----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:59:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.869937895000000 5.891952300000000 7.372380729999999 b 2.869937895000000 -5.891952300000000 7.372380729999999 c 2.869937895000000 5.891952300000000 -7.372380729999999 Atomic positions (fractional): *1 Ba 0.61117861169274 0.35241256786286 0.25876604382989 137.327 2 Ba 0.38882138830726 0.64758743213714 0.74123395617011 137.327 3 Ba 0.90635347596703 0.64758743213714 0.25876604382989 137.327 4 Ba 0.09364652403297 0.35241256786286 0.74123395617011 137.327 *5 Ba 0.35683784654201 0.85683784654201 0.50000000000000 137.327 6 Ba 0.64316215345799 0.14316215345799 0.50000000000000 137.327 *7 Mg 0.21856485581857 0.21856485581857 0.00000000000000 24.305 8 Mg 0.78143514418144 0.78143514418144 0.00000000000000 24.305 *9 Mg 0.25676988243615 0.00000000000000 0.25676988243615 24.305 10 Mg 0.74323011756385 0.00000000000000 0.74323011756385 24.305 *11 Mg 0.00000000000000 0.74402570467989 0.74402570467989 24.305 12 Mg 0.00000000000000 0.25597429532011 0.25597429532011 24.305 *13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 *14 H 0.35978695285641 0.01283837723268 0.87950688485932 1.008 15 H 0.64021304714359 0.51971993200290 0.65305142437627 1.008 16 H 0.86666850762664 0.98716162276732 0.34694857562374 1.008 17 H 0.13333149237336 0.48028006799710 0.12049311514069 1.008 18 H 0.64021304714359 0.98716162276732 0.12049311514069 1.008 19 H 0.35978695285641 0.48028006799710 0.34694857562374 1.008 20 H 0.13333149237336 0.01283837723268 0.65305142437627 1.008 21 H 0.86666850762664 0.51971993200290 0.87950688485932 1.008 *22 H 0.38477104885378 0.75201438614454 0.13678543499833 1.008 23 H 0.61522895114622 0.75201438614454 0.36724333729076 1.008 24 H 0.38477104885378 0.24798561385546 0.63275666270924 1.008 25 H 0.61522895114622 0.24798561385546 0.86321456500167 1.008 *26 H 0.16320963065977 0.72788264791499 0.89109227857476 1.008 27 H 0.83679036934023 0.72788264791499 0.56467301725521 1.008 28 H 0.16320963065977 0.27211735208501 0.43532698274479 1.008 29 H 0.83679036934023 0.27211735208501 0.10890772142524 1.008 *30 H 0.40296688407687 0.12957129953461 0.27339558454226 1.008 31 H 0.59703311592313 0.87042870046539 0.72660441545774 1.008 32 H 0.14382428500765 0.87042870046539 0.27339558454226 1.008 33 H 0.85617571499235 0.12957129953461 0.72660441545774 1.008 *34 H 0.09243794679358 0.59243794679358 0.50000000000000 1.008 35 H 0.90756205320642 0.40756205320642 0.50000000000000 1.008 *36 H 0.08652672818210 0.08652672818210 0.00000000000000 1.008 37 H 0.91347327181790 0.91347327181790 0.00000000000000 1.008 *38 H 0.36924655031811 0.36924655031811 0.00000000000000 1.008 39 H 0.63075344968189 0.63075344968189 0.00000000000000 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.739875790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783904600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.744761459999998 Atomic positions (fractional): *1 Ba 0.50000000000000 0.75876604382989 0.85241256786286 137.327 > 1 2 Ba 0.50000000000000 0.24123395617011 0.14758743213715 137.327 > 2 3 Ba 0.50000000000000 0.75876604382989 0.14758743213715 137.327 > 3 4 Ba 0.50000000000000 0.24123395617011 0.85241256786286 137.327 > 4 *5 Ba 0.00000000000000 0.50000000000000 0.85683784654201 137.327 > 5 6 Ba 0.00000000000000 0.50000000000000 0.14316215345799 137.327 > 6 7 Ba 0.00000000000000 0.25876604382989 0.35241256786286 137.327 > 1 8 Ba 0.00000000000000 0.74123395617011 0.64758743213714 137.327 > 2 9 Ba 0.00000000000000 0.25876604382989 0.64758743213714 137.327 > 3 10 Ba 0.00000000000000 0.74123395617011 0.35241256786286 137.327 > 4 11 Ba 0.50000000000000 0.00000000000000 0.35683784654201 137.327 > 5 12 Ba 0.50000000000000 0.00000000000000 0.64316215345799 137.327 > 6 *13 Mg 0.50000000000000 0.50000000000000 0.71856485581856 24.305 > 7 14 Mg 0.50000000000000 0.50000000000000 0.28143514418144 24.305 > 8 *15 Mg 0.00000000000000 0.25676988243615 0.00000000000000 24.305 > 9 16 Mg 0.00000000000000 0.74323011756385 0.00000000000000 24.305 > 10 *17 Mg 0.74402570467989 0.00000000000000 0.00000000000000 24.305 > 11 18 Mg 0.25597429532011 0.00000000000000 0.00000000000000 24.305 > 12 *19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 13 20 Mg 0.00000000000000 0.00000000000000 0.21856485581856 24.305 > 7 21 Mg 0.00000000000000 0.00000000000000 0.78143514418144 24.305 > 8 22 Mg 0.50000000000000 0.75676988243615 0.50000000000000 24.305 > 9 23 Mg 0.50000000000000 0.24323011756385 0.50000000000000 24.305 > 10 24 Mg 0.24402570467989 0.50000000000000 0.50000000000000 24.305 > 11 25 Mg 0.75597429532011 0.50000000000000 0.50000000000000 24.305 > 12 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 13 *27 H 0.26627915461779 0.61322773024152 0.74655922261489 1.008 > 14 28 H 0.26627915461779 0.38677226975848 0.25344077738511 1.008 > 15 29 H 0.73372084538221 0.61322773024152 0.25344077738511 1.008 > 16 30 H 0.73372084538221 0.38677226975848 0.74655922261489 1.008 > 17 31 H 0.73372084538221 0.38677226975848 0.25344077738511 1.008 > 18 32 H 0.73372084538221 0.61322773024152 0.74655922261489 1.008 > 19 33 H 0.26627915461779 0.38677226975848 0.74655922261489 1.008 > 20 34 H 0.26627915461779 0.61322773024152 0.25344077738511 1.008 > 21 *35 H 0.75201438614454 0.38477104885378 0.00000000000000 1.008 > 22 36 H 0.75201438614454 0.61522895114622 0.00000000000000 1.008 > 23 37 H 0.24798561385546 0.38477104885378 0.00000000000000 1.008 > 24 38 H 0.24798561385546 0.61522895114622 0.00000000000000 1.008 > 25 *39 H 0.72788264791499 0.16320963065977 0.00000000000000 1.008 > 26 40 H 0.72788264791499 0.83679036934023 0.00000000000000 1.008 > 27 41 H 0.27211735208501 0.16320963065977 0.00000000000000 1.008 > 28 42 H 0.27211735208501 0.83679036934023 0.00000000000000 1.008 > 29 *43 H 0.00000000000000 0.27339558454226 0.12957129953461 1.008 > 30 44 H 0.00000000000000 0.72660441545774 0.87042870046539 1.008 > 31 45 H 0.00000000000000 0.27339558454226 0.87042870046539 1.008 > 32 46 H 0.00000000000000 0.72660441545774 0.12957129953461 1.008 > 33 *47 H 0.00000000000000 0.50000000000000 0.59243794679358 1.008 > 34 48 H 0.00000000000000 0.50000000000000 0.40756205320642 1.008 > 35 *49 H 0.50000000000000 0.50000000000000 0.58652672818210 1.008 > 36 50 H 0.50000000000000 0.50000000000000 0.41347327181790 1.008 > 37 *51 H 0.50000000000000 0.50000000000000 0.86924655031811 1.008 > 38 52 H 0.50000000000000 0.50000000000000 0.13075344968189 1.008 > 39 53 H 0.76627915461779 0.11322773024152 0.24655922261489 1.008 > 14 54 H 0.76627915461779 0.88677226975848 0.75344077738511 1.008 > 15 55 H 0.23372084538221 0.11322773024152 0.75344077738511 1.008 > 16 56 H 0.23372084538221 0.88677226975848 0.24655922261489 1.008 > 17 57 H 0.23372084538221 0.88677226975848 0.75344077738511 1.008 > 18 58 H 0.23372084538221 0.11322773024152 0.24655922261489 1.008 > 19 59 H 0.76627915461779 0.88677226975848 0.24655922261489 1.008 > 20 60 H 0.76627915461779 0.11322773024152 0.75344077738511 1.008 > 21 61 H 0.25201438614454 0.88477104885378 0.50000000000000 1.008 > 22 62 H 0.25201438614454 0.11522895114622 0.50000000000000 1.008 > 23 63 H 0.74798561385546 0.88477104885378 0.50000000000000 1.008 > 24 64 H 0.74798561385546 0.11522895114622 0.50000000000000 1.008 > 25 65 H 0.22788264791499 0.66320963065977 0.50000000000000 1.008 > 26 66 H 0.22788264791499 0.33679036934023 0.50000000000000 1.008 > 27 67 H 0.77211735208501 0.66320963065977 0.50000000000000 1.008 > 28 68 H 0.77211735208501 0.33679036934023 0.50000000000000 1.008 > 29 69 H 0.50000000000000 0.77339558454226 0.62957129953461 1.008 > 30 70 H 0.50000000000000 0.22660441545774 0.37042870046539 1.008 > 31 71 H 0.50000000000000 0.77339558454226 0.37042870046539 1.008 > 32 72 H 0.50000000000000 0.22660441545774 0.62957129953461 1.008 > 33 73 H 0.50000000000000 0.00000000000000 0.09243794679358 1.008 > 34 74 H 0.50000000000000 0.00000000000000 0.90756205320642 1.008 > 35 75 H 0.00000000000000 0.00000000000000 0.08652672818210 1.008 > 36 76 H 0.00000000000000 0.00000000000000 0.91347327181790 1.008 > 37 77 H 0.00000000000000 0.00000000000000 0.36924655031811 1.008 > 38 78 H 0.00000000000000 0.00000000000000 0.63075344968189 1.008 > 39 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.739875790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783904600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.744761459999998 Atomic positions (fractional): *1 Ba 0.50000000000000 0.75876604382989 0.85241256786286 137.327 > 1 2 Ba 0.50000000000000 0.24123395617011 0.14758743213715 137.327 > 2 3 Ba 0.50000000000000 0.75876604382989 0.14758743213715 137.327 > 3 4 Ba 0.50000000000000 0.24123395617011 0.85241256786286 137.327 > 4 *5 Ba 0.00000000000000 0.50000000000000 0.85683784654201 137.327 > 5 6 Ba 0.00000000000000 0.50000000000000 0.14316215345799 137.327 > 6 7 Ba 0.00000000000000 0.25876604382989 0.35241256786286 137.327 > 1 8 Ba 0.00000000000000 0.74123395617011 0.64758743213714 137.327 > 2 9 Ba 0.00000000000000 0.25876604382989 0.64758743213714 137.327 > 3 10 Ba 0.00000000000000 0.74123395617011 0.35241256786286 137.327 > 4 11 Ba 0.50000000000000 0.00000000000000 0.35683784654201 137.327 > 5 12 Ba 0.50000000000000 0.00000000000000 0.64316215345799 137.327 > 6 *13 Mg 0.50000000000000 0.50000000000000 0.71856485581856 24.305 > 7 14 Mg 0.50000000000000 0.50000000000000 0.28143514418144 24.305 > 8 *15 Mg 0.00000000000000 0.25676988243615 0.00000000000000 24.305 > 9 16 Mg 0.00000000000000 0.74323011756385 0.00000000000000 24.305 > 10 *17 Mg 0.74402570467989 0.00000000000000 0.00000000000000 24.305 > 11 18 Mg 0.25597429532011 0.00000000000000 0.00000000000000 24.305 > 12 *19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 13 20 Mg 0.00000000000000 0.00000000000000 0.21856485581856 24.305 > 7 21 Mg 0.00000000000000 0.00000000000000 0.78143514418144 24.305 > 8 22 Mg 0.50000000000000 0.75676988243615 0.50000000000000 24.305 > 9 23 Mg 0.50000000000000 0.24323011756385 0.50000000000000 24.305 > 10 24 Mg 0.24402570467989 0.50000000000000 0.50000000000000 24.305 > 11 25 Mg 0.75597429532011 0.50000000000000 0.50000000000000 24.305 > 12 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 13 *27 H 0.26627915461779 0.61322773024152 0.74655922261489 1.008 > 14 28 H 0.26627915461779 0.38677226975848 0.25344077738511 1.008 > 15 29 H 0.73372084538221 0.61322773024152 0.25344077738511 1.008 > 16 30 H 0.73372084538221 0.38677226975848 0.74655922261489 1.008 > 17 31 H 0.73372084538221 0.38677226975848 0.25344077738511 1.008 > 18 32 H 0.73372084538221 0.61322773024152 0.74655922261489 1.008 > 19 33 H 0.26627915461779 0.38677226975848 0.74655922261489 1.008 > 20 34 H 0.26627915461779 0.61322773024152 0.25344077738511 1.008 > 21 *35 H 0.75201438614454 0.38477104885378 0.00000000000000 1.008 > 22 36 H 0.75201438614454 0.61522895114622 0.00000000000000 1.008 > 23 37 H 0.24798561385546 0.38477104885378 0.00000000000000 1.008 > 24 38 H 0.24798561385546 0.61522895114622 0.00000000000000 1.008 > 25 *39 H 0.72788264791499 0.16320963065977 0.00000000000000 1.008 > 26 40 H 0.72788264791499 0.83679036934023 0.00000000000000 1.008 > 27 41 H 0.27211735208501 0.16320963065977 0.00000000000000 1.008 > 28 42 H 0.27211735208501 0.83679036934023 0.00000000000000 1.008 > 29 *43 H 0.00000000000000 0.27339558454226 0.12957129953461 1.008 > 30 44 H 0.00000000000000 0.72660441545774 0.87042870046539 1.008 > 31 45 H 0.00000000000000 0.27339558454226 0.87042870046539 1.008 > 32 46 H 0.00000000000000 0.72660441545774 0.12957129953461 1.008 > 33 *47 H 0.00000000000000 0.50000000000000 0.59243794679358 1.008 > 34 48 H 0.00000000000000 0.50000000000000 0.40756205320642 1.008 > 35 *49 H 0.50000000000000 0.50000000000000 0.58652672818210 1.008 > 36 50 H 0.50000000000000 0.50000000000000 0.41347327181790 1.008 > 37 *51 H 0.50000000000000 0.50000000000000 0.86924655031811 1.008 > 38 52 H 0.50000000000000 0.50000000000000 0.13075344968189 1.008 > 39 53 H 0.76627915461779 0.11322773024152 0.24655922261489 1.008 > 14 54 H 0.76627915461779 0.88677226975848 0.75344077738511 1.008 > 15 55 H 0.23372084538221 0.11322773024152 0.75344077738511 1.008 > 16 56 H 0.23372084538221 0.88677226975848 0.24655922261489 1.008 > 17 57 H 0.23372084538221 0.88677226975848 0.75344077738511 1.008 > 18 58 H 0.23372084538221 0.11322773024152 0.24655922261489 1.008 > 19 59 H 0.76627915461779 0.88677226975848 0.24655922261489 1.008 > 20 60 H 0.76627915461779 0.11322773024152 0.75344077738511 1.008 > 21 61 H 0.25201438614454 0.88477104885378 0.50000000000000 1.008 > 22 62 H 0.25201438614454 0.11522895114622 0.50000000000000 1.008 > 23 63 H 0.74798561385546 0.88477104885378 0.50000000000000 1.008 > 24 64 H 0.74798561385546 0.11522895114622 0.50000000000000 1.008 > 25 65 H 0.22788264791499 0.66320963065977 0.50000000000000 1.008 > 26 66 H 0.22788264791499 0.33679036934023 0.50000000000000 1.008 > 27 67 H 0.77211735208501 0.66320963065977 0.50000000000000 1.008 > 28 68 H 0.77211735208501 0.33679036934023 0.50000000000000 1.008 > 29 69 H 0.50000000000000 0.77339558454226 0.62957129953461 1.008 > 30 70 H 0.50000000000000 0.22660441545774 0.37042870046539 1.008 > 31 71 H 0.50000000000000 0.77339558454226 0.37042870046539 1.008 > 32 72 H 0.50000000000000 0.22660441545774 0.62957129953461 1.008 > 33 73 H 0.50000000000000 0.00000000000000 0.09243794679358 1.008 > 34 74 H 0.50000000000000 0.00000000000000 0.90756205320642 1.008 > 35 75 H 0.00000000000000 0.00000000000000 0.08652672818210 1.008 > 36 76 H 0.00000000000000 0.00000000000000 0.91347327181790 1.008 > 37 77 H 0.00000000000000 0.00000000000000 0.36924655031811 1.008 > 38 78 H 0.00000000000000 0.00000000000000 0.63075344968189 1.008 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3988005 0.0000000 0.0000000 0.0000000 4.8650518 0.0000000 0.0000000 0.0000000 4.8392306 -------------------------- Born effective charges -------------------------- 1 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 2 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 3 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 4 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 5 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 6 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 7 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 8 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 9 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 10 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 11 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 12 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 13 Mg 1.9310218 0.0000000 0.0000000 0.0000000 1.5310905 0.0000000 0.0000000 0.0000000 1.6658403 14 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 15 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 16 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 17 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 18 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 19 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 20 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 21 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 22 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 23 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 24 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 25 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 26 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 27 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 28 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 29 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 30 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 31 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 32 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 33 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 34 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 35 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 36 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 37 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 38 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 39 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 ---------------------------------------------------------------------------- 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: 234/234 Permutation basis: 17055/17055 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1944 Number of blocks in projector: 1946 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: 376 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1944, 1891), data: False |-- (240, 238), data: True |-- (296, 290), data: True |-- (344, 331), data: True |-- (344, 331), data: True |-- (344, 331), data: True |-- (376, 370), data: True ----- Solver_atoms: 1 -- 78 / 78 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 2.173 Solver_block: 200 / 640 - Time: 2.167 Solver_block: 300 / 640 - Time: 2.164 Solver_block: 400 / 640 - Time: 2.166 Solver_block: 500 / 640 - Time: 2.165 Solver_block: 600 / 640 - Time: 2.164 Solver_block: 640 / 640 - Time: 0.940 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.989 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 234/234 Permutation basis: 17055/17055 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1944 Number of blocks in projector: 1946 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: 376 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1944, 1891), data: False |-- (240, 238), data: True |-- (296, 290), data: True |-- (344, 331), data: True |-- (344, 331), data: True |-- (344, 331), data: True |-- (376, 370), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:59:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:59:37]------------------------- 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 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.869937895000000 5.891952300000000 7.372380729999999 b 2.869937895000000 -5.891952300000000 7.372380729999999 c 2.869937895000000 5.891952300000000 -7.372380729999999 Atomic positions (fractional): 1 Ba 0.61117861169274 0.35241256786286 0.25876604382989 137.327 2 Ba 0.38882138830726 0.64758743213714 0.74123395617011 137.327 3 Ba 0.90635347596703 0.64758743213714 0.25876604382989 137.327 4 Ba 0.09364652403297 0.35241256786286 0.74123395617011 137.327 5 Ba 0.35683784654201 0.85683784654201 0.50000000000000 137.327 6 Ba 0.64316215345799 0.14316215345799 0.50000000000000 137.327 7 Mg 0.21856485581857 0.21856485581857 0.00000000000000 24.305 8 Mg 0.78143514418144 0.78143514418144 0.00000000000000 24.305 9 Mg 0.25676988243615 0.00000000000000 0.25676988243615 24.305 10 Mg 0.74323011756385 0.00000000000000 0.74323011756385 24.305 11 Mg 0.00000000000000 0.74402570467989 0.74402570467989 24.305 12 Mg 0.00000000000000 0.25597429532011 0.25597429532011 24.305 13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 14 H 0.35978695285641 0.01283837723268 0.87950688485932 1.008 15 H 0.64021304714359 0.51971993200290 0.65305142437627 1.008 16 H 0.86666850762664 0.98716162276732 0.34694857562374 1.008 17 H 0.13333149237336 0.48028006799710 0.12049311514069 1.008 18 H 0.64021304714359 0.98716162276732 0.12049311514069 1.008 19 H 0.35978695285641 0.48028006799710 0.34694857562374 1.008 20 H 0.13333149237336 0.01283837723268 0.65305142437627 1.008 21 H 0.86666850762664 0.51971993200290 0.87950688485932 1.008 22 H 0.38477104885378 0.75201438614454 0.13678543499833 1.008 23 H 0.61522895114622 0.75201438614454 0.36724333729076 1.008 24 H 0.38477104885378 0.24798561385546 0.63275666270924 1.008 25 H 0.61522895114622 0.24798561385546 0.86321456500167 1.008 26 H 0.16320963065977 0.72788264791499 0.89109227857476 1.008 27 H 0.83679036934023 0.72788264791499 0.56467301725521 1.008 28 H 0.16320963065977 0.27211735208501 0.43532698274479 1.008 29 H 0.83679036934023 0.27211735208501 0.10890772142524 1.008 30 H 0.40296688407687 0.12957129953461 0.27339558454226 1.008 31 H 0.59703311592313 0.87042870046539 0.72660441545774 1.008 32 H 0.14382428500765 0.87042870046539 0.27339558454226 1.008 33 H 0.85617571499235 0.12957129953461 0.72660441545774 1.008 34 H 0.09243794679358 0.59243794679358 0.50000000000000 1.008 35 H 0.90756205320642 0.40756205320642 0.50000000000000 1.008 36 H 0.08652672818210 0.08652672818210 0.00000000000000 1.008 37 H 0.91347327181790 0.91347327181790 0.00000000000000 1.008 38 H 0.36924655031811 0.36924655031811 0.00000000000000 1.008 39 H 0.63075344968189 0.63075344968189 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.739875790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783904600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.744761459999998 Atomic positions (fractional): 1 Ba 0.50000000000000 0.75876604382989 0.85241256786286 137.327 > 1 2 Ba 0.50000000000000 0.24123395617011 0.14758743213715 137.327 > 2 3 Ba 0.50000000000000 0.75876604382989 0.14758743213715 137.327 > 3 4 Ba 0.50000000000000 0.24123395617011 0.85241256786286 137.327 > 4 5 Ba 0.00000000000000 0.50000000000000 0.85683784654201 137.327 > 5 6 Ba 0.00000000000000 0.50000000000000 0.14316215345799 137.327 > 6 7 Ba 0.00000000000000 0.25876604382989 0.35241256786286 137.327 > 1 8 Ba 0.00000000000000 0.74123395617011 0.64758743213714 137.327 > 2 9 Ba 0.00000000000000 0.25876604382989 0.64758743213714 137.327 > 3 10 Ba 0.00000000000000 0.74123395617011 0.35241256786286 137.327 > 4 11 Ba 0.50000000000000 0.00000000000000 0.35683784654201 137.327 > 5 12 Ba 0.50000000000000 0.00000000000000 0.64316215345799 137.327 > 6 13 Mg 0.50000000000000 0.50000000000000 0.71856485581856 24.305 > 13 14 Mg 0.50000000000000 0.50000000000000 0.28143514418144 24.305 > 14 15 Mg 0.00000000000000 0.25676988243615 0.00000000000000 24.305 > 15 16 Mg 0.00000000000000 0.74323011756385 0.00000000000000 24.305 > 16 17 Mg 0.74402570467989 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.25597429532011 0.00000000000000 0.00000000000000 24.305 > 18 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 19 20 Mg 0.00000000000000 0.00000000000000 0.21856485581856 24.305 > 13 21 Mg 0.00000000000000 0.00000000000000 0.78143514418144 24.305 > 14 22 Mg 0.50000000000000 0.75676988243615 0.50000000000000 24.305 > 15 23 Mg 0.50000000000000 0.24323011756385 0.50000000000000 24.305 > 16 24 Mg 0.24402570467989 0.50000000000000 0.50000000000000 24.305 > 17 25 Mg 0.75597429532011 0.50000000000000 0.50000000000000 24.305 > 18 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 19 27 H 0.26627915461779 0.61322773024152 0.74655922261489 1.008 > 27 28 H 0.26627915461779 0.38677226975848 0.25344077738511 1.008 > 28 29 H 0.73372084538221 0.61322773024152 0.25344077738511 1.008 > 29 30 H 0.73372084538221 0.38677226975848 0.74655922261489 1.008 > 30 31 H 0.73372084538221 0.38677226975848 0.25344077738511 1.008 > 31 32 H 0.73372084538221 0.61322773024152 0.74655922261489 1.008 > 32 33 H 0.26627915461779 0.38677226975848 0.74655922261489 1.008 > 33 34 H 0.26627915461779 0.61322773024152 0.25344077738511 1.008 > 34 35 H 0.75201438614454 0.38477104885378 0.00000000000000 1.008 > 35 36 H 0.75201438614454 0.61522895114622 0.00000000000000 1.008 > 36 37 H 0.24798561385546 0.38477104885378 0.00000000000000 1.008 > 37 38 H 0.24798561385546 0.61522895114622 0.00000000000000 1.008 > 38 39 H 0.72788264791499 0.16320963065977 0.00000000000000 1.008 > 39 40 H 0.72788264791499 0.83679036934023 0.00000000000000 1.008 > 40 41 H 0.27211735208501 0.16320963065977 0.00000000000000 1.008 > 41 42 H 0.27211735208501 0.83679036934023 0.00000000000000 1.008 > 42 43 H 0.00000000000000 0.27339558454226 0.12957129953461 1.008 > 43 44 H 0.00000000000000 0.72660441545774 0.87042870046539 1.008 > 44 45 H 0.00000000000000 0.27339558454226 0.87042870046539 1.008 > 45 46 H 0.00000000000000 0.72660441545774 0.12957129953461 1.008 > 46 47 H 0.00000000000000 0.50000000000000 0.59243794679358 1.008 > 47 48 H 0.00000000000000 0.50000000000000 0.40756205320642 1.008 > 48 49 H 0.50000000000000 0.50000000000000 0.58652672818210 1.008 > 49 50 H 0.50000000000000 0.50000000000000 0.41347327181790 1.008 > 50 51 H 0.50000000000000 0.50000000000000 0.86924655031811 1.008 > 51 52 H 0.50000000000000 0.50000000000000 0.13075344968189 1.008 > 52 53 H 0.76627915461779 0.11322773024152 0.24655922261489 1.008 > 27 54 H 0.76627915461779 0.88677226975848 0.75344077738511 1.008 > 28 55 H 0.23372084538221 0.11322773024152 0.75344077738511 1.008 > 29 56 H 0.23372084538221 0.88677226975848 0.24655922261489 1.008 > 30 57 H 0.23372084538221 0.88677226975848 0.75344077738511 1.008 > 31 58 H 0.23372084538221 0.11322773024152 0.24655922261489 1.008 > 32 59 H 0.76627915461779 0.88677226975848 0.24655922261489 1.008 > 33 60 H 0.76627915461779 0.11322773024152 0.75344077738511 1.008 > 34 61 H 0.25201438614454 0.88477104885378 0.50000000000000 1.008 > 35 62 H 0.25201438614454 0.11522895114622 0.50000000000000 1.008 > 36 63 H 0.74798561385546 0.88477104885378 0.50000000000000 1.008 > 37 64 H 0.74798561385546 0.11522895114622 0.50000000000000 1.008 > 38 65 H 0.22788264791499 0.66320963065977 0.50000000000000 1.008 > 39 66 H 0.22788264791499 0.33679036934023 0.50000000000000 1.008 > 40 67 H 0.77211735208501 0.66320963065977 0.50000000000000 1.008 > 41 68 H 0.77211735208501 0.33679036934023 0.50000000000000 1.008 > 42 69 H 0.50000000000000 0.77339558454226 0.62957129953461 1.008 > 43 70 H 0.50000000000000 0.22660441545774 0.37042870046539 1.008 > 44 71 H 0.50000000000000 0.77339558454226 0.37042870046539 1.008 > 45 72 H 0.50000000000000 0.22660441545774 0.62957129953461 1.008 > 46 73 H 0.50000000000000 0.00000000000000 0.09243794679358 1.008 > 47 74 H 0.50000000000000 0.00000000000000 0.90756205320642 1.008 > 48 75 H 0.00000000000000 0.00000000000000 0.08652672818210 1.008 > 49 76 H 0.00000000000000 0.00000000000000 0.91347327181790 1.008 > 50 77 H 0.00000000000000 0.00000000000000 0.36924655031811 1.008 > 51 78 H 0.00000000000000 0.00000000000000 0.63075344968189 1.008 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3988005 0.0000000 0.0000000 0.0000000 4.8650518 0.0000000 0.0000000 0.0000000 4.8392306 -------------------------- Born effective charges -------------------------- 1 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 2 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 3 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 4 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 5 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 6 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 7 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 8 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 9 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 10 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 11 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 12 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 13 Mg 1.9310218 0.0000000 0.0000000 0.0000000 1.5310905 0.0000000 0.0000000 0.0000000 1.6658403 14 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 15 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 16 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 17 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 18 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 19 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 20 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 21 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 22 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 23 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 24 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 25 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 26 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 27 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 28 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 29 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 30 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 31 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 32 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 33 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 34 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 35 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 36 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 37 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 38 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 39 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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[ 15, 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[ 19, 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[ 27, 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[ 35, 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[ 39, 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[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:59:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:00:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.869937895000000 5.891952300000000 7.372380729999999 b 2.869937895000000 -5.891952300000000 7.372380729999999 c 2.869937895000000 5.891952300000000 -7.372380729999999 Atomic positions (fractional): 1 Ba 0.61117861169274 0.35241256786286 0.25876604382989 137.327 2 Ba 0.38882138830726 0.64758743213714 0.74123395617011 137.327 3 Ba 0.90635347596703 0.64758743213714 0.25876604382989 137.327 4 Ba 0.09364652403297 0.35241256786286 0.74123395617011 137.327 5 Ba 0.35683784654201 0.85683784654201 0.50000000000000 137.327 6 Ba 0.64316215345799 0.14316215345799 0.50000000000000 137.327 7 Mg 0.21856485581857 0.21856485581857 0.00000000000000 24.305 8 Mg 0.78143514418144 0.78143514418144 0.00000000000000 24.305 9 Mg 0.25676988243615 0.00000000000000 0.25676988243615 24.305 10 Mg 0.74323011756385 0.00000000000000 0.74323011756385 24.305 11 Mg 0.00000000000000 0.74402570467989 0.74402570467989 24.305 12 Mg 0.00000000000000 0.25597429532011 0.25597429532011 24.305 13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 14 H 0.35978695285641 0.01283837723268 0.87950688485932 1.008 15 H 0.64021304714359 0.51971993200290 0.65305142437627 1.008 16 H 0.86666850762664 0.98716162276732 0.34694857562374 1.008 17 H 0.13333149237336 0.48028006799710 0.12049311514069 1.008 18 H 0.64021304714359 0.98716162276732 0.12049311514069 1.008 19 H 0.35978695285641 0.48028006799710 0.34694857562374 1.008 20 H 0.13333149237336 0.01283837723268 0.65305142437627 1.008 21 H 0.86666850762664 0.51971993200290 0.87950688485932 1.008 22 H 0.38477104885378 0.75201438614454 0.13678543499833 1.008 23 H 0.61522895114622 0.75201438614454 0.36724333729076 1.008 24 H 0.38477104885378 0.24798561385546 0.63275666270924 1.008 25 H 0.61522895114622 0.24798561385546 0.86321456500167 1.008 26 H 0.16320963065977 0.72788264791499 0.89109227857476 1.008 27 H 0.83679036934023 0.72788264791499 0.56467301725521 1.008 28 H 0.16320963065977 0.27211735208501 0.43532698274479 1.008 29 H 0.83679036934023 0.27211735208501 0.10890772142524 1.008 30 H 0.40296688407687 0.12957129953461 0.27339558454226 1.008 31 H 0.59703311592313 0.87042870046539 0.72660441545774 1.008 32 H 0.14382428500765 0.87042870046539 0.27339558454226 1.008 33 H 0.85617571499235 0.12957129953461 0.72660441545774 1.008 34 H 0.09243794679358 0.59243794679358 0.50000000000000 1.008 35 H 0.90756205320642 0.40756205320642 0.50000000000000 1.008 36 H 0.08652672818210 0.08652672818210 0.00000000000000 1.008 37 H 0.91347327181790 0.91347327181790 0.00000000000000 1.008 38 H 0.36924655031811 0.36924655031811 0.00000000000000 1.008 39 H 0.63075344968189 0.63075344968189 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.739875790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783904600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.744761459999998 Atomic positions (fractional): 1 Ba 0.50000000000000 0.75876604382989 0.85241256786286 137.327 > 1 2 Ba 0.50000000000000 0.24123395617011 0.14758743213715 137.327 > 2 3 Ba 0.50000000000000 0.75876604382989 0.14758743213715 137.327 > 3 4 Ba 0.50000000000000 0.24123395617011 0.85241256786286 137.327 > 4 5 Ba 0.00000000000000 0.50000000000000 0.85683784654201 137.327 > 5 6 Ba 0.00000000000000 0.50000000000000 0.14316215345799 137.327 > 6 7 Ba 0.00000000000000 0.25876604382989 0.35241256786286 137.327 > 1 8 Ba 0.00000000000000 0.74123395617011 0.64758743213714 137.327 > 2 9 Ba 0.00000000000000 0.25876604382989 0.64758743213714 137.327 > 3 10 Ba 0.00000000000000 0.74123395617011 0.35241256786286 137.327 > 4 11 Ba 0.50000000000000 0.00000000000000 0.35683784654201 137.327 > 5 12 Ba 0.50000000000000 0.00000000000000 0.64316215345799 137.327 > 6 13 Mg 0.50000000000000 0.50000000000000 0.71856485581856 24.305 > 13 14 Mg 0.50000000000000 0.50000000000000 0.28143514418144 24.305 > 14 15 Mg 0.00000000000000 0.25676988243615 0.00000000000000 24.305 > 15 16 Mg 0.00000000000000 0.74323011756385 0.00000000000000 24.305 > 16 17 Mg 0.74402570467989 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.25597429532011 0.00000000000000 0.00000000000000 24.305 > 18 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 19 20 Mg 0.00000000000000 0.00000000000000 0.21856485581856 24.305 > 13 21 Mg 0.00000000000000 0.00000000000000 0.78143514418144 24.305 > 14 22 Mg 0.50000000000000 0.75676988243615 0.50000000000000 24.305 > 15 23 Mg 0.50000000000000 0.24323011756385 0.50000000000000 24.305 > 16 24 Mg 0.24402570467989 0.50000000000000 0.50000000000000 24.305 > 17 25 Mg 0.75597429532011 0.50000000000000 0.50000000000000 24.305 > 18 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 19 27 H 0.26627915461779 0.61322773024152 0.74655922261489 1.008 > 27 28 H 0.26627915461779 0.38677226975848 0.25344077738511 1.008 > 28 29 H 0.73372084538221 0.61322773024152 0.25344077738511 1.008 > 29 30 H 0.73372084538221 0.38677226975848 0.74655922261489 1.008 > 30 31 H 0.73372084538221 0.38677226975848 0.25344077738511 1.008 > 31 32 H 0.73372084538221 0.61322773024152 0.74655922261489 1.008 > 32 33 H 0.26627915461779 0.38677226975848 0.74655922261489 1.008 > 33 34 H 0.26627915461779 0.61322773024152 0.25344077738511 1.008 > 34 35 H 0.75201438614454 0.38477104885378 0.00000000000000 1.008 > 35 36 H 0.75201438614454 0.61522895114622 0.00000000000000 1.008 > 36 37 H 0.24798561385546 0.38477104885378 0.00000000000000 1.008 > 37 38 H 0.24798561385546 0.61522895114622 0.00000000000000 1.008 > 38 39 H 0.72788264791499 0.16320963065977 0.00000000000000 1.008 > 39 40 H 0.72788264791499 0.83679036934023 0.00000000000000 1.008 > 40 41 H 0.27211735208501 0.16320963065977 0.00000000000000 1.008 > 41 42 H 0.27211735208501 0.83679036934023 0.00000000000000 1.008 > 42 43 H 0.00000000000000 0.27339558454226 0.12957129953461 1.008 > 43 44 H 0.00000000000000 0.72660441545774 0.87042870046539 1.008 > 44 45 H 0.00000000000000 0.27339558454226 0.87042870046539 1.008 > 45 46 H 0.00000000000000 0.72660441545774 0.12957129953461 1.008 > 46 47 H 0.00000000000000 0.50000000000000 0.59243794679358 1.008 > 47 48 H 0.00000000000000 0.50000000000000 0.40756205320642 1.008 > 48 49 H 0.50000000000000 0.50000000000000 0.58652672818210 1.008 > 49 50 H 0.50000000000000 0.50000000000000 0.41347327181790 1.008 > 50 51 H 0.50000000000000 0.50000000000000 0.86924655031811 1.008 > 51 52 H 0.50000000000000 0.50000000000000 0.13075344968189 1.008 > 52 53 H 0.76627915461779 0.11322773024152 0.24655922261489 1.008 > 27 54 H 0.76627915461779 0.88677226975848 0.75344077738511 1.008 > 28 55 H 0.23372084538221 0.11322773024152 0.75344077738511 1.008 > 29 56 H 0.23372084538221 0.88677226975848 0.24655922261489 1.008 > 30 57 H 0.23372084538221 0.88677226975848 0.75344077738511 1.008 > 31 58 H 0.23372084538221 0.11322773024152 0.24655922261489 1.008 > 32 59 H 0.76627915461779 0.88677226975848 0.24655922261489 1.008 > 33 60 H 0.76627915461779 0.11322773024152 0.75344077738511 1.008 > 34 61 H 0.25201438614454 0.88477104885378 0.50000000000000 1.008 > 35 62 H 0.25201438614454 0.11522895114622 0.50000000000000 1.008 > 36 63 H 0.74798561385546 0.88477104885378 0.50000000000000 1.008 > 37 64 H 0.74798561385546 0.11522895114622 0.50000000000000 1.008 > 38 65 H 0.22788264791499 0.66320963065977 0.50000000000000 1.008 > 39 66 H 0.22788264791499 0.33679036934023 0.50000000000000 1.008 > 40 67 H 0.77211735208501 0.66320963065977 0.50000000000000 1.008 > 41 68 H 0.77211735208501 0.33679036934023 0.50000000000000 1.008 > 42 69 H 0.50000000000000 0.77339558454226 0.62957129953461 1.008 > 43 70 H 0.50000000000000 0.22660441545774 0.37042870046539 1.008 > 44 71 H 0.50000000000000 0.77339558454226 0.37042870046539 1.008 > 45 72 H 0.50000000000000 0.22660441545774 0.62957129953461 1.008 > 46 73 H 0.50000000000000 0.00000000000000 0.09243794679358 1.008 > 47 74 H 0.50000000000000 0.00000000000000 0.90756205320642 1.008 > 48 75 H 0.00000000000000 0.00000000000000 0.08652672818210 1.008 > 49 76 H 0.00000000000000 0.00000000000000 0.91347327181790 1.008 > 50 77 H 0.00000000000000 0.00000000000000 0.36924655031811 1.008 > 51 78 H 0.00000000000000 0.00000000000000 0.63075344968189 1.008 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3988005 0.0000000 0.0000000 0.0000000 4.8650518 0.0000000 0.0000000 0.0000000 4.8392306 -------------------------- Born effective charges -------------------------- 1 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 2 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 -0.0433617 0.0000000 -0.0009702 2.5016148 3 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 4 Ba 2.4932954 0.0000000 0.0000000 0.0000000 2.4359252 0.0433617 0.0000000 0.0009702 2.5016148 5 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 6 Ba 2.4638563 0.0000000 0.0000000 0.0000000 2.1174528 0.0000000 0.0000000 0.0000000 2.0586096 7 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 8 Mg 1.8972574 0.0000000 0.0000000 0.0000000 1.8101845 0.0000000 0.0000000 0.0000000 2.0679347 9 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 10 Mg 1.8509552 0.0000000 0.0000000 0.0000000 1.8105142 0.0000000 0.0000000 0.0000000 1.6661772 11 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 12 Mg 1.9542537 0.0000000 0.0000000 0.0000000 1.9073950 0.0000000 0.0000000 0.0000000 1.5635296 13 Mg 1.9310218 0.0000000 0.0000000 0.0000000 1.5310905 0.0000000 0.0000000 0.0000000 1.6658403 14 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 15 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 16 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 17 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 18 H -1.0224307 0.0272931 0.0056756 0.0196850 -1.0374685 0.1005891 -0.0606868 0.0985847 -0.9993507 19 H -1.0224307 -0.0272931 -0.0056756 -0.0196850 -1.0374685 0.1005891 0.0606868 0.0985847 -0.9993507 20 H -1.0224307 -0.0272931 0.0056756 -0.0196850 -1.0374685 -0.1005891 -0.0606868 -0.0985847 -0.9993507 21 H -1.0224307 0.0272931 -0.0056756 0.0196850 -1.0374685 -0.1005891 0.0606868 -0.0985847 -0.9993507 22 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 23 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 24 H -1.2223305 -0.0427635 0.0000000 -0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 25 H -1.2223305 0.0427635 0.0000000 0.0515153 -1.0745321 0.0000000 0.0000000 0.0000000 -1.0395983 26 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 27 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 28 H -0.9234467 0.0346853 0.0000000 0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 29 H -0.9234467 -0.0346853 0.0000000 -0.0467539 -1.1067339 0.0000000 0.0000000 0.0000000 -0.9173654 30 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 31 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 -0.0007046 0.0000000 0.0103231 -1.0212093 32 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 33 H -1.3139810 0.0000000 0.0000000 0.0000000 -0.9690943 0.0007046 0.0000000 -0.0103231 -1.0212093 34 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 35 H -0.8914466 0.0000000 0.0000000 0.0000000 -1.0848691 0.0000000 0.0000000 0.0000000 -0.9636834 36 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 37 H -0.9293952 0.0000000 0.0000000 0.0000000 -0.7727526 0.0000000 0.0000000 0.0000000 -1.2009677 38 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 39 H -1.2883432 0.0000000 0.0000000 0.0000000 -0.9747257 0.0000000 0.0000000 0.0000000 -1.0740009 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (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 ... Generalized regular grid: [ 1 3 72 ] Grid generation matrix: [ 0 9 9 ] [ 4 0 4 ] [ 3 3 0 ] 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: 0.52, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 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 1.025 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 13.387 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 16.905 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 17.273 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 17.506 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 18.846 ( 0.000 0.000 0.000) 0.000 19.155 ( 0.000 0.000 0.000) 0.000 19.187 ( 0.000 0.000 0.000) 0.000 19.887 ( 0.000 0.000 0.000) 0.000 20.084 ( 0.000 0.000 0.000) 0.000 20.189 ( 0.000 0.000 0.000) 0.000 20.456 ( 0.000 0.000 0.000) 0.000 20.687 ( 0.000 0.000 0.000) 0.000 20.727 ( 0.000 0.000 0.000) 0.000 21.030 ( 0.000 0.000 0.000) 0.000 21.194 ( 0.000 0.000 0.000) 0.000 21.294 ( 0.000 0.000 0.000) 0.000 22.645 ( 0.000 0.000 0.000) 0.000 22.800 ( 0.000 0.000 0.000) 0.000 22.888 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 23.030 ( 0.000 0.000 0.000) 0.000 23.255 ( 0.000 0.000 0.000) 0.000 23.350 ( 0.000 0.000 0.000) 0.000 23.360 ( 0.000 0.000 0.000) 0.000 23.599 ( 0.000 0.000 0.000) 0.000 23.757 ( 0.000 0.000 0.000) 0.000 23.806 ( 0.000 0.000 0.000) 0.000 24.130 ( 0.000 0.000 0.000) 0.000 24.483 ( 0.000 0.000 0.000) 0.000 24.616 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 25.883 ( 0.000 0.000 0.000) 0.000 26.286 ( 0.000 0.000 0.000) 0.000 27.348 ( 0.000 0.000 0.000) 0.000 27.529 ( 0.000 0.000 0.000) 0.000 27.541 ( 0.000 0.000 0.000) 0.000 27.866 ( 0.000 0.000 0.000) 0.000 28.121 ( 0.000 0.000 0.000) 0.000 28.404 ( 0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 28.701 ( 0.000 0.000 0.000) 0.000 30.061 ( 0.000 0.000 0.000) 0.000 30.189 ( 0.000 0.000 0.000) 0.000 30.587 ( 0.000 0.000 0.000) 0.000 30.676 ( 0.000 0.000 0.000) 0.000 31.746 ( 0.000 0.000 0.000) 0.000 31.752 ( 0.000 0.000 0.000) 0.000 31.953 ( 0.000 0.000 0.000) 0.000 32.178 ( 0.000 0.000 0.000) 0.000 32.978 ( 0.000 0.000 0.000) 0.000 33.124 ( 0.000 0.000 0.000) 0.000 33.513 ( 0.000 0.000 0.000) 0.000 33.697 ( 0.000 0.000 0.000) 0.000 33.844 ( 0.000 0.000 0.000) 0.000 33.952 ( 0.000 0.000 0.000) 0.000 34.092 ( 0.000 0.000 0.000) 0.000 34.657 ( 0.000 0.000 0.000) 0.000 34.781 ( 0.000 0.000 0.000) 0.000 35.444 ( 0.000 0.000 0.000) 0.000 35.547 ( 0.000 0.000 0.000) 0.000 36.517 ( 0.000 0.000 0.000) 0.000 38.386 ( 0.000 0.000 0.000) 0.000 38.428 ( 0.000 0.000 0.000) 0.000 39.019 ( 0.000 0.000 0.000) 0.000 39.072 ( 0.000 0.000 0.000) 0.000 39.882 ( 0.000 0.000 0.000) 0.000 40.192 ( 0.000 0.000 0.000) 0.000 41.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 17.779 -0.000 5.602) 18.641 1.735 ( 17.523 -0.000 4.847) 18.181 1.865 ( 10.221 -0.000 5.302) 11.514 2.104 ( 4.767 0.000 -3.360) 5.832 2.178 ( -1.658 0.000 -0.901) 1.887 2.206 ( 0.811 -0.000 1.875) 2.043 2.302 ( 1.494 0.000 -0.455) 1.561 2.367 ( 11.070 -0.000 4.230) 11.851 2.371 ( 6.072 0.000 -2.336) 6.506 2.556 ( 2.597 -0.000 5.515) 6.096 2.621 ( -2.316 -0.000 2.065) 3.103 2.778 ( 0.951 -0.000 0.423) 1.041 2.827 ( 3.364 -0.000 0.463) 3.396 2.912 ( 3.616 0.000 -1.951) 4.109 2.926 ( 0.464 0.000 -1.157) 1.247 2.971 ( 4.426 0.000 -0.081) 4.427 3.083 ( -1.250 0.000 -4.309) 4.486 3.185 ( -1.307 -0.000 0.653) 1.461 3.895 ( -11.649 0.000 -2.350) 11.883 4.680 ( 13.663 0.000 -0.416) 13.669 4.693 ( 8.641 0.000 -0.560) 8.659 5.275 ( -4.982 0.000 -0.529) 5.010 5.635 ( 7.276 0.000 0.071) 7.277 5.827 ( 1.019 0.000 -4.441) 4.556 6.002 ( -1.487 -0.000 1.649) 2.221 6.060 ( 5.869 -0.000 3.472) 6.819 6.213 ( -0.834 0.000 -1.168) 1.435 6.236 ( -0.266 0.000 -0.777) 0.822 6.436 ( 11.492 0.000 -1.994) 11.664 6.505 ( 0.079 -0.000 9.716) 9.717 6.827 ( 0.943 0.000 -4.196) 4.300 6.921 ( -2.959 -0.000 3.823) 4.835 6.947 ( -4.247 -0.000 2.172) 4.770 7.266 ( -8.313 0.000 -9.055) 12.292 7.269 ( 1.009 0.000 -3.169) 3.326 7.370 ( 9.343 0.000 -0.761) 9.374 7.538 ( -6.121 -0.000 2.220) 6.511 7.703 ( 4.274 0.000 0.314) 4.285 11.188 ( -14.131 -0.000 -0.072) 14.131 11.665 ( -2.214 -0.000 13.084) 13.270 12.761 ( 3.561 0.000 -1.699) 3.946 13.887 ( 10.115 0.000 -5.184) 11.366 13.994 ( 22.443 0.000 -10.627) 24.832 14.849 ( -1.312 -0.000 6.584) 6.713 15.178 ( 23.889 0.000 0.832) 23.903 15.416 ( -27.327 -0.000 8.208) 28.534 15.799 ( 3.876 -0.000 6.127) 7.250 16.558 ( -5.967 0.000 -2.776) 6.582 17.227 ( -2.111 0.000 -7.086) 7.394 17.581 ( -4.142 -0.000 -0.328) 4.155 17.752 ( -8.654 0.000 -3.912) 9.497 17.966 ( 0.249 -0.000 1.915) 1.931 18.447 ( 17.252 0.000 -14.748) 22.696 18.868 ( 6.143 0.000 -1.990) 6.458 19.103 ( -2.969 -0.000 10.116) 10.543 19.627 ( 8.198 0.000 -8.512) 11.818 19.809 ( 0.284 -0.000 4.968) 4.977 20.158 ( 0.206 0.000 -2.802) 2.810 20.220 ( -10.059 0.000 -2.811) 10.444 20.530 ( -10.832 0.000 -6.793) 12.786 20.708 ( -0.188 -0.000 4.478) 4.482 20.755 ( 1.786 0.000 -0.895) 1.998 21.127 ( -1.856 0.000 -3.715) 4.153 21.781 ( -1.972 -0.000 36.677) 36.730 21.949 ( 16.614 -0.000 9.509) 19.143 22.063 ( -4.478 -0.000 2.326) 5.046 22.408 ( -5.807 0.000 -1.449) 5.985 22.694 ( -4.134 0.000 -7.133) 8.244 23.091 ( -12.216 0.000 -4.692) 13.085 23.244 ( -3.124 0.000 -12.312) 12.702 23.297 ( -0.661 0.000 -1.037) 1.230 23.567 ( 0.151 -0.000 3.921) 3.924 23.602 ( 8.872 -0.000 4.242) 9.834 23.740 ( 1.271 -0.000 2.369) 2.688 23.857 ( 7.341 -0.000 8.551) 11.270 24.479 ( 8.185 0.000 -7.443) 11.063 24.823 ( 14.778 -0.000 1.484) 14.853 24.900 ( 3.782 -0.000 6.626) 7.630 25.197 ( -6.377 -0.000 3.146) 7.111 25.422 ( 0.195 -0.000 1.431) 1.444 25.721 ( -16.921 0.000 -9.103) 19.214 26.320 ( -16.131 0.000 -11.456) 19.785 26.746 ( -21.705 -0.000 4.373) 22.141 26.795 ( -2.515 -0.000 3.794) 4.552 27.280 ( -13.933 -0.000 1.699) 14.036 28.132 ( 1.080 0.000 -0.676) 1.274 28.215 ( -2.020 0.000 -2.747) 3.410 28.537 ( 4.603 0.000 -2.979) 5.483 29.680 ( 40.241 0.000 0.137) 40.241 30.031 ( -3.239 0.000 -1.858) 3.734 30.092 ( 13.167 0.000 -4.615) 13.953 30.121 ( -1.197 0.000 -0.428) 1.271 31.101 ( 10.404 -0.000 4.552) 11.357 31.222 ( 12.700 -0.000 6.900) 14.453 31.410 ( -2.155 -0.000 0.409) 2.194 31.949 ( -2.950 -0.000 1.977) 3.551 32.322 ( -21.629 0.000 -7.925) 23.035 32.368 ( 14.859 0.000 -1.913) 14.982 32.429 ( 5.952 0.000 -0.455) 5.970 32.684 ( -30.654 -0.000 2.085) 30.725 33.354 ( -2.326 0.000 -3.124) 3.895 33.640 ( -0.370 -0.000 14.735) 14.739 33.684 ( -4.883 0.000 -0.737) 4.939 33.761 ( 2.291 0.000 -3.153) 3.898 33.861 ( -18.659 -0.000 0.294) 18.661 34.242 ( -6.495 -0.000 3.699) 7.474 34.907 ( -3.757 0.000 -24.500) 24.786 35.325 ( -2.524 -0.000 -0.013) 2.524 36.492 ( 22.475 0.000 -0.601) 22.483 37.014 ( -4.710 -0.000 31.446) 31.797 37.993 ( -8.173 0.000 -19.957) 21.566 38.487 ( -8.248 -0.000 1.994) 8.486 38.705 ( 8.429 0.000 -0.044) 8.429 39.428 ( 3.409 0.000 0.287) 3.421 39.525 ( -9.585 -0.000 0.391) 9.593 40.142 ( -2.076 -0.000 -0.110) 2.079 41.351 ( -6.385 -0.000 0.117) 6.386 ======================= Grid point 3 (3/50) ======================= q-point: ( 0.24 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 18.709 10.154 8.366) 22.872 1.182 ( 17.048 15.685 16.649) 28.528 1.319 ( 11.295 -4.192 9.354) 15.253 1.519 ( 16.060 19.470 18.595) 31.350 2.014 ( 4.381 -7.351 -5.896) 10.392 2.026 ( 2.626 -3.248 -2.876) 5.071 2.199 ( 0.375 1.737 2.346) 2.943 2.311 ( -0.084 2.447 2.565) 3.546 2.383 ( -0.102 6.682 0.108) 6.684 2.430 ( 4.447 2.492 -3.527) 6.199 2.573 ( 3.221 -3.019 2.084) 4.882 2.668 ( 1.570 0.163 1.022) 1.881 2.701 ( 0.647 -0.201 0.253) 0.723 2.791 ( 2.077 -3.366 1.684) 4.299 2.891 ( -0.770 -4.940 -2.894) 5.776 2.971 ( -0.601 3.977 -2.019) 4.501 3.137 ( -1.499 -1.632 -6.609) 6.971 3.252 ( -1.171 0.892 1.424) 2.048 3.874 ( 18.856 -0.325 -0.123) 18.859 4.430 ( -11.732 -1.780 -3.260) 12.306 4.533 ( -1.794 8.035 -1.025) 8.297 5.217 ( 12.267 -1.061 -0.215) 12.315 5.292 ( 3.152 -9.939 -0.611) 10.445 5.662 ( 2.222 -12.344 -3.748) 13.090 5.867 ( 1.433 -7.973 2.684) 8.534 5.947 ( -1.014 0.649 5.717) 5.843 6.182 ( 2.361 9.096 1.282) 9.485 6.245 ( 1.206 2.046 -6.593) 7.008 6.396 ( 0.411 6.183 -0.380) 6.208 6.468 ( 4.239 0.536 -0.208) 4.278 6.883 ( -1.409 0.525 -1.778) 2.329 6.906 ( -1.790 10.586 3.507) 11.294 7.006 ( 0.035 0.796 1.027) 1.300 7.209 ( 0.550 -11.254 3.719) 11.865 7.286 ( -0.005 -2.287 8.602) 8.901 7.475 ( -4.504 -4.018 -9.201) 11.005 7.590 ( -6.416 -1.042 -6.429) 9.142 7.812 ( 1.849 7.318 0.102) 7.549 11.662 ( -7.895 -0.377 0.009) 7.904 11.937 ( -6.352 8.143 19.000) 21.625 12.558 ( 5.083 -3.673 -3.673) 7.268 13.233 ( 9.262 -5.378 -8.117) 13.438 13.623 ( 4.368 4.044 -7.289) 9.411 14.285 ( 20.494 2.968 -0.261) 20.710 15.073 ( -2.081 10.355 12.238) 16.166 15.578 ( 15.423 -2.781 10.413) 18.816 15.976 ( 15.162 1.751 -21.086) 26.030 16.692 ( -24.066 -5.955 4.293) 25.161 17.082 ( 10.024 -1.041 -5.428) 11.447 17.479 ( 2.587 -2.010 -0.943) 3.409 17.557 ( 5.241 -5.744 1.128) 7.857 17.903 ( 7.003 11.499 -3.516) 13.916 18.648 ( -15.936 -4.230 -3.242) 16.804 18.756 ( 0.558 1.487 -3.163) 3.539 18.981 ( 9.427 3.442 -7.751) 12.681 19.358 ( 1.126 4.665 -9.651) 10.779 19.939 ( -2.367 4.741 1.050) 5.402 20.064 ( 6.651 -0.665 -4.728) 8.187 20.325 ( 5.514 -8.227 6.388) 11.785 20.597 ( -4.633 -10.200 4.462) 12.059 20.695 ( -0.692 3.681 -8.771) 9.537 20.861 ( -3.881 3.635 4.134) 6.735 21.138 ( -1.552 -4.075 -2.421) 4.988 21.710 ( 3.887 19.434 -1.077) 19.848 22.249 ( -15.966 -7.472 24.464) 30.153 22.408 ( -14.655 -10.112 4.055) 18.261 22.714 ( -4.458 6.125 -1.250) 7.678 22.961 ( -5.428 2.060 5.466) 7.974 23.166 ( 9.086 -6.958 3.095) 11.856 23.225 ( -4.321 -0.824 1.693) 4.714 23.346 ( 2.430 1.007 1.198) 2.890 23.418 ( -2.285 4.690 2.762) 5.903 23.454 ( -4.113 -3.496 -2.474) 5.938 23.753 ( -1.319 -0.621 -3.230) 3.543 23.997 ( 2.172 17.214 -5.065) 18.074 24.120 ( 2.524 -6.122 -1.084) 6.711 24.241 ( 3.472 -4.183 5.356) 7.631 24.654 ( 9.501 5.373 0.834) 10.947 25.516 ( -8.548 -3.638 6.558) 11.372 25.728 ( -10.632 2.301 1.846) 11.033 25.966 ( 8.492 -10.816 -8.446) 16.138 26.686 ( -1.805 15.045 -3.783) 15.618 27.178 ( -9.341 0.260 -3.912) 10.130 27.513 ( -3.685 -1.245 -1.513) 4.174 27.707 ( -12.533 -16.378 10.304) 23.054 28.104 ( 1.081 0.313 0.471) 1.220 28.126 ( 14.140 0.511 -0.006) 14.149 28.285 ( -3.706 -0.933 -2.649) 4.650 28.551 ( 1.923 -0.246 2.778) 3.388 29.144 ( 24.592 -12.722 -3.068) 27.857 30.108 ( 2.682 2.005 0.058) 3.349 30.252 ( 7.107 1.264 -4.312) 8.409 30.708 ( 3.318 0.358 4.726) 5.786 30.869 ( 3.658 3.497 1.480) 5.273 31.665 ( -5.933 2.097 -0.947) 6.363 31.771 ( 8.959 -2.513 -1.464) 9.419 32.105 ( -1.804 -3.589 2.471) 4.716 32.249 ( 1.024 1.206 5.297) 5.528 33.008 ( -12.670 -4.234 -3.928) 13.924 33.197 ( 7.445 -2.408 0.720) 7.858 33.413 ( -9.088 -2.938 -0.814) 9.586 33.747 ( -1.044 6.416 2.983) 7.152 33.852 ( -8.723 -0.317 -0.391) 8.738 33.910 ( -1.081 3.281 -0.245) 3.463 34.412 ( -2.780 7.845 0.241) 8.326 34.581 ( -11.416 1.713 1.233) 11.609 34.829 ( 15.715 -12.660 -5.140) 20.824 35.369 ( 0.841 -3.671 -5.990) 7.076 36.083 ( -8.488 9.900 -8.726) 15.691 37.263 ( -6.422 6.876 28.419) 29.936 38.231 ( -6.211 -1.697 -13.324) 14.798 38.465 ( 4.871 2.204 0.003) 5.346 38.806 ( -8.903 -6.432 -0.888) 11.019 39.144 ( 5.581 -4.060 -0.726) 6.939 40.039 ( -7.119 10.808 -3.935) 13.527 40.195 ( -2.113 -2.440 3.314) 4.626 41.611 ( -4.983 -0.020 0.173) 4.986 ======================= Grid point 4 (4/50) ======================= q-point: ( 0.24 0.43 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 9.833 -0.663 0.173) 9.857 2.003 ( 3.954 0.074 -0.601) 4.000 2.046 ( -0.014 -0.125 0.530) 0.544 2.076 ( -2.299 0.304 -0.396) 2.352 2.142 ( -1.367 -0.095 2.794) 3.112 2.265 ( 2.391 -0.152 -0.168) 2.402 2.401 ( 0.815 4.834 1.774) 5.214 2.423 ( 3.295 1.458 -1.525) 3.912 2.461 ( 0.109 2.042 -1.694) 2.656 2.591 ( -3.023 -1.182 0.943) 3.380 2.626 ( -0.723 -3.388 -3.017) 4.595 2.730 ( -0.877 -4.287 5.203) 6.799 2.832 ( 1.784 -1.502 -1.719) 2.897 2.984 ( 2.100 1.309 0.308) 2.494 3.017 ( 1.862 0.104 -0.953) 2.094 3.052 ( 2.083 4.217 1.125) 4.836 3.091 ( 0.575 0.089 2.095) 2.174 3.185 ( -0.555 0.908 -0.627) 1.235 3.663 ( -1.424 -0.535 -3.177) 3.522 4.800 ( 3.080 -1.289 -0.296) 3.353 4.850 ( 4.327 -0.129 1.371) 4.541 5.286 ( -0.725 6.681 0.161) 6.722 5.721 ( 2.904 -0.746 0.116) 3.000 5.732 ( 1.872 -2.476 -0.976) 3.253 6.060 ( 0.451 -0.379 2.716) 2.779 6.178 ( -0.692 -0.324 2.518) 2.632 6.196 ( 1.663 0.052 -0.548) 1.752 6.242 ( -0.001 -0.011 1.817) 1.817 6.608 ( -5.158 -0.827 -5.361) 7.486 6.654 ( 2.513 -0.450 -0.201) 2.561 6.769 ( -0.873 1.386 -4.106) 4.421 6.809 ( 0.636 0.374 -5.246) 5.297 6.919 ( 0.179 -0.416 0.601) 0.752 7.011 ( 0.285 -1.923 3.932) 4.386 7.199 ( -1.997 0.091 5.665) 6.008 7.459 ( 0.073 2.067 -0.553) 2.141 7.603 ( 8.637 -2.345 -0.496) 8.963 7.791 ( -2.234 1.753 0.185) 2.846 10.951 ( -6.671 -1.375 0.004) 6.811 11.729 ( -4.409 0.142 -2.362) 5.003 12.842 ( 2.460 3.400 0.090) 4.197 14.076 ( 4.801 -0.493 8.734) 9.979 14.205 ( 19.735 -0.686 -4.443) 20.241 15.010 ( -9.640 5.364 -2.047) 11.220 15.056 ( -14.225 3.652 0.879) 14.713 15.740 ( 13.812 11.933 1.859) 18.347 15.938 ( -0.038 4.621 -1.517) 4.864 16.370 ( -0.917 -5.574 -0.501) 5.671 17.053 ( -10.000 2.366 3.429) 10.833 17.383 ( -1.223 -10.778 -0.108) 10.848 17.697 ( 5.544 -0.105 -4.092) 6.891 17.821 ( -3.302 -6.858 -1.373) 7.735 18.303 ( 9.346 -9.724 -10.121) 16.863 19.085 ( 0.930 0.375 16.445) 16.476 19.331 ( -1.844 8.537 3.379) 9.365 19.668 ( -1.234 -7.047 -2.009) 7.431 19.842 ( -0.662 -6.545 -6.050) 8.938 19.959 ( 2.475 0.019 6.264) 6.735 20.247 ( -0.982 3.160 7.739) 8.417 20.446 ( -3.924 15.950 -2.659) 16.639 20.579 ( 3.674 -0.377 -9.549) 10.238 20.780 ( -2.030 -3.033 2.309) 4.319 21.058 ( 1.312 0.026 -6.242) 6.379 21.772 ( -4.153 -13.450 -5.055) 14.956 22.188 ( -5.315 8.476 -1.767) 10.160 22.387 ( 8.668 0.509 3.792) 9.475 22.470 ( 2.912 2.624 2.428) 4.611 22.586 ( -9.583 3.331 1.620) 10.274 22.846 ( -6.058 7.946 -4.952) 11.151 23.149 ( 3.779 2.358 8.724) 9.796 23.308 ( -1.533 0.203 3.935) 4.228 23.418 ( -2.470 -16.952 0.980) 17.159 23.487 ( -1.182 -11.206 2.143) 11.470 23.921 ( 2.561 2.480 0.126) 3.567 24.160 ( 0.854 5.194 -4.998) 7.258 24.625 ( 13.191 0.805 -0.591) 13.229 24.872 ( -5.164 -2.791 1.359) 6.025 25.103 ( -4.355 2.527 3.548) 6.160 25.244 ( -6.046 -1.211 -2.925) 6.825 25.329 ( 4.158 -2.309 -2.985) 5.616 25.439 ( 4.255 4.327 -1.497) 6.251 25.946 ( -5.825 8.188 -1.406) 10.146 26.511 ( -9.857 -3.949 8.389) 13.533 26.823 ( -1.872 3.163 -1.352) 3.917 27.011 ( -5.641 -3.896 -5.902) 9.046 28.157 ( 1.598 0.229 0.700) 1.759 28.195 ( -0.222 3.646 -0.412) 3.676 28.484 ( 2.567 -6.206 -0.252) 6.720 29.756 ( 1.524 -9.830 0.567) 9.963 30.044 ( 2.197 -1.322 -3.580) 4.403 30.437 ( 16.632 12.342 0.063) 20.711 30.529 ( 14.729 7.885 -1.307) 16.758 31.263 ( 4.118 0.474 1.477) 4.400 31.515 ( -2.666 -8.438 5.880) 10.625 31.559 ( 2.411 -0.510 6.744) 7.180 31.666 ( -10.226 -8.395 0.450) 13.238 31.876 ( -4.987 -1.095 -4.963) 7.120 32.132 ( -19.887 -1.904 3.892) 20.353 32.551 ( 6.627 2.718 -2.317) 7.528 32.602 ( 4.143 3.890 -1.632) 5.913 33.284 ( 0.205 2.057 -2.458) 3.211 33.564 ( -4.621 -0.204 -2.092) 5.077 33.596 ( 0.294 0.416 -15.937) 15.945 33.641 ( -4.358 2.547 -0.513) 5.074 33.838 ( -0.014 -0.131 3.145) 3.148 34.126 ( -4.346 -0.900 -2.362) 5.028 34.851 ( -1.315 -1.367 26.882) 26.948 35.471 ( -1.748 14.143 -0.081) 14.251 36.610 ( 17.095 -3.879 -17.957) 25.095 37.190 ( -17.783 -10.908 -6.422) 21.828 37.633 ( 2.954 -1.097 15.018) 15.346 38.364 ( -1.567 -0.869 -2.181) 2.823 38.906 ( 4.985 4.463 -0.046) 6.691 39.286 ( -1.530 -4.131 0.212) 4.410 39.607 ( -2.587 6.162 0.036) 6.683 40.074 ( -0.842 -1.818 -0.214) 2.014 41.261 ( -2.620 -0.130 0.029) 2.623 ======================= Grid point 5 (5/50) ======================= q-point: ( 0.24 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -23.417 7.847 -0.000) 24.697 1.319 ( -18.431 18.124 -0.000) 25.850 1.483 ( -15.705 -1.050 -0.000) 15.740 1.800 ( -28.624 10.709 -0.000) 30.561 2.092 ( -3.602 -4.101 0.000) 5.458 2.168 ( -0.885 -1.778 0.000) 1.986 2.220 ( -2.891 -2.113 0.000) 3.581 2.270 ( -2.573 2.209 -0.000) 3.391 2.394 ( -0.184 6.508 -0.000) 6.511 2.530 ( -1.341 2.385 -0.000) 2.736 2.594 ( -1.947 -1.875 0.000) 2.703 2.705 ( -1.844 -0.350 -0.000) 1.877 2.716 ( -5.703 -0.373 -0.000) 5.715 2.847 ( -4.369 0.314 -0.000) 4.380 2.899 ( 1.303 -4.305 0.000) 4.498 3.018 ( -0.467 3.955 -0.000) 3.983 3.180 ( 2.605 -2.527 0.000) 3.630 3.198 ( 1.152 0.291 -0.000) 1.188 4.145 ( 16.192 -4.261 0.000) 16.744 4.299 ( -22.230 -1.343 -0.000) 22.270 4.616 ( -5.531 5.985 -0.000) 8.149 5.320 ( 0.055 -4.550 0.000) 4.551 5.446 ( -10.684 -0.533 -0.000) 10.697 5.804 ( -1.911 -17.537 0.000) 17.641 5.853 ( -4.113 1.614 -0.000) 4.418 5.909 ( -4.808 2.365 -0.000) 5.358 6.163 ( -0.076 1.297 -0.000) 1.299 6.421 ( 2.279 -0.172 0.000) 2.286 6.441 ( -2.173 4.803 -0.000) 5.272 6.453 ( -2.198 11.606 -0.000) 11.812 6.876 ( 0.301 -1.695 0.000) 1.722 6.952 ( 2.774 0.844 -0.000) 2.899 6.984 ( 5.444 0.827 0.000) 5.507 7.000 ( -9.278 4.986 -0.000) 10.533 7.303 ( -3.080 -14.028 0.000) 14.362 7.496 ( 6.489 -4.340 0.000) 7.807 7.513 ( 6.353 -1.065 0.000) 6.442 7.833 ( -0.116 8.067 -0.000) 8.068 11.450 ( 13.452 -0.889 0.000) 13.481 11.596 ( 3.582 10.446 -0.000) 11.043 12.706 ( -5.490 -0.976 -0.000) 5.576 13.587 ( -16.991 -11.515 0.000) 20.525 13.906 ( -8.653 5.364 -0.000) 10.181 14.773 ( -27.456 7.378 -0.000) 28.430 14.843 ( -0.687 9.705 -0.000) 9.729 15.669 ( -7.170 5.247 -0.000) 8.885 15.931 ( 29.774 5.901 0.000) 30.353 16.511 ( -0.306 -15.287 0.000) 15.290 17.367 ( -7.701 4.763 -0.000) 9.055 17.538 ( 3.994 -9.761 0.000) 10.546 17.620 ( -8.150 -7.767 0.000) 11.259 18.141 ( 11.529 -5.586 0.000) 12.811 18.534 ( 5.727 -13.036 0.000) 14.238 18.690 ( -8.966 17.757 -0.000) 19.892 18.948 ( -2.383 -3.390 0.000) 4.144 19.827 ( 3.701 0.757 0.000) 3.778 19.974 ( 5.996 -5.401 0.000) 8.070 20.266 ( -4.405 -5.501 0.000) 7.047 20.418 ( -4.924 -10.093 0.000) 11.230 20.524 ( 5.084 -0.979 0.000) 5.177 20.652 ( 12.443 5.833 -0.000) 13.743 20.712 ( -0.987 7.330 -0.000) 7.396 21.176 ( 2.152 -7.796 0.000) 8.088 21.243 ( -6.949 21.112 -0.000) 22.226 21.833 ( -7.694 22.015 -0.000) 23.320 22.085 ( 12.738 -5.913 0.000) 14.044 22.645 ( 6.423 10.004 -0.000) 11.889 22.824 ( 1.224 -3.697 0.000) 3.894 23.249 ( -4.331 -8.815 0.000) 9.822 23.268 ( -3.703 -4.295 0.000) 5.671 23.306 ( 6.916 -6.652 0.000) 9.596 23.400 ( -1.971 3.293 -0.000) 3.838 23.465 ( -1.581 0.998 -0.000) 1.869 23.794 ( -2.039 2.880 -0.000) 3.529 23.873 ( 8.941 14.646 -0.000) 17.160 24.317 ( -11.447 -10.662 0.000) 15.643 24.465 ( -14.853 3.115 -0.000) 15.177 24.866 ( -10.420 8.817 -0.000) 13.649 25.283 ( 1.883 -3.279 0.000) 3.781 25.428 ( 14.274 4.080 -0.000) 14.846 26.088 ( 14.412 -15.570 0.000) 21.217 26.744 ( 0.916 8.941 -0.000) 8.987 26.890 ( 19.251 -3.855 0.000) 19.634 27.056 ( 17.579 2.278 0.000) 17.726 27.522 ( 13.124 -4.430 0.000) 13.851 28.161 ( -1.438 2.549 -0.000) 2.927 28.265 ( -0.414 -1.800 0.000) 1.847 28.336 ( -5.428 -8.911 0.000) 10.434 28.912 ( -35.063 0.185 -0.000) 35.063 29.562 ( -13.328 -15.269 0.000) 20.267 30.131 ( -0.148 0.216 -0.000) 0.262 30.486 ( -5.345 7.285 -0.000) 9.036 30.761 ( -6.216 1.700 -0.000) 6.444 30.963 ( -11.016 5.143 -0.000) 12.157 31.578 ( 7.322 2.452 -0.000) 7.722 31.913 ( -2.035 -0.441 -0.000) 2.082 32.074 ( -11.923 -0.713 -0.000) 11.944 32.312 ( -5.839 -0.671 -0.000) 5.877 32.762 ( 20.316 -11.045 0.000) 23.124 33.022 ( 11.238 -0.456 0.000) 11.247 33.438 ( 0.109 -2.216 0.000) 2.219 33.533 ( 11.292 0.497 0.000) 11.302 33.767 ( 1.248 -0.169 0.000) 1.259 33.854 ( 4.059 5.513 -0.000) 6.846 34.274 ( 17.367 3.713 0.000) 17.760 34.321 ( 9.604 -0.361 0.000) 9.611 35.371 ( -14.930 -3.171 -0.000) 15.263 35.485 ( 2.910 0.041 0.000) 2.910 36.046 ( -1.144 1.835 -0.000) 2.162 36.621 ( 1.728 9.676 -0.000) 9.829 38.373 ( 2.249 0.047 0.000) 2.250 38.519 ( 8.590 -7.618 0.000) 11.481 38.621 ( -1.786 1.839 -0.000) 2.563 39.236 ( -2.904 -6.359 0.000) 6.991 39.889 ( 9.812 10.079 -0.000) 14.067 40.140 ( 1.417 -2.114 0.000) 2.545 41.487 ( 7.304 -0.078 0.000) 7.304 ======================= Grid point 6 (6/50) ======================= q-point: (-0.53 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 13.706 0.332 0.709) 13.729 1.483 ( 16.993 -6.864 1.815) 18.416 1.791 ( 11.427 -12.622 -7.026) 18.419 1.959 ( 6.332 7.036 6.609) 11.545 2.043 ( 10.192 -2.497 -0.853) 10.528 2.078 ( 6.724 1.137 1.363) 6.954 2.237 ( -0.450 -1.216 -4.164) 4.361 2.363 ( 2.476 -0.928 -0.856) 2.780 2.522 ( 2.718 -2.251 -3.453) 4.937 2.583 ( 3.358 -3.557 0.464) 4.914 2.620 ( 1.215 -0.751 0.790) 1.632 2.647 ( 2.418 3.320 0.883) 4.201 2.722 ( 4.029 -0.063 -0.643) 4.080 2.747 ( 0.618 3.784 2.004) 4.326 2.858 ( 5.402 0.001 -0.332) 5.412 3.020 ( 0.636 -1.191 0.754) 1.546 3.088 ( -0.495 1.841 3.213) 3.736 3.238 ( -1.344 -0.091 -1.319) 1.885 4.052 ( -15.826 2.762 -0.848) 16.087 4.281 ( 21.586 -0.104 0.194) 21.587 4.687 ( 2.367 0.666 0.076) 2.460 5.272 ( 4.704 -0.146 0.138) 4.708 5.450 ( 11.090 0.232 -0.736) 11.117 5.526 ( 6.674 1.766 0.661) 6.936 5.888 ( 3.800 -1.045 0.202) 3.946 6.002 ( 3.056 -2.126 -0.912) 3.833 6.218 ( -1.482 -0.586 0.055) 1.594 6.350 ( 0.524 -0.495 0.579) 0.924 6.404 ( 4.574 2.782 2.794) 6.039 6.754 ( -0.845 -7.044 -2.826) 7.637 6.817 ( 1.080 8.732 -2.028) 9.029 6.895 ( 0.095 -3.273 4.383) 5.471 7.059 ( -2.687 -0.086 -2.616) 3.751 7.133 ( 0.880 -4.645 -2.250) 5.235 7.210 ( -4.748 2.563 -0.310) 5.405 7.286 ( -1.680 3.275 -1.670) 4.042 7.434 ( -5.308 1.341 5.409) 7.696 7.924 ( 0.469 -0.223 0.059) 0.523 11.437 ( -13.808 0.033 0.030) 13.808 11.943 ( -9.325 -6.336 -4.912) 12.297 12.650 ( 8.742 1.358 0.998) 8.903 13.359 ( 16.858 4.933 -0.730) 17.580 13.835 ( 8.570 -2.095 9.156) 12.715 14.852 ( 30.024 -0.237 1.014) 30.042 15.219 ( -0.558 -2.591 -9.533) 9.894 15.727 ( -0.641 -1.589 1.775) 2.467 16.131 ( -16.918 -7.393 -2.960) 18.699 16.207 ( 4.779 7.584 3.650) 9.679 17.294 ( 14.735 3.372 0.355) 15.120 17.431 ( -4.968 -0.297 -1.209) 5.121 17.499 ( 1.280 0.509 3.438) 3.704 18.093 ( -5.438 3.393 -2.823) 7.004 18.209 ( -13.933 6.542 -0.117) 15.393 18.841 ( 6.391 -0.706 2.484) 6.894 19.113 ( 10.552 -4.845 -4.991) 12.638 19.520 ( 4.426 0.784 15.746) 16.375 19.925 ( -7.827 -3.032 -2.129) 8.660 20.081 ( 1.195 2.358 2.399) 3.570 20.346 ( -2.379 4.361 -3.163) 5.889 20.425 ( 5.007 -4.305 2.181) 6.954 20.734 ( 1.181 2.775 3.390) 4.537 20.863 ( -4.809 -1.989 0.609) 5.240 21.018 ( -2.217 1.825 -3.271) 4.352 21.916 ( -0.679 1.780 -11.230) 11.391 22.017 ( -10.589 -3.691 1.165) 11.275 22.269 ( 0.988 -11.691 -0.764) 11.757 22.731 ( -6.845 1.915 1.364) 7.237 22.919 ( -0.554 -3.010 -4.230) 5.221 23.060 ( -7.013 1.491 -1.051) 7.247 23.219 ( 1.866 -1.435 0.424) 2.392 23.240 ( -4.173 3.421 -1.364) 5.566 23.402 ( -1.098 -0.324 3.299) 3.492 23.495 ( -3.977 -4.824 2.341) 6.675 23.716 ( 2.355 1.521 4.265) 5.104 24.060 ( 0.326 -1.073 0.603) 1.273 24.168 ( 8.765 3.341 -2.083) 9.608 24.573 ( 18.726 -3.802 1.372) 19.157 25.004 ( 16.364 1.240 -2.073) 16.541 25.276 ( -10.346 -1.688 -2.094) 10.690 25.552 ( -12.481 -0.532 -3.465) 12.964 25.745 ( -10.740 3.267 4.615) 12.138 26.677 ( -15.540 3.859 1.933) 16.128 27.011 ( -7.160 0.082 -4.463) 8.438 27.190 ( -17.237 -2.735 -2.894) 17.691 27.397 ( -12.183 0.087 2.581) 12.454 28.118 ( 5.362 1.544 1.680) 5.828 28.160 ( -2.853 1.008 1.631) 3.437 28.324 ( 1.422 -0.261 -2.249) 2.674 28.940 ( 34.300 -0.841 -0.520) 34.315 29.384 ( 15.170 1.373 0.234) 15.233 30.174 ( 0.082 0.051 -2.836) 2.837 30.388 ( 10.268 7.300 -0.883) 12.629 30.847 ( 5.324 -6.515 5.247) 9.915 31.070 ( 10.513 -3.538 1.505) 11.194 31.608 ( -4.877 -2.384 2.000) 5.785 31.952 ( 12.171 0.326 -1.366) 12.252 32.037 ( -1.825 0.464 0.140) 1.888 32.390 ( 4.356 -2.541 -3.961) 6.413 32.494 ( -19.186 5.359 3.202) 20.176 33.137 ( -13.134 0.279 -6.593) 14.699 33.326 ( 1.319 1.869 2.254) 3.212 33.652 ( -6.724 0.832 -4.990) 8.415 33.755 ( -4.279 -0.690 -0.929) 4.432 33.933 ( -5.330 1.060 -0.588) 5.466 34.294 ( -15.591 0.363 0.796) 15.615 34.391 ( -12.687 -3.418 -1.733) 13.253 34.888 ( 2.327 -0.208 20.001) 20.137 35.564 ( 25.172 -0.209 -1.197) 25.201 35.963 ( -9.525 4.029 -0.779) 10.372 37.319 ( -4.772 -8.052 -25.801) 27.446 38.002 ( -11.973 4.171 20.078) 23.746 38.510 ( -5.962 0.612 -2.746) 6.593 38.659 ( 6.776 0.150 -0.037) 6.777 39.169 ( 3.078 -0.043 0.021) 3.078 39.985 ( -8.221 2.623 -1.516) 8.761 40.128 ( -3.424 -2.573 1.442) 4.519 41.487 ( -7.342 -0.116 0.068) 7.343 ======================= Grid point 7 (7/50) ======================= q-point: ( 0.47 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -8.983 -0.501 -0.000) 8.997 1.982 ( -5.170 0.798 -0.000) 5.232 2.062 ( 4.823 -1.151 0.000) 4.959 2.068 ( -5.581 6.794 -0.000) 8.792 2.135 ( 0.660 -2.739 0.000) 2.818 2.252 ( 0.523 1.316 -0.000) 1.416 2.442 ( -6.625 -1.394 -0.000) 6.770 2.444 ( -2.908 -1.592 0.000) 3.315 2.547 ( 2.773 1.399 -0.000) 3.106 2.567 ( 1.845 2.535 -0.000) 3.135 2.606 ( 1.588 -0.099 0.000) 1.591 2.647 ( 0.192 -0.818 0.000) 0.840 2.804 ( -1.711 0.087 -0.000) 1.713 2.974 ( -1.017 0.083 -0.000) 1.020 3.020 ( -3.076 -1.162 0.000) 3.288 3.102 ( -1.474 1.318 -0.000) 1.977 3.160 ( -0.837 0.114 -0.000) 0.845 3.162 ( 0.732 0.067 0.000) 0.735 3.648 ( 2.990 -2.013 0.000) 3.604 4.783 ( -1.917 -0.392 -0.000) 1.957 4.867 ( -4.979 0.288 -0.000) 4.987 5.389 ( -1.051 0.104 -0.000) 1.056 5.693 ( -1.311 -1.667 0.000) 2.121 5.718 ( -2.662 -0.028 -0.000) 2.663 6.073 ( -2.626 1.676 -0.000) 3.116 6.188 ( -5.033 0.398 -0.000) 5.049 6.216 ( -1.804 0.452 -0.000) 1.859 6.291 ( 1.793 -0.511 0.000) 1.865 6.441 ( 5.640 3.026 -0.000) 6.400 6.622 ( 1.029 0.945 -0.000) 1.397 6.660 ( 6.664 -0.166 0.000) 6.666 6.849 ( -2.368 -3.727 0.000) 4.416 6.932 ( 0.065 -0.129 0.000) 0.144 7.075 ( 1.297 -1.125 0.000) 1.717 7.297 ( 2.452 -0.002 0.000) 2.452 7.491 ( -8.713 -2.314 0.000) 9.015 7.537 ( -5.738 2.286 -0.000) 6.176 7.812 ( 4.636 0.292 0.000) 4.646 10.933 ( 6.737 -0.045 0.000) 6.737 11.650 ( 1.749 2.516 -0.000) 3.064 12.898 ( -2.394 -0.429 -0.000) 2.432 14.187 ( -18.443 -3.824 -0.000) 18.836 14.270 ( -3.852 -0.582 -0.000) 3.895 14.962 ( 20.799 4.563 0.000) 21.293 15.048 ( -0.338 1.233 -0.000) 1.279 15.944 ( -2.260 -0.558 0.000) 2.328 15.971 ( -16.687 1.698 -0.000) 16.773 16.301 ( 1.309 -0.523 0.000) 1.409 17.142 ( 12.054 0.321 0.000) 12.059 17.259 ( 5.907 -3.042 0.000) 6.645 17.512 ( 0.815 -0.474 0.000) 0.942 17.840 ( -4.328 3.041 -0.000) 5.290 18.071 ( 0.098 -6.250 0.000) 6.251 19.289 ( -9.646 5.720 -0.000) 11.214 19.469 ( -6.714 4.889 -0.000) 8.306 19.519 ( 9.398 -6.620 0.000) 11.495 19.683 ( 4.359 -0.672 0.000) 4.411 20.320 ( -0.278 -2.807 0.000) 2.821 20.324 ( -0.493 -0.652 0.000) 0.817 20.500 ( 3.362 2.269 -0.000) 4.056 20.559 ( -7.601 -0.481 -0.000) 7.616 20.757 ( 5.200 0.543 0.000) 5.228 20.870 ( 1.628 -2.877 0.000) 3.305 21.490 ( 3.012 3.144 -0.000) 4.354 22.228 ( -8.891 8.991 -0.000) 12.644 22.375 ( -1.341 4.482 -0.000) 4.679 22.497 ( 4.319 -6.607 0.000) 7.893 22.759 ( 4.197 -6.476 0.000) 7.718 22.882 ( -0.771 1.334 -0.000) 1.541 23.124 ( 4.526 3.022 -0.000) 5.443 23.266 ( -0.715 -0.472 0.000) 0.857 23.404 ( 0.579 0.628 -0.000) 0.854 23.552 ( -0.633 -0.404 0.000) 0.750 23.869 ( -0.824 3.004 -0.000) 3.115 24.052 ( -2.219 0.677 -0.000) 2.320 24.659 ( -10.151 -2.215 -0.000) 10.390 24.880 ( 6.049 0.730 0.000) 6.093 25.006 ( 0.720 1.045 -0.000) 1.269 25.190 ( -6.029 4.764 -0.000) 7.684 25.392 ( 7.806 -4.230 0.000) 8.879 25.451 ( 0.290 -0.628 0.000) 0.691 26.145 ( 2.346 -6.737 0.000) 7.134 26.606 ( 9.738 5.993 -0.000) 11.434 26.777 ( 3.147 1.130 -0.000) 3.344 26.856 ( 5.361 -2.931 0.000) 6.110 28.188 ( 0.430 -0.585 0.000) 0.726 28.292 ( -0.855 -1.986 0.000) 2.162 28.354 ( -2.235 0.952 -0.000) 2.430 29.670 ( -1.436 -0.256 -0.000) 1.459 29.973 ( -1.632 -0.740 0.000) 1.792 30.516 ( -25.587 1.070 -0.000) 25.610 30.764 ( -6.431 -7.000 0.000) 9.506 31.132 ( -4.513 6.828 -0.000) 8.185 31.481 ( -4.217 6.164 -0.000) 7.468 31.548 ( 1.277 2.940 -0.000) 3.205 31.711 ( 10.840 -5.378 0.000) 12.101 31.816 ( 11.161 -1.709 0.000) 11.291 32.151 ( 12.686 1.689 0.000) 12.798 32.530 ( -6.659 -1.770 0.000) 6.890 32.647 ( -2.222 -0.701 0.000) 2.330 33.300 ( 1.962 -1.047 0.000) 2.224 33.324 ( 0.912 -0.575 0.000) 1.079 33.551 ( 5.449 -0.300 0.000) 5.457 33.689 ( 4.362 -0.064 0.000) 4.362 33.951 ( 1.013 -2.385 0.000) 2.591 34.013 ( 2.245 2.937 -0.000) 3.697 35.393 ( 0.903 -0.137 0.000) 0.914 35.608 ( 2.378 0.864 -0.000) 2.531 36.294 ( -9.492 -6.861 0.000) 11.712 36.786 ( 1.640 9.350 -0.000) 9.493 37.887 ( 5.587 -3.004 0.000) 6.343 38.311 ( 0.636 0.060 0.000) 0.639 38.967 ( -4.635 -0.076 -0.000) 4.636 39.237 ( -0.529 0.402 -0.000) 0.664 39.680 ( 4.304 -0.022 0.000) 4.304 40.050 ( 0.687 -0.241 0.000) 0.728 41.258 ( 2.571 0.076 0.000) 2.572 ======================= Grid point 8 (8/50) ======================= q-point: ( 0.47 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -13.766 9.865 -2.670) 17.145 1.222 ( -9.809 1.736 -1.804) 10.124 1.530 ( -13.720 16.163 10.251) 23.549 1.804 ( -7.770 -9.367 -10.975) 16.388 1.895 ( -4.735 9.538 4.867) 11.709 1.987 ( -2.796 -0.740 -2.781) 4.012 2.236 ( -0.355 1.535 6.863) 7.042 2.340 ( -0.010 -1.414 0.032) 1.415 2.426 ( -5.112 -2.902 1.624) 6.099 2.537 ( -1.667 2.734 0.119) 3.204 2.582 ( -1.492 8.664 1.631) 8.942 2.619 ( -0.438 -5.050 -0.310) 5.078 2.670 ( -2.229 -1.482 0.788) 2.790 2.753 ( -0.562 -3.673 -2.916) 4.724 2.773 ( -2.163 -0.724 -2.020) 3.046 3.016 ( 0.092 0.684 -0.061) 0.693 3.103 ( 0.887 -2.506 -3.885) 4.707 3.262 ( 1.047 -0.015 1.554) 1.874 3.872 ( -18.156 0.062 -0.048) 18.156 4.368 ( 15.370 -2.559 0.174) 15.583 4.666 ( 0.608 -1.665 0.300) 1.798 5.171 ( -5.616 -0.314 -0.194) 5.628 5.214 ( -12.293 -0.287 0.529) 12.307 5.403 ( -5.014 -0.641 -0.646) 5.096 5.831 ( -2.042 0.682 0.692) 2.261 5.971 ( -0.426 2.773 1.096) 3.012 6.236 ( 0.006 -0.469 -3.311) 3.344 6.312 ( 1.282 0.588 1.070) 1.770 6.425 ( 2.076 -1.658 -1.660) 3.133 6.695 ( -6.006 2.193 0.493) 6.413 6.760 ( -4.250 -4.102 0.993) 5.989 6.897 ( 0.566 1.809 -3.322) 3.825 7.063 ( -0.330 0.525 1.766) 1.871 7.169 ( 3.389 7.359 5.508) 9.797 7.331 ( 4.924 1.786 7.679) 9.295 7.346 ( 3.737 -7.777 -5.621) 10.298 7.531 ( 4.166 -3.146 -5.683) 7.717 7.894 ( -2.171 0.231 -0.046) 2.183 11.657 ( 8.302 0.003 -0.036) 8.302 12.132 ( 9.144 8.838 6.004) 14.063 12.489 ( -7.000 -1.963 -1.899) 7.514 13.106 ( -8.958 -6.079 3.025) 11.241 13.698 ( -4.999 2.404 -11.511) 12.778 14.327 ( -22.298 0.386 -1.890) 22.381 15.236 ( 1.278 2.791 9.600) 10.079 15.589 ( -16.009 3.483 10.142) 19.268 15.940 ( -6.697 -4.841 -16.126) 18.120 16.670 ( 24.252 2.764 -0.482) 24.414 17.008 ( -10.371 -3.616 1.415) 11.074 17.461 ( -1.347 1.018 0.421) 1.740 17.485 ( -2.309 -0.936 -0.492) 2.539 18.061 ( -5.609 0.106 -3.820) 6.787 18.498 ( 10.231 -6.593 7.863) 14.490 18.747 ( -3.337 -1.459 -1.440) 3.916 18.997 ( 0.342 -1.448 0.763) 1.672 19.441 ( -2.761 3.062 -18.106) 18.569 19.991 ( -5.621 -1.147 2.434) 6.232 20.057 ( -0.286 -3.212 -1.333) 3.489 20.237 ( -0.441 5.115 -0.908) 5.214 20.468 ( -0.091 -1.350 8.972) 9.073 20.743 ( 2.332 -0.300 -12.777) 12.992 20.950 ( 3.699 0.826 -0.282) 3.801 21.080 ( 3.412 0.786 0.429) 3.528 21.880 ( -1.059 -7.025 8.019) 10.714 22.249 ( 4.993 12.877 0.710) 13.829 22.340 ( 11.169 2.322 -0.169) 11.409 22.876 ( 7.124 4.688 0.576) 8.547 22.929 ( 1.543 -4.565 -1.063) 4.935 23.081 ( -5.530 2.842 2.376) 6.656 23.232 ( 4.659 0.759 1.327) 4.903 23.357 ( 5.078 -0.433 2.257) 5.574 23.388 ( -0.558 -0.872 -0.993) 1.434 23.528 ( 0.245 3.613 3.552) 5.072 23.703 ( 0.601 -3.607 -3.374) 4.976 23.988 ( -6.607 -2.702 1.496) 7.293 24.120 ( -9.094 -5.965 5.406) 12.145 24.307 ( 3.002 8.506 -9.654) 13.212 24.714 ( -11.863 -0.836 3.021) 12.270 25.482 ( 9.578 0.744 2.593) 9.951 25.762 ( 8.274 -0.105 1.655) 8.439 25.854 ( -0.393 1.376 -4.705) 4.918 26.915 ( 8.558 1.030 -0.547) 8.637 27.118 ( 4.573 -5.978 2.791) 8.027 27.451 ( 6.026 -3.273 4.456) 8.178 27.530 ( 4.756 5.264 -1.196) 7.194 28.103 ( -6.140 -0.228 1.473) 6.319 28.141 ( -7.446 0.729 -1.554) 7.642 28.287 ( 7.906 0.570 -2.898) 8.440 28.546 ( -3.640 -0.261 3.947) 5.376 29.012 ( -21.685 -0.951 -0.085) 21.706 30.151 ( -2.136 1.329 1.295) 2.829 30.203 ( -8.408 -4.081 -0.186) 9.348 30.757 ( -3.902 3.681 -1.039) 5.464 30.936 ( -3.159 3.152 -4.803) 6.556 31.705 ( 1.235 -0.749 -0.559) 1.549 31.729 ( -4.873 0.853 -1.222) 5.095 32.068 ( -0.929 0.296 0.604) 1.147 32.271 ( -3.164 0.065 6.323) 7.071 32.925 ( 18.946 -1.981 -1.454) 19.105 33.176 ( -3.511 -1.114 3.775) 5.275 33.360 ( 4.831 -0.638 -1.558) 5.116 33.823 ( 4.636 0.816 4.504) 6.515 33.849 ( 8.063 0.024 -0.245) 8.066 34.013 ( 2.914 -0.842 0.389) 3.058 34.540 ( 8.699 3.646 -5.048) 10.698 34.607 ( -12.743 0.859 -1.803) 12.898 34.622 ( -2.619 -0.397 -1.301) 2.951 35.317 ( -0.680 -0.485 -9.538) 9.574 36.140 ( 7.792 -4.608 1.485) 9.173 37.398 ( 3.429 4.223 21.637) 22.311 38.194 ( 7.209 -1.555 -14.269) 16.062 38.490 ( -4.943 -0.019 0.244) 4.950 38.712 ( 8.349 -1.277 0.901) 8.494 39.103 ( -3.403 -0.120 -0.054) 3.406 40.111 ( 4.212 -5.080 3.599) 7.517 40.208 ( 4.620 4.909 -4.178) 7.931 41.612 ( 5.012 0.154 -0.040) 5.014 ======================= Grid point 9 (9/50) ======================= q-point: (-0.29 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 15.959 -11.220 0.000) 19.509 1.709 ( 17.566 -2.191 0.000) 17.702 1.763 ( 12.680 1.620 0.000) 12.783 2.135 ( 4.740 1.324 -0.000) 4.921 2.164 ( -1.429 1.701 -0.000) 2.222 2.215 ( -1.469 -2.847 0.000) 3.203 2.283 ( 15.079 0.010 0.000) 15.079 2.381 ( 6.507 1.420 0.000) 6.660 2.411 ( 2.530 -6.215 0.000) 6.710 2.529 ( -1.538 -2.911 0.000) 3.293 2.595 ( -1.632 -0.271 -0.000) 1.655 2.753 ( 2.821 0.082 0.000) 2.822 2.809 ( 1.305 2.802 -0.000) 3.091 2.917 ( 5.304 2.102 -0.000) 5.706 2.927 ( 3.590 -0.233 0.000) 3.597 3.040 ( 1.536 -4.117 0.000) 4.394 3.132 ( -2.263 1.032 -0.000) 2.488 3.177 ( -0.988 -0.222 0.000) 1.013 3.869 ( -11.914 3.598 -0.000) 12.446 4.668 ( 14.987 1.248 0.000) 15.039 4.729 ( 5.509 -1.696 0.000) 5.764 5.310 ( -0.949 -2.208 0.000) 2.403 5.625 ( 7.542 0.448 0.000) 7.555 5.816 ( -0.765 10.251 -0.000) 10.279 5.942 ( 5.009 -2.006 0.000) 5.396 6.028 ( 7.265 -1.266 0.000) 7.375 6.175 ( 1.481 0.436 -0.000) 1.544 6.367 ( -3.313 0.440 -0.000) 3.342 6.406 ( -2.742 -8.561 0.000) 8.989 6.550 ( 4.604 -4.397 0.000) 6.366 6.819 ( -8.620 -0.777 -0.000) 8.655 6.882 ( 1.659 1.147 -0.000) 2.017 6.943 ( -0.735 0.139 -0.000) 0.748 7.259 ( -0.987 8.290 -0.000) 8.349 7.279 ( 11.404 2.296 0.000) 11.633 7.387 ( -6.123 0.402 -0.000) 6.136 7.449 ( 0.980 3.288 -0.000) 3.431 7.817 ( -1.626 -6.583 0.000) 6.780 11.171 ( -14.281 1.268 -0.000) 14.338 11.555 ( -0.487 -6.803 0.000) 6.821 12.805 ( 4.335 -1.441 0.000) 4.568 13.952 ( 19.347 8.791 -0.000) 21.251 14.101 ( 11.427 -1.788 0.000) 11.566 14.859 ( 0.942 -10.595 0.000) 10.637 15.284 ( 11.726 -6.698 0.000) 13.504 15.394 ( -13.034 -8.741 0.000) 15.694 15.787 ( 5.174 -6.133 0.000) 8.024 16.461 ( -4.437 8.796 -0.000) 9.852 17.421 ( -8.220 9.552 -0.000) 12.602 17.514 ( 7.579 -8.466 0.000) 11.363 17.731 ( -22.712 5.152 -0.000) 23.289 17.743 ( 3.587 12.767 -0.000) 13.261 18.433 ( -4.629 15.557 -0.000) 16.231 19.018 ( 5.241 -3.596 0.000) 6.356 19.040 ( 20.082 -10.897 0.000) 22.848 19.771 ( -2.085 -0.298 -0.000) 2.106 19.843 ( -7.890 7.113 -0.000) 10.623 20.258 ( -4.166 -4.078 0.000) 5.830 20.387 ( -6.069 -11.672 0.000) 13.155 20.506 ( -6.201 7.549 -0.000) 9.769 20.514 ( 6.782 12.185 -0.000) 13.945 20.747 ( -0.496 -5.984 0.000) 6.005 21.108 ( -4.664 7.212 -0.000) 8.589 21.366 ( 5.806 -16.096 0.000) 17.111 21.948 ( -0.655 3.431 -0.000) 3.492 22.034 ( 12.566 -14.480 0.000) 19.173 22.539 ( -4.065 -7.936 0.000) 8.916 22.801 ( -1.108 -0.196 -0.000) 1.125 23.094 ( -13.208 6.912 -0.000) 14.907 23.314 ( 0.932 5.327 -0.000) 5.408 23.334 ( 2.994 6.940 -0.000) 7.558 23.443 ( -2.986 5.925 -0.000) 6.635 23.485 ( 5.617 -1.674 0.000) 5.861 23.757 ( -2.550 -9.043 0.000) 9.396 23.881 ( 5.976 -6.378 0.000) 8.740 24.546 ( 11.362 9.290 -0.000) 14.677 24.716 ( 10.797 -6.557 0.000) 12.632 24.961 ( 2.250 -6.570 0.000) 6.944 25.187 ( -9.926 -2.354 0.000) 10.201 25.382 ( 7.707 2.235 -0.000) 8.025 25.748 ( -17.745 7.779 -0.000) 19.375 26.499 ( -19.665 3.082 -0.000) 19.905 26.719 ( -15.718 -4.517 0.000) 16.354 26.749 ( 0.362 -4.171 0.000) 4.186 27.203 ( -17.179 4.257 -0.000) 17.699 28.186 ( 0.991 -4.008 0.000) 4.128 28.239 ( -2.006 1.409 -0.000) 2.452 28.453 ( 5.069 9.870 -0.000) 11.095 29.667 ( 39.340 0.920 0.000) 39.351 29.736 ( 5.177 12.174 -0.000) 13.229 30.120 ( 0.164 -1.144 0.000) 1.156 30.546 ( 2.054 -16.879 0.000) 17.003 30.955 ( 13.003 6.218 -0.000) 14.413 31.225 ( 14.703 -5.114 0.000) 15.567 31.448 ( -5.899 -2.730 0.000) 6.500 31.917 ( -0.447 -0.685 0.000) 0.818 32.238 ( -15.472 11.635 -0.000) 19.359 32.349 ( 13.119 3.202 -0.000) 13.504 32.556 ( 1.336 -2.417 0.000) 2.762 32.627 ( -26.775 -0.791 -0.000) 26.786 33.385 ( -4.193 0.436 -0.000) 4.216 33.390 ( -4.371 0.706 -0.000) 4.428 33.733 ( -5.365 3.354 -0.000) 6.327 33.752 ( -6.025 -4.398 0.000) 7.459 33.974 ( -9.580 -7.009 0.000) 11.870 34.140 ( -8.447 4.493 -0.000) 9.568 35.432 ( -2.453 0.225 -0.000) 2.463 35.475 ( -0.949 -10.805 0.000) 10.847 36.231 ( 11.816 4.899 -0.000) 12.792 36.642 ( 5.292 -0.639 0.000) 5.330 38.250 ( -14.685 8.844 -0.000) 17.143 38.333 ( -1.678 0.033 -0.000) 1.678 38.765 ( 8.593 -4.395 0.000) 9.652 39.274 ( 1.115 5.978 -0.000) 6.081 39.713 ( -8.078 -9.218 0.000) 12.257 40.112 ( -1.514 2.581 -0.000) 2.992 41.349 ( -6.436 0.059 -0.000) 6.436 ======================= Grid point 10 (10/50) ======================= q-point: (-0.29 -0.38 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -13.569 0.716 -3.068) 13.930 1.884 ( -8.010 3.667 -1.364) 8.914 1.968 ( -8.182 -2.875 -6.347) 10.747 2.050 ( -2.305 -0.749 -0.773) 2.544 2.176 ( -2.791 -0.338 1.096) 3.018 2.204 ( 0.051 1.426 1.330) 1.951 2.271 ( -8.845 1.360 1.589) 9.089 2.414 ( -1.312 -6.606 -0.621) 6.764 2.462 ( -0.686 -1.154 -2.066) 2.464 2.617 ( -2.383 2.046 2.549) 4.045 2.645 ( 2.180 1.837 -1.231) 3.105 2.750 ( 0.120 2.753 -2.897) 3.998 2.787 ( -1.984 2.645 1.620) 3.682 2.866 ( -8.709 -0.860 0.341) 8.758 2.959 ( -4.859 -0.125 1.244) 5.017 3.018 ( -0.862 -5.274 -2.420) 5.866 3.060 ( -1.703 0.497 -2.399) 2.983 3.203 ( 1.258 -0.751 0.671) 1.612 3.769 ( 9.662 0.033 5.524) 11.130 4.651 ( -13.416 1.040 0.130) 13.457 4.724 ( -7.089 -1.587 -0.631) 7.292 5.305 ( 0.887 -3.051 -0.151) 3.181 5.625 ( -7.011 0.362 0.428) 7.033 5.690 ( -2.182 4.768 1.691) 5.510 6.008 ( -4.029 1.972 -2.335) 5.057 6.124 ( -4.518 1.739 -0.978) 4.939 6.203 ( 1.314 0.489 -1.857) 2.327 6.270 ( 2.708 -2.047 -0.917) 3.516 6.489 ( -12.902 -6.328 0.155) 14.371 6.703 ( 1.910 -1.888 -1.155) 2.923 6.742 ( 3.120 -0.268 3.233) 4.501 6.926 ( 1.205 0.824 -0.627) 1.589 6.966 ( 9.056 -0.423 5.776) 10.749 7.048 ( 4.199 2.577 0.857) 5.001 7.249 ( 0.433 -0.883 -2.474) 2.662 7.365 ( -10.194 0.742 -0.965) 10.266 7.444 ( -1.683 6.787 0.172) 6.994 7.835 ( 1.723 -5.949 -0.498) 6.214 11.169 ( 14.303 1.238 0.033) 14.357 11.852 ( 8.315 1.655 -1.168) 8.558 12.759 ( -5.914 -2.646 0.666) 6.513 13.712 ( -23.748 0.635 6.004) 24.504 14.002 ( -7.624 -1.088 -10.302) 12.862 15.062 ( 2.097 -11.492 4.208) 12.416 15.316 ( -23.642 -7.853 -1.182) 24.940 15.545 ( 22.956 4.125 -7.536) 24.511 15.914 ( 0.018 -2.564 2.586) 3.642 16.382 ( -1.203 6.280 2.109) 6.733 17.309 ( 8.027 -7.423 -4.875) 11.971 17.440 ( 4.220 8.753 0.910) 9.760 17.592 ( -2.074 4.834 3.336) 6.228 17.878 ( 3.567 1.802 5.968) 7.182 18.079 ( -11.523 0.443 10.136) 15.353 18.991 ( -7.311 -0.355 -9.182) 11.743 19.404 ( 2.843 -1.568 -11.617) 12.062 19.533 ( -10.115 3.905 1.116) 10.900 19.900 ( 0.486 2.629 -1.677) 3.156 20.012 ( 8.049 2.500 1.397) 8.543 20.242 ( 0.526 -3.217 -3.507) 4.788 20.503 ( -1.066 -7.947 11.143) 13.729 20.612 ( 7.906 -4.921 0.427) 9.323 20.798 ( -0.601 5.246 -3.193) 6.170 21.030 ( -1.411 -0.256 6.475) 6.632 21.892 ( 8.920 12.447 1.429) 15.380 22.126 ( -13.275 -0.479 -2.014) 13.436 22.298 ( 5.860 -6.602 -5.379) 10.337 22.537 ( 5.367 -0.232 -0.388) 5.386 22.776 ( 10.838 -5.623 -3.800) 12.788 22.995 ( 5.994 -0.274 8.876) 10.714 23.085 ( -0.524 -2.519 -5.819) 6.363 23.345 ( 2.153 -0.506 -4.003) 4.573 23.465 ( -0.179 16.201 -1.343) 16.258 23.517 ( 3.619 6.215 -4.420) 8.442 23.815 ( -7.422 -0.266 -5.599) 9.301 24.113 ( -3.403 -4.090 1.621) 5.562 24.334 ( -14.107 -1.145 4.856) 14.963 24.879 ( -9.349 -1.133 -4.481) 10.429 25.087 ( -7.854 -6.754 -0.083) 10.359 25.266 ( 3.334 -0.348 0.763) 3.438 25.381 ( 4.479 5.480 2.616) 7.546 25.491 ( 13.822 1.181 2.346) 14.070 26.192 ( 15.846 -8.101 5.406) 18.600 26.823 ( 18.276 3.400 -5.252) 19.317 26.889 ( 7.942 -4.360 -0.764) 9.092 27.204 ( 13.336 4.783 4.423) 14.842 28.122 ( -1.911 -0.844 -0.064) 2.090 28.190 ( -1.019 -1.969 1.265) 2.552 28.411 ( -4.381 4.559 1.212) 6.437 29.654 ( -19.702 4.616 -0.715) 20.248 29.729 ( -24.861 6.870 0.544) 25.799 30.129 ( -2.055 -3.829 3.194) 5.393 30.314 ( -9.082 -15.739 5.128) 18.881 31.154 ( -7.053 6.265 -5.834) 11.091 31.382 ( -9.846 5.783 -7.344) 13.577 31.552 ( 0.070 -2.241 -9.138) 9.409 31.947 ( 7.002 0.474 0.618) 7.045 32.052 ( 18.883 8.780 2.027) 20.923 32.294 ( -13.454 -0.106 3.705) 13.955 32.499 ( -5.070 -5.062 1.326) 7.286 32.703 ( 27.770 -0.007 1.614) 27.817 33.289 ( 0.034 -3.223 3.674) 4.888 33.578 ( 0.374 -0.334 13.252) 13.262 33.684 ( 5.212 -0.045 1.337) 5.381 33.773 ( 3.741 -1.099 -1.740) 4.269 33.919 ( 13.444 -4.223 0.118) 14.092 34.266 ( 9.385 3.484 1.218) 10.085 34.895 ( 3.138 1.843 -25.350) 25.610 35.525 ( 3.060 -16.071 0.026) 16.359 36.230 ( -21.192 8.396 11.354) 25.466 37.414 ( 3.731 8.180 20.471) 22.358 37.704 ( 11.556 -0.538 -23.722) 26.392 38.428 ( 5.049 1.923 3.470) 6.422 38.763 ( -8.608 -4.381 0.067) 9.659 39.292 ( -1.616 6.234 -0.335) 6.449 39.701 ( 6.791 -8.721 0.654) 11.073 40.116 ( 3.360 2.238 -0.301) 4.048 41.353 ( 6.423 0.202 -0.165) 6.428 ======================= Grid point 11 (11/50) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.000 -13.052 -13.478) 18.762 0.967 ( -0.000 -17.512 -22.649) 28.629 1.197 ( 0.000 0.297 -11.477) 11.481 1.368 ( -0.000 -23.879 -22.016) 32.479 1.953 ( 0.000 9.498 8.640) 12.840 2.015 ( 0.000 2.640 1.210) 2.904 2.197 ( -0.000 -2.050 -2.484) 3.220 2.312 ( -0.000 -2.335 -2.646) 3.529 2.379 ( -0.000 -2.304 4.372) 4.942 2.386 ( -0.000 -7.148 0.045) 7.148 2.538 ( 0.000 2.569 -1.963) 3.233 2.651 ( 0.000 0.070 -0.919) 0.921 2.696 ( -0.000 -1.404 0.127) 1.409 2.774 ( 0.000 6.646 -3.041) 7.309 2.898 ( 0.000 4.693 2.819) 5.475 2.983 ( -0.000 -3.850 3.818) 5.422 3.155 ( 0.000 1.934 7.231) 7.485 3.266 ( -0.000 -0.906 -1.282) 1.570 3.669 ( -0.000 -0.638 -0.204) 0.670 4.473 ( -0.000 -9.757 4.250) 10.642 4.685 ( 0.000 2.507 1.733) 3.048 5.037 ( 0.000 0.053 0.025) 0.058 5.248 ( 0.000 11.999 -0.111) 11.999 5.640 ( 0.000 13.819 3.612) 14.283 5.852 ( 0.000 9.145 -2.868) 9.584 5.988 ( 0.000 5.731 -6.887) 8.959 6.131 ( -0.000 -24.594 -0.431) 24.597 6.238 ( -0.000 -0.423 5.270) 5.287 6.356 ( -0.000 -0.163 -1.518) 1.527 6.449 ( -0.000 -0.039 2.405) 2.406 6.895 ( -0.000 -0.092 1.149) 1.153 6.941 ( -0.000 -16.812 -4.694) 17.454 6.998 ( 0.000 3.347 -0.208) 3.353 7.185 ( 0.000 15.603 -1.229) 15.651 7.300 ( -0.000 -2.189 -11.180) 11.392 7.522 ( 0.000 3.764 9.454) 10.176 7.672 ( 0.000 2.200 8.387) 8.671 7.783 ( -0.000 -7.137 -0.860) 7.189 11.740 ( 0.000 0.044 -0.045) 0.063 12.008 ( -0.000 -9.545 -21.216) 23.264 12.503 ( 0.000 5.087 4.314) 6.670 13.141 ( 0.000 4.379 8.316) 9.399 13.588 ( -0.000 -3.275 8.431) 9.045 14.063 ( -0.000 -1.426 0.386) 1.477 15.157 ( -0.000 -11.245 -17.606) 20.890 15.199 ( -0.000 -3.753 -5.064) 6.303 15.840 ( -0.000 -10.639 15.748) 19.004 16.865 ( 0.000 3.914 6.410) 7.510 17.251 ( 0.000 0.547 0.330) 0.639 17.282 ( 0.000 10.541 -12.521) 16.367 17.481 ( 0.000 0.125 1.087) 1.094 17.847 ( -0.000 -7.212 -0.005) 7.212 18.747 ( 0.000 1.380 4.384) 4.596 18.797 ( -0.000 -6.228 -1.381) 6.379 18.871 ( -0.000 -8.499 23.954) 25.417 19.387 ( -0.000 -0.915 3.878) 3.985 19.944 ( -0.000 -1.950 5.834) 6.152 19.959 ( -0.000 -1.326 -1.442) 1.959 20.297 ( 0.000 4.027 -8.200) 9.136 20.614 ( 0.000 12.524 -5.133) 13.535 20.722 ( -0.000 -0.770 7.903) 7.940 20.904 ( -0.000 -5.552 -4.731) 7.294 21.157 ( 0.000 3.795 2.414) 4.498 21.675 ( -0.000 -21.347 2.678) 21.514 22.472 ( 0.000 23.372 -12.213) 26.371 22.512 ( 0.000 2.691 1.655) 3.159 22.871 ( -0.000 -2.620 -1.621) 3.081 22.987 ( 0.000 3.566 -3.071) 4.706 23.018 ( 0.000 0.034 -3.138) 3.138 23.286 ( -0.000 -0.325 -0.615) 0.696 23.340 ( -0.000 -0.921 -0.198) 0.942 23.440 ( -0.000 -4.217 -3.123) 5.248 23.510 ( 0.000 3.593 1.434) 3.868 23.766 ( 0.000 1.148 3.536) 3.718 23.896 ( -0.000 -7.503 -1.427) 7.638 24.054 ( 0.000 7.379 -0.884) 7.431 24.375 ( -0.000 -1.645 3.921) 4.252 24.615 ( -0.000 -0.238 0.226) 0.328 25.603 ( 0.000 2.133 -4.141) 4.658 25.716 ( 0.000 1.778 -10.338) 10.489 25.862 ( 0.000 0.942 0.564) 1.097 26.696 ( -0.000 -19.867 2.844) 20.069 27.278 ( 0.000 0.434 5.665) 5.682 27.509 ( 0.000 1.969 -1.173) 2.292 27.855 ( 0.000 18.458 -2.292) 18.600 27.862 ( 0.000 0.067 0.178) 0.190 28.236 ( 0.000 0.667 -8.220) 8.247 28.351 ( -0.000 -2.754 7.017) 7.538 28.651 ( 0.000 11.930 -10.039) 15.592 28.705 ( 0.000 0.463 -0.611) 0.766 30.073 ( -0.000 -1.719 0.538) 1.801 30.165 ( 0.000 2.092 -0.168) 2.099 30.675 ( -0.000 -1.060 -5.449) 5.551 30.846 ( -0.000 -4.616 2.932) 5.468 31.678 ( 0.000 2.087 2.453) 3.221 31.737 ( -0.000 -1.462 0.233) 1.481 32.095 ( 0.000 5.059 0.194) 5.063 32.286 ( 0.000 4.666 -9.649) 10.718 33.073 ( -0.000 -5.347 -0.147) 5.349 33.104 ( -0.000 -0.053 1.088) 1.089 33.637 ( 0.000 9.031 2.283) 9.315 33.696 ( -0.000 -14.333 -2.026) 14.475 33.910 ( 0.000 4.644 -1.492) 4.878 33.947 ( 0.000 0.015 0.208) 0.208 34.436 ( -0.000 -12.053 0.216) 12.055 34.603 ( 0.000 14.958 0.781) 14.978 34.697 ( -0.000 -0.962 -1.401) 1.699 35.386 ( 0.000 3.327 6.936) 7.693 36.195 ( -0.000 -8.934 13.192) 15.932 37.350 ( -0.000 -5.207 -21.399) 22.024 38.311 ( 0.000 3.766 10.499) 11.154 38.410 ( -0.000 -1.721 -0.057) 1.722 38.904 ( 0.000 6.062 1.988) 6.380 39.069 ( 0.000 0.463 -0.151) 0.487 40.116 ( -0.000 -10.234 7.230) 12.531 40.224 ( 0.000 1.772 -3.826) 4.217 41.662 ( 0.000 0.044 -0.235) 0.239 ======================= Grid point 12 (12/50) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 12.350 -0.000 2.899) 12.686 1.981 ( 6.411 -0.000 2.090) 6.743 2.012 ( 4.610 -0.000 2.057) 5.048 2.111 ( -5.298 0.000 -1.431) 5.488 2.151 ( 0.705 0.000 -2.339) 2.443 2.234 ( 3.938 -0.000 1.411) 4.183 2.323 ( 0.745 0.000 -0.252) 0.786 2.430 ( -2.720 -0.000 0.220) 2.729 2.476 ( 3.466 0.000 -2.177) 4.093 2.567 ( -2.233 -0.000 1.855) 2.903 2.636 ( 3.721 -0.000 5.484) 6.627 2.782 ( 0.295 0.000 -3.510) 3.522 2.869 ( 1.371 -0.000 0.316) 1.407 2.929 ( -0.139 0.000 -0.450) 0.471 3.000 ( 3.181 -0.000 0.588) 3.235 3.042 ( 0.923 0.000 -1.761) 1.989 3.076 ( 1.729 0.000 -0.462) 1.790 3.167 ( -0.399 -0.000 0.161) 0.430 3.723 ( -5.963 -0.000 0.186) 5.966 4.823 ( 3.878 0.000 -0.072) 3.879 4.847 ( 4.088 0.000 -1.224) 4.267 5.203 ( -2.147 0.000 -0.270) 2.163 5.731 ( 2.460 0.000 -0.272) 2.475 5.807 ( -2.531 0.000 -2.072) 3.271 6.015 ( 2.501 -0.000 0.455) 2.542 6.163 ( 3.134 0.000 -0.712) 3.213 6.216 ( 1.954 -0.000 0.275) 1.973 6.223 ( -1.293 0.000 -2.078) 2.448 6.536 ( 3.175 -0.000 9.648) 10.157 6.610 ( 6.086 -0.000 2.074) 6.430 6.792 ( -6.452 -0.000 6.406) 9.092 6.879 ( 1.684 0.000 -4.132) 4.462 6.923 ( 0.056 0.000 -0.141) 0.152 7.119 ( -6.378 0.000 -7.510) 9.853 7.203 ( -2.559 0.000 -5.781) 6.322 7.409 ( -4.867 -0.000 1.748) 5.172 7.627 ( 8.989 -0.000 1.116) 9.058 7.761 ( 1.681 0.000 0.145) 1.688 10.970 ( -6.703 -0.000 -0.069) 6.704 11.658 ( 1.512 -0.000 7.440) 7.592 12.808 ( 1.055 0.000 -0.821) 1.337 14.046 ( 5.509 0.000 -6.943) 8.863 14.400 ( 14.537 0.000 -6.396) 15.882 14.836 ( 0.108 -0.000 4.734) 4.735 14.944 ( -16.747 -0.000 6.123) 17.831 15.568 ( 13.987 0.000 -0.019) 13.987 15.845 ( 0.826 -0.000 3.176) 3.282 16.464 ( -3.039 0.000 -0.355) 3.060 17.055 ( -10.057 0.000 -7.470) 12.528 17.534 ( -1.657 0.000 -0.212) 1.671 17.657 ( -1.202 -0.000 3.585) 3.781 18.004 ( 1.060 -0.000 0.295) 1.100 18.582 ( -2.165 -0.000 5.923) 6.307 19.028 ( 7.635 0.000 -20.563) 21.935 19.103 ( 3.189 -0.000 3.174) 4.500 19.738 ( 5.167 -0.000 3.106) 6.028 19.857 ( 4.341 -0.000 6.649) 7.941 20.051 ( -8.057 0.000 -3.113) 8.637 20.168 ( 1.087 0.000 -3.983) 4.129 20.308 ( -10.456 0.000 -5.244) 11.697 20.685 ( -3.871 -0.000 8.773) 9.589 20.772 ( 2.283 0.000 -3.210) 3.939 21.084 ( -2.499 0.000 -0.429) 2.536 21.818 ( 5.734 -0.000 27.081) 27.681 22.036 ( 0.431 -0.000 1.068) 1.151 22.264 ( 11.278 0.000 -1.474) 11.374 22.373 ( 6.059 0.000 -1.582) 6.262 22.630 ( -2.168 0.000 -6.903) 7.235 22.793 ( -16.763 -0.000 -1.407) 16.822 23.188 ( -3.239 0.000 -10.939) 11.409 23.292 ( 0.186 0.000 -2.601) 2.608 23.558 ( -0.410 -0.000 1.913) 1.956 23.763 ( 6.654 0.000 0.137) 6.656 23.766 ( 0.999 -0.000 4.228) 4.345 23.990 ( 5.940 -0.000 7.295) 9.407 24.660 ( 9.606 0.000 -3.345) 10.171 24.906 ( -2.995 -0.000 2.789) 4.093 24.984 ( 1.565 0.000 -1.929) 2.484 25.243 ( 10.108 -0.000 6.432) 11.981 25.362 ( -6.326 -0.000 0.340) 6.335 25.459 ( -8.769 0.000 -2.868) 9.226 25.980 ( -16.581 0.000 -7.890) 18.362 26.498 ( -3.408 0.000 -3.059) 4.580 26.776 ( -0.069 -0.000 2.006) 2.007 27.064 ( -6.956 -0.000 4.830) 8.468 28.147 ( 0.340 0.000 -0.130) 0.364 28.184 ( -1.197 0.000 -1.617) 2.012 28.585 ( 0.390 0.000 -1.465) 1.516 29.980 ( -1.774 0.000 -1.340) 2.223 30.094 ( -1.463 -0.000 1.408) 2.030 30.216 ( 5.965 0.000 -1.846) 6.244 30.432 ( 24.716 0.000 1.131) 24.742 31.235 ( 3.015 0.000 -1.378) 3.315 31.447 ( 9.594 -0.000 1.206) 9.669 31.479 ( 9.563 -0.000 5.458) 11.011 31.848 ( -12.007 0.000 -3.014) 12.379 32.015 ( -4.099 0.000 -4.718) 6.250 32.111 ( -23.778 -0.000 -0.136) 23.778 32.487 ( 1.597 0.000 -0.850) 1.809 32.605 ( 5.954 0.000 0.456) 5.972 33.297 ( -2.997 -0.000 0.104) 2.999 33.582 ( -8.320 -0.000 0.843) 8.363 33.601 ( -3.076 0.000 -1.077) 3.259 33.624 ( -1.294 -0.000 17.992) 18.038 33.825 ( 3.447 0.000 -3.468) 4.889 34.121 ( -4.364 -0.000 3.624) 5.673 34.863 ( -0.869 0.000 -26.925) 26.939 35.289 ( -1.007 -0.000 -0.019) 1.007 36.862 ( -0.775 -0.000 29.572) 29.582 36.946 ( 13.556 0.000 -3.286) 13.948 37.818 ( -9.411 0.000 -16.554) 19.042 38.383 ( -2.616 -0.000 2.337) 3.508 38.846 ( 4.942 0.000 -0.036) 4.942 39.368 ( -5.339 -0.000 0.119) 5.341 39.484 ( 2.080 -0.000 0.450) 2.128 40.106 ( -1.443 0.000 -0.313) 1.476 41.261 ( -2.471 -0.000 0.096) 2.473 ======================= Grid point 13 (13/50) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -20.872 0.000 -10.253) 23.255 1.345 ( -21.912 0.000 -10.937) 24.490 1.634 ( -12.956 0.000 -9.848) 16.274 1.822 ( -26.522 0.000 -10.118) 28.387 2.109 ( -4.067 -0.000 3.602) 5.433 2.183 ( -1.130 -0.000 1.015) 1.519 2.230 ( -5.476 -0.000 2.908) 6.200 2.275 ( 0.564 0.000 -5.966) 5.993 2.297 ( -1.286 -0.000 0.591) 1.416 2.494 ( -4.401 -0.000 0.709) 4.457 2.652 ( 0.967 0.000 -2.577) 2.752 2.718 ( -5.700 -0.000 0.216) 5.704 2.742 ( -3.174 0.000 -1.446) 3.488 2.867 ( -2.545 0.000 -2.298) 3.429 2.913 ( -0.838 -0.000 1.543) 1.756 2.931 ( 0.550 -0.000 2.289) 2.354 3.118 ( 2.352 -0.000 7.075) 7.456 3.213 ( 1.462 0.000 -1.026) 1.786 4.161 ( 14.262 -0.000 3.639) 14.719 4.325 ( -20.723 -0.000 -0.505) 20.729 4.521 ( -8.405 -0.000 1.077) 8.474 5.383 ( 5.857 -0.000 0.693) 5.898 5.459 ( -10.684 -0.000 -0.095) 10.685 5.784 ( -2.671 -0.000 2.587) 3.719 5.954 ( -5.280 0.000 -4.948) 7.236 6.052 ( 2.969 -0.000 2.343) 3.782 6.214 ( -6.095 -0.000 7.657) 9.787 6.241 ( 0.348 0.000 -1.972) 2.003 6.246 ( -1.550 0.000 -0.954) 1.820 6.521 ( 1.302 0.000 -8.497) 8.596 6.811 ( -5.184 -0.000 4.689) 6.990 6.885 ( -4.249 -0.000 0.289) 4.259 6.989 ( 0.716 0.000 -0.747) 1.035 7.168 ( 2.451 0.000 -10.849) 11.122 7.421 ( 7.204 -0.000 9.275) 11.744 7.447 ( 7.079 -0.000 6.812) 9.824 7.605 ( -5.443 -0.000 -0.090) 5.443 7.619 ( 2.223 0.000 -1.942) 2.952 11.462 ( 13.156 0.000 0.012) 13.156 11.738 ( 5.048 0.000 -18.958) 19.618 12.681 ( -4.409 -0.000 2.637) 5.137 13.591 ( -18.544 -0.000 12.797) 22.531 13.693 ( -8.996 -0.000 4.641) 10.122 14.681 ( -24.690 -0.000 -1.408) 24.730 14.895 ( 1.531 0.000 -8.746) 8.879 15.715 ( -4.293 0.000 -8.613) 9.624 15.933 ( 23.368 0.000 -5.349) 23.972 16.660 ( 4.096 -0.000 8.835) 9.739 17.139 ( -8.225 -0.000 5.014) 9.633 17.665 ( 2.860 -0.000 1.812) 3.386 17.748 ( -5.393 0.000 -0.497) 5.416 17.985 ( -27.391 -0.000 20.118) 33.985 18.240 ( 23.577 -0.000 5.580) 24.229 18.782 ( -3.744 0.000 -3.663) 5.238 19.195 ( 5.858 0.000 -11.675) 13.063 19.375 ( -18.620 -0.000 19.522) 26.978 19.837 ( 2.530 0.000 -3.443) 4.273 20.147 ( -1.373 -0.000 3.894) 4.129 20.446 ( 12.952 0.000 -0.350) 12.957 20.618 ( -6.817 0.000 -4.588) 8.217 20.661 ( -1.748 -0.000 7.361) 7.565 20.795 ( 7.852 0.000 0.272) 7.857 21.158 ( 1.438 -0.000 5.759) 5.936 21.630 ( -14.141 0.000 -10.044) 17.345 21.941 ( 13.389 0.000 -42.072) 44.151 22.239 ( 13.543 0.000 -3.544) 13.999 22.560 ( 9.485 0.000 -7.454) 12.063 22.780 ( 4.527 -0.000 7.000) 8.336 23.187 ( -0.092 -0.000 8.342) 8.342 23.312 ( 0.572 0.000 -1.138) 1.273 23.358 ( 5.424 -0.000 5.710) 7.876 23.463 ( -3.922 0.000 -2.343) 4.568 23.526 ( -4.448 0.000 -5.759) 7.277 23.723 ( -5.864 0.000 -6.317) 8.620 23.733 ( 0.630 -0.000 0.437) 0.766 24.338 ( -6.566 -0.000 6.261) 9.072 24.518 ( -15.378 0.000 -1.441) 15.445 24.756 ( -10.322 0.000 -1.634) 10.450 25.403 ( 13.742 0.000 -2.270) 13.928 25.452 ( 4.636 0.000 -9.510) 10.580 26.049 ( 15.129 -0.000 15.994) 22.016 26.502 ( 1.358 -0.000 7.577) 7.698 26.931 ( 11.897 0.000 -0.335) 11.902 27.236 ( 25.346 0.000 -8.312) 26.674 27.560 ( 14.439 0.000 -0.880) 14.465 28.110 ( -1.098 -0.000 1.525) 1.879 28.256 ( 1.737 -0.000 3.078) 3.534 28.414 ( -7.602 -0.000 2.899) 8.136 28.928 ( -34.497 -0.000 -1.461) 34.528 29.800 ( -16.988 -0.000 12.297) 20.971 30.090 ( 2.021 -0.000 1.706) 2.644 30.137 ( 0.776 -0.000 0.959) 1.234 30.894 ( -9.908 0.000 -7.366) 12.347 30.981 ( -11.621 0.000 -7.636) 13.905 31.505 ( 6.694 -0.000 1.267) 6.813 32.028 ( 5.559 0.000 -5.423) 7.766 32.052 ( -15.860 -0.000 2.520) 16.059 32.314 ( -5.990 -0.000 0.459) 6.008 32.756 ( 21.472 -0.000 7.450) 22.728 33.178 ( 18.412 0.000 -4.647) 18.989 33.382 ( 0.572 -0.000 6.714) 6.738 33.653 ( 1.576 0.000 -7.151) 7.323 33.745 ( 1.130 -0.000 2.238) 2.507 33.771 ( 3.901 0.000 0.018) 3.901 34.243 ( 19.382 0.000 -0.606) 19.392 34.326 ( 1.472 0.000 -3.572) 3.864 35.001 ( 4.881 -0.000 17.771) 18.429 35.379 ( 2.818 0.000 0.025) 2.818 36.077 ( -18.656 -0.000 3.326) 18.950 37.090 ( 3.655 0.000 -34.207) 34.402 38.130 ( 6.202 -0.000 17.593) 18.654 38.547 ( -7.437 -0.000 -0.001) 7.437 38.686 ( 11.474 0.000 0.064) 11.474 39.354 ( -4.502 -0.000 1.775) 4.839 39.709 ( 8.827 0.000 -0.831) 8.866 40.183 ( 2.089 0.000 -1.345) 2.485 41.488 ( 7.270 0.000 -0.090) 7.271 ======================= Grid point 14 (14/50) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 28.263 0.000 0.000) 28.263 0.639 ( 31.940 0.000 0.000) 31.940 0.902 ( 44.394 0.000 0.000) 44.394 1.180 ( 14.348 0.000 0.000) 14.348 2.120 ( 1.376 0.000 0.000) 1.376 2.167 ( 1.161 0.000 0.000) 1.161 2.189 ( 3.468 0.000 0.000) 3.468 2.222 ( -0.642 -0.000 -0.000) 0.642 2.293 ( 0.020 0.000 0.000) 0.020 2.460 ( 2.447 0.000 0.000) 2.447 2.612 ( 4.079 0.000 0.000) 4.079 2.616 ( 0.218 0.000 0.000) 0.218 2.688 ( 0.193 0.000 0.000) 0.193 2.773 ( 2.887 0.000 0.000) 2.887 2.932 ( 0.519 0.000 0.000) 0.519 2.967 ( -0.407 -0.000 -0.000) 0.407 3.214 ( -0.765 -0.000 -0.000) 0.765 3.273 ( -2.425 -0.000 -0.000) 2.425 3.896 ( 18.756 0.000 0.000) 18.756 4.407 ( 4.689 0.000 0.000) 4.689 4.522 ( -16.866 -0.000 -0.000) 16.866 5.227 ( 12.644 0.000 0.000) 12.644 5.491 ( -3.959 -0.000 -0.000) 3.959 5.779 ( 1.847 0.000 0.000) 1.847 5.799 ( 3.137 0.000 0.000) 3.137 6.162 ( 4.041 0.000 0.000) 4.041 6.162 ( -3.088 -0.000 -0.000) 3.088 6.185 ( 0.119 0.000 0.000) 0.119 6.323 ( -0.635 -0.000 -0.000) 0.635 6.448 ( -0.938 -0.000 -0.000) 0.938 6.704 ( 7.661 0.000 0.000) 7.661 6.932 ( -1.299 -0.000 -0.000) 1.299 6.979 ( -1.222 -0.000 -0.000) 1.222 7.060 ( -3.396 -0.000 -0.000) 3.396 7.494 ( 3.939 0.000 0.000) 3.939 7.611 ( -0.044 -0.000 -0.000) 0.044 7.637 ( -4.232 -0.000 -0.000) 4.232 7.674 ( -4.135 -0.000 -0.000) 4.135 11.514 ( -2.188 -0.000 -0.000) 2.188 11.667 ( -7.486 -0.000 -0.000) 7.486 12.649 ( 2.616 0.000 0.000) 2.616 13.484 ( 9.748 0.000 0.000) 9.748 13.708 ( 2.967 0.000 0.000) 2.967 14.224 ( 18.734 0.000 0.000) 18.734 14.714 ( 0.414 0.000 0.000) 0.414 15.517 ( 2.855 0.000 0.000) 2.855 16.443 ( -30.038 -0.000 -0.000) 30.038 16.926 ( -6.095 -0.000 -0.000) 6.095 17.079 ( 5.456 0.000 0.000) 5.456 17.574 ( 6.773 0.000 0.000) 6.773 17.747 ( -2.090 -0.000 -0.000) 2.090 17.747 ( 31.168 0.000 0.000) 31.168 18.652 ( 0.063 0.000 0.000) 0.063 18.862 ( -25.000 -0.000 -0.000) 25.000 19.140 ( -4.515 -0.000 -0.000) 4.515 19.861 ( -2.804 -0.000 -0.000) 2.804 20.196 ( 0.530 0.000 0.000) 0.530 20.286 ( 15.664 0.000 0.000) 15.664 20.286 ( -5.597 -0.000 -0.000) 5.597 20.470 ( 0.363 0.000 0.000) 0.363 20.696 ( 0.967 0.000 0.000) 0.967 20.726 ( 0.987 0.000 0.000) 0.987 20.976 ( -5.441 -0.000 -0.000) 5.441 21.283 ( 8.038 0.000 0.000) 8.038 21.288 ( -0.043 -0.000 -0.000) 0.043 22.509 ( -18.360 -0.000 -0.000) 18.360 22.598 ( -4.406 -0.000 -0.000) 4.406 22.991 ( -3.657 -0.000 -0.000) 3.657 23.167 ( 10.444 0.000 0.000) 10.444 23.196 ( 4.009 0.000 0.000) 4.009 23.317 ( 6.190 0.000 0.000) 6.190 23.380 ( 1.820 0.000 0.000) 1.820 23.561 ( -4.120 -0.000 -0.000) 4.120 23.693 ( -4.774 -0.000 -0.000) 4.774 23.775 ( -2.388 -0.000 -0.000) 2.388 24.230 ( 10.220 0.000 0.000) 10.220 24.243 ( 10.654 0.000 0.000) 10.654 24.566 ( 7.579 0.000 0.000) 7.579 25.404 ( -6.728 -0.000 -0.000) 6.728 25.677 ( -15.839 -0.000 -0.000) 15.839 26.436 ( 10.420 0.000 0.000) 10.420 26.819 ( -24.908 -0.000 -0.000) 24.908 27.224 ( -12.166 -0.000 -0.000) 12.166 27.380 ( -13.831 -0.000 -0.000) 13.831 27.684 ( 4.609 0.000 0.000) 4.609 28.103 ( 18.367 0.000 0.000) 18.367 28.122 ( 0.186 0.000 0.000) 0.186 28.376 ( -0.330 -0.000 -0.000) 0.330 28.511 ( 5.357 0.000 0.000) 5.357 29.811 ( 6.681 0.000 0.000) 6.681 30.093 ( 2.555 0.000 0.000) 2.555 30.175 ( -1.447 -0.000 -0.000) 1.447 30.645 ( 5.910 0.000 0.000) 5.910 30.729 ( 5.517 0.000 0.000) 5.517 31.691 ( -5.781 -0.000 -0.000) 5.781 31.835 ( 9.066 0.000 0.000) 9.066 31.941 ( -1.107 -0.000 -0.000) 1.107 32.219 ( 3.993 0.000 0.000) 3.993 33.121 ( -0.924 -0.000 -0.000) 0.924 33.383 ( -17.042 -0.000 -0.000) 17.042 33.508 ( -6.742 -0.000 -0.000) 6.742 33.675 ( -2.959 -0.000 -0.000) 2.959 33.827 ( -1.799 -0.000 -0.000) 1.799 33.861 ( -7.876 -0.000 -0.000) 7.876 34.280 ( 8.605 0.000 0.000) 8.605 34.539 ( -11.817 -0.000 -0.000) 11.817 35.426 ( -1.820 -0.000 -0.000) 1.820 35.530 ( -1.729 -0.000 -0.000) 1.729 35.696 ( 10.165 0.000 0.000) 10.165 36.522 ( 0.576 0.000 0.000) 0.576 38.411 ( -1.614 -0.000 -0.000) 1.614 38.429 ( 4.382 0.000 0.000) 4.382 38.908 ( -10.189 -0.000 -0.000) 10.189 39.324 ( 2.703 0.000 0.000) 2.703 39.833 ( -5.013 -0.000 -0.000) 5.013 40.185 ( -0.641 -0.000 -0.000) 0.641 41.611 ( -4.775 -0.000 -0.000) 4.775 ======================= Grid point 15 (15/50) ======================= q-point: ( 0.18 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -11.093 3.154 -0.598) 11.548 1.982 ( -6.475 -1.986 -2.066) 7.081 1.999 ( -4.730 1.535 -2.716) 5.666 2.100 ( 5.150 -0.832 0.282) 5.224 2.142 ( 0.129 -1.060 2.805) 3.001 2.244 ( -2.778 0.858 -1.688) 3.361 2.382 ( -1.737 4.583 0.358) 4.914 2.454 ( 0.016 1.571 0.640) 1.696 2.487 ( -2.204 1.583 1.363) 3.037 2.557 ( 1.073 -1.234 -1.832) 2.456 2.609 ( -0.280 -0.896 -4.709) 4.802 2.728 ( 0.685 -4.670 4.625) 6.608 2.841 ( -0.885 -1.774 -1.352) 2.400 2.983 ( -1.267 1.517 0.048) 1.977 3.028 ( -2.353 -0.814 1.115) 2.728 3.048 ( -3.408 4.302 -0.313) 5.497 3.077 ( -0.153 0.503 1.371) 1.468 3.182 ( 0.336 1.100 -0.852) 1.431 3.700 ( 5.101 -1.820 -0.110) 5.417 4.805 ( -2.332 -1.405 0.183) 2.729 4.847 ( -4.940 -0.034 1.004) 5.041 5.286 ( 0.765 6.579 0.222) 6.627 5.722 ( -2.343 -0.689 0.254) 2.455 5.762 ( 0.533 -3.714 1.383) 3.999 6.026 ( -3.011 0.892 0.039) 3.141 6.165 ( -1.465 0.157 1.122) 1.852 6.205 ( -3.753 -0.537 -0.297) 3.803 6.232 ( 2.503 0.489 2.006) 3.245 6.546 ( -0.973 1.070 -8.861) 8.978 6.621 ( -4.221 0.864 -2.342) 4.904 6.794 ( 6.579 0.160 -6.609) 9.327 6.875 ( 0.677 -0.714 3.719) 3.847 6.914 ( -1.148 -0.629 0.233) 1.330 7.056 ( 4.654 -4.196 6.169) 8.793 7.202 ( 2.474 -0.079 5.816) 6.321 7.458 ( -0.343 3.216 -0.370) 3.256 7.594 ( -9.109 -2.513 -1.347) 9.545 7.787 ( 1.624 1.794 -0.151) 2.424 10.951 ( 6.738 -1.395 0.065) 6.881 11.681 ( -0.534 1.891 -6.182) 6.487 12.850 ( -1.588 3.105 0.738) 3.565 14.055 ( -5.725 0.624 7.333) 9.324 14.318 ( -14.807 -5.842 4.276) 16.482 14.937 ( 17.270 0.154 -4.752) 17.912 15.014 ( 0.244 13.474 -5.475) 14.546 15.741 ( -15.469 13.242 1.008) 20.388 15.907 ( -0.828 4.779 -3.059) 5.735 16.380 ( 2.176 -5.957 0.308) 6.349 17.078 ( 11.527 1.213 5.425) 12.798 17.401 ( 3.040 -10.754 1.517) 11.278 17.734 ( -4.361 2.172 -1.912) 5.234 17.792 ( 3.402 -10.932 -3.156) 11.876 18.408 ( 1.414 -13.754 -3.857) 14.355 19.028 ( -5.268 2.224 11.820) 13.131 19.300 ( -4.536 12.700 2.398) 13.698 19.579 ( -1.877 -7.309 -4.645) 8.861 19.894 ( -0.078 -4.802 -5.533) 7.327 20.013 ( 4.731 -1.352 10.115) 11.248 20.198 ( -1.943 2.262 4.594) 5.477 20.475 ( 5.078 13.448 -0.937) 14.406 20.664 ( 4.443 -1.922 -4.115) 6.354 20.738 ( -1.857 -1.331 0.687) 2.385 21.083 ( 1.126 -1.211 -3.745) 4.094 21.718 ( -0.945 -9.815 -11.608) 15.231 22.089 ( -4.746 7.314 -7.083) 11.233 22.332 ( -13.287 3.149 -3.342) 14.058 22.442 ( 2.945 7.165 4.250) 8.836 22.680 ( 6.218 2.916 7.404) 10.099 22.836 ( 7.825 4.929 -4.093) 10.113 23.214 ( 2.918 1.749 11.902) 12.378 23.289 ( -0.374 -0.422 2.284) 2.352 23.410 ( 1.603 -16.911 0.584) 16.997 23.452 ( -2.380 -11.309 -0.544) 11.569 23.879 ( -6.562 4.610 -3.759) 8.857 24.137 ( -3.005 6.745 -6.861) 10.079 24.658 ( -8.786 -0.342 2.515) 9.145 24.865 ( 2.480 -1.893 0.066) 3.121 25.035 ( -1.105 3.007 -1.582) 3.573 25.221 ( -0.923 -0.662 -5.768) 5.879 25.390 ( 3.342 -1.441 2.270) 4.290 25.451 ( 1.900 1.993 0.437) 2.788 26.058 ( 13.879 5.740 7.074) 16.602 26.455 ( 4.910 -3.455 3.566) 6.983 26.811 ( 0.760 3.077 -2.546) 4.065 27.021 ( 6.594 -3.735 -4.474) 8.801 28.168 ( -0.627 -0.007 1.644) 1.759 28.201 ( 1.147 3.633 0.132) 3.812 28.499 ( -1.149 -7.260 0.848) 7.399 29.763 ( -0.751 -10.285 1.141) 10.375 30.061 ( -0.698 -2.014 -2.370) 3.188 30.450 ( -24.079 6.338 1.044) 24.921 30.552 ( -2.846 14.967 0.600) 15.247 31.259 ( -10.171 -0.171 0.349) 10.178 31.363 ( -0.974 -5.774 -4.210) 7.212 31.477 ( -8.902 1.290 0.107) 8.995 31.767 ( 14.284 -8.424 6.640) 17.863 31.938 ( 2.623 -4.142 -0.751) 4.959 32.085 ( 21.908 -0.426 1.497) 21.963 32.573 ( -3.686 3.040 -0.008) 4.778 32.617 ( -3.835 2.377 -0.658) 4.560 33.312 ( 2.576 0.917 -0.368) 2.759 33.574 ( 6.849 -0.574 -0.732) 6.912 33.615 ( 1.077 -0.251 -16.929) 16.965 33.637 ( 3.061 2.590 -0.380) 4.028 33.830 ( -0.206 0.429 4.138) 4.165 34.113 ( 2.766 -0.549 -3.685) 4.640 34.846 ( 0.857 -1.246 26.871) 26.913 35.470 ( 1.703 14.049 -0.132) 14.152 36.794 ( -20.228 -9.197 -7.287) 23.385 36.887 ( 9.298 -0.843 -19.463) 21.587 37.747 ( 8.067 -5.453 17.008) 19.598 38.367 ( 1.886 -1.038 -2.073) 2.988 38.907 ( -4.909 4.457 0.024) 6.631 39.280 ( 0.907 -4.044 -0.267) 4.153 39.605 ( 2.660 6.426 -0.121) 6.956 40.079 ( 1.170 -2.064 0.219) 2.383 41.260 ( 2.481 -0.074 -0.089) 2.484 ======================= Grid point 16 (16/50) ======================= q-point: ( 0.18 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -22.784 16.317 -0.000) 28.025 0.949 ( -20.650 22.481 -0.000) 30.526 1.194 ( -12.636 1.548 -0.000) 12.730 1.235 ( -24.788 28.900 -0.000) 38.075 2.044 ( -1.491 -4.333 0.000) 4.583 2.114 ( -3.969 -5.865 0.000) 7.082 2.164 ( -1.168 -0.561 0.000) 1.295 2.263 ( 0.118 2.915 -0.000) 2.918 2.396 ( 0.329 6.836 -0.000) 6.844 2.493 ( -2.004 2.656 -0.000) 3.327 2.522 ( -4.471 -4.911 0.000) 6.641 2.641 ( -2.421 -0.600 0.000) 2.494 2.688 ( 0.141 -0.690 0.000) 0.704 2.768 ( -3.597 0.094 -0.000) 3.598 2.926 ( 1.168 -3.496 0.000) 3.686 3.035 ( 2.682 3.795 -0.000) 4.647 3.218 ( 0.766 0.271 -0.000) 0.812 3.229 ( 2.347 -3.094 0.000) 3.883 3.877 ( -18.967 -0.704 -0.000) 18.980 4.472 ( 16.661 -4.379 0.000) 17.227 4.542 ( -1.262 9.843 -0.000) 9.924 5.217 ( -12.616 -0.766 -0.000) 12.639 5.304 ( -2.214 -11.220 0.000) 11.436 5.757 ( -2.304 -24.052 0.000) 24.163 5.787 ( -2.542 0.904 -0.000) 2.698 5.844 ( -2.047 3.857 -0.000) 4.366 6.159 ( -0.841 7.205 -0.000) 7.253 6.380 ( -2.890 5.013 -0.000) 5.787 6.408 ( -3.520 5.813 -0.000) 6.796 6.455 ( 1.168 0.213 0.000) 1.188 6.874 ( 0.655 6.641 -0.000) 6.673 6.931 ( -0.424 4.377 -0.000) 4.398 6.982 ( 1.082 0.209 0.000) 1.102 7.083 ( 3.738 2.085 -0.000) 4.280 7.217 ( -4.533 -16.184 0.000) 16.807 7.616 ( 3.927 -1.659 0.000) 4.263 7.640 ( 7.764 -3.153 0.000) 8.380 7.817 ( -1.381 6.716 -0.000) 6.857 11.662 ( 7.868 -0.323 0.000) 7.875 11.677 ( 4.083 14.094 -0.000) 14.674 12.609 ( -4.135 -3.580 0.000) 5.469 13.323 ( -9.720 -12.383 0.000) 15.742 13.786 ( -3.273 6.142 -0.000) 6.960 14.299 ( -19.943 4.997 -0.000) 20.560 14.834 ( -0.162 9.451 -0.000) 9.453 15.467 ( -16.135 -1.511 -0.000) 16.206 16.436 ( -6.734 -18.343 0.000) 19.540 16.513 ( 29.961 6.326 0.000) 30.622 17.153 ( -15.250 -6.027 0.000) 16.398 17.507 ( -2.252 -0.556 0.000) 2.320 17.529 ( -8.173 -8.062 0.000) 11.480 17.978 ( -14.914 10.107 -0.000) 18.016 18.654 ( 6.836 -7.597 0.000) 10.220 18.901 ( -3.313 -9.927 0.000) 10.465 18.910 ( 20.458 3.931 0.000) 20.832 19.903 ( 3.718 0.543 0.000) 3.758 20.087 ( 5.690 -3.023 0.000) 6.443 20.157 ( -5.514 -12.985 0.000) 14.107 20.221 ( -13.587 -3.485 0.000) 14.027 20.537 ( -2.483 -15.544 0.000) 15.741 20.769 ( 5.067 7.400 -0.000) 8.968 21.092 ( 29.716 18.250 -0.000) 34.873 21.118 ( -5.451 19.936 -0.000) 20.668 21.211 ( 6.934 -1.601 0.000) 7.116 21.738 ( -2.497 25.053 -0.000) 25.178 22.373 ( 14.893 -5.515 0.000) 15.881 22.774 ( 6.713 9.791 -0.000) 11.871 22.856 ( 2.473 -3.444 0.000) 4.240 23.118 ( -8.724 -4.447 0.000) 9.791 23.218 ( 0.206 -0.754 0.000) 0.782 23.336 ( -4.027 1.199 -0.000) 4.201 23.387 ( -0.013 2.534 -0.000) 2.535 23.480 ( 4.322 -5.314 0.000) 6.850 23.793 ( 0.997 0.267 -0.000) 1.032 24.072 ( -3.299 18.617 -0.000) 18.907 24.124 ( -7.962 -8.621 0.000) 11.735 24.192 ( 2.892 0.538 0.000) 2.942 24.624 ( -11.511 3.121 -0.000) 11.927 25.410 ( 7.999 0.743 0.000) 8.033 25.707 ( 13.290 2.378 0.000) 13.501 26.123 ( -15.457 -19.452 0.000) 24.846 26.845 ( 7.539 4.993 -0.000) 9.043 27.199 ( 11.787 -3.976 0.000) 12.440 27.358 ( 12.867 -0.850 0.000) 12.895 27.586 ( -6.421 -5.824 0.000) 8.669 28.099 ( -17.716 -0.302 -0.000) 17.719 28.144 ( -0.045 1.810 -0.000) 1.810 28.330 ( 5.282 -1.635 0.000) 5.529 28.489 ( -6.355 -1.723 0.000) 6.584 29.179 ( -27.767 -18.023 0.000) 33.103 30.105 ( -2.036 1.082 -0.000) 2.306 30.309 ( -11.592 -2.580 -0.000) 11.876 30.666 ( -4.891 3.665 -0.000) 6.112 30.888 ( 3.665 7.589 -0.000) 8.428 31.716 ( 6.380 2.308 -0.000) 6.784 31.779 ( -7.917 -3.583 0.000) 8.690 31.990 ( 0.072 2.871 -0.000) 2.872 32.177 ( -6.702 -2.728 0.000) 7.235 33.108 ( 7.793 -10.335 0.000) 12.943 33.116 ( 1.101 -0.479 0.000) 1.200 33.439 ( 6.045 -0.272 0.000) 6.051 33.697 ( 3.206 2.010 -0.000) 3.784 33.859 ( 7.904 -0.209 0.000) 7.907 33.892 ( -0.957 3.359 -0.000) 3.493 34.484 ( 6.749 8.629 -0.000) 10.955 34.563 ( 11.232 1.991 0.000) 11.407 34.953 ( -23.989 -18.017 0.000) 30.001 35.537 ( 2.130 0.747 -0.000) 2.257 36.209 ( 14.186 2.428 0.000) 14.392 36.716 ( 10.067 19.427 -0.000) 21.880 38.413 ( 1.674 0.153 0.000) 1.681 38.459 ( -4.665 1.745 -0.000) 4.980 38.814 ( 11.092 -7.018 0.000) 13.126 39.155 ( -5.488 -5.390 0.000) 7.693 40.094 ( 11.284 8.085 -0.000) 13.881 40.169 ( 2.041 0.474 -0.000) 2.096 41.610 ( 4.849 0.002 0.000) 4.849 ======================= Grid point 17 (17/50) ======================= q-point: ( 0.18 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 20.835 6.844 3.258) 22.171 1.509 ( 16.354 12.759 11.236) 23.590 1.571 ( 13.714 -4.940 6.364) 15.905 1.918 ( 20.456 7.456 8.115) 23.236 2.060 ( 3.562 -3.286 -2.108) 5.285 2.154 ( 6.649 -4.233 -3.519) 8.633 2.211 ( 1.017 0.418 0.948) 1.452 2.314 ( 0.846 2.970 3.666) 4.793 2.386 ( 0.532 6.711 0.154) 6.734 2.522 ( 4.361 2.450 -0.551) 5.033 2.628 ( 1.332 -1.817 2.174) 3.131 2.721 ( 2.823 -0.277 -0.076) 2.837 2.727 ( 3.714 -1.467 1.235) 4.179 2.855 ( 3.196 -0.895 0.221) 3.327 2.873 ( 0.267 -4.750 -2.601) 5.422 2.969 ( 0.354 3.596 -1.468) 3.900 3.106 ( -1.486 -0.653 -5.117) 5.368 3.226 ( -1.451 0.888 1.284) 2.131 4.123 ( -15.295 -3.239 -2.582) 15.846 4.297 ( 21.440 -1.556 0.074) 21.497 4.604 ( 5.896 6.150 -0.864) 8.564 5.312 ( 0.507 -4.217 -0.472) 4.274 5.457 ( 10.636 -0.353 0.405) 10.650 5.713 ( 2.650 -9.430 -4.185) 10.652 5.904 ( 2.381 -4.623 1.978) 5.564 5.975 ( 3.623 0.558 4.137) 5.527 6.197 ( -0.387 0.792 1.822) 2.024 6.308 ( 3.349 3.857 -4.850) 7.044 6.378 ( 1.014 5.878 -3.446) 6.889 6.560 ( 2.759 5.496 5.746) 8.416 6.850 ( -1.441 1.123 -3.156) 3.647 6.908 ( 1.510 1.598 1.029) 2.427 7.007 ( 0.584 2.820 1.330) 3.172 7.167 ( -1.988 -0.912 9.193) 9.449 7.305 ( -2.574 -11.085 -2.327) 11.615 7.386 ( -1.980 -4.758 -4.756) 7.012 7.461 ( -6.019 -0.769 -5.723) 8.341 7.836 ( 0.383 7.829 0.336) 7.846 11.450 ( -13.480 -0.912 -0.043) 13.511 11.805 ( -6.452 5.717 14.729) 17.066 12.674 ( 6.353 -0.766 -2.415) 6.840 13.488 ( 16.627 -6.701 -7.711) 19.514 13.763 ( 9.657 4.199 -6.188) 12.214 14.768 ( 27.656 6.240 -0.004) 28.352 15.040 ( -1.453 11.138 10.154) 15.142 15.709 ( 0.802 0.119 3.717) 3.805 15.998 ( -18.362 5.126 4.825) 19.665 16.434 ( 1.585 -13.537 -5.752) 14.793 17.292 ( 8.136 6.397 -5.333) 11.643 17.539 ( -2.359 -9.212 0.084) 9.510 17.586 ( 4.935 -8.231 -2.452) 9.905 18.086 ( 5.472 3.314 -6.695) 9.260 18.280 ( -14.307 1.738 -10.182) 17.646 18.810 ( 4.334 1.902 1.626) 5.004 19.088 ( 2.922 -3.891 11.036) 12.061 19.482 ( 8.956 5.063 -18.946) 21.559 19.863 ( -4.458 1.846 2.873) 5.616 20.128 ( 1.534 -1.369 -2.655) 3.358 20.404 ( -9.300 -2.850 0.654) 9.749 20.528 ( 7.630 -9.513 0.313) 12.199 20.686 ( -1.471 4.867 -4.581) 6.844 20.789 ( -2.731 1.714 3.147) 4.506 21.112 ( -1.017 -4.123 -2.300) 4.829 21.832 ( 8.633 13.798 1.343) 16.332 21.969 ( -12.410 0.421 32.737) 35.012 22.132 ( -10.251 -3.475 3.446) 11.359 22.648 ( -4.027 5.646 -0.233) 6.939 22.833 ( -6.752 4.723 3.955) 9.140 23.168 ( -2.782 -3.742 -6.251) 7.798 23.296 ( 3.390 -7.126 2.067) 8.158 23.341 ( -2.427 -4.676 0.756) 5.322 23.372 ( -3.926 3.331 -4.898) 7.106 23.429 ( 3.534 -2.813 3.058) 5.455 23.710 ( -2.257 2.232 -2.593) 4.099 23.979 ( 1.863 9.369 4.188) 10.430 24.254 ( 9.465 -5.748 -4.971) 12.138 24.496 ( 16.016 1.219 3.078) 16.354 24.887 ( 12.039 8.543 0.596) 14.774 25.350 ( -6.981 -4.746 4.310) 9.478 25.492 ( -11.809 3.538 4.692) 13.191 25.914 ( -11.404 -9.956 -10.965) 18.693 26.608 ( -7.495 7.303 -6.925) 12.549 26.973 ( -9.950 3.210 1.585) 10.574 27.195 ( -24.120 -2.923 7.777) 25.511 27.495 ( -12.264 -5.649 -0.790) 13.526 28.118 ( 2.138 0.608 -2.417) 3.283 28.231 ( -0.241 -3.158 -3.547) 4.755 28.348 ( 4.560 -3.461 0.878) 5.791 28.929 ( 34.316 0.168 1.309) 34.341 29.527 ( 14.725 -12.496 -2.985) 19.542 30.144 ( 0.743 2.132 0.653) 2.351 30.371 ( 4.842 10.678 -8.882) 14.709 30.815 ( 8.174 -4.023 5.850) 10.827 31.017 ( 11.032 1.953 4.676) 12.141 31.537 ( -6.581 3.011 -0.533) 7.257 31.982 ( 5.167 -2.146 2.458) 6.111 32.062 ( 5.790 -0.909 -0.622) 5.894 32.336 ( 4.568 1.890 1.385) 5.134 32.648 ( -19.931 -7.951 -6.065) 22.299 33.153 ( -15.081 -1.270 5.562) 16.124 33.363 ( 1.057 -1.466 -4.638) 4.978 33.667 ( -4.686 0.210 6.811) 8.270 33.733 ( -2.482 0.657 -1.166) 2.820 33.856 ( -4.376 5.636 -0.644) 7.164 34.271 ( -16.694 2.138 -0.634) 16.843 34.339 ( -7.345 1.261 3.499) 8.233 34.950 ( -2.102 -4.151 -18.137) 18.724 35.504 ( 7.715 6.852 0.168) 10.320 36.025 ( 7.070 -3.148 -3.668) 8.565 37.153 ( -5.062 5.981 32.209) 33.149 38.095 ( -7.930 -3.364 -18.750) 20.634 38.569 ( 0.558 -1.545 0.863) 1.855 38.632 ( -2.688 -0.735 0.305) 2.804 39.235 ( 3.561 -6.039 -0.140) 7.012 39.879 ( -8.907 10.053 -1.096) 13.476 40.152 ( -2.219 -2.585 1.377) 3.675 41.487 ( -7.294 -0.076 0.064) 7.294 ======================= Grid point 18 (18/50) ======================= q-point: ( 0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -11.894 -0.008 -0.000) 11.894 1.806 ( -12.368 4.106 -0.000) 13.032 1.916 ( -9.763 11.664 -0.000) 15.211 2.111 ( -2.723 -0.065 -0.000) 2.723 2.120 ( 1.234 -2.370 0.000) 2.672 2.227 ( -3.770 -2.583 0.000) 4.570 2.286 ( -10.081 -0.688 -0.000) 10.105 2.382 ( -2.678 2.152 -0.000) 3.436 2.539 ( -1.980 2.805 -0.000) 3.433 2.600 ( 1.022 3.428 -0.000) 3.577 2.638 ( -0.649 5.674 -0.000) 5.711 2.679 ( 3.565 -7.905 0.000) 8.672 2.752 ( -3.127 0.056 -0.000) 3.127 2.888 ( -9.363 -1.009 -0.000) 9.417 2.931 ( -3.496 0.039 -0.000) 3.496 3.078 ( -1.027 0.796 -0.000) 1.300 3.139 ( -0.845 -0.512 0.000) 0.988 3.182 ( 1.190 0.234 0.000) 1.213 3.774 ( 10.239 -4.820 0.000) 11.317 4.646 ( -14.409 -0.655 -0.000) 14.424 4.752 ( -3.988 0.160 -0.000) 3.991 5.350 ( -2.951 0.546 -0.000) 3.001 5.618 ( -7.491 -0.062 -0.000) 7.491 5.644 ( -3.869 -3.894 0.000) 5.489 5.994 ( -5.136 2.564 -0.000) 5.741 6.068 ( -5.748 2.529 -0.000) 6.280 6.191 ( -0.296 1.623 -0.000) 1.650 6.344 ( 3.077 -1.816 0.000) 3.573 6.577 ( 2.823 5.158 -0.000) 5.880 6.615 ( -0.517 2.218 -0.000) 2.277 6.790 ( -1.285 -7.314 0.000) 7.426 6.837 ( 10.048 0.808 0.000) 10.081 6.939 ( 0.834 -0.133 0.000) 0.844 7.115 ( 1.822 -3.833 0.000) 4.244 7.292 ( -9.966 3.797 -0.000) 10.664 7.368 ( -8.040 -3.909 0.000) 8.939 7.379 ( 5.484 -0.321 0.000) 5.493 7.900 ( 3.190 0.618 0.000) 3.249 11.154 ( 14.450 -0.087 0.000) 14.451 11.719 ( 5.370 7.530 -0.000) 9.248 12.811 ( -6.326 -1.390 -0.000) 6.477 13.752 ( -23.031 -8.281 0.000) 24.475 14.164 ( -7.021 3.020 -0.000) 7.643 15.038 ( -0.685 3.398 -0.000) 3.466 15.372 ( -2.228 1.550 -0.000) 2.715 15.592 ( 2.070 6.973 -0.000) 7.273 15.871 ( -4.835 -0.334 -0.000) 4.847 16.325 ( -0.049 -2.756 0.000) 2.756 17.304 ( 6.319 0.782 0.000) 6.367 17.493 ( -4.720 -2.318 0.000) 5.258 17.605 ( 24.207 -5.827 0.000) 24.899 17.705 ( -8.511 2.179 -0.000) 8.785 18.091 ( 2.882 -12.652 0.000) 12.976 19.092 ( -9.982 3.164 -0.000) 10.471 19.281 ( -12.237 10.568 -0.000) 16.169 19.710 ( 9.871 -5.467 0.000) 11.284 19.761 ( 2.778 0.737 -0.000) 2.874 20.297 ( -4.377 -6.839 0.000) 8.120 20.313 ( -0.399 -7.471 0.000) 7.481 20.434 ( -1.884 6.780 -0.000) 7.037 20.631 ( 10.323 6.110 -0.000) 11.995 20.804 ( -1.173 -0.856 0.000) 1.452 20.919 ( 2.881 -7.644 0.000) 8.169 21.613 ( 8.610 9.339 -0.000) 12.702 22.012 ( -10.222 7.964 -0.000) 12.958 22.330 ( -2.973 12.633 -0.000) 12.978 22.615 ( 7.477 -6.336 0.000) 9.801 22.860 ( -1.244 3.844 -0.000) 4.040 22.886 ( 8.117 -8.257 0.000) 11.579 23.227 ( 3.794 3.747 -0.000) 5.332 23.237 ( -2.234 -2.497 0.000) 3.351 23.439 ( 3.422 1.472 -0.000) 3.725 23.517 ( -2.798 1.052 -0.000) 2.989 23.905 ( 5.621 5.999 -0.000) 8.221 23.964 ( -6.978 1.490 -0.000) 7.135 24.380 ( -15.349 -6.520 0.000) 16.677 24.883 ( -10.492 7.226 -0.000) 12.740 25.076 ( 6.403 4.588 -0.000) 7.877 25.216 ( 11.722 0.170 0.000) 11.724 25.306 ( -14.708 -4.496 0.000) 15.380 25.592 ( 12.173 -5.601 0.000) 13.400 26.355 ( 17.788 -9.570 0.000) 20.199 26.845 ( 3.613 3.869 -0.000) 5.293 26.866 ( 14.976 7.894 -0.000) 16.929 27.090 ( 17.563 -5.194 0.000) 18.315 28.204 ( 1.069 -1.687 0.000) 1.997 28.243 ( -4.993 -8.111 0.000) 9.524 28.292 ( -2.791 5.468 -0.000) 6.139 29.600 ( -6.577 -1.069 -0.000) 6.663 29.664 ( -35.739 1.039 -0.000) 35.754 30.127 ( -3.780 -0.927 0.000) 3.892 30.575 ( -11.256 -12.554 0.000) 16.861 31.029 ( -5.080 11.889 -0.000) 12.929 31.329 ( -11.315 5.397 -0.000) 12.536 31.582 ( 3.090 8.649 -0.000) 9.184 31.930 ( 2.086 0.345 0.000) 2.115 32.043 ( 20.690 -5.489 0.000) 21.406 32.275 ( -13.006 -3.286 0.000) 13.415 32.559 ( -6.638 -2.135 0.000) 6.973 32.641 ( 25.250 0.426 0.000) 25.254 33.354 ( 2.778 -2.595 0.000) 3.802 33.369 ( 4.510 -1.031 0.000) 4.626 33.688 ( 6.447 -1.074 0.000) 6.536 33.818 ( 6.792 0.564 0.000) 6.816 34.029 ( 9.029 -5.491 0.000) 10.568 34.122 ( 9.662 6.612 -0.000) 11.708 35.427 ( 2.600 -0.182 0.000) 2.606 35.664 ( -0.151 5.681 -0.000) 5.683 35.994 ( -17.113 -14.582 0.000) 22.483 36.837 ( 3.477 15.655 -0.000) 16.037 38.076 ( 12.938 -5.906 0.000) 14.222 38.334 ( 1.772 0.161 0.000) 1.780 38.824 ( -8.934 -0.144 -0.000) 8.935 39.216 ( -1.685 0.767 -0.000) 1.851 39.810 ( 8.033 -1.214 0.000) 8.124 40.079 ( 2.502 0.673 -0.000) 2.591 41.349 ( 6.443 0.163 0.000) 6.445 ======================= Grid point 19 (19/50) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 12.374 -3.133) 12.765 1.120 ( 0.000 2.347 -2.305) 3.290 1.373 ( 0.000 18.783 12.131) 22.360 1.722 ( -0.000 -11.154 -13.194) 17.277 1.848 ( 0.000 14.523 6.707) 15.997 1.963 ( -0.000 -2.377 -3.400) 4.148 2.232 ( 0.000 1.016 7.009) 7.082 2.345 ( -0.000 -1.527 1.117) 1.892 2.372 ( -0.000 -3.539 1.547) 3.863 2.517 ( 0.000 1.323 -0.098) 1.326 2.572 ( 0.000 10.627 1.973) 10.809 2.627 ( -0.000 -6.566 -1.870) 6.827 2.633 ( -0.000 -1.569 3.145) 3.515 2.729 ( 0.000 1.407 -2.129) 2.552 2.770 ( -0.000 -4.785 -4.349) 6.466 3.018 ( 0.000 0.351 -0.104) 0.366 3.114 ( -0.000 -2.927 -4.102) 5.039 3.274 ( -0.000 -0.147 1.642) 1.649 3.678 ( 0.000 0.085 0.061) 0.105 4.543 ( -0.000 -2.829 -1.318) 3.121 4.703 ( -0.000 -2.580 1.724) 3.103 5.035 ( -0.000 -0.003 -0.064) 0.064 5.117 ( 0.000 0.044 0.082) 0.093 5.353 ( -0.000 -0.008 -0.931) 0.931 5.811 ( 0.000 0.572 0.997) 1.150 5.970 ( 0.000 2.814 1.452) 3.167 6.235 ( -0.000 -0.518 -4.686) 4.714 6.351 ( -0.000 -0.083 1.964) 1.966 6.450 ( -0.000 -0.909 -1.311) 1.596 6.608 ( 0.000 2.481 0.040) 2.481 6.705 ( -0.000 -3.229 0.736) 3.312 6.905 ( 0.000 0.904 -2.605) 2.757 7.062 ( 0.000 0.395 1.799) 1.842 7.207 ( 0.000 8.050 5.987) 10.032 7.371 ( 0.000 2.463 8.796) 9.134 7.398 ( -0.000 -7.945 -7.229) 10.742 7.576 ( -0.000 -4.617 -5.638) 7.287 7.866 ( 0.000 0.504 0.070) 0.509 11.740 ( 0.000 0.036 -0.023) 0.043 12.235 ( 0.000 10.228 6.729) 12.243 12.414 ( -0.000 -2.159 -2.333) 3.178 13.019 ( -0.000 -6.664 4.224) 7.890 13.650 ( 0.000 2.046 -13.154) 13.312 14.087 ( 0.000 0.580 -2.421) 2.489 15.280 ( 0.000 3.214 0.913) 3.341 15.332 ( 0.000 3.521 18.701) 19.030 15.905 ( -0.000 -2.435 -17.007) 17.181 16.774 ( -0.000 -3.970 -0.675) 4.027 17.237 ( 0.000 5.908 1.931) 6.216 17.237 ( -0.000 -0.700 1.335) 1.507 17.473 ( -0.000 -0.653 -1.117) 1.294 17.986 ( 0.000 2.528 -3.124) 4.019 18.585 ( -0.000 -10.979 12.954) 16.981 18.707 ( -0.000 -2.150 -0.835) 2.306 19.044 ( -0.000 -0.670 -9.675) 9.698 19.424 ( 0.000 2.881 -15.713) 15.975 19.884 ( -0.000 -3.164 2.752) 4.193 20.040 ( -0.000 -0.303 -2.902) 2.918 20.293 ( 0.000 5.863 0.582) 5.891 20.432 ( -0.000 -3.170 11.744) 12.165 20.776 ( 0.000 0.783 -15.917) 15.936 20.992 ( 0.000 1.784 1.360) 2.243 21.115 ( 0.000 0.644 -0.558) 0.852 21.874 ( -0.000 -8.616 5.373) 10.154 22.291 ( 0.000 11.798 1.079) 11.847 22.488 ( 0.000 1.248 -2.249) 2.572 22.952 ( 0.000 3.793 1.031) 3.930 22.972 ( 0.000 1.364 0.850) 1.606 22.983 ( -0.000 -2.373 -0.619) 2.452 23.297 ( 0.000 1.025 -1.720) 2.002 23.367 ( 0.000 0.231 -0.495) 0.546 23.433 ( -0.000 -1.986 1.226) 2.334 23.534 ( 0.000 3.398 5.472) 6.441 23.715 ( -0.000 -3.384 -3.412) 4.805 23.912 ( -0.000 -2.574 1.988) 3.252 23.941 ( -0.000 -2.998 11.551) 11.933 24.409 ( 0.000 0.712 -5.830) 5.874 24.618 ( -0.000 -0.056 -0.136) 0.147 25.585 ( -0.000 -0.739 3.582) 3.658 25.808 ( 0.000 8.712 -4.567) 9.836 25.845 ( -0.000 -0.360 -0.024) 0.361 26.999 ( 0.000 4.500 1.429) 4.722 27.172 ( -0.000 -10.891 1.880) 11.052 27.466 ( 0.000 2.673 -0.458) 2.712 27.632 ( -0.000 -0.104 1.818) 1.821 27.860 ( -0.000 -0.114 0.007) 0.115 28.216 ( -0.000 -1.291 6.634) 6.758 28.405 ( 0.000 0.603 -5.731) 5.762 28.567 ( 0.000 2.610 3.728) 4.551 28.703 ( 0.000 0.389 -0.003) 0.389 30.109 ( -0.000 -2.218 0.254) 2.232 30.122 ( 0.000 1.979 -0.247) 1.994 30.717 ( 0.000 2.708 1.943) 3.334 30.913 ( 0.000 2.442 -7.459) 7.849 31.634 ( -0.000 -1.670 0.248) 1.688 31.777 ( 0.000 1.479 -2.164) 2.621 32.033 ( -0.000 -0.111 0.003) 0.111 32.258 ( -0.000 -0.168 9.102) 9.104 33.099 ( -0.000 -0.236 -0.418) 0.480 33.131 ( -0.000 -0.261 0.433) 0.506 33.488 ( -0.000 -1.964 -1.688) 2.589 33.861 ( -0.000 -0.139 4.532) 4.535 33.941 ( 0.000 0.032 -0.248) 0.250 34.040 ( 0.000 3.113 0.274) 3.125 34.270 ( -0.000 -2.600 -0.047) 2.600 34.625 ( 0.000 4.532 -7.008) 8.346 34.710 ( 0.000 0.338 0.726) 0.801 35.338 ( -0.000 -0.435 -10.383) 10.392 36.224 ( -0.000 -5.648 1.774) 5.919 37.436 ( 0.000 1.795 19.349) 19.433 38.268 ( -0.000 -0.776 -11.533) 11.559 38.434 ( 0.000 0.036 0.000) 0.036 38.811 ( -0.000 -1.648 -0.087) 1.651 39.063 ( 0.000 0.100 -0.000) 0.100 40.149 ( -0.000 -4.448 3.646) 5.752 40.264 ( 0.000 3.741 -4.901) 6.165 41.663 ( 0.000 0.152 -0.010) 0.153 ======================= Grid point 20 (20/50) ======================= q-point: (-0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 12.946 1.046 -0.517) 12.998 1.783 ( 13.337 -3.945 1.172) 13.958 1.958 ( 6.152 -5.939 -2.862) 9.017 2.062 ( 3.912 1.640 3.047) 5.223 2.159 ( 2.820 0.384 -2.281) 3.647 2.220 ( 0.210 0.996 0.898) 1.357 2.271 ( 9.329 1.017 0.580) 9.402 2.427 ( 3.853 -1.682 -2.099) 4.699 2.542 ( 0.103 -5.465 -1.392) 5.640 2.602 ( -1.293 -0.330 -0.312) 1.370 2.617 ( -1.616 6.116 3.477) 7.218 2.668 ( -0.469 -2.211 -0.828) 2.407 2.772 ( 2.696 0.632 -0.564) 2.826 2.883 ( 9.371 0.609 0.288) 9.395 2.955 ( 3.946 -0.444 -1.854) 4.382 3.043 ( 1.556 -0.896 2.102) 2.765 3.092 ( 1.163 0.618 2.189) 2.555 3.213 ( -1.175 -0.072 -1.062) 1.585 3.792 ( -10.264 2.462 -0.967) 10.600 4.643 ( 14.816 0.232 0.152) 14.818 4.744 ( 3.183 -0.019 0.463) 3.217 5.347 ( 2.940 -0.291 0.157) 2.958 5.627 ( 6.502 1.170 -0.354) 6.615 5.632 ( 4.619 0.811 0.545) 4.722 5.971 ( 4.488 -1.346 1.058) 4.804 6.091 ( 5.810 -1.234 -1.280) 6.076 6.191 ( -1.227 -0.583 0.355) 1.404 6.299 ( -3.472 0.488 2.073) 4.073 6.566 ( 7.003 -0.164 1.287) 7.122 6.683 ( -5.678 -5.093 -6.062) 9.742 6.819 ( 0.564 6.630 -2.214) 7.013 6.891 ( -0.085 -2.171 3.710) 4.300 6.958 ( -7.843 -0.766 -6.486) 10.206 7.051 ( -4.638 3.380 4.407) 7.236 7.263 ( -1.717 -0.067 3.283) 3.705 7.316 ( 8.393 -0.823 0.561) 8.452 7.403 ( 5.692 1.066 -0.182) 5.794 7.899 ( -3.160 -0.316 0.024) 3.176 11.153 ( -14.455 0.045 0.025) 14.455 11.794 ( -5.844 -3.784 -4.149) 8.105 12.802 ( 6.532 0.723 0.531) 6.593 13.738 ( 21.365 3.374 1.396) 21.675 14.008 ( 8.862 -0.720 6.838) 11.217 15.203 ( -0.474 -1.530 -8.612) 8.759 15.400 ( 2.203 -1.140 -2.227) 3.334 15.501 ( 2.428 -2.442 6.062) 6.972 15.933 ( 0.879 -0.892 -3.097) 3.341 16.316 ( 0.966 1.503 0.589) 1.881 17.309 ( -6.765 -1.010 -0.886) 6.897 17.426 ( -12.492 2.542 6.609) 14.360 17.501 ( 5.426 0.933 -0.407) 5.520 17.905 ( -3.356 -0.792 -7.998) 8.710 18.122 ( -0.237 8.487 -1.200) 8.575 18.972 ( 6.554 -1.972 6.642) 9.537 19.333 ( 11.067 -6.887 -1.882) 13.171 19.560 ( -1.423 2.959 7.003) 7.735 19.820 ( -2.158 -2.400 -4.184) 5.284 20.036 ( -5.592 4.103 8.974) 11.342 20.254 ( -1.880 -1.692 3.780) 4.549 20.555 ( 4.254 1.670 -4.756) 6.596 20.728 ( -3.574 -0.295 0.944) 3.709 20.811 ( 0.209 0.806 -2.777) 2.899 20.996 ( 0.088 2.024 -3.703) 4.221 21.711 ( -10.631 -2.549 -4.960) 12.004 22.077 ( 7.577 -3.388 -3.025) 8.834 22.331 ( 5.066 -8.384 -1.858) 9.971 22.613 ( -5.584 4.525 0.462) 7.202 22.827 ( -7.900 -1.275 0.692) 8.032 22.977 ( -1.510 0.687 -5.983) 6.209 23.192 ( -0.116 5.907 4.396) 7.364 23.222 ( -3.965 -2.223 0.954) 4.644 23.345 ( -2.653 -1.569 5.171) 6.020 23.396 ( -5.260 -3.180 7.048) 9.352 23.804 ( 6.662 -1.468 0.284) 6.828 24.134 ( 5.355 -1.040 -4.595) 7.133 24.387 ( 13.471 3.094 -0.471) 13.830 24.873 ( 8.680 -3.414 0.322) 9.333 25.126 ( -3.288 -3.228 -3.350) 5.697 25.294 ( 5.982 -1.533 -2.009) 6.493 25.320 ( -3.546 3.484 -2.650) 5.633 25.503 ( -12.472 3.511 5.260) 13.983 26.348 ( -16.985 5.077 0.648) 17.740 26.737 ( -19.354 -3.376 3.155) 19.898 26.960 ( -6.051 -1.753 -2.676) 6.845 27.131 ( -13.124 1.630 -2.049) 13.383 28.145 ( 0.543 0.996 2.181) 2.459 28.254 ( 6.862 2.589 0.333) 7.342 28.319 ( -0.942 -1.383 -1.398) 2.181 29.584 ( 6.107 0.364 0.721) 6.160 29.669 ( 36.756 -0.326 -0.211) 36.758 30.179 ( 2.664 0.325 -2.936) 3.978 30.597 ( 10.945 7.872 -1.366) 13.551 30.981 ( 8.815 -7.278 3.061) 11.834 31.285 ( 10.014 -2.577 2.410) 10.618 31.536 ( -2.300 -4.753 1.711) 5.551 31.951 ( -14.811 0.472 2.074) 14.963 31.958 ( -9.177 2.537 0.914) 9.565 32.306 ( 10.217 1.336 -1.273) 10.382 32.571 ( 6.943 0.900 -0.694) 7.036 32.697 ( -27.501 -0.330 -2.026) 27.577 33.344 ( -0.568 1.775 -1.244) 2.241 33.595 ( -0.598 1.290 -11.466) 11.554 33.679 ( -4.074 0.054 -1.293) 4.274 33.805 ( -7.497 -0.304 0.635) 7.530 33.991 ( -13.723 1.303 1.571) 13.874 34.189 ( -7.174 -2.274 -3.563) 8.327 34.865 ( -2.320 -0.316 25.602) 25.708 35.784 ( -7.445 -1.418 -1.484) 7.723 36.110 ( 27.223 5.062 -3.849) 27.955 37.195 ( -8.715 -10.134 -26.251) 29.458 37.777 ( -9.939 6.116 21.926) 24.839 38.406 ( -4.069 0.235 -2.487) 4.775 38.824 ( 8.936 0.072 -0.003) 8.937 39.216 ( 1.711 -0.378 -0.008) 1.752 39.817 ( -8.591 0.633 -0.375) 8.623 40.075 ( -2.043 -0.363 0.233) 2.088 41.349 ( -6.370 -0.086 0.017) 6.371 ======================= Grid point 21 (21/50) ======================= q-point: (-0.35 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -14.745 0.839 -7.845) 16.723 1.699 ( -10.816 9.632 -4.029) 15.033 1.782 ( -9.976 -8.540 -11.595) 17.518 2.000 ( -3.671 2.594 0.484) 4.521 2.056 ( -7.833 2.028 2.018) 8.339 2.088 ( -9.344 2.470 -1.320) 9.755 2.229 ( 1.182 -1.497 0.827) 2.079 2.332 ( -5.894 -4.501 -0.171) 7.418 2.459 ( -1.087 -5.107 -1.075) 5.331 2.512 ( -6.767 -2.365 -1.744) 7.378 2.653 ( -3.101 2.284 0.632) 3.903 2.692 ( -3.221 -0.291 1.391) 3.521 2.746 ( -1.745 1.220 0.807) 2.277 2.786 ( -0.114 5.590 1.007) 5.682 2.861 ( -4.234 1.027 0.587) 4.397 3.008 ( -0.267 -5.129 -1.164) 5.267 3.039 ( -0.500 0.668 -2.332) 2.476 3.230 ( 1.360 -0.689 0.979) 1.811 4.021 ( 15.383 -0.259 5.557) 16.358 4.303 ( -21.271 1.973 -0.283) 21.364 4.584 ( -6.937 -6.667 0.807) 9.655 5.306 ( -0.978 3.537 -0.027) 3.670 5.450 ( -10.892 0.066 0.880) 10.928 5.651 ( -1.929 8.575 1.418) 8.903 5.928 ( -3.748 2.820 -0.198) 4.695 6.058 ( -2.033 2.462 -2.775) 4.230 6.218 ( -1.245 -2.697 -0.978) 3.127 6.265 ( -6.127 -7.087 0.287) 9.373 6.333 ( 2.354 -2.091 0.427) 3.177 6.650 ( -7.678 -1.874 -2.126) 8.184 6.815 ( 3.284 -0.270 -0.205) 3.301 6.952 ( 1.428 -0.279 -1.478) 2.074 7.047 ( -0.716 -8.163 -2.380) 8.533 7.154 ( 6.669 4.566 5.930) 10.024 7.240 ( 5.625 1.770 8.436) 10.293 7.339 ( -0.895 7.373 -2.176) 7.739 7.427 ( 1.773 2.386 -3.681) 4.731 7.847 ( -0.519 -7.199 -0.480) 7.234 11.449 ( 13.537 0.928 0.009) 13.568 12.047 ( 11.507 3.211 -4.380) 12.724 12.625 ( -7.534 -0.832 1.397) 7.707 13.288 ( -19.312 -1.832 8.958) 21.367 13.846 ( -7.970 -0.735 -13.719) 15.883 14.788 ( -27.515 -4.649 -1.826) 27.964 15.111 ( 2.281 -10.021 3.874) 10.983 15.789 ( 1.443 3.843 -1.689) 4.439 16.103 ( 3.676 -2.588 -4.052) 6.052 16.315 ( 7.176 9.278 4.344) 12.508 17.194 ( -13.769 -7.144 2.482) 15.710 17.529 ( 4.148 6.915 1.239) 8.158 17.550 ( -6.150 5.611 0.118) 8.326 17.926 ( -2.498 -9.384 3.492) 10.319 18.126 ( 19.715 -1.973 6.264) 20.780 18.840 ( -7.701 -0.642 -2.968) 8.279 19.217 ( -16.598 3.998 -0.609) 17.084 19.501 ( 1.469 -0.531 -14.422) 14.507 19.937 ( 2.740 -0.963 -2.423) 3.782 20.063 ( -2.537 -0.445 2.870) 3.856 20.316 ( 4.336 1.608 9.623) 10.676 20.530 ( 5.222 -0.255 -0.167) 5.231 20.677 ( -3.107 0.887 -5.322) 6.227 20.817 ( 4.742 -0.219 -0.062) 4.748 21.031 ( 2.118 -1.185 4.854) 5.427 21.875 ( -10.757 -2.601 -0.713) 11.090 22.147 ( 14.966 8.670 -0.275) 17.298 22.426 ( 7.343 1.476 -9.786) 12.323 22.640 ( 5.231 -0.861 1.048) 5.404 22.966 ( 1.560 -2.737 -4.688) 5.648 23.032 ( 9.133 0.016 3.448) 9.762 23.209 ( 8.589 0.669 5.575) 10.262 23.373 ( -0.847 4.958 -2.171) 5.479 23.419 ( -2.804 6.406 -3.946) 8.029 23.575 ( -0.750 3.175 -6.289) 7.085 23.676 ( -4.164 -1.716 -1.389) 4.713 24.039 ( -5.322 -8.076 -0.159) 9.673 24.140 ( -4.690 5.085 2.941) 7.517 24.595 ( -16.033 -1.451 -5.204) 16.919 24.851 ( -14.082 -9.129 3.766) 17.200 25.406 ( 8.964 6.189 -0.521) 10.905 25.555 ( 11.327 2.455 1.537) 11.691 25.758 ( 12.479 1.882 0.828) 12.647 26.481 ( 12.809 -11.444 4.013) 17.639 26.956 ( 4.934 -4.075 2.424) 6.843 27.258 ( 16.281 3.186 0.573) 16.599 27.528 ( 19.852 8.740 -2.132) 21.796 28.083 ( -1.841 -1.108 0.527) 2.212 28.167 ( 0.276 0.638 0.898) 1.135 28.337 ( -3.457 0.776 1.979) 4.059 28.961 ( -34.933 1.007 -1.262) 34.971 29.441 ( -17.687 5.738 3.996) 19.019 30.135 ( 0.713 -2.976 2.058) 3.688 30.193 ( -3.546 -9.445 4.645) 11.107 31.007 ( -7.840 7.642 -9.214) 14.309 31.160 ( -11.620 3.974 -7.365) 14.320 31.596 ( 4.186 -3.033 -5.218) 7.345 31.967 ( -15.121 0.738 2.744) 15.386 32.050 ( 4.788 1.349 1.429) 5.176 32.345 ( -5.799 -3.737 0.760) 6.941 32.539 ( 21.880 6.401 3.469) 23.059 33.136 ( 11.036 -0.043 8.931) 14.197 33.288 ( 2.517 -1.513 -1.735) 3.411 33.641 ( 7.427 -0.360 6.012) 9.562 33.756 ( 2.583 -0.872 -1.415) 3.071 33.828 ( 2.877 -5.234 0.608) 6.004 34.265 ( 19.094 -1.869 0.553) 19.193 34.456 ( 9.323 2.310 -1.286) 9.691 34.956 ( 1.687 4.165 -20.530) 21.016 35.505 ( -8.734 -7.371 0.000) 11.428 35.896 ( -7.988 0.378 8.041) 11.341 37.430 ( -0.230 2.162 17.474) 17.608 37.967 ( 13.171 0.675 -18.395) 22.634 38.548 ( 3.824 2.613 3.607) 5.870 38.614 ( -2.792 -2.416 1.181) 3.877 39.227 ( -4.708 4.668 0.512) 6.650 39.847 ( 7.699 -8.184 1.305) 11.312 40.195 ( 4.507 2.424 -1.872) 5.449 41.491 ( 7.371 0.233 -0.258) 7.380 ======================= Grid point 23 (22/50) ======================= q-point: (-0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 10.879 -6.078 0.000) 12.462 1.950 ( 6.817 1.713 -0.000) 7.029 1.964 ( 6.935 -0.432 0.000) 6.948 2.099 ( -5.208 2.126 -0.000) 5.625 2.197 ( 1.871 2.361 -0.000) 3.013 2.209 ( 1.987 -2.369 0.000) 3.092 2.395 ( 1.530 -5.126 0.000) 5.349 2.454 ( -2.081 -1.363 0.000) 2.487 2.521 ( 4.030 -0.847 0.000) 4.118 2.532 ( -4.109 -0.423 -0.000) 4.130 2.541 ( 5.262 1.345 -0.000) 5.431 2.799 ( 1.596 -0.278 0.000) 1.620 2.804 ( -0.383 6.294 -0.000) 6.305 2.976 ( 1.349 0.181 0.000) 1.361 3.041 ( 4.742 -2.851 0.000) 5.533 3.062 ( -0.383 -1.080 0.000) 1.146 3.102 ( 0.300 -1.973 0.000) 1.996 3.163 ( -0.342 0.151 -0.000) 0.374 3.689 ( -6.716 1.598 -0.000) 6.904 4.807 ( 2.159 1.377 -0.000) 2.560 4.865 ( 5.246 0.206 0.000) 5.250 5.291 ( -0.752 -6.501 0.000) 6.544 5.726 ( 2.685 0.608 -0.000) 2.753 5.779 ( -2.798 4.509 -0.000) 5.307 6.039 ( 4.738 -1.362 0.000) 4.930 6.179 ( 7.257 -0.438 0.000) 7.271 6.217 ( 1.997 0.604 -0.000) 2.086 6.295 ( -3.814 -0.060 -0.000) 3.814 6.381 ( 1.569 -2.477 0.000) 2.932 6.606 ( 1.760 -0.553 0.000) 1.845 6.662 ( -6.293 0.049 -0.000) 6.293 6.910 ( -1.321 1.696 -0.000) 2.150 6.935 ( -0.256 0.122 -0.000) 0.283 7.141 ( -4.797 4.833 -0.000) 6.810 7.298 ( -2.553 0.074 -0.000) 2.554 7.452 ( -0.202 -4.210 0.000) 4.214 7.567 ( 9.989 2.924 -0.000) 10.408 7.785 ( -1.309 -1.844 0.000) 2.261 10.952 ( -6.761 1.403 -0.000) 6.905 11.580 ( 3.116 -3.388 0.000) 4.603 12.861 ( 1.195 -3.024 0.000) 3.252 14.213 ( 6.986 -0.782 0.000) 7.030 14.371 ( 10.103 7.453 -0.000) 12.555 14.882 ( 1.474 -11.288 0.000) 11.383 14.888 ( -14.681 -2.115 -0.000) 14.832 15.759 ( 16.136 -14.063 0.000) 21.404 15.860 ( 1.981 -5.460 0.000) 5.808 16.383 ( -2.768 5.947 -0.000) 6.560 17.185 ( -13.445 3.285 -0.000) 13.841 17.440 ( -6.749 10.443 -0.000) 12.434 17.632 ( 3.450 -10.723 0.000) 11.265 17.769 ( 0.334 17.723 -0.000) 17.726 18.337 ( -6.088 12.879 -0.000) 14.246 19.158 ( 9.178 -6.336 0.000) 11.152 19.389 ( 15.610 -2.187 0.000) 15.762 19.659 ( -11.198 6.035 -0.000) 12.721 19.734 ( -2.274 3.208 -0.000) 3.932 20.191 ( -1.556 -9.794 0.000) 9.917 20.326 ( -0.042 -9.664 0.000) 9.664 20.382 ( -6.298 2.610 -0.000) 6.818 20.622 ( -3.081 -2.127 0.000) 3.743 20.684 ( 1.744 2.820 -0.000) 3.315 21.011 ( -4.870 6.547 -0.000) 8.160 21.500 ( 8.444 -2.033 0.000) 8.685 22.020 ( 6.294 -5.074 0.000) 8.085 22.290 ( 12.954 -4.436 0.000) 13.692 22.501 ( 0.257 -4.389 0.000) 4.396 22.785 ( -0.339 -4.314 0.000) 4.327 22.799 ( -16.491 1.067 -0.000) 16.525 23.315 ( -0.938 3.445 -0.000) 3.570 23.380 ( 1.871 11.296 -0.000) 11.450 23.399 ( -0.770 7.260 -0.000) 7.301 23.534 ( -0.342 -2.188 0.000) 2.214 23.817 ( 7.642 -2.169 0.000) 7.944 23.982 ( 3.729 -5.959 0.000) 7.029 24.709 ( 4.112 2.367 -0.000) 4.744 24.852 ( 2.506 -1.800 0.000) 3.085 25.044 ( 5.308 3.861 -0.000) 6.563 25.102 ( 3.103 -3.247 0.000) 4.491 25.414 ( -3.812 -3.614 0.000) 5.253 25.460 ( -11.532 2.501 -0.000) 11.800 26.161 ( -15.684 -4.339 0.000) 16.273 26.560 ( 1.970 1.456 -0.000) 2.449 26.753 ( 0.293 -1.172 0.000) 1.208 26.921 ( -10.693 2.845 -0.000) 11.065 28.196 ( -0.033 -4.346 0.000) 4.347 28.203 ( -1.554 0.670 -0.000) 1.692 28.509 ( 0.700 7.962 -0.000) 7.992 29.786 ( 0.606 10.413 -0.000) 10.431 30.011 ( -0.673 2.422 -0.000) 2.514 30.466 ( 27.538 -3.087 0.000) 27.710 30.556 ( -2.065 -18.426 0.000) 18.541 31.239 ( 16.108 7.474 -0.000) 17.758 31.353 ( -3.936 -1.833 0.000) 4.342 31.500 ( 12.809 -2.945 0.000) 13.143 31.849 ( -11.180 1.193 -0.000) 11.244 31.935 ( -13.546 13.319 -0.000) 18.997 32.119 ( -12.252 -1.165 -0.000) 12.308 32.568 ( 4.272 1.547 -0.000) 4.544 32.600 ( 1.067 -5.062 0.000) 5.173 33.299 ( -4.119 -0.836 -0.000) 4.202 33.331 ( -1.918 0.088 -0.000) 1.920 33.561 ( -7.141 0.612 -0.000) 7.167 33.649 ( -3.685 -2.750 0.000) 4.598 33.954 ( 4.016 -2.295 0.000) 4.626 34.003 ( -5.809 2.191 -0.000) 6.208 35.396 ( -1.150 0.134 -0.000) 1.158 35.443 ( -1.133 -11.505 0.000) 11.561 36.324 ( -1.756 -1.297 0.000) 2.183 36.861 ( 14.826 10.409 -0.000) 18.115 37.992 ( -11.177 5.821 -0.000) 12.602 38.312 ( -0.517 0.115 -0.000) 0.530 38.907 ( 4.862 -4.450 0.000) 6.591 39.276 ( -0.566 4.005 -0.000) 4.045 39.604 ( -2.565 -6.564 0.000) 7.048 40.082 ( -1.383 2.151 -0.000) 2.558 41.259 ( -2.456 0.073 -0.000) 2.457 ======================= Grid point 24 (23/50) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -18.012 0.000 -18.232) 25.629 0.934 ( -18.385 0.000 -22.171) 28.802 1.241 ( -29.963 0.000 -23.457) 38.053 1.401 ( -9.913 0.000 -15.494) 18.394 2.063 ( -1.185 -0.000 3.982) 4.154 2.114 ( -4.121 -0.000 5.377) 6.774 2.176 ( -1.132 0.000 -0.567) 1.266 2.283 ( -0.355 -0.000 1.262) 1.311 2.290 ( 0.661 0.000 -5.371) 5.412 2.397 ( -4.880 -0.000 4.304) 6.507 2.616 ( -4.342 -0.000 1.016) 4.459 2.662 ( 0.259 0.000 -3.254) 3.265 2.689 ( -2.163 -0.000 0.312) 2.186 2.841 ( 0.207 0.000 -4.688) 4.692 2.897 ( -0.709 -0.000 1.654) 1.800 2.946 ( 0.666 -0.000 1.607) 1.739 3.166 ( 2.275 -0.000 8.361) 8.665 3.237 ( 0.914 0.000 -1.229) 1.532 3.881 ( -19.657 -0.000 0.565) 19.666 4.388 ( -4.949 -0.000 1.545) 5.184 4.498 ( 16.735 -0.000 2.900) 16.985 5.228 ( -12.896 -0.000 0.316) 12.900 5.486 ( 4.287 -0.000 0.391) 4.305 5.739 ( -1.841 -0.000 1.985) 2.707 5.830 ( -7.897 0.000 -0.988) 7.959 6.102 ( 2.033 -0.000 4.874) 5.281 6.121 ( -1.168 -0.000 3.067) 3.282 6.249 ( 0.362 0.000 -3.498) 3.517 6.266 ( 1.585 -0.000 0.615) 1.700 6.546 ( 1.131 0.000 -8.209) 8.287 6.641 ( -6.987 -0.000 3.385) 7.763 6.886 ( 0.952 -0.000 1.638) 1.895 7.011 ( 0.824 0.000 -0.939) 1.249 7.242 ( 3.443 0.000 -11.406) 11.914 7.491 ( -2.916 -0.000 0.921) 3.058 7.549 ( 2.828 -0.000 8.617) 9.070 7.573 ( 5.522 -0.000 6.127) 8.248 7.636 ( -0.028 0.000 -1.382) 1.382 11.667 ( 7.525 0.000 -0.057) 7.525 11.842 ( 4.944 0.000 -24.407) 24.903 12.603 ( -3.264 -0.000 3.600) 4.859 13.301 ( -10.854 -0.000 14.779) 18.337 13.568 ( -3.479 -0.000 5.263) 6.309 14.244 ( -18.588 -0.000 -1.582) 18.655 14.929 ( 1.492 0.000 -10.936) 11.037 15.647 ( -2.485 0.000 -10.816) 11.098 15.925 ( -36.347 -0.000 23.679) 43.379 16.886 ( 24.550 0.000 0.119) 24.551 16.982 ( -6.739 -0.000 7.265) 9.910 17.544 ( -13.734 -0.000 5.861) 14.933 17.601 ( -5.010 0.000 -2.393) 5.552 17.752 ( 2.288 0.000 -0.288) 2.307 18.680 ( -11.619 0.000 -3.208) 12.053 18.690 ( 20.282 -0.000 9.059) 22.213 18.914 ( -23.692 -0.000 18.849) 30.275 19.309 ( 5.597 0.000 -9.549) 11.068 19.880 ( 1.246 0.000 -1.247) 1.763 20.079 ( -6.182 -0.000 5.701) 8.410 20.429 ( -8.093 0.000 -8.001) 11.380 20.660 ( 0.110 -0.000 4.766) 4.767 20.695 ( 11.567 0.000 -3.913) 12.211 20.928 ( 5.054 -0.000 2.040) 5.450 21.179 ( 0.410 -0.000 6.821) 6.833 21.400 ( -8.893 0.000 -8.902) 12.583 22.324 ( 22.704 0.000 -21.069) 30.974 22.552 ( 17.331 0.000 -3.542) 17.690 22.787 ( 15.679 0.000 -21.321) 26.465 22.854 ( 2.590 -0.000 5.980) 6.517 23.193 ( 2.844 -0.000 0.399) 2.872 23.296 ( -3.890 0.000 -5.700) 6.901 23.333 ( -3.229 0.000 -1.899) 3.746 23.411 ( -5.441 0.000 -2.543) 6.006 23.506 ( 3.840 -0.000 4.213) 5.701 23.649 ( -1.685 -0.000 1.673) 2.374 23.756 ( 1.457 -0.000 1.870) 2.371 24.254 ( 0.374 0.000 -1.432) 1.480 24.264 ( -10.027 0.000 -1.673) 10.165 24.570 ( -6.653 -0.000 0.313) 6.661 25.580 ( 7.140 0.000 -12.465) 14.365 25.691 ( 14.722 0.000 -1.100) 14.763 26.188 ( -5.649 -0.000 23.491) 24.161 26.428 ( -7.164 -0.000 0.548) 7.185 27.169 ( 10.428 -0.000 4.861) 11.505 27.531 ( 2.990 -0.000 1.932) 3.560 27.916 ( 23.475 0.000 -11.551) 26.163 28.094 ( -0.545 -0.000 2.304) 2.368 28.121 ( -19.767 -0.000 -1.149) 19.801 28.311 ( 0.092 -0.000 4.394) 4.395 28.555 ( -0.210 0.000 -2.130) 2.141 29.417 ( -23.554 -0.000 18.932) 30.220 30.082 ( -2.040 -0.000 0.823) 2.200 30.169 ( 1.861 -0.000 0.505) 1.928 30.741 ( -5.513 0.000 -8.563) 10.185 30.796 ( -6.933 0.000 -5.451) 8.820 31.642 ( 6.715 -0.000 1.247) 6.830 31.800 ( -9.336 -0.000 2.967) 9.796 32.187 ( 12.135 0.000 -8.551) 14.845 32.214 ( -3.947 -0.000 0.372) 3.965 33.042 ( 6.130 -0.000 5.118) 7.986 33.290 ( -12.063 -0.000 11.509) 16.672 33.469 ( 12.562 0.000 -4.722) 13.420 33.686 ( 4.323 0.000 -0.286) 4.332 33.830 ( 2.078 0.000 -0.601) 2.163 33.856 ( 8.271 0.000 0.375) 8.279 34.304 ( -2.513 0.000 -9.343) 9.675 34.560 ( 12.262 0.000 -1.423) 12.344 34.984 ( -9.778 -0.000 8.690) 13.082 35.426 ( 1.838 0.000 0.020) 1.838 35.880 ( 0.548 -0.000 12.616) 12.628 37.179 ( 6.134 0.000 -32.788) 33.357 38.255 ( 7.533 -0.000 12.745) 14.805 38.430 ( -4.351 -0.000 -0.057) 4.351 38.894 ( 9.041 -0.000 1.537) 9.171 39.236 ( -8.292 -0.000 4.508) 9.439 39.849 ( 5.308 0.000 -1.365) 5.481 40.221 ( 1.816 0.000 -3.173) 3.655 41.611 ( 4.962 0.000 -0.253) 4.968 ======================= Grid point 25 (24/50) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 25.151 0.000 0.000) 25.151 1.217 ( 27.273 0.000 0.000) 27.273 1.500 ( 16.976 0.000 0.000) 16.976 1.680 ( 34.884 0.000 0.000) 34.884 2.165 ( 3.378 0.000 0.000) 3.378 2.190 ( 0.916 0.000 0.000) 0.916 2.202 ( -1.459 -0.000 -0.000) 1.459 2.281 ( 5.724 0.000 0.000) 5.724 2.296 ( 0.415 0.000 0.000) 0.415 2.503 ( 1.308 0.000 0.000) 1.308 2.616 ( -0.422 -0.000 -0.000) 0.422 2.708 ( 1.880 0.000 0.000) 1.880 2.717 ( 6.252 0.000 0.000) 6.252 2.843 ( 4.134 0.000 0.000) 4.134 2.942 ( 0.431 0.000 0.000) 0.431 2.959 ( -0.194 -0.000 -0.000) 0.194 3.195 ( -1.153 -0.000 -0.000) 1.153 3.216 ( -3.259 -0.000 -0.000) 3.259 4.193 ( -16.343 -0.000 -0.000) 16.343 4.323 ( 22.637 0.000 0.000) 22.637 4.534 ( 8.044 0.000 0.000) 8.044 5.392 ( -5.803 -0.000 -0.000) 5.803 5.453 ( 10.488 0.000 0.000) 10.488 5.833 ( 3.688 0.000 0.000) 3.688 5.886 ( 5.681 0.000 0.000) 5.681 6.077 ( -5.420 -0.000 -0.000) 5.420 6.198 ( 1.306 0.000 0.000) 1.306 6.237 ( 1.811 0.000 0.000) 1.811 6.343 ( 4.609 0.000 0.000) 4.609 6.420 ( -1.972 -0.000 -0.000) 1.972 6.896 ( -0.031 -0.000 -0.000) 0.031 6.939 ( -4.057 -0.000 -0.000) 4.057 6.943 ( 14.748 0.000 0.000) 14.748 6.977 ( -3.690 -0.000 -0.000) 3.690 7.526 ( -6.805 -0.000 -0.000) 6.805 7.538 ( -5.146 -0.000 -0.000) 5.146 7.592 ( -2.379 -0.000 -0.000) 2.379 7.611 ( 3.093 0.000 0.000) 3.093 11.462 ( -13.107 -0.000 -0.000) 13.107 11.475 ( -1.337 -0.000 -0.000) 1.337 12.714 ( 3.778 0.000 0.000) 3.778 13.750 ( 17.196 0.000 0.000) 17.196 13.826 ( 8.803 0.000 0.000) 8.803 14.668 ( 25.603 0.000 0.000) 25.603 14.720 ( 0.148 0.000 0.000) 0.148 15.598 ( 5.343 0.000 0.000) 5.343 15.865 ( -29.357 -0.000 -0.000) 29.357 16.769 ( -9.442 -0.000 -0.000) 9.442 17.218 ( 8.401 0.000 0.000) 8.401 17.685 ( -4.355 -0.000 -0.000) 4.355 17.746 ( 10.157 0.000 0.000) 10.157 18.319 ( -29.404 -0.000 -0.000) 29.404 18.348 ( 30.229 0.000 0.000) 30.229 18.648 ( -0.757 -0.000 -0.000) 0.757 19.037 ( -5.296 -0.000 -0.000) 5.296 19.794 ( -3.543 -0.000 -0.000) 3.543 20.149 ( -8.309 -0.000 -0.000) 8.309 20.201 ( -0.154 -0.000 -0.000) 0.154 20.415 ( -6.351 -0.000 -0.000) 6.351 20.542 ( 8.664 0.000 0.000) 8.664 20.734 ( 3.219 0.000 0.000) 3.219 20.823 ( 9.493 0.000 0.000) 9.493 20.828 ( -9.497 -0.000 -0.000) 9.497 21.255 ( -2.676 -0.000 -0.000) 2.676 21.515 ( 14.681 0.000 0.000) 14.681 22.190 ( -13.255 -0.000 -0.000) 13.255 22.500 ( -5.020 -0.000 -0.000) 5.020 22.906 ( -4.776 -0.000 -0.000) 4.776 23.307 ( 4.418 0.000 0.000) 4.418 23.310 ( 7.700 0.000 0.000) 7.700 23.418 ( 1.947 0.000 0.000) 1.947 23.426 ( -9.466 -0.000 -0.000) 9.466 23.480 ( 9.391 0.000 0.000) 9.391 23.608 ( -3.867 -0.000 -0.000) 3.867 23.733 ( -1.819 -0.000 -0.000) 1.819 24.444 ( 11.095 0.000 0.000) 11.095 24.502 ( 15.273 0.000 0.000) 15.273 24.705 ( 4.568 0.000 0.000) 4.568 25.321 ( 0.549 0.000 0.000) 0.549 25.375 ( -14.202 -0.000 -0.000) 14.202 26.316 ( -25.945 -0.000 -0.000) 25.945 26.607 ( 6.754 0.000 0.000) 6.754 26.912 ( -19.225 -0.000 -0.000) 19.225 27.047 ( -19.654 -0.000 -0.000) 19.654 27.572 ( -14.053 -0.000 -0.000) 14.053 28.129 ( 0.500 0.000 0.000) 0.500 28.286 ( 0.521 0.000 0.000) 0.521 28.456 ( 7.045 0.000 0.000) 7.045 28.912 ( 34.838 0.000 0.000) 34.838 29.972 ( 9.289 0.000 0.000) 9.289 30.127 ( 0.367 0.000 0.000) 0.367 30.132 ( -2.867 -0.000 -0.000) 2.867 30.810 ( 10.830 0.000 0.000) 10.830 30.891 ( 11.109 0.000 0.000) 11.109 31.557 ( -7.274 -0.000 -0.000) 7.274 31.919 ( -1.004 -0.000 -0.000) 1.004 32.080 ( 15.441 0.000 0.000) 15.441 32.320 ( 6.061 0.000 0.000) 6.061 32.928 ( -24.677 -0.000 -0.000) 24.677 33.027 ( -11.633 -0.000 -0.000) 11.633 33.467 ( -2.278 -0.000 -0.000) 2.278 33.526 ( -10.407 -0.000 -0.000) 10.407 33.771 ( -0.288 -0.000 -0.000) 0.288 33.776 ( -3.453 -0.000 -0.000) 3.453 34.231 ( -18.940 -0.000 -0.000) 18.940 34.322 ( -3.569 -0.000 -0.000) 3.569 35.379 ( -2.820 -0.000 -0.000) 2.820 35.486 ( -2.652 -0.000 -0.000) 2.652 35.980 ( 17.457 0.000 0.000) 17.457 36.548 ( 2.647 0.000 0.000) 2.647 38.372 ( -2.195 -0.000 -0.000) 2.195 38.547 ( 7.475 0.000 0.000) 7.475 38.662 ( -14.583 -0.000 -0.000) 14.583 39.372 ( 2.373 0.000 0.000) 2.373 39.698 ( -8.491 -0.000 -0.000) 8.491 40.169 ( -1.039 -0.000 -0.000) 1.039 41.489 ( -7.313 -0.000 -0.000) 7.313 ======================= Grid point 26 (25/50) ======================= q-point: (-0.11 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -9.612 0.000 -2.925) 10.047 1.993 ( -3.225 -0.000 1.975) 3.782 2.047 ( 0.043 0.000 -0.737) 0.739 2.074 ( 5.353 -0.000 1.556) 5.575 2.135 ( -3.929 0.000 -2.632) 4.729 2.269 ( -1.221 0.000 -0.616) 1.368 2.327 ( -0.486 0.000 -0.396) 0.627 2.432 ( -5.814 -0.000 1.390) 5.978 2.433 ( 3.779 -0.000 0.403) 3.800 2.603 ( 3.759 0.000 -1.199) 3.946 2.672 ( 0.759 -0.000 3.595) 3.674 2.783 ( -0.588 0.000 -4.882) 4.917 2.874 ( -0.813 0.000 -0.419) 0.915 2.923 ( -0.405 -0.000 0.036) 0.407 2.986 ( -4.370 -0.000 0.250) 4.377 3.028 ( -2.025 -0.000 0.880) 2.208 3.102 ( -0.510 0.000 -2.461) 2.513 3.171 ( 0.727 0.000 -0.105) 0.734 3.672 ( 1.005 -0.000 4.443) 4.556 4.817 ( -4.473 -0.000 0.421) 4.493 4.852 ( -3.608 0.000 -1.553) 3.927 5.201 ( 1.920 0.000 -0.177) 1.928 5.728 ( -2.704 -0.000 -0.137) 2.708 5.763 ( -1.411 -0.000 1.395) 1.985 6.063 ( 1.245 0.000 -3.402) 3.623 6.181 ( -0.138 0.000 -2.642) 2.645 6.195 ( -0.668 -0.000 0.475) 0.819 6.242 ( -0.793 0.000 -1.468) 1.669 6.616 ( 4.434 -0.000 4.417) 6.259 6.658 ( -4.360 0.000 -1.146) 4.508 6.756 ( -0.582 -0.000 4.712) 4.748 6.804 ( -1.264 -0.000 6.222) 6.349 6.924 ( 0.021 0.000 -0.310) 0.310 7.041 ( -1.057 0.000 -2.800) 2.993 7.197 ( 1.873 0.000 -5.579) 5.884 7.433 ( 5.960 0.000 0.042) 5.960 7.634 ( -8.063 -0.000 0.491) 8.078 7.765 ( -1.350 0.000 -0.130) 1.356 10.970 ( 6.625 0.000 0.004) 6.625 11.725 ( 5.445 -0.000 2.079) 5.829 12.797 ( -2.263 -0.000 0.076) 2.265 14.080 ( -2.025 0.000 -9.715) 9.923 14.222 ( -24.034 -0.000 7.706) 25.239 14.856 ( 1.994 -0.000 3.176) 3.750 15.099 ( 23.827 0.000 -6.077) 24.589 15.582 ( -12.295 0.000 -1.945) 12.448 15.876 ( 1.556 -0.000 1.463) 2.136 16.448 ( 1.126 -0.000 0.918) 1.453 17.020 ( 7.620 0.000 -4.411) 8.805 17.519 ( 0.500 -0.000 0.758) 0.908 17.626 ( -2.697 -0.000 5.682) 6.290 17.999 ( -1.334 -0.000 0.790) 1.550 18.420 ( -13.949 -0.000 13.471) 19.392 19.077 ( -2.380 0.000 -19.431) 19.576 19.214 ( 7.673 0.000 -5.859) 9.655 19.845 ( -4.311 0.000 -5.207) 6.760 19.922 ( 4.488 -0.000 8.403) 9.527 19.931 ( 1.739 -0.000 4.295) 4.634 20.124 ( -4.563 0.000 -5.411) 7.078 20.264 ( 5.681 0.000 -0.463) 5.700 20.597 ( -3.777 -0.000 11.379) 11.990 20.838 ( 3.759 0.000 -3.360) 5.042 21.035 ( -2.438 -0.000 3.566) 4.319 21.978 ( 9.663 -0.000 14.838) 17.707 22.047 ( 0.708 0.000 0.015) 0.708 22.369 ( 6.071 0.000 -15.939) 17.056 22.428 ( -14.180 0.000 -2.102) 14.335 22.615 ( 0.619 0.000 -5.583) 5.617 22.697 ( 14.823 -0.000 7.788) 16.744 23.123 ( -3.277 0.000 -6.405) 7.195 23.305 ( 1.190 0.000 -3.832) 4.013 23.563 ( 0.991 -0.000 1.280) 1.619 23.771 ( -0.526 -0.000 4.036) 4.070 23.835 ( 0.705 0.000 -5.557) 5.602 24.057 ( 0.265 -0.000 1.649) 1.670 24.616 ( -14.902 -0.000 0.914) 14.930 24.951 ( 7.809 0.000 -2.459) 8.187 25.009 ( 1.318 0.000 -4.035) 4.244 25.315 ( -6.812 -0.000 1.551) 6.987 25.330 ( 4.569 -0.000 3.607) 5.822 25.375 ( 0.088 -0.000 3.780) 3.781 25.843 ( 6.382 -0.000 2.433) 6.830 26.557 ( 8.984 0.000 -8.273) 12.212 26.787 ( 1.184 -0.000 1.016) 1.560 27.056 ( 6.159 -0.000 6.116) 8.679 28.142 ( -0.870 -0.000 0.249) 0.905 28.169 ( -0.340 0.000 -0.384) 0.513 28.556 ( -3.205 -0.000 0.698) 3.280 29.969 ( 0.671 0.000 -0.384) 0.774 30.072 ( -0.622 -0.000 2.976) 3.040 30.156 ( -11.134 -0.000 2.716) 11.460 30.468 ( -23.179 -0.000 -1.389) 23.221 31.247 ( -0.612 0.000 -2.498) 2.572 31.551 ( 0.272 0.000 -7.318) 7.323 31.638 ( -3.352 0.000 -5.846) 6.739 31.762 ( 11.473 -0.000 1.318) 11.549 31.915 ( 4.009 -0.000 3.512) 5.330 32.163 ( 20.385 0.000 -3.073) 20.615 32.475 ( -2.879 -0.000 0.112) 2.881 32.570 ( -8.744 -0.000 3.519) 9.425 33.256 ( -1.145 -0.000 3.209) 3.407 33.566 ( 4.985 -0.000 1.344) 5.163 33.595 ( -1.523 -0.000 17.971) 18.035 33.608 ( 5.456 0.000 -0.903) 5.530 33.841 ( -1.964 0.000 -2.408) 3.107 34.137 ( 6.165 -0.000 2.016) 6.486 34.869 ( 1.404 0.000 -26.790) 26.827 35.289 ( 1.024 0.000 -0.035) 1.025 36.661 ( -14.202 -0.000 21.202) 25.519 37.318 ( 18.422 0.000 0.225) 18.423 37.656 ( -6.401 0.000 -12.507) 14.050 38.377 ( 1.918 -0.000 2.625) 3.251 38.845 ( -5.006 -0.000 0.035) 5.006 39.371 ( 5.642 0.000 -0.121) 5.643 39.493 ( -1.456 0.000 -0.310) 1.489 40.098 ( 0.869 -0.000 0.360) 0.941 41.263 ( 2.669 0.000 -0.073) 2.670 ======================= Grid point 27 (26/50) ======================= q-point: ( 0.12 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 26.109 -0.000) 26.109 0.642 ( 0.000 29.161 -0.000) 29.161 0.999 ( 0.000 43.447 -0.000) 43.447 1.059 ( 0.000 3.279 -0.000) 3.279 2.031 ( -0.000 -4.495 0.000) 4.495 2.071 ( -0.000 -6.734 0.000) 6.734 2.153 ( -0.000 -0.188 0.000) 0.188 2.264 ( 0.000 2.589 -0.000) 2.589 2.401 ( 0.000 7.136 -0.000) 7.136 2.468 ( -0.000 -5.527 0.000) 5.527 2.471 ( 0.000 2.948 -0.000) 2.948 2.613 ( -0.000 -0.830 0.000) 0.830 2.705 ( -0.000 -2.971 0.000) 2.971 2.717 ( 0.000 2.025 -0.000) 2.025 2.938 ( -0.000 -3.286 0.000) 3.286 3.095 ( -0.000 -1.361 0.000) 1.361 3.226 ( 0.000 0.266 -0.000) 0.266 3.263 ( -0.000 -3.014 0.000) 3.014 3.666 ( 0.000 0.716 -0.000) 0.716 4.563 ( 0.000 9.038 -0.000) 9.038 4.694 ( -0.000 -5.210 0.000) 5.210 5.037 ( -0.000 -0.027 0.000) 0.027 5.246 ( -0.000 -11.991 0.000) 11.991 5.736 ( -0.000 -26.284 0.000) 26.284 5.761 ( 0.000 0.770 -0.000) 0.770 5.825 ( 0.000 4.337 -0.000) 4.337 6.125 ( 0.000 24.589 -0.000) 24.589 6.314 ( -0.000 -0.813 0.000) 0.813 6.385 ( -0.000 -0.102 0.000) 0.102 6.466 ( 0.000 0.380 -0.000) 0.380 6.904 ( 0.000 16.062 -0.000) 16.062 6.916 ( -0.000 -0.973 0.000) 0.973 6.993 ( 0.000 0.136 -0.000) 0.136 7.119 ( 0.000 2.348 -0.000) 2.348 7.166 ( -0.000 -17.786 0.000) 17.786 7.655 ( -0.000 -1.892 0.000) 1.892 7.772 ( 0.000 7.555 -0.000) 7.555 7.774 ( -0.000 -7.464 0.000) 7.464 11.723 ( 0.000 15.918 -0.000) 15.918 11.740 ( -0.000 -0.000 0.000) 0.000 12.564 ( -0.000 -4.791 0.000) 4.791 13.227 ( -0.000 -12.744 0.000) 12.744 13.767 ( 0.000 6.206 -0.000) 6.206 14.082 ( 0.000 3.890 -0.000) 3.890 14.844 ( 0.000 8.846 -0.000) 8.846 15.134 ( 0.000 5.069 -0.000) 5.069 16.336 ( -0.000 -6.645 0.000) 6.645 16.947 ( -0.000 -6.461 0.000) 6.461 16.976 ( 0.000 6.827 -0.000) 6.827 17.250 ( -0.000 -1.814 0.000) 1.814 17.496 ( 0.000 0.860 -0.000) 0.860 17.851 ( 0.000 7.686 -0.000) 7.686 18.784 ( -0.000 -14.167 0.000) 14.167 18.809 ( -0.000 -3.252 0.000) 3.252 19.164 ( 0.000 0.575 -0.000) 0.575 19.939 ( -0.000 -1.179 0.000) 1.179 20.053 ( 0.000 4.329 -0.000) 4.329 20.089 ( -0.000 -18.824 0.000) 18.824 20.159 ( -0.000 -2.675 0.000) 2.675 20.493 ( -0.000 -17.602 0.000) 17.602 20.834 ( 0.000 7.746 -0.000) 7.746 21.055 ( 0.000 19.123 -0.000) 19.123 21.185 ( -0.000 -8.491 0.000) 8.491 21.683 ( 0.000 25.926 -0.000) 25.926 21.789 ( -0.000 -6.749 0.000) 6.749 22.550 ( -0.000 -4.392 0.000) 4.392 22.907 ( 0.000 5.679 -0.000) 5.679 22.909 ( 0.000 1.747 -0.000) 1.747 22.943 ( -0.000 -0.800 0.000) 0.800 23.286 ( 0.000 2.989 -0.000) 2.989 23.331 ( -0.000 -0.238 0.000) 0.238 23.398 ( 0.000 1.988 -0.000) 1.988 23.532 ( -0.000 -5.392 0.000) 5.392 23.745 ( -0.000 -0.500 0.000) 0.500 23.808 ( -0.000 -0.574 0.000) 0.574 24.038 ( -0.000 -7.405 0.000) 7.405 24.501 ( 0.000 0.826 -0.000) 0.826 24.619 ( 0.000 0.195 -0.000) 0.195 25.501 ( 0.000 1.573 -0.000) 1.573 25.554 ( 0.000 13.392 -0.000) 13.392 25.869 ( -0.000 -1.180 0.000) 1.180 26.870 ( 0.000 5.119 -0.000) 5.119 27.318 ( -0.000 -4.302 0.000) 4.302 27.510 ( -0.000 -1.719 0.000) 1.719 27.511 ( -0.000 -1.120 0.000) 1.120 27.864 ( -0.000 -0.162 0.000) 0.162 28.149 ( 0.000 1.987 -0.000) 1.987 28.443 ( 0.000 3.438 -0.000) 3.438 28.456 ( -0.000 -2.310 0.000) 2.310 28.697 ( -0.000 -0.162 0.000) 0.162 30.080 ( 0.000 1.674 -0.000) 1.674 30.163 ( -0.000 -2.230 0.000) 2.230 30.614 ( 0.000 2.511 -0.000) 2.511 30.963 ( 0.000 2.851 -0.000) 2.851 31.698 ( -0.000 -3.489 0.000) 3.489 31.790 ( 0.000 3.279 -0.000) 3.279 31.995 ( 0.000 2.824 -0.000) 2.824 32.098 ( -0.000 -5.181 0.000) 5.181 33.069 ( 0.000 5.019 -0.000) 5.019 33.121 ( -0.000 -0.276 0.000) 0.276 33.670 ( 0.000 15.122 -0.000) 15.122 33.719 ( 0.000 2.129 -0.000) 2.129 33.805 ( -0.000 -17.594 0.000) 17.594 33.950 ( -0.000 -0.136 0.000) 0.136 34.603 ( 0.000 9.797 -0.000) 9.797 34.612 ( -0.000 -14.889 0.000) 14.889 34.676 ( 0.000 1.405 -0.000) 1.405 35.559 ( 0.000 1.224 -0.000) 1.224 36.372 ( -0.000 -9.425 0.000) 9.425 36.947 ( 0.000 9.705 -0.000) 9.705 38.409 ( 0.000 1.749 -0.000) 1.749 38.430 ( 0.000 0.217 -0.000) 0.217 38.944 ( -0.000 -6.278 0.000) 6.278 39.067 ( -0.000 -0.394 0.000) 0.394 40.169 ( -0.000 -2.101 0.000) 2.101 40.298 ( 0.000 1.744 -0.000) 1.744 41.660 ( 0.000 0.081 -0.000) 0.081 ======================= Grid point 28 (27/50) ======================= q-point: ( 0.12 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 16.867 4.731 1.139) 17.555 1.796 ( 12.608 3.014 5.460) 14.067 1.826 ( 12.054 -0.280 5.051) 13.072 2.095 ( 3.190 -1.145 -2.991) 4.520 2.176 ( -0.931 -0.592 0.503) 1.213 2.212 ( 2.347 1.023 0.327) 2.581 2.306 ( 7.039 -1.308 -0.670) 7.191 2.386 ( 6.259 1.693 2.577) 6.977 2.412 ( 3.080 5.022 -0.110) 5.893 2.573 ( 0.443 1.428 3.594) 3.893 2.626 ( -0.980 0.549 2.251) 2.516 2.747 ( -0.223 -3.029 -1.452) 3.366 2.809 ( 2.082 -1.981 0.040) 2.875 2.900 ( 6.510 -1.066 -1.622) 6.793 2.949 ( 3.515 -0.093 1.988) 4.040 2.991 ( 2.402 3.664 -2.411) 5.001 3.084 ( -0.781 0.314 -3.072) 3.185 3.199 ( -1.235 1.009 1.047) 1.908 3.858 ( -11.194 -3.052 -1.755) 11.734 4.657 ( 14.531 -1.034 -0.589) 14.580 4.723 ( 5.714 1.633 -0.369) 5.954 5.306 ( -0.910 2.449 -0.201) 2.621 5.631 ( 7.034 -0.291 0.196) 7.043 5.753 ( 1.310 -6.844 -3.780) 7.927 5.961 ( 3.412 -0.963 1.460) 3.834 6.073 ( 6.008 0.608 3.139) 6.806 6.185 ( -0.555 -0.317 0.166) 0.660 6.286 ( -2.820 1.775 -2.647) 4.255 6.503 ( 7.612 4.871 -1.510) 9.162 6.563 ( -1.092 4.760 8.764) 10.032 6.843 ( 1.271 1.506 -4.232) 4.668 6.912 ( -1.096 -1.454 0.961) 2.059 6.945 ( -6.815 0.212 5.333) 8.657 7.180 ( -7.522 -7.050 -7.162) 12.553 7.263 ( 2.151 -0.412 -2.228) 3.124 7.348 ( 6.226 -2.359 -0.562) 6.681 7.448 ( 2.278 -3.572 -0.202) 4.242 7.823 ( -1.623 6.364 0.468) 6.584 11.170 ( -14.296 -1.262 -0.075) 14.351 11.708 ( -3.302 3.643 10.316) 11.428 12.786 ( 4.848 1.710 -1.437) 5.338 13.838 ( 17.252 -4.816 -6.794) 19.157 13.986 ( 14.059 0.606 -6.159) 15.361 15.015 ( -0.789 12.671 8.069) 15.043 15.302 ( 24.043 8.715 0.699) 25.583 15.415 ( -23.421 1.339 3.010) 23.651 15.867 ( 2.476 4.770 5.265) 7.523 16.436 ( -2.455 -8.271 -2.115) 8.883 17.322 ( -8.099 4.279 -5.383) 10.624 17.473 ( -2.783 -6.537 -1.800) 7.329 17.658 ( 2.152 -9.491 -2.582) 10.068 17.891 ( -9.098 -2.392 4.603) 10.474 18.356 ( 6.759 -9.489 -8.918) 14.671 18.914 ( 6.091 3.260 -3.964) 7.965 19.171 ( 6.359 6.715 8.241) 12.387 19.588 ( 0.557 -1.274 -7.470) 7.598 19.834 ( 2.697 -0.959 1.371) 3.174 20.131 ( -3.117 -3.387 -6.310) 7.810 20.215 ( -6.239 0.978 -1.653) 6.528 20.574 ( -3.857 3.447 3.710) 6.366 20.690 ( 1.909 -1.539 -2.424) 3.449 20.749 ( -2.286 1.604 0.399) 2.821 21.098 ( -0.554 -3.176 -0.180) 3.229 21.769 ( -6.852 -4.325 19.400) 21.024 22.009 ( 5.130 1.815 8.259) 9.891 22.088 ( 8.410 10.563 4.680) 14.290 22.541 ( -6.403 8.299 0.104) 10.483 22.738 ( -2.945 4.411 -2.749) 5.974 23.051 ( -10.067 -3.502 -2.461) 10.940 23.262 ( -2.207 0.622 -12.343) 12.554 23.304 ( -2.339 0.642 -0.813) 2.558 23.393 ( 3.557 -10.996 3.203) 11.992 23.455 ( -1.664 -11.646 0.489) 11.775 23.737 ( 5.857 5.182 2.311) 8.155 24.057 ( 4.864 7.331 6.850) 11.150 24.452 ( 10.934 -2.659 -5.546) 12.545 24.782 ( 11.883 2.054 3.951) 12.690 25.024 ( 1.673 6.119 4.455) 7.751 25.236 ( -5.739 3.169 2.909) 7.172 25.391 ( 2.801 -2.612 0.610) 3.878 25.636 ( -15.011 -6.929 -8.009) 18.371 26.366 ( -16.231 2.680 -8.979) 18.742 26.721 ( -20.752 -1.487 2.914) 21.008 26.855 ( -4.261 5.121 3.765) 7.652 27.229 ( -13.615 -4.546 1.343) 14.416 28.148 ( 1.250 0.854 -2.242) 2.705 28.224 ( -0.936 1.326 -1.381) 2.131 28.440 ( 4.564 -7.707 -1.099) 9.024 29.654 ( 30.230 -2.682 -0.680) 30.356 29.737 ( 14.215 -9.838 -0.097) 17.288 30.147 ( 0.778 2.633 1.352) 3.060 30.467 ( 5.427 16.373 -6.571) 18.458 31.017 ( 12.170 -6.554 5.117) 14.739 31.255 ( 12.476 1.289 3.291) 12.967 31.426 ( -4.593 3.287 0.852) 5.712 31.945 ( -2.963 -0.014 1.268) 3.223 32.140 ( -18.030 -11.360 -5.742) 22.070 32.346 ( 12.360 -1.916 -0.866) 12.538 32.526 ( 3.320 4.554 -1.112) 5.744 32.691 ( -27.930 0.416 2.183) 28.018 33.362 ( -1.744 0.106 -1.542) 2.330 33.626 ( -0.585 -1.221 13.783) 13.849 33.697 ( -2.564 -1.291 -2.016) 3.508 33.747 ( -6.633 3.000 -0.276) 7.285 33.939 ( -14.081 4.854 -1.723) 14.994 34.207 ( -6.351 -2.614 4.384) 8.147 34.885 ( -3.127 -1.619 -24.648) 24.898 35.523 ( -2.912 15.471 0.282) 15.746 36.358 ( 22.616 -11.518 -0.366) 25.382 37.048 ( -6.434 3.703 30.813) 31.695 37.923 ( -9.518 -6.202 -20.727) 23.636 38.442 ( -6.039 -2.926 2.396) 7.125 38.764 ( 8.598 4.385 -0.060) 9.652 39.282 ( 1.187 -6.175 0.539) 6.311 39.712 ( -7.782 9.148 -0.197) 12.012 40.111 ( -1.968 -2.512 0.042) 3.192 41.349 ( -6.369 -0.080 0.088) 6.370 ======================= Grid point 31 (28/50) ======================= q-point: (-0.64 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 9.293 1.132 -1.728) 9.520 1.984 ( 7.099 -1.821 0.653) 7.358 2.038 ( 1.752 -1.156 -0.168) 2.106 2.088 ( -0.971 0.458 0.805) 1.342 2.123 ( -4.629 -0.346 -0.219) 4.647 2.260 ( 1.802 -0.477 -0.396) 1.905 2.427 ( 6.657 0.456 -0.016) 6.672 2.497 ( 2.363 1.468 -2.431) 3.695 2.534 ( -0.507 -3.327 1.174) 3.564 2.546 ( -4.106 -1.150 0.330) 4.276 2.594 ( 0.324 5.683 1.961) 6.020 2.636 ( -2.503 -3.230 -0.095) 4.087 2.816 ( 1.378 0.203 -0.629) 1.528 3.002 ( 1.153 -0.331 -2.020) 2.349 3.010 ( 2.821 0.463 0.532) 2.908 3.069 ( 1.067 -0.068 2.394) 2.622 3.127 ( 1.598 -0.519 0.654) 1.803 3.198 ( -0.296 0.016 -0.911) 0.958 3.666 ( -2.991 1.035 -0.940) 3.301 4.783 ( 1.497 0.155 -0.070) 1.507 4.847 ( 5.114 -0.108 1.106) 5.233 5.386 ( 1.063 -0.059 0.158) 1.077 5.691 ( 1.837 0.765 0.104) 1.992 5.716 ( 2.250 0.128 0.148) 2.259 6.046 ( 2.619 -0.871 1.273) 3.039 6.170 ( -0.538 -0.342 2.020) 2.118 6.198 ( 3.527 0.156 -0.606) 3.582 6.240 ( -1.948 -0.220 2.173) 2.927 6.579 ( -3.440 -1.771 -7.519) 8.456 6.640 ( 2.045 -0.810 -1.868) 2.885 6.796 ( -6.754 0.266 -7.295) 9.945 6.834 ( 0.255 2.497 1.518) 2.934 6.910 ( 1.176 -0.282 0.973) 1.552 6.996 ( -1.238 0.955 5.077) 5.313 7.201 ( -2.297 0.061 5.781) 6.221 7.498 ( 7.762 0.567 -0.147) 7.784 7.560 ( 6.283 -0.668 -1.172) 6.426 7.812 ( -4.702 -0.142 0.032) 4.704 10.933 ( -6.746 0.023 0.035) 6.746 11.719 ( -1.904 -1.258 -3.780) 4.415 12.890 ( 2.406 0.219 0.457) 2.459 14.065 ( 6.968 -0.380 7.835) 10.492 14.222 ( 15.069 2.590 0.285) 15.292 14.959 ( -19.719 -2.303 -0.659) 19.864 15.215 ( -0.358 -0.701 -6.990) 7.034 15.926 ( 14.030 1.499 0.150) 14.111 15.986 ( 4.784 -2.077 -0.040) 5.216 16.299 ( -1.268 0.311 0.122) 1.311 17.091 ( -13.266 0.244 2.608) 13.522 17.232 ( -3.204 1.090 1.174) 3.582 17.531 ( -0.517 0.192 -0.930) 1.082 17.928 ( 2.005 -1.679 -4.374) 5.096 18.145 ( 1.438 3.907 -4.831) 6.378 19.074 ( 3.255 -1.509 12.559) 13.062 19.470 ( -0.403 3.936 -3.064) 5.004 19.560 ( 6.509 -9.207 -0.156) 11.277 19.748 ( -6.608 4.118 -3.742) 8.638 19.979 ( 0.339 1.768 9.229) 9.403 20.260 ( 1.469 -2.254 9.370) 9.749 20.558 ( -3.521 2.165 1.402) 4.365 20.665 ( -0.647 0.455 -8.240) 8.278 20.826 ( 0.750 -0.712 -3.223) 3.384 21.007 ( 0.406 0.878 -5.084) 5.175 21.581 ( -3.013 -1.097 -5.504) 6.370 22.211 ( 4.737 -3.222 1.232) 5.860 22.439 ( 4.648 -4.837 -5.615) 8.748 22.519 ( -3.452 3.356 -1.248) 4.974 22.709 ( -3.363 3.719 5.482) 7.429 22.952 ( -0.889 -0.453 -8.312) 8.371 23.081 ( -6.146 -2.080 2.657) 7.012 23.239 ( 3.065 4.258 9.565) 10.910 23.307 ( -3.883 -3.326 7.006) 8.673 23.328 ( -0.131 -0.398 3.405) 3.431 23.939 ( 5.453 -0.904 -3.771) 6.691 24.212 ( 2.175 -0.431 -6.326) 6.703 24.644 ( 10.267 0.874 0.715) 10.328 24.845 ( -5.189 -0.074 0.996) 5.284 25.095 ( -2.251 -2.154 -3.810) 4.922 25.222 ( -5.436 -0.919 -0.708) 5.558 25.337 ( 2.608 2.313 0.930) 3.608 25.489 ( 3.127 -0.016 -0.964) 3.272 26.103 ( -6.260 3.962 2.015) 7.678 26.425 ( -10.369 -2.454 7.265) 12.896 26.884 ( -1.936 -1.236 -2.505) 3.399 26.939 ( -5.745 1.206 -4.830) 7.602 28.160 ( 0.609 0.325 1.416) 1.575 28.300 ( -0.605 0.798 -0.330) 1.054 28.351 ( 2.588 -0.308 0.183) 2.613 29.648 ( 1.225 0.131 1.060) 1.625 30.032 ( 2.526 0.413 -3.127) 4.041 30.513 ( 24.777 -0.504 0.117) 24.782 30.770 ( 5.417 3.452 -0.177) 6.426 31.173 ( 8.755 -3.306 -2.493) 9.685 31.409 ( 2.848 -3.801 4.050) 6.241 31.512 ( -3.995 -3.122 0.731) 5.122 31.590 ( -9.725 4.856 6.862) 12.855 31.885 ( -5.493 1.518 -3.889) 6.900 32.096 ( -19.183 -1.295 3.629) 19.566 32.579 ( 6.688 0.724 -2.297) 7.108 32.662 ( 2.282 0.307 -0.696) 2.406 33.317 ( -1.315 0.676 -1.158) 1.878 33.564 ( -4.903 0.269 -1.156) 5.044 33.605 ( -0.067 0.469 -17.828) 17.834 33.680 ( -4.068 -0.068 0.470) 4.096 33.837 ( -2.649 -0.112 4.177) 4.947 34.110 ( -1.666 -0.374 -3.241) 3.663 34.830 ( -1.005 -0.146 27.234) 27.253 35.678 ( -3.017 -0.129 -0.900) 3.151 36.591 ( 22.062 5.191 -7.934) 24.013 36.960 ( -15.684 -8.082 -18.220) 25.363 37.648 ( -3.225 2.902 16.872) 17.421 38.354 ( -1.316 0.039 -1.821) 2.247 38.967 ( 4.648 0.038 -0.011) 4.648 39.237 ( 0.537 -0.199 -0.027) 0.573 39.681 ( -4.437 0.011 -0.045) 4.437 40.049 ( -0.649 0.120 0.030) 0.661 41.259 ( -2.531 -0.038 -0.048) 2.531 ======================= Grid point 32 (29/50) ======================= q-point: ( 0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -12.560 2.307 -0.000) 12.770 1.523 ( -16.094 9.995 -0.000) 18.945 1.695 ( -13.370 15.838 -0.000) 20.727 2.019 ( -10.822 1.931 -0.000) 10.993 2.074 ( -6.284 7.923 -0.000) 10.112 2.087 ( -5.616 -5.728 0.000) 8.022 2.155 ( -1.543 -3.038 0.000) 3.407 2.337 ( -2.199 2.575 -0.000) 3.386 2.489 ( -3.514 -0.895 0.000) 3.627 2.595 ( -1.423 3.502 -0.000) 3.780 2.604 ( -2.753 6.230 -0.000) 6.811 2.685 ( -5.277 -3.205 0.000) 6.174 2.699 ( -2.183 0.101 -0.000) 2.186 2.771 ( 0.859 -6.533 0.000) 6.589 2.850 ( -4.336 -0.219 -0.000) 4.342 3.057 ( -0.963 0.201 -0.000) 0.983 3.140 ( 0.884 -2.069 0.000) 2.250 3.204 ( 1.083 0.197 0.000) 1.101 4.036 ( 16.145 -5.349 0.000) 17.008 4.284 ( -21.690 0.080 -0.000) 21.690 4.688 ( -2.552 -1.402 0.000) 2.912 5.276 ( -4.665 0.218 -0.000) 4.670 5.437 ( -11.032 -0.258 -0.000) 11.035 5.538 ( -6.881 -3.688 0.000) 7.807 5.891 ( -4.957 1.865 -0.000) 5.297 5.987 ( -2.810 4.620 -0.000) 5.407 6.204 ( 1.510 2.128 -0.000) 2.609 6.400 ( 2.522 -2.009 0.000) 3.224 6.436 ( -7.477 -4.399 0.000) 8.675 6.711 ( 3.062 9.255 -0.000) 9.748 6.796 ( -0.250 -6.684 0.000) 6.689 6.961 ( 1.457 0.158 0.000) 1.466 7.018 ( 8.068 2.053 -0.000) 8.325 7.078 ( -5.050 -1.445 0.000) 5.253 7.145 ( -3.990 5.939 -0.000) 7.155 7.348 ( 4.976 -9.320 0.000) 10.565 7.491 ( 5.633 -0.880 0.000) 5.701 7.925 ( -0.435 0.401 -0.000) 0.591 11.438 ( 13.820 -0.060 0.000) 13.820 11.856 ( 8.562 12.438 -0.000) 15.100 12.668 ( -7.920 -2.493 0.000) 8.303 13.341 ( -18.810 -10.536 0.000) 21.560 14.023 ( -6.884 4.947 -0.000) 8.478 14.877 ( -29.303 1.161 -0.000) 29.326 15.026 ( -0.431 4.977 -0.000) 4.996 15.755 ( -8.050 2.402 -0.000) 8.400 16.088 ( 30.548 8.071 -0.000) 31.596 16.257 ( -6.880 -8.412 0.000) 10.868 17.302 ( -14.512 -6.091 0.000) 15.738 17.419 ( 4.882 0.064 0.000) 4.883 17.556 ( -5.739 -1.006 -0.000) 5.827 18.050 ( 18.950 -3.198 0.000) 19.218 18.190 ( 6.554 -15.955 0.000) 17.249 18.914 ( -8.280 -0.877 -0.000) 8.326 19.025 ( -11.871 12.892 -0.000) 17.525 19.792 ( 0.792 -1.224 0.000) 1.458 19.889 ( 8.337 -3.042 0.000) 8.875 20.152 ( -8.791 -5.619 0.000) 10.433 20.303 ( -0.802 -9.761 0.000) 9.794 20.459 ( -0.517 10.192 -0.000) 10.205 20.763 ( 0.256 -2.468 0.000) 2.482 20.905 ( 17.082 7.204 -0.000) 18.539 20.967 ( 2.833 -10.237 0.000) 10.622 21.639 ( -7.643 15.527 -0.000) 17.306 22.032 ( 13.391 1.510 0.000) 13.476 22.275 ( -2.336 18.466 -0.000) 18.613 22.772 ( 8.272 -4.407 0.000) 9.373 22.850 ( 0.675 5.658 -0.000) 5.699 23.042 ( 6.508 -2.073 0.000) 6.830 23.194 ( -1.641 -3.000 0.000) 3.419 23.252 ( 0.256 1.088 -0.000) 1.118 23.466 ( -2.071 2.312 -0.000) 3.104 23.500 ( 0.794 2.152 -0.000) 2.294 23.809 ( -7.053 -1.383 -0.000) 7.187 24.073 ( 10.350 4.785 -0.000) 11.402 24.127 ( -10.651 -7.260 0.000) 12.890 24.598 ( -16.742 7.555 -0.000) 18.368 24.964 ( -18.586 -2.864 -0.000) 18.806 25.247 ( 10.380 3.481 -0.000) 10.948 25.483 ( 13.975 -0.192 0.000) 13.976 25.828 ( 10.654 -6.280 0.000) 12.368 26.720 ( 17.938 -11.604 0.000) 21.364 26.915 ( 3.499 5.229 -0.000) 6.292 27.147 ( 13.540 5.240 -0.000) 14.519 27.438 ( 14.440 -0.838 0.000) 14.464 28.149 ( -1.800 -4.253 0.000) 4.618 28.219 ( -0.261 -2.267 0.000) 2.282 28.254 ( -1.129 2.158 -0.000) 2.436 28.930 ( -35.533 1.631 -0.000) 35.570 29.388 ( -15.633 -2.806 -0.000) 15.882 30.125 ( 0.806 -0.933 0.000) 1.233 30.374 ( -9.205 -10.622 0.000) 14.056 30.935 ( -6.132 9.436 -0.000) 11.254 31.101 ( -9.364 7.990 -0.000) 12.310 31.663 ( 5.144 4.616 -0.000) 6.912 31.906 ( -7.697 -0.134 -0.000) 7.699 32.047 ( -5.275 -1.674 0.000) 5.534 32.319 ( -4.276 1.794 -0.000) 4.637 32.552 ( 17.916 -8.397 0.000) 19.786 33.009 ( 10.381 -0.781 0.000) 10.410 33.381 ( -0.174 -2.625 0.000) 2.631 33.542 ( 13.340 0.321 0.000) 13.343 33.773 ( 2.928 0.743 -0.000) 3.021 33.922 ( 4.807 -1.390 0.000) 5.004 34.299 ( 16.587 -1.768 0.000) 16.681 34.367 ( 14.058 4.562 -0.000) 14.779 35.318 ( -30.483 1.432 -0.000) 30.516 35.491 ( 3.877 0.534 0.000) 3.913 35.938 ( 6.726 -10.934 0.000) 12.837 36.920 ( 5.167 14.377 -0.000) 15.278 38.352 ( 14.281 -5.162 0.000) 15.186 38.376 ( 2.376 0.262 0.000) 2.390 38.658 ( -7.125 -0.289 -0.000) 7.131 39.170 ( -3.045 0.073 -0.000) 3.046 39.960 ( 6.944 -3.765 0.000) 7.900 40.151 ( 5.005 3.646 -0.000) 6.192 41.488 ( 7.356 0.208 0.000) 7.359 ======================= Grid point 34 (30/50) ======================= q-point: (-0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -7.356 1.527 -0.000) 7.512 1.992 ( -4.874 0.165 -0.000) 4.876 2.053 ( 2.475 0.162 0.000) 2.480 2.071 ( 4.734 -1.935 0.000) 5.114 2.201 ( -1.404 3.833 -0.000) 4.082 2.249 ( -1.616 -1.634 0.000) 2.298 2.410 ( -6.359 -1.860 0.000) 6.626 2.416 ( 0.687 -0.616 0.000) 0.922 2.428 ( 0.497 -6.263 0.000) 6.283 2.598 ( 0.960 2.769 -0.000) 2.930 2.606 ( 3.838 1.127 -0.000) 4.000 2.803 ( -1.340 -0.125 -0.000) 1.346 2.806 ( 0.366 7.063 -0.000) 7.073 2.979 ( -1.090 0.251 -0.000) 1.118 3.006 ( -4.743 -0.147 -0.000) 4.745 3.076 ( -0.237 -7.035 0.000) 7.039 3.128 ( 0.271 1.010 -0.000) 1.046 3.167 ( 0.714 0.357 -0.000) 0.799 3.612 ( -0.808 -1.257 0.000) 1.494 4.795 ( -3.682 1.164 -0.000) 3.861 4.874 ( -4.067 0.346 -0.000) 4.082 5.289 ( 0.658 -6.691 0.000) 6.723 5.720 ( -3.026 2.340 -0.000) 3.825 5.725 ( -2.785 0.539 -0.000) 2.837 6.105 ( 0.801 1.145 -0.000) 1.398 6.195 ( -3.805 0.233 -0.000) 3.812 6.230 ( -0.079 0.676 -0.000) 0.681 6.274 ( -0.081 -1.009 0.000) 1.012 6.496 ( 9.293 1.811 0.000) 9.468 6.645 ( 2.400 1.120 -0.000) 2.648 6.656 ( 6.667 -0.182 0.000) 6.669 6.775 ( -11.680 -2.743 0.000) 11.998 6.930 ( -0.108 -0.049 0.000) 0.118 7.084 ( -1.838 1.400 -0.000) 2.311 7.298 ( 2.389 0.071 0.000) 2.390 7.438 ( -1.297 -2.115 0.000) 2.481 7.592 ( -7.927 2.451 -0.000) 8.297 7.793 ( 2.508 -1.756 0.000) 3.062 10.951 ( 6.626 1.363 0.000) 6.765 11.676 ( 6.733 0.078 0.000) 6.733 12.845 ( -2.893 -3.593 0.000) 4.613 14.131 ( -24.963 -1.100 -0.000) 24.987 14.272 ( -0.523 0.065 -0.000) 0.527 14.916 ( 1.995 -10.797 0.000) 10.979 15.077 ( 23.593 6.165 -0.000) 24.385 15.818 ( -11.061 -12.396 0.000) 16.613 15.861 ( -1.584 -4.061 0.000) 4.359 16.363 ( 0.347 5.101 -0.000) 5.113 17.135 ( 10.781 -0.452 0.000) 10.790 17.387 ( 0.321 10.343 -0.000) 10.348 17.615 ( -4.886 -6.913 0.000) 8.465 17.790 ( 1.065 12.211 -0.000) 12.257 18.175 ( -10.715 7.442 -0.000) 13.046 19.360 ( 9.026 -3.096 0.000) 9.542 19.422 ( -10.560 1.437 -0.000) 10.657 19.607 ( 1.240 9.041 -0.000) 9.126 19.702 ( 4.341 1.642 -0.000) 4.641 20.197 ( 1.382 -10.784 0.000) 10.872 20.264 ( -5.188 -2.598 0.000) 5.802 20.400 ( 7.241 -6.404 0.000) 9.666 20.451 ( -9.424 -8.525 0.000) 12.708 20.798 ( 5.748 4.668 -0.000) 7.405 20.931 ( -3.244 4.484 -0.000) 5.534 21.674 ( 8.926 9.977 -0.000) 13.387 22.157 ( 7.948 -11.682 0.000) 14.130 22.430 ( -14.384 2.128 -0.000) 14.540 22.496 ( 7.394 6.266 -0.000) 9.692 22.614 ( 4.956 -5.375 0.000) 7.312 22.805 ( 2.890 -6.356 0.000) 6.982 23.268 ( -3.898 -0.671 -0.000) 3.956 23.412 ( 1.275 4.938 -0.000) 5.100 23.421 ( 3.155 13.226 -0.000) 13.597 23.529 ( 0.178 -1.274 0.000) 1.287 23.953 ( 5.372 4.312 -0.000) 6.889 24.013 ( -0.636 -4.300 0.000) 4.347 24.620 ( -14.613 -1.331 -0.000) 14.674 24.913 ( 5.950 3.332 -0.000) 6.819 25.091 ( 1.934 6.414 -0.000) 6.699 25.257 ( 10.167 -7.409 0.000) 12.580 25.286 ( -6.572 2.657 -0.000) 7.089 25.385 ( -2.014 -5.298 0.000) 5.668 25.952 ( -1.464 -9.249 0.000) 9.364 26.739 ( 13.449 5.089 -0.000) 14.379 26.786 ( 4.524 -1.324 0.000) 4.714 26.825 ( 0.900 1.002 -0.000) 1.347 28.180 ( -1.678 -3.980 0.000) 4.319 28.181 ( -0.743 -0.153 -0.000) 0.759 28.483 ( -3.211 5.885 -0.000) 6.704 29.772 ( -2.224 9.462 -0.000) 9.720 29.981 ( -1.861 1.250 -0.000) 2.242 30.444 ( -9.094 -18.010 0.000) 20.176 30.507 ( -25.001 -1.545 -0.000) 25.049 31.288 ( -2.936 2.013 -0.000) 3.560 31.559 ( 12.587 7.055 -0.000) 14.430 31.673 ( 4.376 -0.377 0.000) 4.392 31.756 ( -1.455 11.922 -0.000) 12.010 31.785 ( 9.363 -1.029 0.000) 9.419 32.181 ( 15.129 1.015 0.000) 15.163 32.502 ( -10.006 -0.845 -0.000) 10.042 32.579 ( -3.177 -5.314 0.000) 6.192 33.255 ( -0.246 -2.773 0.000) 2.784 33.310 ( -0.064 -0.640 0.000) 0.643 33.548 ( 4.893 0.006 0.000) 4.893 33.649 ( 4.612 -2.537 0.000) 5.264 33.913 ( -3.435 -1.073 0.000) 3.598 34.068 ( 7.395 1.968 -0.000) 7.652 35.391 ( 0.682 -0.058 0.000) 0.684 35.452 ( 2.157 -12.209 0.000) 12.398 36.208 ( -10.093 0.300 -0.000) 10.097 37.100 ( 7.856 14.687 -0.000) 16.656 37.872 ( 0.575 1.013 -0.000) 1.165 38.314 ( 0.751 0.206 -0.000) 0.779 38.905 ( -5.013 -4.463 0.000) 6.712 39.288 ( 1.828 4.182 -0.000) 4.564 39.607 ( 2.423 -6.030 0.000) 6.499 40.071 ( 0.725 1.656 -0.000) 1.808 41.261 ( 2.726 0.182 0.000) 2.732 ======================= Grid point 35 (31/50) ======================= q-point: (-0.40 -0.26 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -10.613 1.760 -13.877) 17.559 1.503 ( -8.173 11.794 -6.716) 15.843 1.590 ( -9.553 -7.663 -16.450) 20.508 1.844 ( -8.382 10.997 4.948) 14.686 1.918 ( -7.152 -5.483 -12.371) 15.305 1.991 ( -1.159 0.281 0.938) 1.517 2.240 ( -3.000 -4.133 3.818) 6.376 2.249 ( 0.884 -2.525 0.789) 2.789 2.343 ( -6.339 -3.936 4.334) 8.629 2.483 ( 0.304 -4.920 -4.991) 7.015 2.565 ( -4.092 -1.354 2.109) 4.798 2.651 ( -2.042 1.593 0.776) 2.704 2.738 ( 0.335 0.802 -1.197) 1.479 2.782 ( -0.181 3.969 3.805) 5.501 2.811 ( -1.288 6.227 1.481) 6.529 3.006 ( 0.045 -4.878 0.176) 4.882 3.037 ( 0.178 0.399 -2.937) 2.970 3.253 ( 0.928 -0.721 1.367) 1.803 3.875 ( -18.833 0.224 -0.233) 18.836 4.342 ( 13.596 0.010 4.232) 14.239 4.486 ( -1.299 -9.782 2.623) 10.210 5.206 ( -12.222 0.536 0.584) 12.247 5.280 ( -2.804 9.567 0.420) 9.978 5.618 ( -1.294 11.866 0.268) 11.939 5.874 ( -1.795 4.197 1.511) 4.808 6.047 ( 0.922 1.912 -3.007) 3.681 6.150 ( -1.955 -13.426 0.946) 13.601 6.244 ( -0.287 -0.762 -2.840) 2.954 6.379 ( 1.863 -1.792 0.899) 2.737 6.471 ( -8.413 -1.607 -0.814) 8.603 6.866 ( 1.893 0.696 -0.229) 2.030 6.983 ( 1.577 0.183 -1.238) 2.014 7.061 ( 1.675 -13.488 -4.347) 14.270 7.245 ( -1.716 13.336 0.306) 13.449 7.282 ( 2.478 4.771 5.474) 7.672 7.381 ( 5.107 0.482 10.307) 11.513 7.487 ( 3.014 -1.101 -6.775) 7.496 7.823 ( -1.585 -6.665 -0.577) 6.876 11.663 ( 7.967 0.434 -0.041) 7.979 12.273 ( 10.753 4.157 -7.130) 13.556 12.488 ( -5.886 1.601 1.719) 6.338 12.989 ( -10.987 -4.607 11.486) 16.549 13.717 ( -4.902 -0.392 -15.933) 16.674 14.306 ( -20.400 -1.694 -1.923) 20.560 15.157 ( 2.656 -8.738 4.632) 10.240 15.668 ( -23.967 2.699 5.285) 24.691 15.859 ( -1.458 -1.027 -8.951) 9.127 16.753 ( 15.322 4.239 -2.454) 16.086 16.950 ( -0.746 -2.729 5.710) 6.372 17.465 ( -1.887 -0.108 0.538) 1.965 17.570 ( -1.316 7.111 0.055) 7.232 17.888 ( -1.622 -11.033 -2.152) 11.357 18.489 ( 11.681 3.398 7.798) 14.450 18.714 ( -4.770 -1.279 0.846) 5.011 18.915 ( -9.843 -5.799 -2.856) 11.776 19.513 ( 0.112 3.289 -14.400) 14.771 19.927 ( -6.194 -3.375 2.433) 7.462 20.001 ( -1.115 -1.308 0.306) 1.746 20.368 ( 2.617 3.493 11.113) 11.939 20.533 ( -4.594 6.516 -3.431) 8.679 20.749 ( 8.292 1.743 -6.604) 10.743 20.904 ( 4.532 -1.601 0.821) 4.876 21.097 ( 3.292 -2.026 -0.485) 3.895 21.694 ( -7.470 -8.127 1.769) 11.180 22.425 ( 11.429 5.850 -3.264) 13.248 22.576 ( 6.908 14.472 -6.363) 17.252 22.752 ( 7.789 -6.743 -2.831) 10.684 22.984 ( 2.390 2.266 1.272) 3.531 23.202 ( 1.505 3.459 -0.325) 3.786 23.274 ( -2.987 6.309 -1.363) 7.112 23.360 ( 4.304 0.993 5.094) 6.742 23.388 ( -0.960 0.420 -2.587) 2.791 23.520 ( -0.469 -4.368 -3.656) 5.715 23.668 ( 0.403 1.005 3.368) 3.538 23.898 ( -8.188 -9.520 3.233) 12.967 24.073 ( -6.122 4.599 3.037) 8.237 24.395 ( -2.681 -0.593 -6.769) 7.305 24.625 ( -6.588 -5.671 2.900) 9.164 25.567 ( 6.590 7.400 0.281) 9.913 25.761 ( 8.599 0.262 1.241) 8.692 25.934 ( 5.210 3.938 -4.926) 8.180 26.659 ( 5.442 -17.212 0.155) 18.053 27.052 ( 4.624 -2.311 6.267) 8.124 27.460 ( 6.323 1.282 2.460) 6.905 27.787 ( 4.237 15.693 0.078) 16.255 28.097 ( -3.588 -0.432 1.065) 3.767 28.153 ( -10.146 0.425 -2.793) 10.531 28.279 ( 8.383 -2.034 -1.617) 8.777 28.543 ( -2.441 0.176 3.850) 4.562 29.055 ( -20.632 3.779 4.002) 21.354 30.103 ( -3.410 -3.446 0.382) 4.863 30.170 ( 0.077 -0.691 2.335) 2.437 30.855 ( -6.863 5.358 -5.542) 10.320 30.999 ( -4.621 2.209 -10.060) 11.289 31.673 ( -0.235 -1.494 -0.742) 1.685 31.738 ( -4.272 -1.224 0.466) 4.468 32.115 ( 0.204 3.845 1.126) 4.012 32.244 ( -1.599 -1.741 5.740) 6.208 32.935 ( 15.178 1.038 2.479) 15.414 33.136 ( -3.871 -2.106 3.951) 5.919 33.429 ( 10.194 7.393 -1.508) 12.683 33.785 ( 0.684 -8.592 -0.822) 8.659 33.842 ( 9.180 -0.541 0.880) 9.238 33.869 ( 1.454 -1.333 1.135) 2.276 34.574 ( 9.055 0.334 -4.560) 10.144 34.607 ( 8.169 -1.474 -1.563) 8.446 34.820 ( -16.682 12.560 -5.426) 21.575 35.354 ( -0.801 3.473 -7.148) 7.987 35.903 ( 3.913 -16.384 6.982) 18.235 37.427 ( -0.029 -0.629 16.166) 16.179 38.177 ( 8.199 0.013 -13.218) 15.555 38.464 ( -4.830 -2.199 0.080) 5.308 38.754 ( 8.436 4.188 4.108) 10.275 39.128 ( -4.858 2.161 0.603) 5.351 39.977 ( 5.109 -6.863 1.537) 8.693 40.277 ( 3.567 1.871 -3.163) 5.121 41.617 ( 5.027 0.243 -0.270) 5.040 ======================= Grid point 36 (32/50) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 20.049 0.000 0.000) 20.049 1.680 ( 20.075 0.000 0.000) 20.075 1.794 ( 12.792 0.000 0.000) 12.792 2.149 ( 8.916 0.000 0.000) 8.916 2.169 ( -1.641 -0.000 -0.000) 1.641 2.189 ( -1.352 -0.000 -0.000) 1.352 2.310 ( 0.975 0.000 0.000) 0.975 2.318 ( 16.251 0.000 0.000) 16.251 2.400 ( 6.360 0.000 0.000) 6.360 2.494 ( -2.336 -0.000 -0.000) 2.336 2.593 ( -2.188 -0.000 -0.000) 2.188 2.754 ( 2.566 0.000 0.000) 2.566 2.829 ( 4.454 0.000 0.000) 4.454 2.924 ( 3.860 0.000 0.000) 3.860 2.945 ( -0.154 -0.000 -0.000) 0.154 2.980 ( 3.169 0.000 0.000) 3.169 3.153 ( -3.186 -0.000 -0.000) 3.186 3.174 ( -0.857 -0.000 -0.000) 0.857 3.910 ( -12.668 -0.000 -0.000) 12.668 4.691 ( 14.346 0.000 0.000) 14.346 4.699 ( 8.306 0.000 0.000) 8.306 5.282 ( -5.159 -0.000 -0.000) 5.159 5.631 ( 7.661 0.000 0.000) 7.661 5.919 ( 5.094 0.000 0.000) 5.094 5.959 ( -6.613 -0.000 -0.000) 6.613 6.014 ( 7.520 0.000 0.000) 7.520 6.237 ( -0.629 -0.000 -0.000) 0.629 6.244 ( 3.735 0.000 0.000) 3.735 6.370 ( -3.228 -0.000 -0.000) 3.228 6.485 ( 8.013 0.000 0.000) 8.013 6.810 ( -8.007 -0.000 -0.000) 8.007 6.889 ( 1.148 0.000 0.000) 1.148 6.944 ( -0.712 -0.000 -0.000) 0.712 7.301 ( 19.382 0.000 0.000) 19.382 7.387 ( -8.709 -0.000 -0.000) 8.709 7.392 ( -6.474 -0.000 -0.000) 6.474 7.506 ( -6.420 -0.000 -0.000) 6.420 7.699 ( 4.276 0.000 0.000) 4.276 11.189 ( -14.102 -0.000 -0.000) 14.102 11.476 ( 1.538 0.000 0.000) 1.538 12.783 ( 3.015 0.000 0.000) 3.015 14.022 ( 10.614 0.000 0.000) 10.614 14.127 ( 21.015 0.000 0.000) 21.015 14.722 ( 0.175 0.000 0.000) 0.175 15.166 ( 24.723 0.000 0.000) 24.723 15.312 ( -27.581 -0.000 -0.000) 27.581 15.709 ( 5.641 0.000 0.000) 5.641 16.589 ( -8.391 -0.000 -0.000) 8.391 17.382 ( 7.919 0.000 0.000) 7.919 17.557 ( -11.040 -0.000 -0.000) 11.040 17.790 ( -21.844 -0.000 -0.000) 21.844 17.925 ( 7.127 0.000 0.000) 7.127 18.610 ( -3.534 -0.000 -0.000) 3.534 18.902 ( 26.739 0.000 0.000) 26.739 18.978 ( 0.310 0.000 0.000) 0.310 19.747 ( -0.802 -0.000 -0.000) 0.802 19.966 ( -10.698 -0.000 -0.000) 10.698 20.193 ( -0.377 -0.000 -0.000) 0.377 20.253 ( -9.604 -0.000 -0.000) 9.604 20.618 ( 0.194 0.000 0.000) 0.194 20.623 ( -11.159 -0.000 -0.000) 11.159 20.781 ( 0.503 0.000 0.000) 0.503 21.072 ( 15.630 0.000 0.000) 15.630 21.183 ( -4.626 -0.000 -0.000) 4.626 21.841 ( 18.703 0.000 0.000) 18.703 22.028 ( -3.507 -0.000 -0.000) 3.507 22.426 ( -2.185 -0.000 -0.000) 2.185 22.818 ( -4.117 -0.000 -0.000) 4.117 23.170 ( -16.319 -0.000 -0.000) 16.319 23.360 ( 1.608 0.000 0.000) 1.608 23.446 ( 1.683 0.000 0.000) 1.683 23.454 ( 1.733 0.000 0.000) 1.733 23.580 ( 5.116 0.000 0.000) 5.116 23.678 ( 9.982 0.000 0.000) 9.982 23.703 ( -1.320 -0.000 -0.000) 1.320 24.645 ( 9.698 0.000 0.000) 9.698 24.731 ( -0.086 -0.000 -0.000) 0.086 24.811 ( 16.152 0.000 0.000) 16.152 25.155 ( -8.165 -0.000 -0.000) 8.165 25.405 ( 4.327 0.000 0.000) 4.327 25.845 ( -22.040 -0.000 -0.000) 22.040 26.508 ( -21.870 -0.000 -0.000) 21.870 26.687 ( -14.740 -0.000 -0.000) 14.740 26.699 ( 3.028 0.000 0.000) 3.028 27.250 ( -17.261 -0.000 -0.000) 17.261 28.140 ( 0.615 0.000 0.000) 0.615 28.255 ( -2.389 -0.000 -0.000) 2.389 28.573 ( 4.038 0.000 0.000) 4.038 29.681 ( 41.971 0.000 0.000) 41.971 30.072 ( -3.167 -0.000 -0.000) 3.167 30.103 ( -2.543 -0.000 -0.000) 2.543 30.145 ( 7.808 0.000 0.000) 7.808 31.046 ( 12.880 0.000 0.000) 12.880 31.149 ( 15.132 0.000 0.000) 15.132 31.436 ( -4.682 -0.000 -0.000) 4.682 31.909 ( -0.084 -0.000 -0.000) 0.084 32.388 ( 14.884 0.000 0.000) 14.884 32.434 ( 5.177 0.000 0.000) 5.177 32.477 ( -21.217 -0.000 -0.000) 21.217 32.616 ( -28.708 -0.000 -0.000) 28.708 33.390 ( -4.114 -0.000 -0.000) 4.114 33.393 ( -5.240 -0.000 -0.000) 5.240 33.696 ( -4.544 -0.000 -0.000) 4.544 33.814 ( 4.302 0.000 0.000) 4.302 33.853 ( -18.765 -0.000 -0.000) 18.765 34.193 ( -8.526 -0.000 -0.000) 8.526 35.325 ( -2.524 -0.000 -0.000) 2.524 35.435 ( -2.439 -0.000 -0.000) 2.439 36.262 ( 8.712 0.000 0.000) 8.712 36.677 ( 12.412 0.000 0.000) 12.412 38.334 ( -1.633 -0.000 -0.000) 1.633 38.363 ( -15.884 -0.000 -0.000) 15.884 38.705 ( 8.445 0.000 0.000) 8.445 39.422 ( 2.823 0.000 0.000) 2.823 39.520 ( -9.366 -0.000 -0.000) 9.366 40.144 ( -1.553 -0.000 -0.000) 1.553 41.350 ( -6.462 -0.000 -0.000) 6.462 ======================= Grid point 37 (33/50) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -13.155 0.000 -5.834) 14.391 1.876 ( -9.321 0.000 -5.646) 10.898 1.980 ( -5.736 0.000 -4.082) 7.040 2.023 ( -5.326 -0.000 1.249) 5.470 2.155 ( 2.196 -0.000 0.932) 2.386 2.251 ( -1.662 0.000 -0.955) 1.917 2.292 ( -5.023 -0.000 0.602) 5.059 2.309 ( -4.501 -0.000 2.719) 5.259 2.460 ( -1.645 0.000 -2.882) 3.318 2.642 ( -5.480 -0.000 1.587) 5.705 2.667 ( 2.741 0.000 -1.748) 3.251 2.771 ( -1.154 0.000 -1.474) 1.872 2.840 ( -5.004 -0.000 2.552) 5.617 2.867 ( -3.505 0.000 -2.982) 4.602 2.918 ( -0.080 0.000 -0.621) 0.627 2.959 ( -4.598 -0.000 1.377) 4.800 3.071 ( -1.833 0.000 -3.207) 3.694 3.192 ( 1.379 0.000 0.098) 1.382 3.773 ( 9.513 -0.000 7.699) 12.237 4.676 ( -9.200 -0.000 0.791) 9.234 4.694 ( -13.240 0.000 -1.434) 13.318 5.266 ( 4.477 0.000 0.228) 4.483 5.630 ( -7.401 -0.000 0.300) 7.407 5.754 ( 0.224 -0.000 1.936) 1.949 6.037 ( -3.051 0.000 -1.451) 3.378 6.147 ( -3.136 0.000 -3.917) 5.018 6.221 ( 2.619 -0.000 0.279) 2.633 6.225 ( -0.945 0.000 -1.754) 1.993 6.407 ( -15.646 -0.000 1.138) 15.687 6.684 ( 2.380 0.000 -3.541) 4.267 6.735 ( 1.585 -0.000 2.501) 2.961 6.934 ( 1.585 -0.000 0.327) 1.619 6.959 ( 7.947 -0.000 4.611) 9.188 7.087 ( 5.382 -0.000 4.216) 6.837 7.237 ( -1.585 0.000 -1.675) 2.306 7.368 ( -9.487 -0.000 -0.309) 9.492 7.584 ( 5.328 0.000 -1.523) 5.541 7.711 ( -4.152 -0.000 -0.343) 4.166 11.186 ( 14.157 0.000 0.043) 14.157 11.868 ( 9.312 0.000 -3.082) 9.809 12.724 ( -4.987 -0.000 1.202) 5.130 13.729 ( -25.366 -0.000 10.620) 27.500 13.984 ( -7.236 0.000 -13.093) 14.959 14.908 ( 3.203 -0.000 2.247) 3.912 15.213 ( -23.604 0.000 -3.250) 23.827 15.612 ( 27.849 0.000 -7.552) 28.855 15.866 ( -1.743 -0.000 1.678) 2.419 16.476 ( 0.341 -0.000 3.814) 3.829 17.204 ( 3.324 0.000 -5.199) 6.171 17.554 ( 2.941 -0.000 1.313) 3.221 17.626 ( 7.633 -0.000 6.992) 10.352 17.964 ( -1.501 -0.000 1.671) 2.246 18.064 ( -21.800 -0.000 14.071) 25.946 18.977 ( -6.994 0.000 -10.650) 12.741 19.373 ( 7.956 0.000 -12.587) 14.890 19.611 ( -15.377 0.000 -1.395) 15.440 19.926 ( -0.796 0.000 -3.429) 3.520 20.082 ( -0.919 -0.000 2.493) 2.657 20.154 ( 14.429 -0.000 2.249) 14.603 20.361 ( 1.945 -0.000 8.698) 8.913 20.606 ( 5.996 -0.000 5.677) 8.257 20.882 ( -0.125 0.000 -4.983) 4.985 20.996 ( -1.427 -0.000 6.591) 6.744 22.073 ( -8.184 0.000 -2.668) 8.607 22.098 ( 5.882 0.000 -0.768) 5.931 22.227 ( 2.770 -0.000 2.756) 3.908 22.566 ( 13.597 0.000 -17.039) 21.799 22.650 ( 2.801 0.000 -3.370) 4.382 22.981 ( 12.167 -0.000 8.900) 15.075 23.073 ( -0.751 0.000 -2.317) 2.436 23.336 ( 1.840 0.000 -4.506) 4.867 23.590 ( 1.416 -0.000 1.333) 1.945 23.745 ( -2.102 -0.000 2.693) 3.416 23.788 ( -5.960 0.000 -10.637) 12.193 23.996 ( -6.159 0.000 -4.616) 7.697 24.334 ( -10.749 -0.000 5.776) 12.203 24.889 ( -15.389 0.000 -4.111) 15.929 24.968 ( -7.536 -0.000 -0.017) 7.536 25.258 ( 6.292 0.000 -1.401) 6.447 25.454 ( 8.043 0.000 -0.594) 8.065 25.518 ( 12.792 -0.000 7.345) 14.750 26.085 ( 14.497 -0.000 8.151) 16.632 26.825 ( 2.890 -0.000 0.587) 2.949 26.876 ( 23.230 0.000 -7.457) 24.397 27.260 ( 14.052 -0.000 4.560) 14.774 28.114 ( -1.987 -0.000 0.796) 2.140 28.169 ( 0.251 -0.000 0.941) 0.974 28.466 ( -5.865 -0.000 2.496) 6.374 29.705 ( -36.571 -0.000 -2.470) 36.655 29.953 ( -21.838 -0.000 7.030) 22.941 30.003 ( 2.725 -0.000 0.529) 2.776 30.073 ( 0.732 -0.000 3.087) 3.173 31.225 ( -3.044 0.000 -5.521) 6.305 31.449 ( -10.249 0.000 -11.626) 15.499 31.524 ( -3.403 0.000 -8.985) 9.607 31.956 ( 6.041 -0.000 1.303) 6.180 32.188 ( 21.752 -0.000 3.854) 22.091 32.292 ( -15.945 -0.000 4.695) 16.622 32.416 ( -5.555 -0.000 0.536) 5.581 32.700 ( 29.536 0.000 1.212) 29.561 33.244 ( -0.475 -0.000 4.889) 4.912 33.576 ( 0.007 -0.000 14.758) 14.758 33.676 ( 6.108 0.000 -0.055) 6.109 33.789 ( -2.848 0.000 -2.237) 3.622 33.852 ( 17.990 0.000 0.969) 18.016 34.306 ( 9.934 0.000 0.781) 9.965 34.918 ( 3.719 0.000 -25.014) 25.289 35.325 ( 2.503 0.000 -0.029) 2.503 36.331 ( -19.611 -0.000 13.318) 23.706 37.496 ( -2.127 -0.000 15.145) 15.294 37.716 ( 14.250 0.000 -21.670) 25.936 38.457 ( 6.355 -0.000 4.491) 7.781 38.704 ( -8.395 -0.000 0.041) 8.396 39.426 ( -5.256 -0.000 0.420) 5.272 39.535 ( 10.026 0.000 -0.391) 10.034 40.142 ( 3.497 0.000 -0.089) 3.499 41.355 ( 6.457 0.000 -0.239) 6.462 ======================= Grid point 38 (34/50) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 -0.000 -25.756) 25.756 0.749 ( -0.000 -0.000 -31.463) 31.463 0.865 ( -0.000 -0.000 -36.371) 36.371 1.297 ( -0.000 -0.000 -18.553) 18.553 2.055 ( 0.000 0.000 3.811) 3.811 2.071 ( 0.000 0.000 6.120) 6.120 2.164 ( -0.000 -0.000 -0.776) 0.776 2.280 ( 0.000 0.000 1.571) 1.571 2.297 ( -0.000 -0.000 -5.438) 5.438 2.339 ( 0.000 0.000 5.778) 5.778 2.567 ( 0.000 0.000 0.569) 0.569 2.665 ( -0.000 -0.000 -3.564) 3.564 2.667 ( 0.000 0.000 1.124) 1.124 2.857 ( -0.000 -0.000 -4.110) 4.110 2.889 ( 0.000 0.000 1.664) 1.664 2.955 ( 0.000 0.000 1.342) 1.342 3.192 ( 0.000 0.000 8.792) 8.792 3.246 ( -0.000 -0.000 -1.295) 1.295 3.660 ( -0.000 -0.000 -0.279) 0.279 4.339 ( 0.000 0.000 1.740) 1.740 4.729 ( 0.000 0.000 3.472) 3.472 5.037 ( 0.000 0.000 0.014) 0.014 5.531 ( 0.000 0.000 0.043) 0.043 5.713 ( -0.000 -0.000 -0.621) 0.621 5.719 ( 0.000 0.000 2.075) 2.075 6.123 ( 0.000 0.000 5.656) 5.656 6.129 ( 0.000 0.000 1.934) 1.934 6.253 ( -0.000 -0.000 -3.923) 3.923 6.294 ( 0.000 0.000 1.550) 1.550 6.558 ( -0.000 -0.000 -8.287) 8.287 6.576 ( 0.000 0.000 2.927) 2.927 6.894 ( 0.000 0.000 1.153) 1.153 7.015 ( -0.000 -0.000 -1.043) 1.043 7.279 ( -0.000 -0.000 -11.177) 11.177 7.451 ( 0.000 0.000 0.056) 0.056 7.585 ( 0.000 0.000 9.690) 9.690 7.625 ( -0.000 -0.000 -1.888) 1.888 7.648 ( 0.000 0.000 8.014) 8.014 11.742 ( -0.000 -0.000 -0.088) 0.088 11.896 ( -0.000 -0.000 -27.036) 27.036 12.569 ( 0.000 0.000 4.175) 4.175 13.189 ( 0.000 0.000 15.720) 15.720 13.544 ( 0.000 0.000 6.076) 6.076 14.044 ( -0.000 -0.000 -1.824) 1.824 14.944 ( -0.000 -0.000 -11.912) 11.912 15.153 ( -0.000 -0.000 -6.352) 6.352 15.622 ( -0.000 -0.000 -11.775) 11.775 16.912 ( 0.000 0.000 8.749) 8.749 17.257 ( 0.000 0.000 1.376) 1.376 17.482 ( 0.000 0.000 0.392) 0.392 17.549 ( -0.000 -0.000 -3.794) 3.794 17.776 ( -0.000 -0.000 -0.354) 0.354 18.300 ( -0.000 -0.000 -8.999) 8.999 18.762 ( 0.000 0.000 5.924) 5.924 18.911 ( 0.000 0.000 9.338) 9.338 19.383 ( -0.000 -0.000 -6.729) 6.729 19.876 ( 0.000 0.000 1.788) 1.788 19.987 ( 0.000 0.000 3.296) 3.296 20.357 ( -0.000 -0.000 -9.663) 9.663 20.661 ( 0.000 0.000 4.039) 4.039 20.827 ( -0.000 -0.000 -7.013) 7.013 20.978 ( 0.000 0.000 2.437) 2.437 21.169 ( 0.000 0.000 4.980) 4.980 21.315 ( -0.000 -0.000 -4.709) 4.709 22.549 ( 0.000 0.000 3.678) 3.678 22.804 ( 0.000 0.000 4.897) 4.897 22.852 ( -0.000 -0.000 -4.216) 4.216 23.003 ( -0.000 -0.000 -5.419) 5.419 23.193 ( -0.000 -0.000 -5.941) 5.941 23.277 ( -0.000 -0.000 -1.796) 1.796 23.354 ( -0.000 -0.000 -0.453) 0.453 23.372 ( -0.000 -0.000 -1.110) 1.110 23.556 ( 0.000 0.000 3.419) 3.419 23.640 ( 0.000 0.000 7.143) 7.143 23.774 ( 0.000 0.000 2.817) 2.817 24.161 ( -0.000 -0.000 -2.451) 2.451 24.350 ( 0.000 0.000 3.551) 3.551 24.612 ( 0.000 0.000 0.272) 0.272 25.662 ( -0.000 -0.000 -12.236) 12.236 25.871 ( 0.000 0.000 0.631) 0.631 25.874 ( 0.000 0.000 0.780) 0.780 26.321 ( -0.000 -0.000 -3.003) 3.003 27.278 ( 0.000 0.000 6.203) 6.203 27.527 ( -0.000 -0.000 -0.338) 0.338 27.863 ( 0.000 0.000 0.261) 0.261 28.089 ( 0.000 0.000 2.576) 2.576 28.247 ( 0.000 0.000 0.338) 0.338 28.324 ( 0.000 0.000 5.365) 5.365 28.712 ( -0.000 -0.000 -0.883) 0.883 28.978 ( 0.000 0.000 5.491) 5.491 30.054 ( 0.000 0.000 0.578) 0.578 30.189 ( -0.000 -0.000 -0.040) 0.040 30.687 ( -0.000 -0.000 -8.936) 8.936 30.727 ( -0.000 -0.000 -4.197) 4.197 31.708 ( 0.000 0.000 3.202) 3.202 31.719 ( 0.000 0.000 1.867) 1.867 32.174 ( 0.000 0.000 0.339) 0.339 32.443 ( 0.000 0.000 2.293) 2.293 32.977 ( 0.000 0.000 0.289) 0.289 33.105 ( 0.000 0.000 1.101) 1.101 33.548 ( -0.000 -0.000 -2.589) 2.589 33.850 ( -0.000 -0.000 -0.832) 0.832 33.857 ( 0.000 0.000 0.378) 0.378 33.948 ( 0.000 0.000 0.286) 0.286 34.284 ( -0.000 -0.000 -14.422) 14.422 34.684 ( -0.000 -0.000 -1.818) 1.818 34.772 ( 0.000 0.000 0.711) 0.711 35.444 ( 0.000 0.000 0.002) 0.002 35.955 ( 0.000 0.000 24.992) 24.992 37.281 ( -0.000 -0.000 -22.514) 22.514 38.387 ( -0.000 -0.000 -0.083) 0.083 38.390 ( 0.000 0.000 14.394) 14.394 39.005 ( 0.000 0.000 2.066) 2.066 39.075 ( -0.000 -0.000 -0.211) 0.211 39.902 ( -0.000 -0.000 -1.625) 1.625 40.244 ( -0.000 -0.000 -3.863) 3.863 41.663 ( -0.000 -0.000 -0.339) 0.339 ======================= Grid point 43 (35/50) ======================= q-point: ( 0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -12.919 17.970 -0.000) 22.132 1.256 ( -8.985 4.794 -0.000) 10.183 1.398 ( -15.739 19.873 -0.000) 25.351 1.806 ( -7.655 17.187 -0.000) 18.815 1.967 ( -5.437 -7.280 0.000) 9.086 2.019 ( -1.325 5.325 -0.000) 5.487 2.140 ( -0.451 -2.090 0.000) 2.138 2.300 ( -1.429 -0.389 0.000) 1.481 2.392 ( -5.573 -5.968 0.000) 8.165 2.560 ( -1.713 3.531 -0.000) 3.925 2.563 ( -0.824 6.784 -0.000) 6.834 2.602 ( -2.959 -1.853 0.000) 3.491 2.665 ( -1.318 -0.365 0.000) 1.368 2.781 ( -2.472 0.612 -0.000) 2.547 2.804 ( 1.487 -7.975 0.000) 8.112 3.049 ( 0.195 -0.820 0.000) 0.843 3.165 ( 1.416 -3.508 0.000) 3.783 3.222 ( 0.697 0.056 0.000) 0.699 3.873 ( -18.313 0.153 -0.000) 18.314 4.364 ( 16.504 -5.055 0.000) 17.261 4.662 ( -0.142 -3.633 0.000) 3.636 5.176 ( -5.146 -0.776 -0.000) 5.204 5.203 ( -12.493 -0.465 -0.000) 12.502 5.416 ( -4.610 -1.268 0.000) 4.781 5.815 ( -2.781 1.538 -0.000) 3.178 5.952 ( -0.962 5.998 -0.000) 6.075 6.249 ( 3.084 1.544 -0.000) 3.448 6.362 ( -0.571 -3.335 0.000) 3.384 6.438 ( 1.401 -1.957 0.000) 2.407 6.685 ( -5.065 4.252 -0.000) 6.613 6.750 ( -4.067 -6.040 0.000) 7.281 6.987 ( 1.022 0.195 0.000) 1.040 6.999 ( -2.123 2.805 -0.000) 3.518 7.141 ( 4.455 3.116 -0.000) 5.436 7.143 ( 2.108 6.969 -0.000) 7.281 7.468 ( 6.087 -12.325 0.000) 13.746 7.582 ( 3.514 -1.262 0.000) 3.733 7.894 ( -2.265 0.376 -0.000) 2.296 11.658 ( 8.297 0.007 0.000) 8.297 12.029 ( 8.302 16.938 -0.000) 18.863 12.527 ( -5.989 -3.412 0.000) 6.893 13.047 ( -11.035 -12.413 0.000) 16.609 13.922 ( -2.947 5.711 -0.000) 6.426 14.368 ( -21.548 0.925 -0.000) 21.568 15.025 ( 0.409 6.157 -0.000) 6.170 15.501 ( -17.788 4.317 -0.000) 18.304 16.146 ( -2.166 -11.459 0.000) 11.662 16.683 ( 30.113 8.573 -0.000) 31.309 16.980 ( -16.513 -8.106 0.000) 18.395 17.449 ( -3.567 1.224 -0.000) 3.771 17.497 ( -0.905 -1.307 0.000) 1.590 18.182 ( -5.736 9.451 -0.000) 11.055 18.311 ( 5.241 -20.185 0.000) 20.854 18.779 ( -5.339 -3.835 0.000) 6.574 18.987 ( 9.212 2.005 0.000) 9.427 19.801 ( 0.252 -4.741 0.000) 4.747 19.973 ( -9.677 -5.279 0.000) 11.024 20.025 ( 5.507 -2.703 0.000) 6.135 20.275 ( -2.020 -8.692 0.000) 8.924 20.357 ( -6.986 12.119 -0.000) 13.988 20.866 ( 7.974 0.970 0.000) 8.033 20.978 ( 0.432 -8.852 0.000) 8.862 21.308 ( 19.797 -3.440 0.000) 20.094 21.471 ( -8.024 12.513 -0.000) 14.865 22.254 ( 0.381 22.843 -0.000) 22.847 22.341 ( 15.655 2.799 0.000) 15.904 22.898 ( 3.932 5.107 -0.000) 6.446 22.915 ( 5.918 -2.530 0.000) 6.436 23.052 ( -5.110 5.265 -0.000) 7.337 23.205 ( 4.256 -0.045 0.000) 4.256 23.317 ( 5.805 -2.638 0.000) 6.376 23.440 ( -0.749 1.934 -0.000) 2.074 23.444 ( -4.408 2.101 -0.000) 4.883 23.751 ( 0.143 -4.308 0.000) 4.311 23.955 ( -7.216 -6.425 0.000) 9.662 24.071 ( -17.766 -3.485 -0.000) 18.105 24.463 ( 9.353 9.976 -0.000) 13.675 24.635 ( -13.955 -2.891 -0.000) 14.252 25.451 ( 9.394 3.697 -0.000) 10.096 25.725 ( 10.242 -1.118 0.000) 10.303 25.932 ( -1.034 1.184 -0.000) 1.572 26.972 ( 1.867 4.031 -0.000) 4.443 27.003 ( 10.557 -13.985 0.000) 17.522 27.379 ( 10.336 2.225 0.000) 10.572 27.546 ( -0.500 4.340 -0.000) 4.369 28.093 ( -15.674 -0.260 -0.000) 15.676 28.188 ( 1.116 2.111 -0.000) 2.387 28.329 ( 11.480 0.578 0.000) 11.495 28.455 ( -9.370 -1.239 -0.000) 9.451 29.014 ( -21.469 -2.109 -0.000) 21.572 30.131 ( -0.269 1.076 -0.000) 1.109 30.204 ( -8.368 -5.755 0.000) 10.156 30.770 ( -7.794 5.967 -0.000) 9.816 31.037 ( 0.444 6.903 -0.000) 6.917 31.712 ( -8.465 -2.530 0.000) 8.835 31.773 ( 5.949 2.223 -0.000) 6.351 32.033 ( 0.690 1.071 -0.000) 1.274 32.150 ( -9.201 0.041 -0.000) 9.201 32.960 ( 18.102 -5.055 0.000) 18.794 33.103 ( 1.569 -0.729 0.000) 1.730 33.387 ( 3.558 -1.594 0.000) 3.899 33.756 ( 4.596 3.350 -0.000) 5.687 33.855 ( 7.389 -0.076 0.000) 7.389 34.007 ( 3.400 -0.727 0.000) 3.477 34.569 ( 2.831 1.334 -0.000) 3.130 34.605 ( 9.254 1.518 0.000) 9.378 34.711 ( -22.753 -0.700 -0.000) 22.764 35.567 ( 3.526 2.161 -0.000) 4.136 36.080 ( 6.523 -11.383 0.000) 13.119 37.033 ( 5.870 9.023 -0.000) 10.764 38.419 ( 1.837 0.429 -0.000) 1.886 38.472 ( -2.812 -0.513 -0.000) 2.858 38.688 ( 10.211 -3.911 0.000) 10.934 39.104 ( -3.400 -0.305 -0.000) 3.413 40.066 ( 3.836 -4.491 0.000) 5.907 40.264 ( 5.975 3.784 -0.000) 7.072 41.613 ( 4.964 0.280 0.000) 4.971 ======================= Grid point 45 (36/50) ======================= q-point: ( 0.54 -0.54 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -10.763 3.155 -0.000) 11.215 1.886 ( -6.283 2.760 -0.000) 6.863 2.065 ( -1.536 -2.724 0.000) 3.127 2.090 ( -3.139 4.514 -0.000) 5.498 2.144 ( -6.837 -4.068 0.000) 7.956 2.171 ( -1.144 4.684 -0.000) 4.822 2.253 ( -8.415 -1.099 -0.000) 8.486 2.435 ( -0.896 2.035 -0.000) 2.224 2.437 ( -0.785 -9.547 0.000) 9.579 2.607 ( 0.293 1.596 -0.000) 1.623 2.663 ( 1.948 2.288 -0.000) 3.005 2.757 ( -2.943 0.305 -0.000) 2.959 2.796 ( -3.010 4.694 -0.000) 5.576 2.875 ( -7.567 1.133 -0.000) 7.652 2.927 ( -4.317 -0.365 -0.000) 4.332 3.058 ( -1.204 -6.288 0.000) 6.402 3.111 ( -1.385 1.819 -0.000) 2.286 3.186 ( 1.092 0.128 0.000) 1.099 3.686 ( 8.887 -3.143 0.000) 9.426 4.648 ( -12.456 0.872 -0.000) 12.487 4.736 ( -8.699 -1.319 -0.000) 8.798 5.308 ( 0.894 -3.384 0.000) 3.500 5.623 ( -7.654 0.366 -0.000) 7.663 5.670 ( -2.110 4.368 -0.000) 4.851 6.039 ( -5.871 1.546 -0.000) 6.072 6.133 ( -2.866 3.499 -0.000) 4.523 6.234 ( 0.690 1.941 -0.000) 2.060 6.290 ( 2.239 -3.197 0.000) 3.903 6.486 ( -15.153 -8.309 0.000) 17.282 6.689 ( 8.492 0.967 0.000) 8.547 6.714 ( 3.495 0.670 0.000) 3.558 6.849 ( 11.356 0.314 0.000) 11.360 6.938 ( 0.970 -0.037 0.000) 0.971 7.070 ( 0.800 -0.739 0.000) 1.089 7.294 ( -14.749 -2.344 -0.000) 14.934 7.375 ( 5.073 -0.074 0.000) 5.074 7.441 ( -3.636 8.884 -0.000) 9.599 7.841 ( 1.768 -5.758 0.000) 6.024 11.169 ( 14.297 1.216 0.000) 14.349 11.841 ( 10.348 3.682 -0.000) 10.983 12.753 ( -6.378 -3.287 0.000) 7.175 13.629 ( -25.621 -3.336 -0.000) 25.838 14.210 ( -5.217 1.220 -0.000) 5.358 14.956 ( 2.084 -8.965 0.000) 9.204 15.339 ( -18.563 -3.798 -0.000) 18.948 15.681 ( 21.404 2.319 0.000) 21.529 15.819 ( -2.108 -2.030 0.000) 2.926 16.356 ( -2.898 4.477 -0.000) 5.334 17.432 ( 3.948 8.411 -0.000) 9.291 17.454 ( -11.685 -6.944 0.000) 13.593 17.510 ( 24.595 -2.840 0.000) 24.758 17.748 ( -7.761 7.839 -0.000) 11.031 17.977 ( -6.424 -1.214 -0.000) 6.537 19.147 ( -13.610 1.663 -0.000) 13.711 19.480 ( -10.543 8.602 -0.000) 13.608 19.612 ( 12.670 -3.569 0.000) 13.163 19.829 ( 3.886 4.746 -0.000) 6.134 20.182 ( -3.202 -4.631 0.000) 5.630 20.188 ( -4.825 -3.405 0.000) 5.905 20.360 ( 3.580 -12.304 0.000) 12.814 20.597 ( 12.335 -4.662 0.000) 13.187 20.861 ( -0.208 5.803 -0.000) 5.807 20.892 ( -0.602 1.587 -0.000) 1.698 21.857 ( 10.906 13.124 -0.000) 17.064 22.137 ( -14.179 1.687 -0.000) 14.280 22.338 ( 10.626 -12.874 0.000) 16.693 22.576 ( 1.882 10.452 -0.000) 10.620 22.802 ( 12.477 -2.198 0.000) 12.670 22.893 ( 5.364 -0.954 0.000) 5.448 23.180 ( -4.571 -3.228 0.000) 5.596 23.428 ( 0.120 6.725 -0.000) 6.727 23.499 ( 4.224 8.638 -0.000) 9.615 23.526 ( -0.841 -0.045 -0.000) 0.842 23.954 ( -5.905 -2.185 0.000) 6.296 24.050 ( 5.485 7.120 -0.000) 8.987 24.260 ( -18.888 -4.653 0.000) 19.453 24.956 ( -8.221 0.364 -0.000) 8.229 25.059 ( -10.860 -6.853 0.000) 12.842 25.239 ( 7.605 2.078 -0.000) 7.884 25.315 ( 2.033 6.464 -0.000) 6.776 25.503 ( 14.024 -3.421 0.000) 14.435 26.130 ( 15.460 -10.556 0.000) 18.720 26.850 ( 3.173 -2.883 0.000) 4.287 27.009 ( 13.594 4.993 -0.000) 14.482 27.063 ( 21.730 2.362 0.000) 21.858 28.131 ( -3.325 -2.837 0.000) 4.371 28.174 ( 0.058 -0.997 0.000) 0.999 28.396 ( -5.399 3.817 -0.000) 6.612 29.670 ( -9.538 7.080 -0.000) 11.878 29.719 ( -35.586 3.907 -0.000) 35.800 30.072 ( -3.704 -4.033 0.000) 5.476 30.259 ( -8.117 -15.251 0.000) 17.276 31.227 ( -3.709 6.135 -0.000) 7.169 31.493 ( -9.740 9.186 -0.000) 13.389 31.707 ( -1.646 0.965 -0.000) 1.907 31.927 ( 4.425 -0.475 0.000) 4.450 32.042 ( 22.612 5.577 -0.000) 23.290 32.225 ( -15.095 -1.355 -0.000) 15.156 32.481 ( -6.847 -4.614 0.000) 8.256 32.646 ( 24.874 0.080 0.000) 24.874 33.280 ( 2.390 -4.172 0.000) 4.808 33.347 ( 4.921 -0.903 0.000) 5.003 33.678 ( 7.078 -0.022 0.000) 7.078 33.797 ( 4.711 -0.756 0.000) 4.771 33.919 ( 9.617 -4.740 0.000) 10.721 34.239 ( 10.248 4.083 -0.000) 11.032 35.425 ( 2.943 -0.018 0.000) 2.943 35.517 ( 4.009 -15.204 0.000) 15.724 35.929 ( -18.530 6.044 -0.000) 19.490 37.154 ( -0.582 11.628 -0.000) 11.642 38.029 ( 14.026 0.986 0.000) 14.061 38.340 ( 1.859 0.278 0.000) 1.880 38.762 ( -8.613 -4.384 0.000) 9.664 39.296 ( -1.970 6.118 -0.000) 6.427 39.692 ( 6.225 -8.356 0.000) 10.420 40.120 ( 4.179 2.042 -0.000) 4.651 41.355 ( 6.517 0.285 0.000) 6.523 ======================= Grid point 46 (37/50) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 2.578 -17.096) 17.290 1.419 ( 0.000 13.729 -7.471) 15.630 1.477 ( -0.000 -7.833 -20.019) 21.497 1.758 ( 0.000 13.515 7.156) 15.293 1.843 ( -0.000 -9.713 -17.686) 20.177 1.981 ( 0.000 0.634 1.577) 1.700 2.213 ( -0.000 -3.961 4.642) 6.103 2.260 ( -0.000 -2.692 1.587) 3.125 2.276 ( -0.000 -4.756 5.017) 6.913 2.488 ( -0.000 -5.217 -5.916) 7.888 2.520 ( -0.000 -2.054 2.885) 3.542 2.628 ( 0.000 1.743 0.995) 2.007 2.744 ( -0.000 -0.027 -2.299) 2.299 2.780 ( 0.000 3.787 4.019) 5.522 2.800 ( 0.000 8.769 3.340) 9.384 3.008 ( -0.000 -5.115 0.424) 5.132 3.040 ( 0.000 0.707 -3.021) 3.103 3.262 ( -0.000 -0.785 1.582) 1.766 3.672 ( -0.000 -0.490 -0.080) 0.496 4.409 ( -0.000 -9.208 1.374) 9.310 4.589 ( -0.000 -1.768 6.237) 6.483 5.036 ( 0.000 0.048 -0.015) 0.050 5.250 ( 0.000 12.073 -0.036) 12.073 5.605 ( 0.000 13.200 -0.414) 13.207 5.857 ( 0.000 5.244 2.051) 5.631 6.068 ( 0.000 5.440 -1.581) 5.665 6.140 ( -0.000 -24.534 -0.304) 24.536 6.229 ( 0.000 0.618 -3.739) 3.790 6.379 ( 0.000 3.943 1.091) 4.091 6.402 ( -0.000 -3.454 -0.025) 3.454 6.885 ( 0.000 1.002 -0.245) 1.031 7.000 ( 0.000 3.004 -0.051) 3.005 7.084 ( -0.000 -18.188 -6.424) 19.289 7.203 ( 0.000 15.266 -0.206) 15.267 7.321 ( 0.000 3.722 6.868) 7.812 7.436 ( 0.000 0.532 10.783) 10.796 7.519 ( -0.000 -1.192 -6.931) 7.033 7.803 ( -0.000 -6.162 -0.811) 6.215 11.742 ( 0.000 0.108 -0.070) 0.129 12.396 ( 0.000 4.604 -8.490) 9.658 12.425 ( 0.000 2.623 1.668) 3.108 12.879 ( -0.000 -5.924 12.582) 13.907 13.668 ( -0.000 -0.166 -16.603) 16.604 14.088 ( -0.000 -0.273 -1.988) 2.006 15.226 ( -0.000 -11.954 8.816) 14.854 15.319 ( 0.000 0.534 -4.595) 4.626 15.876 ( 0.000 0.725 -9.703) 9.730 16.715 ( -0.000 -1.512 5.498) 5.703 17.223 ( -0.000 -0.559 1.970) 2.048 17.456 ( -0.000 -0.771 0.924) 1.203 17.476 ( 0.000 14.165 -4.884) 14.983 17.870 ( -0.000 -9.673 -2.950) 10.113 18.511 ( 0.000 1.890 9.131) 9.324 18.666 ( -0.000 -1.535 2.199) 2.682 18.911 ( -0.000 -9.547 -4.797) 10.685 19.514 ( 0.000 4.410 -13.146) 13.866 19.828 ( -0.000 -2.000 3.977) 4.451 19.993 ( -0.000 -2.331 -1.281) 2.660 20.420 ( 0.000 0.513 14.823) 14.832 20.464 ( 0.000 7.660 -5.698) 9.547 20.826 ( 0.000 6.059 -7.373) 9.543 20.982 ( -0.000 -1.903 -1.612) 2.493 21.122 ( -0.000 -1.416 -1.817) 2.304 21.614 ( -0.000 -12.407 3.836) 12.986 22.545 ( 0.000 2.715 -4.596) 5.338 22.626 ( 0.000 15.104 -5.299) 16.006 22.936 ( -0.000 -0.013 -2.976) 2.976 23.027 ( 0.000 1.955 1.883) 2.714 23.050 ( 0.000 7.221 -2.576) 7.666 23.323 ( -0.000 -0.027 -1.703) 1.703 23.341 ( 0.000 0.004 -0.798) 0.798 23.434 ( 0.000 0.517 2.066) 2.129 23.534 ( -0.000 -3.647 -0.790) 3.732 23.674 ( 0.000 0.374 3.195) 3.217 23.785 ( -0.000 -10.038 6.137) 11.766 23.987 ( 0.000 7.176 7.460) 10.352 24.366 ( -0.000 -5.319 -0.672) 5.361 24.613 ( -0.000 -0.342 -0.035) 0.344 25.629 ( 0.000 5.936 -1.029) 6.025 25.848 ( 0.000 0.435 0.538) 0.692 25.977 ( 0.000 5.959 -9.534) 11.243 26.708 ( -0.000 -20.480 -1.895) 20.568 27.104 ( -0.000 -1.189 8.755) 8.835 27.539 ( 0.000 1.448 -0.961) 1.738 27.820 ( 0.000 14.405 2.063) 14.552 27.858 ( -0.000 -0.094 0.172) 0.196 28.187 ( -0.000 -1.151 3.186) 3.387 28.365 ( -0.000 -3.730 -1.954) 4.210 28.693 ( 0.000 7.106 5.054) 8.720 28.720 ( 0.000 1.035 -0.598) 1.195 30.060 ( -0.000 -1.825 0.536) 1.903 30.169 ( 0.000 1.839 -0.158) 1.846 30.786 ( 0.000 3.619 -2.830) 4.594 30.958 ( 0.000 1.580 -11.714) 11.820 31.614 ( -0.000 -0.181 2.625) 2.631 31.760 ( -0.000 -3.234 -2.006) 3.805 32.090 ( 0.000 4.815 0.201) 4.820 32.255 ( 0.000 0.399 10.154) 10.162 33.058 ( -0.000 -5.749 1.131) 5.859 33.100 ( -0.000 -0.429 -0.423) 0.603 33.630 ( 0.000 14.563 -0.942) 14.594 33.743 ( -0.000 -13.434 -1.760) 13.548 33.880 ( 0.000 1.358 1.102) 1.749 33.943 ( -0.000 -0.125 0.098) 0.159 34.582 ( 0.000 15.129 0.849) 15.153 34.632 ( -0.000 -2.000 -8.179) 8.420 34.719 ( 0.000 0.006 -0.594) 0.594 35.373 ( 0.000 3.164 -9.398) 9.916 35.952 ( -0.000 -19.401 8.055) 21.006 37.427 ( -0.000 -1.679 15.967) 16.055 38.265 ( 0.000 0.317 -10.058) 10.063 38.412 ( -0.000 -1.665 -0.057) 1.666 38.847 ( 0.000 4.124 3.648) 5.506 39.073 ( 0.000 0.599 -0.151) 0.618 40.028 ( -0.000 -6.276 1.563) 6.468 40.315 ( 0.000 1.354 -3.482) 3.736 41.668 ( 0.000 0.253 -0.224) 0.338 ======================= Grid point 48 (38/50) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -13.933 0.000 -10.311) 17.333 1.659 ( -11.810 0.000 -14.877) 18.995 1.846 ( -7.512 0.000 -7.716) 10.769 1.937 ( -4.969 -0.000 1.456) 5.178 2.120 ( -6.611 -0.000 3.310) 7.393 2.141 ( -10.070 0.000 -6.932) 12.225 2.205 ( -1.269 -0.000 0.189) 1.283 2.251 ( -2.590 -0.000 3.650) 4.476 2.405 ( -3.604 0.000 -1.859) 4.055 2.491 ( -7.305 0.000 -2.224) 7.636 2.665 ( -7.536 -0.000 4.514) 8.785 2.709 ( 1.615 0.000 -2.121) 2.666 2.750 ( -3.541 -0.000 1.119) 3.713 2.859 ( -1.066 -0.000 3.616) 3.770 2.892 ( -0.928 -0.000 0.628) 1.121 2.918 ( 0.079 0.000 -2.268) 2.269 3.049 ( -0.374 0.000 -3.024) 3.047 3.220 ( 1.382 -0.000 0.571) 1.496 4.022 ( 14.907 -0.000 7.676) 16.767 4.340 ( -21.742 -0.000 -0.521) 21.749 4.493 ( -8.993 -0.000 1.186) 9.071 5.368 ( 5.870 -0.000 0.519) 5.893 5.448 ( -11.136 -0.000 0.761) 11.162 5.755 ( -0.518 -0.000 0.013) 0.518 5.984 ( -1.903 -0.000 3.154) 3.684 6.041 ( -11.653 -0.000 -0.449) 11.661 6.123 ( -2.363 0.000 -1.279) 2.687 6.270 ( 2.183 0.000 -0.867) 2.349 6.283 ( 0.356 0.000 -2.118) 2.147 6.719 ( 1.561 0.000 -6.960) 7.133 6.741 ( -4.374 -0.000 0.997) 4.486 6.898 ( -6.113 0.000 -1.493) 6.293 6.988 ( 0.672 -0.000 0.891) 1.115 7.215 ( 6.917 -0.000 7.074) 9.894 7.233 ( 7.221 -0.000 10.412) 12.671 7.388 ( 4.527 0.000 -7.169) 8.478 7.611 ( -5.825 -0.000 -0.339) 5.835 7.659 ( 2.165 0.000 -1.231) 2.491 11.462 ( 13.239 0.000 0.008) 13.239 12.080 ( 12.190 0.000 -8.059) 14.614 12.616 ( -5.803 -0.000 2.557) 6.341 13.271 ( -21.282 -0.000 12.812) 24.841 13.831 ( -7.783 0.000 -16.196) 17.969 14.727 ( -25.360 0.000 -2.535) 25.486 14.973 ( 3.271 -0.000 1.806) 3.736 15.841 ( -0.277 0.000 -0.575) 0.638 16.074 ( 8.300 0.000 -6.795) 10.727 16.449 ( 5.084 -0.000 8.658) 10.040 17.074 ( -12.391 -0.000 0.560) 12.403 17.621 ( 3.427 -0.000 1.487) 3.736 17.659 ( -16.988 -0.000 8.746) 19.107 17.788 ( 0.468 0.000 -3.394) 3.427 18.106 ( 20.409 -0.000 6.082) 21.296 18.829 ( -7.758 0.000 -3.298) 8.430 19.263 ( -20.672 -0.000 -1.620) 20.735 19.496 ( 4.481 0.000 -14.848) 15.510 19.923 ( 0.027 0.000 -3.398) 3.398 20.052 ( -2.647 -0.000 4.101) 4.881 20.371 ( 0.576 -0.000 16.286) 16.296 20.454 ( 16.344 0.000 -0.407) 16.349 20.727 ( 0.325 0.000 -4.685) 4.696 20.852 ( 1.617 0.000 -3.163) 3.552 20.985 ( 0.439 -0.000 7.574) 7.587 21.835 ( -12.848 0.000 -5.916) 14.144 22.305 ( 15.304 0.000 -1.768) 15.406 22.368 ( 8.288 0.000 -4.285) 9.330 22.717 ( 3.899 0.000 -1.599) 4.214 22.848 ( 13.353 0.000 -11.595) 17.685 23.050 ( 2.724 -0.000 2.780) 3.892 23.225 ( 10.070 -0.000 6.318) 11.888 23.372 ( 1.817 0.000 -4.410) 4.769 23.589 ( -2.878 -0.000 0.757) 2.976 23.610 ( -10.932 0.000 -9.605) 14.552 23.702 ( -1.683 -0.000 2.141) 2.724 23.854 ( -7.762 0.000 -4.996) 9.231 24.229 ( -1.492 -0.000 2.976) 3.329 24.561 ( -16.397 0.000 -1.979) 16.516 24.735 ( -13.582 -0.000 2.745) 13.857 25.463 ( 13.105 0.000 -2.536) 13.348 25.622 ( 8.163 0.000 -2.139) 8.439 25.781 ( 13.142 -0.000 4.908) 14.028 26.326 ( 9.253 -0.000 6.895) 11.539 26.904 ( 5.406 -0.000 2.181) 5.830 27.296 ( 15.192 0.000 0.560) 15.202 27.637 ( 25.913 0.000 -3.649) 26.169 28.071 ( -2.228 -0.000 1.594) 2.739 28.175 ( 0.330 -0.000 2.493) 2.515 28.348 ( -5.805 -0.000 2.924) 6.499 28.974 ( -35.394 -0.000 -2.251) 35.465 29.535 ( -22.179 -0.000 9.630) 24.180 30.061 ( 2.372 -0.000 0.722) 2.479 30.097 ( 1.944 -0.000 2.089) 2.854 31.119 ( -6.588 0.000 -11.010) 12.831 31.194 ( -14.720 0.000 -9.700) 17.629 31.546 ( 4.533 0.000 -4.537) 6.414 31.971 ( -15.890 -0.000 4.223) 16.442 32.070 ( 6.216 -0.000 2.090) 6.558 32.303 ( -5.884 -0.000 0.417) 5.899 32.627 ( 21.636 -0.000 4.155) 22.031 33.132 ( 7.872 -0.000 10.516) 13.136 33.273 ( 9.136 0.000 -1.783) 9.309 33.634 ( 7.131 -0.000 6.416) 9.592 33.734 ( -2.677 0.000 -1.456) 3.048 33.787 ( 5.005 0.000 -1.279) 5.166 34.240 ( 20.425 0.000 0.863) 20.443 34.481 ( 7.390 0.000 -2.382) 7.764 35.005 ( 4.306 0.000 -20.097) 20.553 35.378 ( 2.786 0.000 0.007) 2.786 35.928 ( -20.707 -0.000 9.533) 22.796 37.445 ( -2.219 -0.000 13.387) 13.570 37.983 ( 12.183 0.000 -16.833) 20.779 38.547 ( -7.364 -0.000 -0.003) 7.364 38.621 ( 10.141 -0.000 6.125) 11.847 39.303 ( -7.142 -0.000 2.202) 7.473 39.730 ( 9.528 0.000 -0.847) 9.565 40.221 ( 4.304 0.000 -1.597) 4.591 41.494 ( 7.378 0.000 -0.350) 7.386 ======================= Grid point 50 (39/50) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 13.619 0.000 0.000) 13.619 1.952 ( 6.036 0.000 0.000) 6.036 1.983 ( 6.594 0.000 0.000) 6.594 2.129 ( -4.939 -0.000 -0.000) 4.939 2.176 ( 4.096 0.000 0.000) 4.096 2.223 ( 1.718 0.000 0.000) 1.718 2.330 ( 0.865 0.000 0.000) 0.865 2.425 ( -4.085 -0.000 -0.000) 4.085 2.519 ( 5.713 0.000 0.000) 5.713 2.528 ( -4.545 -0.000 -0.000) 4.545 2.576 ( 7.748 0.000 0.000) 7.748 2.796 ( 1.464 0.000 0.000) 1.464 2.890 ( 2.707 0.000 0.000) 2.707 2.936 ( -0.709 -0.000 -0.000) 0.709 2.978 ( 1.555 0.000 0.000) 1.555 3.073 ( 4.047 0.000 0.000) 4.047 3.093 ( -2.276 -0.000 -0.000) 2.276 3.165 ( -0.051 -0.000 -0.000) 0.051 3.707 ( -8.231 -0.000 -0.000) 8.231 4.823 ( 3.533 0.000 0.000) 3.533 4.871 ( 4.534 0.000 0.000) 4.534 5.207 ( -2.206 -0.000 -0.000) 2.206 5.735 ( 2.732 0.000 0.000) 2.732 5.833 ( -5.922 -0.000 -0.000) 5.922 6.024 ( 5.453 0.000 0.000) 5.453 6.173 ( 8.206 0.000 0.000) 8.206 6.229 ( -0.001 -0.000 -0.000) 0.001 6.294 ( -4.629 -0.000 -0.000) 4.629 6.349 ( 7.159 0.000 0.000) 7.159 6.600 ( 3.743 0.000 0.000) 3.743 6.662 ( -6.057 -0.000 -0.000) 6.057 6.925 ( -0.582 -0.000 -0.000) 0.582 6.936 ( -0.334 -0.000 -0.000) 0.334 7.224 ( -7.647 -0.000 -0.000) 7.647 7.299 ( -2.607 -0.000 -0.000) 2.607 7.378 ( -4.155 -0.000 -0.000) 4.155 7.605 ( 9.610 0.000 0.000) 9.610 7.760 ( 1.845 0.000 0.000) 1.845 10.972 ( -6.729 -0.000 -0.000) 6.729 11.539 ( 5.053 0.000 0.000) 5.053 12.820 ( 0.535 0.000 0.000) 0.535 14.201 ( 6.981 0.000 0.000) 6.981 14.470 ( 4.619 0.000 0.000) 4.619 14.733 ( 1.179 0.000 0.000) 1.179 14.873 ( -8.173 -0.000 -0.000) 8.173 15.570 ( 14.908 0.000 0.000) 14.908 15.796 ( 2.947 0.000 0.000) 2.947 16.467 ( -3.911 -0.000 -0.000) 3.911 17.227 ( -16.150 -0.000 -0.000) 16.150 17.499 ( 3.557 0.000 0.000) 3.557 17.571 ( -5.104 -0.000 -0.000) 5.104 18.000 ( 0.957 0.000 0.000) 0.957 18.495 ( -8.674 -0.000 -0.000) 8.674 19.072 ( 9.149 0.000 0.000) 9.149 19.374 ( 21.800 0.000 0.000) 21.800 19.732 ( -13.445 -0.000 -0.000) 13.445 19.772 ( 3.225 0.000 0.000) 3.225 20.065 ( -9.463 -0.000 -0.000) 9.463 20.206 ( 2.309 0.000 0.000) 2.309 20.416 ( -9.744 -0.000 -0.000) 9.744 20.545 ( -7.730 -0.000 -0.000) 7.730 20.793 ( 2.109 0.000 0.000) 2.109 21.083 ( -5.523 -0.000 -0.000) 5.523 21.407 ( 18.441 0.000 0.000) 18.441 22.019 ( 1.320 0.000 0.000) 1.320 22.220 ( 19.803 0.000 0.000) 19.803 22.429 ( 2.836 0.000 0.000) 2.836 22.752 ( -2.622 -0.000 -0.000) 2.622 22.818 ( -19.197 -0.000 -0.000) 19.197 23.373 ( -6.016 -0.000 -0.000) 6.016 23.386 ( 1.360 0.000 0.000) 1.360 23.486 ( 1.628 0.000 0.000) 1.628 23.683 ( -0.767 -0.000 -0.000) 0.767 23.790 ( 12.723 0.000 0.000) 12.723 23.842 ( 6.460 0.000 0.000) 6.460 24.741 ( 0.182 0.000 0.000) 0.182 24.828 ( 9.495 0.000 0.000) 9.495 25.065 ( -1.170 -0.000 -0.000) 1.170 25.107 ( 13.541 0.000 0.000) 13.541 25.354 ( -9.184 -0.000 -0.000) 9.184 25.490 ( -13.920 -0.000 -0.000) 13.920 26.092 ( -20.068 -0.000 -0.000) 20.068 26.588 ( 5.032 0.000 0.000) 5.032 26.738 ( 1.394 0.000 0.000) 1.394 26.955 ( -11.996 -0.000 -0.000) 11.996 28.148 ( 0.080 0.000 0.000) 0.080 28.211 ( -2.006 -0.000 -0.000) 2.006 28.604 ( -0.741 -0.000 -0.000) 0.741 30.020 ( -1.971 -0.000 -0.000) 1.971 30.044 ( -3.043 -0.000 -0.000) 3.043 30.232 ( 0.037 0.000 0.000) 0.037 30.424 ( 29.562 0.000 0.000) 29.562 31.260 ( 6.082 0.000 0.000) 6.082 31.422 ( 6.515 0.000 0.000) 6.515 31.450 ( 14.858 0.000 0.000) 14.858 31.862 ( -10.467 -0.000 -0.000) 10.467 32.106 ( -12.821 -0.000 -0.000) 12.821 32.128 ( -14.639 -0.000 -0.000) 14.639 32.503 ( 1.609 0.000 0.000) 1.609 32.586 ( 3.519 0.000 0.000) 3.519 33.286 ( -5.111 -0.000 -0.000) 5.111 33.331 ( -2.293 -0.000 -0.000) 2.293 33.570 ( -8.522 -0.000 -0.000) 8.522 33.615 ( -3.133 -0.000 -0.000) 3.133 33.928 ( 7.238 0.000 0.000) 7.238 34.029 ( -7.822 -0.000 -0.000) 7.822 35.289 ( -0.995 -0.000 -0.000) 0.995 35.398 ( -1.259 -0.000 -0.000) 1.259 36.315 ( -1.602 -0.000 -0.000) 1.602 36.992 ( 17.640 0.000 0.000) 17.640 38.068 ( -13.750 -0.000 -0.000) 13.750 38.313 ( -0.463 -0.000 -0.000) 0.463 38.846 ( 4.909 0.000 0.000) 4.909 39.367 ( -5.186 -0.000 -0.000) 5.186 39.478 ( 2.587 0.000 0.000) 2.587 40.110 ( -1.790 -0.000 -0.000) 1.790 41.260 ( -2.420 -0.000 -0.000) 2.420 ======================= Grid point 54 (40/50) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 21.956 -0.000) 21.956 1.163 ( 0.000 6.778 -0.000) 6.778 1.215 ( 0.000 24.309 -0.000) 24.309 1.735 ( 0.000 21.297 -0.000) 21.297 1.910 ( -0.000 -7.718 0.000) 7.718 2.009 ( 0.000 5.860 -0.000) 5.860 2.136 ( -0.000 -1.861 0.000) 1.861 2.286 ( -0.000 -1.730 0.000) 1.730 2.328 ( -0.000 -7.178 0.000) 7.178 2.542 ( 0.000 3.593 -0.000) 3.593 2.563 ( 0.000 8.072 -0.000) 8.072 2.568 ( -0.000 -3.386 0.000) 3.386 2.652 ( -0.000 -0.951 0.000) 0.951 2.757 ( 0.000 1.427 -0.000) 1.427 2.820 ( -0.000 -8.219 0.000) 8.219 3.054 ( -0.000 -1.623 0.000) 1.623 3.182 ( -0.000 -4.611 0.000) 4.611 3.229 ( -0.000 -0.012 0.000) 0.012 3.677 ( 0.000 0.173 -0.000) 0.173 4.572 ( -0.000 -5.403 0.000) 5.403 4.667 ( -0.000 -5.976 0.000) 5.976 5.037 ( -0.000 -0.006 0.000) 0.006 5.115 ( 0.000 0.088 -0.000) 0.088 5.373 ( -0.000 -0.124 0.000) 0.124 5.788 ( 0.000 1.444 -0.000) 1.444 5.943 ( 0.000 6.525 -0.000) 6.525 6.293 ( -0.000 -0.885 0.000) 0.885 6.371 ( -0.000 -0.686 0.000) 0.686 6.452 ( -0.000 -1.911 0.000) 1.911 6.607 ( 0.000 5.237 -0.000) 5.237 6.693 ( -0.000 -6.276 0.000) 6.276 6.983 ( 0.000 1.947 -0.000) 1.947 6.997 ( 0.000 0.197 -0.000) 0.197 7.170 ( 0.000 8.539 -0.000) 8.539 7.185 ( 0.000 3.494 -0.000) 3.494 7.538 ( -0.000 -14.655 0.000) 14.655 7.617 ( -0.000 -1.373 0.000) 1.373 7.865 ( 0.000 1.001 -0.000) 1.001 11.741 ( 0.000 0.060 -0.000) 0.060 12.122 ( 0.000 19.300 -0.000) 19.300 12.464 ( -0.000 -3.705 0.000) 3.705 12.935 ( -0.000 -13.329 0.000) 13.329 13.907 ( 0.000 5.772 -0.000) 5.772 14.131 ( 0.000 0.490 -0.000) 0.490 15.038 ( 0.000 6.961 -0.000) 6.961 15.263 ( 0.000 6.353 -0.000) 6.353 16.147 ( -0.000 -10.002 0.000) 10.002 16.788 ( -0.000 -7.688 0.000) 7.688 17.198 ( 0.000 13.890 -0.000) 13.890 17.213 ( -0.000 -1.455 0.000) 1.455 17.493 ( -0.000 -1.396 0.000) 1.396 18.077 ( 0.000 13.187 -0.000) 13.187 18.367 ( -0.000 -22.666 0.000) 22.666 18.723 ( -0.000 -4.380 0.000) 4.380 19.144 ( -0.000 -3.895 0.000) 3.895 19.803 ( -0.000 -6.605 0.000) 6.605 19.842 ( -0.000 -4.395 0.000) 4.395 20.086 ( -0.000 -3.881 0.000) 3.881 20.246 ( -0.000 -6.608 0.000) 6.608 20.281 ( 0.000 13.044 -0.000) 13.044 20.967 ( 0.000 3.724 -0.000) 3.724 20.982 ( -0.000 -8.832 0.000) 8.832 21.377 ( 0.000 10.563 -0.000) 10.563 21.527 ( -0.000 -13.394 0.000) 13.394 22.270 ( 0.000 24.655 -0.000) 24.655 22.530 ( 0.000 2.787 -0.000) 2.787 22.947 ( 0.000 1.399 -0.000) 1.399 22.958 ( 0.000 3.082 -0.000) 3.082 22.981 ( 0.000 1.315 -0.000) 1.315 23.344 ( 0.000 1.293 -0.000) 1.293 23.376 ( 0.000 4.470 -0.000) 4.470 23.410 ( -0.000 -4.840 0.000) 4.840 23.434 ( 0.000 1.407 -0.000) 1.407 23.753 ( 0.000 1.125 -0.000) 1.125 23.761 ( -0.000 -3.945 0.000) 3.945 23.874 ( -0.000 -6.852 0.000) 6.852 24.487 ( -0.000 -2.697 0.000) 2.697 24.620 ( -0.000 -0.115 0.000) 0.115 25.553 ( 0.000 3.500 -0.000) 3.500 25.846 ( -0.000 -0.720 0.000) 0.720 25.862 ( 0.000 13.603 -0.000) 13.603 26.981 ( 0.000 3.318 -0.000) 3.318 27.109 ( -0.000 -15.045 0.000) 15.045 27.512 ( 0.000 1.493 -0.000) 1.493 27.544 ( 0.000 6.338 -0.000) 6.338 27.860 ( -0.000 -0.229 0.000) 0.229 28.196 ( 0.000 2.001 -0.000) 2.001 28.403 ( -0.000 -2.459 0.000) 2.459 28.530 ( 0.000 4.017 -0.000) 4.017 28.703 ( 0.000 0.779 -0.000) 0.779 30.106 ( -0.000 -2.878 0.000) 2.878 30.125 ( 0.000 2.400 -0.000) 2.400 30.694 ( 0.000 5.059 -0.000) 5.059 31.049 ( 0.000 4.977 -0.000) 4.977 31.627 ( -0.000 -2.916 0.000) 2.916 31.856 ( 0.000 1.519 -0.000) 1.519 32.033 ( -0.000 -0.222 0.000) 0.222 32.042 ( 0.000 1.318 -0.000) 1.318 33.114 ( -0.000 -0.402 0.000) 0.402 33.116 ( -0.000 -0.590 0.000) 0.590 33.524 ( -0.000 -5.750 0.000) 5.750 33.785 ( 0.000 3.959 -0.000) 3.959 33.946 ( -0.000 -0.195 0.000) 0.195 34.035 ( 0.000 6.415 -0.000) 6.415 34.271 ( -0.000 -5.132 0.000) 5.132 34.697 ( 0.000 0.198 -0.000) 0.198 34.730 ( 0.000 2.373 -0.000) 2.373 35.606 ( 0.000 3.175 -0.000) 3.175 36.150 ( -0.000 -12.745 0.000) 12.745 37.102 ( 0.000 4.022 -0.000) 4.022 38.434 ( 0.000 0.072 -0.000) 0.072 38.438 ( 0.000 0.541 -0.000) 0.541 38.810 ( -0.000 -4.783 0.000) 4.783 39.063 ( 0.000 0.199 -0.000) 0.199 40.104 ( -0.000 -3.914 0.000) 3.914 40.335 ( 0.000 1.494 -0.000) 1.494 41.663 ( 0.000 0.292 -0.000) 0.292 ======================= Grid point 59 (41/50) ======================= q-point: ( 0.49 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -10.755 3.914 -0.000) 11.445 1.745 ( -8.131 9.614 -0.000) 12.592 1.957 ( -7.582 -5.781 0.000) 9.534 1.972 ( -9.233 10.034 -0.000) 13.635 2.063 ( -7.183 3.593 -0.000) 8.032 2.075 ( -1.383 -4.803 0.000) 4.998 2.186 ( -0.311 1.851 -0.000) 1.877 2.364 ( -5.785 0.224 -0.000) 5.789 2.394 ( -4.036 -7.708 0.000) 8.701 2.579 ( -5.671 -3.928 0.000) 6.898 2.658 ( -4.695 -2.884 0.000) 5.510 2.669 ( -1.543 3.106 -0.000) 3.468 2.715 ( -1.092 1.190 -0.000) 1.615 2.801 ( -2.352 7.672 -0.000) 8.025 2.833 ( -4.459 -1.354 0.000) 4.660 3.039 ( -0.652 -4.357 0.000) 4.406 3.092 ( -0.332 0.751 -0.000) 0.821 3.205 ( 0.878 -0.083 0.000) 0.882 3.942 ( 16.573 -3.157 0.000) 16.871 4.307 ( -21.855 2.007 -0.000) 21.947 4.574 ( -7.783 -6.985 0.000) 10.458 5.309 ( -1.004 3.206 -0.000) 3.359 5.436 ( -11.331 0.164 -0.000) 11.332 5.637 ( -1.217 8.502 -0.000) 8.589 5.926 ( -5.343 1.254 -0.000) 5.488 6.092 ( -1.206 4.946 -0.000) 5.091 6.228 ( -6.963 -12.160 0.000) 14.013 6.266 ( -0.684 2.260 -0.000) 2.361 6.338 ( 2.379 -3.531 0.000) 4.258 6.684 ( -7.606 -0.483 -0.000) 7.621 6.821 ( 3.876 1.416 -0.000) 4.127 6.964 ( 1.552 0.087 0.000) 1.555 7.055 ( 9.401 1.268 0.000) 9.486 7.091 ( -1.941 -7.519 0.000) 7.765 7.128 ( 3.997 -1.918 0.000) 4.433 7.367 ( -4.472 12.634 -0.000) 13.402 7.479 ( 5.278 -0.288 0.000) 5.286 7.853 ( -0.532 -6.946 0.000) 6.966 11.449 ( 13.565 0.913 0.000) 13.596 12.071 ( 13.155 7.149 -0.000) 14.972 12.613 ( -7.643 -2.353 0.000) 7.997 13.168 ( -21.296 -5.441 0.000) 21.980 14.096 ( -5.848 1.938 -0.000) 6.161 14.834 ( -27.664 -3.809 -0.000) 27.925 14.994 ( 1.752 -6.677 0.000) 6.903 15.793 ( -0.952 1.598 -0.000) 1.860 16.177 ( -16.121 0.904 -0.000) 16.146 16.237 ( 31.047 5.204 0.000) 31.480 17.171 ( -17.070 -6.904 0.000) 18.414 17.516 ( 4.146 6.834 -0.000) 7.993 17.549 ( -8.656 0.860 -0.000) 8.699 17.935 ( -0.087 -7.340 0.000) 7.340 18.007 ( 25.010 -0.945 0.000) 25.028 18.899 ( -11.616 -0.560 -0.000) 11.630 19.222 ( -15.522 5.961 -0.000) 16.628 19.837 ( 9.935 -1.914 0.000) 10.117 19.840 ( -1.638 4.597 -0.000) 4.880 20.054 ( -7.734 -3.600 0.000) 8.531 20.139 ( -1.216 -5.591 0.000) 5.722 20.545 ( 12.922 -5.213 0.000) 13.934 20.781 ( -7.176 7.221 -0.000) 10.180 20.812 ( 6.419 -3.307 0.000) 7.221 20.945 ( 8.535 -2.259 0.000) 8.829 21.862 ( -12.036 4.692 -0.000) 12.918 22.147 ( 16.341 8.931 -0.000) 18.623 22.558 ( 11.725 -10.104 0.000) 15.478 22.606 ( 1.810 12.502 -0.000) 12.632 22.980 ( 2.606 4.722 -0.000) 5.394 23.056 ( 12.916 0.137 0.000) 12.917 23.124 ( 0.235 -3.673 0.000) 3.680 23.403 ( -3.202 9.614 -0.000) 10.133 23.499 ( -1.667 0.996 -0.000) 1.942 23.561 ( 1.414 4.489 -0.000) 4.706 23.762 ( -12.164 -2.223 -0.000) 12.365 23.991 ( -8.781 -5.627 0.000) 10.429 24.153 ( 3.056 3.513 -0.000) 4.656 24.692 ( -14.338 1.087 -0.000) 14.379 24.765 ( -16.269 -12.546 0.000) 20.544 25.432 ( 7.715 11.169 -0.000) 13.575 25.473 ( 13.690 0.876 0.000) 13.718 25.783 ( 14.089 -0.465 0.000) 14.097 26.433 ( 14.375 -14.108 0.000) 20.141 26.917 ( 3.319 -3.204 0.000) 4.613 27.246 ( 10.648 3.574 -0.000) 11.231 27.549 ( 23.946 9.031 -0.000) 25.592 28.082 ( 0.784 -2.279 0.000) 2.410 28.178 ( -0.128 -1.418 0.000) 1.423 28.294 ( -4.588 1.031 -0.000) 4.703 28.976 ( -36.677 2.356 -0.000) 36.752 29.387 ( -18.671 1.718 -0.000) 18.750 30.091 ( 2.756 -1.960 0.000) 3.382 30.158 ( -3.139 -8.553 0.000) 9.111 31.124 ( -8.230 8.875 -0.000) 12.104 31.275 ( -10.254 6.820 -0.000) 12.315 31.701 ( 1.772 -2.164 0.000) 2.797 31.906 ( -12.682 0.073 -0.000) 12.682 32.012 ( 0.449 -1.413 0.000) 1.482 32.324 ( -8.709 -2.356 0.000) 9.022 32.501 ( 23.714 4.501 0.000) 24.137 32.992 ( 9.645 -0.642 0.000) 9.667 33.336 ( 3.477 -1.781 0.000) 3.907 33.545 ( 14.982 -0.025 0.000) 14.982 33.794 ( 4.722 1.076 -0.000) 4.843 33.812 ( -0.153 -5.999 0.000) 6.001 34.253 ( 19.831 -2.233 0.000) 19.957 34.449 ( 10.649 2.818 -0.000) 11.015 35.423 ( -23.147 3.756 -0.000) 23.449 35.507 ( 5.418 0.795 0.000) 5.476 35.670 ( 1.482 -10.034 0.000) 10.143 37.135 ( -0.826 5.646 -0.000) 5.706 38.338 ( 15.996 2.923 0.000) 16.260 38.383 ( 2.515 0.357 0.000) 2.540 38.604 ( -6.861 -3.903 0.000) 7.893 39.219 ( -5.224 3.742 -0.000) 6.426 39.831 ( 7.578 -6.809 0.000) 10.187 40.218 ( 5.511 2.129 -0.000) 5.908 41.495 ( 7.409 0.332 0.000) 7.417 ======================= Grid point 61 (42/50) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -2.498 -0.000 -0.000) 2.498 1.993 ( -8.206 -0.000 -0.000) 8.206 2.049 ( 7.376 0.000 0.000) 7.376 2.057 ( 0.641 0.000 0.000) 0.641 2.219 ( -3.764 -0.000 -0.000) 3.764 2.238 ( -0.016 -0.000 -0.000) 0.016 2.330 ( -1.217 -0.000 -0.000) 1.217 2.413 ( 3.892 0.000 0.000) 3.892 2.419 ( -6.599 -0.000 -0.000) 6.599 2.617 ( 4.409 0.000 0.000) 4.409 2.647 ( 1.003 0.000 0.000) 1.003 2.801 ( -1.027 -0.000 -0.000) 1.027 2.924 ( -0.250 -0.000 -0.000) 0.250 2.925 ( -0.274 -0.000 -0.000) 0.274 2.982 ( -1.263 -0.000 -0.000) 1.263 3.012 ( -4.541 -0.000 -0.000) 4.541 3.139 ( 1.107 0.000 0.000) 1.107 3.172 ( 0.656 0.000 0.000) 0.656 3.598 ( -2.407 -0.000 -0.000) 2.407 4.810 ( -4.724 -0.000 -0.000) 4.724 4.879 ( -3.686 -0.000 -0.000) 3.686 5.205 ( 1.763 0.000 0.000) 1.763 5.733 ( -2.897 -0.000 -0.000) 2.897 5.748 ( -2.563 -0.000 -0.000) 2.563 6.118 ( 3.230 0.000 0.000) 3.230 6.198 ( -4.292 -0.000 -0.000) 4.292 6.238 ( 0.822 0.000 0.000) 0.822 6.260 ( -0.701 -0.000 -0.000) 0.701 6.515 ( 9.485 0.000 0.000) 9.485 6.653 ( 6.541 0.000 0.000) 6.541 6.659 ( 3.005 0.000 0.000) 3.005 6.745 ( -16.587 -0.000 -0.000) 16.587 6.930 ( -0.168 -0.000 -0.000) 0.168 7.105 ( -4.387 -0.000 -0.000) 4.387 7.299 ( 2.372 0.000 0.000) 2.372 7.413 ( 4.622 0.000 0.000) 4.622 7.624 ( -6.651 -0.000 -0.000) 6.651 7.767 ( -1.167 -0.000 -0.000) 1.167 10.970 ( 6.571 0.000 0.000) 6.571 11.673 ( 8.771 0.000 0.000) 8.771 12.797 ( -2.884 -0.000 -0.000) 2.884 14.123 ( -26.700 -0.000 -0.000) 26.700 14.271 ( 0.210 0.000 0.000) 0.210 14.770 ( 2.574 0.000 0.000) 2.574 15.173 ( 25.411 0.000 0.000) 25.411 15.638 ( -9.296 -0.000 -0.000) 9.296 15.819 ( -0.328 -0.000 -0.000) 0.328 16.435 ( 0.089 0.000 0.000) 0.089 17.133 ( 8.366 0.000 0.000) 8.366 17.498 ( -3.989 -0.000 -0.000) 3.989 17.517 ( -0.634 -0.000 -0.000) 0.634 17.986 ( -1.912 -0.000 -0.000) 1.912 18.262 ( -15.646 -0.000 -0.000) 15.646 19.300 ( 13.551 0.000 0.000) 13.551 19.453 ( -15.026 -0.000 -0.000) 15.026 19.717 ( 9.356 0.000 0.000) 9.356 19.852 ( 4.285 0.000 0.000) 4.285 19.916 ( -1.629 -0.000 -0.000) 1.629 20.227 ( -5.114 -0.000 -0.000) 5.114 20.336 ( 6.899 0.000 0.000) 6.899 20.360 ( -10.332 -0.000 -0.000) 10.332 20.864 ( 4.663 0.000 0.000) 4.663 20.979 ( -4.919 -0.000 -0.000) 4.919 21.766 ( 18.131 0.000 0.000) 18.131 22.047 ( 1.468 0.000 0.000) 1.468 22.453 ( -16.728 -0.000 -0.000) 16.728 22.549 ( 8.444 0.000 0.000) 8.444 22.581 ( 16.861 0.000 0.000) 16.861 22.718 ( -0.883 -0.000 -0.000) 0.883 23.249 ( -6.456 -0.000 -0.000) 6.456 23.418 ( 2.034 0.000 0.000) 2.034 23.514 ( 1.075 0.000 0.000) 1.075 23.676 ( 0.087 0.000 0.000) 0.087 23.918 ( 1.426 0.000 0.000) 1.426 24.007 ( 8.983 0.000 0.000) 8.983 24.606 ( -16.518 -0.000 -0.000) 16.518 25.005 ( 6.886 0.000 0.000) 6.886 25.106 ( 5.263 0.000 0.000) 5.263 25.234 ( -4.873 -0.000 -0.000) 4.873 25.258 ( 3.590 0.000 0.000) 3.590 25.324 ( -2.371 -0.000 -0.000) 2.371 25.838 ( -1.702 -0.000 -0.000) 1.702 26.765 ( 1.720 0.000 0.000) 1.720 26.795 ( 13.832 0.000 0.000) 13.832 26.844 ( 2.433 0.000 0.000) 2.433 28.139 ( -1.140 -0.000 -0.000) 1.140 28.180 ( -1.242 -0.000 -0.000) 1.242 28.551 ( -4.480 -0.000 -0.000) 4.480 30.001 ( -1.167 -0.000 -0.000) 1.167 30.002 ( 0.174 0.000 0.000) 0.174 30.122 ( -11.325 -0.000 -0.000) 11.325 30.483 ( -25.358 -0.000 -0.000) 25.358 31.292 ( 0.292 0.000 0.000) 0.292 31.665 ( 5.590 0.000 0.000) 5.590 31.666 ( 13.165 0.000 0.000) 13.165 31.774 ( 8.261 0.000 0.000) 8.261 31.920 ( -4.782 -0.000 -0.000) 4.782 32.192 ( 16.556 0.000 0.000) 16.556 32.491 ( -2.722 -0.000 -0.000) 2.722 32.493 ( -11.641 -0.000 -0.000) 11.641 33.217 ( -1.643 -0.000 -0.000) 1.643 33.302 ( -0.421 -0.000 -0.000) 0.421 33.549 ( 4.819 0.000 0.000) 4.819 33.619 ( 4.928 0.000 0.000) 4.928 33.903 ( -5.120 -0.000 -0.000) 5.120 34.089 ( 9.344 0.000 0.000) 9.344 35.290 ( 1.030 0.000 0.000) 1.030 35.390 ( 0.598 0.000 0.000) 0.598 36.227 ( -7.572 -0.000 -0.000) 7.572 37.272 ( 8.468 0.000 0.000) 8.468 37.892 ( -1.593 -0.000 -0.000) 1.593 38.317 ( 0.802 0.000 0.000) 0.802 38.845 ( -5.037 -0.000 -0.000) 5.037 39.373 ( 5.792 0.000 0.000) 5.792 39.497 ( -1.304 -0.000 -0.000) 1.304 40.093 ( 0.641 0.000 0.000) 0.641 41.264 ( 2.803 0.000 0.000) 2.803 ======================= Grid point 62 (43/50) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -9.799 0.000 -15.381) 18.237 1.461 ( -7.726 0.000 -21.617) 22.956 1.716 ( -5.284 0.000 -10.871) 12.087 1.747 ( -13.148 0.000 -16.937) 21.442 1.991 ( -5.564 -0.000 4.667) 7.263 2.003 ( -2.449 0.000 -1.784) 3.030 2.173 ( -1.938 -0.000 3.529) 4.026 2.225 ( -0.365 -0.000 1.752) 1.789 2.283 ( -6.991 -0.000 5.172) 8.696 2.437 ( -0.130 0.000 -5.022) 5.024 2.538 ( -5.072 -0.000 4.641) 6.875 2.686 ( -2.680 -0.000 0.470) 2.721 2.731 ( 0.725 0.000 -2.397) 2.504 2.841 ( -0.111 -0.000 8.701) 8.702 2.893 ( 0.184 -0.000 2.102) 2.110 2.919 ( 0.011 0.000 -3.851) 3.851 3.053 ( 0.699 0.000 -2.647) 2.738 3.242 ( 0.847 -0.000 0.991) 1.303 3.879 ( -19.608 -0.000 -0.346) 19.611 4.350 ( -5.336 -0.000 1.509) 5.545 4.370 ( 16.431 -0.000 7.670) 18.133 5.210 ( -12.833 -0.000 0.929) 12.867 5.477 ( 4.846 0.000 0.292) 4.855 5.733 ( -1.463 0.000 -1.682) 2.229 5.826 ( -9.172 -0.000 0.729) 9.201 5.968 ( -0.056 -0.000 6.476) 6.476 6.121 ( 0.892 0.000 -2.804) 2.943 6.293 ( 0.149 0.000 -2.169) 2.174 6.302 ( 1.118 0.000 -1.392) 1.785 6.585 ( -6.610 -0.000 1.397) 6.756 6.747 ( 1.296 0.000 -7.683) 7.791 6.879 ( 1.075 0.000 -0.889) 1.395 7.011 ( 0.939 -0.000 0.841) 1.260 7.329 ( 4.372 -0.000 7.415) 8.608 7.367 ( 5.327 -0.000 10.228) 11.532 7.470 ( 3.527 0.000 -7.742) 8.508 7.502 ( -4.829 -0.000 -0.068) 4.829 7.675 ( -0.105 0.000 -1.524) 1.528 11.669 ( 7.594 0.000 -0.050) 7.594 12.314 ( 10.921 0.000 -12.429) 16.546 12.517 ( -4.058 -0.000 3.419) 5.306 12.934 ( -12.806 -0.000 14.624) 19.439 13.707 ( -4.609 0.000 -17.794) 18.381 14.284 ( -18.735 0.000 -1.791) 18.820 15.027 ( 2.059 -0.000 2.183) 3.001 15.696 ( -31.058 -0.000 1.108) 31.078 15.862 ( 2.106 0.000 -4.965) 5.393 16.827 ( -11.402 -0.000 5.229) 12.544 16.887 ( 27.523 0.000 0.430) 27.527 17.466 ( -3.928 -0.000 2.514) 4.664 17.663 ( 0.513 0.000 -1.779) 1.851 17.764 ( -0.562 0.000 -1.756) 1.844 18.543 ( 20.691 -0.000 4.247) 21.122 18.700 ( -5.063 -0.000 1.521) 5.287 18.825 ( -23.052 0.000 -4.993) 23.587 19.551 ( 1.520 0.000 -13.416) 13.502 19.888 ( -4.816 -0.000 1.022) 4.924 19.988 ( -2.578 -0.000 1.812) 3.151 20.400 ( 2.073 -0.000 15.772) 15.908 20.622 ( -6.265 0.000 -7.117) 9.482 20.768 ( 15.165 0.000 -2.147) 15.316 20.954 ( 4.977 0.000 -2.872) 5.746 21.007 ( 1.457 -0.000 6.925) 7.077 21.596 ( -11.510 0.000 -6.508) 13.223 22.512 ( 5.798 0.000 -6.003) 8.346 22.646 ( 17.618 0.000 -3.954) 18.056 22.796 ( 4.754 0.000 -0.614) 4.793 22.999 ( 3.823 -0.000 0.481) 3.853 23.203 ( 10.206 0.000 -1.317) 10.290 23.375 ( 2.183 -0.000 6.155) 6.531 23.400 ( 0.555 0.000 -4.272) 4.308 23.446 ( -1.898 0.000 -5.279) 5.609 23.449 ( -10.830 -0.000 -0.102) 10.830 23.688 ( -0.244 -0.000 3.955) 3.963 23.696 ( -8.546 0.000 -5.792) 10.324 24.206 ( -2.646 -0.000 7.482) 7.936 24.305 ( -9.181 0.000 -1.564) 9.313 24.566 ( -1.093 0.000 -0.902) 1.417 25.719 ( 12.018 0.000 -1.193) 12.077 25.739 ( 3.214 -0.000 1.574) 3.579 25.981 ( 6.708 0.000 -3.812) 7.716 26.421 ( 0.933 0.000 -0.071) 0.935 27.022 ( 5.800 -0.000 7.114) 9.179 27.475 ( 5.545 -0.000 2.271) 5.992 28.036 ( -1.255 -0.000 2.324) 2.642 28.063 ( 6.176 0.000 -3.300) 7.002 28.157 ( -12.555 0.000 -3.250) 12.969 28.224 ( 5.194 -0.000 2.638) 5.825 28.549 ( -0.437 -0.000 3.574) 3.600 29.110 ( -20.819 -0.000 8.886) 22.636 30.063 ( -1.536 -0.000 0.656) 1.670 30.156 ( 3.141 -0.000 0.581) 3.195 30.939 ( -10.111 0.000 -6.175) 11.848 31.011 ( -4.047 0.000 -13.795) 14.376 31.649 ( 4.933 0.000 -1.731) 5.228 31.716 ( -9.694 -0.000 3.885) 10.444 32.195 ( 6.153 -0.000 7.051) 9.359 32.205 ( -3.880 -0.000 0.362) 3.897 32.925 ( 7.114 -0.000 4.611) 8.478 33.117 ( -2.727 -0.000 3.812) 4.687 33.559 ( 14.428 0.000 -3.293) 14.799 33.679 ( 2.445 -0.000 0.619) 2.522 33.844 ( 9.731 -0.000 0.863) 9.770 33.862 ( 2.677 0.000 -1.982) 3.331 34.578 ( 2.803 0.000 -7.123) 7.654 34.581 ( 13.323 0.000 -0.188) 13.325 34.972 ( -11.124 0.000 -8.241) 13.844 35.425 ( 1.849 0.000 0.031) 1.850 35.638 ( -6.093 -0.000 4.937) 7.842 37.414 ( -1.013 -0.000 13.781) 13.818 38.182 ( 8.188 0.000 -12.338) 14.808 38.432 ( -4.290 -0.000 -0.058) 4.291 38.814 ( 8.640 -0.000 5.954) 10.493 39.163 ( -6.829 -0.000 2.058) 7.132 39.884 ( 5.945 0.000 -1.426) 6.114 40.296 ( 3.138 0.000 -2.764) 4.182 41.620 ( 5.035 0.000 -0.369) 5.049 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.43 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -7.120 4.815 -0.000) 8.596 1.594 ( -6.533 15.386 -0.000) 16.715 1.765 ( -10.060 13.960 -0.000) 17.207 1.827 ( -5.415 -5.464 0.000) 7.693 1.964 ( -3.333 5.092 -0.000) 6.085 2.056 ( -0.605 -6.215 0.000) 6.244 2.186 ( 0.268 3.715 -0.000) 3.725 2.252 ( -4.748 -3.015 0.000) 5.625 2.268 ( -7.326 -5.364 0.000) 9.080 2.489 ( -1.767 -7.020 0.000) 7.239 2.614 ( -1.972 -8.183 0.000) 8.417 2.632 ( -1.664 2.932 -0.000) 3.371 2.688 ( -1.674 1.979 -0.000) 2.592 2.762 ( -1.342 8.403 -0.000) 8.510 2.780 ( -1.109 -0.805 0.000) 1.371 3.035 ( 0.177 -2.006 0.000) 2.014 3.095 ( 0.442 -0.610 0.000) 0.753 3.219 ( 0.507 -0.299 0.000) 0.588 3.880 ( -19.311 0.504 -0.000) 19.318 4.280 ( 16.844 -2.641 0.000) 17.050 4.451 ( -4.508 -10.497 0.000) 11.424 5.198 ( -12.522 -0.028 -0.000) 12.522 5.275 ( -2.080 9.908 -0.000) 10.124 5.624 ( -0.159 12.890 -0.000) 12.891 5.843 ( -3.019 1.013 -0.000) 3.184 6.083 ( 0.100 5.958 -0.000) 5.959 6.140 ( -1.156 -18.436 0.000) 18.472 6.288 ( 1.217 2.937 -0.000) 3.179 6.375 ( 1.372 -3.656 0.000) 3.905 6.487 ( -9.695 -1.174 -0.000) 9.766 6.874 ( 1.827 2.073 -0.000) 2.763 6.990 ( 1.048 0.140 0.000) 1.057 7.118 ( 2.907 -12.903 0.000) 13.227 7.199 ( 5.231 2.068 -0.000) 5.625 7.225 ( 4.234 2.163 -0.000) 4.755 7.274 ( -4.522 11.206 -0.000) 12.084 7.566 ( 3.413 -0.356 0.000) 3.431 7.830 ( -1.427 -6.265 0.000) 6.425 11.663 ( 7.995 0.431 0.000) 8.006 12.325 ( 11.832 9.955 -0.000) 15.463 12.479 ( -5.491 -1.106 -0.000) 5.601 12.832 ( -12.722 -7.285 0.000) 14.661 14.006 ( -3.040 2.117 -0.000) 3.704 14.348 ( -20.796 -2.017 -0.000) 20.893 15.025 ( 1.623 -5.267 0.000) 5.511 15.625 ( -19.509 6.297 -0.000) 20.500 15.953 ( 0.044 -5.869 0.000) 5.869 16.829 ( 28.645 4.582 0.000) 29.010 16.834 ( -16.000 -5.557 0.000) 16.937 17.457 ( -1.736 -1.981 0.000) 2.634 17.565 ( -0.007 7.842 -0.000) 7.842 17.940 ( 0.395 -12.607 0.000) 12.613 18.378 ( 8.972 8.503 -0.000) 12.361 18.714 ( -6.974 -2.196 0.000) 7.312 18.963 ( -6.591 -3.777 0.000) 7.596 19.802 ( -1.760 3.229 -0.000) 3.677 19.897 ( -8.134 -1.899 0.000) 8.353 19.975 ( 4.088 -1.889 0.000) 4.504 20.136 ( 0.811 -4.788 0.000) 4.856 20.607 ( -6.989 9.726 -0.000) 11.977 20.831 ( 13.118 -2.994 0.000) 13.455 20.868 ( 1.400 -0.630 0.000) 1.535 21.151 ( 9.288 -9.281 0.000) 13.130 21.637 ( -10.709 3.601 -0.000) 11.298 22.472 ( 14.957 8.271 -0.000) 17.092 22.657 ( 3.239 14.339 -0.000) 14.700 22.784 ( 11.770 -6.069 0.000) 13.243 22.980 ( -1.309 1.514 -0.000) 2.002 23.222 ( 9.008 1.577 0.000) 9.145 23.254 ( 2.196 5.500 -0.000) 5.922 23.294 ( -4.162 5.047 -0.000) 6.542 23.470 ( -1.192 1.042 -0.000) 1.583 23.500 ( -5.370 2.296 -0.000) 5.840 23.646 ( -0.048 -4.231 0.000) 4.232 23.857 ( -5.712 -2.698 0.000) 6.317 24.024 ( -15.949 -0.994 -0.000) 15.980 24.488 ( -11.220 -10.269 0.000) 15.210 24.573 ( 1.941 1.844 -0.000) 2.677 25.580 ( 6.915 8.088 -0.000) 10.641 25.722 ( 10.935 0.803 0.000) 10.965 26.008 ( 8.142 3.674 -0.000) 8.933 26.655 ( 8.113 -16.988 0.000) 18.826 26.965 ( 1.444 -2.962 0.000) 3.295 27.425 ( 8.305 1.736 0.000) 8.485 27.779 ( 1.834 14.761 -0.000) 14.874 28.090 ( -13.149 -0.033 -0.000) 13.149 28.222 ( -0.377 0.624 -0.000) 0.730 28.314 ( 17.669 -2.368 0.000) 17.827 28.438 ( -13.589 -0.407 -0.000) 13.595 29.005 ( -19.299 0.407 -0.000) 19.303 30.098 ( -3.465 -3.811 0.000) 5.151 30.146 ( 2.426 0.339 0.000) 2.450 30.916 ( -9.717 7.389 -0.000) 12.207 31.169 ( -2.209 4.792 -0.000) 5.276 31.674 ( -9.269 -1.115 -0.000) 9.336 31.762 ( 3.775 -3.734 0.000) 5.310 32.040 ( 1.215 -0.201 0.000) 1.231 32.165 ( -6.969 1.735 -0.000) 7.181 32.904 ( 15.357 -1.512 0.000) 15.432 33.088 ( 2.096 -0.550 0.000) 2.167 33.451 ( 9.968 8.137 -0.000) 12.867 33.804 ( -0.934 -11.490 0.000) 11.528 33.816 ( 9.830 1.527 0.000) 9.948 33.866 ( 3.596 1.487 -0.000) 3.892 34.591 ( 13.290 -0.545 0.000) 13.301 34.619 ( 6.311 -0.040 0.000) 6.311 34.902 ( -26.420 14.099 -0.000) 29.947 35.620 ( 5.474 2.393 -0.000) 5.974 35.741 ( 3.492 -19.710 0.000) 20.017 37.127 ( -0.027 1.297 -0.000) 1.298 38.430 ( 2.047 0.511 -0.000) 2.110 38.452 ( -3.487 -1.292 0.000) 3.719 38.656 ( 10.649 0.728 0.000) 10.674 39.121 ( -4.329 1.399 -0.000) 4.549 39.961 ( 5.216 -4.756 0.000) 7.059 40.315 ( 4.052 1.344 -0.000) 4.270 41.620 ( 4.983 0.345 0.000) 4.995 ======================= Grid point 72 (45/50) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -10.670 -0.000 -0.000) 10.670 1.904 ( -2.689 -0.000 -0.000) 2.689 2.032 ( -3.067 -0.000 -0.000) 3.067 2.093 ( -7.826 -0.000 -0.000) 7.826 2.143 ( 2.257 0.000 0.000) 2.257 2.231 ( -0.524 -0.000 -0.000) 0.524 2.269 ( -5.590 -0.000 -0.000) 5.590 2.283 ( -6.368 -0.000 -0.000) 6.368 2.457 ( -1.105 -0.000 -0.000) 1.105 2.642 ( -1.384 -0.000 -0.000) 1.384 2.689 ( 3.001 0.000 0.000) 3.001 2.761 ( -2.821 -0.000 -0.000) 2.821 2.818 ( -10.383 -0.000 -0.000) 10.383 2.921 ( -5.056 -0.000 -0.000) 5.056 2.933 ( 1.194 0.000 0.000) 1.194 2.947 ( -2.521 -0.000 -0.000) 2.521 3.134 ( -1.060 -0.000 -0.000) 1.060 3.188 ( 0.901 0.000 0.000) 0.901 3.651 ( 8.474 0.000 0.000) 8.474 4.665 ( -9.425 -0.000 -0.000) 9.425 4.716 ( -13.684 -0.000 -0.000) 13.684 5.264 ( 4.150 0.000 0.000) 4.150 5.628 ( -7.775 -0.000 -0.000) 7.775 5.734 ( 0.801 0.000 0.000) 0.801 6.056 ( -6.165 -0.000 -0.000) 6.165 6.204 ( -3.256 -0.000 -0.000) 3.256 6.222 ( 3.516 0.000 0.000) 3.516 6.249 ( -1.407 -0.000 -0.000) 1.407 6.389 ( -16.329 -0.000 -0.000) 16.329 6.689 ( 7.694 0.000 0.000) 7.694 6.726 ( 3.469 0.000 0.000) 3.469 6.852 ( 11.856 0.000 0.000) 11.856 6.937 ( 1.031 0.000 0.000) 1.031 7.068 ( 0.953 0.000 0.000) 0.953 7.269 ( -18.425 -0.000 -0.000) 18.425 7.374 ( 4.957 0.000 0.000) 4.957 7.601 ( 4.542 0.000 0.000) 4.542 7.715 ( -4.061 -0.000 -0.000) 4.061 11.186 ( 14.152 0.000 0.000) 14.152 11.878 ( 12.436 0.000 0.000) 12.436 12.711 ( -5.837 -0.000 -0.000) 5.837 13.597 ( -26.809 -0.000 -0.000) 26.809 14.221 ( -4.763 -0.000 -0.000) 4.763 14.829 ( 3.350 0.000 0.000) 3.350 15.284 ( -24.184 -0.000 -0.000) 24.184 15.706 ( 29.190 0.000 0.000) 29.190 15.803 ( -0.737 -0.000 -0.000) 0.737 16.424 ( -3.209 -0.000 -0.000) 3.209 17.345 ( -11.492 -0.000 -0.000) 11.492 17.481 ( 24.397 0.000 0.000) 24.397 17.540 ( 2.834 0.000 0.000) 2.834 17.903 ( -20.256 -0.000 -0.000) 20.256 17.935 ( -3.267 -0.000 -0.000) 3.267 19.162 ( -14.780 -0.000 -0.000) 14.780 19.571 ( 13.848 0.000 0.000) 13.848 19.600 ( -13.233 -0.000 -0.000) 13.233 19.911 ( 1.402 0.000 0.000) 1.402 20.130 ( -3.932 -0.000 -0.000) 3.932 20.136 ( 16.143 0.000 0.000) 16.143 20.168 ( -9.108 -0.000 -0.000) 9.108 20.550 ( 13.324 0.000 0.000) 13.324 20.904 ( -2.558 -0.000 -0.000) 2.558 20.935 ( 1.232 0.000 0.000) 1.232 22.072 ( 6.702 0.000 0.000) 6.702 22.108 ( 6.210 0.000 0.000) 6.210 22.176 ( -4.651 -0.000 -0.000) 4.651 22.719 ( 1.104 0.000 0.000) 1.104 22.779 ( 14.149 0.000 0.000) 14.149 22.859 ( 11.903 0.000 0.000) 11.903 23.131 ( -5.626 -0.000 -0.000) 5.626 23.461 ( 2.185 0.000 0.000) 2.185 23.524 ( -0.095 -0.000 -0.000) 0.095 23.681 ( 0.190 0.000 0.000) 0.190 23.903 ( -3.048 -0.000 -0.000) 3.048 24.139 ( 5.194 0.000 0.000) 5.194 24.206 ( -21.398 -0.000 -0.000) 21.398 24.955 ( -19.202 -0.000 -0.000) 19.202 24.959 ( -10.980 -0.000 -0.000) 10.980 25.261 ( 10.452 0.000 0.000) 10.452 25.420 ( 10.167 0.000 0.000) 10.167 25.461 ( 14.381 0.000 0.000) 14.381 25.990 ( 12.782 0.000 0.000) 12.782 26.810 ( 2.872 0.000 0.000) 2.872 27.064 ( 13.122 0.000 0.000) 13.122 27.100 ( 23.558 0.000 0.000) 23.558 28.104 ( -2.431 -0.000 -0.000) 2.431 28.164 ( -0.393 -0.000 -0.000) 0.393 28.439 ( -6.865 -0.000 -0.000) 6.865 29.783 ( -40.892 -0.000 -0.000) 40.892 29.819 ( -19.080 -0.000 -0.000) 19.080 30.006 ( 1.765 0.000 0.000) 1.765 30.023 ( 1.842 0.000 0.000) 1.842 31.298 ( -0.072 -0.000 -0.000) 0.072 31.619 ( -10.204 -0.000 -0.000) 10.204 31.683 ( -4.756 -0.000 -0.000) 4.756 31.920 ( 5.266 0.000 0.000) 5.266 32.146 ( 21.372 0.000 0.000) 21.372 32.212 ( -16.012 -0.000 -0.000) 16.012 32.410 ( -5.299 -0.000 -0.000) 5.299 32.647 ( 24.787 0.000 0.000) 24.787 33.222 ( 2.035 0.000 0.000) 2.035 33.337 ( 5.104 0.000 0.000) 5.104 33.679 ( 7.347 0.000 0.000) 7.347 33.823 ( -3.528 -0.000 -0.000) 3.528 33.836 ( 17.058 0.000 0.000) 17.058 34.284 ( 10.505 0.000 0.000) 10.505 35.326 ( 2.485 0.000 0.000) 2.485 35.425 ( 3.156 0.000 0.000) 3.156 36.010 ( -15.191 -0.000 -0.000) 15.191 37.280 ( -4.699 -0.000 -0.000) 4.699 38.056 ( 15.728 0.000 0.000) 15.728 38.343 ( 1.897 0.000 0.000) 1.897 38.703 ( -8.379 -0.000 -0.000) 8.379 39.419 ( -6.370 -0.000 -0.000) 6.370 39.540 ( 10.249 0.000 0.000) 10.249 40.143 ( 4.300 0.000 0.000) 4.300 41.358 ( 6.561 0.000 0.000) 6.561 ======================= Grid point 74 (46/50) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 -0.000 -17.964) 17.964 1.384 ( -0.000 -0.000 -23.665) 23.665 1.594 ( -0.000 -0.000 -26.013) 26.013 1.662 ( -0.000 -0.000 -12.231) 12.231 1.932 ( 0.000 0.000 5.178) 5.178 1.988 ( 0.000 0.000 0.155) 0.155 2.152 ( 0.000 0.000 5.081) 5.081 2.205 ( 0.000 0.000 6.203) 6.203 2.222 ( 0.000 0.000 0.922) 0.922 2.439 ( -0.000 -0.000 -5.352) 5.352 2.485 ( 0.000 0.000 4.934) 4.934 2.658 ( 0.000 0.000 0.350) 0.350 2.738 ( -0.000 -0.000 -2.492) 2.492 2.844 ( 0.000 0.000 10.536) 10.536 2.895 ( 0.000 0.000 3.075) 3.075 2.919 ( -0.000 -0.000 -4.494) 4.494 3.064 ( -0.000 -0.000 -2.689) 2.689 3.251 ( 0.000 0.000 1.150) 1.150 3.666 ( -0.000 -0.000 -0.151) 0.151 4.297 ( 0.000 0.000 1.628) 1.628 4.583 ( 0.000 0.000 8.368) 8.368 5.037 ( -0.000 -0.000 -0.000) 0.000 5.530 ( 0.000 0.000 0.046) 0.046 5.715 ( -0.000 -0.000 -2.012) 2.012 5.727 ( -0.000 -0.000 -0.483) 0.483 5.969 ( 0.000 0.000 7.433) 7.433 6.133 ( -0.000 -0.000 -2.522) 2.522 6.292 ( -0.000 -0.000 -1.124) 1.124 6.313 ( -0.000 -0.000 -1.541) 1.541 6.527 ( 0.000 0.000 1.395) 1.395 6.762 ( -0.000 -0.000 -7.860) 7.860 6.892 ( -0.000 -0.000 -0.922) 0.922 7.019 ( 0.000 0.000 0.699) 0.699 7.373 ( 0.000 0.000 7.474) 7.474 7.420 ( 0.000 0.000 10.224) 10.224 7.450 ( 0.000 0.000 0.057) 0.057 7.508 ( -0.000 -0.000 -7.522) 7.522 7.671 ( -0.000 -0.000 -1.798) 1.798 11.744 ( -0.000 -0.000 -0.077) 0.077 12.441 ( -0.000 -0.000 -14.934) 14.934 12.470 ( 0.000 0.000 3.809) 3.809 12.804 ( 0.000 0.000 15.204) 15.204 13.662 ( -0.000 -0.000 -17.700) 17.700 14.084 ( -0.000 -0.000 -1.393) 1.393 15.047 ( 0.000 0.000 2.458) 2.458 15.321 ( -0.000 -0.000 -7.139) 7.139 15.892 ( -0.000 -0.000 -8.134) 8.134 16.702 ( 0.000 0.000 8.116) 8.116 17.216 ( 0.000 0.000 2.003) 2.003 17.447 ( 0.000 0.000 2.310) 2.310 17.660 ( -0.000 -0.000 -4.749) 4.749 17.766 ( 0.000 0.000 0.598) 0.598 18.535 ( -0.000 -0.000 -9.852) 9.852 18.649 ( 0.000 0.000 3.267) 3.267 18.775 ( 0.000 0.000 3.784) 3.784 19.565 ( -0.000 -0.000 -12.125) 12.125 19.805 ( 0.000 0.000 3.211) 3.211 19.968 ( -0.000 -0.000 -0.423) 0.423 20.427 ( 0.000 0.000 15.586) 15.586 20.554 ( -0.000 -0.000 -6.819) 6.819 20.954 ( -0.000 -0.000 -3.258) 3.258 21.004 ( -0.000 -0.000 -3.536) 3.536 21.023 ( 0.000 0.000 6.158) 6.158 21.452 ( -0.000 -0.000 -5.600) 5.600 22.571 ( -0.000 -0.000 -5.439) 5.439 22.792 ( -0.000 -0.000 -3.227) 3.227 22.961 ( -0.000 -0.000 -4.514) 4.514 23.039 ( 0.000 0.000 2.461) 2.461 23.245 ( 0.000 0.000 1.013) 1.013 23.305 ( 0.000 0.000 0.214) 0.214 23.376 ( -0.000 -0.000 -1.273) 1.273 23.414 ( -0.000 -0.000 -2.673) 2.673 23.485 ( 0.000 0.000 1.617) 1.617 23.574 ( -0.000 -0.000 -3.334) 3.334 23.685 ( 0.000 0.000 4.724) 4.724 24.160 ( 0.000 0.000 13.343) 13.343 24.217 ( -0.000 -0.000 -1.993) 1.993 24.608 ( 0.000 0.000 0.020) 0.020 25.754 ( 0.000 0.000 0.329) 0.329 25.854 ( 0.000 0.000 0.776) 0.776 26.042 ( -0.000 -0.000 -10.068) 10.068 26.414 ( -0.000 -0.000 -4.954) 4.954 27.086 ( 0.000 0.000 9.716) 9.716 27.551 ( -0.000 -0.000 -1.163) 1.163 27.857 ( 0.000 0.000 0.234) 0.234 28.024 ( 0.000 0.000 2.598) 2.598 28.174 ( 0.000 0.000 2.146) 2.146 28.293 ( -0.000 -0.000 -1.170) 1.170 28.734 ( -0.000 -0.000 -0.850) 0.850 28.786 ( 0.000 0.000 10.948) 10.948 30.039 ( 0.000 0.000 0.580) 0.580 30.190 ( -0.000 -0.000 -0.039) 0.039 30.839 ( -0.000 -0.000 -4.821) 4.821 30.971 ( -0.000 -0.000 -14.658) 14.658 31.619 ( 0.000 0.000 4.043) 4.043 31.702 ( -0.000 -0.000 -0.551) 0.551 32.165 ( 0.000 0.000 0.342) 0.342 32.267 ( 0.000 0.000 12.512) 12.512 32.959 ( 0.000 0.000 1.118) 1.118 33.097 ( -0.000 -0.000 -0.287) 0.287 33.604 ( -0.000 -0.000 -1.935) 1.935 33.888 ( -0.000 -0.000 -2.209) 2.209 33.891 ( -0.000 -0.000 -2.638) 2.638 33.942 ( 0.000 0.000 0.142) 0.142 34.603 ( -0.000 -0.000 -9.044) 9.044 34.715 ( -0.000 -0.000 -0.693) 0.693 34.753 ( 0.000 0.000 0.759) 0.759 35.444 ( 0.000 0.000 0.027) 0.027 35.616 ( 0.000 0.000 1.581) 1.581 37.405 ( 0.000 0.000 13.936) 13.936 38.271 ( -0.000 -0.000 -8.397) 8.397 38.389 ( -0.000 -0.000 -0.083) 0.083 38.910 ( 0.000 0.000 6.240) 6.240 39.080 ( -0.000 -0.000 -0.211) 0.211 39.944 ( -0.000 -0.000 -1.716) 1.716 40.329 ( -0.000 -0.000 -3.037) 3.037 41.671 ( -0.000 -0.000 -0.300) 0.300 ======================= Grid point 82 (47/50) ======================= q-point: ( 0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 5.284 -0.000) 5.284 1.526 ( 0.000 17.643 -0.000) 17.643 1.655 ( 0.000 16.737 -0.000) 16.737 1.769 ( -0.000 -5.006 0.000) 5.006 1.932 ( 0.000 5.380 -0.000) 5.380 2.051 ( -0.000 -6.833 0.000) 6.833 2.181 ( -0.000 -6.305 0.000) 6.305 2.197 ( 0.000 4.239 -0.000) 4.239 2.204 ( -0.000 -4.255 0.000) 4.255 2.478 ( -0.000 -4.543 0.000) 4.543 2.588 ( -0.000 -12.288 0.000) 12.288 2.615 ( 0.000 2.958 -0.000) 2.958 2.669 ( 0.000 1.705 -0.000) 1.705 2.750 ( 0.000 8.356 -0.000) 8.356 2.772 ( -0.000 -0.029 0.000) 0.029 3.039 ( -0.000 -1.423 0.000) 1.423 3.101 ( -0.000 -0.600 0.000) 0.600 3.224 ( -0.000 -0.404 0.000) 0.404 3.673 ( -0.000 -0.415 0.000) 0.415 4.407 ( -0.000 -11.758 0.000) 11.758 4.487 ( -0.000 -2.522 0.000) 2.522 5.037 ( 0.000 0.018 -0.000) 0.018 5.250 ( 0.000 12.138 -0.000) 12.138 5.625 ( 0.000 15.047 -0.000) 15.047 5.814 ( 0.000 0.892 -0.000) 0.892 6.086 ( 0.000 6.430 -0.000) 6.430 6.144 ( -0.000 -24.469 0.000) 24.469 6.299 ( 0.000 1.702 -0.000) 1.702 6.381 ( 0.000 3.043 -0.000) 3.043 6.389 ( -0.000 -3.711 0.000) 3.711 6.892 ( 0.000 2.771 -0.000) 2.771 7.001 ( 0.000 0.141 -0.000) 0.141 7.167 ( -0.000 -19.024 0.000) 19.024 7.202 ( 0.000 16.550 -0.000) 16.550 7.251 ( 0.000 2.376 -0.000) 2.376 7.275 ( 0.000 1.543 -0.000) 1.543 7.600 ( -0.000 -0.334 0.000) 0.334 7.813 ( -0.000 -5.610 0.000) 5.610 11.743 ( 0.000 0.118 -0.000) 0.118 12.422 ( -0.000 -0.412 0.000) 0.412 12.459 ( 0.000 11.228 -0.000) 11.228 12.702 ( -0.000 -7.962 0.000) 7.962 13.986 ( 0.000 1.755 -0.000) 1.755 14.116 ( -0.000 -1.243 0.000) 1.243 15.050 ( -0.000 -5.501 0.000) 5.501 15.375 ( 0.000 3.694 -0.000) 3.694 15.991 ( -0.000 -3.479 0.000) 3.479 16.652 ( -0.000 -4.606 0.000) 4.606 17.192 ( -0.000 -0.528 0.000) 0.528 17.445 ( -0.000 -2.498 0.000) 2.498 17.520 ( 0.000 14.386 -0.000) 14.386 17.945 ( -0.000 -14.797 0.000) 14.797 18.383 ( 0.000 14.841 -0.000) 14.841 18.644 ( -0.000 -2.717 0.000) 2.717 18.971 ( -0.000 -11.598 0.000) 11.598 19.780 ( -0.000 -1.569 0.000) 1.569 19.798 ( 0.000 3.733 -0.000) 3.733 20.009 ( -0.000 -2.980 0.000) 2.980 20.150 ( -0.000 -3.270 0.000) 3.270 20.531 ( 0.000 9.281 -0.000) 9.281 20.881 ( 0.000 0.217 -0.000) 0.217 20.994 ( -0.000 -0.400 0.000) 0.400 21.246 ( -0.000 -12.422 0.000) 12.422 21.505 ( 0.000 2.251 -0.000) 2.251 22.632 ( 0.000 4.989 -0.000) 4.989 22.698 ( 0.000 14.750 -0.000) 14.750 22.963 ( 0.000 0.231 -0.000) 0.231 22.994 ( 0.000 0.883 -0.000) 0.883 23.089 ( 0.000 8.432 -0.000) 8.432 23.320 ( -0.000 -2.660 0.000) 2.660 23.375 ( 0.000 1.350 -0.000) 1.350 23.458 ( 0.000 0.802 -0.000) 0.802 23.468 ( 0.000 2.501 -0.000) 2.501 23.657 ( -0.000 -4.846 0.000) 4.846 23.780 ( 0.000 1.154 -0.000) 1.154 23.789 ( -0.000 -0.536 0.000) 0.536 24.372 ( -0.000 -7.938 0.000) 7.938 24.614 ( -0.000 -0.399 0.000) 0.399 25.658 ( 0.000 6.208 -0.000) 6.208 25.841 ( 0.000 0.166 -0.000) 0.166 26.084 ( 0.000 7.042 -0.000) 7.042 26.736 ( -0.000 -18.078 0.000) 18.078 26.976 ( -0.000 -2.469 0.000) 2.469 27.546 ( 0.000 1.274 -0.000) 1.274 27.788 ( 0.000 14.140 -0.000) 14.140 27.856 ( -0.000 -0.161 0.000) 0.161 28.215 ( -0.000 -0.677 0.000) 0.677 28.358 ( -0.000 -1.563 0.000) 1.563 28.588 ( 0.000 1.203 -0.000) 1.203 28.728 ( 0.000 1.308 -0.000) 1.308 30.053 ( -0.000 -1.882 0.000) 1.882 30.171 ( 0.000 1.720 -0.000) 1.720 30.820 ( 0.000 6.176 -0.000) 6.176 31.151 ( 0.000 3.921 -0.000) 3.921 31.580 ( -0.000 -1.488 0.000) 1.488 31.809 ( -0.000 -5.337 0.000) 5.337 32.052 ( -0.000 -0.117 0.000) 0.117 32.088 ( 0.000 4.694 -0.000) 4.694 33.043 ( -0.000 -6.089 0.000) 6.089 33.106 ( -0.000 -0.294 0.000) 0.294 33.647 ( 0.000 16.197 -0.000) 16.197 33.765 ( -0.000 -13.249 0.000) 13.249 33.874 ( 0.000 3.840 -0.000) 3.840 33.943 ( -0.000 -0.139 0.000) 0.139 34.572 ( 0.000 15.237 -0.000) 15.237 34.681 ( -0.000 -1.402 0.000) 1.402 34.735 ( -0.000 -0.983 0.000) 0.983 35.680 ( 0.000 3.272 -0.000) 3.272 35.778 ( -0.000 -21.912 0.000) 21.912 37.128 ( -0.000 -0.425 0.000) 0.425 38.412 ( -0.000 -1.637 0.000) 1.637 38.451 ( 0.000 0.624 -0.000) 0.624 38.772 ( 0.000 0.672 -0.000) 0.672 39.075 ( 0.000 0.667 -0.000) 0.667 40.014 ( -0.000 -3.985 0.000) 3.985 40.358 ( 0.000 0.686 -0.000) 0.686 41.671 ( 0.000 0.338 -0.000) 0.338 ======================= Grid point 87 (48/50) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -10.610 -0.000 -0.000) 10.610 1.849 ( -3.513 -0.000 -0.000) 3.513 1.947 ( -6.265 -0.000 -0.000) 6.265 1.955 ( -4.441 -0.000 -0.000) 4.441 2.077 ( -8.029 -0.000 -0.000) 8.029 2.166 ( -6.181 -0.000 -0.000) 6.181 2.214 ( 0.416 0.000 0.000) 0.416 2.223 ( -0.356 -0.000 -0.000) 0.356 2.363 ( -7.707 -0.000 -0.000) 7.707 2.544 ( -11.969 -0.000 -0.000) 11.969 2.622 ( -5.404 -0.000 -0.000) 5.404 2.706 ( -2.523 -0.000 -0.000) 2.523 2.735 ( 1.782 0.000 0.000) 1.782 2.809 ( -5.670 -0.000 -0.000) 5.670 2.896 ( -2.507 -0.000 -0.000) 2.507 2.964 ( 1.763 0.000 0.000) 1.763 3.114 ( -0.704 -0.000 -0.000) 0.704 3.204 ( 0.733 0.000 0.000) 0.733 3.908 ( 16.883 0.000 0.000) 16.883 4.345 ( -23.597 -0.000 -0.000) 23.597 4.478 ( -9.222 -0.000 -0.000) 9.222 5.362 ( 5.839 0.000 0.000) 5.839 5.439 ( -11.465 -0.000 -0.000) 11.465 5.762 ( 1.746 0.000 0.000) 1.746 5.940 ( -5.473 -0.000 -0.000) 5.473 6.028 ( -13.611 -0.000 -0.000) 13.611 6.164 ( -0.786 -0.000 -0.000) 0.786 6.281 ( 2.498 0.000 0.000) 2.498 6.316 ( 1.294 0.000 0.000) 1.294 6.751 ( -4.488 -0.000 -0.000) 4.488 6.793 ( 3.337 0.000 0.000) 3.337 6.936 ( -10.279 -0.000 -0.000) 10.279 6.965 ( 1.606 0.000 0.000) 1.606 7.069 ( 9.956 0.000 0.000) 9.956 7.139 ( 5.551 0.000 0.000) 5.551 7.476 ( 5.205 0.000 0.000) 5.205 7.616 ( -5.912 -0.000 -0.000) 5.912 7.671 ( 2.229 0.000 0.000) 2.229 11.462 ( 13.274 0.000 0.000) 13.274 12.148 ( 15.037 0.000 0.000) 15.037 12.585 ( -6.738 -0.000 -0.000) 6.738 13.112 ( -22.646 -0.000 -0.000) 22.646 14.114 ( -5.623 -0.000 -0.000) 5.623 14.782 ( -26.270 -0.000 -0.000) 26.270 14.892 ( 2.955 0.000 0.000) 2.955 15.814 ( 2.262 0.000 0.000) 2.262 16.213 ( -20.441 -0.000 -0.000) 20.441 16.293 ( 31.158 0.000 0.000) 31.158 17.073 ( -15.934 -0.000 -0.000) 15.934 17.563 ( -12.436 -0.000 -0.000) 12.436 17.606 ( 3.767 0.000 0.000) 3.767 17.867 ( -3.524 -0.000 -0.000) 3.524 18.000 ( 27.432 0.000 0.000) 27.432 18.892 ( -12.702 -0.000 -0.000) 12.702 19.287 ( -18.798 -0.000 -0.000) 18.798 19.814 ( 10.634 0.000 0.000) 10.634 19.903 ( -2.013 -0.000 -0.000) 2.013 20.011 ( -7.248 -0.000 -0.000) 7.248 20.077 ( -1.497 -0.000 -0.000) 1.497 20.461 ( 17.297 0.000 0.000) 17.297 20.806 ( 12.165 0.000 0.000) 12.165 20.877 ( -6.906 -0.000 -0.000) 6.906 20.887 ( 0.761 0.000 0.000) 0.761 21.891 ( -11.719 -0.000 -0.000) 11.719 22.324 ( 16.020 0.000 0.000) 16.020 22.396 ( 13.024 0.000 0.000) 13.024 22.761 ( 3.061 0.000 0.000) 3.061 23.019 ( -0.790 -0.000 -0.000) 0.790 23.060 ( 13.801 0.000 0.000) 13.801 23.075 ( 6.048 0.000 0.000) 6.048 23.492 ( 0.510 0.000 0.000) 0.510 23.510 ( -1.239 -0.000 -0.000) 1.239 23.668 ( -2.004 -0.000 -0.000) 2.004 23.737 ( -14.563 -0.000 -0.000) 14.563 23.920 ( -6.285 -0.000 -0.000) 6.285 24.199 ( -0.921 -0.000 -0.000) 0.921 24.587 ( -17.488 -0.000 -0.000) 17.488 24.693 ( -12.926 -0.000 -0.000) 12.926 25.495 ( 13.151 0.000 0.000) 13.151 25.593 ( 7.300 0.000 0.000) 7.300 25.775 ( 16.499 0.000 0.000) 16.499 26.239 ( 11.920 0.000 0.000) 11.920 26.872 ( 3.246 0.000 0.000) 3.246 27.285 ( 9.609 0.000 0.000) 9.609 27.674 ( 32.766 0.000 0.000) 32.766 28.051 ( -2.760 -0.000 -0.000) 2.760 28.163 ( -0.034 -0.000 -0.000) 0.034 28.302 ( -6.642 -0.000 -0.000) 6.642 29.006 ( -37.693 -0.000 -0.000) 37.693 29.415 ( -21.778 -0.000 -0.000) 21.778 30.058 ( 1.220 0.000 0.000) 1.220 30.065 ( 4.097 0.000 0.000) 4.097 31.270 ( -2.694 -0.000 -0.000) 2.694 31.327 ( -17.734 -0.000 -0.000) 17.734 31.643 ( 1.054 0.000 0.000) 1.054 31.907 ( -14.865 -0.000 -0.000) 14.865 31.996 ( 2.863 0.000 0.000) 2.863 32.298 ( -5.848 -0.000 -0.000) 5.848 32.574 ( 20.857 0.000 0.000) 20.857 32.985 ( 9.372 0.000 0.000) 9.372 33.311 ( 8.365 0.000 0.000) 8.365 33.544 ( 15.524 0.000 0.000) 15.524 33.752 ( -4.066 -0.000 -0.000) 4.066 33.808 ( 5.630 0.000 0.000) 5.630 34.224 ( 21.067 0.000 0.000) 21.067 34.479 ( 9.083 0.000 0.000) 9.083 35.378 ( 2.757 0.000 0.000) 2.757 35.517 ( 6.249 0.000 0.000) 6.249 35.633 ( -23.621 -0.000 -0.000) 23.621 37.188 ( -3.905 -0.000 -0.000) 3.905 38.387 ( 2.583 0.000 0.000) 2.583 38.391 ( 17.246 0.000 0.000) 17.246 38.547 ( -7.328 -0.000 -0.000) 7.328 39.275 ( -7.836 -0.000 -0.000) 7.836 39.740 ( 9.893 0.000 0.000) 9.893 40.240 ( 5.226 0.000 0.000) 5.226 41.499 ( 7.424 0.000 0.000) 7.424 ======================= Grid point 99 (49/50) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -7.057 -0.000 -0.000) 7.057 1.761 ( -4.450 -0.000 -0.000) 4.450 1.869 ( -2.553 -0.000 -0.000) 2.553 1.878 ( -3.101 -0.000 -0.000) 3.101 1.931 ( -6.014 -0.000 -0.000) 6.014 2.056 ( -4.647 -0.000 -0.000) 4.647 2.175 ( -6.151 -0.000 -0.000) 6.151 2.215 ( -6.128 -0.000 -0.000) 6.128 2.223 ( 0.347 0.000 0.000) 0.347 2.366 ( -2.223 -0.000 -0.000) 2.223 2.524 ( -5.657 -0.000 -0.000) 5.657 2.667 ( -1.519 -0.000 -0.000) 1.519 2.721 ( -3.145 -0.000 -0.000) 3.145 2.759 ( 0.813 0.000 0.000) 0.813 2.859 ( -1.214 -0.000 -0.000) 1.214 2.994 ( 1.159 0.000 0.000) 1.159 3.113 ( 0.604 0.000 0.000) 0.604 3.215 ( 0.381 0.000 0.000) 0.381 3.888 ( -20.564 -0.000 -0.000) 20.564 4.253 ( 17.112 0.000 0.000) 17.112 4.331 ( -5.465 -0.000 -0.000) 5.465 5.199 ( -12.603 -0.000 -0.000) 12.603 5.474 ( 5.079 0.000 0.000) 5.079 5.789 ( 0.887 0.000 0.000) 0.887 5.817 ( -8.113 -0.000 -0.000) 8.113 5.854 ( -3.160 -0.000 -0.000) 3.160 6.166 ( 0.669 0.000 0.000) 0.669 6.318 ( 1.254 0.000 0.000) 1.254 6.331 ( -0.223 -0.000 -0.000) 0.223 6.575 ( -7.416 -0.000 -0.000) 7.416 6.839 ( 1.663 0.000 0.000) 1.663 6.900 ( 1.043 0.000 0.000) 1.043 6.992 ( 1.052 0.000 0.000) 1.052 7.222 ( 5.585 0.000 0.000) 5.585 7.242 ( 4.262 0.000 0.000) 4.262 7.504 ( -5.033 -0.000 -0.000) 5.033 7.563 ( 3.435 0.000 0.000) 3.435 7.692 ( 0.289 0.000 0.000) 0.289 11.669 ( 7.625 0.000 0.000) 7.625 12.432 ( 13.095 0.000 0.000) 13.095 12.470 ( -4.595 -0.000 -0.000) 4.595 12.752 ( -13.592 -0.000 -0.000) 13.592 14.025 ( -3.182 -0.000 -0.000) 3.182 14.320 ( -19.858 -0.000 -0.000) 19.858 14.937 ( 1.630 0.000 0.000) 1.630 15.707 ( -26.412 -0.000 -0.000) 26.412 15.893 ( 5.466 0.000 0.000) 5.466 16.766 ( -14.347 -0.000 -0.000) 14.347 16.876 ( 27.058 0.000 0.000) 27.058 17.433 ( -2.549 -0.000 -0.000) 2.549 17.671 ( 2.578 0.000 0.000) 2.578 17.809 ( -2.252 -0.000 -0.000) 2.252 18.488 ( 21.237 0.000 0.000) 21.237 18.690 ( -7.580 -0.000 -0.000) 7.580 18.899 ( -19.749 -0.000 -0.000) 19.749 19.841 ( -4.871 -0.000 -0.000) 4.871 19.890 ( -4.304 -0.000 -0.000) 4.304 19.953 ( 3.292 0.000 0.000) 3.292 20.081 ( 1.954 0.000 0.000) 1.954 20.718 ( -7.755 -0.000 -0.000) 7.755 20.791 ( 15.868 0.000 0.000) 15.868 20.921 ( 2.147 0.000 0.000) 2.147 20.992 ( 6.594 0.000 0.000) 6.594 21.666 ( -11.348 -0.000 -0.000) 11.348 22.605 ( 8.029 0.000 0.000) 8.029 22.692 ( 20.759 0.000 0.000) 20.759 22.826 ( 3.142 0.000 0.000) 3.142 22.977 ( -1.499 -0.000 -0.000) 1.499 23.245 ( 9.880 0.000 0.000) 9.880 23.264 ( 5.789 0.000 0.000) 5.789 23.428 ( -9.172 -0.000 -0.000) 9.172 23.482 ( -1.399 -0.000 -0.000) 1.399 23.510 ( -6.391 -0.000 -0.000) 6.391 23.617 ( -1.783 -0.000 -0.000) 1.783 23.844 ( -2.620 -0.000 -0.000) 2.620 24.016 ( -15.866 -0.000 -0.000) 15.866 24.323 ( -8.994 -0.000 -0.000) 8.994 24.587 ( 0.774 0.000 0.000) 0.774 25.706 ( 4.493 0.000 0.000) 4.493 25.735 ( 10.367 0.000 0.000) 10.367 26.050 ( 10.783 0.000 0.000) 10.783 26.426 ( 6.907 0.000 0.000) 6.907 26.923 ( 1.846 0.000 0.000) 1.846 27.445 ( 7.461 0.000 0.000) 7.461 28.007 ( -1.600 -0.000 -0.000) 1.600 28.090 ( -12.024 -0.000 -0.000) 12.024 28.187 ( 1.684 0.000 0.000) 1.684 28.279 ( 21.040 0.000 0.000) 21.040 28.434 ( -15.719 -0.000 -0.000) 15.719 29.011 ( -18.986 -0.000 -0.000) 18.986 30.056 ( -1.427 -0.000 -0.000) 1.427 30.148 ( 3.885 0.000 0.000) 3.885 31.020 ( -12.023 -0.000 -0.000) 12.023 31.216 ( -2.287 -0.000 -0.000) 2.287 31.663 ( -9.619 -0.000 -0.000) 9.619 31.693 ( 3.012 0.000 0.000) 3.012 32.036 ( 1.328 0.000 0.000) 1.328 32.200 ( -3.859 -0.000 -0.000) 3.859 32.870 ( 8.671 0.000 0.000) 8.671 33.082 ( 2.330 0.000 0.000) 2.330 33.599 ( 19.650 0.000 0.000) 19.650 33.675 ( -1.917 -0.000 -0.000) 1.917 33.827 ( 11.374 0.000 0.000) 11.374 33.891 ( 2.951 0.000 0.000) 2.951 34.579 ( 13.982 0.000 0.000) 13.982 34.616 ( 4.728 0.000 0.000) 4.728 35.120 ( -27.860 -0.000 -0.000) 27.860 35.425 ( 1.842 0.000 0.000) 1.842 35.649 ( 6.403 0.000 0.000) 6.403 37.136 ( -1.641 -0.000 -0.000) 1.641 38.432 ( -4.260 -0.000 -0.000) 4.260 38.436 ( 2.159 0.000 0.000) 2.159 38.676 ( 11.155 0.000 0.000) 11.155 39.140 ( -5.491 -0.000 -0.000) 5.491 39.902 ( 6.288 0.000 0.000) 6.288 40.329 ( 3.528 0.000 0.000) 3.528 41.624 ( 4.978 0.000 0.000) 4.978 ======================= Grid point 111 (50/50) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.000 -0.000 0.000) 0.000 1.714 ( 0.000 -0.000 -0.000) 0.000 1.841 ( -0.000 0.000 0.000) 0.000 1.846 ( -0.000 -0.000 -0.000) 0.000 1.869 ( 0.000 -0.000 0.000) 0.000 2.007 ( -0.000 0.000 0.000) 0.000 2.089 ( -0.000 0.000 0.000) 0.000 2.155 ( -0.000 0.000 0.000) 0.000 2.227 ( -0.000 0.000 0.000) 0.000 2.410 ( 0.000 -0.000 0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.651 ( -0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 -0.000 0.000) 0.000 2.848 ( 0.000 -0.000 0.000) 0.000 3.005 ( -0.000 -0.000 0.000) 0.000 3.125 ( -0.000 0.000 0.000) 0.000 3.218 ( -0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 -0.000 0.000) 0.000 5.529 ( -0.000 -0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.797 ( -0.000 0.000 0.000) 0.000 5.823 ( 0.000 -0.000 -0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 -0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.857 ( -0.000 -0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 -0.000 0.000) 0.000 7.277 ( 0.000 -0.000 0.000) 0.000 7.285 ( -0.000 0.000 0.000) 0.000 7.449 ( -0.000 -0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 -0.000 0.000) 0.000 12.423 ( -0.000 0.000 0.000) 0.000 12.578 ( -0.000 0.000 0.000) 0.000 12.616 ( 0.000 -0.000 0.000) 0.000 14.000 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 -0.000 0.000) 0.000 14.953 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.967 ( -0.000 0.000 0.000) 0.000 16.603 ( -0.000 -0.000 0.000) 0.000 17.187 ( -0.000 -0.000 0.000) 0.000 17.414 ( -0.000 -0.000 0.000) 0.000 17.697 ( -0.000 0.000 0.000) 0.000 17.786 ( 0.000 0.000 0.000) 0.000 18.615 ( -0.000 0.000 0.000) 0.000 18.661 ( 0.000 0.000 0.000) 0.000 18.721 ( -0.000 0.000 0.000) 0.000 19.766 ( -0.000 -0.000 0.000) 0.000 19.854 ( -0.000 -0.000 0.000) 0.000 19.975 ( 0.000 -0.000 0.000) 0.000 20.111 ( -0.000 0.000 -0.000) 0.000 20.635 ( 0.000 0.000 0.000) 0.000 20.946 ( 0.000 -0.000 0.000) 0.000 20.984 ( 0.000 -0.000 0.000) 0.000 21.056 ( 0.000 0.000 0.000) 0.000 21.519 ( 0.000 -0.000 0.000) 0.000 22.686 ( 0.000 0.000 0.000) 0.000 22.860 ( -0.000 0.000 0.000) 0.000 22.964 ( 0.000 -0.000 0.000) 0.000 23.018 ( 0.000 -0.000 0.000) 0.000 23.209 ( -0.000 0.000 0.000) 0.000 23.292 ( -0.000 0.000 -0.000) 0.000 23.391 ( -0.000 0.000 0.000) 0.000 23.467 ( -0.000 -0.000 -0.000) 0.000 23.478 ( 0.000 0.000 0.000) 0.000 23.606 ( -0.000 -0.000 0.000) 0.000 23.793 ( 0.000 0.000 0.000) 0.000 23.817 ( 0.000 0.000 -0.000) 0.000 24.240 ( -0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 25.755 ( 0.000 0.000 0.000) 0.000 25.845 ( -0.000 0.000 0.000) 0.000 26.159 ( 0.000 -0.000 0.000) 0.000 26.494 ( -0.000 0.000 0.000) 0.000 26.940 ( -0.000 0.000 0.000) 0.000 27.559 ( 0.000 -0.000 0.000) 0.000 27.854 ( 0.000 0.000 0.000) 0.000 27.992 ( -0.000 -0.000 0.000) 0.000 28.178 ( 0.000 -0.000 0.000) 0.000 28.341 ( 0.000 0.000 0.000) 0.000 28.594 ( 0.000 -0.000 0.000) 0.000 28.744 ( -0.000 0.000 0.000) 0.000 30.032 ( 0.000 -0.000 0.000) 0.000 30.191 ( 0.000 0.000 0.000) 0.000 30.902 ( 0.000 -0.000 0.000) 0.000 31.193 ( 0.000 -0.000 0.000) 0.000 31.564 ( -0.000 -0.000 0.000) 0.000 31.727 ( 0.000 -0.000 0.000) 0.000 32.049 ( 0.000 -0.000 0.000) 0.000 32.161 ( -0.000 0.000 0.000) 0.000 32.944 ( -0.000 -0.000 0.000) 0.000 33.103 ( 0.000 0.000 0.000) 0.000 33.626 ( 0.000 -0.000 0.000) 0.000 33.920 ( 0.000 -0.000 0.000) 0.000 33.931 ( 0.000 -0.000 0.000) 0.000 33.941 ( 0.000 0.000 0.000) 0.000 34.661 ( 0.000 0.000 0.000) 0.000 34.720 ( 0.000 -0.000 0.000) 0.000 34.744 ( -0.000 -0.000 0.000) 0.000 35.443 ( -0.000 -0.000 0.000) 0.000 35.719 ( 0.000 0.000 0.000) 0.000 37.120 ( 0.000 0.000 0.000) 0.000 38.390 ( -0.000 0.000 0.000) 0.000 38.459 ( 0.000 -0.000 0.000) 0.000 38.790 ( 0.000 -0.000 0.000) 0.000 39.083 ( -0.000 0.000 0.000) 0.000 39.966 ( 0.000 -0.000 0.000) 0.000 40.365 ( 0.000 -0.000 0.000) 0.000 41.675 ( 0.000 0.000 0.000) 0.000 =================== 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 3/25272 10.0 1070.118 397.308 339.216 -0.000 0.000 0.000 3/25272 20.0 338.607 114.961 123.380 -0.000 0.000 0.000 3/25272 30.0 182.001 69.138 67.432 -0.000 0.000 0.000 3/25272 40.0 121.643 47.861 44.459 -0.000 0.000 0.000 3/25272 50.0 88.398 35.325 31.855 -0.000 0.000 0.000 3/25272 60.0 67.808 27.329 24.146 -0.000 0.000 0.000 3/25272 70.0 54.248 21.976 19.125 -0.000 0.000 0.000 3/25272 80.0 44.855 18.230 15.681 -0.000 0.000 0.000 3/25272 90.0 38.045 15.496 13.207 -0.000 0.000 0.000 3/25272 100.0 32.907 13.423 11.356 -0.000 0.000 0.000 3/25272 110.0 28.896 11.798 9.923 -0.000 0.000 0.000 3/25272 120.0 25.675 10.490 8.782 -0.000 0.000 0.000 3/25272 130.0 23.030 9.413 7.852 -0.000 0.000 0.000 3/25272 140.0 20.817 8.512 7.080 -0.000 0.000 0.000 3/25272 150.0 18.939 7.747 6.429 -0.000 0.000 0.000 3/25272 160.0 17.326 7.090 5.874 -0.000 0.000 0.000 3/25272 170.0 15.927 6.521 5.396 -0.000 0.000 0.000 3/25272 180.0 14.704 6.024 4.980 -0.000 0.000 0.000 3/25272 190.0 13.628 5.588 4.617 -0.000 0.000 0.000 3/25272 200.0 12.675 5.202 4.296 -0.000 0.000 0.000 3/25272 210.0 11.827 4.859 4.012 -0.000 0.000 0.000 3/25272 220.0 11.069 4.554 3.758 -0.000 0.000 0.000 3/25272 230.0 10.389 4.280 3.532 -0.000 0.000 0.000 3/25272 240.0 9.776 4.033 3.328 -0.000 0.000 0.000 3/25272 250.0 9.222 3.810 3.144 -0.000 0.000 0.000 3/25272 260.0 8.720 3.608 2.978 -0.000 0.000 0.000 3/25272 270.0 8.263 3.424 2.827 -0.000 0.000 0.000 3/25272 280.0 7.846 3.257 2.689 -0.000 0.000 0.000 3/25272 290.0 7.465 3.104 2.562 -0.000 0.000 0.000 3/25272 300.0 7.116 2.963 2.447 -0.000 0.000 0.000 3/25272 310.0 6.795 2.834 2.340 -0.000 0.000 0.000 3/25272 320.0 6.499 2.715 2.242 -0.000 0.000 0.000 3/25272 330.0 6.225 2.604 2.151 -0.000 0.000 0.000 3/25272 340.0 5.973 2.502 2.067 -0.000 0.000 0.000 3/25272 350.0 5.738 2.408 1.989 -0.000 0.000 0.000 3/25272 360.0 5.520 2.319 1.917 -0.000 0.000 0.000 3/25272 370.0 5.318 2.237 1.849 -0.000 0.000 0.000 3/25272 380.0 5.129 2.160 1.786 -0.000 0.000 0.000 3/25272 390.0 4.952 2.088 1.727 -0.000 0.000 0.000 3/25272 400.0 4.786 2.021 1.671 -0.000 0.000 0.000 3/25272 410.0 4.631 1.958 1.619 -0.000 0.000 0.000 3/25272 420.0 4.486 1.898 1.570 -0.000 0.000 0.000 3/25272 430.0 4.349 1.842 1.524 -0.000 0.000 0.000 3/25272 440.0 4.220 1.789 1.480 -0.000 0.000 0.000 3/25272 450.0 4.098 1.739 1.439 -0.000 0.000 0.000 3/25272 460.0 3.983 1.692 1.400 -0.000 0.000 0.000 3/25272 470.0 3.874 1.647 1.363 -0.000 0.000 0.000 3/25272 480.0 3.772 1.605 1.328 -0.000 0.000 0.000 3/25272 490.0 3.674 1.564 1.295 -0.000 0.000 0.000 3/25272 500.0 3.581 1.526 1.264 -0.000 0.000 0.000 3/25272 510.0 3.493 1.490 1.233 -0.000 0.000 0.000 3/25272 520.0 3.409 1.455 1.205 -0.000 0.000 0.000 3/25272 530.0 3.329 1.422 1.177 -0.000 0.000 0.000 3/25272 540.0 3.253 1.390 1.151 -0.000 0.000 0.000 3/25272 550.0 3.180 1.360 1.126 -0.000 0.000 0.000 3/25272 560.0 3.111 1.331 1.102 -0.000 0.000 0.000 3/25272 570.0 3.044 1.303 1.080 -0.000 0.000 0.000 3/25272 580.0 2.981 1.276 1.058 -0.000 0.000 0.000 3/25272 590.0 2.920 1.251 1.037 -0.000 0.000 0.000 3/25272 600.0 2.861 1.226 1.016 -0.000 0.000 0.000 3/25272 610.0 2.805 1.203 0.997 -0.000 0.000 0.000 3/25272 620.0 2.751 1.180 0.978 -0.000 0.000 0.000 3/25272 630.0 2.699 1.158 0.960 -0.000 0.000 0.000 3/25272 640.0 2.649 1.137 0.943 -0.000 0.000 0.000 3/25272 650.0 2.601 1.117 0.926 -0.000 0.000 0.000 3/25272 660.0 2.555 1.098 0.910 -0.000 0.000 0.000 3/25272 670.0 2.511 1.079 0.895 -0.000 0.000 0.000 3/25272 680.0 2.468 1.061 0.880 -0.000 0.000 0.000 3/25272 690.0 2.426 1.043 0.865 -0.000 0.000 0.000 3/25272 700.0 2.386 1.026 0.851 -0.000 0.000 0.000 3/25272 710.0 2.347 1.010 0.838 -0.000 0.000 0.000 3/25272 720.0 2.310 0.994 0.825 -0.000 0.000 0.000 3/25272 730.0 2.273 0.979 0.812 -0.000 0.000 0.000 3/25272 740.0 2.238 0.964 0.800 -0.000 0.000 0.000 3/25272 750.0 2.204 0.949 0.788 -0.000 0.000 0.000 3/25272 760.0 2.171 0.935 0.776 -0.000 0.000 0.000 3/25272 770.0 2.139 0.922 0.765 -0.000 0.000 0.000 3/25272 780.0 2.108 0.909 0.754 -0.000 0.000 0.000 3/25272 790.0 2.078 0.896 0.743 -0.000 0.000 0.000 3/25272 800.0 2.049 0.883 0.733 -0.000 0.000 0.000 3/25272 810.0 2.021 0.871 0.723 -0.000 0.000 0.000 3/25272 820.0 1.993 0.859 0.713 -0.000 0.000 0.000 3/25272 830.0 1.966 0.848 0.704 -0.000 0.000 0.000 3/25272 840.0 1.940 0.837 0.695 -0.000 0.000 0.000 3/25272 850.0 1.915 0.826 0.686 -0.000 0.000 0.000 3/25272 860.0 1.890 0.816 0.677 -0.000 0.000 0.000 3/25272 870.0 1.866 0.805 0.669 -0.000 0.000 0.000 3/25272 880.0 1.843 0.795 0.660 -0.000 0.000 0.000 3/25272 890.0 1.820 0.786 0.652 -0.000 0.000 0.000 3/25272 900.0 1.798 0.776 0.644 -0.000 0.000 0.000 3/25272 910.0 1.776 0.767 0.637 -0.000 0.000 0.000 3/25272 920.0 1.755 0.758 0.629 -0.000 0.000 0.000 3/25272 930.0 1.734 0.749 0.622 -0.000 0.000 0.000 3/25272 940.0 1.714 0.740 0.615 -0.000 0.000 0.000 3/25272 950.0 1.694 0.732 0.608 -0.000 0.000 0.000 3/25272 960.0 1.675 0.724 0.601 -0.000 0.000 0.000 3/25272 970.0 1.656 0.716 0.594 -0.000 0.000 0.000 3/25272 980.0 1.638 0.708 0.588 -0.000 0.000 0.000 3/25272 990.0 1.620 0.700 0.581 -0.000 0.000 0.000 3/25272 1000.0 1.603 0.693 0.575 -0.000 0.000 0.000 3/25272 Thermal conductivity related properties were written into "kappa-m1372.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:12:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|