0.397 -0.931 0.000) 1.013 12.465 ( 0.397 0.931 0.000) 1.013 12.628 ( -10.582 -6.325 0.000) 12.328 12.628 ( -10.582 6.325 0.000) 12.328 12.762 ( -3.095 -1.392 0.000) 3.393 12.762 ( -3.095 1.392 0.000) 3.393 13.404 ( -0.565 -0.623 0.000) 0.842 13.404 ( -0.565 0.623 0.000) 0.842 13.773 ( 0.616 -1.288 0.000) 1.428 13.773 ( 0.616 1.288 0.000) 1.428 14.950 ( 20.654 -0.159 0.000) 20.654 14.950 ( 20.654 0.159 0.000) 20.654 16.992 ( -28.845 -0.782 0.000) 28.855 16.992 ( -28.845 0.782 0.000) 28.855 17.103 ( 33.227 -30.355 0.000) 45.005 17.103 ( 33.227 30.355 0.000) 45.005 18.980 ( -14.088 -12.946 0.000) 19.133 18.980 ( -14.088 12.946 0.000) 19.133 19.077 ( 2.464 -1.039 0.000) 2.674 19.077 ( 2.464 1.039 0.000) 2.674 19.297 ( -0.234 -0.025 0.000) 0.236 19.297 ( -0.234 0.025 0.000) 0.236 19.589 ( 0.357 -0.013 0.000) 0.357 19.589 ( 0.357 0.013 0.000) 0.357 19.858 ( 3.741 -0.062 0.000) 3.742 19.858 ( 3.741 0.062 0.000) 3.742 20.328 ( 0.453 -1.409 0.000) 1.480 20.328 ( 0.453 1.409 0.000) 1.480 21.120 ( -1.455 -7.935 0.000) 8.067 21.120 ( -1.455 7.935 0.000) 8.067 21.442 ( 0.146 -0.252 0.000) 0.291 21.442 ( 0.146 0.252 0.000) 0.291 21.559 ( -0.272 -0.901 0.000) 0.941 21.559 ( -0.272 0.901 0.000) 0.941 24.227 ( -0.817 -0.869 0.000) 1.193 24.227 ( -0.817 0.869 0.000) 1.193 24.457 ( 2.103 -2.344 0.000) 3.149 24.457 ( 2.103 2.344 0.000) 3.149 27.267 ( 3.821 -0.088 0.000) 3.822 27.267 ( 3.821 0.088 0.000) 3.822 27.410 ( -2.756 -0.156 0.000) 2.760 27.410 ( -2.756 0.156 0.000) 2.760 ======================= Grid point 25 (10/36) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 0.000 28.922) 28.922 0.541 ( 0.000 0.000 27.981) 27.981 1.117 ( 0.000 0.000 54.115) 54.115 1.713 ( 0.000 0.000 12.449) 12.449 1.801 ( 0.000 0.000 5.236) 5.236 2.121 ( 0.000 0.000 5.703) 5.703 2.175 ( 0.000 0.000 -0.661) 0.661 2.320 ( 0.000 0.000 20.081) 20.081 2.393 ( 0.000 0.000 6.090) 6.090 2.433 ( 0.000 0.000 -11.256) 11.256 2.449 ( 0.000 0.000 16.985) 16.985 2.485 ( 0.000 0.000 3.103) 3.103 2.552 ( 0.000 0.000 18.235) 18.235 2.567 ( 0.000 0.000 -7.294) 7.294 2.589 ( 0.000 0.000 -1.600) 1.600 2.605 ( 0.000 0.000 -4.826) 4.826 2.662 ( 0.000 0.000 0.861) 0.861 2.680 ( 0.000 0.000 -1.971) 1.971 2.782 ( 0.000 0.000 1.443) 1.443 2.865 ( 0.000 0.000 -2.191) 2.191 2.897 ( 0.000 0.000 3.584) 3.584 3.063 ( 0.000 0.000 19.953) 19.953 3.122 ( 0.000 0.000 -2.665) 2.665 3.153 ( 0.000 0.000 -7.543) 7.543 3.181 ( 0.000 0.000 -0.396) 0.396 3.300 ( 0.000 0.000 -8.327) 8.327 3.320 ( 0.000 0.000 -1.402) 1.402 3.323 ( 0.000 0.000 -1.246) 1.246 3.401 ( 0.000 0.000 -0.393) 0.393 3.450 ( 0.000 0.000 -2.566) 2.566 3.469 ( 0.000 0.000 9.180) 9.180 3.556 ( 0.000 0.000 5.212) 5.212 3.567 ( 0.000 0.000 14.024) 14.024 3.626 ( 0.000 0.000 18.705) 18.705 3.642 ( 0.000 0.000 14.500) 14.500 3.917 ( 0.000 0.000 1.936) 1.936 3.931 ( 0.000 0.000 1.816) 1.816 3.943 ( 0.000 0.000 -6.379) 6.379 3.980 ( 0.000 0.000 4.053) 4.053 4.094 ( 0.000 0.000 3.692) 3.692 4.167 ( 0.000 0.000 -0.028) 0.028 4.169 ( 0.000 0.000 2.704) 2.704 4.259 ( 0.000 0.000 -6.257) 6.257 4.306 ( 0.000 0.000 2.299) 2.299 4.317 ( 0.000 0.000 0.529) 0.529 4.354 ( 0.000 0.000 5.427) 5.427 4.373 ( 0.000 0.000 5.873) 5.873 4.563 ( 0.000 0.000 -9.998) 9.998 4.573 ( 0.000 0.000 -1.854) 1.854 4.606 ( 0.000 0.000 -0.570) 0.570 4.627 ( 0.000 0.000 -0.256) 0.256 4.700 ( 0.000 0.000 3.526) 3.526 4.700 ( 0.000 0.000 3.811) 3.811 4.706 ( 0.000 0.000 2.893) 2.893 4.841 ( 0.000 0.000 1.415) 1.415 4.843 ( 0.000 0.000 0.913) 0.913 4.860 ( 0.000 0.000 -1.542) 1.542 4.868 ( 0.000 0.000 -2.358) 2.358 4.954 ( 0.000 0.000 -3.714) 3.714 5.121 ( 0.000 0.000 -0.523) 0.523 5.124 ( 0.000 0.000 7.911) 7.911 5.190 ( 0.000 0.000 9.746) 9.746 5.284 ( 0.000 0.000 -1.974) 1.974 5.358 ( 0.000 0.000 -0.308) 0.308 5.367 ( 0.000 0.000 -6.604) 6.604 5.451 ( 0.000 0.000 0.059) 0.059 5.478 ( 0.000 0.000 15.834) 15.834 5.484 ( 0.000 0.000 0.673) 0.673 5.496 ( 0.000 0.000 2.401) 2.401 5.657 ( 0.000 0.000 0.352) 0.352 5.669 ( 0.000 0.000 2.143) 2.143 5.782 ( 0.000 0.000 -0.163) 0.163 5.792 ( 0.000 0.000 0.461) 0.461 5.828 ( 0.000 0.000 -1.036) 1.036 5.851 ( 0.000 0.000 -0.712) 0.712 5.884 ( 0.000 0.000 -2.372) 2.372 5.952 ( 0.000 0.000 -1.126) 1.126 5.964 ( 0.000 0.000 5.207) 5.207 6.044 ( 0.000 0.000 0.732) 0.732 6.107 ( 0.000 0.000 0.639) 0.639 6.344 ( 0.000 0.000 -6.129) 6.129 6.501 ( 0.000 0.000 -2.250) 2.250 6.552 ( 0.000 0.000 -1.767) 1.767 6.573 ( 0.000 0.000 -9.716) 9.716 6.636 ( 0.000 0.000 -8.530) 8.530 6.870 ( 0.000 0.000 0.840) 0.840 7.063 ( 0.000 0.000 -7.205) 7.205 7.096 ( 0.000 0.000 -3.024) 3.024 7.121 ( 0.000 0.000 -3.961) 3.961 7.170 ( 0.000 0.000 -4.197) 4.197 7.313 ( 0.000 0.000 1.731) 1.731 7.470 ( 0.000 0.000 -5.516) 5.516 7.496 ( 0.000 0.000 -2.704) 2.704 7.526 ( 0.000 0.000 -1.064) 1.064 7.546 ( 0.000 0.000 1.262) 1.262 7.697 ( 0.000 0.000 7.147) 7.147 7.978 ( 0.000 0.000 -4.791) 4.791 8.011 ( 0.000 0.000 -5.869) 5.869 8.179 ( 0.000 0.000 -4.984) 4.984 8.206 ( 0.000 0.000 -12.023) 12.023 8.421 ( 0.000 0.000 -11.901) 11.901 8.671 ( 0.000 0.000 -13.692) 13.692 8.685 ( 0.000 0.000 -15.127) 15.127 8.915 ( 0.000 0.000 23.462) 23.462 8.928 ( 0.000 0.000 -3.242) 3.242 8.956 ( 0.000 0.000 0.288) 0.288 9.076 ( 0.000 0.000 -17.363) 17.363 9.118 ( 0.000 0.000 3.464) 3.464 9.191 ( 0.000 0.000 -0.268) 0.268 9.313 ( 0.000 0.000 1.075) 1.075 9.390 ( 0.000 0.000 -0.886) 0.886 9.432 ( 0.000 0.000 2.387) 2.387 9.438 ( 0.000 0.000 -11.055) 11.055 9.461 ( 0.000 0.000 -18.154) 18.154 9.723 ( 0.000 0.000 -6.243) 6.243 9.741 ( 0.000 0.000 1.302) 1.302 9.799 ( 0.000 0.000 -7.478) 7.478 9.964 ( 0.000 0.000 5.710) 5.710 9.969 ( 0.000 0.000 4.250) 4.250 10.012 ( 0.000 0.000 1.995) 1.995 10.072 ( 0.000 0.000 -8.309) 8.309 10.081 ( 0.000 0.000 -0.880) 0.880 10.184 ( 0.000 0.000 5.119) 5.119 10.222 ( 0.000 0.000 -0.986) 0.986 10.366 ( 0.000 0.000 16.946) 16.946 10.513 ( 0.000 0.000 14.419) 14.419 10.639 ( 0.000 0.000 9.693) 9.693 10.806 ( 0.000 0.000 -9.040) 9.040 10.952 ( 0.000 0.000 -1.539) 1.539 11.010 ( 0.000 0.000 5.209) 5.209 11.035 ( 0.000 0.000 6.780) 6.780 11.131 ( 0.000 0.000 -0.259) 0.259 11.298 ( 0.000 0.000 6.620) 6.620 11.311 ( 0.000 0.000 -0.543) 0.543 11.554 ( 0.000 0.000 5.306) 5.306 11.672 ( 0.000 0.000 -0.077) 0.077 11.724 ( 0.000 0.000 -1.203) 1.203 11.828 ( 0.000 0.000 -7.241) 7.241 12.060 ( 0.000 0.000 2.634) 2.634 12.503 ( 0.000 0.000 1.816) 1.816 12.546 ( 0.000 0.000 -2.943) 2.943 12.703 ( 0.000 0.000 -3.403) 3.403 12.774 ( 0.000 0.000 -2.432) 2.432 13.227 ( 0.000 0.000 -17.498) 17.498 13.344 ( 0.000 0.000 -17.424) 17.424 13.359 ( 0.000 0.000 -11.639) 11.639 13.451 ( 0.000 0.000 -5.013) 5.013 13.617 ( 0.000 0.000 -17.312) 17.312 14.319 ( 0.000 0.000 6.939) 6.939 14.369 ( 0.000 0.000 6.389) 6.389 14.981 ( 0.000 0.000 -3.103) 3.103 14.995 ( 0.000 0.000 -1.979) 1.979 18.464 ( 0.000 0.000 2.470) 2.470 18.523 ( 0.000 0.000 2.737) 2.737 18.525 ( 0.000 0.000 2.171) 2.171 18.796 ( 0.000 0.000 8.185) 8.185 18.958 ( 0.000 0.000 -13.255) 13.255 19.052 ( 0.000 0.000 -3.027) 3.027 19.353 ( 0.000 0.000 3.775) 3.775 19.367 ( 0.000 0.000 -14.160) 14.160 19.665 ( 0.000 0.000 2.407) 2.407 19.689 ( 0.000 0.000 4.197) 4.197 20.153 ( 0.000 0.000 47.703) 47.703 20.500 ( 0.000 0.000 -3.018) 3.018 20.543 ( 0.000 0.000 -13.335) 13.335 20.751 ( 0.000 0.000 31.419) 31.419 21.437 ( 0.000 0.000 0.313) 0.313 21.484 ( 0.000 0.000 3.781) 3.781 21.508 ( 0.000 0.000 2.184) 2.184 21.630 ( 0.000 0.000 2.892) 2.892 21.850 ( 0.000 0.000 -2.464) 2.464 22.040 ( 0.000 0.000 -4.497) 4.497 23.472 ( 0.000 0.000 26.814) 26.814 23.936 ( 0.000 0.000 37.164) 37.164 24.622 ( 0.000 0.000 5.560) 5.560 24.803 ( 0.000 0.000 8.977) 8.977 27.035 ( 0.000 0.000 -11.685) 11.685 27.035 ( 0.000 0.000 -11.177) 11.177 27.410 ( 0.000 0.000 -8.403) 8.403 27.416 ( 0.000 0.000 -8.333) 8.333 ======================= Grid point 26 (11/36) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 15.949 0.000 20.556) 26.017 0.858 ( 22.143 0.000 19.265) 29.351 1.468 ( 30.183 0.000 34.541) 45.870 1.711 ( -0.501 0.000 9.880) 9.893 1.895 ( 6.755 0.000 5.338) 8.610 1.939 ( -16.769 0.000 5.147) 17.541 2.009 ( -9.237 0.000 1.073) 9.299 2.212 ( -10.890 0.000 15.483) 18.929 2.255 ( -3.472 0.000 21.167) 21.450 2.426 ( -0.777 0.000 0.739) 1.072 2.479 ( 1.891 0.000 -2.575) 3.195 2.614 ( 2.160 0.000 -5.901) 6.284 2.623 ( 7.719 0.000 -1.935) 7.958 2.626 ( 1.947 0.000 -4.874) 5.249 2.646 ( 6.489 0.000 19.238) 20.302 2.699 ( 7.460 0.000 -2.178) 7.772 2.704 ( 6.137 0.000 2.683) 6.698 2.789 ( 1.068 0.000 0.744) 1.301 2.814 ( 11.136 0.000 -0.803) 11.165 2.885 ( 2.368 0.000 -0.559) 2.433 2.915 ( 1.372 0.000 6.383) 6.529 3.069 ( 0.471 0.000 13.720) 13.728 3.070 ( -4.664 0.000 -2.249) 5.178 3.153 ( -0.498 0.000 -8.557) 8.572 3.197 ( 1.360 0.000 0.731) 1.544 3.250 ( -3.626 0.000 -9.132) 9.826 3.264 ( -4.851 0.000 0.139) 4.853 3.304 ( -2.564 0.000 -0.837) 2.697 3.374 ( -3.294 0.000 1.917) 3.811 3.419 ( -4.837 0.000 7.199) 8.673 3.449 ( -0.757 0.000 -2.423) 2.539 3.492 ( -4.855 0.000 2.380) 5.406 3.568 ( -12.778 0.000 3.496) 13.248 3.568 ( -0.368 0.000 12.398) 12.404 3.654 ( 0.547 0.000 17.106) 17.115 3.725 ( -17.655 0.000 5.183) 18.400 3.867 ( -10.122 0.000 9.455) 13.851 3.874 ( -7.259 0.000 5.575) 9.152 3.939 ( -3.648 0.000 0.320) 3.661 4.026 ( -4.598 0.000 -2.757) 5.361 4.071 ( -8.921 0.000 -5.789) 10.634 4.123 ( -0.744 0.000 2.942) 3.035 4.193 ( -0.945 0.000 0.796) 1.236 4.256 ( -1.728 0.000 3.904) 4.269 4.261 ( -9.875 0.000 4.017) 10.660 4.325 ( -0.461 0.000 -2.873) 2.910 4.332 ( 0.578 0.000 2.204) 2.279 4.424 ( -13.163 0.000 1.417) 13.239 4.513 ( 1.511 0.000 -0.400) 1.563 4.566 ( 0.758 0.000 -4.315) 4.381 4.605 ( -2.004 0.000 2.607) 3.288 4.667 ( 0.313 0.000 1.995) 2.019 4.707 ( -0.962 0.000 2.772) 2.934 4.750 ( 1.664 0.000 3.225) 3.629 4.813 ( 2.041 0.000 -1.052) 2.296 4.859 ( 1.342 0.000 1.328) 1.888 4.886 ( 0.285 0.000 2.523) 2.539 4.921 ( 2.349 0.000 0.754) 2.467 5.081 ( 0.702 0.000 -2.646) 2.738 5.136 ( 5.026 0.000 3.650) 6.212 5.192 ( -5.061 0.000 0.307) 5.070 5.216 ( 3.754 0.000 -1.514) 4.048 5.351 ( 2.403 0.000 -2.547) 3.502 5.357 ( -1.323 0.000 -2.456) 2.790 5.412 ( 7.297 0.000 -4.598) 8.625 5.497 ( 7.165 0.000 5.044) 8.763 5.516 ( 2.379 0.000 1.029) 2.592 5.534 ( 2.400 0.000 2.114) 3.198 5.586 ( 7.600 0.000 7.941) 10.992 5.619 ( -0.876 0.000 -4.053) 4.147 5.738 ( 1.677 0.000 0.493) 1.748 5.780 ( 0.006 0.000 -0.086) 0.086 5.803 ( -1.924 0.000 -1.517) 2.450 5.830 ( 4.042 0.000 1.927) 4.477 5.899 ( 4.439 0.000 -2.756) 5.225 5.948 ( -0.816 0.000 -0.837) 1.169 5.957 ( 5.000 0.000 1.888) 5.344 5.988 ( 2.218 0.000 3.280) 3.960 6.038 ( -0.809 0.000 1.340) 1.565 6.126 ( 0.381 0.000 0.124) 0.400 6.456 ( 9.738 0.000 -7.463) 12.269 6.558 ( -0.507 0.000 -7.041) 7.059 6.562 ( 2.206 0.000 -5.522) 5.946 6.645 ( 3.766 0.000 -3.241) 4.969 6.798 ( 8.631 0.000 -15.855) 18.052 6.893 ( 2.627 0.000 -0.598) 2.695 7.056 ( 1.461 0.000 -4.474) 4.706 7.129 ( 1.690 0.000 -4.193) 4.520 7.200 ( -3.608 0.000 -1.516) 3.914 7.224 ( 6.051 0.000 -8.334) 10.299 7.273 ( 6.011 0.000 -5.411) 8.087 7.429 ( -4.846 0.000 -1.371) 5.037 7.473 ( 0.016 0.000 -5.509) 5.509 7.600 ( 4.460 0.000 -7.797) 8.983 7.618 ( 4.824 0.000 1.845) 5.165 7.706 ( 0.938 0.000 5.883) 5.958 7.968 ( -2.700 0.000 -7.286) 7.770 7.976 ( -0.142 0.000 -4.674) 4.676 8.199 ( 1.825 0.000 -5.229) 5.538 8.255 ( 3.020 0.000 -7.673) 8.246 8.444 ( 3.218 0.000 -12.364) 12.776 8.678 ( 0.576 0.000 -13.612) 13.624 8.693 ( 0.526 0.000 -15.249) 15.258 8.884 ( -1.951 0.000 18.402) 18.505 8.913 ( -1.273 0.000 -1.215) 1.760 8.925 ( -6.365 0.000 -7.239) 9.640 9.059 ( 3.033 0.000 -2.714) 4.070 9.169 ( 3.624 0.000 1.744) 4.022 9.209 ( 1.174 0.000 -0.827) 1.436 9.344 ( 1.804 0.000 -0.085) 1.806 9.360 ( -2.830 0.000 -0.991) 2.999 9.428 ( 1.420 0.000 0.740) 1.602 9.484 ( 2.678 0.000 -4.747) 5.450 9.503 ( 3.645 0.000 -15.437) 15.861 9.647 ( -5.362 0.000 -1.247) 5.505 9.688 ( -6.284 0.000 -3.006) 6.966 9.875 ( -5.580 0.000 1.880) 5.889 9.879 ( 6.944 0.000 -3.679) 7.858 9.943 ( -17.274 0.000 19.961) 26.398 9.992 ( -0.648 0.000 -4.805) 4.849 10.018 ( -11.868 0.000 25.083) 27.749 10.067 ( 0.594 0.000 0.361) 0.695 10.103 ( 1.153 0.000 2.865) 3.088 10.200 ( -8.369 0.000 15.032) 17.205 10.321 ( 7.525 0.000 1.718) 7.719 10.422 ( 4.860 0.000 11.425) 12.416 10.539 ( 1.965 0.000 14.464) 14.597 10.830 ( 0.524 0.000 -9.909) 9.923 10.981 ( 3.531 0.000 -1.266) 3.751 11.046 ( 5.523 0.000 4.228) 6.956 11.073 ( 3.146 0.000 5.492) 6.329 11.108 ( -1.575 0.000 1.260) 2.017 11.280 ( -2.316 0.000 1.182) 2.601 11.284 ( -1.042 0.000 6.425) 6.509 11.566 ( -3.977 0.000 16.437) 16.911 11.573 ( 1.409 0.000 5.430) 5.610 11.717 ( -0.598 0.000 -0.980) 1.148 11.747 ( -3.979 0.000 3.145) 5.072 11.897 ( 7.734 0.000 -7.488) 10.765 12.448 ( -0.626 0.000 -3.257) 3.317 12.524 ( -2.117 0.000 -3.373) 3.983 12.702 ( 0.016 0.000 -3.790) 3.790 12.744 ( -2.030 0.000 -4.551) 4.983 13.060 ( -16.459 0.000 -15.267) 22.449 13.269 ( -2.479 0.000 -14.583) 14.792 13.379 ( -4.969 0.000 -9.009) 10.288 13.491 ( 6.657 0.000 -14.141) 15.629 13.666 ( 2.452 0.000 -14.065) 14.277 14.539 ( 20.935 0.000 7.908) 22.379 14.574 ( 18.874 0.000 7.139) 20.179 15.331 ( 32.510 0.000 -4.231) 32.784 16.797 ( 76.714 0.000 -88.975) 117.480 17.769 ( -40.921 0.000 3.252) 41.050 17.887 ( -42.565 0.000 5.613) 42.934 18.726 ( -15.611 0.000 -24.084) 28.701 18.898 ( 12.198 0.000 1.506) 12.291 19.075 ( 8.714 0.000 4.589) 9.849 19.208 ( 10.602 0.000 -1.877) 10.767 19.264 ( -6.868 0.000 -15.318) 16.788 19.404 ( 1.594 0.000 0.409) 1.645 19.757 ( 7.485 0.000 2.886) 8.022 19.775 ( 7.139 0.000 4.191) 8.278 19.886 ( -14.067 0.000 32.810) 35.699 20.346 ( -13.918 0.000 -1.969) 14.057 20.702 ( 5.396 0.000 8.699) 10.237 20.731 ( -1.679 0.000 32.804) 32.847 21.437 ( -0.020 0.000 0.553) 0.553 21.462 ( -1.220 0.000 2.700) 2.963 21.538 ( 1.979 0.000 2.939) 3.543 21.615 ( -0.803 0.000 4.080) 4.158 21.846 ( -9.876 0.000 13.106) 16.411 21.847 ( -0.497 0.000 -1.812) 1.879 23.532 ( 5.134 0.000 26.837) 27.324 23.842 ( -5.680 0.000 35.267) 35.722 24.686 ( 5.152 0.000 5.278) 7.375 24.815 ( 1.062 0.000 8.509) 8.575 27.078 ( 3.958 0.000 -11.442) 12.107 27.078 ( 3.894 0.000 -10.950) 11.622 27.384 ( -2.271 0.000 -8.316) 8.620 27.393 ( -2.237 0.000 -8.551) 8.839 ======================= Grid point 27 (12/36) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 19.331 0.000 12.013) 22.760 1.291 ( 19.398 0.000 14.794) 24.395 1.513 ( -19.837 0.000 7.742) 21.294 1.623 ( -10.364 0.000 10.287) 14.603 1.885 ( -1.853 0.000 1.861) 2.626 1.929 ( -4.089 0.000 3.106) 5.135 2.048 ( 7.318 0.000 10.001) 12.392 2.063 ( -1.770 0.000 18.462) 18.547 2.351 ( 25.040 0.000 27.438) 37.146 2.554 ( 14.002 0.000 -1.052) 14.041 2.584 ( 8.186 0.000 -1.892) 8.402 2.634 ( 0.106 0.000 -4.872) 4.873 2.664 ( 3.194 0.000 -5.627) 6.470 2.718 ( 0.857 0.000 -1.271) 1.533 2.777 ( 5.921 0.000 21.151) 21.964 2.827 ( 4.175 0.000 0.383) 4.192 2.837 ( 1.571 0.000 9.313) 9.445 2.880 ( 7.456 0.000 0.987) 7.521 2.906 ( 3.380 0.000 1.239) 3.600 2.908 ( -13.052 0.000 3.954) 13.638 2.960 ( -4.053 0.000 2.832) 4.944 3.018 ( 1.620 0.000 -2.953) 3.368 3.066 ( -3.810 0.000 1.590) 4.129 3.105 ( -15.076 0.000 -3.501) 15.477 3.110 ( -7.014 0.000 -5.952) 9.199 3.150 ( -5.230 0.000 -2.668) 5.871 3.158 ( -6.935 0.000 1.232) 7.044 3.199 ( -9.098 0.000 6.565) 11.220 3.206 ( 2.291 0.000 -5.863) 6.294 3.290 ( -1.301 0.000 -1.902) 2.305 3.307 ( -6.124 0.000 -1.831) 6.392 3.335 ( 0.196 0.000 4.354) 4.358 3.408 ( -3.922 0.000 -1.886) 4.352 3.476 ( -11.532 0.000 -0.072) 11.532 3.510 ( 1.414 0.000 -3.774) 4.030 3.641 ( -12.547 0.000 5.730) 13.794 3.661 ( 0.363 0.000 19.693) 19.696 3.703 ( -6.436 0.000 17.345) 18.501 3.884 ( 5.866 0.000 13.720) 14.921 3.988 ( 0.077 0.000 -1.771) 1.773 4.016 ( -2.315 0.000 -2.071) 3.105 4.023 ( -6.685 0.000 1.750) 6.910 4.124 ( 0.674 0.000 2.782) 2.862 4.187 ( -3.418 0.000 -0.779) 3.505 4.227 ( 2.088 0.000 5.366) 5.758 4.283 ( -3.233 0.000 5.027) 5.977 4.355 ( 2.157 0.000 -2.629) 3.401 4.382 ( 0.241 0.000 -1.527) 1.546 4.568 ( 1.067 0.000 -1.340) 1.713 4.575 ( 0.177 0.000 -2.450) 2.456 4.635 ( 6.071 0.000 6.245) 8.710 4.672 ( 0.339 0.000 2.436) 2.459 4.686 ( -0.904 0.000 3.022) 3.154 4.769 ( -5.103 0.000 5.178) 7.270 4.791 ( 2.034 0.000 0.246) 2.049 4.836 ( -2.777 0.000 -0.396) 2.805 4.902 ( 1.304 0.000 3.506) 3.741 4.929 ( -0.942 0.000 3.269) 3.402 5.089 ( 0.691 0.000 -0.395) 0.796 5.113 ( -2.141 0.000 0.146) 2.146 5.224 ( 1.980 0.000 -3.315) 3.861 5.235 ( -0.061 0.000 -1.689) 1.690 5.334 ( -0.581 0.000 -0.724) 0.928 5.340 ( -1.161 0.000 1.545) 1.932 5.549 ( 3.392 0.000 -4.349) 5.515 5.561 ( 0.660 0.000 -0.843) 1.071 5.565 ( 2.886 0.000 -1.742) 3.371 5.588 ( 1.161 0.000 -4.150) 4.309 5.680 ( 2.596 0.000 1.251) 2.881 5.725 ( 4.729 0.000 -0.346) 4.742 5.745 ( 1.849 0.000 1.122) 2.163 5.767 ( 0.050 0.000 -0.115) 0.125 5.775 ( -0.637 0.000 -0.456) 0.784 5.885 ( -4.626 0.000 -0.248) 4.632 5.957 ( 5.176 0.000 4.007) 6.546 5.971 ( 2.520 0.000 1.084) 2.743 6.009 ( 0.462 0.000 1.668) 1.730 6.012 ( -1.662 0.000 2.369) 2.894 6.059 ( 3.159 0.000 1.528) 3.509 6.109 ( -1.802 0.000 -0.422) 1.851 6.525 ( 0.234 0.000 -6.066) 6.070 6.547 ( -1.690 0.000 -6.839) 7.045 6.690 ( 8.638 0.000 -8.341) 12.008 6.803 ( 1.893 0.000 -6.461) 6.733 6.830 ( 5.099 0.000 -3.324) 6.086 7.004 ( 6.810 0.000 -1.386) 6.950 7.023 ( -6.201 0.000 -1.095) 6.297 7.128 ( 0.988 0.000 -1.957) 2.192 7.144 ( -0.109 0.000 -3.473) 3.475 7.204 ( -8.793 0.000 -4.954) 10.092 7.411 ( 2.869 0.000 -5.268) 5.999 7.436 ( 3.677 0.000 -9.233) 9.938 7.483 ( 4.243 0.000 -9.262) 10.188 7.608 ( -4.071 0.000 -13.845) 14.431 7.692 ( 2.262 0.000 3.357) 4.048 7.717 ( -0.402 0.000 4.022) 4.042 7.953 ( 0.954 0.000 -5.632) 5.712 7.971 ( -0.505 0.000 -4.798) 4.825 8.243 ( 2.208 0.000 -5.440) 5.871 8.276 ( -0.739 0.000 -5.652) 5.700 8.569 ( 8.292 0.000 -8.172) 11.642 8.691 ( 0.631 0.000 -13.794) 13.808 8.697 ( -0.359 0.000 -14.932) 14.937 8.750 ( -8.794 0.000 -2.655) 9.186 8.872 ( -0.052 0.000 6.147) 6.147 8.886 ( -1.225 0.000 3.200) 3.427 9.135 ( 3.442 0.000 0.939) 3.568 9.199 ( -2.643 0.000 0.518) 2.693 9.247 ( 3.543 0.000 3.911) 5.277 9.299 ( -2.226 0.000 4.519) 5.038 9.389 ( 3.415 0.000 -1.697) 3.814 9.488 ( 3.874 0.000 5.032) 6.350 9.493 ( -6.580 0.000 -0.385) 6.591 9.533 ( 2.635 0.000 2.946) 3.952 9.564 ( -3.888 0.000 6.746) 7.787 9.609 ( 1.591 0.000 -1.714) 2.339 9.643 ( -4.635 0.000 6.912) 8.322 9.745 ( -6.792 0.000 -6.969) 9.731 9.974 ( 1.891 0.000 1.974) 2.734 9.995 ( 0.285 0.000 -1.210) 1.244 10.045 ( 5.460 0.000 1.235) 5.598 10.063 ( 0.323 0.000 6.272) 6.280 10.109 ( -3.328 0.000 7.160) 7.896 10.117 ( -0.958 0.000 1.149) 1.496 10.457 ( 5.514 0.000 11.596) 12.841 10.543 ( -2.385 0.000 13.648) 13.854 10.574 ( 9.480 0.000 -2.214) 9.735 10.758 ( -7.509 0.000 -7.316) 10.484 11.060 ( 3.243 0.000 -1.355) 3.515 11.093 ( -0.217 0.000 0.167) 0.274 11.147 ( 3.751 0.000 3.397) 5.061 11.171 ( 5.410 0.000 4.797) 7.231 11.225 ( -3.001 0.000 2.423) 3.857 11.255 ( -2.252 0.000 6.315) 6.705 11.559 ( 1.476 0.000 11.657) 11.750 11.586 ( -0.529 0.000 7.587) 7.605 11.704 ( -0.496 0.000 -0.649) 0.817 11.707 ( -0.932 0.000 -0.409) 1.018 12.170 ( 18.884 0.000 -9.393) 21.092 12.445 ( 0.176 0.000 -5.198) 5.201 12.475 ( -2.117 0.000 -4.552) 5.020 12.608 ( -20.421 0.000 -11.555) 23.464 12.707 ( 0.541 0.000 -4.322) 4.355 12.735 ( -4.116 0.000 -5.059) 6.522 13.252 ( 0.636 0.000 -12.838) 12.854 13.292 ( -3.292 0.000 -11.323) 11.792 13.609 ( 4.765 0.000 -13.035) 13.879 13.675 ( -1.592 0.000 -12.912) 13.010 15.039 ( 20.913 0.000 8.211) 22.467 15.041 ( 21.654 0.000 9.344) 23.584 16.220 ( 51.503 0.000 -10.717) 52.606 17.004 ( -27.016 0.000 3.350) 27.222 17.060 ( -31.714 0.000 4.045) 31.971 17.169 ( -31.652 0.000 -28.865) 42.837 18.684 ( 15.133 0.000 -50.911) 53.113 18.993 ( -8.058 0.000 -24.145) 25.454 19.120 ( -1.312 0.000 -8.171) 8.276 19.146 ( -0.279 0.000 3.243) 3.255 19.396 ( 5.578 0.000 -0.592) 5.610 19.428 ( 0.624 0.000 3.936) 3.985 19.773 ( 4.416 0.000 19.146) 19.649 19.888 ( 3.723 0.000 2.930) 4.737 19.901 ( 3.611 0.000 4.408) 5.698 20.020 ( -15.921 0.000 4.529) 16.553 20.702 ( -0.684 0.000 33.635) 33.642 20.714 ( -1.581 0.000 28.392) 28.436 21.437 ( 0.103 0.000 1.087) 1.092 21.443 ( -0.579 0.000 1.815) 1.905 21.578 ( 1.928 0.000 2.913) 3.493 21.609 ( -0.745 0.000 2.456) 2.567 21.773 ( 1.280 0.000 7.959) 8.061 21.821 ( -2.227 0.000 0.847) 2.383 23.643 ( 5.337 0.000 27.547) 28.059 23.742 ( -4.615 0.000 29.886) 30.241 24.787 ( 3.959 0.000 6.191) 7.349 24.829 ( -0.293 0.000 7.410) 7.415 27.167 ( 3.915 0.000 -10.614) 11.313 27.169 ( 3.911 0.000 -10.956) 11.633 27.328 ( -2.659 0.000 -8.676) 9.075 27.334 ( -3.038 0.000 -8.915) 9.418 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 15.419 20.606) 25.737 0.747 ( 0.000 19.383 17.069) 25.827 1.422 ( 0.000 19.071 33.986) 38.971 1.567 ( 0.000 -14.885 10.910) 18.455 1.603 ( 0.000 -11.343 11.373) 16.063 2.116 ( 0.000 2.179 3.368) 4.012 2.129 ( 0.000 -6.224 0.234) 6.229 2.270 ( 0.000 -7.636 5.469) 9.393 2.369 ( 0.000 5.148 18.394) 19.101 2.407 ( 0.000 1.365 6.119) 6.270 2.455 ( 0.000 1.935 -6.616) 6.893 2.533 ( 0.000 -2.795 -5.078) 5.796 2.549 ( 0.000 5.092 11.183) 12.288 2.621 ( 0.000 -3.906 2.944) 4.892 2.637 ( 0.000 2.112 -3.100) 3.751 2.644 ( 0.000 1.511 -4.329) 4.586 2.658 ( 0.000 -0.098 0.446) 0.457 2.742 ( 0.000 3.892 5.031) 6.361 2.808 ( 0.000 8.858 7.776) 11.787 2.825 ( 0.000 -6.029 9.242) 11.035 2.886 ( 0.000 2.450 -1.715) 2.991 2.982 ( 0.000 -8.489 13.258) 15.743 3.136 ( 0.000 -8.154 -1.859) 8.363 3.138 ( 0.000 2.172 -9.638) 9.880 3.213 ( 0.000 2.923 1.957) 3.518 3.306 ( 0.000 -4.188 -13.136) 13.787 3.308 ( 0.000 6.609 -0.319) 6.617 3.380 ( 0.000 -6.722 18.382) 19.573 3.407 ( 0.000 8.152 1.033) 8.217 3.456 ( 0.000 2.159 10.852) 11.065 3.482 ( 0.000 -2.355 14.797) 14.983 3.528 ( 0.000 0.306 -5.180) 5.189 3.548 ( 0.000 -1.886 7.440) 7.675 3.584 ( 0.000 4.421 7.337) 8.566 3.616 ( 0.000 -1.418 12.280) 12.362 3.843 ( 0.000 -5.975 2.660) 6.540 3.858 ( 0.000 -4.493 3.096) 5.456 3.954 ( 0.000 1.178 2.007) 2.327 3.982 ( 0.000 -8.017 5.564) 9.758 4.037 ( 0.000 -4.988 -1.327) 5.161 4.082 ( 0.000 -1.774 1.552) 2.357 4.110 ( 0.000 -2.726 -2.018) 3.391 4.297 ( 0.000 1.319 0.766) 1.526 4.309 ( 0.000 3.502 -5.620) 6.622 4.347 ( 0.000 2.683 -1.355) 3.006 4.404 ( 0.000 4.022 -1.854) 4.429 4.546 ( 0.000 -0.843 -8.659) 8.700 4.551 ( 0.000 2.853 -0.402) 2.881 4.590 ( 0.000 -1.583 -1.901) 2.474 4.597 ( 0.000 3.843 2.513) 4.592 4.651 ( 0.000 0.701 -2.006) 2.125 4.680 ( 0.000 -0.569 3.581) 3.626 4.701 ( 0.000 -0.480 2.773) 2.814 4.776 ( 0.000 8.826 3.811) 9.614 4.777 ( 0.000 -4.778 0.977) 4.877 4.849 ( 0.000 0.273 1.028) 1.063 4.860 ( 0.000 -1.191 -0.509) 1.295 4.935 ( 0.000 5.106 -1.666) 5.371 4.992 ( 0.000 2.961 -1.776) 3.452 5.108 ( 0.000 -0.385 0.775) 0.865 5.117 ( 0.000 -0.139 7.667) 7.668 5.212 ( 0.000 -6.160 -0.773) 6.208 5.256 ( 0.000 5.111 6.206) 8.040 5.356 ( 0.000 -0.520 0.202) 0.558 5.367 ( 0.000 -0.015 -4.266) 4.266 5.401 ( 0.000 -1.912 3.340) 3.848 5.467 ( 0.000 -2.770 0.205) 2.778 5.494 ( 0.000 -1.069 -2.558) 2.772 5.530 ( 0.000 2.477 8.957) 9.293 5.611 ( 0.000 -3.103 2.854) 4.216 5.745 ( 0.000 4.269 2.149) 4.779 5.767 ( 0.000 0.865 1.087) 1.389 5.794 ( 0.000 -2.584 2.140) 3.355 5.840 ( 0.000 2.423 -0.727) 2.530 5.848 ( 0.000 0.592 -0.978) 1.143 5.897 ( 0.000 0.478 -2.964) 3.002 5.936 ( 0.000 -0.538 -0.437) 0.693 5.983 ( 0.000 1.465 4.259) 4.504 6.033 ( 0.000 -1.243 1.354) 1.838 6.107 ( 0.000 -1.875 -1.946) 2.702 6.393 ( 0.000 4.459 -6.406) 7.805 6.526 ( 0.000 -0.023 -4.473) 4.473 6.559 ( 0.000 0.483 -7.348) 7.363 6.592 ( 0.000 -2.159 -6.898) 7.228 6.642 ( 0.000 8.109 -1.200) 8.197 6.952 ( 0.000 5.193 -2.815) 5.907 7.058 ( 0.000 -0.365 -6.298) 6.308 7.089 ( 0.000 -1.724 -4.454) 4.776 7.091 ( 0.000 -0.739 -3.991) 4.059 7.122 ( 0.000 -8.079 -2.372) 8.420 7.292 ( 0.000 1.311 1.106) 1.715 7.425 ( 0.000 -3.273 -3.305) 4.652 7.501 ( 0.000 0.485 -2.898) 2.939 7.533 ( 0.000 -0.087 -2.967) 2.968 7.570 ( 0.000 2.083 1.099) 2.355 7.671 ( 0.000 -1.878 3.674) 4.126 7.999 ( 0.000 1.248 -6.619) 6.735 8.014 ( 0.000 0.241 -6.692) 6.697 8.188 ( 0.000 0.828 -5.047) 5.114 8.226 ( 0.000 0.770 -8.096) 8.133 8.447 ( 0.000 3.562 -14.421) 14.854 8.669 ( 0.000 -0.659 -13.774) 13.789 8.701 ( 0.000 1.235 -14.978) 15.028 8.888 ( 0.000 -4.655 9.858) 10.902 8.928 ( 0.000 -4.577 -8.160) 9.356 8.962 ( 0.000 0.304 -0.266) 0.404 8.973 ( 0.000 0.774 4.402) 4.470 9.152 ( 0.000 2.631 4.551) 5.256 9.207 ( 0.000 1.009 0.676) 1.214 9.255 ( 0.000 -5.789 1.828) 6.071 9.367 ( 0.000 -1.558 -0.770) 1.738 9.449 ( 0.000 2.010 -7.246) 7.519 9.452 ( 0.000 2.250 -0.519) 2.309 9.521 ( 0.000 3.290 -13.421) 13.818 9.613 ( 0.000 -22.509 28.831) 36.577 9.714 ( 0.000 -4.822 -4.315) 6.471 9.773 ( 0.000 -2.519 13.031) 13.272 9.849 ( 0.000 2.491 -3.393) 4.209 9.965 ( 0.000 1.297 -2.853) 3.134 10.006 ( 0.000 -0.819 -5.993) 6.049 10.061 ( 0.000 5.629 2.464) 6.144 10.113 ( 0.000 2.584 1.060) 2.793 10.189 ( 0.000 -0.619 4.086) 4.132 10.308 ( 0.000 5.894 7.824) 9.795 10.400 ( 0.000 3.298 10.415) 10.925 10.472 ( 0.000 -3.281 16.275) 16.603 10.502 ( 0.000 -18.538 20.446) 27.599 10.670 ( 0.000 2.302 7.763) 8.097 10.831 ( 0.000 -0.622 -7.219) 7.246 10.861 ( 0.000 -7.301 -2.040) 7.580 10.959 ( 0.000 -3.344 0.887) 3.460 10.996 ( 0.000 -6.759 4.329) 8.027 11.185 ( 0.000 3.363 4.139) 5.333 11.285 ( 0.000 -1.334 6.774) 6.904 11.446 ( 0.000 3.810 5.407) 6.614 11.551 ( 0.000 -0.509 4.996) 5.021 11.725 ( 0.000 0.110 -1.223) 1.228 11.737 ( 0.000 -0.403 -1.021) 1.097 12.441 ( 0.000 0.247 -3.879) 3.887 12.505 ( 0.000 -3.038 -2.691) 4.058 12.703 ( 0.000 0.211 -3.781) 3.787 12.739 ( 0.000 -0.668 -5.601) 5.640 13.207 ( 0.000 23.481 -39.027) 45.546 13.271 ( 0.000 2.327 -17.381) 17.536 13.348 ( 0.000 -0.543 -12.065) 12.077 13.356 ( 0.000 2.502 -16.128) 16.321 13.500 ( 0.000 3.531 -9.830) 10.445 13.608 ( 0.000 -0.890 -16.623) 16.647 14.327 ( 0.000 0.713 6.872) 6.909 14.362 ( 0.000 -0.603 6.485) 6.513 15.003 ( 0.000 1.872 -3.840) 4.272 15.045 ( 0.000 2.198 -6.998) 7.335 18.462 ( 0.000 -0.159 2.396) 2.401 18.479 ( 0.000 -1.423 2.148) 2.576 18.597 ( 0.000 4.019 3.546) 5.360 18.765 ( 0.000 -2.805 7.587) 8.090 18.961 ( 0.000 0.316 -12.186) 12.190 19.014 ( 0.000 -2.586 -3.839) 4.629 19.354 ( 0.000 0.064 2.024) 2.025 19.362 ( 0.000 -0.348 -10.544) 10.549 19.669 ( 0.000 0.335 2.939) 2.958 19.686 ( 0.000 -0.293 4.133) 4.143 20.138 ( 0.000 0.021 42.684) 42.684 20.455 ( 0.000 -10.729 2.367) 10.987 20.564 ( 0.000 3.261 -1.655) 3.657 20.856 ( 0.000 -30.740 50.953) 59.507 20.859 ( 0.000 11.926 30.407) 32.662 21.447 ( 0.000 0.879 1.581) 1.809 21.474 ( 0.000 -1.114 3.263) 3.448 21.531 ( 0.000 2.082 1.802) 2.753 21.649 ( 0.000 -2.486 3.002) 3.898 21.779 ( 0.000 -22.579 3.268) 22.814 23.943 ( 0.000 21.459 4.287) 21.883 24.158 ( 0.000 15.354 23.430) 28.013 24.530 ( 0.000 -8.232 5.912) 10.135 24.727 ( 0.000 -7.376 10.208) 12.594 27.035 ( 0.000 0.021 -11.608) 11.608 27.035 ( 0.000 0.006 -11.249) 11.249 27.407 ( 0.000 -0.041 -8.202) 8.202 27.414 ( 0.000 -0.191 -8.347) 8.350 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 12.150 12.934 14.431) 22.873 1.007 ( 19.596 12.874 14.680) 27.663 1.605 ( 4.624 -16.709 6.883) 18.653 1.636 ( 5.177 -5.221 11.244) 13.435 1.677 ( 17.088 11.002 23.063) 30.741 1.916 ( -14.530 0.239 4.451) 15.199 2.063 ( -5.339 1.518 2.973) 6.296 2.168 ( -8.231 -5.445 13.900) 17.047 2.269 ( -4.976 1.260 21.432) 22.038 2.399 ( 1.048 -3.090 2.997) 4.430 2.482 ( 4.052 1.639 -8.895) 9.911 2.599 ( 5.233 -2.633 -5.005) 7.705 2.632 ( 2.934 1.391 -0.678) 3.318 2.647 ( 1.505 0.560 -5.358) 5.593 2.674 ( 2.988 -0.071 9.054) 9.535 2.707 ( 4.595 3.112 3.038) 6.327 2.750 ( 2.838 5.066 6.178) 8.478 2.777 ( 4.744 -2.295 9.536) 10.896 2.804 ( 4.013 0.446 3.232) 5.172 2.888 ( 5.690 -1.285 3.379) 6.741 2.904 ( 2.204 2.019 -0.202) 2.996 3.031 ( 3.090 -4.074 7.614) 9.172 3.117 ( -2.353 2.253 -8.040) 8.675 3.133 ( -0.125 -5.747 -1.355) 5.906 3.190 ( -2.025 1.538 -0.013) 2.543 3.252 ( -3.537 -0.272 -10.510) 11.092 3.322 ( -0.648 4.167 -3.482) 5.469 3.337 ( -5.673 -1.849 8.935) 10.745 3.398 ( -2.905 5.282 2.193) 6.415 3.415 ( -2.201 2.677 13.823) 14.251 3.468 ( -1.373 -0.143 12.250) 12.327 3.503 ( -3.254 -1.463 -5.198) 6.304 3.532 ( -1.420 -3.887 9.199) 10.087 3.574 ( -0.960 2.574 6.012) 6.610 3.588 ( -4.814 -1.396 9.229) 10.502 3.659 ( -13.766 -2.607 5.692) 15.123 3.773 ( -9.785 -6.164 7.466) 13.765 3.899 ( -9.057 1.298 6.573) 11.265 3.976 ( -2.855 -2.818 5.126) 6.509 4.007 ( -1.716 1.057 -7.179) 7.457 4.032 ( -3.603 -3.921 -0.461) 5.345 4.097 ( -7.223 -0.379 -0.951) 7.295 4.136 ( -3.873 -2.767 1.018) 4.867 4.199 ( -9.236 -0.335 2.509) 9.576 4.283 ( -10.685 -0.873 1.791) 10.870 4.339 ( -2.679 -0.206 -2.673) 3.790 4.376 ( -12.580 -1.974 0.692) 12.753 4.416 ( -5.458 1.953 -1.173) 5.914 4.510 ( 2.415 -0.730 -1.892) 3.154 4.572 ( -0.081 -0.097 -2.922) 2.925 4.653 ( 0.522 1.433 2.031) 2.540 4.683 ( 0.375 0.729 1.529) 1.735 4.700 ( -0.709 -0.568 2.885) 3.025 4.742 ( 2.436 -3.394 -0.088) 4.179 4.802 ( 0.929 7.257 2.861) 7.855 4.892 ( 0.296 3.075 0.923) 3.224 4.937 ( 1.360 1.749 3.571) 4.202 4.945 ( 1.033 2.598 3.659) 4.605 5.047 ( -0.693 -2.830 -1.824) 3.438 5.154 ( 0.208 -1.911 0.562) 2.002 5.158 ( 1.965 0.107 0.513) 2.034 5.225 ( 4.893 0.940 -2.663) 5.650 5.358 ( 3.579 0.576 -1.684) 3.997 5.374 ( 0.477 0.917 -0.762) 1.284 5.389 ( 4.764 -1.166 -6.031) 7.774 5.485 ( 5.796 -1.697 -0.163) 6.041 5.518 ( 2.777 0.393 4.896) 5.642 5.561 ( 7.148 -0.138 0.037) 7.149 5.590 ( -0.647 -0.456 0.755) 1.094 5.611 ( 6.331 1.663 5.601) 8.615 5.741 ( 0.151 0.361 1.744) 1.787 5.767 ( 0.261 -1.024 0.520) 1.177 5.815 ( -1.637 0.947 -1.350) 2.323 5.866 ( 3.936 1.885 -0.124) 4.366 5.887 ( 4.282 -0.138 0.007) 4.285 5.926 ( 0.453 -0.154 -1.308) 1.393 5.965 ( 3.941 -0.835 0.283) 4.039 5.991 ( 0.426 0.927 4.732) 4.841 6.030 ( -0.175 -0.829 1.797) 1.987 6.097 ( -0.511 -2.842 -0.227) 2.896 6.495 ( 6.851 3.076 -6.738) 10.089 6.562 ( 1.676 1.603 -6.871) 7.252 6.623 ( 2.739 0.548 -8.223) 8.684 6.674 ( 4.923 6.256 -1.233) 8.056 6.755 ( 7.950 -2.901 -10.817) 13.734 6.950 ( 1.560 4.353 -1.667) 4.916 7.057 ( -0.941 -2.174 -3.724) 4.414 7.105 ( 1.928 -4.187 -4.193) 6.232 7.119 ( 0.781 -1.968 -2.106) 2.986 7.203 ( 8.100 -2.813 -8.412) 12.012 7.298 ( 1.340 1.999 -3.199) 4.003 7.423 ( -0.977 -3.363 -4.012) 5.326 7.463 ( -1.537 2.128 -2.134) 3.383 7.574 ( 2.919 -2.108 -5.746) 6.781 7.611 ( 3.246 -0.078 1.442) 3.553 7.678 ( 0.611 -1.904 3.427) 3.968 7.982 ( -2.284 1.152 -7.646) 8.063 7.996 ( -0.595 1.021 -5.788) 5.907 8.207 ( 1.793 0.801 -5.173) 5.533 8.253 ( 1.770 -0.485 -6.430) 6.687 8.470 ( 2.859 3.080 -13.152) 13.807 8.675 ( 0.548 -0.759 -13.830) 13.862 8.703 ( 0.073 0.687 -14.916) 14.932 8.826 ( -5.588 -7.507 -4.710) 10.477 8.899 ( -0.896 1.323 7.306) 7.479 8.942 ( -1.223 2.017 2.012) 3.100 9.027 ( 2.940 -2.151 4.160) 5.530 9.192 ( 3.557 2.481 5.643) 7.117 9.212 ( -1.047 -2.762 1.539) 3.331 9.268 ( 1.224 -4.644 4.204) 6.383 9.357 ( -0.539 -0.217 1.941) 2.026 9.444 ( -0.614 1.971 0.079) 2.066 9.457 ( -0.455 -1.038 1.571) 1.938 9.515 ( -2.502 -7.890 13.881) 16.162 9.586 ( 3.680 -0.221 -9.476) 10.168 9.657 ( -5.006 -2.431 -2.886) 6.269 9.756 ( -1.398 3.200 7.585) 8.350 9.902 ( 3.811 0.294 -3.415) 5.126 9.956 ( -0.722 -1.347 -0.810) 1.730 9.978 ( -1.373 -0.776 -3.767) 4.084 10.049 ( -2.470 3.940 -0.274) 4.658 10.098 ( -0.962 4.448 4.261) 6.235 10.155 ( -3.282 -1.418 5.581) 6.628 10.246 ( -8.135 3.125 8.930) 12.477 10.370 ( 4.851 3.163 11.974) 13.301 10.474 ( 5.715 5.658 3.849) 8.916 10.509 ( 2.833 -2.722 15.540) 16.029 10.806 ( 1.284 -3.718 -5.629) 6.868 10.914 ( 5.777 -3.767 -2.647) 7.388 10.954 ( 6.774 -5.448 -0.801) 8.729 11.019 ( 5.139 -3.426 5.686) 8.395 11.106 ( 9.524 -8.451 5.299) 13.792 11.180 ( 0.485 3.025 3.907) 4.965 11.278 ( -0.655 -1.005 6.096) 6.213 11.449 ( 0.599 2.597 6.555) 7.076 11.565 ( 0.953 -1.078 5.436) 5.623 11.717 ( -0.729 -0.031 -1.089) 1.311 11.725 ( -1.054 -0.382 -0.825) 1.392 12.436 ( -1.685 2.552 -6.055) 6.783 12.458 ( -8.932 5.115 -3.116) 10.754 12.548 ( -16.093 15.777 -8.416) 24.057 12.695 ( -1.118 -0.176 -4.686) 4.820 12.747 ( -3.917 2.019 -4.012) 5.960 13.072 ( -19.242 -0.271 -15.348) 24.615 13.275 ( -2.207 0.678 -13.756) 13.949 13.345 ( -2.661 -2.272 -10.997) 11.540 13.542 ( 3.885 3.529 -13.264) 14.265 13.653 ( 2.478 -1.294 -13.882) 14.161 14.545 ( 20.625 0.514 7.803) 22.058 14.570 ( 19.154 -0.415 7.260) 20.488 15.438 ( 38.355 10.403 -7.685) 40.477 16.395 ( 74.952 -30.699 -57.066) 99.080 17.785 ( -41.071 1.402 3.581) 41.251 17.868 ( -42.208 -1.702 5.246) 42.567 18.746 ( -16.317 2.872 -19.636) 25.692 18.917 ( 10.355 1.354 0.654) 10.463 19.040 ( 5.374 -4.411 -1.600) 7.134 19.072 ( 3.223 -5.804 -3.747) 7.623 19.346 ( 2.823 3.451 -4.489) 6.328 19.416 ( 3.054 0.410 -2.171) 3.770 19.759 ( 7.307 0.242 2.997) 7.902 19.772 ( 7.139 -0.264 3.981) 8.178 19.916 ( -14.528 3.209 30.757) 34.167 20.252 ( -15.615 -9.501 8.111) 19.997 20.616 ( 2.320 -2.000 20.697) 20.922 20.853 ( -0.450 0.912 37.946) 37.959 21.050 ( 13.846 -18.485 25.327) 34.276 21.448 ( 0.043 0.853 1.724) 1.924 21.465 ( -0.686 -0.232 2.554) 2.655 21.544 ( 1.069 0.715 2.174) 2.526 21.639 ( -0.977 -2.265 3.179) 4.023 21.724 ( -5.182 -20.315 4.575) 21.458 23.946 ( 0.585 22.339 8.969) 24.079 24.094 ( -4.390 18.292 24.379) 30.793 24.591 ( 5.175 -8.292 6.180) 11.564 24.736 ( 0.722 -7.692 9.665) 12.373 27.078 ( 3.947 0.012 -11.367) 12.033 27.078 ( 3.902 0.014 -11.020) 11.690 27.384 ( -2.141 0.052 -8.386) 8.655 27.391 ( -2.205 -0.162 -8.553) 8.834 ======================= Grid point 32 (15/36) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 15.053 5.936 9.151) 18.589 1.374 ( 12.369 5.366 10.250) 16.937 1.510 ( -11.358 1.761 9.185) 14.713 1.655 ( -6.247 1.686 8.948) 11.042 1.734 ( 4.003 -9.918 4.206) 11.493 1.869 ( -7.254 -5.491 4.529) 10.162 2.018 ( -2.595 -4.003 17.890) 18.515 2.044 ( -1.236 -1.798 12.031) 12.227 2.424 ( 23.496 6.277 19.429) 31.128 2.556 ( 13.146 -2.522 2.442) 13.607 2.603 ( 5.645 2.128 -2.946) 6.713 2.640 ( 0.252 0.210 -5.517) 5.526 2.679 ( 3.274 0.706 -4.243) 5.406 2.706 ( 0.803 -3.714 13.212) 13.748 2.719 ( 2.891 0.919 -1.990) 3.628 2.790 ( 3.617 0.420 13.983) 14.449 2.831 ( 5.338 0.760 1.625) 5.631 2.865 ( -4.145 -2.287 5.515) 7.268 2.877 ( 6.947 0.705 -2.548) 7.433 2.937 ( 1.558 -0.426 1.915) 2.505 3.015 ( -4.198 1.082 1.191) 4.496 3.038 ( -0.013 -0.385 -1.585) 1.631 3.081 ( -1.712 0.810 -2.913) 3.475 3.113 ( -9.275 2.463 -5.837) 11.232 3.144 ( -9.749 1.501 -3.798) 10.570 3.160 ( -1.922 2.448 2.362) 3.907 3.177 ( -3.506 -0.799 -8.284) 9.031 3.194 ( -5.217 2.681 1.832) 6.145 3.253 ( -6.658 2.892 4.193) 8.383 3.267 ( -7.903 0.345 -1.190) 7.999 3.327 ( -5.061 4.632 5.736) 8.942 3.429 ( -8.479 -2.701 0.673) 8.924 3.452 ( -1.163 1.136 -0.175) 1.636 3.477 ( -2.600 2.195 -1.818) 3.857 3.539 ( 2.862 3.195 9.531) 10.451 3.622 ( 0.662 0.833 13.982) 14.023 3.679 ( -5.541 -2.026 15.962) 17.018 3.706 ( 1.129 -5.644 13.674) 14.836 3.740 ( -7.377 2.590 9.258) 12.118 3.908 ( -12.066 -9.745 10.408) 18.679 4.000 ( 0.012 0.526 -2.680) 2.731 4.021 ( -0.716 -0.439 -5.408) 5.472 4.074 ( 0.465 -2.124 0.754) 2.301 4.106 ( -0.459 -8.299 4.344) 9.378 4.169 ( -1.454 -2.723 -0.348) 3.106 4.209 ( -4.110 -6.331 5.182) 9.156 4.339 ( 0.965 -1.363 -2.231) 2.787 4.369 ( -1.622 -1.723 -1.830) 2.992 4.569 ( 2.059 0.846 -2.333) 3.224 4.586 ( 0.306 1.028 -2.258) 2.500 4.673 ( 0.499 0.263 2.146) 2.219 4.684 ( -0.751 0.092 2.629) 2.736 4.711 ( 2.914 1.389 1.894) 3.743 4.755 ( -0.809 -2.019 0.678) 2.278 4.820 ( 1.506 4.868 2.024) 5.483 4.869 ( -2.677 4.104 2.195) 5.369 4.937 ( 0.192 1.982 5.223) 5.590 4.948 ( -0.642 1.206 5.010) 5.193 5.040 ( 0.910 -3.698 0.017) 3.808 5.082 ( -2.995 -3.224 0.213) 4.405 5.247 ( 2.009 2.036 -3.197) 4.290 5.265 ( 0.273 2.429 -3.469) 4.244 5.370 ( 0.622 3.131 -0.229) 3.200 5.385 ( -0.182 3.104 -2.197) 3.807 5.521 ( 4.341 -2.664 -6.425) 8.199 5.546 ( 0.641 -1.963 -3.356) 3.941 5.568 ( 3.166 0.514 -0.849) 3.318 5.605 ( -0.113 2.220 -0.277) 2.240 5.669 ( 3.668 -0.878 1.532) 4.071 5.723 ( 0.666 -1.964 1.305) 2.450 5.753 ( 1.894 0.767 0.296) 2.065 5.770 ( -0.192 -0.431 -0.273) 0.545 5.794 ( 1.741 3.114 -0.760) 3.648 5.875 ( -3.497 -0.563 -1.226) 3.749 5.960 ( 3.113 0.482 4.180) 5.234 5.981 ( 3.315 0.131 0.169) 3.322 5.996 ( -0.542 -0.927 3.230) 3.404 6.010 ( 0.568 0.154 1.249) 1.380 6.058 ( 2.130 -0.182 3.217) 3.862 6.084 ( -0.844 -1.982 1.204) 2.468 6.559 ( 1.918 3.080 -6.713) 7.631 6.599 ( -1.349 3.386 -8.286) 9.052 6.687 ( 5.175 0.145 -7.022) 8.724 6.769 ( -1.567 -2.430 -7.892) 8.405 6.838 ( 6.816 0.993 -0.412) 6.900 6.977 ( -5.875 -3.682 -0.120) 6.935 7.057 ( 7.697 2.740 -1.992) 8.409 7.132 ( -0.134 -1.232 -2.534) 2.821 7.139 ( 1.479 2.231 -2.677) 3.786 7.242 ( -6.809 3.281 -4.451) 8.771 7.357 ( 4.930 -3.852 -8.252) 10.356 7.410 ( -0.774 -3.438 -5.768) 6.759 7.505 ( 5.289 2.169 -7.775) 9.651 7.596 ( -2.022 -1.129 -10.890) 11.134 7.669 ( 1.966 -1.846 1.972) 3.341 7.688 ( -0.026 -2.020 2.781) 3.437 7.954 ( 0.187 0.383 -5.842) 5.857 7.976 ( -1.364 0.093 -5.352) 5.524 8.248 ( 1.812 0.382 -5.345) 5.657 8.270 ( -0.228 -0.503 -5.606) 5.633 8.568 ( 6.195 0.303 -8.468) 10.496 8.679 ( -2.018 -2.700 -10.553) 11.078 8.698 ( -0.415 0.236 -13.839) 13.847 8.716 ( -3.464 -1.320 -10.521) 11.155 8.894 ( 0.404 2.207 6.958) 7.311 8.913 ( -1.360 2.429 4.378) 5.188 9.080 ( 2.554 -4.650 5.898) 7.933 9.145 ( -3.998 -5.959 7.052) 10.061 9.267 ( 2.994 1.796 6.802) 7.646 9.293 ( 0.413 -0.213 5.779) 5.798 9.372 ( 1.717 -0.847 2.079) 2.826 9.407 ( -1.728 -3.343 5.485) 6.651 9.468 ( 1.893 1.423 0.959) 2.555 9.538 ( -2.190 0.267 -0.341) 2.232 9.550 ( 0.405 1.981 -1.118) 2.310 9.619 ( -2.533 -0.482 0.192) 2.586 9.770 ( 4.414 7.871 -6.344) 11.031 9.887 ( -6.135 5.446 -6.720) 10.604 9.968 ( 1.900 -1.042 -2.041) 2.977 9.970 ( 1.366 -1.617 0.250) 2.132 10.028 ( 0.175 -2.255 4.640) 5.162 10.068 ( -3.921 -3.080 5.321) 7.292 10.109 ( 2.935 5.181 2.543) 6.475 10.174 ( -2.564 3.920 2.817) 5.466 10.469 ( 4.521 1.062 14.172) 14.914 10.533 ( -1.160 -1.046 14.946) 15.028 10.621 ( 7.973 4.050 -0.778) 8.976 10.764 ( -5.288 -0.050 -3.836) 6.533 11.018 ( 3.982 -3.094 -3.117) 5.928 11.046 ( 1.690 -3.385 -2.364) 4.461 11.138 ( 6.012 0.089 3.677) 7.048 11.194 ( 2.494 1.466 5.987) 6.650 11.230 ( -0.660 -0.408 2.200) 2.333 11.253 ( -2.007 -0.422 5.817) 6.168 11.504 ( 4.508 -2.663 8.504) 9.987 11.567 ( -1.280 -1.944 7.135) 7.505 11.701 ( -0.552 -0.210 -0.927) 1.099 11.704 ( -0.816 -0.272 -0.600) 1.049 12.308 ( 4.598 10.159 -8.117) 13.793 12.438 ( -0.078 -0.413 -5.567) 5.583 12.453 ( -2.108 -1.268 -4.308) 4.960 12.592 ( -14.931 -1.503 -10.466) 18.296 12.709 ( -0.503 -0.071 -4.545) 4.573 12.735 ( -5.353 -0.415 -5.316) 7.555 13.259 ( 0.414 0.606 -12.754) 12.775 13.288 ( -2.386 -0.417 -11.888) 12.132 13.623 ( 3.487 1.162 -12.765) 13.283 13.669 ( -0.899 -0.594 -12.749) 12.794 15.039 ( 21.004 0.031 8.379) 22.614 15.041 ( 21.521 -0.026 9.182) 23.398 16.377 ( 49.531 14.554 -14.890) 53.729 17.012 ( -27.686 0.695 3.562) 27.923 17.051 ( -30.405 -0.918 3.402) 30.608 17.125 ( -10.746 -6.886 -32.056) 34.503 18.528 ( 5.975 -9.736 -39.230) 40.859 18.838 ( -15.399 -14.010 -31.217) 37.522 19.097 ( 3.701 -0.017 2.201) 4.306 19.135 ( 0.288 -0.943 3.435) 3.574 19.444 ( 4.056 3.038 0.524) 5.095 19.472 ( 1.687 3.025 -2.915) 4.527 19.745 ( 0.355 -1.543 23.248) 23.301 19.881 ( -0.649 -1.880 4.436) 4.861 19.895 ( 3.798 -0.284 4.230) 5.692 19.938 ( -9.970 -5.636 11.155) 15.987 20.685 ( 4.790 1.742 32.721) 33.116 20.793 ( -5.046 4.537 34.376) 35.040 21.329 ( 12.473 -20.877 13.457) 27.794 21.447 ( -0.454 -0.253 2.076) 2.140 21.455 ( 0.223 0.145 2.189) 2.205 21.545 ( -4.406 -10.373 3.900) 11.926 21.603 ( -2.969 -9.086 6.770) 11.714 21.614 ( -1.491 -2.055 3.825) 4.591 23.973 ( 1.962 21.820 16.243) 27.273 24.021 ( -2.874 20.135 20.835) 29.116 24.695 ( 4.196 -8.202 7.142) 11.657 24.742 ( -0.594 -8.060 8.418) 11.670 27.168 ( 3.912 0.027 -10.665) 11.360 27.169 ( 3.909 -0.009 -10.907) 11.586 27.329 ( -2.693 0.060 -8.739) 9.145 27.333 ( -2.974 -0.081 -8.903) 9.387 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 -20.242 12.814) 23.957 1.116 ( 0.000 20.242 12.814) 23.957 1.227 ( 0.000 -22.643 8.728) 24.267 1.227 ( 0.000 22.643 8.728) 24.267 1.893 ( 0.000 -16.301 10.795) 19.551 1.893 ( 0.000 16.301 10.795) 19.551 2.177 ( 0.000 -3.268 5.024) 5.993 2.177 ( 0.000 3.268 5.024) 5.993 2.465 ( 0.000 -4.088 -2.718) 4.910 2.465 ( 0.000 4.088 -2.718) 4.910 2.497 ( 0.000 -4.956 3.012) 5.800 2.497 ( 0.000 4.956 3.012) 5.800 2.595 ( 0.000 -11.168 16.359) 19.808 2.595 ( 0.000 11.168 16.359) 19.808 2.643 ( 0.000 -1.591 -2.058) 2.601 2.643 ( 0.000 1.591 -2.058) 2.601 2.699 ( 0.000 -3.807 7.642) 8.538 2.699 ( 0.000 3.807 7.642) 8.538 2.748 ( 0.000 -4.427 8.523) 9.604 2.748 ( 0.000 4.427 8.523) 9.604 2.975 ( 0.000 -6.672 -1.717) 6.890 2.975 ( 0.000 6.672 -1.717) 6.890 3.089 ( 0.000 -11.425 2.087) 11.614 3.089 ( 0.000 11.425 2.087) 11.614 3.234 ( 0.000 -5.567 -10.221) 11.638 3.234 ( 0.000 5.567 -10.221) 11.638 3.370 ( 0.000 -2.920 14.276) 14.572 3.370 ( 0.000 2.920 14.276) 14.572 3.447 ( 0.000 -3.822 0.013) 3.822 3.447 ( 0.000 3.822 0.013) 3.822 3.488 ( 0.000 -3.056 10.612) 11.043 3.488 ( 0.000 3.056 10.612) 11.043 3.666 ( 0.000 -4.545 3.740) 5.886 3.666 ( 0.000 4.545 3.740) 5.886 3.699 ( 0.000 -8.986 4.875) 10.223 3.699 ( 0.000 8.986 4.875) 10.223 3.780 ( 0.000 -8.135 5.998) 10.107 3.780 ( 0.000 8.135 5.998) 10.107 3.974 ( 0.000 -0.822 0.709) 1.085 3.974 ( 0.000 0.822 0.709) 1.085 4.066 ( 0.000 -1.102 -0.394) 1.171 4.066 ( 0.000 1.102 -0.394) 1.171 4.337 ( 0.000 -1.023 -3.902) 4.034 4.337 ( 0.000 1.023 -3.902) 4.034 4.415 ( 0.000 -2.861 -3.650) 4.638 4.415 ( 0.000 2.861 -3.650) 4.638 4.547 ( 0.000 -1.227 -5.165) 5.309 4.547 ( 0.000 1.227 -5.165) 5.309 4.618 ( 0.000 -4.000 -0.195) 4.004 4.618 ( 0.000 4.000 -0.195) 4.004 4.675 ( 0.000 -3.545 1.756) 3.957 4.675 ( 0.000 3.545 1.756) 3.957 4.688 ( 0.000 -0.973 2.980) 3.135 4.688 ( 0.000 0.973 2.980) 3.135 4.839 ( 0.000 -0.423 -0.266) 0.500 4.839 ( 0.000 0.423 -0.266) 0.500 4.994 ( 0.000 -3.599 0.792) 3.685 4.994 ( 0.000 3.599 0.792) 3.685 5.046 ( 0.000 -5.636 0.307) 5.644 5.046 ( 0.000 5.636 0.307) 5.644 5.114 ( 0.000 -0.745 3.381) 3.462 5.114 ( 0.000 0.745 3.381) 3.462 5.348 ( 0.000 -0.057 1.915) 1.916 5.348 ( 0.000 0.057 1.915) 1.916 5.379 ( 0.000 -4.925 1.473) 5.140 5.379 ( 0.000 4.925 1.473) 5.140 5.427 ( 0.000 -3.762 -3.310) 5.011 5.427 ( 0.000 3.762 -3.310) 5.011 5.567 ( 0.000 -1.277 6.323) 6.451 5.567 ( 0.000 1.277 6.323) 6.451 5.753 ( 0.000 -0.806 2.784) 2.899 5.753 ( 0.000 0.806 2.784) 2.899 5.846 ( 0.000 -1.239 1.122) 1.672 5.846 ( 0.000 1.239 1.122) 1.672 5.886 ( 0.000 -1.473 -1.864) 2.376 5.886 ( 0.000 1.473 -1.864) 2.376 5.977 ( 0.000 -4.300 -0.231) 4.306 5.977 ( 0.000 4.300 -0.231) 4.306 6.031 ( 0.000 -3.331 1.543) 3.671 6.031 ( 0.000 3.331 1.543) 3.671 6.488 ( 0.000 -3.502 -4.660) 5.829 6.488 ( 0.000 3.502 -4.660) 5.829 6.568 ( 0.000 -0.472 -8.240) 8.254 6.568 ( 0.000 0.472 -8.240) 8.254 6.877 ( 0.000 -12.684 0.057) 12.684 6.877 ( 0.000 12.684 0.057) 12.684 7.040 ( 0.000 -2.355 -3.717) 4.400 7.040 ( 0.000 2.355 -3.717) 4.400 7.069 ( 0.000 -0.198 -5.667) 5.670 7.069 ( 0.000 0.198 -5.667) 5.670 7.353 ( 0.000 -3.436 -1.530) 3.761 7.353 ( 0.000 3.436 -1.530) 3.761 7.518 ( 0.000 -1.025 -3.648) 3.790 7.518 ( 0.000 1.025 -3.648) 3.790 7.623 ( 0.000 -2.637 1.190) 2.893 7.623 ( 0.000 2.637 1.190) 2.893 8.015 ( 0.000 -0.291 -7.716) 7.721 8.015 ( 0.000 0.291 -7.716) 7.721 8.214 ( 0.000 -1.439 -5.351) 5.541 8.214 ( 0.000 1.439 -5.351) 5.541 8.585 ( 0.000 -7.912 -14.836) 16.814 8.585 ( 0.000 7.912 -14.836) 16.814 8.737 ( 0.000 -3.116 -14.528) 14.859 8.737 ( 0.000 3.116 -14.528) 14.859 8.955 ( 0.000 -1.502 1.056) 1.836 8.955 ( 0.000 1.502 1.056) 1.836 9.050 ( 0.000 -7.990 25.497) 26.720 9.050 ( 0.000 7.990 25.497) 26.720 9.208 ( 0.000 -1.300 3.712) 3.933 9.208 ( 0.000 1.300 3.712) 3.933 9.365 ( 0.000 -2.349 7.841) 8.186 9.365 ( 0.000 2.349 7.841) 8.186 9.488 ( 0.000 -0.512 -8.438) 8.454 9.488 ( 0.000 0.512 -8.438) 8.454 9.598 ( 0.000 -4.786 -4.914) 6.860 9.598 ( 0.000 4.786 -4.914) 6.860 9.813 ( 0.000 -3.553 4.105) 5.428 9.813 ( 0.000 3.553 4.105) 5.428 9.993 ( 0.000 -0.788 -4.380) 4.450 9.993 ( 0.000 0.788 -4.380) 4.450 10.157 ( 0.000 -2.259 3.023) 3.774 10.157 ( 0.000 2.259 3.023) 3.774 10.246 ( 0.000 -8.871 2.362) 9.180 10.246 ( 0.000 8.871 2.362) 9.180 10.397 ( 0.000 -3.485 18.546) 18.870 10.397 ( 0.000 3.485 18.546) 18.870 10.601 ( 0.000 -10.250 -1.770) 10.401 10.601 ( 0.000 10.250 -1.770) 10.401 10.801 ( 0.000 -3.073 -0.442) 3.105 10.801 ( 0.000 3.073 -0.442) 3.105 10.909 ( 0.000 -0.187 1.459) 1.471 10.909 ( 0.000 0.187 1.459) 1.471 11.246 ( 0.000 -2.371 6.340) 6.769 11.246 ( 0.000 2.371 6.340) 6.769 11.521 ( 0.000 -2.580 4.532) 5.215 11.521 ( 0.000 2.580 4.532) 5.215 11.729 ( 0.000 -0.328 -1.193) 1.238 11.729 ( 0.000 0.328 -1.193) 1.238 12.453 ( 0.000 -1.438 -2.679) 3.041 12.453 ( 0.000 1.438 -2.679) 3.041 12.716 ( 0.000 -1.033 -4.407) 4.526 12.716 ( 0.000 1.033 -4.407) 4.526 13.305 ( 0.000 -1.434 -14.263) 14.335 13.305 ( 0.000 1.434 -14.263) 14.335 13.412 ( 0.000 -0.173 -24.743) 24.744 13.412 ( 0.000 0.173 -24.743) 24.744 13.571 ( 0.000 -2.754 -14.293) 14.556 13.571 ( 0.000 2.754 -14.293) 14.556 14.345 ( 0.000 -0.914 6.698) 6.760 14.345 ( 0.000 0.914 6.698) 6.760 15.046 ( 0.000 -1.648 -6.021) 6.242 15.046 ( 0.000 1.648 -6.021) 6.242 18.462 ( 0.000 -0.288 2.231) 2.249 18.462 ( 0.000 0.288 2.231) 2.249 18.687 ( 0.000 -4.260 5.559) 7.003 18.687 ( 0.000 4.260 5.559) 7.003 18.974 ( 0.000 -1.071 -8.309) 8.378 18.974 ( 0.000 1.071 -8.309) 8.378 19.356 ( 0.000 -0.183 -3.280) 3.285 19.356 ( 0.000 0.183 -3.280) 3.285 19.678 ( 0.000 -0.423 3.765) 3.789 19.678 ( 0.000 0.423 3.765) 3.789 20.206 ( 0.000 -7.516 38.026) 38.762 20.206 ( 0.000 7.516 38.026) 38.762 20.617 ( 0.000 -3.083 7.917) 8.496 20.617 ( 0.000 3.083 7.917) 8.496 21.244 ( 0.000 -22.446 16.696) 27.974 21.244 ( 0.000 22.446 16.696) 27.974 21.472 ( 0.000 -1.822 4.201) 4.579 21.472 ( 0.000 1.822 4.201) 4.579 21.588 ( 0.000 -3.092 1.975) 3.669 21.588 ( 0.000 3.092 1.975) 3.669 24.299 ( 0.000 -13.314 5.488) 14.401 24.299 ( 0.000 13.314 5.488) 14.401 24.489 ( 0.000 -14.654 14.959) 20.941 24.489 ( 0.000 14.654 14.959) 20.941 27.035 ( 0.000 -0.010 -11.425) 11.425 27.035 ( 0.000 0.010 -11.425) 11.425 27.409 ( 0.000 -0.225 -8.328) 8.331 27.409 ( 0.000 0.225 -8.328) 8.331 ======================= Grid point 37 (17/36) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 5.622 -15.599 8.146) 18.474 1.205 ( 5.622 15.599 8.146) 18.474 1.365 ( 13.045 -15.351 11.122) 23.012 1.365 ( 13.045 15.351 11.122) 23.012 1.919 ( -4.049 -4.221 5.451) 7.995 1.919 ( -4.049 4.221 5.451) 7.995 2.069 ( -4.448 -1.271 5.273) 7.015 2.069 ( -4.448 1.271 5.273) 7.015 2.338 ( -2.174 -4.579 17.042) 17.779 2.338 ( -2.174 4.579 17.042) 17.779 2.535 ( 4.944 -2.911 -7.226) 9.227 2.535 ( 4.944 2.911 -7.226) 9.227 2.652 ( 0.960 -0.463 -2.457) 2.678 2.652 ( 0.960 0.463 -2.457) 2.678 2.692 ( 2.562 -2.442 15.914) 16.303 2.692 ( 2.562 2.442 15.914) 16.303 2.759 ( 3.950 -1.495 5.565) 6.987 2.759 ( 3.950 1.495 5.565) 6.987 2.857 ( 9.147 -3.643 4.689) 10.906 2.857 ( 9.147 3.643 4.689) 10.906 2.976 ( 0.208 -3.811 -0.192) 3.822 2.976 ( 0.208 3.811 -0.192) 3.822 3.072 ( -0.975 -6.167 1.266) 6.370 3.072 ( -0.975 6.167 1.266) 6.370 3.214 ( -1.852 -3.673 -10.983) 11.728 3.214 ( -1.852 3.673 -10.983) 11.728 3.363 ( -1.100 -2.977 11.185) 11.626 3.363 ( -1.100 2.977 11.185) 11.626 3.421 ( -3.555 -3.507 0.113) 4.994 3.421 ( -3.555 3.507 0.113) 4.994 3.482 ( -0.465 -3.544 11.125) 11.685 3.482 ( -0.465 3.544 11.125) 11.685 3.567 ( -10.005 -4.252 4.000) 11.583 3.567 ( -10.005 4.252 4.000) 11.583 3.626 ( -6.419 -6.368 5.308) 10.485 3.626 ( -6.419 6.368 5.308) 10.485 3.790 ( 1.909 -11.254 5.321) 12.594 3.790 ( 1.909 11.254 5.321) 12.594 3.947 ( -4.819 -3.325 3.774) 6.966 3.947 ( -4.819 3.325 3.774) 6.966 4.048 ( -2.731 -2.022 -2.954) 4.502 4.048 ( -2.731 2.022 -2.954) 4.502 4.191 ( -15.491 -5.437 -0.993) 16.447 4.191 ( -15.491 5.437 -0.993) 16.447 4.264 ( -10.954 -4.291 0.608) 11.780 4.264 ( -10.954 4.291 0.608) 11.780 4.413 ( -7.794 -2.238 -1.326) 8.216 4.413 ( -7.794 2.238 -1.326) 8.216 4.534 ( 3.299 -2.948 -1.668) 4.728 4.534 ( 3.299 2.948 -1.668) 4.728 4.671 ( 0.557 -0.968 0.326) 1.163 4.671 ( 0.557 0.968 0.326) 1.163 4.696 ( 0.655 -0.558 1.680) 1.888 4.696 ( 0.655 0.558 1.680) 1.888 4.941 ( 0.317 -2.203 2.164) 3.104 4.941 ( 0.317 2.203 2.164) 3.104 4.986 ( -1.295 -1.894 2.334) 3.273 4.986 ( -1.295 1.894 2.334) 3.273 5.022 ( -0.958 -8.287 1.311) 8.444 5.022 ( -0.958 8.287 1.311) 8.444 5.214 ( 7.162 -2.534 -3.060) 8.190 5.214 ( 7.162 2.534 -3.060) 8.190 5.370 ( 2.564 -0.606 -1.631) 3.099 5.370 ( 2.564 0.606 -1.631) 3.099 5.421 ( 3.498 -3.485 -2.931) 5.742 5.421 ( 3.498 3.485 -2.931) 5.742 5.531 ( 4.943 -0.976 1.889) 5.381 5.531 ( 4.943 0.976 1.889) 5.381 5.617 ( 5.148 -1.198 4.290) 6.807 5.617 ( 5.148 1.198 4.290) 6.807 5.749 ( 0.232 -0.554 1.651) 1.757 5.749 ( 0.232 0.554 1.651) 1.757 5.845 ( -0.091 -1.943 -0.873) 2.132 5.845 ( -0.091 1.943 -0.873) 2.132 5.926 ( 3.391 -2.174 0.837) 4.114 5.926 ( 3.391 2.174 0.837) 4.114 5.984 ( 0.684 -3.634 0.098) 3.699 5.984 ( 0.684 3.634 0.098) 3.699 6.028 ( 0.201 -2.386 2.717) 3.621 6.028 ( 0.201 2.386 2.717) 3.621 6.556 ( 3.115 -2.245 -6.451) 7.507 6.556 ( 3.115 2.245 -6.451) 7.507 6.672 ( 7.376 -3.901 -8.696) 12.052 6.672 ( 7.376 3.901 -8.696) 12.052 6.875 ( 0.067 -10.501 -0.314) 10.506 6.875 ( 0.067 10.501 -0.314) 10.506 7.049 ( 2.079 -4.286 -2.932) 5.594 7.049 ( 2.079 4.286 -2.932) 5.594 7.133 ( 5.231 -2.875 -5.968) 8.440 7.133 ( 5.231 2.875 -5.968) 8.440 7.351 ( -0.399 -2.977 -2.803) 4.108 7.351 ( -0.399 2.977 -2.803) 4.108 7.519 ( 0.619 -2.842 -3.737) 4.735 7.519 ( 0.619 2.842 -3.737) 4.735 7.635 ( 1.016 -1.973 0.980) 2.426 7.635 ( 1.016 1.973 0.980) 2.426 8.002 ( -1.348 -0.473 -7.179) 7.320 8.002 ( -1.348 0.473 -7.179) 7.320 8.231 ( 1.457 -1.321 -5.400) 5.747 8.231 ( 1.457 1.321 -5.400) 5.747 8.585 ( 0.290 -7.096 -12.480) 14.359 8.585 ( 0.290 7.096 -12.480) 14.359 8.721 ( -1.053 -1.470 -13.527) 13.647 8.721 ( -1.053 1.470 -13.527) 13.647 8.954 ( -0.114 -2.380 2.993) 3.826 8.954 ( -0.114 2.380 2.993) 3.826 9.044 ( -0.778 -6.287 18.495) 19.550 9.044 ( -0.778 6.287 18.495) 19.550 9.242 ( 3.024 -1.376 4.968) 5.977 9.242 ( 3.024 1.376 4.968) 5.977 9.367 ( 0.017 -1.755 6.104) 6.351 9.367 ( 0.017 1.755 6.104) 6.351 9.507 ( 1.302 -0.954 -4.894) 5.153 9.507 ( 1.302 0.954 -4.894) 5.153 9.594 ( -0.072 -1.745 -4.524) 4.850 9.594 ( -0.072 1.745 -4.524) 4.850 9.845 ( 2.595 -4.399 2.447) 5.664 9.845 ( 2.595 4.399 2.447) 5.664 9.962 ( -1.820 -0.788 -4.467) 4.887 9.962 ( -1.820 0.788 -4.467) 4.887 10.103 ( -4.681 -2.535 1.497) 5.530 10.103 ( -4.681 2.535 1.497) 5.530 10.234 ( -1.162 -4.480 1.842) 4.981 10.234 ( -1.162 4.480 1.842) 4.981 10.438 ( 3.487 -3.526 17.411) 18.104 10.438 ( 3.487 3.526 17.411) 18.104 10.649 ( 3.874 -9.463 -0.245) 10.228 10.649 ( 3.874 9.463 -0.245) 10.228 10.887 ( 6.496 -0.546 -3.550) 7.423 10.887 ( 6.496 0.546 -3.550) 7.423 10.996 ( 8.086 -2.075 3.828) 9.184 10.996 ( 8.086 2.075 3.828) 9.184 11.242 ( -0.334 -2.424 5.925) 6.410 11.242 ( -0.334 2.424 5.925) 6.410 11.521 ( -0.091 -3.125 5.191) 6.059 11.521 ( -0.091 3.125 5.191) 6.059 11.719 ( -0.953 -0.224 -1.107) 1.478 11.719 ( -0.953 0.224 -1.107) 1.478 12.442 ( -0.998 -0.845 -3.087) 3.352 12.442 ( -0.998 0.845 -3.087) 3.352 12.691 ( -2.805 -0.681 -5.728) 6.414 12.691 ( -2.805 0.681 -5.728) 6.414 12.978 ( -25.434 -10.117 -14.125) 30.802 12.978 ( -25.434 10.117 -14.125) 30.802 13.301 ( -1.892 -1.762 -12.526) 12.790 13.301 ( -1.892 1.762 -12.526) 12.790 13.611 ( 2.656 -2.715 -13.459) 13.985 13.611 ( 2.656 2.715 -13.459) 13.985 14.558 ( 19.871 -0.653 7.540) 21.264 14.558 ( 19.871 0.653 7.540) 21.264 15.791 ( 55.348 -23.275 -21.612) 63.814 15.791 ( 55.348 23.275 -21.612) 63.814 17.824 ( -41.539 -2.181 4.396) 41.828 17.824 ( -41.539 2.181 4.396) 41.828 18.856 ( -9.668 -6.673 -14.809) 18.903 18.856 ( -9.668 6.673 -14.809) 18.903 19.000 ( 9.331 -2.473 2.358) 9.938 19.000 ( 9.331 2.473 2.358) 9.938 19.402 ( 4.205 -1.751 -2.157) 5.040 19.402 ( 4.205 1.751 -2.157) 5.040 19.766 ( 7.144 -0.310 3.460) 7.944 19.766 ( 7.144 0.310 3.460) 7.944 20.037 ( -14.309 -8.412 25.044) 30.045 20.037 ( -14.309 8.412 25.044) 30.045 20.659 ( 5.012 -6.241 27.266) 28.417 20.659 ( 5.012 6.241 27.266) 28.417 21.247 ( -0.963 -18.845 12.988) 22.907 21.247 ( -0.963 18.845 12.988) 22.907 21.471 ( -0.147 -1.326 3.669) 3.904 21.471 ( -0.147 1.326 3.669) 3.904 21.587 ( -0.169 -2.444 2.301) 3.361 21.587 ( -0.169 2.444 2.301) 3.361 24.316 ( 0.957 -11.202 8.133) 13.877 24.316 ( 0.957 11.202 8.133) 13.877 24.500 ( 1.468 -12.316 13.022) 17.983 24.500 ( 1.468 12.316 13.022) 17.983 27.078 ( 3.923 -0.002 -11.191) 11.859 27.078 ( 3.923 0.002 -11.191) 11.859 27.387 ( -2.140 -0.200 -8.514) 8.781 27.387 ( -2.140 0.200 -8.514) 8.781 ======================= Grid point 39 (18/36) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 6.333 -8.789 4.174) 11.610 1.330 ( 6.333 8.789 4.174) 11.610 1.620 ( 7.861 -4.166 10.575) 13.820 1.620 ( 7.861 4.166 10.575) 13.820 1.701 ( -8.583 -8.451 6.564) 13.718 1.701 ( -8.583 8.451 6.564) 13.718 1.986 ( -6.127 -2.295 14.767) 16.152 1.986 ( -6.127 2.295 14.767) 16.152 2.517 ( 14.118 -1.863 7.104) 15.914 2.517 ( 14.118 1.863 7.104) 15.914 2.641 ( 2.028 -0.285 -3.426) 3.991 2.641 ( 2.028 0.285 -3.426) 3.991 2.694 ( 4.077 -1.617 -3.629) 5.693 2.694 ( 4.077 1.617 -3.629) 5.693 2.726 ( -0.664 -4.800 14.747) 15.522 2.726 ( -0.664 4.800 14.747) 15.522 2.855 ( 7.463 -1.778 0.290) 7.677 2.855 ( 7.463 1.778 0.290) 7.677 2.922 ( -0.622 -3.672 -0.794) 3.808 2.922 ( -0.622 3.672 -0.794) 3.808 3.050 ( 4.807 -2.176 -0.245) 5.282 3.050 ( 4.807 2.176 -0.245) 5.282 3.099 ( -1.384 -5.079 -1.268) 5.414 3.099 ( -1.384 5.079 -1.268) 5.415 3.154 ( -2.449 -1.664 -1.472) 3.306 3.154 ( -2.449 1.664 -1.472) 3.306 3.215 ( -8.862 -3.656 -6.039) 11.330 3.215 ( -8.862 3.656 -6.039) 11.330 3.300 ( -5.411 -1.257 4.295) 7.022 3.300 ( -5.411 1.257 4.295) 7.022 3.366 ( -9.503 -0.595 6.290) 11.412 3.366 ( -9.503 0.595 6.290) 11.412 3.471 ( -0.344 -3.373 4.177) 5.380 3.471 ( -0.344 3.373 4.177) 5.380 3.555 ( 1.404 -4.874 13.758) 14.663 3.555 ( 1.404 4.874 13.758) 14.663 3.701 ( -13.789 -6.063 15.471) 21.593 3.701 ( -13.789 6.063 15.471) 21.593 3.850 ( 3.505 -12.976 5.840) 14.655 3.850 ( 3.505 12.976 5.840) 14.655 3.942 ( -5.770 -9.534 3.784) 11.770 3.942 ( -5.770 9.534 3.784) 11.770 4.024 ( -1.290 -1.146 -5.951) 6.197 4.024 ( -1.290 1.146 -5.951) 6.197 4.134 ( -2.647 -0.328 1.807) 3.222 4.134 ( -2.647 0.328 1.807) 3.222 4.331 ( -1.462 -1.090 -1.912) 2.642 4.331 ( -1.462 1.090 -1.912) 2.642 4.597 ( 1.614 -0.712 -1.563) 2.357 4.597 ( 1.614 0.712 -1.563) 2.357 4.684 ( 0.761 -0.935 2.377) 2.665 4.684 ( 0.761 0.935 2.377) 2.665 4.706 ( 0.012 -1.401 -1.573) 2.106 4.706 ( 0.012 1.401 -1.573) 2.106 4.944 ( 0.913 -4.648 1.888) 5.100 4.944 ( 0.913 4.648 1.888) 5.100 4.959 ( -0.742 -1.164 5.543) 5.712 4.959 ( -0.742 1.164 5.543) 5.712 4.987 ( -2.226 -5.151 1.272) 5.753 4.987 ( -2.226 5.151 1.272) 5.753 5.287 ( 1.036 -0.917 -3.273) 3.553 5.287 ( 1.036 0.917 -3.273) 3.553 5.447 ( 2.945 -3.612 -3.496) 5.826 5.447 ( 2.945 3.612 -3.496) 5.826 5.467 ( 1.114 -4.184 -5.497) 6.998 5.467 ( 1.114 4.184 -5.497) 6.998 5.615 ( 3.450 -2.378 0.233) 4.197 5.615 ( 3.450 2.378 0.233) 4.197 5.673 ( -0.343 -2.320 2.221) 3.230 5.673 ( -0.343 2.320 2.221) 3.230 5.761 ( 0.489 -0.341 0.210) 0.632 5.761 ( 0.489 0.341 0.210) 0.632 5.854 ( 0.856 -1.959 -2.813) 3.534 5.854 ( 0.856 1.959 -2.813) 3.534 5.975 ( 0.850 -0.715 4.750) 4.878 5.975 ( 0.850 0.715 4.750) 4.878 5.996 ( 0.232 -1.864 -0.296) 1.902 5.996 ( 0.232 1.864 -0.296) 1.902 6.056 ( 1.980 -0.528 4.334) 4.794 6.056 ( 1.980 0.528 4.334) 4.794 6.620 ( 2.922 -1.691 -8.301) 8.961 6.620 ( 2.922 1.691 -8.301) 8.961 6.718 ( -1.260 -2.370 -7.013) 7.509 6.718 ( -1.260 2.370 -7.013) 7.509 6.887 ( 0.635 -3.876 0.183) 3.932 6.887 ( 0.635 3.876 0.183) 3.932 7.094 ( 1.402 -1.774 -0.940) 2.449 7.094 ( 1.402 1.774 -0.940) 2.449 7.245 ( 4.456 -6.041 -5.712) 9.432 7.245 ( 4.456 6.041 -5.712) 9.432 7.326 ( -2.022 -3.988 -4.573) 6.396 7.326 ( -2.022 3.988 -4.573) 6.396 7.557 ( 2.260 -2.419 -7.134) 7.865 7.557 ( 2.260 2.419 -7.134) 7.865 7.653 ( 0.526 -0.762 0.510) 1.057 7.653 ( 0.526 0.762 0.510) 1.057 7.968 ( -1.422 -0.750 -5.935) 6.149 7.968 ( -1.422 0.750 -5.935) 6.149 8.258 ( 0.845 -0.560 -5.422) 5.516 8.258 ( 0.845 0.560 -5.422) 5.516 8.601 ( 0.933 -3.052 -8.349) 8.938 8.601 ( 0.933 3.052 -8.349) 8.938 8.706 ( -0.446 -0.344 -14.650) 14.660 8.706 ( -0.446 0.344 -14.650) 14.660 8.954 ( 0.184 -1.889 3.453) 3.940 8.954 ( 0.184 1.889 3.453) 3.940 9.020 ( -1.167 -3.039 13.889) 14.266 9.020 ( -1.167 3.039 13.889) 14.266 9.290 ( 0.914 -0.372 6.694) 6.766 9.290 ( 0.914 0.372 6.694) 6.766 9.375 ( 0.823 -0.510 2.935) 3.091 9.375 ( 0.823 0.510 2.935) 3.091 9.525 ( 0.527 -2.228 -0.360) 2.317 9.525 ( 0.527 2.228 -0.360) 2.317 9.595 ( -0.148 -1.884 -1.869) 2.658 9.595 ( -0.148 1.884 -1.869) 2.658 9.896 ( 2.470 -4.123 -7.472) 8.885 9.896 ( 2.470 4.123 -7.472) 8.885 9.953 ( -0.025 -1.010 -0.637) 1.195 9.953 ( -0.025 1.010 -0.637) 1.195 10.009 ( -3.291 -1.377 1.662) 3.936 10.009 ( -3.291 1.377 1.662) 3.936 10.207 ( -1.106 -1.956 2.155) 3.113 10.207 ( -1.106 1.956 2.155) 3.113 10.499 ( 1.879 -1.776 16.374) 16.577 10.499 ( 1.879 1.776 16.374) 16.577 10.720 ( 2.296 -4.311 1.542) 5.122 10.720 ( 2.296 4.311 1.542) 5.122 10.989 ( 2.749 -1.152 -5.892) 6.603 10.989 ( 2.749 1.152 -5.892) 6.603 11.173 ( 7.043 -2.965 4.137) 8.690 11.173 ( 7.043 2.965 4.137) 8.690 11.235 ( -0.577 -1.182 4.913) 5.086 11.235 ( -0.577 1.182 4.913) 5.086 11.511 ( -0.848 -2.644 6.663) 7.218 11.511 ( -0.848 2.644 6.663) 7.218 11.699 ( -0.686 -0.084 -0.990) 1.208 11.699 ( -0.686 0.084 -0.990) 1.208 12.425 ( -0.003 -1.042 -4.380) 4.502 12.425 ( -0.003 1.042 -4.380) 4.502 12.519 ( -10.438 -6.126 -9.851) 15.606 12.519 ( -10.438 6.126 -9.851) 15.606 12.714 ( -2.226 -0.883 -4.603) 5.189 12.714 ( -2.226 0.883 -4.603) 5.189 13.275 ( -0.661 -0.787 -12.542) 12.584 13.275 ( -0.661 0.787 -12.542) 12.584 13.650 ( 1.018 -1.210 -12.558) 12.657 13.650 ( 1.018 1.210 -12.558) 12.657 15.040 ( 21.243 -0.045 8.783) 22.987 15.040 ( 21.243 0.045 8.783) 22.987 16.790 ( 34.569 -21.818 -27.149) 49.072 16.790 ( 34.569 21.818 -27.149) 49.072 17.032 ( -29.317 -1.104 4.136) 29.628 17.032 ( -29.317 1.104 4.136) 29.628 18.531 ( -17.081 -10.882 -28.246) 34.756 18.531 ( -17.081 10.882 -28.246) 34.756 19.112 ( 2.267 -1.075 3.259) 4.113 19.112 ( 2.267 1.075 3.259) 4.113 19.496 ( 4.057 -1.245 -2.900) 5.140 19.496 ( 4.057 1.245 -2.900) 5.140 19.770 ( -8.255 -4.649 22.202) 24.139 19.770 ( -8.255 4.649 22.202) 24.139 19.896 ( 3.446 -0.376 4.588) 5.750 19.896 ( 3.446 0.376 4.588) 5.750 20.787 ( 5.491 -6.334 38.075) 38.987 20.787 ( 5.491 6.334 38.075) 38.987 21.192 ( -3.275 -9.920 8.762) 13.635 21.192 ( -3.275 9.920 8.762) 13.635 21.468 ( -0.075 -0.392 2.820) 2.848 21.468 ( -0.075 0.392 2.820) 2.848 21.583 ( -0.131 -0.916 2.750) 2.901 21.583 ( -0.131 0.916 2.750) 2.901 24.322 ( -0.093 -3.434 11.793) 12.283 24.322 ( -0.093 3.434 11.793) 12.283 24.541 ( 1.689 -3.852 10.164) 11.000 24.541 ( 1.689 3.852 10.164) 11.000 27.168 ( 3.908 -0.026 -10.787) 11.473 27.168 ( 3.908 0.026 -10.787) 11.473 27.331 ( -2.822 -0.106 -8.845) 9.285 27.331 ( -2.822 0.106 -8.845) 9.285 ======================= Grid point 50 (19/36) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 0.000 24.879) 24.879 1.082 ( 0.000 0.000 28.573) 28.573 1.937 ( 0.000 0.000 32.380) 32.380 1.939 ( 0.000 0.000 7.644) 7.644 1.995 ( 0.000 0.000 16.798) 16.798 2.181 ( 0.000 0.000 0.146) 0.146 2.193 ( 0.000 0.000 -12.658) 12.658 2.278 ( 0.000 0.000 10.172) 10.172 2.390 ( 0.000 0.000 -9.896) 9.896 2.438 ( 0.000 0.000 -0.836) 0.836 2.500 ( 0.000 0.000 -6.955) 6.955 2.522 ( 0.000 0.000 -5.125) 5.125 2.543 ( 0.000 0.000 -3.167) 3.167 2.583 ( 0.000 0.000 -6.410) 6.410 2.585 ( 0.000 0.000 8.970) 8.970 2.729 ( 0.000 0.000 -5.356) 5.356 2.767 ( 0.000 0.000 14.231) 14.231 2.777 ( 0.000 0.000 -2.784) 2.784 2.897 ( 0.000 0.000 34.234) 34.234 2.930 ( 0.000 0.000 2.036) 2.036 3.006 ( 0.000 0.000 8.304) 8.304 3.025 ( 0.000 0.000 -15.997) 15.997 3.093 ( 0.000 0.000 -0.983) 0.983 3.123 ( 0.000 0.000 11.470) 11.470 3.158 ( 0.000 0.000 -11.932) 11.932 3.159 ( 0.000 0.000 -2.128) 2.128 3.275 ( 0.000 0.000 -3.230) 3.230 3.418 ( 0.000 0.000 6.308) 6.308 3.447 ( 0.000 0.000 4.860) 4.860 3.563 ( 0.000 0.000 15.264) 15.264 3.586 ( 0.000 0.000 -12.791) 12.791 3.596 ( 0.000 0.000 5.737) 5.737 3.820 ( 0.000 0.000 4.464) 4.464 3.827 ( 0.000 0.000 -0.564) 0.564 3.857 ( 0.000 0.000 5.494) 5.494 3.967 ( 0.000 0.000 9.953) 9.953 4.059 ( 0.000 0.000 2.774) 2.774 4.083 ( 0.000 0.000 8.216) 8.216 4.090 ( 0.000 0.000 -3.079) 3.079 4.147 ( 0.000 0.000 18.019) 18.019 4.156 ( 0.000 0.000 1.715) 1.715 4.252 ( 0.000 0.000 15.997) 15.997 4.266 ( 0.000 0.000 5.473) 5.473 4.391 ( 0.000 0.000 9.213) 9.213 4.412 ( 0.000 0.000 15.850) 15.850 4.435 ( 0.000 0.000 -3.698) 3.698 4.472 ( 0.000 0.000 3.124) 3.124 4.522 ( 0.000 0.000 4.827) 4.827 4.574 ( 0.000 0.000 5.570) 5.570 4.616 ( 0.000 0.000 -1.454) 1.454 4.664 ( 0.000 0.000 12.799) 12.799 4.761 ( 0.000 0.000 -7.101) 7.101 4.763 ( 0.000 0.000 2.116) 2.116 4.782 ( 0.000 0.000 5.126) 5.126 4.800 ( 0.000 0.000 -3.941) 3.941 4.813 ( 0.000 0.000 -1.784) 1.784 4.830 ( 0.000 0.000 -1.517) 1.517 4.874 ( 0.000 0.000 2.108) 2.108 5.002 ( 0.000 0.000 15.540) 15.540 5.100 ( 0.000 0.000 -1.618) 1.618 5.214 ( 0.000 0.000 2.202) 2.202 5.248 ( 0.000 0.000 -4.136) 4.136 5.248 ( 0.000 0.000 -1.072) 1.072 5.350 ( 0.000 0.000 -0.487) 0.487 5.351 ( 0.000 0.000 3.326) 3.326 5.404 ( 0.000 0.000 -10.068) 10.068 5.501 ( 0.000 0.000 0.710) 0.710 5.501 ( 0.000 0.000 7.498) 7.498 5.714 ( 0.000 0.000 4.898) 4.898 5.714 ( 0.000 0.000 1.112) 1.112 5.745 ( 0.000 0.000 1.923) 1.923 5.773 ( 0.000 0.000 -2.590) 2.590 5.790 ( 0.000 0.000 1.074) 1.074 5.808 ( 0.000 0.000 -1.041) 1.041 5.828 ( 0.000 0.000 -1.732) 1.732 5.905 ( 0.000 0.000 10.755) 10.755 6.032 ( 0.000 0.000 13.014) 13.014 6.068 ( 0.000 0.000 1.132) 1.132 6.092 ( 0.000 0.000 7.160) 7.160 6.127 ( 0.000 0.000 1.626) 1.626 6.245 ( 0.000 0.000 -2.659) 2.659 6.307 ( 0.000 0.000 -18.681) 18.681 6.415 ( 0.000 0.000 -14.506) 14.506 6.458 ( 0.000 0.000 -2.235) 2.235 6.523 ( 0.000 0.000 -0.322) 0.322 6.889 ( 0.000 0.000 0.254) 0.254 6.909 ( 0.000 0.000 -8.493) 8.493 7.042 ( 0.000 0.000 -1.853) 1.853 7.055 ( 0.000 0.000 -2.626) 2.626 7.101 ( 0.000 0.000 -2.428) 2.428 7.333 ( 0.000 0.000 -8.439) 8.439 7.349 ( 0.000 0.000 2.119) 2.119 7.392 ( 0.000 0.000 -9.948) 9.948 7.501 ( 0.000 0.000 -1.457) 1.457 7.573 ( 0.000 0.000 1.560) 1.560 7.849 ( 0.000 0.000 6.333) 6.333 7.861 ( 0.000 0.000 -7.108) 7.108 7.871 ( 0.000 0.000 -8.278) 8.278 7.901 ( 0.000 0.000 -14.124) 14.124 8.079 ( 0.000 0.000 -4.792) 4.792 8.208 ( 0.000 0.000 -10.052) 10.052 8.349 ( 0.000 0.000 -18.477) 18.477 8.358 ( 0.000 0.000 -17.799) 17.799 8.719 ( 0.000 0.000 -19.517) 19.517 8.729 ( 0.000 0.000 -17.385) 17.385 8.853 ( 0.000 0.000 -14.110) 14.110 8.966 ( 0.000 0.000 -15.122) 15.122 9.131 ( 0.000 0.000 -16.490) 16.490 9.190 ( 0.000 0.000 4.468) 4.468 9.200 ( 0.000 0.000 1.947) 1.947 9.305 ( 0.000 0.000 0.002) 0.002 9.407 ( 0.000 0.000 -3.299) 3.299 9.408 ( 0.000 0.000 2.740) 2.740 9.527 ( 0.000 0.000 17.852) 17.852 9.579 ( 0.000 0.000 -7.882) 7.882 9.653 ( 0.000 0.000 -7.694) 7.694 9.770 ( 0.000 0.000 1.640) 1.640 9.859 ( 0.000 0.000 -11.782) 11.782 9.993 ( 0.000 0.000 -2.968) 2.968 10.092 ( 0.000 0.000 6.108) 6.108 10.123 ( 0.000 0.000 -6.635) 6.635 10.194 ( 0.000 0.000 15.803) 15.803 10.246 ( 0.000 0.000 14.574) 14.574 10.298 ( 0.000 0.000 6.414) 6.414 10.619 ( 0.000 0.000 -10.241) 10.241 10.707 ( 0.000 0.000 15.869) 15.869 10.772 ( 0.000 0.000 14.622) 14.622 10.792 ( 0.000 0.000 0.787) 0.787 10.963 ( 0.000 0.000 7.655) 7.655 11.119 ( 0.000 0.000 -0.565) 0.565 11.151 ( 0.000 0.000 9.250) 9.250 11.194 ( 0.000 0.000 8.487) 8.487 11.328 ( 0.000 0.000 3.105) 3.105 11.438 ( 0.000 0.000 7.156) 7.156 11.645 ( 0.000 0.000 -3.506) 3.506 11.655 ( 0.000 0.000 -0.727) 0.727 11.708 ( 0.000 0.000 -2.464) 2.464 11.739 ( 0.000 0.000 8.566) 8.566 12.121 ( 0.000 0.000 3.444) 3.444 12.474 ( 0.000 0.000 -4.509) 4.509 12.490 ( 0.000 0.000 -4.937) 4.937 12.626 ( 0.000 0.000 -3.923) 3.923 12.777 ( 0.000 0.000 4.620) 4.620 12.842 ( 0.000 0.000 -23.144) 23.144 12.972 ( 0.000 0.000 -18.559) 18.559 13.069 ( 0.000 0.000 -17.918) 17.918 13.237 ( 0.000 0.000 -21.436) 21.436 13.320 ( 0.000 0.000 -8.772) 8.772 14.448 ( 0.000 0.000 6.450) 6.450 14.491 ( 0.000 0.000 6.017) 6.017 14.915 ( 0.000 0.000 -3.604) 3.604 14.944 ( 0.000 0.000 -3.331) 3.331 18.530 ( 0.000 0.000 4.396) 4.396 18.581 ( 0.000 0.000 3.637) 3.637 18.585 ( 0.000 0.000 3.517) 3.517 18.782 ( 0.000 0.000 -5.518) 5.518 18.974 ( 0.000 0.000 -5.051) 5.051 19.010 ( 0.000 0.000 12.129) 12.129 19.117 ( 0.000 0.000 -11.795) 11.795 19.406 ( 0.000 0.000 0.947) 0.947 19.742 ( 0.000 0.000 5.160) 5.160 19.792 ( 0.000 0.000 6.263) 6.263 20.283 ( 0.000 0.000 -12.686) 12.686 20.351 ( 0.000 0.000 -9.690) 9.690 21.008 ( 0.000 0.000 38.426) 38.426 21.349 ( 0.000 0.000 23.476) 23.476 21.461 ( 0.000 0.000 2.879) 2.879 21.573 ( 0.000 0.000 4.801) 4.801 21.597 ( 0.000 0.000 9.160) 9.160 21.693 ( 0.000 0.000 3.176) 3.176 21.765 ( 0.000 0.000 -6.055) 6.055 21.936 ( 0.000 0.000 -5.874) 5.874 24.185 ( 0.000 0.000 46.683) 46.683 24.796 ( 0.000 0.000 50.642) 50.642 24.843 ( 0.000 0.000 19.380) 19.380 25.126 ( 0.000 0.000 26.476) 26.476 26.691 ( 0.000 0.000 -25.166) 25.166 26.709 ( 0.000 0.000 -23.726) 23.726 27.147 ( 0.000 0.000 -20.110) 20.110 27.159 ( 0.000 0.000 -19.600) 19.600 ======================= Grid point 51 (20/36) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 8.536 0.000 25.339) 26.738 1.229 ( 16.193 0.000 20.048) 25.771 1.925 ( -1.596 0.000 11.890) 11.997 1.982 ( -4.871 0.000 15.537) 16.283 2.037 ( -6.794 0.000 3.850) 7.809 2.047 ( 4.288 0.000 9.280) 10.223 2.156 ( -1.390 0.000 16.676) 16.733 2.239 ( 3.473 0.000 -10.441) 11.003 2.390 ( -1.979 0.000 4.674) 5.076 2.470 ( -0.849 0.000 -8.495) 8.537 2.471 ( 2.384 0.000 -8.177) 8.517 2.532 ( 0.559 0.000 -7.496) 7.517 2.659 ( 11.639 0.000 0.485) 11.649 2.666 ( 6.489 0.000 1.067) 6.576 2.704 ( 7.420 0.000 4.939) 8.913 2.730 ( -1.028 0.000 -3.843) 3.978 2.747 ( -2.045 0.000 9.598) 9.813 2.818 ( 1.817 0.000 0.271) 1.837 2.870 ( 2.361 0.000 10.878) 11.131 2.947 ( -2.618 0.000 -0.042) 2.618 2.983 ( -2.951 0.000 -1.040) 3.129 2.987 ( -2.027 0.000 -12.395) 12.560 3.061 ( 8.040 0.000 16.249) 18.129 3.165 ( -0.050 0.000 7.527) 7.527 3.195 ( 1.591 0.000 -1.144) 1.959 3.232 ( 3.243 0.000 -2.326) 3.991 3.265 ( 0.227 0.000 -2.919) 2.928 3.365 ( -5.855 0.000 3.933) 7.054 3.373 ( -4.875 0.000 6.514) 8.136 3.493 ( -7.485 0.000 -0.292) 7.491 3.515 ( -4.570 0.000 9.177) 10.252 3.567 ( -20.927 0.000 -1.033) 20.952 3.586 ( -5.431 0.000 -0.479) 5.452 3.734 ( -1.980 0.000 -9.358) 9.565 3.800 ( -23.962 0.000 3.892) 24.276 3.872 ( -3.939 0.000 12.016) 12.645 3.953 ( -6.529 0.000 -6.613) 9.293 4.037 ( 3.898 0.000 9.933) 10.670 4.076 ( -18.286 0.000 1.367) 18.337 4.163 ( 0.871 0.000 24.468) 24.484 4.167 ( 5.328 0.000 12.490) 13.579 4.224 ( 5.602 0.000 -1.748) 5.868 4.226 ( -3.090 0.000 11.791) 12.189 4.314 ( -1.427 0.000 11.368) 11.457 4.366 ( -5.540 0.000 13.170) 14.287 4.378 ( -2.038 0.000 7.258) 7.539 4.404 ( -7.128 0.000 4.972) 8.691 4.497 ( -3.204 0.000 3.692) 4.888 4.528 ( 0.412 0.000 7.094) 7.106 4.599 ( -1.779 0.000 9.107) 9.279 4.686 ( 1.146 0.000 3.846) 4.013 4.702 ( 4.269 0.000 -0.413) 4.289 4.760 ( -0.524 0.000 1.695) 1.774 4.780 ( 2.020 0.000 0.001) 2.020 4.784 ( 1.097 0.000 -7.331) 7.413 4.887 ( 0.550 0.000 -1.777) 1.860 4.942 ( 0.621 0.000 9.117) 9.138 4.969 ( 6.192 0.000 8.555) 10.561 5.057 ( 2.816 0.000 3.523) 4.510 5.178 ( -4.285 0.000 0.056) 4.285 5.184 ( 3.915 0.000 -2.012) 4.402 5.197 ( -1.756 0.000 0.900) 1.974 5.231 ( 2.246 0.000 -7.166) 7.510 5.332 ( -0.319 0.000 -1.633) 1.664 5.384 ( 2.276 0.000 0.335) 2.300 5.442 ( 1.092 0.000 -8.573) 8.642 5.532 ( 2.185 0.000 0.323) 2.209 5.570 ( 3.326 0.000 2.726) 4.300 5.673 ( 1.555 0.000 5.740) 5.947 5.699 ( -0.451 0.000 2.156) 2.203 5.781 ( -1.631 0.000 -0.882) 1.855 5.784 ( -0.304 0.000 0.476) 0.565 5.784 ( -1.228 0.000 3.161) 3.391 5.839 ( 3.965 0.000 -3.336) 5.182 5.841 ( 4.012 0.000 -1.681) 4.350 6.007 ( -1.523 0.000 4.435) 4.689 6.024 ( 7.912 0.000 7.376) 10.817 6.093 ( 1.421 0.000 7.594) 7.726 6.102 ( 0.688 0.000 6.882) 6.917 6.149 ( 0.536 0.000 2.513) 2.570 6.283 ( 3.351 0.000 -13.079) 13.502 6.381 ( 7.701 0.000 -7.728) 10.910 6.384 ( -1.471 0.000 -13.088) 13.170 6.581 ( 9.081 0.000 -3.533) 9.744 6.626 ( 6.656 0.000 -3.286) 7.423 6.891 ( 1.488 0.000 -1.035) 1.812 6.959 ( 3.196 0.000 -5.034) 5.963 7.067 ( 2.199 0.000 -2.221) 3.125 7.095 ( 3.035 0.000 -5.561) 6.335 7.115 ( 1.098 0.000 -3.269) 3.448 7.269 ( -4.922 0.000 1.800) 5.241 7.339 ( -0.001 0.000 -7.839) 7.839 7.361 ( -2.698 0.000 -9.142) 9.532 7.460 ( -4.615 0.000 -6.044) 7.604 7.664 ( 6.342 0.000 2.986) 7.010 7.799 ( -0.184 0.000 -8.772) 8.774 7.854 ( -0.060 0.000 8.880) 8.881 7.863 ( 0.118 0.000 -6.843) 6.844 8.068 ( 9.449 0.000 -10.807) 14.356 8.087 ( 1.002 0.000 -5.841) 5.927 8.204 ( 0.337 0.000 -11.311) 11.316 8.354 ( 0.371 0.000 -18.631) 18.634 8.364 ( 0.308 0.000 -17.879) 17.881 8.645 ( -5.500 0.000 -16.760) 17.639 8.759 ( 2.575 0.000 -15.554) 15.766 8.895 ( 1.083 0.000 -15.560) 15.598 8.983 ( 2.345 0.000 -12.457) 12.676 9.121 ( -0.937 0.000 -13.641) 13.673 9.226 ( 2.444 0.000 -3.873) 4.580 9.241 ( 4.179 0.000 3.967) 5.762 9.311 ( 0.603 0.000 -1.010) 1.176 9.391 ( -1.087 0.000 2.208) 2.461 9.403 ( 0.267 0.000 -5.652) 5.658 9.559 ( 3.417 0.000 16.756) 17.100 9.575 ( -3.703 0.000 -4.927) 6.163 9.587 ( -2.151 0.000 -6.684) 7.022 9.755 ( -7.902 0.000 -8.531) 11.628 9.849 ( 5.757 0.000 1.509) 5.952 10.033 ( 3.347 0.000 0.030) 3.347 10.077 ( -0.872 0.000 6.504) 6.562 10.211 ( 6.878 0.000 -7.247) 9.992 10.217 ( 1.954 0.000 14.411) 14.543 10.275 ( -1.801 0.000 8.202) 8.397 10.296 ( 2.955 0.000 15.129) 15.415 10.626 ( -0.214 0.000 -8.040) 8.043 10.706 ( -3.606 0.000 17.732) 18.095 10.729 ( -6.121 0.000 16.574) 17.668 10.799 ( 1.931 0.000 11.111) 11.278 10.947 ( 1.422 0.000 0.733) 1.600 11.103 ( -1.447 0.000 -0.888) 1.698 11.149 ( 3.850 0.000 6.479) 7.537 11.206 ( 1.385 0.000 8.193) 8.309 11.335 ( -0.267 0.000 5.161) 5.168 11.424 ( -1.122 0.000 6.959) 7.049 11.654 ( 0.996 0.000 -1.437) 1.748 11.655 ( 0.861 0.000 -2.807) 2.936 11.712 ( 0.406 0.000 -0.425) 0.587 11.828 ( 7.739 0.000 7.731) 10.939 11.991 ( -9.669 0.000 13.933) 16.959 12.368 ( -6.095 0.000 -6.769) 9.108 12.434 ( -3.979 0.000 -6.117) 7.297 12.618 ( -0.476 0.000 -4.119) 4.147 12.653 ( -7.566 0.000 -2.845) 8.083 12.775 ( -9.897 0.000 -11.850) 15.440 12.937 ( 0.780 0.000 -18.602) 18.618 13.137 ( -6.137 0.000 -16.047) 17.181 13.150 ( 6.319 0.000 -20.888) 21.823 13.369 ( 1.531 0.000 -16.226) 16.298 14.706 ( 23.925 0.000 9.337) 25.682 14.722 ( 20.268 0.000 7.970) 21.779 15.232 ( 27.852 0.000 -5.878) 28.465 15.716 ( 58.666 0.000 -34.581) 68.099 17.855 ( -40.255 0.000 5.734) 40.662 18.028 ( -40.669 0.000 8.808) 41.612 18.400 ( -28.452 0.000 -12.859) 31.223 18.843 ( -11.395 0.000 -13.963) 18.023 19.006 ( 4.548 0.000 -2.269) 5.082 19.144 ( 10.103 0.000 -1.061) 10.159 19.209 ( 7.291 0.000 5.403) 9.075 19.456 ( 2.699 0.000 1.363) 3.024 19.832 ( 7.241 0.000 4.646) 8.603 19.872 ( 6.409 0.000 5.549) 8.477 20.168 ( -7.805 0.000 0.040) 7.805 20.259 ( -7.847 0.000 -5.356) 9.501 21.110 ( 7.283 0.000 29.345) 30.236 21.331 ( -1.644 0.000 23.765) 23.822 21.467 ( 0.653 0.000 3.474) 3.535 21.545 ( -1.807 0.000 6.903) 7.136 21.623 ( 1.638 0.000 6.299) 6.509 21.684 ( -0.753 0.000 3.149) 3.238 21.773 ( 0.614 0.000 -5.582) 5.616 21.890 ( -3.779 0.000 -3.230) 4.971 24.252 ( 6.020 0.000 47.273) 47.654 24.711 ( -7.197 0.000 52.144) 52.639 24.907 ( 5.577 0.000 19.550) 20.330 25.123 ( -0.359 0.000 25.371) 25.374 26.741 ( 4.578 0.000 -24.688) 25.109 26.757 ( 4.401 0.000 -23.346) 23.757 27.121 ( -2.511 0.000 -20.250) 20.405 27.129 ( -2.808 0.000 -20.068) 20.264 ======================= Grid point 52 (21/36) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 12.642 0.000 18.680) 22.555 1.568 ( 11.990 0.000 14.905) 19.129 1.723 ( -11.116 0.000 13.535) 17.515 1.853 ( -7.042 0.000 13.417) 15.152 1.955 ( -0.272 0.000 5.910) 5.916 2.028 ( -5.654 0.000 7.796) 9.630 2.281 ( 6.709 0.000 13.264) 14.864 2.356 ( 4.113 0.000 1.850) 4.510 2.435 ( 4.113 0.000 2.023) 4.583 2.489 ( 0.141 0.000 -8.953) 8.954 2.508 ( 4.414 0.000 -10.200) 11.114 2.585 ( 1.656 0.000 -10.734) 10.861 2.646 ( 7.213 0.000 4.284) 8.390 2.739 ( -0.739 0.000 -12.950) 12.971 2.767 ( -3.411 0.000 -8.446) 9.109 2.841 ( 1.345 0.000 -3.048) 3.331 2.852 ( 4.720 0.000 11.560) 12.487 2.907 ( 7.008 0.000 -0.958) 7.073 2.929 ( 7.484 0.000 -4.670) 8.821 2.950 ( -6.462 0.000 -0.059) 6.462 2.993 ( 4.165 0.000 -6.288) 7.543 3.019 ( 0.975 0.000 3.798) 3.921 3.053 ( 0.493 0.000 2.371) 2.422 3.135 ( -11.436 0.000 5.610) 12.738 3.155 ( -3.133 0.000 2.325) 3.901 3.201 ( -4.121 0.000 7.942) 8.948 3.208 ( -8.910 0.000 4.162) 9.834 3.255 ( -7.606 0.000 2.526) 8.015 3.298 ( 5.812 0.000 14.600) 15.714 3.339 ( -4.757 0.000 -0.237) 4.763 3.357 ( 4.636 0.000 8.989) 10.114 3.386 ( -9.216 0.000 1.408) 9.323 3.391 ( -6.036 0.000 0.522) 6.059 3.474 ( 1.157 0.000 4.211) 4.367 3.632 ( -17.202 0.000 17.707) 24.687 3.669 ( -12.878 0.000 -3.797) 13.426 3.801 ( 0.775 0.000 -9.169) 9.201 3.861 ( -3.461 0.000 -10.817) 11.357 4.097 ( 1.726 0.000 6.290) 6.523 4.136 ( -3.317 0.000 6.100) 6.944 4.189 ( 1.893 0.000 31.404) 31.461 4.220 ( -0.420 0.000 30.890) 30.893 4.285 ( -0.042 0.000 7.891) 7.891 4.292 ( -0.743 0.000 7.707) 7.743 4.319 ( 2.431 0.000 0.210) 2.440 4.354 ( -1.162 0.000 2.109) 2.408 4.384 ( 1.918 0.000 13.190) 13.329 4.430 ( -2.702 0.000 10.916) 11.246 4.565 ( 1.591 0.000 2.373) 2.857 4.583 ( -0.342 0.000 4.578) 4.590 4.731 ( 0.385 0.000 3.279) 3.302 4.735 ( 0.654 0.000 2.583) 2.665 4.768 ( 2.517 0.000 2.975) 3.897 4.805 ( -0.490 0.000 -0.354) 0.604 4.819 ( 2.726 0.000 -2.253) 3.537 4.876 ( -1.776 0.000 -4.180) 4.542 4.950 ( 1.163 0.000 6.805) 6.904 5.003 ( -2.811 0.000 11.354) 11.697 5.098 ( 1.434 0.000 3.574) 3.851 5.107 ( -0.726 0.000 0.994) 1.231 5.165 ( -1.085 0.000 -2.982) 3.173 5.175 ( -1.373 0.000 -1.984) 2.413 5.330 ( 2.627 0.000 -4.338) 5.071 5.341 ( 0.733 0.000 -3.326) 3.406 5.427 ( 1.888 0.000 -2.803) 3.379 5.447 ( -0.215 0.000 -5.924) 5.928 5.568 ( 1.251 0.000 0.092) 1.255 5.584 ( -0.317 0.000 0.984) 1.034 5.701 ( 0.793 0.000 1.119) 1.372 5.733 ( -2.020 0.000 0.776) 2.164 5.768 ( 0.202 0.000 1.193) 1.210 5.775 ( -0.525 0.000 0.449) 0.691 5.788 ( 5.555 0.000 1.142) 5.671 5.869 ( -1.607 0.000 -1.617) 2.280 5.920 ( 3.460 0.000 -4.314) 5.530 5.975 ( -2.008 0.000 -3.362) 3.917 6.110 ( 0.531 0.000 6.213) 6.236 6.115 ( 0.259 0.000 7.316) 7.320 6.146 ( 3.096 0.000 7.741) 8.337 6.160 ( 0.923 0.000 6.785) 6.848 6.330 ( 1.551 0.000 -14.551) 14.634 6.358 ( -1.270 0.000 -13.588) 13.648 6.562 ( 7.778 0.000 -3.837) 8.673 6.658 ( -1.587 0.000 -4.259) 4.545 6.811 ( 10.753 0.000 -1.593) 10.870 6.969 ( 6.002 0.000 -2.194) 6.391 6.976 ( -3.465 0.000 -2.960) 4.558 7.092 ( -2.389 0.000 -4.430) 5.034 7.107 ( -1.213 0.000 -1.372) 1.831 7.112 ( -1.052 0.000 -1.994) 2.255 7.240 ( 2.891 0.000 -7.232) 7.789 7.308 ( -2.444 0.000 -10.006) 10.300 7.339 ( -0.073 0.000 -6.813) 6.813 7.357 ( -3.521 0.000 -8.020) 8.759 7.774 ( 4.233 0.000 5.211) 6.713 7.832 ( 1.599 0.000 -3.380) 3.739 7.837 ( -1.431 0.000 4.519) 4.740 7.860 ( -0.590 0.000 -6.423) 6.450 8.120 ( 1.901 0.000 -6.731) 6.995 8.148 ( -0.573 0.000 -7.015) 7.038 8.324 ( 8.961 0.000 -14.420) 16.977 8.364 ( -0.247 0.000 -18.384) 18.386 8.364 ( 1.469 0.000 -18.582) 18.640 8.513 ( -7.644 0.000 -14.826) 16.680 8.819 ( 3.091 0.000 -12.680) 13.051 8.875 ( -2.296 0.000 -12.862) 13.065 9.042 ( 2.814 0.000 -10.039) 10.426 9.091 ( -2.002 0.000 -10.335) 10.527 9.295 ( 3.783 0.000 -8.990) 9.754 9.315 ( 1.952 0.000 1.900) 2.724 9.341 ( 3.201 0.000 -2.411) 4.007 9.379 ( 0.058 0.000 -0.516) 0.520 9.413 ( -0.704 0.000 -12.263) 12.283 9.447 ( -6.171 0.000 -4.360) 7.556 9.582 ( -0.252 0.000 -2.227) 2.241 9.609 ( -4.163 0.000 -1.503) 4.427 9.682 ( 8.063 0.000 13.470) 15.699 9.860 ( -6.772 0.000 7.485) 10.094 10.099 ( 3.750 0.000 6.155) 7.207 10.110 ( 3.262 0.000 4.035) 5.189 10.242 ( -0.299 0.000 11.413) 11.417 10.243 ( -1.196 0.000 10.322) 10.391 10.336 ( 1.691 0.000 16.912) 16.996 10.344 ( 3.783 0.000 -2.050) 4.303 10.524 ( -3.619 0.000 23.903) 24.176 10.578 ( -4.460 0.000 -1.343) 4.658 10.746 ( 2.351 0.000 10.472) 10.733 10.801 ( -2.155 0.000 7.927) 8.215 11.018 ( 3.768 0.000 -2.875) 4.739 11.072 ( -1.700 0.000 -1.911) 2.558 11.252 ( 2.769 0.000 8.733) 9.162 11.274 ( 5.309 0.000 7.393) 9.102 11.316 ( -0.304 0.000 6.636) 6.643 11.390 ( -2.867 0.000 7.446) 7.979 11.671 ( 0.601 0.000 -2.237) 2.317 11.679 ( 0.161 0.000 -2.049) 2.055 11.747 ( 3.815 0.000 3.552) 5.213 11.840 ( -5.332 0.000 12.360) 13.461 12.047 ( 14.193 0.000 2.854) 14.477 12.294 ( -1.897 0.000 -11.164) 11.324 12.339 ( -4.193 0.000 -10.182) 11.012 12.396 ( -16.857 0.000 -6.652) 18.122 12.615 ( 0.238 0.000 -4.293) 4.299 12.636 ( -2.443 0.000 -4.409) 5.041 12.972 ( 2.268 0.000 -15.058) 15.228 13.033 ( -3.959 0.000 -14.710) 15.233 13.276 ( 5.446 0.000 -21.467) 22.148 13.358 ( -2.480 0.000 -19.917) 20.071 15.225 ( 23.684 0.000 10.876) 26.062 15.260 ( 22.886 0.000 13.201) 26.421 15.984 ( 42.193 0.000 -13.154) 44.196 16.535 ( 5.444 0.000 -33.120) 33.565 17.097 ( -26.329 0.000 6.591) 27.142 17.204 ( -33.764 0.000 9.760) 35.146 17.937 ( -2.219 0.000 -28.793) 28.878 18.360 ( -29.558 0.000 -32.864) 44.201 19.151 ( 5.787 0.000 3.716) 6.878 19.228 ( -1.420 0.000 4.929) 5.129 19.361 ( 7.928 0.000 -2.624) 8.351 19.467 ( -2.161 0.000 -0.728) 2.280 19.956 ( 3.544 0.000 3.862) 5.241 19.966 ( 1.786 0.000 4.455) 4.800 20.073 ( -0.995 0.000 8.212) 8.272 20.109 ( -5.195 0.000 4.081) 6.607 21.230 ( 4.148 0.000 24.483) 24.832 21.290 ( -2.305 0.000 24.142) 24.252 21.485 ( 1.083 0.000 5.212) 5.323 21.511 ( -1.466 0.000 6.665) 6.824 21.653 ( 1.197 0.000 4.480) 4.638 21.670 ( -0.598 0.000 3.091) 3.149 21.787 ( 0.863 0.000 -4.001) 4.093 21.820 ( -2.649 0.000 -1.749) 3.174 24.396 ( 7.600 0.000 49.315) 49.897 24.552 ( -7.948 0.000 51.808) 52.414 25.026 ( 5.298 0.000 20.573) 21.244 25.101 ( -2.135 0.000 22.827) 22.927 26.846 ( 4.631 0.000 -23.576) 24.027 26.855 ( 3.989 0.000 -22.780) 23.126 27.057 ( -3.042 0.000 -20.727) 20.949 27.059 ( -3.331 0.000 -20.959) 21.223 ======================= Grid point 55 (22/36) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 9.423 22.381) 24.284 1.155 ( 0.000 8.028 24.474) 25.757 1.743 ( 0.000 -14.671 12.240) 19.106 1.826 ( 0.000 -15.623 11.030) 19.124 2.035 ( 0.000 5.696 24.549) 25.201 2.177 ( 0.000 -0.864 4.932) 5.007 2.197 ( 0.000 0.558 -4.854) 4.886 2.235 ( 0.000 1.675 -1.710) 2.393 2.307 ( 0.000 -4.176 -1.618) 4.478 2.415 ( 0.000 -5.533 -7.306) 9.164 2.483 ( 0.000 -0.951 -10.755) 10.797 2.509 ( 0.000 -1.279 -7.449) 7.558 2.570 ( 0.000 0.327 10.503) 10.508 2.646 ( 0.000 10.121 2.643) 10.460 2.651 ( 0.000 2.856 -1.627) 3.287 2.711 ( 0.000 -3.487 5.600) 6.597 2.738 ( 0.000 0.647 -4.061) 4.112 2.805 ( 0.000 2.072 -3.133) 3.756 2.944 ( 0.000 -1.597 1.048) 1.911 2.948 ( 0.000 -2.198 -2.462) 3.300 2.982 ( 0.000 8.269 34.233) 35.217 2.996 ( 0.000 -2.795 -12.165) 12.482 3.040 ( 0.000 -7.555 -7.462) 10.619 3.176 ( 0.000 5.859 15.632) 16.694 3.205 ( 0.000 1.945 4.426) 4.835 3.282 ( 0.000 2.413 -2.630) 3.570 3.376 ( 0.000 4.363 10.714) 11.569 3.391 ( 0.000 14.724 -1.048) 14.762 3.415 ( 0.000 -2.578 -6.023) 6.552 3.643 ( 0.000 -0.848 15.677) 15.700 3.668 ( 0.000 5.145 -0.582) 5.178 3.686 ( 0.000 7.297 4.854) 8.764 3.732 ( 0.000 -4.983 4.072) 6.435 3.823 ( 0.000 1.426 3.097) 3.410 3.874 ( 0.000 1.292 7.433) 7.545 3.945 ( 0.000 -3.594 16.581) 16.966 4.025 ( 0.000 -4.205 2.184) 4.738 4.029 ( 0.000 -3.796 6.245) 7.308 4.058 ( 0.000 -6.594 10.201) 12.146 4.072 ( 0.000 -4.449 0.621) 4.492 4.096 ( 0.000 -1.417 6.143) 6.304 4.132 ( 0.000 -10.752 11.424) 15.688 4.280 ( 0.000 2.525 7.556) 7.967 4.383 ( 0.000 -1.793 1.653) 2.439 4.393 ( 0.000 -2.203 7.120) 7.453 4.399 ( 0.000 -1.078 9.413) 9.474 4.443 ( 0.000 0.930 0.131) 0.939 4.533 ( 0.000 1.388 -2.005) 2.438 4.564 ( 0.000 -2.337 -1.483) 2.768 4.627 ( 0.000 0.378 -1.447) 1.496 4.705 ( 0.000 2.598 10.585) 10.899 4.753 ( 0.000 -0.610 3.989) 4.036 4.756 ( 0.000 -0.283 2.460) 2.477 4.767 ( 0.000 -2.289 -1.192) 2.581 4.821 ( 0.000 0.354 0.743) 0.823 4.855 ( 0.000 -0.686 0.167) 0.706 4.880 ( 0.000 6.449 -6.777) 9.355 4.907 ( 0.000 4.322 -0.627) 4.368 5.032 ( 0.000 3.564 15.183) 15.596 5.104 ( 0.000 0.415 -0.865) 0.960 5.202 ( 0.000 -1.687 1.969) 2.593 5.215 ( 0.000 -2.860 1.796) 3.377 5.249 ( 0.000 0.519 -4.523) 4.553 5.342 ( 0.000 -2.432 -6.585) 7.020 5.366 ( 0.000 1.070 2.800) 2.997 5.370 ( 0.000 -0.871 -2.769) 2.902 5.492 ( 0.000 -1.305 7.640) 7.751 5.492 ( 0.000 -0.742 1.010) 1.253 5.684 ( 0.000 -0.641 3.519) 3.576 5.716 ( 0.000 -2.120 1.840) 2.807 5.777 ( 0.000 2.797 -2.528) 3.770 5.799 ( 0.000 1.375 -3.381) 3.650 5.804 ( 0.000 1.392 0.585) 1.510 5.812 ( 0.000 0.549 -0.269) 0.612 5.863 ( 0.000 3.529 1.499) 3.835 5.916 ( 0.000 1.056 11.704) 11.752 5.997 ( 0.000 -2.457 12.339) 12.581 6.057 ( 0.000 -1.758 0.427) 1.809 6.101 ( 0.000 0.653 6.724) 6.756 6.125 ( 0.000 -0.538 3.025) 3.072 6.292 ( 0.000 4.761 -2.735) 5.490 6.322 ( 0.000 1.766 -15.930) 16.028 6.405 ( 0.000 -1.055 -13.174) 13.216 6.486 ( 0.000 -1.524 -0.928) 1.785 6.605 ( 0.000 9.835 -2.472) 10.141 6.907 ( 0.000 1.204 -2.373) 2.661 6.920 ( 0.000 1.060 -7.666) 7.739 7.014 ( 0.000 -3.043 -3.512) 4.647 7.028 ( 0.000 -1.294 -1.929) 2.323 7.076 ( 0.000 -3.857 -1.770) 4.243 7.307 ( 0.000 -1.659 -1.276) 2.093 7.326 ( 0.000 -0.696 -7.034) 7.068 7.418 ( 0.000 1.129 -5.417) 5.533 7.480 ( 0.000 -1.742 -2.275) 2.865 7.594 ( 0.000 1.922 1.410) 2.384 7.748 ( 0.000 -5.534 2.450) 6.052 7.859 ( 0.000 0.035 -6.698) 6.698 7.868 ( 0.000 -0.225 -8.080) 8.083 8.012 ( 0.000 6.876 -12.477) 14.246 8.083 ( 0.000 0.415 -5.225) 5.242 8.187 ( 0.000 -1.345 -11.014) 11.096 8.341 ( 0.000 -1.208 -18.826) 18.865 8.374 ( 0.000 1.248 -17.836) 17.879 8.573 ( 0.000 -10.623 -19.449) 22.161 8.759 ( 0.000 2.207 -16.867) 17.011 8.844 ( 0.000 -0.927 -14.948) 14.977 8.977 ( 0.000 1.404 -13.648) 13.720 9.086 ( 0.000 -3.082 -14.224) 14.554 9.221 ( 0.000 1.810 1.773) 2.534 9.242 ( 0.000 3.160 4.811) 5.756 9.349 ( 0.000 2.606 -3.142) 4.082 9.401 ( 0.000 -0.650 1.895) 2.004 9.407 ( 0.000 1.293 -3.149) 3.405 9.513 ( 0.000 2.575 8.591) 8.968 9.603 ( 0.000 -4.063 -6.522) 7.684 9.732 ( 0.000 -4.580 -0.199) 4.584 9.816 ( 0.000 14.430 1.539) 14.512 9.863 ( 0.000 2.046 -3.352) 3.928 10.018 ( 0.000 -0.093 1.563) 1.565 10.096 ( 0.000 3.598 4.357) 5.651 10.164 ( 0.000 -1.857 9.625) 9.802 10.241 ( 0.000 6.645 0.733) 6.685 10.255 ( 0.000 0.605 13.206) 13.220 10.298 ( 0.000 2.265 3.600) 4.253 10.624 ( 0.000 -0.145 -3.965) 3.968 10.712 ( 0.000 -0.310 7.847) 7.853 10.736 ( 0.000 -4.221 2.709) 5.015 10.770 ( 0.000 -2.163 9.642) 9.881 10.883 ( 0.000 -7.746 4.567) 8.992 10.954 ( 0.000 -24.602 17.415) 30.142 11.020 ( 0.000 -0.667 8.503) 8.529 11.145 ( 0.000 -4.435 11.803) 12.609 11.284 ( 0.000 5.607 6.097) 8.284 11.423 ( 0.000 -1.435 7.528) 7.664 11.577 ( 0.000 1.701 6.107) 6.339 11.652 ( 0.000 -0.424 0.273) 0.504 11.716 ( 0.000 0.070 0.085) 0.110 11.734 ( 0.000 -0.527 7.449) 7.468 12.312 ( 0.000 5.660 -8.403) 10.131 12.437 ( 0.000 -2.912 -4.575) 5.423 12.555 ( 0.000 3.944 -11.469) 12.128 12.609 ( 0.000 -1.029 -5.807) 5.898 12.845 ( 0.000 6.116 -3.128) 6.869 12.877 ( 0.000 2.695 -22.076) 22.240 13.002 ( 0.000 2.027 -18.269) 18.381 13.046 ( 0.000 -1.745 -19.021) 19.101 13.258 ( 0.000 1.558 -19.135) 19.199 13.311 ( 0.000 -0.745 -10.640) 10.666 14.455 ( 0.000 0.644 6.386) 6.418 14.486 ( 0.000 -0.507 6.088) 6.109 14.926 ( 0.000 0.910 -4.007) 4.109 14.949 ( 0.000 0.257 -4.201) 4.209 18.524 ( 0.000 -0.434 4.094) 4.117 18.532 ( 0.000 -1.429 3.320) 3.614 18.680 ( 0.000 5.640 4.729) 7.360 18.806 ( 0.000 2.108 -5.178) 5.591 18.936 ( 0.000 -3.069 -4.390) 5.357 18.949 ( 0.000 -5.144 10.372) 11.577 19.157 ( 0.000 3.552 -10.153) 10.757 19.364 ( 0.000 -3.862 -1.486) 4.138 19.752 ( 0.000 0.873 5.518) 5.587 19.786 ( 0.000 -0.479 6.221) 6.240 20.280 ( 0.000 -0.083 -11.040) 11.040 20.328 ( 0.000 -1.874 -8.352) 8.560 21.062 ( 0.000 4.916 35.893) 36.229 21.386 ( 0.000 3.527 19.080) 19.404 21.499 ( 0.000 -14.531 14.446) 20.489 21.499 ( 0.000 3.440 4.437) 5.614 21.556 ( 0.000 -2.362 5.055) 5.580 21.615 ( 0.000 1.707 8.881) 9.044 21.732 ( 0.000 -3.021 4.499) 5.420 21.799 ( 0.000 -9.382 -0.804) 9.417 24.338 ( 0.000 11.694 36.425) 38.256 24.771 ( 0.000 -6.467 21.278) 22.239 24.842 ( 0.000 4.389 45.501) 45.712 25.083 ( 0.000 -3.994 28.594) 28.871 26.694 ( 0.000 0.249 -24.950) 24.952 26.706 ( 0.000 -0.211 -23.933) 23.934 27.146 ( 0.000 -0.004 -20.029) 20.029 27.155 ( 0.000 -0.282 -19.725) 19.727 ======================= Grid point 56 (23/36) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.112 5.840 22.072) 23.913 1.321 ( 14.583 8.311 17.982) 24.598 1.767 ( 1.964 -14.904 9.872) 17.984 1.847 ( 1.861 -8.246 11.667) 14.407 2.003 ( -10.480 1.345 9.736) 14.367 2.113 ( -2.472 -1.006 13.790) 14.046 2.168 ( 3.289 3.908 7.836) 9.354 2.270 ( 3.260 1.392 -8.141) 8.879 2.347 ( 3.325 -9.818 2.765) 10.728 2.447 ( 1.749 -2.375 -9.823) 10.256 2.480 ( 0.272 -2.203 -9.910) 10.156 2.508 ( 3.363 -2.632 -6.508) 7.784 2.542 ( -4.182 7.922 9.292) 12.907 2.673 ( 5.257 0.007 8.433) 9.938 2.710 ( 5.350 1.722 -1.485) 5.814 2.738 ( 0.980 0.658 -4.400) 4.555 2.790 ( 3.470 2.080 2.252) 4.630 2.851 ( 3.745 -0.333 -4.658) 5.987 2.893 ( -2.978 -1.751 -5.856) 6.799 2.933 ( 0.977 -2.015 -0.333) 2.264 2.968 ( -2.339 -2.663 -10.209) 10.807 3.031 ( -1.869 0.696 6.424) 6.726 3.083 ( 2.107 2.296 16.613) 16.902 3.147 ( 2.868 3.139 12.134) 12.857 3.185 ( -2.525 0.647 4.698) 5.373 3.274 ( -1.003 2.827 -2.828) 4.122 3.371 ( -0.707 6.753 9.474) 11.656 3.377 ( -2.579 0.843 -2.698) 3.826 3.419 ( -2.049 5.857 -1.162) 6.313 3.544 ( -13.173 1.241 1.649) 13.333 3.586 ( -6.927 0.982 10.356) 12.498 3.614 ( -5.133 5.297 5.945) 9.474 3.627 ( -7.360 7.248 4.471) 11.255 3.704 ( -17.703 -3.761 4.470) 18.642 3.764 ( -2.818 2.519 -9.766) 10.472 3.881 ( -4.555 -1.539 5.424) 7.248 3.968 ( -5.320 -1.766 1.876) 5.911 4.024 ( 2.274 -1.061 14.233) 14.452 4.054 ( -8.781 -2.791 6.171) 11.089 4.088 ( 1.596 -4.630 16.521) 17.232 4.132 ( -0.660 -6.157 11.466) 13.032 4.155 ( 3.028 -3.651 15.987) 16.675 4.208 ( -2.217 -2.926 6.838) 7.761 4.237 ( -4.234 -3.193 3.916) 6.593 4.298 ( -3.050 -1.493 3.390) 4.798 4.401 ( -7.981 1.631 9.100) 12.213 4.413 ( -6.015 -3.885 2.934) 7.739 4.443 ( -4.642 -0.191 5.279) 7.032 4.504 ( 1.439 -1.614 2.573) 3.361 4.584 ( -1.923 -1.743 4.827) 5.480 4.684 ( 1.427 -0.524 -0.658) 1.657 4.704 ( 0.406 -0.393 2.224) 2.295 4.762 ( -0.604 -0.021 3.438) 3.491 4.764 ( 0.509 -0.350 2.768) 2.836 4.857 ( 1.106 3.347 -2.557) 4.355 4.918 ( 2.664 4.148 -4.408) 6.613 4.975 ( 5.118 -0.079 2.817) 5.843 4.998 ( 2.516 3.072 3.902) 5.568 5.051 ( 0.855 1.107 10.337) 10.432 5.162 ( 3.271 -1.152 -2.485) 4.267 5.168 ( -3.746 -1.263 1.593) 4.262 5.189 ( -0.667 -1.204 0.377) 1.427 5.236 ( 1.417 0.655 -6.491) 6.676 5.316 ( 0.107 -1.793 -4.695) 5.027 5.386 ( 1.568 0.069 0.474) 1.640 5.415 ( 1.588 -1.732 -4.504) 5.080 5.535 ( 3.625 0.539 1.037) 3.809 5.572 ( 3.641 -0.127 1.550) 3.959 5.686 ( -0.221 -0.677 2.417) 2.520 5.704 ( 2.519 1.214 3.710) 4.646 5.782 ( -0.648 0.292 0.785) 1.059 5.788 ( -1.415 0.247 0.442) 1.503 5.798 ( -2.457 0.830 0.122) 2.596 5.834 ( 3.072 0.582 -2.230) 3.841 5.875 ( 3.092 2.794 -1.503) 4.430 5.992 ( 0.220 -1.126 4.527) 4.670 6.024 ( 6.966 0.244 8.439) 10.945 6.083 ( 2.362 -0.830 7.332) 7.748 6.115 ( 0.901 0.636 6.886) 6.973 6.135 ( 0.689 -1.060 3.848) 4.050 6.320 ( 2.147 2.765 -13.586) 14.029 6.391 ( 0.229 0.538 -12.183) 12.197 6.429 ( 7.245 3.559 -7.779) 11.210 6.587 ( 5.964 -1.590 -4.040) 7.377 6.670 ( 6.123 6.139 -1.702) 8.836 6.915 ( 2.448 2.004 -2.599) 4.094 6.967 ( 2.132 -0.001 -5.575) 5.968 7.035 ( 2.016 -3.010 -2.419) 4.356 7.068 ( 3.467 -2.224 -5.398) 6.790 7.083 ( 1.339 -2.018 -1.181) 2.695 7.272 ( -2.461 0.236 -2.103) 3.246 7.319 ( -2.260 -1.227 -5.817) 6.360 7.392 ( -0.944 2.207 -6.577) 7.001 7.475 ( -1.402 0.592 -3.645) 3.950 7.635 ( 3.161 -1.838 0.278) 3.667 7.749 ( 0.040 -5.440 2.273) 5.896 7.820 ( -0.337 1.644 -7.383) 7.571 7.889 ( 0.372 -0.198 -3.697) 3.721 8.087 ( 3.433 1.178 -8.303) 9.061 8.109 ( 3.631 1.677 -6.702) 7.804 8.198 ( 2.359 0.472 -13.015) 13.235 8.348 ( 0.574 -0.852 -18.647) 18.675 8.374 ( -0.145 0.827 -17.999) 18.018 8.534 ( -3.229 -8.555 -17.527) 19.769 8.784 ( 2.360 2.255 -15.472) 15.813 8.880 ( 2.142 -1.035 -14.409) 14.604 8.988 ( 1.240 0.809 -12.787) 12.873 9.092 ( 0.216 -2.615 -13.157) 13.416 9.236 ( 1.296 1.564 -1.446) 2.493 9.292 ( 3.744 2.608 3.928) 6.021 9.367 ( 1.115 4.235 -3.012) 5.315 9.377 ( 0.172 -0.523 -3.023) 3.073 9.422 ( 0.044 1.627 0.055) 1.628 9.548 ( 3.712 0.993 9.343) 10.102 9.567 ( -3.292 -1.560 -4.719) 5.962 9.683 ( -3.970 -2.409 0.382) 4.660 9.736 ( -4.490 7.118 -3.880) 9.267 9.927 ( 1.943 4.232 3.116) 5.603 9.985 ( -0.930 -0.815 -0.087) 1.240 10.088 ( -0.237 1.801 6.394) 6.647 10.167 ( -0.220 -4.144 8.714) 9.652 10.271 ( 0.814 0.908 7.233) 7.335 10.278 ( 2.852 1.500 11.749) 12.183 10.383 ( 7.058 8.651 2.885) 11.532 10.617 ( -10.685 -8.482 15.809) 20.882 10.647 ( 1.304 -0.093 0.028) 1.308 10.733 ( 0.234 2.217 10.781) 11.009 10.779 ( 2.371 -1.960 10.086) 10.545 10.877 ( 3.200 -5.913 2.153) 7.060 10.945 ( 4.186 -8.512 0.758) 9.516 11.169 ( 3.623 -2.560 8.826) 9.878 11.213 ( 7.235 -5.543 7.140) 11.578 11.283 ( 0.628 3.489 6.744) 7.619 11.412 ( -1.054 -1.285 7.252) 7.440 11.591 ( 1.468 0.670 5.724) 5.947 11.660 ( 0.400 -0.469 -1.987) 2.081 11.707 ( -0.659 -0.240 0.030) 0.702 11.748 ( 1.198 -2.105 10.362) 10.641 12.271 ( -4.508 9.866 -7.113) 12.971 12.395 ( -6.431 0.911 -4.815) 8.085 12.412 ( -7.385 1.981 -8.363) 11.332 12.576 ( -3.705 -2.300 -6.956) 8.210 12.683 ( -7.235 2.421 -0.938) 7.687 12.794 ( -10.734 0.605 -11.095) 15.450 12.954 ( 0.306 1.473 -18.347) 18.408 13.060 ( -0.643 -3.499 -18.235) 18.579 13.234 ( 1.165 4.068 -18.369) 18.850 13.354 ( 1.584 -1.409 -16.623) 16.758 14.709 ( 23.430 0.241 9.100) 25.136 14.720 ( 20.811 -0.181 8.138) 22.347 15.280 ( 31.246 4.618 -8.320) 32.663 15.617 ( 52.961 -8.288 -27.836) 60.402 17.878 ( -40.273 2.117 6.217) 40.805 18.001 ( -40.545 -2.427 8.459) 41.489 18.449 ( -27.242 4.648 -12.947) 30.518 18.762 ( -17.731 -7.247 -15.159) 24.427 19.006 ( 10.932 1.758 2.821) 11.426 19.155 ( 7.046 -2.539 5.486) 9.284 19.235 ( 8.006 4.348 -4.000) 9.950 19.425 ( 3.579 -2.929 -0.543) 4.657 19.837 ( 6.772 0.490 4.766) 8.296 19.866 ( 6.324 -0.562 5.498) 8.398 20.173 ( -7.526 0.587 0.050) 7.549 20.238 ( -7.533 -1.770 -3.790) 8.617 21.142 ( 5.981 3.186 29.382) 30.153 21.366 ( -1.635 3.110 18.964) 19.286 21.500 ( 0.133 2.600 4.778) 5.442 21.514 ( 1.182 -9.775 10.462) 14.367 21.551 ( -0.273 -3.366 7.851) 8.547 21.620 ( 0.344 -0.024 6.622) 6.631 21.732 ( -0.115 -2.919 5.239) 5.998 21.775 ( -2.109 -8.074 1.000) 8.404 24.398 ( 5.368 11.372 37.877) 39.910 24.776 ( -4.814 4.369 44.246) 44.721 24.842 ( 5.179 -4.674 23.057) 24.089 25.075 ( -0.826 -4.482 27.475) 27.850 26.744 ( 4.549 0.226 -24.488) 24.908 26.755 ( 4.424 -0.193 -23.539) 23.952 27.120 ( -2.496 0.002 -20.250) 20.403 27.127 ( -2.732 -0.209 -20.146) 20.332 ======================= Grid point 57 (24/36) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 10.300 2.004 17.038) 20.010 1.577 ( 3.447 -1.055 12.666) 13.169 1.743 ( -4.840 3.076 13.247) 14.435 1.833 ( -2.736 -3.167 9.518) 10.398 1.875 ( 4.277 -3.239 10.966) 12.209 2.015 ( -6.096 -0.835 11.159) 12.743 2.278 ( 3.909 -0.833 12.903) 13.508 2.336 ( -2.876 -6.737 13.058) 14.972 2.418 ( 8.847 1.388 -10.740) 13.984 2.488 ( 0.931 -0.588 -9.666) 9.728 2.518 ( 5.259 1.338 -9.372) 10.829 2.580 ( 2.761 0.150 -9.285) 9.688 2.635 ( 11.102 1.000 1.911) 11.310 2.749 ( -0.262 0.770 -14.478) 14.501 2.779 ( -0.831 0.444 -9.388) 9.435 2.811 ( 5.443 -3.389 9.101) 11.133 2.826 ( 1.427 -0.352 -2.084) 2.550 2.863 ( 3.850 -1.388 -0.643) 4.143 2.895 ( -2.666 -2.742 1.037) 3.962 2.923 ( -0.842 -2.110 -3.324) 4.026 2.997 ( -1.274 1.182 -1.084) 2.048 3.007 ( 0.942 -1.906 0.105) 2.129 3.057 ( -4.389 -3.923 1.102) 5.989 3.063 ( -6.948 -1.845 -0.298) 7.195 3.123 ( -8.447 0.663 1.415) 8.591 3.212 ( -7.269 1.239 0.017) 7.374 3.221 ( -10.376 -2.242 0.554) 10.629 3.295 ( -4.347 0.665 5.756) 7.243 3.322 ( 4.808 2.384 12.047) 13.188 3.395 ( -4.024 2.172 -2.758) 5.340 3.428 ( -3.952 3.989 7.022) 8.991 3.442 ( -0.758 11.137 12.471) 16.737 3.518 ( -3.160 7.198 12.588) 14.841 3.609 ( 3.702 11.610 3.016) 12.554 3.682 ( -13.199 3.427 17.527) 22.207 3.736 ( -4.546 5.620 -9.435) 11.886 3.842 ( -3.139 4.037 -2.928) 5.892 3.869 ( -3.636 1.315 -6.762) 7.789 4.093 ( 2.596 -2.454 13.416) 13.883 4.119 ( 2.257 -4.530 24.539) 25.056 4.137 ( 0.176 -7.787 23.118) 24.395 4.141 ( -2.247 -0.015 6.420) 6.801 4.191 ( -0.661 -5.144 18.037) 18.767 4.209 ( -2.036 -8.620 11.488) 14.506 4.278 ( 0.392 -6.283 12.844) 14.304 4.312 ( 1.195 -0.853 0.832) 1.688 4.334 ( -2.388 -6.817 7.118) 10.141 4.360 ( -3.146 -2.196 4.288) 5.754 4.547 ( 1.852 -0.305 0.621) 1.977 4.570 ( -0.500 0.130 1.286) 1.386 4.708 ( 0.928 -1.529 0.679) 1.913 4.722 ( -0.009 -2.039 1.254) 2.393 4.757 ( 0.674 -0.937 2.490) 2.745 4.769 ( -0.141 -1.481 1.397) 2.041 4.889 ( 2.185 4.300 0.695) 4.873 4.932 ( -1.299 4.395 -2.538) 5.239 5.011 ( 0.666 3.512 3.933) 5.315 5.037 ( -0.810 2.219 10.359) 10.624 5.055 ( 1.672 -2.488 4.094) 5.074 5.097 ( -2.505 -1.296 2.935) 4.071 5.168 ( -0.176 0.482 -4.652) 4.680 5.177 ( -0.698 0.309 -4.092) 4.163 5.315 ( 2.826 -1.238 -6.973) 7.625 5.333 ( 0.702 -1.250 -6.687) 6.839 5.417 ( 1.613 -0.429 -0.752) 1.830 5.435 ( 0.144 -0.915 -3.610) 3.727 5.583 ( 1.467 1.299 0.557) 2.038 5.601 ( -0.205 1.087 0.080) 1.109 5.699 ( 1.518 0.286 1.441) 2.113 5.743 ( -2.478 0.326 0.960) 2.678 5.769 ( -0.130 0.021 0.589) 0.603 5.774 ( -0.328 0.040 0.663) 0.740 5.797 ( 4.141 0.494 0.728) 4.233 5.853 ( -1.131 -1.387 -1.365) 2.251 5.940 ( 3.138 1.900 -2.896) 4.673 5.987 ( -1.315 0.648 -2.310) 2.736 6.102 ( 1.122 -0.233 7.603) 7.689 6.113 ( -0.161 -0.362 6.729) 6.741 6.164 ( 2.816 0.964 7.388) 7.965 6.169 ( 2.110 0.792 8.332) 8.631 6.357 ( 1.336 2.098 -14.958) 15.164 6.378 ( -0.874 1.530 -14.590) 14.697 6.570 ( 5.259 0.728 -3.934) 6.608 6.635 ( -1.012 -1.839 -4.170) 4.669 6.823 ( 7.879 1.302 -1.301) 8.091 6.947 ( -3.698 -2.848 -2.703) 5.394 7.011 ( 5.710 3.356 -3.298) 7.399 7.072 ( 0.553 0.373 -3.951) 4.006 7.108 ( 1.828 0.074 -0.499) 1.896 7.174 ( 4.348 -0.205 -7.626) 8.781 7.189 ( -4.875 -0.067 -2.135) 5.323 7.261 ( -3.038 -2.245 -9.335) 10.070 7.395 ( 0.863 3.626 -5.848) 6.935 7.427 ( -2.427 4.431 -5.520) 7.483 7.698 ( 2.758 -5.352 -0.523) 6.044 7.739 ( -1.227 -5.854 0.768) 6.030 7.848 ( 2.174 0.633 -3.049) 3.797 7.883 ( -1.035 -0.110 -2.165) 2.403 8.130 ( 1.586 0.651 -6.305) 6.534 8.146 ( 0.052 -0.171 -6.669) 6.672 8.322 ( 7.216 0.124 -14.410) 16.117 8.361 ( 0.919 -0.317 -18.545) 18.571 8.367 ( -0.472 0.238 -18.308) 18.316 8.454 ( -4.856 -4.527 -15.232) 16.616 8.842 ( 2.945 1.982 -12.819) 13.302 8.889 ( -1.323 0.972 -12.528) 12.635 9.029 ( 2.576 -0.825 -10.799) 11.133 9.077 ( -1.804 -1.463 -10.784) 11.031 9.277 ( 2.921 -0.583 -6.500) 7.150 9.328 ( -0.780 -0.694 -3.650) 3.796 9.386 ( 0.655 1.546 -0.132) 1.684 9.398 ( -0.229 1.274 -3.290) 3.535 9.431 ( 2.115 5.041 -1.016) 5.561 9.492 ( -3.503 3.700 -1.906) 5.440 9.615 ( 0.451 0.909 3.756) 3.891 9.651 ( -1.111 1.529 3.939) 4.369 9.690 ( 5.302 3.880 0.863) 6.627 9.854 ( -7.793 -1.261 4.793) 9.235 10.015 ( 3.178 -5.769 1.010) 6.663 10.083 ( -2.044 -4.519 4.718) 6.845 10.196 ( 3.715 1.220 7.732) 8.664 10.265 ( -2.024 2.016 7.306) 7.845 10.338 ( 3.039 0.103 20.874) 21.094 10.411 ( -4.651 -1.410 23.572) 24.068 10.558 ( 5.660 7.157 3.484) 9.767 10.646 ( -2.228 4.657 0.346) 5.174 10.758 ( 2.315 1.659 9.221) 9.651 10.804 ( -0.966 -0.105 7.796) 7.857 10.958 ( 3.718 -5.102 -2.482) 6.784 11.000 ( 0.128 -6.280 -1.852) 6.549 11.253 ( 4.306 0.485 9.319) 10.278 11.295 ( 2.296 1.528 6.850) 7.384 11.326 ( 1.312 0.220 6.589) 6.722 11.379 ( -2.344 -1.032 6.924) 7.382 11.647 ( 3.406 -2.253 0.974) 4.198 11.666 ( 0.356 -0.725 -2.825) 2.938 11.698 ( 0.690 -2.406 1.630) 2.987 11.754 ( -1.699 -4.473 10.072) 11.150 12.201 ( 1.780 9.152 0.165) 9.325 12.294 ( -2.224 0.106 -10.227) 10.467 12.321 ( -3.530 -1.153 -9.702) 10.388 12.395 ( -12.150 -0.526 -6.663) 13.867 12.616 ( -0.667 0.045 -4.119) 4.172 12.635 ( -3.087 -0.238 -4.277) 5.280 12.980 ( 1.705 0.657 -15.060) 15.170 13.021 ( -2.355 -0.998 -14.934) 15.152 13.297 ( 3.645 1.686 -20.947) 21.329 13.353 ( -1.602 -0.525 -19.962) 20.034 15.230 ( 23.587 0.467 11.237) 26.131 15.255 ( 23.006 -0.434 12.902) 26.380 16.067 ( 40.961 7.555 -16.502) 44.802 16.472 ( 16.324 -6.334 -32.117) 36.580 17.111 ( -27.516 1.211 6.940) 28.403 17.186 ( -32.766 -1.605 9.183) 34.066 17.932 ( -11.295 0.984 -25.015) 27.464 18.247 ( -29.359 -9.502 -29.538) 42.717 19.161 ( 4.906 0.921 4.006) 6.400 19.216 ( -0.373 -1.063 4.829) 4.959 19.386 ( 6.223 2.043 -3.389) 7.375 19.459 ( -0.719 -0.821 -1.895) 2.187 19.950 ( 3.024 -0.330 3.935) 4.974 19.961 ( 1.885 -0.508 4.154) 4.590 20.074 ( -1.408 0.198 8.379) 8.499 20.101 ( -4.372 -0.691 5.516) 7.072 21.251 ( 4.458 2.433 23.909) 24.442 21.323 ( -2.734 3.164 20.178) 20.607 21.505 ( 0.458 1.043 5.764) 5.875 21.519 ( -0.743 0.356 6.069) 6.125 21.573 ( 2.442 -8.425 7.023) 11.237 21.616 ( -1.170 -3.955 3.917) 5.688 21.727 ( -0.243 -3.168 6.431) 7.173 21.734 ( -1.334 -5.310 5.438) 7.717 24.524 ( 6.568 10.344 41.312) 43.091 24.655 ( -6.395 8.330 44.610) 45.829 24.962 ( 5.508 -5.708 22.463) 23.822 25.044 ( -2.578 -5.322 24.799) 25.494 26.848 ( 4.536 0.125 -23.452) 23.887 26.854 ( 4.082 -0.101 -22.889) 23.250 27.057 ( -3.061 -0.040 -20.808) 21.032 27.058 ( -3.275 -0.070 -20.969) 21.224 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -13.694 16.982) 21.816 1.409 ( 0.000 13.694 16.982) 21.816 1.441 ( 0.000 -16.483 14.343) 21.850 1.441 ( 0.000 16.483 14.343) 21.850 2.134 ( 0.000 -3.260 14.223) 14.591 2.134 ( 0.000 3.260 14.223) 14.591 2.242 ( 0.000 -2.876 -0.438) 2.909 2.242 ( 0.000 2.876 -0.438) 2.909 2.307 ( 0.000 -4.456 -8.371) 9.483 2.307 ( 0.000 4.456 -8.371) 9.483 2.483 ( 0.000 -1.003 -10.417) 10.465 2.483 ( 0.000 1.003 -10.417) 10.465 2.609 ( 0.000 -3.319 7.264) 7.986 2.609 ( 0.000 3.319 7.264) 7.986 2.729 ( 0.000 -1.931 -0.489) 1.992 2.729 ( 0.000 1.931 -0.489) 1.992 2.835 ( 0.000 -7.330 1.153) 7.420 2.835 ( 0.000 7.330 1.153) 7.420 2.886 ( 0.000 -6.398 -2.436) 6.846 2.886 ( 0.000 6.398 -2.436) 6.846 2.937 ( 0.000 -1.420 -10.400) 10.497 2.937 ( 0.000 1.420 -10.400) 10.497 3.184 ( 0.000 -5.743 20.335) 21.130 3.184 ( 0.000 5.743 20.335) 21.130 3.306 ( 0.000 -6.580 6.034) 8.928 3.306 ( 0.000 6.580 6.034) 8.928 3.374 ( 0.000 -6.195 5.644) 8.380 3.374 ( 0.000 6.195 5.644) 8.380 3.629 ( 0.000 -1.379 7.258) 7.388 3.629 ( 0.000 1.379 7.258) 7.388 3.739 ( 0.000 -13.700 4.085) 14.296 3.739 ( 0.000 13.700 4.085) 14.296 3.783 ( 0.000 -5.568 7.802) 9.585 3.783 ( 0.000 5.568 7.802) 9.585 3.876 ( 0.000 -3.795 7.832) 8.703 3.876 ( 0.000 3.795 7.832) 8.703 3.952 ( 0.000 -2.281 15.303) 15.472 3.952 ( 0.000 2.281 15.303) 15.472 3.972 ( 0.000 -0.988 2.581) 2.763 3.972 ( 0.000 0.988 2.581) 2.763 4.053 ( 0.000 -1.266 2.480) 2.785 4.053 ( 0.000 1.266 2.480) 2.785 4.330 ( 0.000 -1.716 4.496) 4.813 4.330 ( 0.000 1.716 4.496) 4.813 4.385 ( 0.000 -0.216 1.513) 1.528 4.385 ( 0.000 0.216 1.513) 1.528 4.484 ( 0.000 -2.918 -0.630) 2.985 4.484 ( 0.000 2.918 -0.630) 2.985 4.601 ( 0.000 -2.697 -2.701) 3.817 4.601 ( 0.000 2.697 -2.701) 3.817 4.734 ( 0.000 -0.781 5.392) 5.449 4.734 ( 0.000 0.781 5.392) 5.449 4.751 ( 0.000 -0.262 4.054) 4.063 4.751 ( 0.000 0.262 4.054) 4.063 4.831 ( 0.000 -1.045 0.133) 1.054 4.831 ( 0.000 1.045 0.133) 1.054 4.969 ( 0.000 -0.098 -3.897) 3.898 4.969 ( 0.000 0.098 -3.897) 3.898 5.122 ( 0.000 -4.694 5.734) 7.411 5.122 ( 0.000 4.694 5.734) 7.411 5.146 ( 0.000 -3.627 1.657) 3.987 5.146 ( 0.000 3.627 1.657) 3.987 5.277 ( 0.000 -2.256 -5.983) 6.394 5.277 ( 0.000 2.256 -5.983) 6.394 5.377 ( 0.000 -0.342 1.870) 1.901 5.377 ( 0.000 0.342 1.870) 1.901 5.476 ( 0.000 -0.373 4.456) 4.472 5.476 ( 0.000 0.373 4.456) 4.472 5.680 ( 0.000 -0.739 2.651) 2.752 5.680 ( 0.000 0.739 2.651) 2.752 5.813 ( 0.000 -0.291 -3.679) 3.690 5.813 ( 0.000 0.291 -3.679) 3.690 5.820 ( 0.000 -0.733 -0.127) 0.744 5.820 ( 0.000 0.733 -0.127) 0.744 5.949 ( 0.000 -2.006 12.340) 12.501 5.949 ( 0.000 2.006 12.340) 12.501 5.974 ( 0.000 -5.646 1.029) 5.739 5.974 ( 0.000 5.646 1.029) 5.739 6.114 ( 0.000 -0.504 5.382) 5.406 6.114 ( 0.000 0.504 5.382) 5.406 6.369 ( 0.000 -2.240 -13.199) 13.388 6.369 ( 0.000 2.240 -13.199) 13.388 6.411 ( 0.000 -5.284 -2.144) 5.702 6.411 ( 0.000 5.284 -2.144) 5.702 6.840 ( 0.000 -10.031 -4.410) 10.958 6.840 ( 0.000 10.031 -4.410) 10.958 6.956 ( 0.000 -2.149 -5.438) 5.847 6.956 ( 0.000 2.149 -5.438) 5.847 7.000 ( 0.000 -0.198 -0.138) 0.241 7.000 ( 0.000 0.198 -0.138) 0.241 7.306 ( 0.000 -0.947 -4.211) 4.316 7.306 ( 0.000 0.947 -4.211) 4.316 7.443 ( 0.000 -1.507 -3.724) 4.018 7.443 ( 0.000 1.507 -3.724) 4.018 7.652 ( 0.000 -3.539 1.659) 3.909 7.652 ( 0.000 3.539 1.659) 3.909 7.862 ( 0.000 -0.260 -7.711) 7.716 7.862 ( 0.000 0.260 -7.711) 7.716 8.097 ( 0.000 -0.306 -6.206) 6.213 8.097 ( 0.000 0.306 -6.206) 6.213 8.245 ( 0.000 -7.603 -18.801) 20.280 8.245 ( 0.000 7.603 -18.801) 20.280 8.412 ( 0.000 -3.113 -18.043) 18.309 8.412 ( 0.000 3.113 -18.043) 18.309 8.810 ( 0.000 -2.247 -16.412) 16.565 8.810 ( 0.000 2.247 -16.412) 16.565 9.023 ( 0.000 -2.723 -13.490) 13.762 9.023 ( 0.000 2.723 -13.490) 13.762 9.262 ( 0.000 -1.394 2.091) 2.513 9.262 ( 0.000 1.394 2.091) 2.513 9.379 ( 0.000 -1.334 -0.264) 1.360 9.379 ( 0.000 1.334 -0.264) 1.360 9.497 ( 0.000 -5.443 -4.451) 7.031 9.497 ( 0.000 5.443 -4.451) 7.031 9.610 ( 0.000 -5.860 5.645) 8.137 9.610 ( 0.000 5.860 5.645) 8.137 9.929 ( 0.000 -3.226 1.337) 3.492 9.929 ( 0.000 3.226 1.337) 3.492 10.082 ( 0.000 -5.863 5.982) 8.376 10.082 ( 0.000 5.863 5.982) 8.376 10.262 ( 0.000 -0.890 8.094) 8.143 10.262 ( 0.000 0.890 8.094) 8.143 10.335 ( 0.000 -15.683 9.596) 18.386 10.335 ( 0.000 15.683 9.596) 18.386 10.553 ( 0.000 -10.116 -0.223) 10.119 10.553 ( 0.000 10.116 -0.223) 10.119 10.705 ( 0.000 -2.803 0.109) 2.805 10.705 ( 0.000 2.803 0.109) 2.805 10.783 ( 0.000 -1.666 14.263) 14.360 10.783 ( 0.000 1.666 14.263) 14.360 11.057 ( 0.000 -3.442 11.938) 12.424 11.057 ( 0.000 3.442 11.938) 12.424 11.375 ( 0.000 -3.144 6.811) 7.501 11.375 ( 0.000 3.144 6.811) 7.501 11.628 ( 0.000 -2.050 3.464) 4.025 11.628 ( 0.000 2.050 3.464) 4.025 11.721 ( 0.000 -0.504 3.681) 3.716 11.721 ( 0.000 0.504 3.681) 3.716 12.378 ( 0.000 -2.440 -5.389) 5.916 12.378 ( 0.000 2.440 -5.389) 5.916 12.594 ( 0.000 -0.627 -8.851) 8.873 12.594 ( 0.000 0.627 -8.851) 8.873 12.923 ( 0.000 -0.447 -17.979) 17.984 12.923 ( 0.000 0.447 -17.979) 17.984 13.024 ( 0.000 -0.124 -18.617) 18.617 13.024 ( 0.000 0.124 -18.617) 18.617 13.290 ( 0.000 -1.304 -14.855) 14.912 13.290 ( 0.000 1.304 -14.855) 14.912 14.471 ( 0.000 -0.804 6.242) 6.293 14.471 ( 0.000 0.804 6.242) 6.293 14.945 ( 0.000 -0.696 -4.651) 4.703 14.945 ( 0.000 0.696 -4.651) 4.703 18.518 ( 0.000 -0.015 3.586) 3.586 18.518 ( 0.000 0.015 3.586) 3.586 18.813 ( 0.000 -6.333 5.696) 8.518 18.813 ( 0.000 6.333 5.696) 8.518 18.868 ( 0.000 -2.781 -2.672) 3.856 18.868 ( 0.000 2.781 -2.672) 3.856 19.258 ( 0.000 -5.516 -6.495) 8.521 19.258 ( 0.000 5.516 -6.495) 8.521 19.772 ( 0.000 -0.863 6.013) 6.074 19.772 ( 0.000 0.863 6.013) 6.074 20.291 ( 0.000 -1.245 -8.318) 8.411 20.291 ( 0.000 1.245 -8.318) 8.411 21.218 ( 0.000 -10.220 30.919) 32.564 21.218 ( 0.000 10.220 30.919) 32.564 21.485 ( 0.000 -4.785 7.323) 8.747 21.485 ( 0.000 4.785 7.323) 8.747 21.605 ( 0.000 -6.916 7.262) 10.028 21.605 ( 0.000 6.916 7.262) 10.028 21.670 ( 0.000 -3.411 7.379) 8.129 21.670 ( 0.000 3.411 7.379) 8.129 24.586 ( 0.000 -10.727 26.402) 28.498 24.586 ( 0.000 10.727 26.402) 28.498 24.966 ( 0.000 -6.521 35.588) 36.180 24.966 ( 0.000 6.521 35.588) 36.180 26.700 ( 0.000 -0.325 -24.438) 24.440 26.700 ( 0.000 0.325 -24.438) 24.440 27.149 ( 0.000 -0.255 -19.924) 19.926 27.149 ( 0.000 0.255 -19.924) 19.926 ======================= Grid point 62 (26/36) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 1.907 -9.576 14.465) 17.452 1.421 ( 1.907 9.576 14.465) 17.452 1.608 ( 13.806 -10.659 14.230) 22.510 1.608 ( 13.806 10.659 14.230) 22.510 2.058 ( -9.770 -3.895 8.697) 13.648 2.058 ( -9.770 3.895 8.697) 13.648 2.214 ( 1.353 -1.404 8.695) 8.911 2.214 ( 1.353 1.404 8.695) 8.911 2.359 ( 4.713 -4.311 -9.568) 11.504 2.359 ( 4.713 4.311 -9.568) 11.504 2.478 ( 1.541 -0.978 -9.825) 9.993 2.478 ( 1.541 0.978 -9.825) 9.993 2.652 ( 1.334 -2.554 10.693) 11.074 2.652 ( 1.334 2.554 10.693) 11.074 2.754 ( 1.511 -0.714 -3.191) 3.602 2.754 ( 1.511 0.714 -3.191) 3.602 2.843 ( 1.191 -3.549 -2.687) 4.608 2.843 ( 1.191 3.549 -2.687) 4.608 2.860 ( -0.142 -1.467 -5.070) 5.280 2.860 ( -0.142 1.467 -5.070) 5.280 2.941 ( 0.405 -1.891 -6.652) 6.928 2.941 ( 0.405 1.891 -6.652) 6.928 3.211 ( -3.050 -1.795 6.944) 7.794 3.211 ( -3.050 1.795 6.944) 7.794 3.286 ( 0.089 -9.296 19.362) 21.478 3.286 ( 0.089 9.296 19.362) 21.478 3.338 ( -2.921 -4.016 -1.533) 5.197 3.338 ( -2.921 4.016 -1.533) 5.197 3.552 ( -8.800 -4.497 4.716) 10.950 3.552 ( -8.800 4.497 4.716) 10.950 3.646 ( -9.895 -4.258 4.304) 11.600 3.646 ( -9.895 4.258 4.304) 11.600 3.739 ( -2.575 -7.350 11.815) 14.151 3.739 ( -2.575 7.350 11.815) 14.151 3.845 ( -0.343 -2.641 -0.134) 2.666 3.845 ( -0.343 2.641 -0.134) 2.666 3.906 ( -3.241 -7.217 3.784) 8.770 3.906 ( -3.241 7.217 3.784) 8.770 4.000 ( 1.980 -1.632 15.405) 15.618 4.000 ( 1.980 1.632 15.405) 15.618 4.082 ( 0.154 -3.575 9.445) 10.100 4.082 ( 0.154 3.575 9.445) 10.100 4.226 ( -7.482 -4.753 5.525) 10.445 4.226 ( -7.482 4.753 5.525) 10.445 4.293 ( -5.616 -4.328 3.107) 7.741 4.293 ( -5.616 4.328 3.107) 7.741 4.443 ( -9.231 -1.529 4.546) 10.403 4.443 ( -9.231 1.529 4.546) 10.403 4.520 ( 2.642 -3.631 1.542) 4.748 4.520 ( 2.642 3.631 1.542) 4.748 4.687 ( -1.505 -0.706 2.039) 2.631 4.687 ( -1.505 0.706 2.039) 2.631 4.761 ( -0.306 -0.013 3.945) 3.957 4.761 ( -0.306 0.013 3.945) 3.957 4.923 ( 3.520 -3.176 -2.227) 5.238 4.923 ( 3.520 3.176 -2.227) 5.238 5.017 ( 3.027 -2.388 -0.836) 3.945 5.017 ( 3.027 2.388 -0.836) 3.945 5.107 ( -1.633 -3.445 7.129) 8.084 5.107 ( -1.633 3.445 7.129) 8.084 5.164 ( 1.592 -1.223 -2.542) 3.239 5.164 ( 1.592 1.223 -2.542) 3.239 5.265 ( 0.120 -2.247 -5.447) 5.893 5.265 ( 0.120 2.247 -5.447) 5.893 5.391 ( 1.587 -0.638 -0.245) 1.728 5.391 ( 1.587 0.638 -0.245) 1.728 5.557 ( 4.555 -1.203 1.285) 4.883 5.557 ( 4.555 1.203 1.285) 4.883 5.693 ( 1.652 -1.338 1.948) 2.883 5.693 ( 1.652 1.338 1.948) 2.883 5.785 ( -1.492 -0.063 0.746) 1.670 5.785 ( -1.492 0.063 0.746) 1.670 5.830 ( -0.475 -1.241 -1.250) 1.824 5.830 ( -0.475 1.241 -1.250) 1.824 5.951 ( 1.698 -3.196 0.694) 3.685 5.951 ( 1.698 3.196 0.694) 3.685 6.047 ( 5.248 -2.028 9.642) 11.164 6.047 ( 5.248 2.028 9.642) 11.164 6.122 ( 0.871 -0.199 5.929) 5.996 6.122 ( 0.871 0.199 5.929) 5.996 6.374 ( 0.805 -1.975 -13.373) 13.542 6.374 ( 0.805 1.975 -13.373) 13.542 6.521 ( 6.866 -4.311 -5.059) 9.557 6.521 ( 6.866 4.311 -5.059) 9.557 6.842 ( 0.871 -8.528 -3.204) 9.152 6.842 ( 0.871 8.528 -3.204) 9.152 6.995 ( 3.732 -3.184 -3.838) 6.228 6.995 ( 3.732 3.184 -3.838) 6.228 7.041 ( 3.365 -1.487 -2.102) 4.237 7.041 ( 3.365 1.487 -2.102) 4.237 7.289 ( -1.971 -1.390 -4.440) 5.053 7.289 ( -1.971 1.390 -4.440) 5.053 7.448 ( 0.762 -2.759 -3.386) 4.433 7.448 ( 0.762 2.759 -3.386) 4.433 7.650 ( -0.325 -3.351 -0.136) 3.369 7.650 ( -0.325 3.351 -0.136) 3.369 7.864 ( 0.081 -1.927 -5.890) 6.198 7.864 ( 0.081 1.927 -5.890) 6.198 8.112 ( 1.393 -1.071 -6.556) 6.787 8.112 ( 1.393 1.071 -6.556) 6.787 8.277 ( 2.952 -5.914 -17.098) 18.331 8.277 ( 2.952 5.914 -17.098) 18.331 8.402 ( -0.889 -2.527 -17.840) 18.040 8.402 ( -0.889 2.527 -17.840) 18.040 8.841 ( 2.491 -2.646 -15.050) 15.482 8.841 ( 2.491 2.646 -15.050) 15.482 9.028 ( 0.507 -2.868 -12.809) 13.136 9.028 ( 0.507 2.868 -12.809) 13.136 9.285 ( 1.291 -2.450 -1.216) 3.025 9.285 ( 1.291 2.450 -1.216) 3.025 9.394 ( 1.285 -1.208 0.432) 1.816 9.394 ( 1.285 1.208 0.432) 1.816 9.501 ( 0.740 -4.387 -2.701) 5.204 9.501 ( 0.740 4.387 -2.701) 5.204 9.602 ( 0.211 -3.685 5.993) 7.038 9.602 ( 0.211 3.685 5.993) 7.038 9.887 ( -4.171 -5.632 0.438) 7.022 9.887 ( -4.171 5.632 0.438) 7.022 10.050 ( -3.126 -4.937 2.396) 6.315 10.050 ( -3.126 4.937 2.396) 6.315 10.253 ( -0.713 -5.855 11.445) 12.875 10.253 ( -0.713 5.855 11.445) 12.875 10.333 ( 1.265 -8.824 14.189) 16.757 10.333 ( 1.265 8.824 14.189) 16.757 10.621 ( 4.803 -7.705 1.990) 9.295 10.621 ( 4.803 7.705 1.990) 9.295 10.749 ( 3.780 -2.679 4.997) 6.814 10.749 ( 3.780 2.679 4.997) 6.814 10.805 ( 2.351 -4.276 3.523) 6.018 10.805 ( 2.351 4.276 3.523) 6.018 11.140 ( 6.953 -0.585 10.513) 12.618 11.140 ( 6.953 0.585 10.513) 12.618 11.365 ( -0.880 -3.153 6.556) 7.328 11.365 ( -0.880 3.153 6.556) 7.328 11.638 ( 0.716 -2.013 2.559) 3.333 11.638 ( 0.716 2.013 2.559) 3.333 11.711 ( -0.985 -1.017 4.329) 4.555 11.711 ( -0.985 1.017 4.329) 4.555 12.352 ( -2.434 -2.046 -6.680) 7.399 12.352 ( -2.434 2.046 -6.680) 7.399 12.526 ( -6.857 -3.233 -10.552) 12.993 12.526 ( -6.857 3.233 -10.552) 12.993 12.762 ( -12.105 -3.763 -6.188) 14.106 12.762 ( -12.105 3.763 -6.188) 14.106 12.996 ( -0.130 -2.529 -18.247) 18.422 12.996 ( -0.130 2.529 -18.247) 18.422 13.309 ( 1.471 -2.883 -17.517) 17.813 13.309 ( 1.471 2.883 -17.517) 17.813 14.715 ( 22.141 -0.299 8.585) 23.749 14.715 ( 22.141 0.299 8.585) 23.749 15.424 ( 40.920 -8.715 -16.086) 44.824 15.424 ( 40.920 8.715 -16.086) 44.824 17.937 ( -40.354 -3.211 7.380) 41.149 17.937 ( -40.354 3.211 7.380) 41.149 18.589 ( -23.166 -8.088 -13.646) 28.077 18.589 ( -23.166 8.088 -13.646) 28.077 19.075 ( 9.755 -4.152 4.714) 11.602 19.075 ( 9.755 4.152 4.714) 11.602 19.339 ( 5.620 -4.852 -3.806) 8.343 19.339 ( 5.620 4.852 -3.806) 8.343 19.851 ( 6.275 -0.780 5.172) 8.169 19.851 ( 6.275 0.780 5.172) 8.169 20.198 ( -7.246 -1.740 -1.003) 7.519 20.198 ( -7.246 1.740 -1.003) 7.519 21.262 ( 3.846 -8.625 26.100) 27.756 21.262 ( 3.846 8.625 26.100) 27.756 21.479 ( -0.670 -4.994 8.285) 9.697 21.479 ( -0.670 4.994 8.285) 9.697 21.585 ( -1.672 -4.553 7.053) 8.559 21.585 ( -1.672 4.553 7.053) 8.559 21.678 ( 0.503 -1.600 8.021) 8.195 21.678 ( 0.503 1.600 8.021) 8.195 24.644 ( 4.992 -10.696 27.838) 30.237 24.644 ( 4.992 10.696 27.838) 30.237 24.943 ( -2.050 -7.507 34.222) 35.096 24.943 ( -2.050 7.507 34.222) 35.096 26.750 ( 4.484 -0.295 -24.010) 24.427 26.750 ( 4.484 0.295 -24.010) 24.427 27.122 ( -2.578 -0.183 -20.246) 20.411 27.122 ( -2.578 0.183 -20.246) 20.411 ======================= Grid point 64 (27/36) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 4.646 -5.428 12.793) 14.653 1.493 ( 4.646 5.429 12.793) 14.653 1.784 ( -5.556 -1.774 9.174) 10.871 1.784 ( -5.556 1.774 9.174) 10.871 1.936 ( 6.298 -7.362 15.382) 18.179 1.936 ( 6.298 7.362 15.382) 18.179 2.244 ( -0.364 -0.763 12.008) 12.038 2.244 ( -0.364 0.763 12.008) 12.038 2.459 ( 4.623 -1.856 -10.840) 11.930 2.459 ( 4.623 1.856 -10.840) 11.930 2.558 ( 4.371 -1.978 -9.896) 10.998 2.558 ( 4.371 1.978 -9.896) 10.998 2.711 ( 6.307 -4.993 7.419) 10.943 2.711 ( 6.307 4.993 7.419) 10.943 2.770 ( 1.899 -0.928 -13.567) 13.731 2.770 ( 1.899 0.928 -13.567) 13.731 2.843 ( -0.604 -1.662 -3.310) 3.753 2.843 ( -0.604 1.662 -3.310) 3.753 2.878 ( -1.407 -1.343 -0.776) 2.094 2.878 ( -1.407 1.343 -0.776) 2.094 2.988 ( -3.951 -0.792 2.392) 4.686 2.988 ( -3.951 0.792 2.392) 4.686 3.039 ( -1.236 -1.533 -2.195) 2.948 3.039 ( -1.236 1.533 -2.195) 2.948 3.156 ( -14.928 -2.577 -1.724) 15.246 3.156 ( -14.928 2.577 -1.724) 15.246 3.259 ( -4.699 -3.040 4.286) 7.049 3.259 ( -4.699 3.040 4.286) 7.049 3.385 ( -1.505 -2.700 -1.685) 3.521 3.385 ( -1.505 2.700 -1.685) 3.521 3.559 ( 1.489 -4.784 16.432) 17.179 3.559 ( 1.489 4.784 16.432) 17.179 3.664 ( -4.750 -6.441 16.431) 18.276 3.664 ( -4.750 6.441 16.431) 18.276 3.833 ( -0.488 -2.707 -9.406) 9.800 3.833 ( -0.488 2.707 -9.406) 9.800 3.898 ( 0.978 -10.178 7.145) 12.473 3.898 ( 0.978 10.178 7.145) 12.473 4.028 ( 0.583 -3.538 17.254) 17.623 4.028 ( 0.583 3.538 17.254) 17.623 4.053 ( -0.846 -3.628 11.604) 12.187 4.053 ( -0.846 3.628 11.604) 12.187 4.125 ( -2.884 -3.951 23.914) 24.409 4.125 ( -2.884 3.951 23.914) 24.409 4.194 ( -3.766 -2.740 5.514) 7.218 4.194 ( -3.766 2.740 5.514) 7.218 4.321 ( -1.873 -1.347 1.575) 2.794 4.321 ( -1.873 1.347 1.575) 2.794 4.571 ( 1.428 -1.199 -1.062) 2.146 4.571 ( 1.428 1.199 -1.062) 2.146 4.681 ( 0.250 -0.282 -0.053) 0.380 4.681 ( 0.250 0.282 -0.053) 0.380 4.751 ( -0.478 -0.319 2.963) 3.018 4.751 ( -0.478 0.319 2.963) 3.018 4.968 ( 1.521 -2.657 1.134) 3.265 4.968 ( 1.521 2.657 1.134) 3.265 5.039 ( -0.060 -2.222 3.353) 4.023 5.039 ( -0.060 2.222 3.353) 4.023 5.068 ( -1.768 -0.403 6.621) 6.865 5.068 ( -1.768 0.403 6.621) 6.865 5.184 ( 0.265 -0.347 -7.742) 7.755 5.184 ( 0.265 0.347 -7.742) 7.755 5.300 ( 2.051 -0.754 -7.938) 8.234 5.300 ( 2.051 0.754 -7.938) 8.234 5.419 ( 0.772 -0.504 -0.725) 1.173 5.419 ( 0.772 0.504 -0.725) 1.173 5.607 ( 0.931 -0.694 -0.159) 1.172 5.607 ( 0.931 0.694 -0.159) 1.172 5.724 ( 0.405 -1.741 1.938) 2.636 5.724 ( 0.405 1.741 1.938) 2.636 5.772 ( 0.226 -0.263 0.754) 0.830 5.772 ( 0.226 0.263 0.754) 0.830 5.819 ( -0.211 -1.660 -1.025) 1.962 5.819 ( -0.211 1.660 -1.025) 1.962 5.982 ( 0.867 -1.398 -1.429) 2.179 5.982 ( 0.867 1.398 -1.429) 2.179 6.104 ( 0.405 -0.354 7.404) 7.424 6.104 ( 0.405 0.354 7.404) 7.424 6.178 ( 3.072 -0.220 8.480) 9.022 6.178 ( 3.072 0.220 8.480) 9.022 6.393 ( 0.730 -0.684 -15.383) 15.415 6.393 ( 0.730 0.684 -15.383) 15.415 6.595 ( 0.948 -1.677 -4.229) 4.647 6.595 ( 0.948 1.677 -4.229) 4.647 6.873 ( 1.286 -3.384 -1.585) 3.952 6.873 ( 1.286 3.384 -1.585) 3.952 7.079 ( 3.187 -2.211 -1.740) 4.251 7.079 ( 3.187 2.211 -1.740) 4.251 7.112 ( 3.179 -2.394 -6.771) 7.854 7.112 ( 3.179 2.394 -6.771) 7.854 7.230 ( -3.165 -1.222 -4.657) 5.762 7.230 ( -3.165 1.222 -4.657) 5.762 7.471 ( 1.038 -2.065 -2.591) 3.472 7.471 ( 1.038 2.065 -2.591) 3.472 7.637 ( -0.660 -2.019 -3.299) 3.923 7.637 ( -0.660 2.019 -3.299) 3.923 7.865 ( 0.030 -1.109 -2.871) 3.078 7.865 ( 0.030 1.109 -2.871) 3.078 8.141 ( 1.027 -0.355 -6.307) 6.400 8.141 ( 1.027 0.355 -6.307) 6.400 8.342 ( 2.806 -1.609 -15.979) 16.303 8.342 ( 2.806 1.609 -15.979) 16.303 8.380 ( -1.226 -1.540 -17.171) 17.284 8.380 ( -1.226 1.540 -17.171) 17.284 8.886 ( 1.486 -1.609 -12.712) 12.899 8.886 ( 1.486 1.609 -12.712) 12.899 9.036 ( 0.125 -1.746 -11.227) 11.363 9.036 ( 0.125 1.746 -11.227) 11.363 9.290 ( -0.351 -1.736 -5.310) 5.597 9.290 ( -0.351 1.736 -5.310) 5.597 9.409 ( 0.042 -0.647 -0.261) 0.699 9.409 ( 0.042 0.647 -0.261) 0.699 9.538 ( 2.326 -2.306 2.346) 4.029 9.538 ( 2.326 2.306 2.346) 4.029 9.636 ( 1.955 -1.237 5.998) 6.429 9.636 ( 1.955 1.237 5.998) 6.429 9.797 ( -3.307 -3.826 -0.993) 5.154 9.797 ( -3.307 3.826 -0.993) 5.154 9.970 ( -3.351 -3.119 -0.215) 4.583 9.970 ( -3.351 3.119 -0.215) 4.583 10.272 ( 1.889 -3.404 10.057) 10.785 10.272 ( 1.889 3.404 10.057) 10.785 10.346 ( -0.397 -2.604 22.630) 22.783 10.346 ( -0.397 2.604 22.630) 22.783 10.704 ( 2.605 -2.340 5.323) 6.371 10.704 ( 2.605 2.340 5.323) 6.371 10.815 ( 2.198 -2.366 9.068) 9.626 10.815 ( 2.198 2.366 9.068) 9.626 10.860 ( 1.878 -3.164 -7.373) 8.240 10.860 ( 1.878 3.164 -7.373) 8.240 11.282 ( 5.484 -2.128 8.625) 10.440 11.282 ( 5.484 2.128 8.625) 10.440 11.348 ( -0.617 -1.814 6.236) 6.523 11.348 ( -0.617 1.814 6.236) 6.523 11.648 ( 0.471 -1.910 1.230) 2.321 11.648 ( 0.471 1.910 1.230) 2.321 11.678 ( -2.216 -1.007 2.918) 3.799 11.678 ( -2.216 1.007 2.918) 3.799 12.300 ( -1.690 -0.790 -9.612) 9.791 12.300 ( -1.690 0.790 -9.612) 9.791 12.351 ( -6.905 -4.222 -4.494) 9.258 12.351 ( -6.905 4.222 -4.494) 9.258 12.623 ( -2.353 -0.675 -3.864) 4.574 12.623 ( -2.353 0.675 -3.864) 4.574 12.998 ( 0.081 -1.042 -15.071) 15.107 12.998 ( 0.081 1.042 -15.071) 15.107 13.332 ( 0.672 -1.423 -20.261) 20.322 13.332 ( 0.672 1.423 -20.261) 20.322 15.243 ( 23.310 -0.654 12.097) 26.270 15.243 ( 23.310 0.654 12.097) 26.270 16.276 ( 33.715 -11.025 -25.133) 43.474 16.276 ( 33.715 11.025 -25.133) 43.474 17.145 ( -30.258 -1.960 7.952) 31.347 17.145 ( -30.258 1.960 7.952) 31.347 18.034 ( -25.128 -8.707 -24.071) 35.869 18.034 ( -25.128 8.707 -24.071) 35.869 19.188 ( 2.323 -1.457 4.470) 5.244 19.188 ( 2.323 1.457 4.470) 5.244 19.431 ( 2.709 -1.876 -3.506) 4.811 19.431 ( 2.709 1.876 -3.506) 4.811 19.950 ( 2.262 -0.347 3.968) 4.580 19.950 ( 2.262 0.347 3.968) 4.580 20.084 ( -2.706 -0.748 7.774) 8.266 20.084 ( -2.706 0.748 7.774) 8.266 21.348 ( 3.915 -6.105 16.190) 17.740 21.348 ( 3.915 6.105 16.190) 17.740 21.451 ( -2.117 -5.245 14.864) 15.903 21.451 ( -2.117 5.245 14.864) 15.903 21.552 ( -1.089 -1.483 6.148) 6.417 21.552 ( -1.089 1.483 6.148) 6.417 21.684 ( 0.111 -0.436 8.738) 8.749 21.684 ( 0.111 0.436 8.738) 8.749 24.743 ( 3.583 -7.385 33.085) 34.088 24.743 ( 3.583 7.385 33.085) 34.088 24.898 ( -1.829 -6.286 28.977) 29.708 24.898 ( -1.829 6.286 28.977) 29.708 26.851 ( 4.308 -0.159 -23.163) 23.561 26.851 ( 4.308 0.159 -23.163) 23.561 27.056 ( -3.152 -0.030 -20.935) 21.171 27.056 ( -3.152 0.030 -20.935) 21.171 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 0.000 21.169) 21.169 1.600 ( 0.000 0.000 25.988) 25.988 1.834 ( 0.000 0.000 -16.614) 16.614 2.035 ( 0.000 0.000 -18.123) 18.123 2.195 ( 0.000 0.000 10.286) 10.286 2.272 ( 0.000 0.000 -0.910) 0.910 2.318 ( 0.000 0.000 16.573) 16.573 2.322 ( 0.000 0.000 -6.107) 6.107 2.337 ( 0.000 0.000 10.563) 10.563 2.385 ( 0.000 0.000 -7.859) 7.859 2.470 ( 0.000 0.000 -4.391) 4.391 2.489 ( 0.000 0.000 -0.073) 0.073 2.525 ( 0.000 0.000 17.113) 17.113 2.537 ( 0.000 0.000 0.103) 0.103 2.609 ( 0.000 0.000 -12.268) 12.268 2.638 ( 0.000 0.000 -0.653) 0.653 2.756 ( 0.000 0.000 -10.755) 10.755 2.844 ( 0.000 0.000 18.338) 18.338 2.851 ( 0.000 0.000 -15.368) 15.368 2.979 ( 0.000 0.000 6.388) 6.388 2.988 ( 0.000 0.000 2.665) 2.665 3.025 ( 0.000 0.000 -1.057) 1.057 3.090 ( 0.000 0.000 -4.849) 4.849 3.136 ( 0.000 0.000 1.975) 1.975 3.205 ( 0.000 0.000 -3.311) 3.311 3.235 ( 0.000 0.000 -20.218) 20.218 3.379 ( 0.000 0.000 9.557) 9.557 3.462 ( 0.000 0.000 -0.332) 0.332 3.565 ( 0.000 0.000 7.472) 7.472 3.637 ( 0.000 0.000 36.911) 36.911 3.698 ( 0.000 0.000 4.917) 4.917 3.722 ( 0.000 0.000 -7.392) 7.392 3.739 ( 0.000 0.000 2.250) 2.250 3.868 ( 0.000 0.000 3.051) 3.051 3.959 ( 0.000 0.000 -5.880) 5.880 3.962 ( 0.000 0.000 3.247) 3.247 4.007 ( 0.000 0.000 -1.929) 1.929 4.103 ( 0.000 0.000 2.421) 2.421 4.130 ( 0.000 0.000 -0.308) 0.308 4.254 ( 0.000 0.000 -20.879) 20.879 4.287 ( 0.000 0.000 10.463) 10.463 4.365 ( 0.000 0.000 -3.373) 3.373 4.372 ( 0.000 0.000 -0.833) 0.833 4.391 ( 0.000 0.000 2.700) 2.700 4.498 ( 0.000 0.000 -0.944) 0.944 4.534 ( 0.000 0.000 -6.887) 6.887 4.545 ( 0.000 0.000 11.129) 11.129 4.588 ( 0.000 0.000 6.401) 6.401 4.601 ( 0.000 0.000 -0.075) 0.075 4.687 ( 0.000 0.000 -3.838) 3.838 4.781 ( 0.000 0.000 12.482) 12.482 4.810 ( 0.000 0.000 1.319) 1.319 4.811 ( 0.000 0.000 1.539) 1.539 4.817 ( 0.000 0.000 0.489) 0.489 4.825 ( 0.000 0.000 0.307) 0.307 4.907 ( 0.000 0.000 0.222) 0.222 4.999 ( 0.000 0.000 28.176) 28.176 5.071 ( 0.000 0.000 -0.708) 0.708 5.092 ( 0.000 0.000 18.528) 18.528 5.166 ( 0.000 0.000 -11.142) 11.142 5.213 ( 0.000 0.000 0.113) 0.113 5.225 ( 0.000 0.000 -0.714) 0.714 5.341 ( 0.000 0.000 -0.806) 0.806 5.343 ( 0.000 0.000 -2.347) 2.347 5.353 ( 0.000 0.000 12.631) 12.631 5.409 ( 0.000 0.000 20.019) 20.019 5.485 ( 0.000 0.000 -1.914) 1.914 5.576 ( 0.000 0.000 -6.804) 6.804 5.678 ( 0.000 0.000 0.026) 0.026 5.714 ( 0.000 0.000 -2.896) 2.896 5.716 ( 0.000 0.000 -3.639) 3.639 5.727 ( 0.000 0.000 -4.111) 4.111 5.794 ( 0.000 0.000 -0.405) 0.405 5.797 ( 0.000 0.000 -0.478) 0.478 5.903 ( 0.000 0.000 9.020) 9.020 5.930 ( 0.000 0.000 -13.509) 13.509 6.046 ( 0.000 0.000 -4.313) 4.313 6.058 ( 0.000 0.000 -12.502) 12.502 6.184 ( 0.000 0.000 3.872) 3.872 6.196 ( 0.000 0.000 3.086) 3.086 6.211 ( 0.000 0.000 8.171) 8.171 6.266 ( 0.000 0.000 4.441) 4.441 6.300 ( 0.000 0.000 7.359) 7.359 6.388 ( 0.000 0.000 -6.201) 6.201 6.591 ( 0.000 0.000 8.546) 8.546 6.804 ( 0.000 0.000 -10.455) 10.455 6.813 ( 0.000 0.000 2.907) 2.907 7.041 ( 0.000 0.000 0.809) 0.809 7.042 ( 0.000 0.000 1.042) 1.042 7.062 ( 0.000 0.000 -11.749) 11.749 7.123 ( 0.000 0.000 -6.235) 6.235 7.185 ( 0.000 0.000 -6.533) 6.533 7.402 ( 0.000 0.000 3.779) 3.779 7.469 ( 0.000 0.000 -2.428) 2.428 7.608 ( 0.000 0.000 2.412) 2.412 7.680 ( 0.000 0.000 -6.123) 6.123 7.736 ( 0.000 0.000 -4.788) 4.788 7.739 ( 0.000 0.000 -4.756) 4.756 8.018 ( 0.000 0.000 -1.502) 1.502 8.020 ( 0.000 0.000 2.640) 2.640 8.095 ( 0.000 0.000 4.681) 4.681 8.099 ( 0.000 0.000 -5.047) 5.047 8.117 ( 0.000 0.000 -5.969) 5.969 8.351 ( 0.000 0.000 -18.045) 18.045 8.411 ( 0.000 0.000 -11.566) 11.566 8.486 ( 0.000 0.000 -18.673) 18.673 8.786 ( 0.000 0.000 -2.354) 2.354 8.869 ( 0.000 0.000 -10.324) 10.324 9.251 ( 0.000 0.000 3.040) 3.040 9.293 ( 0.000 0.000 4.591) 4.591 9.305 ( 0.000 0.000 0.108) 0.108 9.399 ( 0.000 0.000 3.441) 3.441 9.422 ( 0.000 0.000 -5.913) 5.913 9.486 ( 0.000 0.000 -1.933) 1.933 9.535 ( 0.000 0.000 -0.179) 0.179 9.658 ( 0.000 0.000 -9.255) 9.255 9.761 ( 0.000 0.000 6.681) 6.681 9.798 ( 0.000 0.000 0.985) 0.985 9.949 ( 0.000 0.000 -0.501) 0.501 10.004 ( 0.000 0.000 -5.494) 5.494 10.230 ( 0.000 0.000 8.376) 8.376 10.385 ( 0.000 0.000 -5.137) 5.137 10.401 ( 0.000 0.000 3.948) 3.948 10.420 ( 0.000 0.000 3.043) 3.043 10.518 ( 0.000 0.000 8.260) 8.260 10.698 ( 0.000 0.000 -8.144) 8.144 10.924 ( 0.000 0.000 7.348) 7.348 10.992 ( 0.000 0.000 1.743) 1.743 11.154 ( 0.000 0.000 9.033) 9.033 11.219 ( 0.000 0.000 15.850) 15.850 11.265 ( 0.000 0.000 -1.918) 1.918 11.342 ( 0.000 0.000 9.880) 9.880 11.431 ( 0.000 0.000 6.451) 6.451 11.468 ( 0.000 0.000 -3.284) 3.284 11.515 ( 0.000 0.000 -10.359) 10.359 11.576 ( 0.000 0.000 -6.267) 6.267 11.893 ( 0.000 0.000 20.772) 20.772 11.969 ( 0.000 0.000 13.506) 13.506 12.157 ( 0.000 0.000 -2.506) 2.506 12.355 ( 0.000 0.000 -5.510) 5.510 12.359 ( 0.000 0.000 -26.826) 26.826 12.380 ( 0.000 0.000 -5.035) 5.035 12.603 ( 0.000 0.000 2.673) 2.673 12.755 ( 0.000 0.000 -13.561) 13.561 12.762 ( 0.000 0.000 -2.740) 2.740 12.880 ( 0.000 0.000 -14.494) 14.494 12.930 ( 0.000 0.000 10.328) 10.328 13.133 ( 0.000 0.000 -10.775) 10.775 14.550 ( 0.000 0.000 3.997) 3.997 14.573 ( 0.000 0.000 1.968) 1.968 14.863 ( 0.000 0.000 -1.277) 1.277 14.881 ( 0.000 0.000 -2.836) 2.836 18.617 ( 0.000 0.000 4.228) 4.228 18.644 ( 0.000 0.000 2.006) 2.006 18.647 ( 0.000 0.000 3.089) 3.089 18.704 ( 0.000 0.000 -3.225) 3.225 18.890 ( 0.000 0.000 -2.443) 2.443 18.936 ( 0.000 0.000 -7.018) 7.018 19.227 ( 0.000 0.000 10.179) 10.179 19.371 ( 0.000 0.000 -4.824) 4.824 19.845 ( 0.000 0.000 5.427) 5.427 19.893 ( 0.000 0.000 2.597) 2.597 20.112 ( 0.000 0.000 -3.739) 3.739 20.177 ( 0.000 0.000 -8.085) 8.085 21.447 ( 0.000 0.000 9.478) 9.478 21.581 ( 0.000 0.000 -5.561) 5.561 21.582 ( 0.000 0.000 7.300) 7.300 21.597 ( 0.000 0.000 10.397) 10.397 21.691 ( 0.000 0.000 -0.894) 0.894 21.697 ( 0.000 0.000 -3.984) 3.984 21.805 ( 0.000 0.000 7.449) 7.449 21.863 ( 0.000 0.000 -1.318) 1.318 25.100 ( 0.000 0.000 46.316) 46.316 25.334 ( 0.000 0.000 27.841) 27.841 25.699 ( 0.000 0.000 40.285) 40.285 25.738 ( 0.000 0.000 33.021) 33.021 26.111 ( 0.000 0.000 -32.935) 32.935 26.169 ( 0.000 0.000 -31.264) 31.264 26.671 ( 0.000 0.000 -27.230) 27.230 26.689 ( 0.000 0.000 -27.749) 27.749 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 11.342 0.000 18.629) 21.810 1.650 ( 4.320 0.000 24.146) 24.530 1.921 ( 8.302 0.000 -15.547) 17.625 2.019 ( -2.426 0.000 -10.452) 10.730 2.147 ( -2.258 0.000 10.916) 11.147 2.155 ( -4.072 0.000 3.039) 5.081 2.270 ( -1.368 0.000 -7.562) 7.685 2.331 ( -1.222 0.000 2.011) 2.353 2.350 ( -1.117 0.000 13.162) 13.210 2.363 ( -6.728 0.000 -4.631) 8.168 2.509 ( -0.156 0.000 1.262) 1.271 2.518 ( 3.604 0.000 10.131) 10.753 2.586 ( -4.322 0.000 -4.202) 6.028 2.616 ( 4.954 0.000 -6.858) 8.460 2.627 ( 10.622 0.000 -2.325) 10.873 2.651 ( 3.899 0.000 -3.671) 5.355 2.726 ( 1.808 0.000 -9.573) 9.743 2.789 ( -2.538 0.000 -9.662) 9.990 2.903 ( 5.790 0.000 14.014) 15.163 2.980 ( -7.420 0.000 9.438) 12.005 3.035 ( 2.163 0.000 3.829) 4.398 3.054 ( 3.407 0.000 3.248) 4.707 3.136 ( 3.791 0.000 -2.200) 4.383 3.138 ( -1.078 0.000 -4.630) 4.754 3.175 ( 2.453 0.000 -4.393) 5.031 3.261 ( 2.584 0.000 -18.326) 18.507 3.336 ( -5.179 0.000 4.605) 6.930 3.403 ( -7.436 0.000 -1.574) 7.600 3.477 ( -4.966 0.000 5.030) 7.068 3.526 ( -12.662 0.000 -1.461) 12.746 3.573 ( -12.683 0.000 2.263) 12.883 3.607 ( -13.924 0.000 0.504) 13.933 3.694 ( 4.767 0.000 34.501) 34.828 3.696 ( -11.315 0.000 2.071) 11.503 3.790 ( -9.153 0.000 -6.805) 11.405 3.944 ( -18.709 0.000 7.607) 20.196 4.043 ( -10.012 0.000 -0.561) 10.028 4.068 ( -5.529 0.000 2.903) 6.245 4.121 ( 3.337 0.000 2.172) 3.982 4.189 ( 5.561 0.000 -1.230) 5.696 4.201 ( 4.499 0.000 -2.000) 4.923 4.298 ( 1.530 0.000 -22.177) 22.230 4.384 ( -1.058 0.000 4.411) 4.536 4.391 ( 0.366 0.000 1.934) 1.969 4.458 ( -7.082 0.000 4.116) 8.192 4.527 ( -2.158 0.000 6.237) 6.600 4.609 ( 2.822 0.000 1.157) 3.050 4.615 ( 1.829 0.000 -1.095) 2.132 4.640 ( 6.755 0.000 5.204) 8.527 4.701 ( 2.916 0.000 1.218) 3.160 4.788 ( 0.461 0.000 10.049) 10.060 4.801 ( -1.182 0.000 2.077) 2.389 4.803 ( -0.596 0.000 5.235) 5.269 4.808 ( -0.791 0.000 6.615) 6.662 4.897 ( -0.111 0.000 3.641) 3.643 4.918 ( -1.537 0.000 1.553) 2.185 4.993 ( 3.769 0.000 15.769) 16.213 5.086 ( 2.747 0.000 -0.225) 2.756 5.131 ( -2.662 0.000 -12.919) 13.190 5.174 ( -2.218 0.000 0.989) 2.428 5.175 ( -3.226 0.000 1.502) 3.559 5.205 ( 5.842 0.000 9.163) 10.867 5.305 ( -3.399 0.000 11.957) 12.430 5.345 ( 0.880 0.000 7.358) 7.410 5.386 ( 2.935 0.000 0.194) 2.941 5.450 ( 1.952 0.000 9.881) 10.072 5.517 ( 2.929 0.000 -1.435) 3.262 5.602 ( 2.276 0.000 -7.529) 7.866 5.665 ( 0.097 0.000 0.196) 0.219 5.687 ( -0.032 0.000 -3.517) 3.517 5.760 ( 1.589 0.000 -1.472) 2.166 5.788 ( -0.189 0.000 -0.205) 0.279 5.790 ( 0.156 0.000 -0.040) 0.161 5.798 ( 2.561 0.000 -4.066) 4.806 5.885 ( -1.538 0.000 7.206) 7.369 5.912 ( -1.923 0.000 -9.598) 9.788 6.031 ( -1.061 0.000 -6.848) 6.930 6.064 ( 0.216 0.000 -15.446) 15.447 6.195 ( 0.294 0.000 3.147) 3.160 6.198 ( 0.547 0.000 2.289) 2.353 6.253 ( 3.533 0.000 9.196) 9.851 6.314 ( 1.703 0.000 7.469) 7.661 6.368 ( 9.486 0.000 4.906) 10.679 6.500 ( 9.781 0.000 -6.420) 11.700 6.658 ( 4.569 0.000 7.222) 8.546 6.829 ( 2.527 0.000 -3.246) 4.114 6.867 ( 3.600 0.000 -4.865) 6.052 7.023 ( -0.589 0.000 -5.458) 5.490 7.037 ( -0.179 0.000 -0.706) 0.728 7.081 ( -1.308 0.000 -13.440) 13.503 7.128 ( 2.345 0.000 3.657) 4.344 7.206 ( 1.746 0.000 -5.058) 5.351 7.323 ( -5.189 0.000 3.433) 6.222 7.389 ( -5.801 0.000 -3.250) 6.649 7.691 ( 2.269 0.000 -2.079) 3.077 7.707 ( 4.938 0.000 -1.143) 5.069 7.772 ( 4.633 0.000 1.185) 4.782 7.884 ( 10.461 0.000 -8.476) 13.464 8.007 ( -0.302 0.000 -1.917) 1.940 8.024 ( 0.552 0.000 1.020) 1.160 8.067 ( -2.528 0.000 5.081) 5.675 8.107 ( 0.413 0.000 -4.231) 4.251 8.125 ( 0.213 0.000 -5.720) 5.724 8.323 ( -2.697 0.000 -16.712) 16.928 8.452 ( 3.545 0.000 -11.888) 12.405 8.521 ( 2.677 0.000 -18.417) 18.611 8.788 ( 0.560 0.000 -4.217) 4.254 8.855 ( -1.028 0.000 -10.470) 10.521 9.237 ( -0.910 0.000 2.112) 2.300 9.281 ( -1.386 0.000 -2.311) 2.695 9.327 ( 1.752 0.000 5.079) 5.373 9.382 ( -0.846 0.000 3.092) 3.205 9.417 ( -1.615 0.000 -2.567) 3.033 9.468 ( -1.304 0.000 -5.595) 5.745 9.517 ( -0.560 0.000 1.672) 1.763 9.612 ( -3.382 0.000 -6.760) 7.559 9.810 ( 4.399 0.000 9.049) 10.062 9.884 ( 6.990 0.000 0.763) 7.031 10.022 ( 6.260 0.000 -0.422) 6.274 10.067 ( 5.597 0.000 -5.716) 8.000 10.221 ( -1.042 0.000 7.416) 7.489 10.367 ( -2.115 0.000 -6.896) 7.213 10.407 ( 0.352 0.000 5.214) 5.226 10.424 ( 0.784 0.000 5.037) 5.097 10.621 ( 8.044 0.000 6.983) 10.652 10.760 ( 5.140 0.000 -6.536) 8.315 10.908 ( -1.418 0.000 6.488) 6.641 10.970 ( -1.943 0.000 1.292) 2.333 11.168 ( -1.811 0.000 12.756) 12.884 11.179 ( -3.247 0.000 12.418) 12.835 11.284 ( 0.952 0.000 7.438) 7.499 11.314 ( 4.633 0.000 1.454) 4.856 11.444 ( -0.110 0.000 1.854) 1.857 11.448 ( -0.409 0.000 -4.074) 4.094 11.564 ( 3.592 0.000 -3.592) 5.080 11.618 ( 2.847 0.000 -3.704) 4.672 11.791 ( -5.464 0.000 13.414) 14.485 12.090 ( 5.738 0.000 13.272) 14.459 12.091 ( -5.227 0.000 -9.702) 11.021 12.155 ( -11.132 0.000 -5.757) 12.532 12.325 ( -4.250 0.000 -1.389) 4.471 12.550 ( 7.829 0.000 -15.802) 17.635 12.592 ( -0.701 0.000 2.344) 2.446 12.668 ( -5.468 0.000 -2.210) 5.898 12.790 ( 1.354 0.000 -12.462) 12.535 12.803 ( -8.354 0.000 10.774) 13.633 12.844 ( -2.746 0.000 -12.865) 13.154 13.072 ( -4.977 0.000 -15.481) 16.261 14.856 ( 23.764 0.000 5.609) 24.417 14.865 ( 28.196 0.000 6.005) 28.828 15.144 ( 25.185 0.000 -1.475) 25.228 15.275 ( 37.182 0.000 -15.127) 40.141 17.981 ( -38.488 0.000 7.581) 39.228 18.122 ( -35.565 0.000 -4.943) 35.907 18.295 ( -36.134 0.000 7.416) 36.887 18.536 ( -29.202 0.000 -15.660) 33.136 19.040 ( 11.636 0.000 2.971) 12.009 19.097 ( 11.560 0.000 -2.979) 11.938 19.334 ( 3.749 0.000 6.507) 7.510 19.433 ( 2.392 0.000 -3.597) 4.320 19.917 ( 5.709 0.000 3.990) 6.965 19.950 ( 4.491 0.000 1.523) 4.742 20.130 ( 1.412 0.000 -0.909) 1.679 20.168 ( -0.690 0.000 -4.068) 4.126 21.461 ( 1.219 0.000 8.291) 8.380 21.564 ( -1.540 0.000 6.722) 6.896 21.589 ( 0.626 0.000 -4.701) 4.742 21.620 ( 2.112 0.000 10.156) 10.373 21.682 ( -1.411 0.000 -4.365) 4.587 21.707 ( 1.362 0.000 -0.603) 1.489 21.792 ( -1.203 0.000 7.305) 7.403 21.845 ( -1.593 0.000 -0.539) 1.682 25.171 ( 6.531 0.000 46.030) 46.491 25.398 ( 5.754 0.000 27.759) 28.349 25.644 ( -5.122 0.000 42.015) 42.326 25.717 ( -2.103 0.000 32.227) 32.296 26.172 ( 5.554 0.000 -32.400) 32.873 26.225 ( 5.085 0.000 -30.820) 31.236 26.640 ( -2.959 0.000 -27.729) 27.887 26.648 ( -3.823 0.000 -28.364) 28.620 ======================= Grid point 77 (30/36) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.642 0.000 18.684) 19.830 1.857 ( 9.079 0.000 15.304) 17.794 1.938 ( -2.520 0.000 5.549) 6.095 2.083 ( -5.204 0.000 9.810) 11.105 2.126 ( 2.084 0.000 12.277) 12.453 2.140 ( 9.921 0.000 -10.879) 14.724 2.253 ( -3.917 0.000 10.628) 11.326 2.268 ( 0.904 0.000 -11.605) 11.640 2.310 ( 1.572 0.000 -8.298) 8.445 2.328 ( -3.427 0.000 -8.796) 9.440 2.439 ( -3.301 0.000 -15.682) 16.026 2.530 ( -4.624 0.000 -12.820) 13.628 2.583 ( 1.373 0.000 9.415) 9.514 2.628 ( 4.830 0.000 8.974) 10.192 2.755 ( -5.292 0.000 5.043) 7.310 2.768 ( 3.541 0.000 -4.116) 5.430 2.804 ( 7.651 0.000 -7.166) 10.483 2.860 ( -7.505 0.000 -4.049) 8.527 2.895 ( 10.500 0.000 -0.125) 10.501 2.918 ( 5.346 0.000 -2.836) 6.052 3.054 ( 5.916 0.000 9.188) 10.928 3.096 ( -3.463 0.000 3.610) 5.003 3.122 ( -8.308 0.000 3.268) 8.927 3.164 ( -8.209 0.000 -0.895) 8.258 3.168 ( -2.319 0.000 1.264) 2.641 3.220 ( -6.770 0.000 0.893) 6.828 3.221 ( -10.611 0.000 -0.882) 10.647 3.276 ( -4.418 0.000 -2.831) 5.248 3.327 ( 0.587 0.000 -6.440) 6.467 3.347 ( 2.831 0.000 -3.564) 4.552 3.386 ( -1.540 0.000 0.192) 1.552 3.420 ( -0.032 0.000 -4.089) 4.089 3.492 ( -5.040 0.000 3.586) 6.186 3.595 ( -10.064 0.000 -0.538) 10.078 3.678 ( -5.549 0.000 -0.424) 5.565 3.734 ( -10.834 0.000 -2.320) 11.080 3.857 ( 9.430 0.000 28.928) 30.427 4.042 ( -6.234 0.000 17.750) 18.813 4.181 ( 2.371 0.000 3.221) 3.999 4.248 ( -4.941 0.000 3.309) 5.947 4.268 ( 2.008 0.000 -2.673) 3.343 4.274 ( 0.168 0.000 0.253) 0.304 4.357 ( 3.666 0.000 -14.227) 14.692 4.400 ( 0.295 0.000 2.552) 2.569 4.412 ( 0.445 0.000 0.097) 0.455 4.454 ( -4.298 0.000 -6.027) 7.402 4.681 ( 3.841 0.000 1.539) 4.138 4.682 ( 4.042 0.000 5.492) 6.819 4.744 ( 2.972 0.000 2.885) 4.142 4.757 ( 0.786 0.000 1.163) 1.403 4.764 ( -2.177 0.000 7.382) 7.696 4.778 ( -1.932 0.000 12.667) 12.814 4.794 ( 0.018 0.000 5.351) 5.351 4.794 ( -0.343 0.000 2.376) 2.400 4.870 ( -0.362 0.000 6.683) 6.692 4.892 ( -1.050 0.000 10.611) 10.663 5.063 ( 2.422 0.000 4.644) 5.238 5.089 ( -1.060 0.000 -12.235) 12.281 5.115 ( -1.956 0.000 2.913) 3.509 5.117 ( -1.946 0.000 1.560) 2.494 5.154 ( 3.212 0.000 -2.239) 3.916 5.226 ( -3.995 0.000 9.302) 10.124 5.312 ( 3.623 0.000 8.669) 9.396 5.355 ( -0.576 0.000 9.466) 9.484 5.441 ( 1.888 0.000 -1.607) 2.479 5.461 ( -0.363 0.000 0.302) 0.472 5.580 ( 2.774 0.000 1.936) 3.383 5.620 ( -0.979 0.000 0.502) 1.101 5.714 ( 2.308 0.000 -0.803) 2.444 5.714 ( 4.518 0.000 -5.071) 6.792 5.757 ( -1.341 0.000 1.175) 1.783 5.781 ( -0.584 0.000 -1.244) 1.374 5.783 ( -0.560 0.000 0.455) 0.722 5.805 ( -2.907 0.000 -4.531) 5.383 5.866 ( -0.082 0.000 1.285) 1.287 5.873 ( -0.868 0.000 -1.652) 1.866 6.031 ( 0.919 0.000 -13.686) 13.716 6.054 ( -1.075 0.000 -16.149) 16.185 6.200 ( 0.149 0.000 2.749) 2.753 6.202 ( 0.001 0.000 2.440) 2.440 6.324 ( 2.549 0.000 7.989) 8.385 6.342 ( 0.621 0.000 7.194) 7.221 6.575 ( 8.651 0.000 5.619) 10.316 6.666 ( 0.983 0.000 3.035) 3.190 6.755 ( 8.281 0.000 -3.173) 8.868 6.879 ( -0.970 0.000 -9.012) 9.064 6.918 ( 3.669 0.000 -1.934) 4.147 7.014 ( -0.410 0.000 -8.275) 8.286 7.020 ( -4.587 0.000 -5.508) 7.168 7.023 ( -1.308 0.000 -3.201) 3.458 7.186 ( 2.714 0.000 3.124) 4.138 7.238 ( -2.766 0.000 3.129) 4.176 7.244 ( 1.719 0.000 -2.981) 3.441 7.292 ( -3.327 0.000 -2.465) 4.140 7.736 ( 1.589 0.000 -2.809) 3.228 7.748 ( 0.450 0.000 -3.923) 3.949 7.898 ( 5.671 0.000 7.561) 9.452 7.996 ( -4.175 0.000 8.044) 9.063 8.028 ( 2.068 0.000 -2.048) 2.910 8.042 ( 1.176 0.000 -4.036) 4.204 8.093 ( 7.577 0.000 -9.748) 12.346 8.108 ( 0.970 0.000 -4.302) 4.410 8.114 ( -1.130 0.000 -6.152) 6.255 8.242 ( -5.465 0.000 -13.828) 14.869 8.526 ( 3.107 0.000 -12.954) 13.322 8.557 ( 0.266 0.000 -15.556) 15.558 8.813 ( 1.605 0.000 -8.234) 8.389 8.838 ( -0.812 0.000 -10.327) 10.359 9.240 ( 1.545 0.000 1.203) 1.958 9.278 ( 0.384 0.000 -2.143) 2.177 9.305 ( -1.700 0.000 0.533) 1.782 9.353 ( -3.882 0.000 -3.410) 5.167 9.403 ( 1.725 0.000 3.523) 3.922 9.436 ( -1.677 0.000 1.309) 2.128 9.528 ( 0.992 0.000 -2.074) 2.298 9.555 ( -1.997 0.000 -3.468) 4.002 9.921 ( 6.028 0.000 10.392) 12.014 9.994 ( 1.159 0.000 4.886) 5.022 10.159 ( 5.838 0.000 0.702) 5.880 10.186 ( 3.903 0.000 -2.541) 4.658 10.208 ( 1.947 0.000 -0.184) 1.955 10.296 ( -4.759 0.000 -6.866) 8.354 10.404 ( -0.356 0.000 5.508) 5.519 10.423 ( -1.344 0.000 3.926) 4.150 10.768 ( 5.637 0.000 7.183) 9.131 10.841 ( 0.068 0.000 1.971) 1.972 10.881 ( 0.582 0.000 2.083) 2.163 10.925 ( -2.360 0.000 1.278) 2.683 11.098 ( -1.838 0.000 14.355) 14.472 11.113 ( -2.657 0.000 10.677) 11.002 11.398 ( 1.797 0.000 2.117) 2.776 11.411 ( 3.072 0.000 2.843) 4.186 11.453 ( 6.309 0.000 6.986) 9.413 11.528 ( 7.417 0.000 4.410) 8.629 11.630 ( 2.716 0.000 0.842) 2.843 11.651 ( -0.102 0.000 0.590) 0.599 11.702 ( -1.940 0.000 1.217) 2.290 11.884 ( -14.830 0.000 -4.984) 15.645 12.006 ( -2.023 0.000 -15.639) 15.770 12.053 ( -6.401 0.000 -13.372) 14.825 12.365 ( 7.646 0.000 20.010) 21.421 12.539 ( -8.458 0.000 16.900) 18.899 12.584 ( -0.096 0.000 1.431) 1.434 12.595 ( -1.494 0.000 -0.589) 1.606 12.748 ( 2.667 0.000 -7.130) 7.613 12.795 ( -2.072 0.000 -9.268) 9.497 12.848 ( 4.550 0.000 -21.689) 22.161 12.960 ( -5.854 0.000 -21.686) 22.462 15.430 ( 27.690 0.000 10.342) 29.558 15.499 ( 25.836 0.000 8.837) 27.306 15.782 ( 31.810 0.000 -4.352) 32.106 16.004 ( 21.197 0.000 -22.665) 31.032 17.254 ( -23.935 0.000 10.214) 26.024 17.410 ( -30.042 0.000 6.714) 30.783 17.555 ( -23.601 0.000 -7.700) 24.825 17.828 ( -35.847 0.000 -23.459) 42.841 19.224 ( 6.905 0.000 3.797) 7.880 19.285 ( 5.960 0.000 -1.816) 6.230 19.341 ( -1.088 0.000 3.407) 3.576 19.419 ( -3.567 0.000 -3.827) 5.232 20.015 ( 2.949 0.000 2.033) 3.582 20.022 ( 1.954 0.000 1.362) 2.382 20.153 ( 0.626 0.000 1.680) 1.793 20.158 ( -0.199 0.000 1.145) 1.162 21.491 ( 1.677 0.000 7.076) 7.272 21.527 ( -1.905 0.000 6.920) 7.177 21.609 ( 1.341 0.000 -4.046) 4.262 21.642 ( -1.663 0.000 -1.655) 2.346 21.679 ( 2.765 0.000 5.470) 6.129 21.726 ( -0.762 0.000 2.858) 2.958 21.772 ( 0.374 0.000 4.186) 4.203 21.806 ( -2.128 0.000 0.747) 2.255 25.332 ( 8.671 0.000 45.393) 46.214 25.495 ( -4.921 0.000 39.706) 40.010 25.546 ( 3.689 0.000 33.228) 33.432 25.652 ( -4.435 0.000 30.454) 30.776 26.303 ( 6.186 0.000 -31.111) 31.720 26.335 ( 4.045 0.000 -30.085) 30.356 26.556 ( -4.001 0.000 -29.497) 29.767 26.564 ( -3.890 0.000 -28.838) 29.099 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 6.482 19.813) 20.846 1.624 ( 0.000 2.711 24.619) 24.768 1.864 ( 0.000 1.244 -10.552) 10.625 1.995 ( 0.000 -11.277 3.078) 11.690 2.040 ( 0.000 -8.746 6.430) 10.855 2.070 ( 0.000 -1.933 -12.945) 13.088 2.201 ( 0.000 -6.620 -9.999) 11.992 2.238 ( 0.000 -8.963 -10.482) 13.792 2.386 ( 0.000 0.504 10.254) 10.266 2.415 ( 0.000 2.101 7.554) 7.841 2.431 ( 0.000 -2.147 14.467) 14.626 2.499 ( 0.000 0.270 5.310) 5.316 2.574 ( 0.000 4.003 -6.914) 7.989 2.614 ( 0.000 2.048 -4.771) 5.192 2.651 ( 0.000 1.817 -6.792) 7.031 2.695 ( 0.000 2.943 0.185) 2.949 2.753 ( 0.000 -0.664 -7.305) 7.335 2.791 ( 0.000 -5.331 -11.795) 12.944 2.828 ( 0.000 -1.869 2.775) 3.346 2.856 ( 0.000 1.389 12.615) 12.691 2.911 ( 0.000 -1.815 1.652) 2.454 3.069 ( 0.000 -2.173 4.682) 5.162 3.181 ( 0.000 -0.536 -5.617) 5.643 3.199 ( 0.000 -0.665 -13.401) 13.418 3.303 ( 0.000 7.804 2.154) 8.095 3.356 ( 0.000 12.247 -1.384) 12.325 3.402 ( 0.000 3.232 8.179) 8.794 3.526 ( 0.000 1.387 1.219) 1.847 3.540 ( 0.000 7.332 -1.025) 7.403 3.658 ( 0.000 -0.291 -3.889) 3.900 3.683 ( 0.000 4.907 26.506) 26.957 3.830 ( 0.000 7.222 9.051) 11.580 3.845 ( 0.000 4.877 2.105) 5.312 3.930 ( 0.000 -1.973 4.071) 4.524 3.947 ( 0.000 3.968 3.073) 5.019 3.984 ( 0.000 -0.279 -0.342) 0.442 3.995 ( 0.000 3.342 -3.734) 5.011 4.077 ( 0.000 -2.628 1.320) 2.940 4.143 ( 0.000 0.919 0.608) 1.102 4.174 ( 0.000 -7.615 9.427) 12.118 4.274 ( 0.000 -9.925 1.701) 10.069 4.328 ( 0.000 3.588 -15.404) 15.817 4.351 ( 0.000 -6.022 5.379) 8.074 4.396 ( 0.000 -1.662 4.557) 4.851 4.416 ( 0.000 -2.083 0.933) 2.282 4.426 ( 0.000 -3.438 0.572) 3.485 4.476 ( 0.000 -2.206 -2.537) 3.362 4.534 ( 0.000 -3.009 -8.168) 8.705 4.664 ( 0.000 -2.333 7.716) 8.061 4.677 ( 0.000 -2.953 2.521) 3.883 4.733 ( 0.000 -0.586 2.230) 2.306 4.787 ( 0.000 -0.721 0.476) 0.863 4.802 ( 0.000 0.566 2.101) 2.176 4.835 ( 0.000 0.213 1.200) 1.219 4.848 ( 0.000 0.276 -0.511) 0.581 4.902 ( 0.000 -0.627 -2.405) 2.486 4.994 ( 0.000 1.152 25.273) 25.299 5.059 ( 0.000 -1.787 14.679) 14.787 5.086 ( 0.000 0.820 2.542) 2.672 5.124 ( 0.000 -3.235 -7.990) 8.620 5.208 ( 0.000 -0.650 -0.054) 0.652 5.214 ( 0.000 -0.583 -1.123) 1.265 5.316 ( 0.000 -0.789 2.665) 2.779 5.317 ( 0.000 -0.927 3.874) 3.983 5.419 ( 0.000 2.927 4.084) 5.025 5.450 ( 0.000 1.678 9.616) 9.761 5.516 ( 0.000 3.084 4.997) 5.872 5.591 ( 0.000 0.802 -8.734) 8.771 5.664 ( 0.000 -0.866 3.096) 3.215 5.674 ( 0.000 -1.742 -3.453) 3.868 5.721 ( 0.000 -0.123 0.605) 0.617 5.739 ( 0.000 0.210 -2.622) 2.631 5.810 ( 0.000 1.419 0.007) 1.419 5.813 ( 0.000 1.398 -0.135) 1.404 5.919 ( 0.000 1.667 5.179) 5.440 5.997 ( 0.000 4.714 -13.552) 14.348 6.025 ( 0.000 -1.630 -4.929) 5.191 6.080 ( 0.000 0.958 -11.124) 11.165 6.185 ( 0.000 0.452 5.086) 5.106 6.198 ( 0.000 0.079 3.026) 3.027 6.216 ( 0.000 0.252 5.537) 5.542 6.256 ( 0.000 -2.057 7.885) 8.149 6.328 ( 0.000 5.136 6.668) 8.417 6.483 ( 0.000 4.020 -4.806) 6.265 6.590 ( 0.000 1.759 5.859) 6.117 6.795 ( 0.000 -1.257 -10.869) 10.941 6.827 ( 0.000 1.321 0.882) 1.588 6.944 ( 0.000 -5.138 -5.573) 7.580 7.034 ( 0.000 -0.378 2.267) 2.299 7.087 ( 0.000 -1.001 2.862) 3.032 7.145 ( 0.000 1.854 -10.821) 10.978 7.189 ( 0.000 0.041 -6.762) 6.762 7.401 ( 0.000 -0.137 2.254) 2.258 7.445 ( 0.000 -1.988 -1.877) 2.734 7.622 ( 0.000 1.401 1.571) 2.105 7.671 ( 0.000 -0.403 -4.847) 4.864 7.749 ( 0.000 1.195 -3.200) 3.416 7.786 ( 0.000 3.842 -5.939) 7.073 7.939 ( 0.000 -6.124 5.376) 8.149 8.018 ( 0.000 0.071 -1.323) 1.325 8.055 ( 0.000 -1.386 -3.132) 3.425 8.069 ( 0.000 -3.301 -7.925) 8.585 8.140 ( 0.000 0.454 -3.983) 4.009 8.243 ( 0.000 -6.976 -13.452) 15.153 8.429 ( 0.000 0.964 -13.297) 13.331 8.476 ( 0.000 -0.898 -17.922) 17.944 8.792 ( 0.000 0.689 -3.726) 3.789 8.850 ( 0.000 -1.559 -9.128) 9.260 9.267 ( 0.000 1.418 2.821) 3.157 9.315 ( 0.000 1.176 -1.003) 1.546 9.344 ( 0.000 1.493 3.957) 4.230 9.405 ( 0.000 2.477 3.836) 4.566 9.428 ( 0.000 -1.222 -2.214) 2.529 9.495 ( 0.000 0.676 -4.734) 4.782 9.546 ( 0.000 2.172 1.746) 2.787 9.647 ( 0.000 -0.935 -6.847) 6.910 9.866 ( 0.000 5.464 2.362) 5.953 9.889 ( 0.000 9.437 1.948) 9.636 10.014 ( 0.000 4.449 1.785) 4.794 10.103 ( 0.000 6.399 -6.048) 8.804 10.214 ( 0.000 0.931 6.470) 6.536 10.302 ( 0.000 -1.863 -1.413) 2.338 10.439 ( 0.000 1.727 4.896) 5.192 10.462 ( 0.000 0.122 7.782) 7.783 10.520 ( 0.000 2.143 -1.119) 2.418 10.649 ( 0.000 -4.369 -7.163) 8.390 10.831 ( 0.000 -9.834 3.232) 10.351 10.859 ( 0.000 -10.956 -0.151) 10.957 11.159 ( 0.000 -1.227 18.449) 18.490 11.189 ( 0.000 -4.638 7.485) 8.806 11.198 ( 0.000 1.400 6.710) 6.854 11.325 ( 0.000 -4.582 3.757) 5.925 11.400 ( 0.000 3.370 5.263) 6.249 11.484 ( 0.000 0.447 -4.351) 4.374 11.598 ( 0.000 2.792 -0.747) 2.890 11.603 ( 0.000 1.833 -2.613) 3.192 11.885 ( 0.000 0.432 18.428) 18.433 11.956 ( 0.000 -1.176 13.687) 13.737 12.195 ( 0.000 2.346 -6.908) 7.296 12.289 ( 0.000 -3.321 -16.145) 16.483 12.372 ( 0.000 1.596 -5.590) 5.814 12.430 ( 0.000 1.098 -11.877) 11.927 12.587 ( 0.000 0.017 -2.138) 2.138 12.704 ( 0.000 -3.578 -13.784) 14.241 12.808 ( 0.000 3.171 -1.297) 3.426 12.893 ( 0.000 -0.310 0.550) 0.632 12.959 ( 0.000 3.084 -6.212) 6.935 13.104 ( 0.000 -2.591 -11.017) 11.317 14.555 ( 0.000 0.395 3.736) 3.757 14.571 ( 0.000 -0.202 2.305) 2.314 14.867 ( 0.000 0.345 -1.655) 1.690 14.880 ( 0.000 -0.128 -2.795) 2.798 18.594 ( 0.000 -1.340 2.852) 3.151 18.600 ( 0.000 -1.087 2.962) 3.155 18.737 ( 0.000 2.249 -1.849) 2.912 18.741 ( 0.000 4.586 0.287) 4.595 18.885 ( 0.000 0.405 0.924) 1.008 18.975 ( 0.000 3.761 -7.209) 8.131 19.153 ( 0.000 -6.156 8.946) 10.859 19.294 ( 0.000 -6.629 -5.781) 8.795 19.860 ( 0.000 1.168 5.358) 5.484 19.893 ( 0.000 -0.112 3.528) 3.530 20.121 ( 0.000 0.778 -4.369) 4.438 20.167 ( 0.000 -0.903 -7.433) 7.488 21.474 ( 0.000 2.404 9.370) 9.673 21.578 ( 0.000 -0.384 -2.066) 2.101 21.579 ( 0.000 -0.211 5.949) 5.952 21.631 ( 0.000 3.117 8.312) 8.877 21.636 ( 0.000 -3.830 0.925) 3.940 21.720 ( 0.000 1.204 -2.817) 3.064 21.793 ( 0.000 -1.125 5.643) 5.754 21.822 ( 0.000 -3.499 1.209) 3.701 25.140 ( 0.000 3.446 42.999) 43.137 25.303 ( 0.000 -2.772 30.288) 30.415 25.699 ( 0.000 0.142 39.658) 39.658 25.729 ( 0.000 -0.795 34.207) 34.216 26.120 ( 0.000 0.755 -32.802) 32.811 26.160 ( 0.000 -0.747 -31.601) 31.610 26.670 ( 0.000 -0.072 -27.519) 27.519 26.682 ( 0.000 -0.530 -27.920) 27.925 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 8.508 4.127 18.828) 21.069 1.672 ( 5.058 3.218 21.737) 22.548 1.929 ( 5.004 -3.315 -0.987) 6.083 1.993 ( 2.183 -1.647 -6.363) 6.926 2.062 ( 1.620 -4.708 3.260) 5.951 2.082 ( 0.498 -1.915 -2.585) 3.256 2.197 ( 1.431 -5.124 -9.329) 10.739 2.275 ( 3.241 -5.573 -8.686) 10.817 2.321 ( -6.388 -2.252 4.901) 8.361 2.364 ( -4.410 -1.571 8.481) 9.688 2.470 ( 3.618 -1.155 10.760) 11.411 2.530 ( 4.346 -2.929 6.541) 8.382 2.553 ( -5.878 -1.012 -8.439) 10.333 2.580 ( -1.425 -0.927 -9.676) 9.824 2.668 ( 2.494 2.734 -2.844) 4.667 2.705 ( -0.194 -1.685 -8.703) 8.866 2.718 ( -1.428 5.521 -1.689) 5.947 2.782 ( 1.516 1.964 -4.923) 5.513 2.894 ( 5.652 -0.004 8.053) 9.838 2.905 ( 4.772 -2.714 6.631) 8.608 2.975 ( 2.971 -4.392 2.185) 5.734 3.058 ( -1.019 -4.402 3.319) 5.607 3.163 ( -2.221 1.067 -5.744) 6.250 3.211 ( 0.834 -1.714 -11.054) 11.218 3.263 ( -4.640 7.927 5.440) 10.675 3.300 ( -7.742 -0.876 2.811) 8.283 3.377 ( -1.986 7.684 -3.120) 8.528 3.432 ( -12.336 3.592 -7.793) 15.027 3.491 ( -2.156 4.027 3.954) 6.041 3.572 ( -3.596 6.952 -2.104) 8.105 3.632 ( -9.485 1.389 9.366) 13.402 3.710 ( -10.634 6.253 3.405) 12.798 3.725 ( -14.531 6.866 1.425) 16.134 3.783 ( -9.523 -0.454 -4.263) 10.444 3.799 ( -1.381 5.087 20.483) 21.150 3.915 ( -7.129 1.050 11.721) 13.759 4.016 ( -7.069 -0.743 -3.257) 7.819 4.122 ( 3.468 -0.792 4.232) 5.529 4.142 ( -1.083 2.478 5.616) 6.233 4.193 ( 3.527 1.005 -2.147) 4.250 4.232 ( -1.312 1.877 -1.408) 2.688 4.276 ( 1.362 -7.920 -0.644) 8.062 4.328 ( 0.470 -2.395 -8.840) 9.171 4.354 ( -2.830 -8.701 4.965) 10.410 4.404 ( 1.125 0.628 0.454) 1.366 4.442 ( 0.605 -3.600 4.754) 5.994 4.546 ( 2.317 -0.888 5.121) 5.690 4.605 ( 3.684 -2.688 1.703) 4.868 4.619 ( -2.003 -1.709 1.653) 3.108 4.685 ( 0.397 -5.089 8.809) 10.181 4.749 ( -0.004 -2.019 1.809) 2.711 4.787 ( 0.365 -1.578 3.500) 3.857 4.799 ( -0.727 0.101 2.215) 2.333 4.814 ( -0.279 1.175 1.435) 1.875 4.821 ( -4.789 -3.531 -0.043) 5.950 4.926 ( -0.750 -0.097 4.626) 4.687 4.973 ( 3.194 -0.969 5.904) 6.782 5.059 ( -2.202 -5.062 -10.361) 11.740 5.123 ( 1.069 0.365 4.293) 4.439 5.145 ( 3.177 0.092 6.205) 6.972 5.182 ( -2.140 0.519 -0.532) 2.265 5.206 ( 1.155 -0.563 3.236) 3.482 5.332 ( 1.586 0.708 6.222) 6.460 5.352 ( 0.552 1.047 7.182) 7.279 5.414 ( -0.060 2.019 4.638) 5.058 5.449 ( 0.005 -0.043 9.631) 9.631 5.543 ( 2.641 2.210 -0.232) 3.451 5.609 ( 1.232 -0.241 -4.566) 4.735 5.670 ( 2.049 0.850 -1.051) 2.454 5.702 ( 1.493 1.156 0.255) 1.906 5.754 ( 2.362 -0.826 -2.068) 3.246 5.771 ( 1.281 -0.934 -1.236) 2.010 5.803 ( -0.172 0.917 -1.376) 1.662 5.806 ( -0.449 0.820 0.638) 1.132 5.896 ( -1.530 1.420 3.584) 4.148 5.969 ( -2.748 2.909 -6.659) 7.769 6.017 ( -0.307 -0.287 -10.403) 10.412 6.075 ( -0.395 0.570 -14.727) 14.744 6.196 ( 0.671 0.191 3.272) 3.345 6.202 ( 0.471 0.148 2.667) 2.712 6.268 ( 4.238 1.222 9.199) 10.201 6.310 ( 3.874 -0.325 7.839) 8.750 6.420 ( 7.957 4.342 5.144) 10.422 6.555 ( 6.381 2.814 -4.538) 8.320 6.648 ( 4.709 0.474 4.052) 6.231 6.833 ( 2.157 -3.144 -9.087) 9.855 6.856 ( 2.787 2.250 -1.925) 4.066 6.975 ( 2.589 -2.642 -4.537) 5.854 7.034 ( -1.141 -0.534 0.383) 1.317 7.080 ( 0.509 -1.643 -3.922) 4.283 7.138 ( 0.352 2.231 -2.671) 3.498 7.221 ( 2.074 0.274 -4.724) 5.166 7.344 ( -4.004 1.950 1.340) 4.651 7.427 ( -2.557 2.674 -2.013) 4.211 7.601 ( 0.971 -4.400 -2.124) 4.981 7.715 ( -0.719 -3.332 -3.437) 4.841 7.780 ( 6.232 2.267 2.999) 7.278 7.909 ( 8.135 2.025 -8.212) 11.736 7.937 ( 0.579 -4.972 5.397) 7.361 8.033 ( -0.219 -0.605 -5.001) 5.042 8.047 ( 1.256 -0.188 0.035) 1.271 8.091 ( 1.304 -1.381 -5.941) 6.238 8.136 ( -0.438 0.364 -4.736) 4.770 8.229 ( -1.266 -6.194 -13.197) 14.633 8.463 ( 3.051 0.835 -13.499) 13.864 8.513 ( 2.935 -0.843 -17.851) 18.110 8.796 ( 0.602 0.834 -4.605) 4.718 8.850 ( -0.012 -0.847 -9.332) 9.370 9.242 ( -1.785 1.075 0.909) 2.273 9.313 ( -0.454 1.188 -0.778) 1.491 9.338 ( -1.209 0.130 1.231) 1.730 9.420 ( 1.233 2.869 2.425) 3.954 9.432 ( 0.057 1.550 0.346) 1.589 9.519 ( 1.610 2.768 -0.200) 3.208 9.568 ( 2.483 4.115 -1.452) 5.020 9.627 ( -1.172 1.002 -4.571) 4.824 9.767 ( -2.707 1.811 2.568) 4.148 9.954 ( -0.797 -0.264 -1.509) 1.727 10.020 ( 3.015 3.615 5.231) 7.037 10.174 ( 0.791 -2.091 -2.241) 3.165 10.207 ( 2.071 3.749 2.734) 5.081 10.323 ( 2.758 4.446 0.487) 5.255 10.448 ( 1.872 2.749 6.738) 7.514 10.512 ( 2.520 5.522 -0.136) 6.072 10.593 ( 6.650 -1.768 4.231) 8.078 10.707 ( 5.044 -4.848 -5.614) 8.970 10.803 ( -0.527 -9.386 2.352) 9.690 10.911 ( 1.822 -6.483 1.109) 6.825 11.123 ( -3.162 -2.242 13.859) 14.391 11.124 ( -0.464 -2.923 13.709) 14.025 11.307 ( 6.731 0.146 5.048) 8.415 11.335 ( 0.954 0.740 4.399) 4.562 11.422 ( 1.189 0.650 5.931) 6.084 11.476 ( -0.692 0.424 -3.377) 3.473 11.565 ( -0.292 1.386 -4.550) 4.765 11.633 ( 0.790 -0.188 -0.092) 0.817 11.808 ( -5.223 2.173 12.317) 13.554 11.982 ( -1.400 -5.055 11.411) 12.558 12.111 ( -6.368 1.080 -15.800) 17.069 12.225 ( -9.324 -1.623 -9.087) 13.120 12.314 ( 2.273 3.734 1.685) 4.685 12.516 ( 1.635 -3.811 0.163) 4.150 12.611 ( 3.567 2.906 -11.144) 12.057 12.713 ( -5.616 2.776 -0.202) 6.268 12.739 ( 1.420 -2.964 -11.256) 11.726 12.795 ( -7.676 -0.699 7.865) 11.012 12.913 ( -2.660 4.278 -13.081) 14.017 13.053 ( -4.270 -1.804 -15.009) 15.709 14.858 ( 24.793 0.134 5.730) 25.447 14.865 ( 27.876 -0.085 6.071) 28.530 15.155 ( 26.046 1.149 -3.345) 26.285 15.248 ( 34.663 -2.306 -12.908) 37.060 18.013 ( -38.151 2.867 7.899) 39.065 18.135 ( -35.886 0.135 0.392) 35.889 18.285 ( -35.279 0.329 0.629) 35.286 18.478 ( -30.510 -5.021 -13.993) 33.940 19.064 ( 11.858 2.892 2.734) 12.508 19.153 ( 9.143 4.298 -2.622) 10.438 19.283 ( 5.801 -4.416 5.475) 9.117 19.382 ( 3.924 -4.433 -3.665) 6.963 19.921 ( 4.795 0.500 3.510) 5.963 19.951 ( 4.442 -0.218 2.538) 5.120 20.133 ( 0.976 0.394 -1.628) 1.939 20.163 ( -0.284 -0.522 -3.493) 3.544 21.482 ( 0.687 1.761 7.818) 8.044 21.560 ( -1.593 -0.593 5.390) 5.652 21.585 ( 0.581 0.003 -1.271) 1.397 21.633 ( 0.721 -0.137 5.342) 5.393 21.640 ( -0.293 -1.378 2.348) 2.739 21.727 ( 0.140 0.522 -0.273) 0.606 21.771 ( -0.751 -1.094 4.140) 4.347 21.832 ( 0.200 -1.318 2.320) 2.675 25.210 ( 6.394 3.343 42.788) 43.392 25.369 ( 5.892 -2.674 30.141) 30.828 25.651 ( -4.495 0.743 40.780) 41.034 25.705 ( -2.417 -1.115 33.646) 33.751 26.180 ( 5.490 0.703 -32.266) 32.737 26.217 ( 5.160 -0.690 -31.127) 31.559 26.638 ( -3.030 -0.140 -28.014) 28.178 26.644 ( -3.628 -0.347 -28.462) 28.694 ======================= Grid point 82 (33/36) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 6.124 0.275 19.034) 19.997 1.848 ( 5.511 -1.945 15.272) 16.352 1.945 ( -4.284 0.614 5.907) 7.323 2.027 ( -4.559 -3.192 9.561) 11.063 2.107 ( 9.188 1.328 9.028) 12.949 2.175 ( 7.453 1.236 -8.581) 11.433 2.238 ( 1.237 -1.470 -8.468) 8.683 2.264 ( -0.082 -0.313 3.073) 3.090 2.308 ( -1.176 -0.551 -9.781) 9.867 2.330 ( -2.770 0.380 -4.265) 5.100 2.435 ( 1.095 0.523 -15.367) 15.415 2.541 ( -0.456 -0.853 -7.839) 7.898 2.543 ( 2.263 -4.166 8.545) 9.772 2.599 ( -0.832 -4.187 6.436) 7.723 2.712 ( 2.263 1.231 -1.206) 2.844 2.740 ( 7.526 -1.729 -1.243) 7.821 2.772 ( 2.883 -2.069 -6.792) 7.663 2.833 ( 1.483 1.397 -3.263) 3.847 2.927 ( -1.431 -0.419 1.737) 2.289 2.960 ( -2.947 -1.121 -0.941) 3.290 3.005 ( -0.828 -3.989 3.644) 5.466 3.036 ( -2.686 -1.042 1.537) 3.266 3.083 ( -8.423 -2.648 3.237) 9.404 3.098 ( -0.780 -3.542 4.112) 5.483 3.137 ( -11.038 -2.339 -1.061) 11.333 3.169 ( -8.205 -0.318 0.659) 8.238 3.231 ( -0.178 0.042 -2.975) 2.980 3.285 ( -0.354 -1.509 -6.222) 6.412 3.347 ( -9.106 2.170 3.295) 9.924 3.393 ( -8.262 0.847 1.281) 8.404 3.502 ( -2.606 4.937 -8.373) 10.063 3.526 ( -2.592 6.553 -8.154) 10.777 3.622 ( 1.569 12.944 5.443) 14.129 3.671 ( -1.496 9.066 0.912) 9.233 3.760 ( -2.816 7.388 5.959) 9.901 3.825 ( -6.708 7.509 1.576) 10.192 3.938 ( 6.029 6.076 21.813) 23.432 4.081 ( -5.892 1.813 15.949) 17.098 4.191 ( 2.480 -0.960 3.539) 4.427 4.217 ( -0.350 -0.385 0.221) 0.565 4.258 ( 0.782 -1.977 -1.969) 2.898 4.275 ( -1.938 -1.046 -0.029) 2.203 4.327 ( 1.887 -5.835 0.502) 6.153 4.346 ( 0.331 -3.722 -3.372) 5.034 4.431 ( 0.845 1.660 2.570) 3.174 4.440 ( -0.419 0.094 2.625) 2.660 4.583 ( 2.813 -6.373 10.341) 12.469 4.616 ( 0.616 -6.178 3.215) 6.991 4.655 ( 0.538 -5.641 2.969) 6.397 4.688 ( -2.272 -6.537 12.321) 14.132 4.719 ( -0.465 -2.173 0.256) 2.237 4.742 ( -0.931 -2.710 2.215) 3.622 4.791 ( 0.469 -0.709 1.269) 1.527 4.804 ( -0.386 -0.150 0.199) 0.459 4.829 ( 1.589 -0.128 2.334) 2.827 4.879 ( -3.134 -0.193 3.174) 4.464 5.022 ( 0.161 -4.289 -9.749) 10.652 5.023 ( 0.070 -4.648 -10.568) 11.545 5.135 ( 0.148 1.465 3.960) 4.225 5.146 ( -0.973 1.732 0.712) 2.110 5.208 ( 4.036 3.534 6.257) 8.242 5.277 ( 3.544 -1.545 10.313) 11.014 5.294 ( -2.974 3.421 11.482) 12.344 5.353 ( -2.306 -0.221 10.894) 11.138 5.424 ( 1.274 -0.853 -1.814) 2.376 5.445 ( -0.610 -1.088 1.537) 1.979 5.600 ( 2.521 1.466 1.994) 3.533 5.629 ( 0.068 0.400 1.327) 1.387 5.716 ( 2.232 0.943 0.966) 2.608 5.759 ( 2.713 1.138 -3.082) 4.261 5.762 ( -0.778 0.596 0.633) 1.167 5.775 ( 0.095 -0.010 -0.476) 0.485 5.786 ( -0.686 0.644 -0.976) 1.356 5.814 ( -0.713 -0.158 -1.889) 2.025 5.881 ( 0.367 1.766 -0.799) 1.973 5.911 ( -2.447 2.954 -3.614) 5.270 6.025 ( 1.079 -0.319 -15.231) 15.272 6.054 ( -1.509 -0.185 -16.003) 16.076 6.206 ( 0.263 0.394 2.846) 2.885 6.208 ( 0.063 0.375 2.579) 2.606 6.348 ( 2.866 2.007 8.362) 9.064 6.366 ( 1.125 1.827 7.711) 8.004 6.582 ( 6.561 0.482 5.420) 8.524 6.648 ( 0.512 -1.759 4.840) 5.175 6.763 ( 6.613 0.993 -4.951) 8.320 6.851 ( -1.231 -2.632 -8.646) 9.122 6.917 ( 3.047 1.011 -5.795) 6.624 6.971 ( -2.335 -1.646 -5.773) 6.441 7.045 ( 1.430 1.632 -3.060) 3.752 7.073 ( -1.220 1.143 -5.159) 5.423 7.177 ( 2.522 0.413 3.783) 4.565 7.224 ( -2.198 -0.605 1.869) 2.948 7.309 ( 1.581 5.313 -2.267) 5.989 7.363 ( -3.251 5.441 -2.120) 6.683 7.645 ( 2.593 -6.862 -2.598) 7.782 7.690 ( -1.749 -5.799 -2.992) 6.756 7.886 ( 3.810 -0.834 5.097) 6.417 7.938 ( -1.163 -3.184 5.241) 6.241 8.033 ( 2.711 -0.178 -4.935) 5.633 8.050 ( 1.575 -0.482 -2.576) 3.058 8.104 ( 0.087 0.113 -5.404) 5.406 8.110 ( 5.118 1.475 -6.805) 8.642 8.118 ( -1.257 0.234 -5.228) 5.382 8.193 ( -2.541 -3.201 -11.604) 12.302 8.529 ( 2.817 0.332 -14.499) 14.774 8.555 ( 0.515 -0.350 -16.419) 16.431 8.820 ( 1.565 0.632 -6.935) 7.137 8.845 ( -0.677 0.155 -8.936) 8.963 9.227 ( 0.813 -0.106 -0.165) 0.836 9.272 ( -3.043 -1.454 -0.281) 3.385 9.336 ( 1.346 2.920 -1.482) 3.540 9.381 ( -2.736 1.405 -1.730) 3.529 9.479 ( 2.412 6.290 3.128) 7.427 9.522 ( -1.470 7.387 3.259) 8.207 9.601 ( 0.976 5.038 -2.274) 5.613 9.621 ( -0.436 6.773 -2.827) 7.353 9.810 ( 6.465 -6.601 4.506) 10.280 9.945 ( -4.318 -6.473 2.749) 8.252 10.022 ( 2.798 -6.767 0.658) 7.352 10.124 ( -4.881 -8.006 -0.025) 9.376 10.297 ( 5.129 7.806 2.551) 9.682 10.363 ( -0.607 5.881 2.187) 6.304 10.508 ( 3.487 7.926 3.361) 9.289 10.546 ( 0.219 7.836 -0.005) 7.839 10.723 ( 5.471 -3.195 5.101) 8.134 10.788 ( -0.126 -5.311 3.222) 6.213 10.827 ( 3.855 -4.235 -1.731) 5.983 10.896 ( -2.518 -3.173 0.599) 4.095 11.085 ( -0.040 -0.455 13.811) 13.818 11.118 ( -2.014 -0.541 15.957) 16.093 11.407 ( 4.587 0.854 2.278) 5.193 11.424 ( 2.009 1.104 4.353) 4.920 11.448 ( 2.350 -0.293 2.852) 3.707 11.508 ( 6.326 -1.675 5.200) 8.359 11.604 ( 3.412 -1.462 -0.403) 3.734 11.623 ( -0.668 -2.452 -0.243) 2.553 11.701 ( -4.472 0.453 3.107) 5.464 11.832 ( -12.427 -4.149 0.066) 13.102 12.009 ( -2.403 0.425 -16.660) 16.837 12.045 ( -6.413 -0.902 -15.367) 16.675 12.403 ( 6.048 3.068 16.265) 17.623 12.515 ( -2.483 -1.832 13.732) 14.074 12.591 ( -3.253 0.667 1.546) 3.663 12.608 ( -3.768 0.535 2.563) 4.588 12.754 ( 2.604 0.511 -7.332) 7.797 12.780 ( 0.881 -0.804 -9.790) 9.863 12.885 ( 1.024 2.585 -20.226) 20.417 12.957 ( -4.803 -0.429 -20.966) 21.514 15.443 ( 27.356 1.203 10.773) 29.425 15.495 ( 25.746 -0.533 10.117) 27.668 15.808 ( 32.176 2.495 -8.113) 33.277 15.969 ( 24.617 -3.161 -20.915) 32.457 17.274 ( -26.057 1.822 10.422) 28.123 17.387 ( -31.898 -2.156 9.668) 33.400 17.569 ( -24.545 1.748 -11.547) 27.182 17.767 ( -34.486 -5.211 -21.251) 40.841 19.236 ( 5.725 1.123 3.693) 6.905 19.290 ( 2.358 -0.131 0.775) 2.485 19.340 ( 2.472 0.399 0.556) 2.565 19.404 ( -1.635 -1.381 -3.678) 4.255 20.004 ( 2.697 -0.537 1.616) 3.190 20.018 ( 1.468 -0.630 1.624) 2.278 20.151 ( 0.704 0.013 1.326) 1.501 20.159 ( -0.129 -0.047 1.294) 1.302 21.500 ( 1.090 0.589 5.791) 5.922 21.527 ( -1.540 -0.327 5.187) 5.421 21.599 ( 0.901 -0.052 -0.309) 0.954 21.622 ( -1.220 -1.047 0.039) 1.608 21.662 ( 1.899 -1.288 5.304) 5.779 21.703 ( -1.982 -2.171 4.004) 4.967 21.790 ( 1.795 1.595 2.333) 3.348 21.822 ( -1.165 0.623 2.565) 2.885 25.366 ( 8.281 2.924 42.378) 43.279 25.498 ( 3.120 -1.037 31.814) 31.984 25.539 ( -3.406 0.629 41.056) 41.202 25.632 ( -4.817 -1.810 32.394) 32.800 26.308 ( 5.926 0.448 -30.979) 31.544 26.331 ( 4.418 -0.369 -30.225) 30.548 26.554 ( -4.003 -0.098 -29.617) 29.887 26.560 ( -3.933 -0.290 -29.115) 29.381 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 -9.423 15.951) 18.526 1.728 ( 0.000 9.423 15.951) 18.526 1.746 ( 0.000 -8.217 17.346) 19.194 1.746 ( 0.000 8.217 17.346) 19.194 2.054 ( 0.000 -6.670 -12.793) 14.427 2.054 ( 0.000 6.670 -12.793) 14.427 2.100 ( 0.000 -2.340 -17.353) 17.510 2.100 ( 0.000 2.340 -17.353) 17.510 2.399 ( 0.000 -0.997 12.018) 12.059 2.399 ( 0.000 0.997 12.018) 12.059 2.463 ( 0.000 -2.555 7.624) 8.041 2.463 ( 0.000 2.555 7.624) 8.041 2.627 ( 0.000 -1.154 -7.376) 7.466 2.627 ( 0.000 1.154 -7.376) 7.466 2.692 ( 0.000 -3.422 -11.154) 11.668 2.692 ( 0.000 3.422 -11.154) 11.668 2.731 ( 0.000 -1.103 2.963) 3.161 2.731 ( 0.000 1.103 2.963) 3.161 2.851 ( 0.000 -2.045 -0.502) 2.105 2.851 ( 0.000 2.045 -0.502) 2.105 2.970 ( 0.000 -5.641 8.777) 10.434 2.970 ( 0.000 5.641 8.777) 10.434 3.181 ( 0.000 -0.722 -9.699) 9.725 3.181 ( 0.000 0.722 -9.699) 9.725 3.389 ( 0.000 -2.196 7.718) 8.025 3.389 ( 0.000 2.196 7.718) 8.025 3.545 ( 0.000 -2.033 -7.892) 8.149 3.545 ( 0.000 2.033 -7.892) 8.149 3.718 ( 0.000 -1.193 6.610) 6.717 3.718 ( 0.000 1.193 6.610) 6.717 3.823 ( 0.000 -6.854 2.908) 7.445 3.823 ( 0.000 6.854 2.908) 7.445 3.934 ( 0.000 -0.423 12.244) 12.251 3.934 ( 0.000 0.423 12.244) 12.251 3.965 ( 0.000 -3.058 3.339) 4.527 3.965 ( 0.000 3.058 3.339) 4.527 4.055 ( 0.000 -1.839 2.311) 2.953 4.055 ( 0.000 1.839 2.311) 2.953 4.065 ( 0.000 -3.363 1.661) 3.751 4.065 ( 0.000 3.363 1.661) 3.751 4.182 ( 0.000 -4.858 7.932) 9.301 4.182 ( 0.000 4.858 7.932) 9.301 4.369 ( 0.000 -0.507 -1.187) 1.290 4.369 ( 0.000 0.507 -1.187) 1.290 4.423 ( 0.000 -0.911 -0.260) 0.947 4.423 ( 0.000 0.911 -0.260) 0.947 4.464 ( 0.000 -2.663 -9.928) 10.279 4.464 ( 0.000 2.663 -9.928) 10.279 4.612 ( 0.000 -0.802 9.064) 9.099 4.612 ( 0.000 0.802 9.064) 9.099 4.766 ( 0.000 -1.648 -2.754) 3.210 4.766 ( 0.000 1.648 -2.754) 3.210 4.837 ( 0.000 -0.738 -0.243) 0.777 4.837 ( 0.000 0.738 -0.243) 0.777 4.851 ( 0.000 -3.394 -4.924) 5.981 4.851 ( 0.000 3.394 -4.924) 5.981 5.028 ( 0.000 -1.470 18.105) 18.164 5.028 ( 0.000 1.470 18.105) 18.164 5.093 ( 0.000 -0.067 1.328) 1.330 5.093 ( 0.000 0.067 1.328) 1.330 5.203 ( 0.000 -0.349 -0.725) 0.805 5.203 ( 0.000 0.349 -0.725) 0.805 5.307 ( 0.000 -0.047 2.764) 2.764 5.307 ( 0.000 0.047 2.764) 2.764 5.457 ( 0.000 -0.865 2.649) 2.787 5.457 ( 0.000 0.865 2.649) 2.787 5.582 ( 0.000 -2.048 2.476) 3.213 5.582 ( 0.000 2.048 2.476) 3.213 5.652 ( 0.000 -0.113 0.974) 0.981 5.652 ( 0.000 0.113 0.974) 0.981 5.731 ( 0.000 -0.721 -0.885) 1.141 5.731 ( 0.000 0.721 -0.885) 1.141 5.833 ( 0.000 -0.143 0.309) 0.340 5.833 ( 0.000 0.143 0.309) 0.340 5.971 ( 0.000 -3.072 -0.463) 3.107 5.971 ( 0.000 3.072 -0.463) 3.107 6.076 ( 0.000 -1.943 -13.659) 13.797 6.076 ( 0.000 1.943 -13.659) 13.797 6.196 ( 0.000 -0.307 3.307) 3.322 6.196 ( 0.000 0.307 3.307) 3.322 6.224 ( 0.000 -0.900 9.057) 9.101 6.224 ( 0.000 0.900 9.057) 9.101 6.446 ( 0.000 -5.081 5.551) 7.526 6.446 ( 0.000 5.081 5.551) 7.526 6.714 ( 0.000 -6.586 -8.464) 10.724 6.714 ( 0.000 6.586 -8.464) 10.724 6.865 ( 0.000 -2.308 -3.677) 4.342 6.865 ( 0.000 2.308 -3.677) 4.342 7.047 ( 0.000 -1.817 4.938) 5.262 7.047 ( 0.000 1.817 4.938) 5.262 7.177 ( 0.000 -1.112 -8.232) 8.307 7.177 ( 0.000 1.112 -8.232) 8.307 7.407 ( 0.000 -1.090 -0.390) 1.158 7.407 ( 0.000 1.090 -0.390) 1.158 7.658 ( 0.000 -1.319 -1.443) 1.955 7.658 ( 0.000 1.319 -1.443) 1.955 7.793 ( 0.000 -3.192 1.684) 3.609 7.793 ( 0.000 3.192 1.684) 3.609 7.941 ( 0.000 -6.771 -10.879) 12.814 7.941 ( 0.000 6.771 -10.879) 12.814 8.030 ( 0.000 -0.853 -1.483) 1.711 8.030 ( 0.000 0.853 -1.483) 1.711 8.155 ( 0.000 -1.582 -6.971) 7.149 8.155 ( 0.000 1.582 -6.971) 7.149 8.452 ( 0.000 -1.216 -15.766) 15.812 8.452 ( 0.000 1.216 -15.766) 15.812 8.816 ( 0.000 -1.480 -6.498) 6.664 8.816 ( 0.000 1.480 -6.498) 6.664 9.304 ( 0.000 -1.844 2.568) 3.162 9.304 ( 0.000 1.844 2.568) 3.162 9.378 ( 0.000 -2.661 -2.328) 3.536 9.378 ( 0.000 2.661 -2.328) 3.536 9.478 ( 0.000 -2.476 3.032) 3.915 9.478 ( 0.000 2.476 3.032) 3.915 9.611 ( 0.000 -2.703 -3.091) 4.107 9.611 ( 0.000 2.703 -3.091) 4.107 9.986 ( 0.000 -4.683 4.439) 6.453 9.986 ( 0.000 4.683 4.439) 6.453 10.073 ( 0.000 -6.302 -3.725) 7.321 10.073 ( 0.000 6.302 -3.725) 7.321 10.364 ( 0.000 -6.370 3.065) 7.069 10.364 ( 0.000 6.370 3.065) 7.069 10.456 ( 0.000 -5.453 2.524) 6.009 10.456 ( 0.000 5.453 2.524) 6.009 10.580 ( 0.000 -5.923 0.335) 5.932 10.580 ( 0.000 5.923 0.335) 5.932 10.631 ( 0.000 -7.466 -2.038) 7.739 10.631 ( 0.000 7.466 -2.038) 7.739 11.142 ( 0.000 -0.193 15.667) 15.668 11.142 ( 0.000 0.193 15.667) 15.668 11.249 ( 0.000 -2.913 5.042) 5.823 11.249 ( 0.000 2.913 5.042) 5.823 11.462 ( 0.000 -2.335 0.592) 2.409 11.462 ( 0.000 2.335 0.592) 2.409 11.624 ( 0.000 -0.060 0.439) 0.443 11.624 ( 0.000 0.060 0.439) 0.443 11.919 ( 0.000 -2.159 14.813) 14.970 11.919 ( 0.000 2.159 14.813) 14.970 12.235 ( 0.000 -1.847 -12.153) 12.292 12.235 ( 0.000 1.847 -12.153) 12.292 12.414 ( 0.000 -1.964 -6.776) 7.055 12.414 ( 0.000 1.964 -6.776) 7.055 12.628 ( 0.000 -3.304 -10.965) 11.452 12.628 ( 0.000 3.304 -10.965) 11.452 12.866 ( 0.000 -2.101 1.441) 2.548 12.866 ( 0.000 2.101 1.441) 2.548 13.035 ( 0.000 -3.669 -11.146) 11.735 13.035 ( 0.000 3.669 -11.146) 11.735 14.564 ( 0.000 -0.424 3.059) 3.088 14.564 ( 0.000 0.424 3.059) 3.088 14.875 ( 0.000 -0.358 -2.391) 2.417 14.875 ( 0.000 0.358 -2.391) 2.417 18.584 ( 0.000 -0.258 2.760) 2.772 18.584 ( 0.000 0.258 2.760) 2.772 18.776 ( 0.000 -1.018 -2.974) 3.143 18.776 ( 0.000 1.018 -2.974) 3.143 18.969 ( 0.000 -6.649 6.651) 9.404 18.969 ( 0.000 6.649 6.651) 9.404 19.133 ( 0.000 -7.181 -6.234) 9.510 19.133 ( 0.000 7.181 -6.234) 9.510 19.883 ( 0.000 -0.822 4.812) 4.882 19.883 ( 0.000 0.822 4.812) 4.882 20.143 ( 0.000 -1.216 -5.894) 6.018 20.143 ( 0.000 1.216 -5.894) 6.018 21.541 ( 0.000 -3.609 6.749) 7.653 21.541 ( 0.000 3.609 6.749) 7.653 21.579 ( 0.000 -0.446 2.416) 2.457 21.579 ( 0.000 0.446 2.416) 2.457 21.715 ( 0.000 -3.849 3.638) 5.296 21.715 ( 0.000 3.849 3.638) 5.296 21.766 ( 0.000 -0.696 2.159) 2.268 21.766 ( 0.000 0.696 2.159) 2.268 25.226 ( 0.000 -4.244 36.243) 36.491 25.226 ( 0.000 4.244 36.243) 36.491 25.710 ( 0.000 -0.875 37.164) 37.174 25.710 ( 0.000 0.875 37.164) 37.174 26.140 ( 0.000 -1.062 -32.299) 32.316 26.140 ( 0.000 1.062 -32.299) 32.316 26.672 ( 0.000 -0.331 -27.947) 27.949 26.672 ( 0.000 0.331 -27.947) 27.949 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.893 -3.530 17.682) 18.053 1.731 ( 0.893 3.530 17.682) 18.053 1.878 ( 11.559 -6.593 13.755) 19.138 1.878 ( 11.559 6.593 13.755) 19.138 2.077 ( 0.270 -3.566 -14.088) 14.534 2.077 ( 0.270 3.566 -14.088) 14.534 2.152 ( 6.916 -4.032 -11.037) 13.635 2.152 ( 6.916 4.032 -11.037) 13.635 2.306 ( -6.935 -1.475 7.805) 10.545 2.306 ( -6.935 1.475 7.805) 10.545 2.489 ( 2.353 -2.019 10.045) 10.512 2.489 ( 2.353 2.019 10.045) 10.512 2.546 ( -6.525 -0.926 -11.611) 13.351 2.546 ( -6.525 0.926 -11.611) 13.351 2.701 ( 1.792 -1.313 -8.166) 8.463 2.701 ( 1.792 1.313 -8.166) 8.463 2.817 ( 4.501 -0.624 -0.315) 4.555 2.817 ( 4.501 0.624 -0.315) 4.555 2.864 ( -0.156 -1.599 1.135) 1.967 2.864 ( -0.156 1.599 1.135) 1.967 2.958 ( 0.924 -3.310 10.286) 10.845 2.958 ( 0.924 3.310 10.286) 10.845 3.182 ( 0.492 -1.096 -9.391) 9.468 3.182 ( 0.492 1.096 -9.391) 9.468 3.313 ( -8.784 -1.376 4.066) 9.777 3.313 ( -8.784 1.376 4.066) 9.777 3.454 ( -9.801 -2.520 -5.472) 11.505 3.454 ( -9.801 2.520 -5.472) 11.505 3.615 ( -10.615 -3.361 4.699) 12.086 3.615 ( -10.615 3.361 4.699) 12.086 3.724 ( -10.408 -3.541 -1.892) 11.155 3.724 ( -10.408 3.541 -1.892) 11.155 3.876 ( -2.154 -2.969 5.330) 6.470 3.876 ( -2.154 2.969 5.330) 6.470 3.931 ( 0.073 -4.831 9.484) 10.643 3.931 ( 0.073 4.831 9.483) 10.643 4.013 ( -1.567 -8.456 7.080) 11.139 4.013 ( -1.567 8.456 7.080) 11.139 4.108 ( 0.306 -3.037 3.170) 4.401 4.108 ( 0.306 3.037 3.170) 4.401 4.215 ( 3.761 -0.598 0.111) 3.810 4.215 ( 3.761 0.598 0.111) 3.810 4.294 ( -2.690 -2.009 -2.144) 3.983 4.294 ( -2.690 2.009 -2.144) 3.983 4.413 ( 1.616 -0.606 5.154) 5.435 4.413 ( 1.616 0.606 5.154) 5.435 4.559 ( 1.147 -1.234 2.314) 2.863 4.559 ( 1.147 1.234 2.314) 2.863 4.596 ( -0.866 -1.793 8.159) 8.399 4.596 ( -0.866 1.793 8.159) 8.399 4.725 ( -3.314 -1.654 -0.805) 3.790 4.725 ( -3.314 1.654 -0.805) 3.790 4.804 ( -0.626 -0.200 -0.233) 0.697 4.804 ( -0.626 0.200 -0.233) 0.697 4.885 ( 1.445 -4.501 -7.546) 8.905 4.885 ( 1.445 4.501 -7.546) 8.905 4.969 ( -3.257 -1.452 2.164) 4.171 4.969 ( -3.257 1.452 2.164) 4.171 5.135 ( 2.424 -1.174 6.698) 7.219 5.135 ( 2.424 1.174 6.698) 7.219 5.199 ( 0.306 -0.549 1.692) 1.805 5.199 ( 0.306 0.549 1.692) 1.805 5.349 ( 2.382 -0.803 3.548) 4.349 5.349 ( 2.382 0.803 3.548) 4.349 5.445 ( -1.410 -0.641 8.507) 8.647 5.445 ( -1.410 0.641 8.507) 8.647 5.589 ( 1.314 -1.667 -0.005) 2.123 5.589 ( 1.314 1.667 -0.005) 2.123 5.696 ( 3.161 -1.457 1.121) 3.657 5.696 ( 3.161 1.457 1.121) 3.657 5.753 ( 1.739 -0.702 -2.041) 2.772 5.753 ( 1.739 0.702 -2.041) 2.772 5.818 ( -1.016 -0.057 -0.353) 1.077 5.818 ( -1.016 0.057 -0.353) 1.077 5.945 ( -1.737 -2.858 -0.693) 3.416 5.945 ( -1.737 2.858 -0.693) 3.416 6.064 ( -1.054 -2.004 -14.657) 14.830 6.064 ( -1.054 2.004 -14.657) 14.830 6.201 ( 0.702 -0.187 3.208) 3.290 6.201 ( 0.702 0.187 3.208) 3.290 6.295 ( 5.079 -1.137 8.989) 10.387 6.295 ( 5.079 1.137 8.989) 10.387 6.521 ( 5.602 -4.404 4.545) 8.452 6.521 ( 5.602 4.404 4.545) 8.452 6.736 ( 2.568 -5.611 -8.037) 10.133 6.736 ( 2.568 5.611 -8.037) 10.133 6.916 ( 3.047 -3.019 -3.479) 5.523 6.916 ( 3.047 3.019 -3.479) 5.523 7.042 ( 0.473 -1.380 0.549) 1.558 7.042 ( 0.473 1.380 0.549) 1.558 7.194 ( 0.982 -2.544 -3.618) 4.530 7.194 ( 0.982 2.544 -3.618) 4.530 7.410 ( 0.607 -3.854 -0.703) 3.965 7.410 ( 0.607 3.854 -0.703) 3.965 7.612 ( -3.202 -4.990 -2.560) 6.458 7.612 ( -3.202 4.990 -2.560) 6.458 7.845 ( 3.229 -3.610 3.569) 6.016 7.845 ( 3.229 3.610 3.569) 6.016 7.973 ( 2.844 -3.977 -9.084) 10.317 7.973 ( 2.844 3.977 -9.084) 10.317 8.060 ( 2.882 -0.982 -3.430) 4.587 8.060 ( 2.882 0.982 -3.430) 4.587 8.150 ( -0.504 -1.459 -6.634) 6.811 8.150 ( -0.504 1.459 -6.634) 6.811 8.488 ( 2.971 -1.401 -16.111) 16.442 8.488 ( 2.971 1.401 -16.111) 16.442 8.822 ( 0.621 -1.497 -6.629) 6.824 8.822 ( 0.621 1.497 -6.629) 6.824 9.281 ( -2.044 -2.307 0.706) 3.162 9.281 ( -2.044 2.307 0.706) 3.162 9.387 ( 0.376 -2.726 -1.473) 3.121 9.387 ( 0.376 2.726 -1.473) 3.121 9.519 ( 3.854 -2.715 3.293) 5.751 9.519 ( 3.854 2.715 3.293) 5.751 9.627 ( 2.086 -1.202 -1.682) 2.937 9.627 ( 2.086 1.202 -1.682) 2.937 9.907 ( -5.859 -8.410 1.075) 10.306 9.907 ( -5.859 8.410 1.075) 10.306 10.046 ( -3.447 -6.451 -0.925) 7.373 10.046 ( -3.447 6.451 -0.925) 7.373 10.392 ( 2.308 -4.912 5.520) 7.741 10.392 ( 2.308 4.912 5.520) 7.741 10.525 ( 6.141 -6.957 2.857) 9.709 10.525 ( 6.141 6.957 2.857) 9.709 10.624 ( 3.536 -4.187 -2.875) 6.189 10.624 ( 3.536 4.187 -2.875) 6.189 10.702 ( 5.669 -10.301 0.034) 11.758 10.702 ( 5.669 10.301 0.034) 11.758 11.098 ( -2.233 -0.262 14.536) 14.709 11.098 ( -2.233 0.262 14.536) 14.709 11.320 ( 5.411 -1.026 5.721) 7.941 11.320 ( 5.411 1.026 5.721) 7.941 11.459 ( -0.226 -1.833 2.016) 2.734 11.459 ( -0.226 1.833 2.016) 2.734 11.607 ( -1.570 -1.946 -1.369) 2.851 11.607 ( -1.570 1.946 -1.369) 2.851 11.883 ( -4.089 -4.401 11.353) 12.845 11.883 ( -4.089 4.401 11.353) 12.845 12.153 ( -7.036 -3.068 -14.892) 16.754 12.153 ( -7.036 3.068 -14.892) 16.754 12.423 ( 1.385 -4.939 1.225) 5.274 12.423 ( 1.385 4.939 1.225) 5.274 12.676 ( 2.863 -3.014 -10.899) 11.665 12.676 ( 2.863 3.014 -10.899) 11.665 12.766 ( -6.921 -2.076 3.378) 7.976 12.766 ( -6.921 2.076 3.378) 7.976 12.997 ( -3.178 -3.394 -13.970) 14.724 12.997 ( -3.178 3.394 -13.970) 14.724 14.861 ( 26.683 -0.194 5.995) 27.348 14.861 ( 26.683 0.194 5.995) 27.348 15.194 ( 29.528 -2.428 -7.959) 30.678 15.194 ( 29.528 2.428 -7.959) 30.678 18.089 ( -37.196 -3.780 7.901) 38.213 18.089 ( -37.196 3.780 7.901) 38.213 18.355 ( -32.883 -5.638 -10.205) 34.889 18.355 ( -32.883 5.638 -10.205) 34.889 19.159 ( 8.798 -5.369 3.617) 10.923 19.159 ( 8.798 5.369 3.617) 10.923 19.271 ( 7.152 -5.333 -3.089) 9.442 19.271 ( 7.152 5.333 -3.089) 9.442 19.937 ( 4.158 -0.916 3.226) 5.342 19.937 ( 4.158 0.916 3.226) 5.342 20.147 ( 0.364 -0.856 -2.586) 2.749 20.147 ( 0.364 0.856 -2.586) 2.749 21.526 ( -0.957 -2.287 4.929) 5.517 21.526 ( -0.957 2.287 4.929) 5.517 21.594 ( 1.041 -1.025 3.745) 4.020 21.594 ( 1.041 1.025 3.745) 4.020 21.686 ( -1.896 -3.078 3.088) 4.755 21.686 ( -1.896 3.078 3.088) 4.755 21.794 ( 1.707 -2.072 2.817) 3.891 21.794 ( 1.707 2.072 2.817) 3.891 25.294 ( 6.141 -4.136 36.074) 36.826 25.294 ( 6.141 4.136 36.074) 36.826 25.676 ( -3.303 -1.468 37.269) 37.444 25.676 ( -3.303 1.468 37.269) 37.444 26.199 ( 5.329 -0.986 -31.779) 32.238 26.199 ( 5.329 0.986 -31.779) 32.238 26.637 ( -3.271 -0.154 -28.427) 28.615 26.637 ( -3.271 0.154 -28.427) 28.615 ======================= Grid point 89 (36/36) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 4.548 -2.484 17.262) 18.023 1.786 ( 4.548 2.484 17.262) 18.023 1.972 ( -5.627 -1.968 8.465) 10.353 1.972 ( -5.627 1.968 8.465) 10.353 2.185 ( 7.493 -2.162 -10.074) 12.740 2.185 ( 7.493 2.162 -10.074) 12.740 2.226 ( 6.621 -4.087 7.710) 10.954 2.226 ( 6.621 4.087 7.710) 10.954 2.307 ( -1.673 -0.991 -8.833) 9.045 2.307 ( -1.673 0.991 -8.833) 9.045 2.466 ( 2.890 -3.261 -2.592) 5.070 2.466 ( 2.890 3.261 -2.592) 5.070 2.535 ( 3.191 -4.052 -0.094) 5.159 2.535 ( 3.191 4.052 -0.094) 5.159 2.717 ( -1.506 -2.893 -8.887) 9.466 2.717 ( -1.506 2.893 -8.887) 9.466 2.829 ( -1.081 -4.907 1.921) 5.379 2.829 ( -1.081 4.907 1.921) 5.379 2.883 ( 2.604 -0.847 1.350) 3.052 2.883 ( 2.604 0.847 1.350) 3.052 3.029 ( -0.252 -2.596 2.512) 3.621 3.029 ( -0.252 2.596 2.512) 3.621 3.041 ( -10.688 -1.033 1.321) 10.819 3.041 ( -10.688 1.033 1.321) 10.819 3.140 ( -11.751 -1.625 0.406) 11.869 3.140 ( -11.751 1.625 0.406) 11.869 3.251 ( 2.274 -1.705 -5.118) 5.854 3.251 ( 2.274 1.705 -5.118) 5.854 3.383 ( -9.534 -1.277 3.825) 10.352 3.383 ( -9.534 1.277 3.825) 10.352 3.573 ( -3.997 -1.030 -9.611) 10.460 3.573 ( -3.997 1.030 -9.611) 10.460 3.854 ( -0.427 -2.581 9.432) 9.788 3.854 ( -0.427 2.581 9.432) 9.788 3.954 ( 1.078 -3.662 1.723) 4.188 3.954 ( 1.078 3.662 1.723) 4.188 4.005 ( 0.329 -4.133 11.093) 11.843 4.005 ( 0.329 4.133 11.093) 11.843 4.135 ( 1.940 -2.346 2.484) 3.929 4.135 ( 1.940 2.346 2.484) 3.929 4.227 ( -1.689 -1.308 1.214) 2.457 4.227 ( -1.689 1.308 1.214) 2.457 4.304 ( 1.781 -0.709 0.945) 2.137 4.304 ( 1.781 0.709 0.945) 2.137 4.442 ( 0.757 -0.867 11.657) 11.713 4.442 ( 0.757 0.867 11.657) 11.713 4.524 ( -2.185 -0.241 8.088) 8.382 4.524 ( -2.185 0.241 8.088) 8.382 4.580 ( -0.680 -0.714 5.729) 5.813 4.580 ( -0.680 0.714 5.729) 5.813 4.699 ( 0.215 -1.832 1.903) 2.650 4.699 ( 0.215 1.832 1.903) 2.650 4.784 ( -1.210 -1.225 -0.913) 1.949 4.784 ( -1.210 1.225 -0.913) 1.949 4.902 ( 0.354 -5.048 -12.459) 13.448 4.902 ( 0.354 5.048 -12.459) 13.448 4.927 ( -0.932 -3.847 -5.709) 6.947 4.927 ( -0.932 3.847 -5.709) 6.947 5.161 ( 0.361 -0.586 1.812) 1.938 5.161 ( 0.361 0.586 1.812) 1.938 5.252 ( 4.310 -0.750 9.802) 10.734 5.252 ( 4.310 0.750 9.802) 10.734 5.344 ( -3.189 -1.058 11.668) 12.143 5.344 ( -3.189 1.058 11.668) 12.143 5.425 ( -0.017 -0.779 1.298) 1.515 5.425 ( -0.017 0.779 1.298) 1.515 5.626 ( 1.547 -0.737 1.826) 2.504 5.626 ( 1.547 0.737 1.826) 2.504 5.742 ( 0.924 -1.292 0.722) 1.745 5.742 ( 0.924 1.292 0.722) 1.745 5.777 ( 0.557 -0.294 -0.115) 0.640 5.777 ( 0.557 0.294 -0.115) 0.640 5.804 ( -0.450 -0.693 -0.852) 1.187 5.804 ( -0.450 0.693 -0.852) 1.187 5.930 ( 0.229 -1.704 -3.132) 3.573 5.930 ( 0.229 1.704 -3.132) 3.573 6.037 ( -1.245 -1.343 -16.845) 16.944 6.037 ( -1.245 1.343 -16.845) 16.944 6.211 ( 0.267 -0.073 2.801) 2.815 6.211 ( 0.267 0.073 2.801) 2.815 6.385 ( 2.800 -0.709 8.776) 9.240 6.385 ( 2.800 0.709 8.776) 9.240 6.603 ( 2.014 -1.838 4.785) 5.507 6.603 ( 2.014 1.838 4.785) 5.507 6.798 ( 2.339 -2.158 -6.799) 7.507 6.798 ( 2.339 2.158 -6.799) 7.507 6.943 ( 0.245 -1.239 -7.408) 7.514 6.943 ( 0.245 1.239 -7.408) 7.514 7.070 ( 1.138 -0.840 -1.603) 2.138 7.070 ( 1.138 0.840 -1.603) 2.138 7.205 ( 0.256 -1.463 1.739) 2.286 7.205 ( 0.256 1.463 1.739) 2.286 7.436 ( 1.517 -4.191 -1.171) 4.608 7.436 ( 1.517 4.191 -1.171) 4.608 7.553 ( -2.171 -4.111 -3.485) 5.811 7.553 ( -2.171 4.111 -3.485) 5.811 7.887 ( 0.893 -1.321 3.713) 4.041 7.887 ( 0.893 1.321 3.713) 4.041 8.034 ( 2.514 -0.558 -5.168) 5.774 8.034 ( 2.514 0.558 -5.168) 5.774 8.112 ( 0.342 -0.476 -5.069) 5.103 8.112 ( 0.342 0.476 -5.069) 5.103 8.145 ( 0.930 -1.537 -6.989) 7.216 8.145 ( 0.930 1.537 -6.989) 7.216 8.542 ( 1.695 -0.789 -16.619) 16.724 8.542 ( 1.695 0.789 -16.619) 16.724 8.836 ( 0.575 -0.790 -6.758) 6.828 8.836 ( 0.575 0.790 -6.758) 6.828 9.241 ( -1.365 -1.244 -0.430) 1.896 9.241 ( -1.365 1.244 -0.430) 1.896 9.385 ( -0.342 -1.204 -1.224) 1.751 9.385 ( -0.342 1.204 -1.224) 1.751 9.614 ( 4.521 -4.093 4.194) 7.401 9.614 ( 4.521 4.093 4.194) 7.401 9.696 ( 3.889 -2.995 -0.077) 4.909 9.696 ( 3.889 2.995 -0.077) 4.909 9.786 ( -5.646 -7.671 -0.430) 9.534 9.786 ( -5.646 7.671 -0.430) 9.534 9.963 ( -3.415 -4.340 -0.296) 5.530 9.963 ( -3.415 4.340 -0.296) 5.530 10.434 ( 1.358 -1.483 7.503) 7.768 10.434 ( 1.358 1.483 7.503) 7.768 10.637 ( 3.419 -3.992 5.149) 7.358 10.637 ( 3.419 3.992 5.149) 7.358 10.698 ( 2.973 -2.129 -6.133) 7.141 10.698 ( 2.973 2.129 -6.133) 7.141 10.784 ( 1.493 -5.622 0.820) 5.874 10.784 ( 1.493 5.622 0.820) 5.874 11.092 ( 1.174 -1.171 16.820) 16.901 11.092 ( 1.174 1.171 16.820) 16.901 11.431 ( 3.780 -1.296 2.140) 4.533 11.431 ( 3.780 1.296 2.140) 4.533 11.464 ( 0.840 -2.388 5.669) 6.209 11.464 ( 0.840 2.388 5.669) 6.209 11.588 ( 2.035 -0.246 -2.502) 3.235 11.588 ( 2.035 0.246 -2.502) 3.235 11.742 ( -9.204 -3.566 4.166) 10.714 11.742 ( -9.204 3.566 4.166) 10.714 12.024 ( -4.019 -0.945 -16.702) 17.205 12.024 ( -4.019 0.945 -16.702) 17.205 12.468 ( 2.516 -2.688 12.629) 13.155 12.468 ( 2.516 2.688 12.629) 13.155 12.606 ( -4.790 -0.612 2.893) 5.629 12.606 ( -4.790 0.612 2.893) 5.629 12.766 ( 2.359 -0.576 -8.442) 8.784 12.766 ( 2.359 0.576 -8.442) 8.784 12.934 ( -2.292 -1.767 -20.073) 20.281 12.934 ( -2.292 1.767 -20.073) 20.281 15.473 ( 26.413 -1.436 11.263) 28.750 15.473 ( 26.413 1.436 11.263) 28.750 15.884 ( 30.221 -4.357 -15.453) 34.221 15.884 ( 30.221 4.357 -15.453) 34.222 17.328 ( -30.331 -3.069 11.025) 32.418 17.328 ( -30.331 3.069 11.025) 32.418 17.645 ( -29.957 -5.336 -16.649) 34.686 17.645 ( -29.957 5.336 -16.649) 34.686 19.267 ( 2.415 -1.633 3.527) 4.576 19.267 ( 2.415 1.633 3.527) 4.576 19.368 ( 2.426 -1.809 -2.960) 4.233 19.368 ( 2.426 1.809 -2.960) 4.233 20.003 ( 1.742 -0.471 1.534) 2.369 20.003 ( 1.742 0.471 1.534) 2.369 20.155 ( 0.312 -0.293 1.223) 1.296 20.155 ( 0.312 0.293 1.223) 1.296 21.512 ( -0.417 -0.725 3.629) 3.724 21.512 ( -0.417 0.725 3.629) 3.724 21.613 ( 0.700 -0.723 3.966) 4.092 21.613 ( 0.700 0.723 3.966) 4.092 21.654 ( -1.031 -1.609 3.259) 3.778 21.654 ( -1.031 1.609 3.259) 3.778 21.819 ( 0.669 -0.890 3.217) 3.404 21.819 ( 0.669 0.890 3.217) 3.404 25.440 ( 7.433 -3.624 35.803) 36.746 25.440 ( 7.433 3.624 35.803) 36.746 25.582 ( -5.760 -2.638 37.466) 37.998 25.582 ( -5.760 2.638 37.466) 37.998 26.320 ( 5.230 -0.587 -30.605) 31.054 26.320 ( 5.230 0.587 -30.605) 31.054 26.555 ( -3.993 -0.155 -29.563) 29.832 26.555 ( -3.993 0.155 -29.563) 29.832 =================== 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 3/25200 10.0 1371.357 1401.814 2227.446 0.000 0.000 0.000 3/25200 20.0 265.185 253.523 421.060 0.000 0.000 0.000 3/25200 30.0 102.334 86.292 172.666 0.000 0.000 0.000 3/25200 40.0 55.569 43.371 95.588 0.000 0.000 0.000 3/25200 50.0 36.074 26.891 62.577 0.000 0.000 0.000 3/25200 60.0 25.991 18.836 45.377 0.000 0.000 0.000 3/25200 70.0 20.011 14.244 35.146 0.000 0.000 0.000 3/25200 80.0 16.126 11.344 28.486 0.000 0.000 0.000 3/25200 90.0 13.435 9.374 23.863 0.000 0.000 0.000 3/25200 100.0 11.480 7.964 20.495 0.000 0.000 0.000 3/25200 110.0 10.006 6.912 17.948 0.000 0.000 0.000 3/25200 120.0 8.862 6.102 15.963 0.000 0.000 0.000 3/25200 130.0 7.953 5.460 14.377 0.000 0.000 0.000 3/25200 140.0 7.214 4.941 13.082 0.000 0.000 0.000 3/25200 150.0 6.604 4.512 12.007 0.000 0.000 0.000 3/25200 160.0 6.092 4.153 11.101 0.000 0.000 0.000 3/25200 170.0 5.656 3.849 10.326 0.000 0.000 0.000 3/25200 180.0 5.281 3.587 9.658 0.000 0.000 0.000 3/25200 190.0 4.955 3.359 9.075 0.000 0.000 0.000 3/25200 200.0 4.669 3.160 8.561 0.000 0.000 0.000 3/25200 210.0 4.416 2.983 8.106 0.000 0.000 0.000 3/25200 220.0 4.190 2.827 7.700 0.000 0.000 0.000 3/25200 230.0 3.987 2.686 7.335 0.000 0.000 0.000 3/25200 240.0 3.804 2.559 7.005 0.000 0.000 0.000 3/25200 250.0 3.638 2.444 6.705 0.000 0.000 0.000 3/25200 260.0 3.486 2.340 6.431 0.000 0.000 0.000 3/25200 270.0 3.347 2.244 6.181 0.000 0.000 0.000 3/25200 280.0 3.219 2.156 5.950 0.000 0.000 0.000 3/25200 290.0 3.101 2.075 5.737 0.000 0.000 0.000 3/25200 300.0 2.992 2.000 5.539 0.000 0.000 0.000 3/25200 310.0 2.890 1.931 5.356 0.000 0.000 0.000 3/25200 320.0 2.796 1.866 5.184 0.000 0.000 0.000 3/25200 330.0 2.707 1.806 5.024 0.000 0.000 0.000 3/25200 340.0 2.624 1.750 4.874 0.000 0.000 0.000 3/25200 350.0 2.546 1.697 4.734 0.000 0.000 0.000 3/25200 360.0 2.473 1.647 4.601 0.000 0.000 0.000 3/25200 370.0 2.404 1.600 4.476 0.000 0.000 0.000 3/25200 380.0 2.339 1.556 4.358 0.000 0.000 0.000 3/25200 390.0 2.277 1.514 4.246 0.000 0.000 0.000 3/25200 400.0 2.218 1.475 4.140 0.000 0.000 0.000 3/25200 410.0 2.163 1.438 4.039 0.000 0.000 0.000 3/25200 420.0 2.110 1.402 3.944 0.000 0.000 0.000 3/25200 430.0 2.060 1.368 3.852 0.000 0.000 0.000 3/25200 440.0 2.012 1.336 3.765 0.000 0.000 0.000 3/25200 450.0 1.967 1.305 3.682 0.000 0.000 0.000 3/25200 460.0 1.923 1.276 3.603 0.000 0.000 0.000 3/25200 470.0 1.882 1.248 3.527 0.000 0.000 0.000 3/25200 480.0 1.842 1.222 3.454 0.000 0.000 0.000 3/25200 490.0 1.804 1.196 3.385 0.000 0.000 0.000 3/25200 500.0 1.767 1.172 3.318 0.000 0.000 0.000 3/25200 510.0 1.732 1.148 3.254 0.000 0.000 0.000 3/25200 520.0 1.698 1.125 3.192 0.000 0.000 0.000 3/25200 530.0 1.666 1.104 3.132 0.000 0.000 0.000 3/25200 540.0 1.634 1.083 3.075 0.000 0.000 0.000 3/25200 550.0 1.604 1.063 3.020 0.000 0.000 0.000 3/25200 560.0 1.575 1.044 2.967 0.000 0.000 0.000 3/25200 570.0 1.548 1.025 2.915 0.000 0.000 0.000 3/25200 580.0 1.521 1.007 2.866 0.000 0.000 0.000 3/25200 590.0 1.495 0.990 2.818 0.000 0.000 0.000 3/25200 600.0 1.469 0.973 2.772 0.000 0.000 0.000 3/25200 610.0 1.445 0.957 2.727 0.000 0.000 0.000 3/25200 620.0 1.422 0.941 2.683 0.000 0.000 0.000 3/25200 630.0 1.399 0.926 2.641 0.000 0.000 0.000 3/25200 640.0 1.377 0.911 2.601 0.000 0.000 0.000 3/25200 650.0 1.356 0.897 2.561 0.000 0.000 0.000 3/25200 660.0 1.335 0.883 2.523 0.000 0.000 0.000 3/25200 670.0 1.315 0.870 2.486 0.000 0.000 0.000 3/25200 680.0 1.295 0.857 2.450 0.000 0.000 0.000 3/25200 690.0 1.277 0.844 2.415 0.000 0.000 0.000 3/25200 700.0 1.258 0.832 2.381 0.000 0.000 0.000 3/25200 710.0 1.240 0.820 2.348 0.000 0.000 0.000 3/25200 720.0 1.223 0.809 2.315 0.000 0.000 0.000 3/25200 730.0 1.206 0.798 2.284 0.000 0.000 0.000 3/25200 740.0 1.190 0.787 2.254 0.000 0.000 0.000 3/25200 750.0 1.174 0.776 2.224 0.000 0.000 0.000 3/25200 760.0 1.158 0.766 2.195 0.000 0.000 0.000 3/25200 770.0 1.143 0.756 2.167 0.000 0.000 0.000 3/25200 780.0 1.129 0.746 2.139 0.000 0.000 0.000 3/25200 790.0 1.114 0.737 2.113 0.000 0.000 0.000 3/25200 800.0 1.100 0.727 2.087 0.000 0.000 0.000 3/25200 810.0 1.087 0.718 2.061 0.000 0.000 0.000 3/25200 820.0 1.073 0.710 2.036 0.000 0.000 0.000 3/25200 830.0 1.060 0.701 2.012 0.000 0.000 0.000 3/25200 840.0 1.048 0.693 1.988 0.000 0.000 0.000 3/25200 850.0 1.035 0.684 1.965 0.000 0.000 0.000 3/25200 860.0 1.023 0.676 1.943 0.000 0.000 0.000 3/25200 870.0 1.011 0.668 1.921 0.000 0.000 0.000 3/25200 880.0 1.000 0.661 1.899 0.000 0.000 0.000 3/25200 890.0 0.989 0.653 1.878 0.000 0.000 0.000 3/25200 900.0 0.978 0.646 1.857 0.000 0.000 0.000 3/25200 910.0 0.967 0.639 1.837 0.000 0.000 0.000 3/25200 920.0 0.956 0.632 1.817 0.000 0.000 0.000 3/25200 930.0 0.946 0.625 1.798 0.000 0.000 0.000 3/25200 940.0 0.936 0.618 1.779 0.000 0.000 0.000 3/25200 950.0 0.926 0.612 1.760 0.000 0.000 0.000 3/25200 960.0 0.916 0.605 1.742 0.000 0.000 0.000 3/25200 970.0 0.907 0.599 1.725 0.000 0.000 0.000 3/25200 980.0 0.898 0.593 1.707 0.000 0.000 0.000 3/25200 990.0 0.889 0.587 1.690 0.000 0.000 0.000 3/25200 1000.0 0.880 0.581 1.673 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m547.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:31:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|