----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:47:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.064943910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): *1 Ba 0.92890556220553 0.76932234670416 0.25000000000000 137.327 2 Ba 0.07109443779447 0.26932234670416 0.25000000000000 137.327 3 Ba 0.92890556220553 0.73067765329584 0.75000000000000 137.327 4 Ba 0.07109443779447 0.23067765329584 0.75000000000000 137.327 *5 Cu 0.48872084559450 0.29147303704275 0.37439564106615 63.546 *6 Cu 0.44421483390643 0.59144761506704 0.45342464872754 63.546 7 Cu 0.48872084559450 0.20852696295725 0.87439564106615 63.546 *8 Cu 0.94904582566442 0.50238644616383 0.37075130675379 63.546 9 Cu 0.48872084559450 0.29147303704275 0.12560435893385 63.546 10 Cu 0.55578516609357 0.40855238493296 0.95342464872754 63.546 11 Cu 0.94904582566442 0.99761355383617 0.87075130675379 63.546 12 Cu 0.05095417433559 0.49761355383617 0.87075130675379 63.546 13 Cu 0.44421483390643 0.90855238493296 0.95342464872754 63.546 14 Cu 0.51127915440550 0.70852696295725 0.62560435893385 63.546 15 Cu 0.55578516609357 0.09144761506704 0.45342464872754 63.546 16 Cu 0.55578516609357 0.40855238493296 0.54657535127246 63.546 17 Cu 0.05095417433559 0.00238644616383 0.12924869324621 63.546 18 Cu 0.44421483390643 0.59144761506704 0.04657535127246 63.546 19 Cu 0.51127915440550 0.70852696295725 0.87439564106615 63.546 20 Cu 0.44421483390643 0.90855238493296 0.54657535127246 63.546 21 Cu 0.05095417433559 0.49761355383617 0.62924869324621 63.546 22 Cu 0.94904582566442 0.99761355383617 0.62924869324621 63.546 23 Cu 0.94904582566442 0.50238644616383 0.12924869324621 63.546 24 Cu 0.51127915440550 0.79147303704275 0.37439564106615 63.546 25 Cu 0.51127915440550 0.79147303704275 0.12560435893385 63.546 26 Cu 0.05095417433559 0.00238644616383 0.37075130675379 63.546 27 Cu 0.48872084559450 0.20852696295725 0.62560435893385 63.546 28 Cu 0.55578516609357 0.09144761506704 0.04657535127246 63.546 *29 Ge 0.54582783283904 0.45942221610692 0.75000000000000 72.640 30 Ge 0.54582783283904 0.04057778389308 0.25000000000000 72.640 31 Ge 0.45417216716096 0.95942221610692 0.75000000000000 72.640 *32 Ge 0.99444401953436 0.75000000000000 0.50000000000000 72.640 33 Ge 0.45417216716096 0.54057778389308 0.25000000000000 72.640 34 Ge 0.99444401953436 0.75000000000000 0.00000000000000 72.640 35 Ge 0.00555598046564 0.25000000000000 0.50000000000000 72.640 36 Ge 0.00555598046564 0.25000000000000 0.00000000000000 72.640 *37 S 0.23143384513988 0.87014087951823 0.05661584590452 32.065 38 S 0.76856615486012 0.37014087951823 0.44338415409548 32.065 *39 S 0.22787173876780 0.33717865592490 0.91577010748308 32.065 *40 S 0.81002513938968 0.50041910421841 0.25000000000000 32.065 41 S 0.22787173876780 0.33717865592490 0.58422989251692 32.065 *42 S 0.68818884229798 0.52965717350504 0.86156607210300 32.065 43 S 0.22787173876780 0.16282134407510 0.41577010748308 32.065 44 S 0.81002513938968 0.99958089578159 0.75000000000000 32.065 45 S 0.18997486061032 0.00041910421842 0.25000000000000 32.065 46 S 0.68818884229798 0.97034282649496 0.13843392789699 32.065 47 S 0.76856615486012 0.12985912048177 0.55661584590452 32.065 *48 S 0.57976185770211 0.22901777852301 0.25000000000000 32.065 49 S 0.68818884229798 0.97034282649496 0.36156607210301 32.065 50 S 0.23143384513988 0.87014087951823 0.44338415409548 32.065 51 S 0.57976185770211 0.27098222147699 0.75000000000000 32.065 52 S 0.31181115770202 0.02965717350504 0.86156607210300 32.065 53 S 0.23143384513988 0.62985912048177 0.94338415409548 32.065 54 S 0.77212826123220 0.66282134407510 0.08422989251692 32.065 55 S 0.42023814229789 0.72901777852301 0.25000000000000 32.065 56 S 0.77212826123220 0.83717865592490 0.58422989251692 32.065 57 S 0.18997486061032 0.49958089578158 0.75000000000000 32.065 58 S 0.42023814229789 0.77098222147699 0.75000000000000 32.065 59 S 0.77212826123220 0.83717865592490 0.91577010748308 32.065 60 S 0.76856615486012 0.12985912048177 0.94338415409548 32.065 61 S 0.23143384513988 0.62985912048177 0.55661584590452 32.065 62 S 0.76856615486012 0.37014087951823 0.05661584590452 32.065 63 S 0.31181115770202 0.47034282649496 0.13843392789699 32.065 64 S 0.31181115770202 0.02965717350504 0.63843392789700 32.065 65 S 0.31181115770202 0.47034282649496 0.36156607210301 32.065 66 S 0.68818884229798 0.52965717350504 0.63843392789700 32.065 67 S 0.22787173876780 0.16282134407510 0.08422989251692 32.065 68 S 0.77212826123220 0.66282134407510 0.41577010748308 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.064943910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): *1 Ba 0.92890556220553 0.76932234670416 0.25000000000000 137.327 > 1 2 Ba 0.07109443779447 0.26932234670416 0.25000000000000 137.327 > 2 3 Ba 0.92890556220553 0.73067765329584 0.75000000000000 137.327 > 3 4 Ba 0.07109443779447 0.23067765329584 0.75000000000000 137.327 > 4 *5 Cu 0.48872084559450 0.29147303704275 0.37439564106615 63.546 > 5 *6 Cu 0.44421483390643 0.59144761506704 0.45342464872754 63.546 > 6 7 Cu 0.48872084559450 0.20852696295725 0.87439564106615 63.546 > 7 *8 Cu 0.94904582566442 0.50238644616383 0.37075130675379 63.546 > 8 9 Cu 0.48872084559450 0.29147303704275 0.12560435893385 63.546 > 9 10 Cu 0.55578516609357 0.40855238493296 0.95342464872754 63.546 > 10 11 Cu 0.94904582566442 0.99761355383617 0.87075130675379 63.546 > 11 12 Cu 0.05095417433559 0.49761355383617 0.87075130675379 63.546 > 12 13 Cu 0.44421483390643 0.90855238493296 0.95342464872754 63.546 > 13 14 Cu 0.51127915440550 0.70852696295725 0.62560435893385 63.546 > 14 15 Cu 0.55578516609357 0.09144761506704 0.45342464872754 63.546 > 15 16 Cu 0.55578516609357 0.40855238493296 0.54657535127246 63.546 > 16 17 Cu 0.05095417433559 0.00238644616383 0.12924869324621 63.546 > 17 18 Cu 0.44421483390643 0.59144761506704 0.04657535127246 63.546 > 18 19 Cu 0.51127915440550 0.70852696295725 0.87439564106615 63.546 > 19 20 Cu 0.44421483390643 0.90855238493296 0.54657535127246 63.546 > 20 21 Cu 0.05095417433559 0.49761355383617 0.62924869324621 63.546 > 21 22 Cu 0.94904582566442 0.99761355383617 0.62924869324621 63.546 > 22 23 Cu 0.94904582566442 0.50238644616383 0.12924869324621 63.546 > 23 24 Cu 0.51127915440550 0.79147303704275 0.37439564106615 63.546 > 24 25 Cu 0.51127915440550 0.79147303704275 0.12560435893385 63.546 > 25 26 Cu 0.05095417433559 0.00238644616383 0.37075130675379 63.546 > 26 27 Cu 0.48872084559450 0.20852696295725 0.62560435893385 63.546 > 27 28 Cu 0.55578516609357 0.09144761506704 0.04657535127246 63.546 > 28 *29 Ge 0.54582783283904 0.45942221610692 0.75000000000000 72.640 > 29 30 Ge 0.54582783283904 0.04057778389308 0.25000000000000 72.640 > 30 31 Ge 0.45417216716096 0.95942221610692 0.75000000000000 72.640 > 31 *32 Ge 0.99444401953436 0.75000000000000 0.50000000000000 72.640 > 32 33 Ge 0.45417216716096 0.54057778389308 0.25000000000000 72.640 > 33 34 Ge 0.99444401953436 0.75000000000000 0.00000000000000 72.640 > 34 35 Ge 0.00555598046564 0.25000000000000 0.50000000000000 72.640 > 35 36 Ge 0.00555598046564 0.25000000000000 0.00000000000000 72.640 > 36 *37 S 0.23143384513988 0.87014087951823 0.05661584590452 32.065 > 37 38 S 0.76856615486012 0.37014087951823 0.44338415409548 32.065 > 38 *39 S 0.22787173876780 0.33717865592490 0.91577010748308 32.065 > 39 *40 S 0.81002513938968 0.50041910421841 0.25000000000000 32.065 > 40 41 S 0.22787173876780 0.33717865592490 0.58422989251692 32.065 > 41 *42 S 0.68818884229798 0.52965717350504 0.86156607210300 32.065 > 42 43 S 0.22787173876780 0.16282134407510 0.41577010748308 32.065 > 43 44 S 0.81002513938968 0.99958089578159 0.75000000000000 32.065 > 44 45 S 0.18997486061032 0.00041910421842 0.25000000000000 32.065 > 45 46 S 0.68818884229798 0.97034282649496 0.13843392789699 32.065 > 46 47 S 0.76856615486012 0.12985912048177 0.55661584590452 32.065 > 47 *48 S 0.57976185770211 0.22901777852301 0.25000000000000 32.065 > 48 49 S 0.68818884229798 0.97034282649496 0.36156607210301 32.065 > 49 50 S 0.23143384513988 0.87014087951823 0.44338415409548 32.065 > 50 51 S 0.57976185770211 0.27098222147699 0.75000000000000 32.065 > 51 52 S 0.31181115770202 0.02965717350504 0.86156607210300 32.065 > 52 53 S 0.23143384513988 0.62985912048177 0.94338415409548 32.065 > 53 54 S 0.77212826123220 0.66282134407510 0.08422989251692 32.065 > 54 55 S 0.42023814229789 0.72901777852301 0.25000000000000 32.065 > 55 56 S 0.77212826123220 0.83717865592490 0.58422989251692 32.065 > 56 57 S 0.18997486061032 0.49958089578158 0.75000000000000 32.065 > 57 58 S 0.42023814229789 0.77098222147699 0.75000000000000 32.065 > 58 59 S 0.77212826123220 0.83717865592490 0.91577010748308 32.065 > 59 60 S 0.76856615486012 0.12985912048177 0.94338415409548 32.065 > 60 61 S 0.23143384513988 0.62985912048177 0.55661584590452 32.065 > 61 62 S 0.76856615486012 0.37014087951823 0.05661584590452 32.065 > 62 63 S 0.31181115770202 0.47034282649496 0.13843392789699 32.065 > 63 64 S 0.31181115770202 0.02965717350504 0.63843392789700 32.065 > 64 65 S 0.31181115770202 0.47034282649496 0.36156607210301 32.065 > 65 66 S 0.68818884229798 0.52965717350504 0.63843392789700 32.065 > 66 67 S 0.22787173876780 0.16282134407510 0.08422989251692 32.065 > 67 68 S 0.77212826123220 0.66282134407510 0.41577010748308 32.065 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.129887820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): *1 Ba 0.46445278110277 0.76932234670416 0.25000000000000 137.327 > 1 2 Ba 0.96445278110277 0.76932234670416 0.25000000000000 137.327 > 1 3 Ba 0.03554721889723 0.26932234670416 0.25000000000000 137.327 > 2 4 Ba 0.53554721889723 0.26932234670416 0.25000000000000 137.327 > 2 5 Ba 0.46445278110277 0.73067765329584 0.75000000000000 137.327 > 3 6 Ba 0.96445278110277 0.73067765329584 0.75000000000000 137.327 > 3 7 Ba 0.03554721889723 0.23067765329584 0.75000000000000 137.327 > 4 8 Ba 0.53554721889723 0.23067765329584 0.75000000000000 137.327 > 4 *9 Cu 0.24436042279725 0.29147303704275 0.37439564106615 63.546 > 5 10 Cu 0.74436042279725 0.29147303704275 0.37439564106615 63.546 > 5 *11 Cu 0.22210741695322 0.59144761506704 0.45342464872754 63.546 > 6 12 Cu 0.72210741695322 0.59144761506704 0.45342464872754 63.546 > 6 13 Cu 0.24436042279725 0.20852696295725 0.87439564106615 63.546 > 7 14 Cu 0.74436042279725 0.20852696295725 0.87439564106615 63.546 > 7 *15 Cu 0.47452291283221 0.50238644616383 0.37075130675379 63.546 > 8 16 Cu 0.97452291283221 0.50238644616383 0.37075130675379 63.546 > 8 17 Cu 0.24436042279725 0.29147303704275 0.12560435893385 63.546 > 9 18 Cu 0.74436042279725 0.29147303704275 0.12560435893385 63.546 > 9 19 Cu 0.27789258304678 0.40855238493296 0.95342464872754 63.546 > 10 20 Cu 0.77789258304678 0.40855238493296 0.95342464872754 63.546 > 10 21 Cu 0.47452291283221 0.99761355383617 0.87075130675379 63.546 > 11 22 Cu 0.97452291283221 0.99761355383617 0.87075130675379 63.546 > 11 23 Cu 0.02547708716779 0.49761355383617 0.87075130675379 63.546 > 12 24 Cu 0.52547708716779 0.49761355383617 0.87075130675379 63.546 > 12 25 Cu 0.22210741695322 0.90855238493296 0.95342464872754 63.546 > 13 26 Cu 0.72210741695322 0.90855238493296 0.95342464872754 63.546 > 13 27 Cu 0.25563957720275 0.70852696295725 0.62560435893385 63.546 > 14 28 Cu 0.75563957720275 0.70852696295725 0.62560435893385 63.546 > 14 29 Cu 0.27789258304678 0.09144761506704 0.45342464872754 63.546 > 15 30 Cu 0.77789258304678 0.09144761506704 0.45342464872754 63.546 > 15 31 Cu 0.27789258304678 0.40855238493296 0.54657535127246 63.546 > 16 32 Cu 0.77789258304678 0.40855238493296 0.54657535127246 63.546 > 16 33 Cu 0.02547708716779 0.00238644616383 0.12924869324621 63.546 > 17 34 Cu 0.52547708716779 0.00238644616383 0.12924869324621 63.546 > 17 35 Cu 0.22210741695322 0.59144761506704 0.04657535127246 63.546 > 18 36 Cu 0.72210741695322 0.59144761506704 0.04657535127246 63.546 > 18 37 Cu 0.25563957720275 0.70852696295725 0.87439564106615 63.546 > 19 38 Cu 0.75563957720275 0.70852696295725 0.87439564106615 63.546 > 19 39 Cu 0.22210741695322 0.90855238493296 0.54657535127246 63.546 > 20 40 Cu 0.72210741695322 0.90855238493296 0.54657535127246 63.546 > 20 41 Cu 0.02547708716779 0.49761355383617 0.62924869324621 63.546 > 21 42 Cu 0.52547708716779 0.49761355383617 0.62924869324621 63.546 > 21 43 Cu 0.47452291283221 0.99761355383617 0.62924869324621 63.546 > 22 44 Cu 0.97452291283221 0.99761355383617 0.62924869324621 63.546 > 22 45 Cu 0.47452291283221 0.50238644616383 0.12924869324621 63.546 > 23 46 Cu 0.97452291283221 0.50238644616383 0.12924869324621 63.546 > 23 47 Cu 0.25563957720275 0.79147303704275 0.37439564106615 63.546 > 24 48 Cu 0.75563957720275 0.79147303704275 0.37439564106615 63.546 > 24 49 Cu 0.25563957720275 0.79147303704275 0.12560435893385 63.546 > 25 50 Cu 0.75563957720275 0.79147303704275 0.12560435893385 63.546 > 25 51 Cu 0.02547708716779 0.00238644616383 0.37075130675379 63.546 > 26 52 Cu 0.52547708716779 0.00238644616383 0.37075130675379 63.546 > 26 53 Cu 0.24436042279725 0.20852696295725 0.62560435893385 63.546 > 27 54 Cu 0.74436042279725 0.20852696295725 0.62560435893385 63.546 > 27 55 Cu 0.27789258304678 0.09144761506704 0.04657535127246 63.546 > 28 56 Cu 0.77789258304678 0.09144761506704 0.04657535127246 63.546 > 28 *57 Ge 0.27291391641952 0.45942221610692 0.75000000000000 72.640 > 29 58 Ge 0.77291391641952 0.45942221610692 0.75000000000000 72.640 > 29 59 Ge 0.27291391641952 0.04057778389308 0.25000000000000 72.640 > 30 60 Ge 0.77291391641952 0.04057778389308 0.25000000000000 72.640 > 30 61 Ge 0.22708608358048 0.95942221610692 0.75000000000000 72.640 > 31 62 Ge 0.72708608358048 0.95942221610692 0.75000000000000 72.640 > 31 *63 Ge 0.49722200976718 0.75000000000000 0.50000000000000 72.640 > 32 64 Ge 0.99722200976718 0.75000000000000 0.50000000000000 72.640 > 32 65 Ge 0.22708608358048 0.54057778389308 0.25000000000000 72.640 > 33 66 Ge 0.72708608358048 0.54057778389308 0.25000000000000 72.640 > 33 67 Ge 0.49722200976718 0.75000000000000 0.00000000000000 72.640 > 34 68 Ge 0.99722200976718 0.75000000000000 0.00000000000000 72.640 > 34 69 Ge 0.00277799023282 0.25000000000000 0.50000000000000 72.640 > 35 70 Ge 0.50277799023282 0.25000000000000 0.50000000000000 72.640 > 35 71 Ge 0.00277799023282 0.25000000000000 0.00000000000000 72.640 > 36 72 Ge 0.50277799023282 0.25000000000000 0.00000000000000 72.640 > 36 *73 S 0.11571692256994 0.87014087951823 0.05661584590452 32.065 > 37 74 S 0.61571692256994 0.87014087951823 0.05661584590452 32.065 > 37 75 S 0.38428307743006 0.37014087951823 0.44338415409548 32.065 > 38 76 S 0.88428307743006 0.37014087951823 0.44338415409548 32.065 > 38 *77 S 0.11393586938390 0.33717865592490 0.91577010748308 32.065 > 39 78 S 0.61393586938390 0.33717865592490 0.91577010748308 32.065 > 39 *79 S 0.40501256969484 0.50041910421841 0.25000000000000 32.065 > 40 80 S 0.90501256969484 0.50041910421841 0.25000000000000 32.065 > 40 81 S 0.11393586938390 0.33717865592490 0.58422989251692 32.065 > 41 82 S 0.61393586938390 0.33717865592490 0.58422989251692 32.065 > 41 *83 S 0.34409442114899 0.52965717350504 0.86156607210300 32.065 > 42 84 S 0.84409442114899 0.52965717350504 0.86156607210300 32.065 > 42 85 S 0.11393586938390 0.16282134407510 0.41577010748308 32.065 > 43 86 S 0.61393586938390 0.16282134407510 0.41577010748308 32.065 > 43 87 S 0.40501256969484 0.99958089578159 0.75000000000000 32.065 > 44 88 S 0.90501256969484 0.99958089578159 0.75000000000000 32.065 > 44 89 S 0.09498743030516 0.00041910421842 0.25000000000000 32.065 > 45 90 S 0.59498743030516 0.00041910421842 0.25000000000000 32.065 > 45 91 S 0.34409442114899 0.97034282649496 0.13843392789699 32.065 > 46 92 S 0.84409442114899 0.97034282649496 0.13843392789699 32.065 > 46 93 S 0.38428307743006 0.12985912048177 0.55661584590452 32.065 > 47 94 S 0.88428307743006 0.12985912048177 0.55661584590452 32.065 > 47 *95 S 0.28988092885106 0.22901777852301 0.25000000000000 32.065 > 48 96 S 0.78988092885106 0.22901777852301 0.25000000000000 32.065 > 48 97 S 0.34409442114899 0.97034282649496 0.36156607210301 32.065 > 49 98 S 0.84409442114899 0.97034282649496 0.36156607210301 32.065 > 49 99 S 0.11571692256994 0.87014087951823 0.44338415409548 32.065 > 50 100 S 0.61571692256994 0.87014087951823 0.44338415409548 32.065 > 50 101 S 0.28988092885106 0.27098222147699 0.75000000000000 32.065 > 51 102 S 0.78988092885106 0.27098222147699 0.75000000000000 32.065 > 51 103 S 0.15590557885101 0.02965717350504 0.86156607210300 32.065 > 52 104 S 0.65590557885101 0.02965717350504 0.86156607210300 32.065 > 52 105 S 0.11571692256994 0.62985912048177 0.94338415409548 32.065 > 53 106 S 0.61571692256994 0.62985912048177 0.94338415409548 32.065 > 53 107 S 0.38606413061610 0.66282134407510 0.08422989251692 32.065 > 54 108 S 0.88606413061610 0.66282134407510 0.08422989251692 32.065 > 54 109 S 0.21011907114894 0.72901777852301 0.25000000000000 32.065 > 55 110 S 0.71011907114894 0.72901777852301 0.25000000000000 32.065 > 55 111 S 0.38606413061610 0.83717865592490 0.58422989251692 32.065 > 56 112 S 0.88606413061610 0.83717865592490 0.58422989251692 32.065 > 56 113 S 0.09498743030516 0.49958089578158 0.75000000000000 32.065 > 57 114 S 0.59498743030516 0.49958089578158 0.75000000000000 32.065 > 57 115 S 0.21011907114894 0.77098222147699 0.75000000000000 32.065 > 58 116 S 0.71011907114894 0.77098222147699 0.75000000000000 32.065 > 58 117 S 0.38606413061610 0.83717865592490 0.91577010748308 32.065 > 59 118 S 0.88606413061610 0.83717865592490 0.91577010748308 32.065 > 59 119 S 0.38428307743006 0.12985912048177 0.94338415409548 32.065 > 60 120 S 0.88428307743006 0.12985912048177 0.94338415409548 32.065 > 60 121 S 0.11571692256994 0.62985912048177 0.55661584590452 32.065 > 61 122 S 0.61571692256994 0.62985912048177 0.55661584590452 32.065 > 61 123 S 0.38428307743006 0.37014087951823 0.05661584590452 32.065 > 62 124 S 0.88428307743006 0.37014087951823 0.05661584590452 32.065 > 62 125 S 0.15590557885101 0.47034282649496 0.13843392789699 32.065 > 63 126 S 0.65590557885101 0.47034282649496 0.13843392789699 32.065 > 63 127 S 0.15590557885101 0.02965717350504 0.63843392789700 32.065 > 64 128 S 0.65590557885101 0.02965717350504 0.63843392789700 32.065 > 64 129 S 0.15590557885101 0.47034282649496 0.36156607210301 32.065 > 65 130 S 0.65590557885101 0.47034282649496 0.36156607210301 32.065 > 65 131 S 0.34409442114899 0.52965717350504 0.63843392789700 32.065 > 66 132 S 0.84409442114899 0.52965717350504 0.63843392789700 32.065 > 66 133 S 0.11393586938390 0.16282134407510 0.08422989251692 32.065 > 67 134 S 0.61393586938390 0.16282134407510 0.08422989251692 32.065 > 67 135 S 0.38606413061610 0.66282134407510 0.41577010748308 32.065 > 68 136 S 0.88606413061610 0.66282134407510 0.41577010748308 32.065 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1288169 0.0000000 0.0000000 0.0000000 11.1203483 0.0000000 0.0000000 0.0000000 12.4320823 -------------------------- Born effective charges -------------------------- 1 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 2 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 3 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 4 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 5 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 6 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 7 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 8 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 9 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 10 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 11 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 12 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 13 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 14 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 15 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 16 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 17 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 18 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 19 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 20 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 21 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 22 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 23 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 24 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 25 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 26 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 27 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 28 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 29 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 30 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 31 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 32 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 33 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 34 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 35 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 36 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 37 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 38 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 39 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 40 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 41 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 42 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 43 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 44 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 45 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 46 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 47 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 48 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 49 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 50 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 51 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 52 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 53 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 54 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 55 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 56 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 57 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 58 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 59 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 60 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 61 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 62 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 63 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 64 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 65 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 66 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 67 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 68 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5440 Number of blocks in projector: 5440 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: 1216 Use submatrix version of eigh solver. (1) Block: 500 / 1216 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1216 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1216 / 1216 (1) 200 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1096 Use submatrix version of eigh solver. (1) Block: 500 / 1096 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1096 / 1096 (2) Block: 250 / 596 (2) 236 eigenvectors found. (2) Block: 500 / 596 (2) 236 eigenvectors found. (2) Block: 596 / 596 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 80 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5440, 5361), data: False |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 20), data: (588, 32) @ (32, 20) |-- (88, 80), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1096, 1082), data: False |-- (1096, 14), data: (1096, 28) @ (28, 14) |-- (596, 582), data: False |-- (596, 26), data: (596, 40) @ (40, 26) |-- (96, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1216, 1196), data: False |-- (1216, 34), data: (1216, 54) @ (54, 34) |-- (216, 200), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.635 Solver_block: 200 / 1040 - Time: 1.457 Solver_block: 300 / 1040 - Time: 1.456 Solver_block: 400 / 1040 - Time: 1.451 Solver_block: 500 / 1040 - Time: 1.458 Solver_block: 600 / 1040 - Time: 1.449 Solver_block: 700 / 1040 - Time: 1.452 Solver_block: 800 / 1040 - Time: 1.448 Solver_block: 900 / 1040 - Time: 1.455 Solver_block: 1000 / 1040 - Time: 1.450 Solver_block: 1040 / 1040 - Time: 0.748 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.937 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5440 Number of blocks in projector: 5440 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: 1216 Use submatrix version of eigh solver. (1) Block: 500 / 1216 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1216 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1216 / 1216 (1) 200 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1096 Use submatrix version of eigh solver. (1) Block: 500 / 1096 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1096 / 1096 (2) Block: 250 / 596 (2) 236 eigenvectors found. (2) Block: 500 / 596 (2) 236 eigenvectors found. (2) Block: 596 / 596 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 238 eigenvectors found. (2) Block: 588 / 588 (2) 80 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 680 / 680 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5440, 5361), data: False |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (680, 669), data: False |-- (680, 10), data: (680, 21) @ (21, 10) |-- (180, 170), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1088, 1076), data: False |-- (1088, 12), data: (1088, 24) @ (24, 12) |-- (588, 576), data: False |-- (588, 20), data: (588, 32) @ (32, 20) |-- (88, 80), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1096, 1082), data: False |-- (1096, 14), data: (1096, 28) @ (28, 14) |-- (596, 582), data: False |-- (596, 26), data: (596, 40) @ (40, 26) |-- (96, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1216, 1196), data: False |-- (1216, 34), data: (1216, 54) @ (54, 34) |-- (216, 200), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), 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 12:48:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:48:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.064943910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): 1 Ba 0.92890556220553 0.76932234670416 0.25000000000000 137.327 2 Ba 0.07109443779447 0.26932234670416 0.25000000000000 137.327 3 Ba 0.92890556220553 0.73067765329584 0.75000000000000 137.327 4 Ba 0.07109443779447 0.23067765329584 0.75000000000000 137.327 5 Cu 0.48872084559450 0.29147303704275 0.37439564106615 63.546 6 Cu 0.44421483390643 0.59144761506704 0.45342464872754 63.546 7 Cu 0.48872084559450 0.20852696295725 0.87439564106615 63.546 8 Cu 0.94904582566442 0.50238644616383 0.37075130675379 63.546 9 Cu 0.48872084559450 0.29147303704275 0.12560435893385 63.546 10 Cu 0.55578516609357 0.40855238493296 0.95342464872754 63.546 11 Cu 0.94904582566442 0.99761355383617 0.87075130675379 63.546 12 Cu 0.05095417433559 0.49761355383617 0.87075130675379 63.546 13 Cu 0.44421483390643 0.90855238493296 0.95342464872754 63.546 14 Cu 0.51127915440550 0.70852696295725 0.62560435893385 63.546 15 Cu 0.55578516609357 0.09144761506704 0.45342464872754 63.546 16 Cu 0.55578516609357 0.40855238493296 0.54657535127246 63.546 17 Cu 0.05095417433559 0.00238644616383 0.12924869324621 63.546 18 Cu 0.44421483390643 0.59144761506704 0.04657535127246 63.546 19 Cu 0.51127915440550 0.70852696295725 0.87439564106615 63.546 20 Cu 0.44421483390643 0.90855238493296 0.54657535127246 63.546 21 Cu 0.05095417433559 0.49761355383617 0.62924869324621 63.546 22 Cu 0.94904582566442 0.99761355383617 0.62924869324621 63.546 23 Cu 0.94904582566442 0.50238644616383 0.12924869324621 63.546 24 Cu 0.51127915440550 0.79147303704275 0.37439564106615 63.546 25 Cu 0.51127915440550 0.79147303704275 0.12560435893385 63.546 26 Cu 0.05095417433559 0.00238644616383 0.37075130675379 63.546 27 Cu 0.48872084559450 0.20852696295725 0.62560435893385 63.546 28 Cu 0.55578516609357 0.09144761506704 0.04657535127246 63.546 29 Ge 0.54582783283904 0.45942221610692 0.75000000000000 72.640 30 Ge 0.54582783283904 0.04057778389308 0.25000000000000 72.640 31 Ge 0.45417216716096 0.95942221610692 0.75000000000000 72.640 32 Ge 0.99444401953436 0.75000000000000 0.50000000000000 72.640 33 Ge 0.45417216716096 0.54057778389308 0.25000000000000 72.640 34 Ge 0.99444401953436 0.75000000000000 0.00000000000000 72.640 35 Ge 0.00555598046564 0.25000000000000 0.50000000000000 72.640 36 Ge 0.00555598046564 0.25000000000000 0.00000000000000 72.640 37 S 0.23143384513988 0.87014087951823 0.05661584590452 32.065 38 S 0.76856615486012 0.37014087951823 0.44338415409548 32.065 39 S 0.22787173876780 0.33717865592490 0.91577010748308 32.065 40 S 0.81002513938968 0.50041910421841 0.25000000000000 32.065 41 S 0.22787173876780 0.33717865592490 0.58422989251692 32.065 42 S 0.68818884229798 0.52965717350504 0.86156607210300 32.065 43 S 0.22787173876780 0.16282134407510 0.41577010748308 32.065 44 S 0.81002513938968 0.99958089578159 0.75000000000000 32.065 45 S 0.18997486061032 0.00041910421842 0.25000000000000 32.065 46 S 0.68818884229798 0.97034282649496 0.13843392789699 32.065 47 S 0.76856615486012 0.12985912048177 0.55661584590452 32.065 48 S 0.57976185770211 0.22901777852301 0.25000000000000 32.065 49 S 0.68818884229798 0.97034282649496 0.36156607210301 32.065 50 S 0.23143384513988 0.87014087951823 0.44338415409548 32.065 51 S 0.57976185770211 0.27098222147699 0.75000000000000 32.065 52 S 0.31181115770202 0.02965717350504 0.86156607210300 32.065 53 S 0.23143384513988 0.62985912048177 0.94338415409548 32.065 54 S 0.77212826123220 0.66282134407510 0.08422989251692 32.065 55 S 0.42023814229789 0.72901777852301 0.25000000000000 32.065 56 S 0.77212826123220 0.83717865592490 0.58422989251692 32.065 57 S 0.18997486061032 0.49958089578158 0.75000000000000 32.065 58 S 0.42023814229789 0.77098222147699 0.75000000000000 32.065 59 S 0.77212826123220 0.83717865592490 0.91577010748308 32.065 60 S 0.76856615486012 0.12985912048177 0.94338415409548 32.065 61 S 0.23143384513988 0.62985912048177 0.55661584590452 32.065 62 S 0.76856615486012 0.37014087951823 0.05661584590452 32.065 63 S 0.31181115770202 0.47034282649496 0.13843392789699 32.065 64 S 0.31181115770202 0.02965717350504 0.63843392789700 32.065 65 S 0.31181115770202 0.47034282649496 0.36156607210301 32.065 66 S 0.68818884229798 0.52965717350504 0.63843392789700 32.065 67 S 0.22787173876780 0.16282134407510 0.08422989251692 32.065 68 S 0.77212826123220 0.66282134407510 0.41577010748308 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.129887820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): 1 Ba 0.46445278110277 0.76932234670416 0.25000000000000 137.327 > 1 2 Ba 0.96445278110277 0.76932234670416 0.25000000000000 137.327 > 1 3 Ba 0.03554721889723 0.26932234670416 0.25000000000000 137.327 > 3 4 Ba 0.53554721889723 0.26932234670416 0.25000000000000 137.327 > 3 5 Ba 0.46445278110277 0.73067765329584 0.75000000000000 137.327 > 5 6 Ba 0.96445278110277 0.73067765329584 0.75000000000000 137.327 > 5 7 Ba 0.03554721889723 0.23067765329584 0.75000000000000 137.327 > 7 8 Ba 0.53554721889723 0.23067765329584 0.75000000000000 137.327 > 7 9 Cu 0.24436042279725 0.29147303704275 0.37439564106615 63.546 > 9 10 Cu 0.74436042279725 0.29147303704275 0.37439564106615 63.546 > 9 11 Cu 0.22210741695322 0.59144761506704 0.45342464872754 63.546 > 11 12 Cu 0.72210741695322 0.59144761506704 0.45342464872754 63.546 > 11 13 Cu 0.24436042279725 0.20852696295725 0.87439564106615 63.546 > 13 14 Cu 0.74436042279725 0.20852696295725 0.87439564106615 63.546 > 13 15 Cu 0.47452291283221 0.50238644616383 0.37075130675379 63.546 > 15 16 Cu 0.97452291283221 0.50238644616383 0.37075130675379 63.546 > 15 17 Cu 0.24436042279725 0.29147303704275 0.12560435893385 63.546 > 17 18 Cu 0.74436042279725 0.29147303704275 0.12560435893385 63.546 > 17 19 Cu 0.27789258304678 0.40855238493296 0.95342464872754 63.546 > 19 20 Cu 0.77789258304678 0.40855238493296 0.95342464872754 63.546 > 19 21 Cu 0.47452291283221 0.99761355383617 0.87075130675379 63.546 > 21 22 Cu 0.97452291283221 0.99761355383617 0.87075130675379 63.546 > 21 23 Cu 0.02547708716779 0.49761355383617 0.87075130675379 63.546 > 23 24 Cu 0.52547708716779 0.49761355383617 0.87075130675379 63.546 > 23 25 Cu 0.22210741695322 0.90855238493296 0.95342464872754 63.546 > 25 26 Cu 0.72210741695322 0.90855238493296 0.95342464872754 63.546 > 25 27 Cu 0.25563957720275 0.70852696295725 0.62560435893385 63.546 > 27 28 Cu 0.75563957720275 0.70852696295725 0.62560435893385 63.546 > 27 29 Cu 0.27789258304678 0.09144761506704 0.45342464872754 63.546 > 29 30 Cu 0.77789258304678 0.09144761506704 0.45342464872754 63.546 > 29 31 Cu 0.27789258304678 0.40855238493296 0.54657535127246 63.546 > 31 32 Cu 0.77789258304678 0.40855238493296 0.54657535127246 63.546 > 31 33 Cu 0.02547708716779 0.00238644616383 0.12924869324621 63.546 > 33 34 Cu 0.52547708716779 0.00238644616383 0.12924869324621 63.546 > 33 35 Cu 0.22210741695322 0.59144761506704 0.04657535127246 63.546 > 35 36 Cu 0.72210741695322 0.59144761506704 0.04657535127246 63.546 > 35 37 Cu 0.25563957720275 0.70852696295725 0.87439564106615 63.546 > 37 38 Cu 0.75563957720275 0.70852696295725 0.87439564106615 63.546 > 37 39 Cu 0.22210741695322 0.90855238493296 0.54657535127246 63.546 > 39 40 Cu 0.72210741695322 0.90855238493296 0.54657535127246 63.546 > 39 41 Cu 0.02547708716779 0.49761355383617 0.62924869324621 63.546 > 41 42 Cu 0.52547708716779 0.49761355383617 0.62924869324621 63.546 > 41 43 Cu 0.47452291283221 0.99761355383617 0.62924869324621 63.546 > 43 44 Cu 0.97452291283221 0.99761355383617 0.62924869324621 63.546 > 43 45 Cu 0.47452291283221 0.50238644616383 0.12924869324621 63.546 > 45 46 Cu 0.97452291283221 0.50238644616383 0.12924869324621 63.546 > 45 47 Cu 0.25563957720275 0.79147303704275 0.37439564106615 63.546 > 47 48 Cu 0.75563957720275 0.79147303704275 0.37439564106615 63.546 > 47 49 Cu 0.25563957720275 0.79147303704275 0.12560435893385 63.546 > 49 50 Cu 0.75563957720275 0.79147303704275 0.12560435893385 63.546 > 49 51 Cu 0.02547708716779 0.00238644616383 0.37075130675379 63.546 > 51 52 Cu 0.52547708716779 0.00238644616383 0.37075130675379 63.546 > 51 53 Cu 0.24436042279725 0.20852696295725 0.62560435893385 63.546 > 53 54 Cu 0.74436042279725 0.20852696295725 0.62560435893385 63.546 > 53 55 Cu 0.27789258304678 0.09144761506704 0.04657535127246 63.546 > 55 56 Cu 0.77789258304678 0.09144761506704 0.04657535127246 63.546 > 55 57 Ge 0.27291391641952 0.45942221610692 0.75000000000000 72.640 > 57 58 Ge 0.77291391641952 0.45942221610692 0.75000000000000 72.640 > 57 59 Ge 0.27291391641952 0.04057778389308 0.25000000000000 72.640 > 59 60 Ge 0.77291391641952 0.04057778389308 0.25000000000000 72.640 > 59 61 Ge 0.22708608358048 0.95942221610692 0.75000000000000 72.640 > 61 62 Ge 0.72708608358048 0.95942221610692 0.75000000000000 72.640 > 61 63 Ge 0.49722200976718 0.75000000000000 0.50000000000000 72.640 > 63 64 Ge 0.99722200976718 0.75000000000000 0.50000000000000 72.640 > 63 65 Ge 0.22708608358048 0.54057778389308 0.25000000000000 72.640 > 65 66 Ge 0.72708608358048 0.54057778389308 0.25000000000000 72.640 > 65 67 Ge 0.49722200976718 0.75000000000000 0.00000000000000 72.640 > 67 68 Ge 0.99722200976718 0.75000000000000 0.00000000000000 72.640 > 67 69 Ge 0.00277799023282 0.25000000000000 0.50000000000000 72.640 > 69 70 Ge 0.50277799023282 0.25000000000000 0.50000000000000 72.640 > 69 71 Ge 0.00277799023282 0.25000000000000 0.00000000000000 72.640 > 71 72 Ge 0.50277799023282 0.25000000000000 0.00000000000000 72.640 > 71 73 S 0.11571692256994 0.87014087951823 0.05661584590452 32.065 > 73 74 S 0.61571692256994 0.87014087951823 0.05661584590452 32.065 > 73 75 S 0.38428307743006 0.37014087951823 0.44338415409548 32.065 > 75 76 S 0.88428307743006 0.37014087951823 0.44338415409548 32.065 > 75 77 S 0.11393586938390 0.33717865592490 0.91577010748308 32.065 > 77 78 S 0.61393586938390 0.33717865592490 0.91577010748308 32.065 > 77 79 S 0.40501256969484 0.50041910421841 0.25000000000000 32.065 > 79 80 S 0.90501256969484 0.50041910421841 0.25000000000000 32.065 > 79 81 S 0.11393586938390 0.33717865592490 0.58422989251692 32.065 > 81 82 S 0.61393586938390 0.33717865592490 0.58422989251692 32.065 > 81 83 S 0.34409442114899 0.52965717350504 0.86156607210300 32.065 > 83 84 S 0.84409442114899 0.52965717350504 0.86156607210300 32.065 > 83 85 S 0.11393586938390 0.16282134407510 0.41577010748308 32.065 > 85 86 S 0.61393586938390 0.16282134407510 0.41577010748308 32.065 > 85 87 S 0.40501256969484 0.99958089578159 0.75000000000000 32.065 > 87 88 S 0.90501256969484 0.99958089578159 0.75000000000000 32.065 > 87 89 S 0.09498743030516 0.00041910421842 0.25000000000000 32.065 > 89 90 S 0.59498743030516 0.00041910421842 0.25000000000000 32.065 > 89 91 S 0.34409442114899 0.97034282649496 0.13843392789699 32.065 > 91 92 S 0.84409442114899 0.97034282649496 0.13843392789699 32.065 > 91 93 S 0.38428307743006 0.12985912048177 0.55661584590452 32.065 > 93 94 S 0.88428307743006 0.12985912048177 0.55661584590452 32.065 > 93 95 S 0.28988092885106 0.22901777852301 0.25000000000000 32.065 > 95 96 S 0.78988092885106 0.22901777852301 0.25000000000000 32.065 > 95 97 S 0.34409442114899 0.97034282649496 0.36156607210301 32.065 > 97 98 S 0.84409442114899 0.97034282649496 0.36156607210301 32.065 > 97 99 S 0.11571692256994 0.87014087951823 0.44338415409548 32.065 > 99 100 S 0.61571692256994 0.87014087951823 0.44338415409548 32.065 > 99 101 S 0.28988092885106 0.27098222147699 0.75000000000000 32.065 > 101 102 S 0.78988092885106 0.27098222147699 0.75000000000000 32.065 > 101 103 S 0.15590557885101 0.02965717350504 0.86156607210300 32.065 > 103 104 S 0.65590557885101 0.02965717350504 0.86156607210300 32.065 > 103 105 S 0.11571692256994 0.62985912048177 0.94338415409548 32.065 > 105 106 S 0.61571692256994 0.62985912048177 0.94338415409548 32.065 > 105 107 S 0.38606413061610 0.66282134407510 0.08422989251692 32.065 > 107 108 S 0.88606413061610 0.66282134407510 0.08422989251692 32.065 > 107 109 S 0.21011907114894 0.72901777852301 0.25000000000000 32.065 > 109 110 S 0.71011907114894 0.72901777852301 0.25000000000000 32.065 > 109 111 S 0.38606413061610 0.83717865592490 0.58422989251692 32.065 > 111 112 S 0.88606413061610 0.83717865592490 0.58422989251692 32.065 > 111 113 S 0.09498743030516 0.49958089578158 0.75000000000000 32.065 > 113 114 S 0.59498743030516 0.49958089578158 0.75000000000000 32.065 > 113 115 S 0.21011907114894 0.77098222147699 0.75000000000000 32.065 > 115 116 S 0.71011907114894 0.77098222147699 0.75000000000000 32.065 > 115 117 S 0.38606413061610 0.83717865592490 0.91577010748308 32.065 > 117 118 S 0.88606413061610 0.83717865592490 0.91577010748308 32.065 > 117 119 S 0.38428307743006 0.12985912048177 0.94338415409548 32.065 > 119 120 S 0.88428307743006 0.12985912048177 0.94338415409548 32.065 > 119 121 S 0.11571692256994 0.62985912048177 0.55661584590452 32.065 > 121 122 S 0.61571692256994 0.62985912048177 0.55661584590452 32.065 > 121 123 S 0.38428307743006 0.37014087951823 0.05661584590452 32.065 > 123 124 S 0.88428307743006 0.37014087951823 0.05661584590452 32.065 > 123 125 S 0.15590557885101 0.47034282649496 0.13843392789699 32.065 > 125 126 S 0.65590557885101 0.47034282649496 0.13843392789699 32.065 > 125 127 S 0.15590557885101 0.02965717350504 0.63843392789700 32.065 > 127 128 S 0.65590557885101 0.02965717350504 0.63843392789700 32.065 > 127 129 S 0.15590557885101 0.47034282649496 0.36156607210301 32.065 > 129 130 S 0.65590557885101 0.47034282649496 0.36156607210301 32.065 > 129 131 S 0.34409442114899 0.52965717350504 0.63843392789700 32.065 > 131 132 S 0.84409442114899 0.52965717350504 0.63843392789700 32.065 > 131 133 S 0.11393586938390 0.16282134407510 0.08422989251692 32.065 > 133 134 S 0.61393586938390 0.16282134407510 0.08422989251692 32.065 > 133 135 S 0.38606413061610 0.66282134407510 0.41577010748308 32.065 > 135 136 S 0.88606413061610 0.66282134407510 0.41577010748308 32.065 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1288169 0.0000000 0.0000000 0.0000000 11.1203483 0.0000000 0.0000000 0.0000000 12.4320823 -------------------------- Born effective charges -------------------------- 1 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 2 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 3 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 4 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 5 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 6 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 7 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 8 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 9 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 10 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 11 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 12 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 13 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 14 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 15 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 16 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 17 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 18 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 19 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 20 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 21 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 22 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 23 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 24 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 25 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 26 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 27 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 28 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 29 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 30 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 31 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 32 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 33 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 34 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 35 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 36 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 37 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 38 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 39 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 40 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 41 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 42 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 43 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 44 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 45 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 46 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 47 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 48 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 49 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 50 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 51 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 52 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 53 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 54 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 55 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 56 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 57 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 58 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 59 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 60 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 61 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 62 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 63 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 64 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 65 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 66 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 67 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 68 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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[ 79, 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[ 83, 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[ 95, 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 12:50:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:50:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.064943910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): 1 Ba 0.92890556220553 0.76932234670416 0.25000000000000 137.327 2 Ba 0.07109443779447 0.26932234670416 0.25000000000000 137.327 3 Ba 0.92890556220553 0.73067765329584 0.75000000000000 137.327 4 Ba 0.07109443779447 0.23067765329584 0.75000000000000 137.327 5 Cu 0.48872084559450 0.29147303704275 0.37439564106615 63.546 6 Cu 0.44421483390643 0.59144761506704 0.45342464872754 63.546 7 Cu 0.48872084559450 0.20852696295725 0.87439564106615 63.546 8 Cu 0.94904582566442 0.50238644616383 0.37075130675379 63.546 9 Cu 0.48872084559450 0.29147303704275 0.12560435893385 63.546 10 Cu 0.55578516609357 0.40855238493296 0.95342464872754 63.546 11 Cu 0.94904582566442 0.99761355383617 0.87075130675379 63.546 12 Cu 0.05095417433559 0.49761355383617 0.87075130675379 63.546 13 Cu 0.44421483390643 0.90855238493296 0.95342464872754 63.546 14 Cu 0.51127915440550 0.70852696295725 0.62560435893385 63.546 15 Cu 0.55578516609357 0.09144761506704 0.45342464872754 63.546 16 Cu 0.55578516609357 0.40855238493296 0.54657535127246 63.546 17 Cu 0.05095417433559 0.00238644616383 0.12924869324621 63.546 18 Cu 0.44421483390643 0.59144761506704 0.04657535127246 63.546 19 Cu 0.51127915440550 0.70852696295725 0.87439564106615 63.546 20 Cu 0.44421483390643 0.90855238493296 0.54657535127246 63.546 21 Cu 0.05095417433559 0.49761355383617 0.62924869324621 63.546 22 Cu 0.94904582566442 0.99761355383617 0.62924869324621 63.546 23 Cu 0.94904582566442 0.50238644616383 0.12924869324621 63.546 24 Cu 0.51127915440550 0.79147303704275 0.37439564106615 63.546 25 Cu 0.51127915440550 0.79147303704275 0.12560435893385 63.546 26 Cu 0.05095417433559 0.00238644616383 0.37075130675379 63.546 27 Cu 0.48872084559450 0.20852696295725 0.62560435893385 63.546 28 Cu 0.55578516609357 0.09144761506704 0.04657535127246 63.546 29 Ge 0.54582783283904 0.45942221610692 0.75000000000000 72.640 30 Ge 0.54582783283904 0.04057778389308 0.25000000000000 72.640 31 Ge 0.45417216716096 0.95942221610692 0.75000000000000 72.640 32 Ge 0.99444401953436 0.75000000000000 0.50000000000000 72.640 33 Ge 0.45417216716096 0.54057778389308 0.25000000000000 72.640 34 Ge 0.99444401953436 0.75000000000000 0.00000000000000 72.640 35 Ge 0.00555598046564 0.25000000000000 0.50000000000000 72.640 36 Ge 0.00555598046564 0.25000000000000 0.00000000000000 72.640 37 S 0.23143384513988 0.87014087951823 0.05661584590452 32.065 38 S 0.76856615486012 0.37014087951823 0.44338415409548 32.065 39 S 0.22787173876780 0.33717865592490 0.91577010748308 32.065 40 S 0.81002513938968 0.50041910421841 0.25000000000000 32.065 41 S 0.22787173876780 0.33717865592490 0.58422989251692 32.065 42 S 0.68818884229798 0.52965717350504 0.86156607210300 32.065 43 S 0.22787173876780 0.16282134407510 0.41577010748308 32.065 44 S 0.81002513938968 0.99958089578159 0.75000000000000 32.065 45 S 0.18997486061032 0.00041910421842 0.25000000000000 32.065 46 S 0.68818884229798 0.97034282649496 0.13843392789699 32.065 47 S 0.76856615486012 0.12985912048177 0.55661584590452 32.065 48 S 0.57976185770211 0.22901777852301 0.25000000000000 32.065 49 S 0.68818884229798 0.97034282649496 0.36156607210301 32.065 50 S 0.23143384513988 0.87014087951823 0.44338415409548 32.065 51 S 0.57976185770211 0.27098222147699 0.75000000000000 32.065 52 S 0.31181115770202 0.02965717350504 0.86156607210300 32.065 53 S 0.23143384513988 0.62985912048177 0.94338415409548 32.065 54 S 0.77212826123220 0.66282134407510 0.08422989251692 32.065 55 S 0.42023814229789 0.72901777852301 0.25000000000000 32.065 56 S 0.77212826123220 0.83717865592490 0.58422989251692 32.065 57 S 0.18997486061032 0.49958089578158 0.75000000000000 32.065 58 S 0.42023814229789 0.77098222147699 0.75000000000000 32.065 59 S 0.77212826123220 0.83717865592490 0.91577010748308 32.065 60 S 0.76856615486012 0.12985912048177 0.94338415409548 32.065 61 S 0.23143384513988 0.62985912048177 0.55661584590452 32.065 62 S 0.76856615486012 0.37014087951823 0.05661584590452 32.065 63 S 0.31181115770202 0.47034282649496 0.13843392789699 32.065 64 S 0.31181115770202 0.02965717350504 0.63843392789700 32.065 65 S 0.31181115770202 0.47034282649496 0.36156607210301 32.065 66 S 0.68818884229798 0.52965717350504 0.63843392789700 32.065 67 S 0.22787173876780 0.16282134407510 0.08422989251692 32.065 68 S 0.77212826123220 0.66282134407510 0.41577010748308 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.129887820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.801331630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.308712849999999 Atomic positions (fractional): 1 Ba 0.46445278110277 0.76932234670416 0.25000000000000 137.327 > 1 2 Ba 0.96445278110277 0.76932234670416 0.25000000000000 137.327 > 1 3 Ba 0.03554721889723 0.26932234670416 0.25000000000000 137.327 > 3 4 Ba 0.53554721889723 0.26932234670416 0.25000000000000 137.327 > 3 5 Ba 0.46445278110277 0.73067765329584 0.75000000000000 137.327 > 5 6 Ba 0.96445278110277 0.73067765329584 0.75000000000000 137.327 > 5 7 Ba 0.03554721889723 0.23067765329584 0.75000000000000 137.327 > 7 8 Ba 0.53554721889723 0.23067765329584 0.75000000000000 137.327 > 7 9 Cu 0.24436042279725 0.29147303704275 0.37439564106615 63.546 > 9 10 Cu 0.74436042279725 0.29147303704275 0.37439564106615 63.546 > 9 11 Cu 0.22210741695322 0.59144761506704 0.45342464872754 63.546 > 11 12 Cu 0.72210741695322 0.59144761506704 0.45342464872754 63.546 > 11 13 Cu 0.24436042279725 0.20852696295725 0.87439564106615 63.546 > 13 14 Cu 0.74436042279725 0.20852696295725 0.87439564106615 63.546 > 13 15 Cu 0.47452291283221 0.50238644616383 0.37075130675379 63.546 > 15 16 Cu 0.97452291283221 0.50238644616383 0.37075130675379 63.546 > 15 17 Cu 0.24436042279725 0.29147303704275 0.12560435893385 63.546 > 17 18 Cu 0.74436042279725 0.29147303704275 0.12560435893385 63.546 > 17 19 Cu 0.27789258304678 0.40855238493296 0.95342464872754 63.546 > 19 20 Cu 0.77789258304678 0.40855238493296 0.95342464872754 63.546 > 19 21 Cu 0.47452291283221 0.99761355383617 0.87075130675379 63.546 > 21 22 Cu 0.97452291283221 0.99761355383617 0.87075130675379 63.546 > 21 23 Cu 0.02547708716779 0.49761355383617 0.87075130675379 63.546 > 23 24 Cu 0.52547708716779 0.49761355383617 0.87075130675379 63.546 > 23 25 Cu 0.22210741695322 0.90855238493296 0.95342464872754 63.546 > 25 26 Cu 0.72210741695322 0.90855238493296 0.95342464872754 63.546 > 25 27 Cu 0.25563957720275 0.70852696295725 0.62560435893385 63.546 > 27 28 Cu 0.75563957720275 0.70852696295725 0.62560435893385 63.546 > 27 29 Cu 0.27789258304678 0.09144761506704 0.45342464872754 63.546 > 29 30 Cu 0.77789258304678 0.09144761506704 0.45342464872754 63.546 > 29 31 Cu 0.27789258304678 0.40855238493296 0.54657535127246 63.546 > 31 32 Cu 0.77789258304678 0.40855238493296 0.54657535127246 63.546 > 31 33 Cu 0.02547708716779 0.00238644616383 0.12924869324621 63.546 > 33 34 Cu 0.52547708716779 0.00238644616383 0.12924869324621 63.546 > 33 35 Cu 0.22210741695322 0.59144761506704 0.04657535127246 63.546 > 35 36 Cu 0.72210741695322 0.59144761506704 0.04657535127246 63.546 > 35 37 Cu 0.25563957720275 0.70852696295725 0.87439564106615 63.546 > 37 38 Cu 0.75563957720275 0.70852696295725 0.87439564106615 63.546 > 37 39 Cu 0.22210741695322 0.90855238493296 0.54657535127246 63.546 > 39 40 Cu 0.72210741695322 0.90855238493296 0.54657535127246 63.546 > 39 41 Cu 0.02547708716779 0.49761355383617 0.62924869324621 63.546 > 41 42 Cu 0.52547708716779 0.49761355383617 0.62924869324621 63.546 > 41 43 Cu 0.47452291283221 0.99761355383617 0.62924869324621 63.546 > 43 44 Cu 0.97452291283221 0.99761355383617 0.62924869324621 63.546 > 43 45 Cu 0.47452291283221 0.50238644616383 0.12924869324621 63.546 > 45 46 Cu 0.97452291283221 0.50238644616383 0.12924869324621 63.546 > 45 47 Cu 0.25563957720275 0.79147303704275 0.37439564106615 63.546 > 47 48 Cu 0.75563957720275 0.79147303704275 0.37439564106615 63.546 > 47 49 Cu 0.25563957720275 0.79147303704275 0.12560435893385 63.546 > 49 50 Cu 0.75563957720275 0.79147303704275 0.12560435893385 63.546 > 49 51 Cu 0.02547708716779 0.00238644616383 0.37075130675379 63.546 > 51 52 Cu 0.52547708716779 0.00238644616383 0.37075130675379 63.546 > 51 53 Cu 0.24436042279725 0.20852696295725 0.62560435893385 63.546 > 53 54 Cu 0.74436042279725 0.20852696295725 0.62560435893385 63.546 > 53 55 Cu 0.27789258304678 0.09144761506704 0.04657535127246 63.546 > 55 56 Cu 0.77789258304678 0.09144761506704 0.04657535127246 63.546 > 55 57 Ge 0.27291391641952 0.45942221610692 0.75000000000000 72.640 > 57 58 Ge 0.77291391641952 0.45942221610692 0.75000000000000 72.640 > 57 59 Ge 0.27291391641952 0.04057778389308 0.25000000000000 72.640 > 59 60 Ge 0.77291391641952 0.04057778389308 0.25000000000000 72.640 > 59 61 Ge 0.22708608358048 0.95942221610692 0.75000000000000 72.640 > 61 62 Ge 0.72708608358048 0.95942221610692 0.75000000000000 72.640 > 61 63 Ge 0.49722200976718 0.75000000000000 0.50000000000000 72.640 > 63 64 Ge 0.99722200976718 0.75000000000000 0.50000000000000 72.640 > 63 65 Ge 0.22708608358048 0.54057778389308 0.25000000000000 72.640 > 65 66 Ge 0.72708608358048 0.54057778389308 0.25000000000000 72.640 > 65 67 Ge 0.49722200976718 0.75000000000000 0.00000000000000 72.640 > 67 68 Ge 0.99722200976718 0.75000000000000 0.00000000000000 72.640 > 67 69 Ge 0.00277799023282 0.25000000000000 0.50000000000000 72.640 > 69 70 Ge 0.50277799023282 0.25000000000000 0.50000000000000 72.640 > 69 71 Ge 0.00277799023282 0.25000000000000 0.00000000000000 72.640 > 71 72 Ge 0.50277799023282 0.25000000000000 0.00000000000000 72.640 > 71 73 S 0.11571692256994 0.87014087951823 0.05661584590452 32.065 > 73 74 S 0.61571692256994 0.87014087951823 0.05661584590452 32.065 > 73 75 S 0.38428307743006 0.37014087951823 0.44338415409548 32.065 > 75 76 S 0.88428307743006 0.37014087951823 0.44338415409548 32.065 > 75 77 S 0.11393586938390 0.33717865592490 0.91577010748308 32.065 > 77 78 S 0.61393586938390 0.33717865592490 0.91577010748308 32.065 > 77 79 S 0.40501256969484 0.50041910421841 0.25000000000000 32.065 > 79 80 S 0.90501256969484 0.50041910421841 0.25000000000000 32.065 > 79 81 S 0.11393586938390 0.33717865592490 0.58422989251692 32.065 > 81 82 S 0.61393586938390 0.33717865592490 0.58422989251692 32.065 > 81 83 S 0.34409442114899 0.52965717350504 0.86156607210300 32.065 > 83 84 S 0.84409442114899 0.52965717350504 0.86156607210300 32.065 > 83 85 S 0.11393586938390 0.16282134407510 0.41577010748308 32.065 > 85 86 S 0.61393586938390 0.16282134407510 0.41577010748308 32.065 > 85 87 S 0.40501256969484 0.99958089578159 0.75000000000000 32.065 > 87 88 S 0.90501256969484 0.99958089578159 0.75000000000000 32.065 > 87 89 S 0.09498743030516 0.00041910421842 0.25000000000000 32.065 > 89 90 S 0.59498743030516 0.00041910421842 0.25000000000000 32.065 > 89 91 S 0.34409442114899 0.97034282649496 0.13843392789699 32.065 > 91 92 S 0.84409442114899 0.97034282649496 0.13843392789699 32.065 > 91 93 S 0.38428307743006 0.12985912048177 0.55661584590452 32.065 > 93 94 S 0.88428307743006 0.12985912048177 0.55661584590452 32.065 > 93 95 S 0.28988092885106 0.22901777852301 0.25000000000000 32.065 > 95 96 S 0.78988092885106 0.22901777852301 0.25000000000000 32.065 > 95 97 S 0.34409442114899 0.97034282649496 0.36156607210301 32.065 > 97 98 S 0.84409442114899 0.97034282649496 0.36156607210301 32.065 > 97 99 S 0.11571692256994 0.87014087951823 0.44338415409548 32.065 > 99 100 S 0.61571692256994 0.87014087951823 0.44338415409548 32.065 > 99 101 S 0.28988092885106 0.27098222147699 0.75000000000000 32.065 > 101 102 S 0.78988092885106 0.27098222147699 0.75000000000000 32.065 > 101 103 S 0.15590557885101 0.02965717350504 0.86156607210300 32.065 > 103 104 S 0.65590557885101 0.02965717350504 0.86156607210300 32.065 > 103 105 S 0.11571692256994 0.62985912048177 0.94338415409548 32.065 > 105 106 S 0.61571692256994 0.62985912048177 0.94338415409548 32.065 > 105 107 S 0.38606413061610 0.66282134407510 0.08422989251692 32.065 > 107 108 S 0.88606413061610 0.66282134407510 0.08422989251692 32.065 > 107 109 S 0.21011907114894 0.72901777852301 0.25000000000000 32.065 > 109 110 S 0.71011907114894 0.72901777852301 0.25000000000000 32.065 > 109 111 S 0.38606413061610 0.83717865592490 0.58422989251692 32.065 > 111 112 S 0.88606413061610 0.83717865592490 0.58422989251692 32.065 > 111 113 S 0.09498743030516 0.49958089578158 0.75000000000000 32.065 > 113 114 S 0.59498743030516 0.49958089578158 0.75000000000000 32.065 > 113 115 S 0.21011907114894 0.77098222147699 0.75000000000000 32.065 > 115 116 S 0.71011907114894 0.77098222147699 0.75000000000000 32.065 > 115 117 S 0.38606413061610 0.83717865592490 0.91577010748308 32.065 > 117 118 S 0.88606413061610 0.83717865592490 0.91577010748308 32.065 > 117 119 S 0.38428307743006 0.12985912048177 0.94338415409548 32.065 > 119 120 S 0.88428307743006 0.12985912048177 0.94338415409548 32.065 > 119 121 S 0.11571692256994 0.62985912048177 0.55661584590452 32.065 > 121 122 S 0.61571692256994 0.62985912048177 0.55661584590452 32.065 > 121 123 S 0.38428307743006 0.37014087951823 0.05661584590452 32.065 > 123 124 S 0.88428307743006 0.37014087951823 0.05661584590452 32.065 > 123 125 S 0.15590557885101 0.47034282649496 0.13843392789699 32.065 > 125 126 S 0.65590557885101 0.47034282649496 0.13843392789699 32.065 > 125 127 S 0.15590557885101 0.02965717350504 0.63843392789700 32.065 > 127 128 S 0.65590557885101 0.02965717350504 0.63843392789700 32.065 > 127 129 S 0.15590557885101 0.47034282649496 0.36156607210301 32.065 > 129 130 S 0.65590557885101 0.47034282649496 0.36156607210301 32.065 > 129 131 S 0.34409442114899 0.52965717350504 0.63843392789700 32.065 > 131 132 S 0.84409442114899 0.52965717350504 0.63843392789700 32.065 > 131 133 S 0.11393586938390 0.16282134407510 0.08422989251692 32.065 > 133 134 S 0.61393586938390 0.16282134407510 0.08422989251692 32.065 > 133 135 S 0.38606413061610 0.66282134407510 0.41577010748308 32.065 > 135 136 S 0.88606413061610 0.66282134407510 0.41577010748308 32.065 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.1288169 0.0000000 0.0000000 0.0000000 11.1203483 0.0000000 0.0000000 0.0000000 12.4320823 -------------------------- Born effective charges -------------------------- 1 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 2 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 3 Ba 3.1754626 -0.2892633 0.0000000 -0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 4 Ba 3.1754626 0.2892633 0.0000000 0.1220539 2.9825076 -0.0000000 0.0000000 0.0000000 2.9258872 5 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 6 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 7 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 8 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 9 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 10 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 11 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 12 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 13 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 14 Cu 0.6170975 -0.0914026 -0.0210274 0.1196013 0.8613127 0.1646677 -0.0537486 0.1221676 0.8794057 15 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 16 Cu 0.7651326 0.3571819 0.1127004 0.0488469 0.9193246 0.2741799 -0.1592370 0.1069462 0.8395634 17 Cu 0.7117414 0.0235861 -0.3310173 0.0892995 0.6033623 0.0866715 0.3293468 0.0945711 0.7975402 18 Cu 0.7651326 0.3571819 -0.1127004 0.0488469 0.9193246 -0.2741799 0.1592370 -0.1069462 0.8395634 19 Cu 0.6170975 -0.0914026 0.0210274 0.1196013 0.8613127 -0.1646677 0.0537486 -0.1221676 0.8794057 20 Cu 0.7651326 -0.3571819 -0.1127004 -0.0488469 0.9193246 0.2741799 0.1592370 0.1069462 0.8395634 21 Cu 0.7117414 -0.0235861 -0.3310173 -0.0892995 0.6033623 -0.0866715 0.3293468 -0.0945711 0.7975402 22 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 23 Cu 0.7117414 -0.0235861 0.3310173 -0.0892995 0.6033623 0.0866715 -0.3293468 0.0945711 0.7975402 24 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 25 Cu 0.6170975 0.0914026 -0.0210274 -0.1196013 0.8613127 -0.1646677 -0.0537486 -0.1221676 0.8794057 26 Cu 0.7117414 0.0235861 0.3310173 0.0892995 0.6033623 -0.0866715 -0.3293468 -0.0945711 0.7975402 27 Cu 0.6170975 0.0914026 0.0210274 -0.1196013 0.8613127 0.1646677 0.0537486 0.1221676 0.8794057 28 Cu 0.7651326 -0.3571819 0.1127004 -0.0488469 0.9193246 -0.2741799 -0.1592370 -0.1069462 0.8395634 29 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 30 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 31 Ge 2.4000682 -0.2353112 0.0000000 -0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 32 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 33 Ge 2.4000682 0.2353112 0.0000000 0.0204680 2.6593167 -0.0000000 0.0000000 0.0000000 2.8888332 34 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 35 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 0.3506776 0.0000000 -0.1164204 2.7635928 36 Ge 3.5808568 -0.0000000 0.0000000 0.0000000 2.3682213 -0.3506776 0.0000000 0.1164204 2.7635928 37 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 38 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 39 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 40 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 41 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 42 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 43 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 44 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 45 S -2.4460417 -0.3804534 0.0000000 -0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 46 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 47 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 48 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 49 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 50 S -1.5056703 -0.5012860 0.1333076 -0.5356049 -1.6684789 0.1748194 0.0650297 0.2358563 -1.2785192 51 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 52 S -1.3056919 0.3954666 0.2254816 0.0561663 -1.3982801 -0.2757563 0.1245292 -0.3583760 -2.2599986 53 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 54 S -1.7720290 -0.3446267 0.4728220 -0.2578046 -1.3264983 0.3446388 0.5576458 0.0428916 -1.8724707 55 S -1.7315064 0.0876647 0.0000000 -0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 56 S -1.7720290 0.3446267 0.4728220 0.2578046 -1.3264983 -0.3446388 0.5576458 -0.0428916 -1.8724707 57 S -2.4460417 0.3804534 0.0000000 0.1254420 -1.8510581 -0.0000000 0.0000000 0.0000000 -1.2579967 58 S -1.7315064 -0.0876647 0.0000000 0.0671219 -2.1404722 -0.0000000 0.0000000 0.0000000 -1.5313581 59 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 60 S -1.5056703 -0.5012860 -0.1333076 -0.5356049 -1.6684789 -0.1748194 -0.0650297 -0.2358563 -1.2785192 61 S -1.5056703 0.5012860 -0.1333076 0.5356049 -1.6684789 0.1748194 -0.0650297 0.2358563 -1.2785192 62 S -1.5056703 0.5012860 0.1333076 0.5356049 -1.6684789 -0.1748194 0.0650297 -0.2358563 -1.2785192 63 S -1.3056919 -0.3954666 -0.2254816 -0.0561663 -1.3982801 -0.2757563 -0.1245292 -0.3583760 -2.2599986 64 S -1.3056919 0.3954666 -0.2254816 0.0561663 -1.3982801 0.2757563 -0.1245292 0.3583760 -2.2599986 65 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 66 S -1.3056919 -0.3954666 0.2254816 -0.0561663 -1.3982801 0.2757563 0.1245292 0.3583760 -2.2599986 67 S -1.7720290 0.3446267 -0.4728220 0.2578046 -1.3264983 0.3446388 -0.5576458 0.0428916 -1.8724707 68 S -1.7720290 -0.3446267 -0.4728220 -0.2578046 -1.3264983 -0.3446388 -0.5576458 -0.0428916 -1.8724707 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (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 ... [ 8 4 3 ] 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: 0.39, Number of G-points: 317, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 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 0.965 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 8.998 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.739 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 9.933 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.768 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 11.875 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 18.703 0.000 0.000) 18.703 0.509 ( 24.053 0.000 0.000) 24.053 1.004 ( 4.287 0.000 0.000) 4.287 1.128 ( 50.213 0.000 0.000) 50.213 1.312 ( 7.893 0.000 0.000) 7.893 1.363 ( -2.302 0.000 0.000) 2.302 1.425 ( 2.254 0.000 0.000) 2.254 1.434 ( 5.134 0.000 0.000) 5.134 1.582 ( 13.036 0.000 0.000) 13.036 1.605 ( 0.681 0.000 0.000) 0.681 1.610 ( 9.892 0.000 0.000) 9.892 1.673 ( -2.426 0.000 0.000) 2.426 1.753 ( 6.952 0.000 0.000) 6.952 1.808 ( 0.899 0.000 0.000) 0.899 1.835 ( 8.143 0.000 0.000) 8.143 1.907 ( 0.051 0.000 0.000) 0.051 1.926 ( 2.525 0.000 0.000) 2.525 1.936 ( 0.753 0.000 0.000) 0.753 1.966 ( 1.845 0.000 0.000) 1.845 2.044 ( 0.783 0.000 0.000) 0.783 2.050 ( 3.824 0.000 0.000) 3.824 2.076 ( 0.238 0.000 0.000) 0.238 2.128 ( 0.721 0.000 0.000) 0.721 2.131 ( -1.084 0.000 0.000) 1.084 2.135 ( 1.273 0.000 0.000) 1.273 2.178 ( 2.366 0.000 0.000) 2.366 2.209 ( -2.406 0.000 0.000) 2.406 2.242 ( -0.732 0.000 0.000) 0.732 2.255 ( -2.073 0.000 0.000) 2.073 2.256 ( 1.402 0.000 0.000) 1.402 2.328 ( 1.553 0.000 0.000) 1.553 2.336 ( 1.868 0.000 0.000) 1.868 2.352 ( 0.405 0.000 0.000) 0.405 2.373 ( 1.192 0.000 0.000) 1.192 2.384 ( -1.883 0.000 0.000) 1.883 2.404 ( 0.605 0.000 0.000) 0.605 2.412 ( 2.577 0.000 0.000) 2.577 2.425 ( 0.578 0.000 0.000) 0.578 2.440 ( 3.801 0.000 0.000) 3.801 2.467 ( 0.681 0.000 0.000) 0.681 2.469 ( -1.855 0.000 0.000) 1.855 2.487 ( 1.464 0.000 0.000) 1.464 2.506 ( 2.178 0.000 0.000) 2.178 2.513 ( -7.698 0.000 0.000) 7.698 2.541 ( 3.137 0.000 0.000) 3.137 2.604 ( -0.436 0.000 0.000) 0.436 2.610 ( -0.074 0.000 0.000) 0.074 2.612 ( 0.544 0.000 0.000) 0.544 2.672 ( -0.853 0.000 0.000) 0.853 2.681 ( 7.257 0.000 0.000) 7.257 2.711 ( 4.128 0.000 0.000) 4.128 2.717 ( -1.023 0.000 0.000) 1.023 2.727 ( 1.710 0.000 0.000) 1.710 2.728 ( 2.050 0.000 0.000) 2.050 2.797 ( 5.754 0.000 0.000) 5.754 2.843 ( 5.156 0.000 0.000) 5.156 2.853 ( -2.460 0.000 0.000) 2.460 2.868 ( 0.095 0.000 0.000) 0.095 2.890 ( -0.793 0.000 0.000) 0.793 2.908 ( 0.806 0.000 0.000) 0.806 2.942 ( -3.959 0.000 0.000) 3.959 2.966 ( -0.595 0.000 0.000) 0.595 2.977 ( -1.465 0.000 0.000) 1.465 3.031 ( -2.327 0.000 0.000) 2.327 3.043 ( -1.902 0.000 0.000) 1.902 3.044 ( -9.797 0.000 0.000) 9.797 3.072 ( -3.325 0.000 0.000) 3.325 3.093 ( -0.396 0.000 0.000) 0.396 3.127 ( -3.675 0.000 0.000) 3.675 3.159 ( -3.231 0.000 0.000) 3.231 3.241 ( -1.093 0.000 0.000) 1.093 3.274 ( -0.897 0.000 0.000) 0.897 3.289 ( 1.243 0.000 0.000) 1.243 3.344 ( 1.545 0.000 0.000) 1.545 3.359 ( -4.836 0.000 0.000) 4.836 3.434 ( 7.604 0.000 0.000) 7.604 3.437 ( -6.408 0.000 0.000) 6.408 3.471 ( -1.047 0.000 0.000) 1.047 3.472 ( -4.832 0.000 0.000) 4.832 3.481 ( -1.370 0.000 0.000) 1.370 3.562 ( 8.309 0.000 0.000) 8.309 3.621 ( 5.993 0.000 0.000) 5.993 3.887 ( 2.627 0.000 0.000) 2.627 3.924 ( 1.744 0.000 0.000) 1.744 3.983 ( 1.897 0.000 0.000) 1.897 4.007 ( 4.180 0.000 0.000) 4.180 4.076 ( 2.492 0.000 0.000) 2.492 4.231 ( 1.802 0.000 0.000) 1.802 4.244 ( 4.186 0.000 0.000) 4.186 4.396 ( 0.352 0.000 0.000) 0.352 4.400 ( 1.647 0.000 0.000) 1.647 4.425 ( 3.622 0.000 0.000) 3.622 4.492 ( 3.346 0.000 0.000) 3.346 4.603 ( 3.662 0.000 0.000) 3.662 4.604 ( 3.648 0.000 0.000) 3.648 4.633 ( 4.844 0.000 0.000) 4.844 4.750 ( 2.519 0.000 0.000) 2.519 4.776 ( 6.623 0.000 0.000) 6.623 4.855 ( 5.328 0.000 0.000) 5.328 4.873 ( 0.218 0.000 0.000) 0.218 5.022 ( -1.185 0.000 0.000) 1.185 5.095 ( 2.619 0.000 0.000) 2.619 5.145 ( 0.383 0.000 0.000) 0.383 5.174 ( -1.309 0.000 0.000) 1.309 5.278 ( -0.857 0.000 0.000) 0.857 5.370 ( 1.234 0.000 0.000) 1.234 5.374 ( -2.244 0.000 0.000) 2.244 5.389 ( -6.408 0.000 0.000) 6.408 5.444 ( -0.219 0.000 0.000) 0.219 5.482 ( -4.705 0.000 0.000) 4.705 5.497 ( -3.406 0.000 0.000) 3.406 5.582 ( -4.950 0.000 0.000) 4.950 6.634 ( -8.352 0.000 0.000) 8.352 6.704 ( -8.330 0.000 0.000) 8.330 6.783 ( -2.387 0.000 0.000) 2.387 6.838 ( 0.390 0.000 0.000) 0.390 6.909 ( 0.657 0.000 0.000) 0.657 6.932 ( 0.075 0.000 0.000) 0.075 6.957 ( -0.522 0.000 0.000) 0.522 7.007 ( 0.165 0.000 0.000) 0.165 7.059 ( 0.854 0.000 0.000) 0.854 7.112 ( -0.388 0.000 0.000) 0.388 7.220 ( 2.876 0.000 0.000) 2.876 7.273 ( 1.715 0.000 0.000) 1.715 7.373 ( -0.023 0.000 0.000) 0.023 7.404 ( -0.688 0.000 0.000) 0.688 7.461 ( 2.305 0.000 0.000) 2.305 7.574 ( 0.217 0.000 0.000) 0.217 7.574 ( 0.508 0.000 0.000) 0.508 7.669 ( -1.359 0.000 0.000) 1.359 7.704 ( 1.608 0.000 0.000) 1.608 7.705 ( 0.154 0.000 0.000) 0.154 7.755 ( -1.395 0.000 0.000) 1.395 7.797 ( -0.503 0.000 0.000) 0.503 7.847 ( 0.273 0.000 0.000) 0.273 7.865 ( -0.053 0.000 0.000) 0.053 7.880 ( -0.462 0.000 0.000) 0.462 7.930 ( 3.023 0.000 0.000) 3.023 7.988 ( -1.896 0.000 0.000) 1.896 8.026 ( 1.414 0.000 0.000) 1.414 8.028 ( 2.329 0.000 0.000) 2.329 8.049 ( 4.509 0.000 0.000) 4.509 8.137 ( -0.927 0.000 0.000) 0.927 8.169 ( 3.286 0.000 0.000) 3.286 8.434 ( 0.203 0.000 0.000) 0.203 8.443 ( 1.233 0.000 0.000) 1.233 8.457 ( 0.486 0.000 0.000) 0.486 8.490 ( 0.739 0.000 0.000) 0.739 8.564 ( 2.268 0.000 0.000) 2.268 8.580 ( -2.405 0.000 0.000) 2.405 8.594 ( -1.314 0.000 0.000) 1.314 8.658 ( -2.936 0.000 0.000) 2.936 8.710 ( -2.254 0.000 0.000) 2.254 8.732 ( -2.593 0.000 0.000) 2.593 8.746 ( -3.010 0.000 0.000) 3.010 8.792 ( 2.945 0.000 0.000) 2.945 8.842 ( -2.104 0.000 0.000) 2.104 8.875 ( -0.463 0.000 0.000) 0.463 8.879 ( 0.418 0.000 0.000) 0.418 8.929 ( -0.780 0.000 0.000) 0.780 8.944 ( -1.274 0.000 0.000) 1.274 8.961 ( 0.366 0.000 0.000) 0.366 8.990 ( 3.348 0.000 0.000) 3.348 9.041 ( 3.421 0.000 0.000) 3.421 9.292 ( -0.199 0.000 0.000) 0.199 9.321 ( -0.567 0.000 0.000) 0.567 9.435 ( -0.089 0.000 0.000) 0.089 9.467 ( 3.054 0.000 0.000) 3.054 9.741 ( 0.193 0.000 0.000) 0.193 9.795 ( -0.094 0.000 0.000) 0.094 9.829 ( -2.225 0.000 0.000) 2.225 9.841 ( 1.198 0.000 0.000) 1.198 9.857 ( 1.395 0.000 0.000) 1.395 9.878 ( 0.647 0.000 0.000) 0.647 9.936 ( -0.047 0.000 0.000) 0.047 10.013 ( -2.389 0.000 0.000) 2.389 10.278 ( 1.029 0.000 0.000) 1.029 10.282 ( 0.178 0.000 0.000) 0.178 10.640 ( -0.586 0.000 0.000) 0.586 10.764 ( -0.472 0.000 0.000) 0.472 10.767 ( -0.804 0.000 0.000) 0.804 10.796 ( -0.762 0.000 0.000) 0.762 10.799 ( -0.406 0.000 0.000) 0.406 11.005 ( -1.138 0.000 0.000) 1.138 11.015 ( -0.205 0.000 0.000) 0.205 11.038 ( -0.733 0.000 0.000) 0.733 11.101 ( -0.006 0.000 0.000) 0.006 11.140 ( -0.883 0.000 0.000) 0.883 11.247 ( -1.619 0.000 0.000) 1.619 11.306 ( -1.058 0.000 0.000) 1.058 11.306 ( 0.802 0.000 0.000) 0.802 11.366 ( 0.522 0.000 0.000) 0.522 11.662 ( -0.384 0.000 0.000) 0.384 11.682 ( -1.329 0.000 0.000) 1.329 11.758 ( -0.713 0.000 0.000) 0.713 11.779 ( -0.124 0.000 0.000) 0.124 11.809 ( -0.558 0.000 0.000) 0.558 11.811 ( -0.305 0.000 0.000) 0.305 11.859 ( -0.730 0.000 0.000) 0.730 11.864 ( -0.206 0.000 0.000) 0.206 11.876 ( -0.562 0.000 0.000) 0.562 11.878 ( 1.972 0.000 0.000) 1.972 12.074 ( 1.789 0.000 0.000) 1.789 12.220 ( -1.389 0.000 0.000) 1.389 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 14.889 0.000 0.000) 14.889 0.980 ( 21.495 0.000 0.000) 21.495 1.138 ( 7.866 0.000 0.000) 7.866 1.300 ( -3.182 0.000 0.000) 3.182 1.472 ( 8.708 0.000 0.000) 8.708 1.504 ( 5.136 0.000 0.000) 5.136 1.566 ( 7.066 0.000 0.000) 7.066 1.580 ( -5.353 0.000 0.000) 5.353 1.679 ( 5.490 0.000 0.000) 5.490 1.755 ( 8.711 0.000 0.000) 8.711 1.807 ( 7.092 0.000 0.000) 7.092 1.866 ( 2.344 0.000 0.000) 2.344 1.882 ( 2.329 0.000 0.000) 2.329 1.949 ( 7.925 0.000 0.000) 7.925 1.952 ( 0.747 0.000 0.000) 0.747 1.962 ( 6.142 0.000 0.000) 6.142 1.965 ( 1.958 0.000 0.000) 1.958 1.993 ( 6.150 0.000 0.000) 6.150 2.073 ( 1.754 0.000 0.000) 1.754 2.079 ( 0.316 0.000 0.000) 0.316 2.080 ( -2.522 0.000 0.000) 2.522 2.116 ( 15.481 0.000 0.000) 15.481 2.132 ( -2.330 0.000 0.000) 2.330 2.142 ( 3.584 0.000 0.000) 3.584 2.166 ( 2.444 0.000 0.000) 2.444 2.198 ( 1.136 0.000 0.000) 1.136 2.205 ( -2.020 0.000 0.000) 2.020 2.218 ( -2.859 0.000 0.000) 2.859 2.224 ( 6.667 0.000 0.000) 6.667 2.277 ( 0.912 0.000 0.000) 0.912 2.306 ( -1.834 0.000 0.000) 1.834 2.310 ( -0.531 0.000 0.000) 0.531 2.325 ( -3.651 0.000 0.000) 3.651 2.400 ( -1.593 0.000 0.000) 1.593 2.410 ( -1.070 0.000 0.000) 1.070 2.437 ( 4.399 0.000 0.000) 4.399 2.441 ( 6.334 0.000 0.000) 6.334 2.454 ( -2.255 0.000 0.000) 2.255 2.468 ( 2.514 0.000 0.000) 2.514 2.474 ( 4.803 0.000 0.000) 4.803 2.480 ( 3.940 0.000 0.000) 3.940 2.497 ( -0.213 0.000 0.000) 0.213 2.538 ( 4.206 0.000 0.000) 4.206 2.553 ( 0.839 0.000 0.000) 0.839 2.608 ( 2.437 0.000 0.000) 2.437 2.611 ( 1.657 0.000 0.000) 1.657 2.613 ( -5.813 0.000 0.000) 5.813 2.633 ( 2.341 0.000 0.000) 2.341 2.669 ( 6.334 0.000 0.000) 6.334 2.687 ( -2.554 0.000 0.000) 2.554 2.698 ( -4.309 0.000 0.000) 4.309 2.720 ( -2.602 0.000 0.000) 2.602 2.742 ( -4.798 0.000 0.000) 4.798 2.783 ( 3.131 0.000 0.000) 3.131 2.801 ( 5.337 0.000 0.000) 5.337 2.838 ( -5.025 0.000 0.000) 5.025 2.871 ( -0.855 0.000 0.000) 0.855 2.882 ( -1.115 0.000 0.000) 1.115 2.889 ( -0.750 0.000 0.000) 0.750 2.892 ( -3.444 0.000 0.000) 3.444 2.899 ( 0.153 0.000 0.000) 0.153 2.914 ( -1.206 0.000 0.000) 1.206 2.939 ( 4.392 0.000 0.000) 4.392 2.991 ( -1.356 0.000 0.000) 1.356 2.994 ( -2.213 0.000 0.000) 2.213 3.017 ( -0.933 0.000 0.000) 0.933 3.045 ( 0.928 0.000 0.000) 0.928 3.116 ( 3.740 0.000 0.000) 3.740 3.136 ( -1.067 0.000 0.000) 1.067 3.194 ( -2.809 0.000 0.000) 2.809 3.196 ( 8.565 0.000 0.000) 8.565 3.228 ( -6.506 0.000 0.000) 6.506 3.239 ( 0.361 0.000 0.000) 0.361 3.269 ( -9.166 0.000 0.000) 9.166 3.297 ( 0.487 0.000 0.000) 0.487 3.344 ( -6.891 0.000 0.000) 6.891 3.372 ( -5.075 0.000 0.000) 5.075 3.513 ( 14.739 0.000 0.000) 14.739 3.533 ( 7.923 0.000 0.000) 7.923 3.604 ( 7.786 0.000 0.000) 7.786 3.775 ( 7.775 0.000 0.000) 7.775 3.803 ( 12.867 0.000 0.000) 12.867 3.943 ( 2.257 0.000 0.000) 2.257 3.958 ( 1.398 0.000 0.000) 1.398 4.047 ( 4.940 0.000 0.000) 4.940 4.117 ( 6.181 0.000 0.000) 6.181 4.156 ( 5.076 0.000 0.000) 5.076 4.285 ( 3.514 0.000 0.000) 3.514 4.338 ( 4.466 0.000 0.000) 4.466 4.418 ( 1.669 0.000 0.000) 1.669 4.446 ( 2.556 0.000 0.000) 2.556 4.532 ( 5.958 0.000 0.000) 5.958 4.564 ( 3.203 0.000 0.000) 3.203 4.683 ( 3.395 0.000 0.000) 3.395 4.700 ( 5.111 0.000 0.000) 5.111 4.749 ( 5.740 0.000 0.000) 5.740 4.800 ( 1.603 0.000 0.000) 1.603 4.871 ( -0.410 0.000 0.000) 0.410 4.932 ( 7.548 0.000 0.000) 7.548 4.978 ( 5.843 0.000 0.000) 5.843 4.993 ( -2.073 0.000 0.000) 2.073 5.138 ( -1.781 0.000 0.000) 1.781 5.142 ( 0.293 0.000 0.000) 0.293 5.160 ( 1.663 0.000 0.000) 1.663 5.201 ( -11.498 0.000 0.000) 11.498 5.211 ( -6.442 0.000 0.000) 6.442 5.302 ( -3.574 0.000 0.000) 3.574 5.385 ( -7.474 0.000 0.000) 7.474 5.397 ( 1.082 0.000 0.000) 1.082 5.405 ( -2.808 0.000 0.000) 2.808 5.433 ( -8.164 0.000 0.000) 8.164 5.450 ( 0.948 0.000 0.000) 0.948 6.450 ( -8.859 0.000 0.000) 8.859 6.528 ( -8.254 0.000 0.000) 8.254 6.702 ( -4.761 0.000 0.000) 4.761 6.852 ( 0.971 0.000 0.000) 0.971 6.888 ( -3.681 0.000 0.000) 3.681 6.932 ( 1.599 0.000 0.000) 1.599 6.945 ( -0.632 0.000 0.000) 0.632 7.010 ( 0.122 0.000 0.000) 0.122 7.085 ( 1.579 0.000 0.000) 1.579 7.098 ( -0.995 0.000 0.000) 0.995 7.291 ( 3.687 0.000 0.000) 3.687 7.304 ( 1.234 0.000 0.000) 1.234 7.373 ( -0.076 0.000 0.000) 0.076 7.392 ( -0.437 0.000 0.000) 0.437 7.527 ( 3.936 0.000 0.000) 3.936 7.574 ( -0.539 0.000 0.000) 0.539 7.581 ( 0.476 0.000 0.000) 0.476 7.645 ( -0.783 0.000 0.000) 0.783 7.728 ( -1.252 0.000 0.000) 1.252 7.730 ( 2.057 0.000 0.000) 2.057 7.743 ( 1.825 0.000 0.000) 1.825 7.791 ( 0.010 0.000 0.000) 0.010 7.856 ( -0.212 0.000 0.000) 0.212 7.865 ( 1.488 0.000 0.000) 1.488 7.893 ( 1.380 0.000 0.000) 1.380 7.937 ( -2.982 0.000 0.000) 2.982 8.000 ( 3.480 0.000 0.000) 3.480 8.056 ( 1.326 0.000 0.000) 1.326 8.084 ( 2.780 0.000 0.000) 2.780 8.114 ( -1.175 0.000 0.000) 1.175 8.151 ( 4.784 0.000 0.000) 4.784 8.247 ( 3.877 0.000 0.000) 3.877 8.434 ( 0.076 0.000 0.000) 0.076 8.472 ( 1.284 0.000 0.000) 1.284 8.478 ( 1.334 0.000 0.000) 1.334 8.522 ( -2.863 0.000 0.000) 2.863 8.530 ( 3.089 0.000 0.000) 3.089 8.559 ( -1.774 0.000 0.000) 1.774 8.602 ( -2.434 0.000 0.000) 2.434 8.608 ( 1.873 0.000 0.000) 1.873 8.631 ( -4.242 0.000 0.000) 4.242 8.666 ( -3.413 0.000 0.000) 3.413 8.698 ( -2.482 0.000 0.000) 2.482 8.777 ( -4.206 0.000 0.000) 4.206 8.844 ( 1.948 0.000 0.000) 1.948 8.863 ( -0.615 0.000 0.000) 0.615 8.886 ( 0.167 0.000 0.000) 0.167 8.910 ( -0.812 0.000 0.000) 0.812 8.922 ( -0.756 0.000 0.000) 0.756 8.985 ( 1.810 0.000 0.000) 1.810 9.054 ( 2.578 0.000 0.000) 2.578 9.119 ( 3.783 0.000 0.000) 3.783 9.308 ( 1.604 0.000 0.000) 1.604 9.311 ( -0.204 0.000 0.000) 0.204 9.425 ( -0.983 0.000 0.000) 0.983 9.499 ( -0.338 0.000 0.000) 0.338 9.745 ( 0.218 0.000 0.000) 0.218 9.775 ( -2.849 0.000 0.000) 2.849 9.801 ( 0.661 0.000 0.000) 0.661 9.873 ( 1.769 0.000 0.000) 1.769 9.893 ( 1.909 0.000 0.000) 1.909 9.896 ( 1.057 0.000 0.000) 1.057 9.924 ( -1.061 0.000 0.000) 1.061 9.952 ( -3.116 0.000 0.000) 3.116 10.291 ( 0.757 0.000 0.000) 0.757 10.305 ( 1.493 0.000 0.000) 1.493 10.626 ( -0.680 0.000 0.000) 0.680 10.751 ( -0.735 0.000 0.000) 0.735 10.760 ( -0.243 0.000 0.000) 0.243 10.776 ( -1.034 0.000 0.000) 1.034 10.783 ( -0.423 0.000 0.000) 0.423 10.976 ( -1.584 0.000 0.000) 1.584 11.007 ( -0.515 0.000 0.000) 0.515 11.018 ( -1.026 0.000 0.000) 1.026 11.097 ( -0.650 0.000 0.000) 0.650 11.115 ( -1.199 0.000 0.000) 1.199 11.213 ( -1.553 0.000 0.000) 1.553 11.281 ( -1.281 0.000 0.000) 1.281 11.319 ( 0.408 0.000 0.000) 0.408 11.374 ( 0.210 0.000 0.000) 0.210 11.646 ( -1.130 0.000 0.000) 1.130 11.648 ( -1.817 0.000 0.000) 1.817 11.741 ( -0.919 0.000 0.000) 0.919 11.775 ( -0.183 0.000 0.000) 0.183 11.777 ( -2.209 0.000 0.000) 2.209 11.815 ( 1.032 0.000 0.000) 1.032 11.841 ( -0.922 0.000 0.000) 0.922 11.867 ( -0.188 0.000 0.000) 0.188 11.882 ( 1.284 0.000 0.000) 1.284 11.913 ( 1.260 0.000 0.000) 1.260 12.107 ( 1.146 0.000 0.000) 1.146 12.186 ( -1.735 0.000 0.000) 1.735 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 9.025 0.000 0.000) 9.025 1.245 ( -2.035 0.000 0.000) 2.035 1.289 ( 6.183 0.000 0.000) 6.183 1.388 ( 17.922 0.000 0.000) 17.922 1.476 ( -4.457 0.000 0.000) 4.457 1.612 ( 4.701 0.000 0.000) 4.701 1.639 ( 6.960 0.000 0.000) 6.960 1.711 ( 6.541 0.000 0.000) 6.541 1.786 ( 4.299 0.000 0.000) 4.299 1.854 ( -2.319 0.000 0.000) 2.319 1.867 ( 0.281 0.000 0.000) 0.281 1.868 ( 2.637 0.000 0.000) 2.637 1.909 ( -1.555 0.000 0.000) 1.555 1.968 ( 0.755 0.000 0.000) 0.755 2.001 ( 0.329 0.000 0.000) 0.329 2.007 ( 1.682 0.000 0.000) 1.682 2.011 ( -0.572 0.000 0.000) 0.572 2.018 ( -4.559 0.000 0.000) 4.559 2.048 ( -5.261 0.000 0.000) 5.261 2.057 ( -0.061 0.000 0.000) 0.061 2.084 ( 2.872 0.000 0.000) 2.872 2.128 ( 0.482 0.000 0.000) 0.482 2.135 ( -1.165 0.000 0.000) 1.165 2.151 ( -0.089 0.000 0.000) 0.089 2.199 ( 0.835 0.000 0.000) 0.835 2.202 ( -0.359 0.000 0.000) 0.359 2.230 ( 2.132 0.000 0.000) 2.132 2.241 ( 2.659 0.000 0.000) 2.659 2.280 ( -0.520 0.000 0.000) 0.520 2.292 ( -2.059 0.000 0.000) 2.059 2.306 ( 0.832 0.000 0.000) 0.832 2.341 ( 1.650 0.000 0.000) 1.650 2.357 ( -0.749 0.000 0.000) 0.749 2.380 ( 6.414 0.000 0.000) 6.414 2.408 ( 1.894 0.000 0.000) 1.894 2.430 ( 1.132 0.000 0.000) 1.132 2.467 ( -1.555 0.000 0.000) 1.555 2.480 ( -4.664 0.000 0.000) 4.664 2.489 ( 1.079 0.000 0.000) 1.079 2.490 ( 0.917 0.000 0.000) 0.917 2.504 ( 0.722 0.000 0.000) 0.722 2.532 ( -0.802 0.000 0.000) 0.802 2.577 ( 0.890 0.000 0.000) 0.890 2.577 ( 2.283 0.000 0.000) 2.283 2.586 ( -5.214 0.000 0.000) 5.214 2.631 ( 1.597 0.000 0.000) 1.597 2.639 ( -0.254 0.000 0.000) 0.254 2.643 ( -0.442 0.000 0.000) 0.442 2.661 ( -0.871 0.000 0.000) 0.871 2.692 ( 2.571 0.000 0.000) 2.571 2.709 ( 5.357 0.000 0.000) 5.357 2.740 ( -3.259 0.000 0.000) 3.259 2.741 ( -2.140 0.000 0.000) 2.140 2.755 ( 2.698 0.000 0.000) 2.698 2.798 ( -1.017 0.000 0.000) 1.017 2.833 ( -4.049 0.000 0.000) 4.049 2.845 ( 1.734 0.000 0.000) 1.734 2.859 ( -0.717 0.000 0.000) 0.717 2.865 ( -0.036 0.000 0.000) 0.036 2.868 ( 0.534 0.000 0.000) 0.534 2.923 ( 1.443 0.000 0.000) 1.443 2.943 ( -0.997 0.000 0.000) 0.997 2.952 ( -2.040 0.000 0.000) 2.040 2.963 ( -0.597 0.000 0.000) 0.597 3.023 ( -3.052 0.000 0.000) 3.052 3.077 ( 5.279 0.000 0.000) 5.279 3.086 ( -3.038 0.000 0.000) 3.038 3.091 ( -7.716 0.000 0.000) 7.716 3.108 ( -0.336 0.000 0.000) 0.336 3.113 ( -4.332 0.000 0.000) 4.332 3.132 ( 8.545 0.000 0.000) 8.545 3.144 ( -1.653 0.000 0.000) 1.653 3.220 ( -4.440 0.000 0.000) 4.440 3.291 ( -2.217 0.000 0.000) 2.217 3.349 ( 6.254 0.000 0.000) 6.254 3.350 ( 5.341 0.000 0.000) 5.341 3.403 ( 12.718 0.000 0.000) 12.718 3.725 ( 3.962 0.000 0.000) 3.962 3.768 ( 12.634 0.000 0.000) 12.634 3.883 ( 17.512 0.000 0.000) 17.512 3.905 ( 4.170 0.000 0.000) 4.170 3.974 ( 1.130 0.000 0.000) 1.130 3.985 ( 1.213 0.000 0.000) 1.213 4.077 ( 13.657 0.000 0.000) 13.657 4.208 ( 9.860 0.000 0.000) 9.860 4.241 ( 5.015 0.000 0.000) 5.015 4.268 ( 5.575 0.000 0.000) 5.575 4.382 ( 5.956 0.000 0.000) 5.956 4.415 ( 2.737 0.000 0.000) 2.737 4.454 ( 1.470 0.000 0.000) 1.470 4.494 ( 1.859 0.000 0.000) 1.859 4.594 ( -1.479 0.000 0.000) 1.479 4.636 ( 3.421 0.000 0.000) 3.421 4.716 ( -0.519 0.000 0.000) 0.519 4.791 ( 3.360 0.000 0.000) 3.360 4.803 ( -0.989 0.000 0.000) 0.989 4.849 ( 3.597 0.000 0.000) 3.597 4.868 ( 0.644 0.000 0.000) 0.644 4.871 ( -10.257 0.000 0.000) 10.257 4.948 ( -11.608 0.000 0.000) 11.608 5.048 ( -7.604 0.000 0.000) 7.604 5.060 ( 4.472 0.000 0.000) 4.472 5.075 ( 3.331 0.000 0.000) 3.331 5.101 ( -4.839 0.000 0.000) 4.839 5.160 ( 1.568 0.000 0.000) 1.568 5.173 ( -5.453 0.000 0.000) 5.453 5.196 ( 1.585 0.000 0.000) 1.585 5.205 ( -8.927 0.000 0.000) 8.927 5.314 ( -1.530 0.000 0.000) 1.530 5.389 ( -0.443 0.000 0.000) 0.443 5.411 ( 0.223 0.000 0.000) 0.223 5.476 ( 1.205 0.000 0.000) 1.205 6.295 ( -5.591 0.000 0.000) 5.591 6.385 ( -5.112 0.000 0.000) 5.112 6.612 ( -3.466 0.000 0.000) 3.466 6.810 ( -3.247 0.000 0.000) 3.247 6.877 ( 1.378 0.000 0.000) 1.378 6.930 ( -0.847 0.000 0.000) 0.847 6.972 ( 2.071 0.000 0.000) 2.071 7.012 ( 0.067 0.000 0.000) 0.067 7.071 ( -1.460 0.000 0.000) 1.460 7.117 ( 1.301 0.000 0.000) 1.301 7.324 ( 0.642 0.000 0.000) 0.642 7.357 ( 2.378 0.000 0.000) 2.378 7.369 ( -0.231 0.000 0.000) 0.231 7.385 ( -0.231 0.000 0.000) 0.231 7.560 ( -0.599 0.000 0.000) 0.599 7.592 ( 0.670 0.000 0.000) 0.670 7.613 ( 3.932 0.000 0.000) 3.932 7.637 ( -0.053 0.000 0.000) 0.053 7.705 ( -0.897 0.000 0.000) 0.897 7.772 ( 0.941 0.000 0.000) 0.941 7.773 ( 1.822 0.000 0.000) 1.822 7.797 ( 0.491 0.000 0.000) 0.491 7.859 ( 0.363 0.000 0.000) 0.363 7.872 ( -3.021 0.000 0.000) 3.021 7.899 ( 1.466 0.000 0.000) 1.466 7.923 ( 1.216 0.000 0.000) 1.216 8.064 ( 2.543 0.000 0.000) 2.543 8.076 ( 0.632 0.000 0.000) 0.632 8.094 ( -0.696 0.000 0.000) 0.696 8.130 ( 1.464 0.000 0.000) 1.464 8.232 ( 2.851 0.000 0.000) 2.851 8.315 ( 2.467 0.000 0.000) 2.467 8.447 ( 1.169 0.000 0.000) 1.169 8.462 ( -1.848 0.000 0.000) 1.848 8.497 ( -0.027 0.000 0.000) 0.027 8.502 ( 0.691 0.000 0.000) 0.691 8.536 ( -0.052 0.000 0.000) 0.052 8.562 ( -1.385 0.000 0.000) 1.385 8.563 ( -1.858 0.000 0.000) 1.858 8.604 ( 3.455 0.000 0.000) 3.455 8.606 ( -2.200 0.000 0.000) 2.200 8.641 ( 1.416 0.000 0.000) 1.416 8.642 ( -2.587 0.000 0.000) 2.587 8.677 ( -5.169 0.000 0.000) 5.169 8.851 ( -0.377 0.000 0.000) 0.377 8.872 ( 0.736 0.000 0.000) 0.736 8.885 ( -0.214 0.000 0.000) 0.214 8.899 ( -0.298 0.000 0.000) 0.298 8.910 ( -0.547 0.000 0.000) 0.547 9.022 ( 1.488 0.000 0.000) 1.488 9.092 ( 1.153 0.000 0.000) 1.153 9.184 ( 2.300 0.000 0.000) 2.300 9.319 ( 0.985 0.000 0.000) 0.985 9.349 ( 2.198 0.000 0.000) 2.198 9.394 ( -1.913 0.000 0.000) 1.913 9.461 ( -2.818 0.000 0.000) 2.818 9.721 ( -2.081 0.000 0.000) 2.081 9.749 ( 0.106 0.000 0.000) 0.106 9.814 ( 0.412 0.000 0.000) 0.412 9.898 ( -1.219 0.000 0.000) 1.219 9.899 ( -1.830 0.000 0.000) 1.830 9.907 ( 1.301 0.000 0.000) 1.301 9.917 ( 0.859 0.000 0.000) 0.859 9.928 ( 1.275 0.000 0.000) 1.275 10.309 ( 0.788 0.000 0.000) 0.788 10.334 ( 1.200 0.000 0.000) 1.200 10.616 ( -0.257 0.000 0.000) 0.257 10.736 ( -0.622 0.000 0.000) 0.622 10.739 ( -1.210 0.000 0.000) 1.210 10.758 ( -0.660 0.000 0.000) 0.660 10.806 ( 2.036 0.000 0.000) 2.036 10.939 ( -2.009 0.000 0.000) 2.009 10.994 ( -0.641 0.000 0.000) 0.641 11.001 ( -0.573 0.000 0.000) 0.573 11.073 ( -1.238 0.000 0.000) 1.238 11.100 ( -0.441 0.000 0.000) 0.441 11.186 ( -0.942 0.000 0.000) 0.942 11.257 ( -0.853 0.000 0.000) 0.853 11.324 ( 0.138 0.000 0.000) 0.138 11.376 ( 0.002 0.000 0.000) 0.002 11.613 ( -1.318 0.000 0.000) 1.318 11.622 ( -1.040 0.000 0.000) 1.040 11.724 ( -0.672 0.000 0.000) 0.672 11.740 ( -1.247 0.000 0.000) 1.247 11.772 ( -0.155 0.000 0.000) 0.155 11.825 ( -0.557 0.000 0.000) 0.557 11.842 ( 1.276 0.000 0.000) 1.276 11.867 ( 0.082 0.000 0.000) 0.082 11.903 ( 0.709 0.000 0.000) 0.709 11.929 ( 0.295 0.000 0.000) 0.295 12.120 ( 0.248 0.000 0.000) 0.248 12.156 ( -1.012 0.000 0.000) 1.012 ======================= Grid point 4 (5/30) ======================= q-point: (-0.50 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.403 ( -0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.686 ( -0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.882 ( -0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.128 ( -0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.181 ( -0.000 0.000 0.000) 0.000 2.242 ( -0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.341 ( -0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.493 ( -0.000 0.000 0.000) 0.000 2.497 ( -0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.678 ( -0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.964 ( -0.000 0.000 0.000) 0.000 2.984 ( -0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.941 ( -1.361 0.000 0.000) 1.361 3.941 ( 1.361 0.000 0.000) 1.361 3.988 ( -0.000 0.000 0.000) 0.000 3.997 ( -0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.497 ( -0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.739 ( -0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.094 ( -0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.109 ( -0.000 0.000 0.000) 0.000 5.127 ( -0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.049 ( -0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.695 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.915 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.094 ( -0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.596 ( -0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.660 ( -0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.346 ( -0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 0.000) 0.000 9.409 ( -0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 10.909 ( -0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 10.995 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.095 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.727 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 11.931 ( 0.000 0.000 0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.146 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 23.063 0.000) 23.063 0.514 ( 0.000 23.225 0.000) 23.225 0.988 ( 0.000 44.311 0.000) 44.311 1.015 ( 0.000 4.344 0.000) 4.344 1.267 ( 0.000 -5.328 0.000) 5.328 1.308 ( 0.000 -9.227 0.000) 9.227 1.334 ( 0.000 -11.550 0.000) 11.550 1.403 ( 0.000 11.467 0.000) 11.467 1.404 ( 0.000 -2.228 0.000) 2.228 1.488 ( 0.000 6.292 0.000) 6.292 1.514 ( 0.000 -9.185 0.000) 9.185 1.655 ( 0.000 1.068 0.000) 1.068 1.677 ( 0.000 -0.910 0.000) 0.910 1.726 ( 0.000 1.216 0.000) 1.216 1.867 ( 0.000 -4.795 0.000) 4.795 1.932 ( 0.000 -0.903 0.000) 0.903 1.933 ( 0.000 5.365 0.000) 5.365 1.938 ( 0.000 1.616 0.000) 1.616 1.973 ( 0.000 -0.876 0.000) 0.876 1.999 ( 0.000 3.428 0.000) 3.428 2.014 ( 0.000 -4.326 0.000) 4.326 2.034 ( 0.000 0.176 0.000) 0.176 2.040 ( 0.000 2.856 0.000) 2.856 2.142 ( 0.000 2.224 0.000) 2.224 2.204 ( 0.000 -2.247 0.000) 2.247 2.215 ( 0.000 0.099 0.000) 0.099 2.220 ( 0.000 -6.622 0.000) 6.622 2.241 ( 0.000 0.751 0.000) 0.751 2.250 ( 0.000 0.290 0.000) 0.290 2.275 ( 0.000 2.133 0.000) 2.133 2.289 ( 0.000 6.005 0.000) 6.005 2.321 ( 0.000 -0.564 0.000) 0.564 2.354 ( 0.000 -3.473 0.000) 3.473 2.358 ( 0.000 1.201 0.000) 1.201 2.364 ( 0.000 -1.610 0.000) 1.610 2.382 ( 0.000 1.756 0.000) 1.756 2.385 ( 0.000 -5.023 0.000) 5.023 2.410 ( 0.000 -0.448 0.000) 0.448 2.437 ( 0.000 2.967 0.000) 2.967 2.464 ( 0.000 -4.318 0.000) 4.318 2.474 ( 0.000 2.806 0.000) 2.806 2.477 ( 0.000 2.696 0.000) 2.696 2.538 ( 0.000 -3.426 0.000) 3.426 2.539 ( 0.000 1.433 0.000) 1.433 2.554 ( 0.000 1.367 0.000) 1.367 2.586 ( 0.000 2.585 0.000) 2.585 2.626 ( 0.000 -0.587 0.000) 0.587 2.629 ( 0.000 3.294 0.000) 3.294 2.664 ( 0.000 1.373 0.000) 1.373 2.667 ( 0.000 1.669 0.000) 1.669 2.675 ( 0.000 -1.957 0.000) 1.957 2.681 ( 0.000 3.654 0.000) 3.654 2.699 ( 0.000 -1.349 0.000) 1.349 2.729 ( 0.000 0.999 0.000) 0.999 2.750 ( 0.000 1.181 0.000) 1.181 2.805 ( 0.000 0.429 0.000) 0.429 2.862 ( 0.000 -1.157 0.000) 1.157 2.863 ( 0.000 0.158 0.000) 0.158 2.902 ( 0.000 0.785 0.000) 0.785 2.915 ( 0.000 0.197 0.000) 0.197 2.933 ( 0.000 -14.876 0.000) 14.876 2.938 ( 0.000 -4.208 0.000) 4.208 2.943 ( 0.000 -0.608 0.000) 0.608 2.983 ( 0.000 -1.840 0.000) 1.840 3.033 ( 0.000 -0.180 0.000) 0.180 3.100 ( 0.000 -0.933 0.000) 0.933 3.122 ( 0.000 2.092 0.000) 2.092 3.127 ( 0.000 -3.526 0.000) 3.526 3.151 ( 0.000 -1.316 0.000) 1.316 3.214 ( 0.000 0.023 0.000) 0.023 3.240 ( 0.000 -5.104 0.000) 5.104 3.272 ( 0.000 -2.143 0.000) 2.143 3.278 ( 0.000 4.680 0.000) 4.680 3.289 ( 0.000 -5.734 0.000) 5.734 3.293 ( 0.000 0.632 0.000) 0.632 3.388 ( 0.000 3.822 0.000) 3.822 3.404 ( 0.000 -1.380 0.000) 1.380 3.504 ( 0.000 -0.769 0.000) 0.769 3.508 ( 0.000 0.628 0.000) 0.628 3.514 ( 0.000 -0.675 0.000) 0.675 3.537 ( 0.000 -1.271 0.000) 1.271 3.634 ( 0.000 0.253 0.000) 0.253 3.820 ( 0.000 0.989 0.000) 0.989 3.957 ( 0.000 -0.827 0.000) 0.827 3.996 ( 0.000 1.711 0.000) 1.711 4.005 ( 0.000 0.868 0.000) 0.868 4.066 ( 0.000 1.747 0.000) 1.747 4.170 ( 0.000 -3.252 0.000) 3.252 4.217 ( 0.000 2.085 0.000) 2.085 4.346 ( 0.000 -2.848 0.000) 2.848 4.406 ( 0.000 0.241 0.000) 0.241 4.432 ( 0.000 -1.130 0.000) 1.130 4.439 ( 0.000 4.013 0.000) 4.013 4.579 ( 0.000 0.955 0.000) 0.955 4.583 ( 0.000 -0.603 0.000) 0.603 4.584 ( 0.000 0.383 0.000) 0.383 4.710 ( 0.000 1.019 0.000) 1.019 4.721 ( 0.000 0.617 0.000) 0.617 4.777 ( 0.000 -1.397 0.000) 1.397 4.836 ( 0.000 -2.802 0.000) 2.802 5.059 ( 0.000 1.893 0.000) 1.893 5.083 ( 0.000 0.597 0.000) 0.597 5.128 ( 0.000 -0.924 0.000) 0.924 5.164 ( 0.000 -2.063 0.000) 2.063 5.320 ( 0.000 2.793 0.000) 2.793 5.403 ( 0.000 0.342 0.000) 0.342 5.425 ( 0.000 -0.110 0.000) 0.110 5.431 ( 0.000 -1.312 0.000) 1.312 5.468 ( 0.000 1.009 0.000) 1.009 5.521 ( 0.000 -0.944 0.000) 0.944 5.557 ( 0.000 1.536 0.000) 1.536 5.621 ( 0.000 -0.812 0.000) 0.812 6.754 ( 0.000 0.419 0.000) 0.419 6.779 ( 0.000 -0.755 0.000) 0.755 6.848 ( 0.000 1.647 0.000) 1.647 6.858 ( 0.000 1.858 0.000) 1.858 6.895 ( 0.000 -0.331 0.000) 0.331 6.938 ( 0.000 3.250 0.000) 3.250 6.944 ( 0.000 -1.665 0.000) 1.665 7.030 ( 0.000 2.761 0.000) 2.761 7.098 ( 0.000 3.900 0.000) 3.900 7.122 ( 0.000 -3.369 0.000) 3.369 7.175 ( 0.000 -1.539 0.000) 1.539 7.239 ( 0.000 -1.307 0.000) 1.307 7.401 ( 0.000 2.247 0.000) 2.247 7.445 ( 0.000 0.858 0.000) 0.858 7.512 ( 0.000 -2.657 0.000) 2.657 7.540 ( 0.000 -2.713 0.000) 2.713 7.557 ( 0.000 -0.253 0.000) 0.253 7.609 ( 0.000 -2.741 0.000) 2.741 7.685 ( 0.000 4.496 0.000) 4.496 7.760 ( 0.000 1.777 0.000) 1.777 7.774 ( 0.000 0.116 0.000) 0.116 7.827 ( 0.000 -1.554 0.000) 1.554 7.827 ( 0.000 2.153 0.000) 2.153 7.842 ( 0.000 -1.724 0.000) 1.724 7.884 ( 0.000 -0.265 0.000) 0.265 7.900 ( 0.000 -0.574 0.000) 0.574 7.922 ( 0.000 -5.504 0.000) 5.504 7.932 ( 0.000 -2.735 0.000) 2.735 8.065 ( 0.000 1.073 0.000) 1.073 8.073 ( 0.000 2.926 0.000) 2.926 8.080 ( 0.000 -0.099 0.000) 0.099 8.145 ( 0.000 -0.429 0.000) 0.429 8.431 ( 0.000 0.186 0.000) 0.186 8.456 ( 0.000 -1.310 0.000) 1.310 8.459 ( 0.000 2.533 0.000) 2.533 8.539 ( 0.000 1.129 0.000) 1.129 8.558 ( 0.000 2.385 0.000) 2.385 8.579 ( 0.000 -2.303 0.000) 2.303 8.625 ( 0.000 0.313 0.000) 0.313 8.719 ( 0.000 -0.122 0.000) 0.122 8.722 ( 0.000 0.342 0.000) 0.342 8.741 ( 0.000 0.534 0.000) 0.534 8.759 ( 0.000 -0.406 0.000) 0.406 8.768 ( 0.000 -3.206 0.000) 3.206 8.807 ( 0.000 0.814 0.000) 0.814 8.853 ( 0.000 -0.275 0.000) 0.275 8.862 ( 0.000 -1.416 0.000) 1.416 8.871 ( 0.000 -0.269 0.000) 0.269 8.936 ( 0.000 0.548 0.000) 0.548 8.949 ( 0.000 -0.208 0.000) 0.208 8.963 ( 0.000 0.276 0.000) 0.276 8.993 ( 0.000 -0.739 0.000) 0.739 9.300 ( 0.000 2.949 0.000) 2.949 9.345 ( 0.000 1.494 0.000) 1.494 9.406 ( 0.000 -1.268 0.000) 1.268 9.420 ( 0.000 -1.316 0.000) 1.316 9.743 ( 0.000 0.425 0.000) 0.425 9.798 ( 0.000 -2.040 0.000) 2.040 9.810 ( 0.000 1.411 0.000) 1.411 9.849 ( 0.000 0.417 0.000) 0.417 9.867 ( 0.000 -0.317 0.000) 0.317 9.892 ( 0.000 2.859 0.000) 2.859 9.910 ( 0.000 -2.047 0.000) 2.047 9.989 ( 0.000 -0.572 0.000) 0.572 10.313 ( 0.000 3.285 0.000) 3.285 10.343 ( 0.000 6.478 0.000) 6.478 10.567 ( 0.000 -6.395 0.000) 6.395 10.684 ( 0.000 -7.562 0.000) 7.562 10.791 ( 0.000 1.728 0.000) 1.728 10.800 ( 0.000 0.638 0.000) 0.638 10.806 ( 0.000 -0.174 0.000) 0.174 10.958 ( 0.000 -4.371 0.000) 4.371 11.035 ( 0.000 1.521 0.000) 1.521 11.074 ( 0.000 0.574 0.000) 0.574 11.112 ( 0.000 0.915 0.000) 0.915 11.142 ( 0.000 -0.304 0.000) 0.304 11.303 ( 0.000 2.920 0.000) 2.920 11.384 ( 0.000 2.380 0.000) 2.380 11.387 ( 0.000 5.084 0.000) 5.084 11.528 ( 0.000 0.681 0.000) 0.681 11.611 ( 0.000 -2.190 0.000) 2.190 11.620 ( 0.000 -2.342 0.000) 2.342 11.765 ( 0.000 -3.436 0.000) 3.436 11.800 ( 0.000 0.442 0.000) 0.442 11.816 ( 0.000 -4.592 0.000) 4.592 11.825 ( 0.000 -0.102 0.000) 0.102 11.859 ( 0.000 0.816 0.000) 0.816 11.865 ( 0.000 -0.512 0.000) 0.512 11.876 ( 0.000 5.440 0.000) 5.440 11.926 ( 0.000 2.085 0.000) 2.085 12.000 ( 0.000 -0.653 0.000) 0.653 12.034 ( 0.000 -1.697 0.000) 1.697 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 10.000 16.831 0.000) 19.578 0.777 ( 16.942 18.024 0.000) 24.736 1.049 ( 3.676 3.714 0.000) 5.225 1.280 ( 0.038 -6.594 0.000) 6.594 1.334 ( 3.188 -6.538 0.000) 7.274 1.369 ( 13.337 8.672 0.000) 15.908 1.454 ( 4.631 -0.843 0.000) 4.707 1.465 ( 28.234 17.934 0.000) 33.449 1.502 ( 9.944 -3.085 0.000) 10.411 1.523 ( 1.579 -5.069 0.000) 5.309 1.662 ( 12.814 6.762 0.000) 14.488 1.681 ( 1.420 0.106 0.000) 1.424 1.728 ( 4.680 -3.198 0.000) 5.668 1.793 ( 5.049 0.377 0.000) 5.063 1.887 ( 3.399 -0.633 0.000) 3.457 1.910 ( -1.369 4.828 0.000) 5.018 1.945 ( 0.805 1.819 0.000) 1.989 1.974 ( 2.937 -2.473 0.000) 3.840 2.010 ( 2.324 0.506 0.000) 2.379 2.011 ( 0.919 1.335 0.000) 1.621 2.031 ( 1.477 -2.578 0.000) 2.971 2.065 ( 1.965 2.369 0.000) 3.078 2.079 ( 4.173 0.335 0.000) 4.187 2.125 ( -0.650 -0.223 0.000) 0.687 2.180 ( -3.924 -0.904 0.000) 4.026 2.214 ( -1.303 -0.821 0.000) 1.540 2.216 ( -0.093 0.473 0.000) 0.483 2.225 ( 1.057 0.448 0.000) 1.147 2.256 ( -0.993 0.240 0.000) 1.021 2.276 ( 1.102 1.357 0.000) 1.749 2.313 ( 1.772 -0.184 0.000) 1.781 2.328 ( -0.483 -0.898 0.000) 1.020 2.357 ( 0.943 -0.635 0.000) 1.137 2.363 ( 2.129 1.999 0.000) 2.920 2.381 ( 0.243 -0.963 0.000) 0.993 2.399 ( 1.767 -2.523 0.000) 3.080 2.419 ( -0.500 1.080 0.000) 1.190 2.435 ( 2.469 -2.583 0.000) 3.573 2.446 ( -0.494 -0.328 0.000) 0.593 2.450 ( 0.261 -0.144 0.000) 0.298 2.470 ( 2.246 1.568 0.000) 2.739 2.485 ( 1.024 2.552 0.000) 2.750 2.523 ( -3.256 1.477 0.000) 3.575 2.535 ( 2.439 -1.176 0.000) 2.707 2.546 ( -2.885 1.133 0.000) 3.099 2.600 ( -1.411 -0.146 0.000) 1.419 2.601 ( 2.397 0.040 0.000) 2.397 2.649 ( -0.151 -1.891 0.000) 1.897 2.653 ( 0.496 3.467 0.000) 3.502 2.686 ( 0.820 -2.006 0.000) 2.167 2.710 ( 2.680 -2.364 0.000) 3.574 2.713 ( 3.688 2.345 0.000) 4.370 2.717 ( 2.074 0.277 0.000) 2.093 2.742 ( -1.222 0.892 0.000) 1.513 2.779 ( 2.276 -1.805 0.000) 2.905 2.827 ( 2.438 -2.036 0.000) 3.176 2.854 ( -0.105 0.367 0.000) 0.382 2.875 ( -2.007 0.494 0.000) 2.067 2.886 ( 0.424 -0.318 0.000) 0.530 2.899 ( -1.379 -3.555 0.000) 3.813 2.902 ( -1.047 -0.473 0.000) 1.149 2.930 ( -0.978 -1.404 0.000) 1.711 2.971 ( 0.695 -2.271 0.000) 2.375 3.011 ( 2.811 -3.466 0.000) 4.463 3.040 ( 0.524 0.197 0.000) 0.559 3.070 ( -3.166 -0.502 0.000) 3.206 3.094 ( -1.209 4.165 0.000) 4.337 3.099 ( -2.758 0.311 0.000) 2.776 3.127 ( -0.094 -0.395 0.000) 0.406 3.168 ( -4.530 1.356 0.000) 4.729 3.223 ( -1.200 -1.363 0.000) 1.816 3.237 ( 1.666 -0.979 0.000) 1.933 3.268 ( 0.453 -4.825 0.000) 4.846 3.278 ( -0.336 -1.344 0.000) 1.385 3.350 ( -4.841 -2.288 0.000) 5.354 3.376 ( -0.663 -0.080 0.000) 0.668 3.396 ( -0.566 -1.894 0.000) 1.977 3.459 ( -4.454 -0.566 0.000) 4.489 3.472 ( -2.985 -0.898 0.000) 3.117 3.493 ( 0.183 2.338 0.000) 2.346 3.526 ( 4.956 -2.838 0.000) 5.711 3.687 ( 4.524 -1.171 0.000) 4.673 3.856 ( 3.185 1.072 0.000) 3.360 3.962 ( 0.785 0.663 0.000) 1.027 4.016 ( 2.345 2.417 0.000) 3.368 4.030 ( 2.859 1.594 0.000) 3.273 4.084 ( 1.684 0.671 0.000) 1.813 4.188 ( 1.979 -3.243 0.000) 3.799 4.267 ( 4.166 1.988 0.000) 4.616 4.372 ( 2.174 -1.926 0.000) 2.904 4.403 ( 0.535 0.212 0.000) 0.576 4.458 ( 2.400 -2.275 0.000) 3.307 4.480 ( 3.860 4.259 0.000) 5.747 4.616 ( 3.027 -0.126 0.000) 3.029 4.641 ( 4.886 2.437 0.000) 5.460 4.651 ( 5.689 1.380 0.000) 5.854 4.747 ( 2.188 0.316 0.000) 2.211 4.771 ( 5.608 -0.269 0.000) 5.614 4.830 ( 4.593 -2.123 0.000) 5.060 4.845 ( 0.587 -2.453 0.000) 2.522 5.049 ( -0.713 2.224 0.000) 2.336 5.097 ( 1.616 0.333 0.000) 1.650 5.138 ( 0.059 -0.807 0.000) 0.809 5.152 ( -0.548 -1.667 0.000) 1.755 5.311 ( -1.125 2.395 0.000) 2.646 5.382 ( -2.069 0.240 0.000) 2.083 5.385 ( -1.488 0.469 0.000) 1.560 5.407 ( -5.851 1.511 0.000) 6.043 5.424 ( -0.847 -1.141 0.000) 1.421 5.483 ( -3.773 -1.328 0.000) 4.000 5.507 ( -4.135 1.761 0.000) 4.495 5.573 ( -4.752 -0.851 0.000) 4.827 6.655 ( -7.396 1.790 0.000) 7.610 6.740 ( -7.548 3.133 0.000) 8.172 6.755 ( -3.368 -2.214 0.000) 4.031 6.865 ( 0.613 2.173 0.000) 2.258 6.887 ( -2.026 -2.295 0.000) 3.061 6.953 ( 0.525 -0.911 0.000) 1.052 6.962 ( 1.104 2.831 0.000) 3.039 7.034 ( 0.362 2.862 0.000) 2.885 7.092 ( -0.113 3.057 0.000) 3.059 7.102 ( -0.894 -1.791 0.000) 2.002 7.205 ( 2.413 -1.727 0.000) 2.967 7.249 ( 0.687 -2.315 0.000) 2.414 7.400 ( -0.126 2.272 0.000) 2.276 7.455 ( -2.602 2.861 0.000) 3.867 7.468 ( 2.127 0.654 0.000) 2.225 7.539 ( -0.387 -2.291 0.000) 2.323 7.545 ( 0.492 -2.417 0.000) 2.467 7.610 ( -0.271 -3.933 0.000) 3.942 7.714 ( 0.831 2.863 0.000) 2.982 7.765 ( -0.456 1.266 0.000) 1.346 7.766 ( 1.008 2.196 0.000) 2.416 7.815 ( -0.809 0.528 0.000) 0.966 7.843 ( 1.244 -0.161 0.000) 1.255 7.851 ( 0.261 -1.334 0.000) 1.359 7.880 ( 0.025 0.323 0.000) 0.324 7.926 ( 2.378 -0.733 0.000) 2.489 7.948 ( 3.038 -3.332 0.000) 4.509 7.957 ( 1.657 -2.601 0.000) 3.083 8.069 ( 0.245 1.632 0.000) 1.650 8.079 ( 1.586 1.690 0.000) 2.317 8.131 ( -1.199 -0.659 0.000) 1.368 8.145 ( 3.688 -1.726 0.000) 4.072 8.439 ( 0.418 0.378 0.000) 0.564 8.460 ( 0.412 -0.259 0.000) 0.487 8.473 ( 1.155 2.418 0.000) 2.679 8.508 ( -0.940 1.329 0.000) 1.627 8.552 ( 0.082 -0.263 0.000) 0.276 8.566 ( -1.351 -1.251 0.000) 1.841 8.625 ( 0.459 2.289 0.000) 2.335 8.658 ( -3.271 0.168 0.000) 3.276 8.704 ( -3.516 -1.360 0.000) 3.769 8.725 ( -1.529 -0.366 0.000) 1.572 8.731 ( -2.457 -0.148 0.000) 2.462 8.789 ( -0.516 -4.372 0.000) 4.402 8.822 ( 1.811 1.882 0.000) 2.611 8.873 ( 0.123 -0.307 0.000) 0.331 8.884 ( 0.584 0.202 0.000) 0.618 8.896 ( 1.515 -1.560 0.000) 2.175 8.934 ( -0.460 0.478 0.000) 0.664 8.969 ( 1.023 0.490 0.000) 1.135 8.975 ( 2.585 -1.198 0.000) 2.849 9.028 ( 2.920 -1.614 0.000) 3.336 9.311 ( 0.864 2.508 0.000) 2.653 9.341 ( -0.359 1.708 0.000) 1.746 9.421 ( -0.034 -1.298 0.000) 1.299 9.438 ( 2.404 -2.216 0.000) 3.269 9.746 ( 0.329 0.555 0.000) 0.645 9.807 ( -0.293 1.414 0.000) 1.444 9.810 ( 1.063 -2.207 0.000) 2.450 9.861 ( -2.329 2.202 0.000) 3.205 9.862 ( 1.207 0.278 0.000) 1.238 9.875 ( 0.685 -0.248 0.000) 0.728 9.919 ( 0.157 -1.402 0.000) 1.411 9.983 ( -1.418 -1.816 0.000) 2.304 10.317 ( 0.466 3.451 0.000) 3.482 10.355 ( 1.162 6.559 0.000) 6.661 10.563 ( -0.179 -6.053 0.000) 6.056 10.687 ( 0.378 -6.690 0.000) 6.701 10.785 ( -0.598 1.267 0.000) 1.401 10.794 ( -0.624 0.407 0.000) 0.745 10.798 ( -0.688 0.149 0.000) 0.704 10.942 ( -1.377 -4.364 0.000) 4.576 11.031 ( -0.360 1.348 0.000) 1.395 11.056 ( -1.254 0.942 0.000) 1.568 11.109 ( -0.200 0.629 0.000) 0.660 11.136 ( -0.783 -0.339 0.000) 0.853 11.287 ( -1.379 3.144 0.000) 3.433 11.363 ( -1.883 2.988 0.000) 3.532 11.382 ( -0.391 4.063 0.000) 4.082 11.460 ( -2.747 5.898 0.000) 6.506 11.594 ( -1.032 -3.632 0.000) 3.776 11.614 ( -0.592 -2.003 0.000) 2.088 11.746 ( -1.941 -2.945 0.000) 3.527 11.794 ( 0.611 0.735 0.000) 0.956 11.796 ( -1.514 -3.631 0.000) 3.935 11.830 ( 0.686 -0.167 0.000) 0.706 11.846 ( 1.176 -0.455 0.000) 1.261 11.885 ( 0.583 4.817 0.000) 4.852 11.888 ( 0.490 -0.537 0.000) 0.727 11.913 ( -0.845 3.848 0.000) 3.940 12.052 ( 1.422 -2.076 0.000) 2.517 12.110 ( 3.423 -6.296 0.000) 7.166 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 10.706 8.540 0.000) 13.695 1.130 ( 17.090 12.404 0.000) 21.117 1.154 ( 5.168 0.092 0.000) 5.169 1.273 ( 0.457 -1.321 0.000) 1.398 1.429 ( 4.868 -5.643 0.000) 7.453 1.536 ( 8.359 4.626 0.000) 9.553 1.545 ( 1.466 -0.395 0.000) 1.518 1.585 ( 5.597 -0.482 0.000) 5.618 1.703 ( 8.026 -5.762 0.000) 9.880 1.718 ( 2.816 1.329 0.000) 3.114 1.831 ( 4.047 -5.442 0.000) 6.782 1.846 ( 1.613 -1.457 0.000) 2.173 1.880 ( 6.802 4.577 0.000) 8.199 1.894 ( -0.122 2.720 0.000) 2.723 1.980 ( 2.504 0.387 0.000) 2.534 1.996 ( 6.286 3.957 0.000) 7.428 2.018 ( 0.739 3.077 0.000) 3.164 2.029 ( 0.890 -0.186 0.000) 0.909 2.054 ( 6.972 0.481 0.000) 6.989 2.061 ( 0.524 0.644 0.000) 0.830 2.089 ( 0.179 0.054 0.000) 0.187 2.090 ( 6.865 -3.240 0.000) 7.591 2.123 ( -0.916 -0.576 0.000) 1.082 2.138 ( -0.346 -2.071 0.000) 2.100 2.154 ( 0.510 0.141 0.000) 0.529 2.200 ( 1.529 -1.154 0.000) 1.915 2.215 ( 0.155 1.492 0.000) 1.500 2.233 ( 0.192 -0.288 0.000) 0.346 2.271 ( 4.216 1.754 0.000) 4.566 2.282 ( -0.816 0.140 0.000) 0.828 2.307 ( -1.620 4.600 0.000) 4.877 2.326 ( -3.672 0.427 0.000) 3.696 2.328 ( 1.602 0.520 0.000) 1.684 2.389 ( -1.253 -2.160 0.000) 2.497 2.390 ( 1.381 -1.377 0.000) 1.950 2.411 ( 0.308 0.744 0.000) 0.805 2.421 ( 0.703 0.341 0.000) 0.781 2.459 ( 1.479 -1.363 0.000) 2.011 2.473 ( 0.966 0.334 0.000) 1.023 2.480 ( 4.543 0.055 0.000) 4.543 2.495 ( 1.909 2.930 0.000) 3.498 2.531 ( -1.283 -1.832 0.000) 2.236 2.532 ( 3.739 -0.904 0.000) 3.847 2.562 ( 6.318 1.529 0.000) 6.501 2.581 ( 0.318 -2.470 0.000) 2.491 2.618 ( 3.840 0.547 0.000) 3.879 2.621 ( -3.231 0.576 0.000) 3.282 2.650 ( 6.273 2.317 0.000) 6.688 2.673 ( 0.329 1.660 0.000) 1.692 2.677 ( -2.034 -2.605 0.000) 3.305 2.695 ( -3.215 -1.109 0.000) 3.401 2.713 ( -0.478 1.512 0.000) 1.586 2.756 ( 0.396 -0.404 0.000) 0.565 2.777 ( 1.822 -1.176 0.000) 2.168 2.794 ( -2.480 2.114 0.000) 3.259 2.818 ( 1.936 -2.725 0.000) 3.342 2.863 ( 2.164 2.277 0.000) 3.141 2.873 ( -0.802 -0.298 0.000) 0.855 2.882 ( 0.307 0.347 0.000) 0.463 2.891 ( -0.539 0.077 0.000) 0.545 2.898 ( 0.028 -1.806 0.000) 1.806 2.939 ( 2.715 -2.618 0.000) 3.771 2.982 ( 0.057 0.762 0.000) 0.764 2.993 ( -5.291 5.578 0.000) 7.689 3.004 ( -1.122 2.240 0.000) 2.506 3.048 ( -0.585 2.000 0.000) 2.084 3.064 ( 0.909 0.706 0.000) 1.151 3.115 ( 3.476 -0.245 0.000) 3.484 3.155 ( -1.202 1.738 0.000) 2.113 3.164 ( 5.402 -2.776 0.000) 6.073 3.189 ( -2.162 -0.915 0.000) 2.347 3.198 ( -5.203 -2.156 0.000) 5.632 3.226 ( 0.009 -1.251 0.000) 1.251 3.247 ( -8.030 -1.789 0.000) 8.227 3.295 ( 0.721 -0.646 0.000) 0.968 3.333 ( -6.757 -0.779 0.000) 6.802 3.352 ( -5.794 -1.552 0.000) 5.999 3.438 ( 12.027 -11.282 0.000) 16.490 3.551 ( 14.624 3.358 0.000) 15.005 3.575 ( 8.378 3.998 0.000) 9.284 3.754 ( 13.365 -4.300 0.000) 14.040 3.790 ( 5.078 -1.674 0.000) 5.347 3.930 ( 3.540 0.525 0.000) 3.579 3.991 ( 1.698 2.352 0.000) 2.901 4.076 ( 3.516 -0.423 0.000) 3.541 4.121 ( 5.149 2.499 0.000) 5.724 4.143 ( 4.643 -1.215 0.000) 4.799 4.256 ( 4.476 -2.229 0.000) 5.001 4.361 ( 4.416 1.835 0.000) 4.782 4.419 ( 2.296 0.123 0.000) 2.299 4.436 ( 2.374 -0.608 0.000) 2.451 4.525 ( 3.607 -2.939 0.000) 4.653 4.582 ( 5.276 3.848 0.000) 6.530 4.685 ( 3.089 -0.111 0.000) 3.091 4.746 ( 4.746 3.517 0.000) 5.908 4.781 ( 6.256 2.580 0.000) 6.767 4.788 ( 1.165 -0.629 0.000) 1.324 4.847 ( -0.517 -2.069 0.000) 2.132 4.911 ( 6.996 -1.844 0.000) 7.235 4.934 ( 4.595 -3.461 0.000) 5.752 5.033 ( -1.434 3.202 0.000) 3.509 5.112 ( -0.888 -0.969 0.000) 1.315 5.142 ( 1.487 -0.522 0.000) 1.576 5.153 ( -0.133 -0.784 0.000) 0.795 5.235 ( -6.818 1.676 0.000) 7.020 5.237 ( -10.030 2.873 0.000) 10.433 5.311 ( -4.794 -0.174 0.000) 4.797 5.363 ( -7.792 -2.065 0.000) 8.061 5.378 ( -0.021 -0.478 0.000) 0.478 5.405 ( -1.345 -0.223 0.000) 1.363 5.431 ( -4.531 0.091 0.000) 4.532 5.454 ( -2.564 -0.181 0.000) 2.570 6.487 ( -8.173 3.288 0.000) 8.810 6.577 ( -7.728 4.398 0.000) 8.892 6.660 ( -5.230 -3.484 0.000) 6.284 6.818 ( -4.282 -5.054 0.000) 6.625 6.881 ( 0.951 2.375 0.000) 2.559 6.957 ( -0.104 0.348 0.000) 0.363 6.980 ( 0.932 2.967 0.000) 3.110 7.045 ( 0.602 3.235 0.000) 3.290 7.088 ( -0.692 -1.146 0.000) 1.338 7.101 ( 0.917 1.999 0.000) 2.200 7.259 ( 0.766 -4.036 0.000) 4.109 7.261 ( 2.380 -2.804 0.000) 3.678 7.393 ( -0.470 1.950 0.000) 2.006 7.427 ( -0.465 2.915 0.000) 2.952 7.528 ( -0.710 -3.136 0.000) 3.215 7.529 ( 3.686 0.149 0.000) 3.689 7.561 ( 1.156 -1.415 0.000) 1.827 7.603 ( -0.178 -3.983 0.000) 3.987 7.734 ( 1.188 2.252 0.000) 2.546 7.754 ( -0.712 2.291 0.000) 2.399 7.798 ( 0.375 1.773 0.000) 1.812 7.805 ( 1.509 1.513 0.000) 2.137 7.848 ( -0.276 -1.089 0.000) 1.124 7.876 ( 1.811 0.578 0.000) 1.901 7.903 ( 2.100 1.416 0.000) 2.533 7.955 ( -1.721 1.237 0.000) 2.119 7.990 ( 3.425 -0.934 0.000) 3.550 8.014 ( 3.010 -1.955 0.000) 3.589 8.100 ( -1.496 -1.239 0.000) 1.943 8.110 ( 3.160 -2.986 0.000) 4.347 8.115 ( 1.698 1.722 0.000) 2.419 8.217 ( 3.167 -2.556 0.000) 4.070 8.438 ( -0.135 0.410 0.000) 0.431 8.473 ( 0.872 -0.583 0.000) 1.049 8.497 ( 0.864 1.827 0.000) 2.020 8.524 ( -2.377 0.182 0.000) 2.384 8.527 ( 1.672 0.205 0.000) 1.684 8.558 ( 1.115 -0.386 0.000) 1.180 8.593 ( -3.065 -0.432 0.000) 3.095 8.624 ( -3.635 -0.690 0.000) 3.700 8.637 ( 0.605 2.407 0.000) 2.482 8.670 ( -3.025 0.100 0.000) 3.027 8.684 ( -2.227 -0.936 0.000) 2.416 8.752 ( -3.021 -2.214 0.000) 3.746 8.852 ( 0.687 0.583 0.000) 0.901 8.860 ( -0.998 -0.035 0.000) 0.999 8.887 ( -0.171 0.060 0.000) 0.182 8.901 ( -0.426 -1.093 0.000) 1.173 8.933 ( 0.527 1.834 0.000) 1.908 9.009 ( 2.567 1.712 0.000) 3.086 9.029 ( 2.358 -2.060 0.000) 3.131 9.099 ( 3.726 -1.802 0.000) 4.139 9.334 ( -0.254 1.869 0.000) 1.886 9.336 ( 1.565 2.600 0.000) 3.035 9.413 ( -0.807 -1.136 0.000) 1.393 9.471 ( 0.308 -2.464 0.000) 2.483 9.755 ( 0.439 0.898 0.000) 1.000 9.785 ( -2.353 1.117 0.000) 2.604 9.820 ( -1.073 1.281 0.000) 1.671 9.838 ( 1.551 -2.645 0.000) 3.066 9.893 ( 1.267 -0.001 0.000) 1.267 9.895 ( 1.524 -0.093 0.000) 1.527 9.908 ( -1.247 -1.302 0.000) 1.803 9.937 ( -2.439 -1.301 0.000) 2.764 10.332 ( 0.970 3.734 0.000) 3.858 10.386 ( 1.689 6.788 0.000) 6.995 10.562 ( 0.051 -5.213 0.000) 5.213 10.703 ( 1.110 -5.085 0.000) 5.204 10.767 ( -1.152 0.234 0.000) 1.176 10.772 ( -1.265 -0.312 0.000) 1.303 10.785 ( -0.370 1.206 0.000) 1.262 10.910 ( -1.675 -4.411 0.000) 4.718 11.020 ( -0.654 1.021 0.000) 1.212 11.031 ( -1.176 0.801 0.000) 1.423 11.101 ( -0.720 0.283 0.000) 0.774 11.112 ( -1.283 -0.235 0.000) 1.304 11.254 ( -1.673 3.297 0.000) 3.697 11.320 ( -1.976 3.147 0.000) 3.716 11.372 ( -0.598 2.271 0.000) 2.349 11.427 ( -1.063 3.501 0.000) 3.659 11.569 ( -1.324 -3.703 0.000) 3.932 11.598 ( -0.885 -1.172 0.000) 1.469 11.709 ( -1.498 -3.277 0.000) 3.603 11.765 ( -1.391 -3.291 0.000) 3.573 11.815 ( 1.351 1.005 0.000) 1.684 11.846 ( 0.084 1.289 0.000) 1.291 11.862 ( 0.604 -0.015 0.000) 0.605 11.892 ( 0.004 1.091 0.000) 1.091 11.892 ( 0.095 5.005 0.000) 5.006 11.912 ( 0.779 1.518 0.000) 1.706 12.079 ( 0.915 -2.617 0.000) 2.772 12.129 ( -0.546 -4.674 0.000) 4.706 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 7.050 3.385 0.000) 7.821 1.201 ( 0.131 -3.104 0.000) 3.106 1.335 ( 4.324 3.149 0.000) 5.349 1.459 ( -1.778 -2.066 0.000) 2.726 1.462 ( 14.536 6.921 0.000) 16.100 1.589 ( 3.397 -0.019 0.000) 3.397 1.696 ( 6.318 4.601 0.000) 7.816 1.707 ( 5.317 -1.318 0.000) 5.477 1.775 ( 1.610 -0.820 0.000) 1.807 1.815 ( 2.517 -4.192 0.000) 4.889 1.847 ( -0.561 -3.571 0.000) 3.614 1.871 ( 1.170 -0.500 0.000) 1.273 1.922 ( 1.413 2.192 0.000) 2.608 1.956 ( 1.046 0.393 0.000) 1.117 1.995 ( -2.042 1.162 0.000) 2.349 2.018 ( -3.610 -0.189 0.000) 3.615 2.022 ( 0.943 0.020 0.000) 0.943 2.037 ( -2.918 0.938 0.000) 3.065 2.052 ( 0.890 -0.216 0.000) 0.916 2.069 ( -1.146 2.501 0.000) 2.751 2.100 ( 1.210 -0.391 0.000) 1.272 2.114 ( 0.553 -0.073 0.000) 0.558 2.123 ( 0.093 -1.268 0.000) 1.272 2.139 ( 0.463 -0.489 0.000) 0.674 2.203 ( 1.772 -1.470 0.000) 2.302 2.220 ( -0.770 0.735 0.000) 1.064 2.223 ( 0.981 1.858 0.000) 2.101 2.267 ( -0.034 0.170 0.000) 0.174 2.273 ( -1.636 -0.166 0.000) 1.644 2.276 ( 1.565 -2.821 0.000) 3.226 2.289 ( 2.480 -1.190 0.000) 2.751 2.320 ( 1.820 4.090 0.000) 4.477 2.371 ( 0.306 -1.182 0.000) 1.221 2.377 ( 3.050 -2.037 0.000) 3.668 2.393 ( -1.457 -0.122 0.000) 1.462 2.399 ( 0.337 -3.501 0.000) 3.517 2.449 ( 1.589 1.644 0.000) 2.287 2.459 ( -1.497 -1.215 0.000) 1.928 2.489 ( -2.333 0.964 0.000) 2.524 2.495 ( -0.133 -1.810 0.000) 1.815 2.514 ( 0.696 2.599 0.000) 2.690 2.515 ( -0.867 -1.658 0.000) 1.871 2.560 ( -0.472 1.749 0.000) 1.812 2.577 ( 0.470 -0.960 0.000) 1.069 2.598 ( -0.682 -3.629 0.000) 3.692 2.603 ( -0.859 -3.102 0.000) 3.219 2.618 ( -2.001 0.760 0.000) 2.141 2.645 ( 0.538 -0.657 0.000) 0.849 2.670 ( 0.799 -0.726 0.000) 1.079 2.697 ( -1.351 2.818 0.000) 3.126 2.720 ( 2.214 1.265 0.000) 2.550 2.739 ( 0.664 -0.856 0.000) 1.083 2.746 ( -1.322 -0.932 0.000) 1.618 2.779 ( -2.557 -1.464 0.000) 2.946 2.791 ( 0.497 2.227 0.000) 2.282 2.822 ( -0.712 -0.249 0.000) 0.754 2.835 ( -2.735 -0.498 0.000) 2.780 2.884 ( 0.914 1.385 0.000) 1.660 2.888 ( 0.823 1.652 0.000) 1.845 2.896 ( 0.651 -0.903 0.000) 1.113 2.938 ( 0.314 2.692 0.000) 2.711 2.945 ( 0.201 2.094 0.000) 2.104 2.955 ( 0.196 1.960 0.000) 1.969 3.013 ( -0.315 2.217 0.000) 2.239 3.052 ( -1.053 2.697 0.000) 2.895 3.080 ( -6.261 -1.354 0.000) 6.406 3.088 ( 3.504 1.200 0.000) 3.704 3.093 ( 0.220 -0.200 0.000) 0.298 3.110 ( -0.777 0.269 0.000) 0.822 3.116 ( -2.844 2.286 0.000) 3.649 3.144 ( -2.264 0.351 0.000) 2.291 3.152 ( 3.334 0.698 0.000) 3.407 3.213 ( -4.142 -0.470 0.000) 4.168 3.269 ( -1.962 -1.960 0.000) 2.773 3.296 ( 4.257 -4.570 0.000) 6.246 3.310 ( 4.963 -3.784 0.000) 6.241 3.422 ( 15.554 2.605 0.000) 15.771 3.674 ( 8.511 -5.220 0.000) 9.985 3.802 ( 11.402 2.769 0.000) 11.733 3.898 ( 5.318 -1.028 0.000) 5.416 3.902 ( 16.434 1.785 0.000) 16.531 3.992 ( 2.648 1.858 0.000) 3.234 4.021 ( 1.155 4.065 0.000) 4.226 4.037 ( 13.563 -3.381 0.000) 13.978 4.166 ( 4.805 -3.993 0.000) 6.248 4.225 ( 4.911 -2.440 0.000) 5.484 4.276 ( 7.818 1.821 0.000) 8.028 4.368 ( 6.417 -1.333 0.000) 6.554 4.433 ( 2.367 1.134 0.000) 2.625 4.467 ( 2.212 1.771 0.000) 2.834 4.482 ( 1.817 -1.014 0.000) 2.081 4.578 ( 0.692 -1.621 0.000) 1.762 4.669 ( 2.579 2.698 0.000) 3.732 4.722 ( 0.071 0.484 0.000) 0.489 4.786 ( -0.814 -1.090 0.000) 1.360 4.814 ( 1.376 2.030 0.000) 2.452 4.831 ( -0.851 -2.749 0.000) 2.878 4.888 ( 3.844 3.267 0.000) 5.045 4.913 ( -10.538 3.127 0.000) 10.992 4.922 ( -7.775 -2.101 0.000) 8.054 5.037 ( 4.348 -2.257 0.000) 4.899 5.044 ( -9.638 -1.015 0.000) 9.691 5.090 ( -0.796 1.489 0.000) 1.689 5.112 ( -2.777 0.849 0.000) 2.904 5.143 ( -2.145 -0.976 0.000) 2.357 5.170 ( 1.818 -0.049 0.000) 1.819 5.184 ( -8.319 -1.921 0.000) 8.538 5.201 ( -0.623 -0.129 0.000) 0.636 5.335 ( -2.058 1.874 0.000) 2.783 5.386 ( -0.421 -0.178 0.000) 0.457 5.408 ( 0.600 -0.231 0.000) 0.643 5.458 ( 0.883 -1.638 0.000) 1.861 6.344 ( -5.230 4.250 0.000) 6.739 6.443 ( -4.840 5.155 0.000) 7.071 6.563 ( -3.686 -4.186 0.000) 5.578 6.733 ( -3.363 -6.171 0.000) 7.028 6.904 ( 1.267 2.245 0.000) 2.577 6.950 ( -0.617 1.251 0.000) 1.395 7.004 ( 1.405 2.219 0.000) 2.627 7.055 ( 0.386 3.930 0.000) 3.949 7.070 ( -1.090 -0.391 0.000) 1.158 7.123 ( 0.977 0.989 0.000) 1.390 7.265 ( 0.195 -4.702 0.000) 4.706 7.308 ( 1.622 -4.491 0.000) 4.775 7.385 ( -0.326 1.697 0.000) 1.729 7.422 ( -0.113 3.114 0.000) 3.116 7.514 ( -0.509 -3.311 0.000) 3.349 7.589 ( 1.387 -0.056 0.000) 1.388 7.604 ( 0.174 -3.803 0.000) 3.807 7.609 ( 3.625 -0.386 0.000) 3.645 7.740 ( -0.513 2.834 0.000) 2.880 7.753 ( 0.481 1.460 0.000) 1.537 7.799 ( 0.212 0.175 0.000) 0.275 7.846 ( 0.032 -1.378 0.000) 1.378 7.847 ( 1.693 3.110 0.000) 3.541 7.906 ( -2.373 2.908 0.000) 3.754 7.912 ( 1.403 0.618 0.000) 1.533 7.951 ( 1.943 2.577 0.000) 3.228 8.059 ( 3.131 -0.411 0.000) 3.158 8.065 ( 1.861 -0.658 0.000) 1.973 8.068 ( -1.366 -2.113 0.000) 2.516 8.138 ( 0.202 0.920 0.000) 0.942 8.173 ( 2.330 -4.770 0.000) 5.309 8.270 ( 1.844 -3.785 0.000) 4.210 8.448 ( 1.133 0.251 0.000) 1.161 8.469 ( -1.984 0.560 0.000) 2.062 8.491 ( 0.769 -1.126 0.000) 1.364 8.515 ( -0.029 -0.256 0.000) 0.257 8.532 ( -2.355 0.154 0.000) 2.360 8.545 ( 0.550 1.252 0.000) 1.368 8.568 ( -1.804 -0.030 0.000) 1.805 8.610 ( 2.782 -0.493 0.000) 2.825 8.622 ( -1.358 0.605 0.000) 1.486 8.641 ( -1.801 -0.230 0.000) 1.815 8.646 ( -0.435 0.947 0.000) 1.042 8.680 ( -2.780 0.048 0.000) 2.780 8.832 ( -1.042 -0.307 0.000) 1.086 8.866 ( 0.319 -0.609 0.000) 0.688 8.881 ( -0.302 -0.317 0.000) 0.438 8.889 ( -0.641 -1.139 0.000) 1.307 8.947 ( 0.527 3.029 0.000) 3.074 9.059 ( 1.925 2.713 0.000) 3.327 9.066 ( 1.196 -2.201 0.000) 2.505 9.166 ( 2.411 -1.664 0.000) 2.929 9.335 ( 0.486 1.357 0.000) 1.442 9.371 ( 1.664 1.879 0.000) 2.510 9.388 ( -1.519 -0.634 0.000) 1.645 9.451 ( -1.850 -1.006 0.000) 2.105 9.732 ( -2.171 1.096 0.000) 2.432 9.762 ( 0.278 1.279 0.000) 1.309 9.803 ( -0.744 -1.079 0.000) 1.311 9.867 ( 1.148 -3.151 0.000) 3.354 9.879 ( -1.045 -0.877 0.000) 1.364 9.897 ( -1.529 -0.708 0.000) 1.685 9.914 ( 0.838 0.133 0.000) 0.849 9.926 ( 1.183 -0.265 0.000) 1.212 10.352 ( 0.847 3.869 0.000) 3.961 10.419 ( 1.306 7.009 0.000) 7.129 10.565 ( 0.186 -4.326 0.000) 4.330 10.723 ( 0.416 -2.401 0.000) 2.437 10.741 ( -1.105 0.090 0.000) 1.109 10.752 ( -0.606 -1.012 0.000) 1.179 10.792 ( 1.195 -0.311 0.000) 1.235 10.873 ( -1.919 -4.105 0.000) 4.531 11.006 ( -0.638 0.897 0.000) 1.101 11.011 ( -0.657 0.688 0.000) 0.952 11.077 ( -1.203 0.308 0.000) 1.242 11.094 ( -0.590 -0.476 0.000) 0.758 11.224 ( -1.098 3.258 0.000) 3.438 11.287 ( -1.159 2.669 0.000) 2.910 11.360 ( -0.479 0.897 0.000) 1.017 11.409 ( -0.679 1.527 0.000) 1.671 11.546 ( -0.806 -2.888 0.000) 2.998 11.581 ( -0.667 -0.279 0.000) 0.723 11.686 ( -0.752 -3.484 0.000) 3.564 11.742 ( -0.790 -3.287 0.000) 3.380 11.831 ( -0.359 4.673 0.000) 4.686 11.849 ( 1.049 0.707 0.000) 1.265 11.872 ( 0.236 0.601 0.000) 0.646 11.892 ( -0.109 5.224 0.000) 5.225 11.899 ( 0.456 -0.196 0.000) 0.496 11.925 ( 0.329 0.314 0.000) 0.455 12.089 ( 0.171 -2.880 0.000) 2.885 12.113 ( -0.754 -3.903 0.000) 3.976 ======================= Grid point 13 (10/30) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 1.624 0.000) 1.624 1.199 ( 0.000 -1.843 0.000) 1.843 1.408 ( 0.000 1.691 0.000) 1.691 1.411 ( -0.000 0.565 0.000) 0.565 1.631 ( 0.000 -1.143 0.000) 1.143 1.667 ( 0.000 2.663 0.000) 2.663 1.771 ( 0.000 1.239 0.000) 1.239 1.772 ( 0.000 -3.683 0.000) 3.683 1.781 ( 0.000 -0.011 0.000) 0.011 1.798 ( 0.000 1.578 0.000) 1.578 1.844 ( 0.000 -4.240 0.000) 4.240 1.875 ( 0.000 0.027 0.000) 0.027 1.950 ( 0.000 5.344 0.000) 5.344 1.956 ( -0.000 -3.031 0.000) 3.031 1.957 ( 0.000 1.927 0.000) 1.927 1.970 ( 0.000 3.122 0.000) 3.122 1.991 ( -0.000 -0.819 0.000) 0.819 2.028 ( 0.000 0.128 0.000) 0.128 2.059 ( 0.000 2.284 0.000) 2.284 2.066 ( 0.000 -0.659 0.000) 0.659 2.120 ( 0.000 0.043 0.000) 0.043 2.125 ( 0.000 0.031 0.000) 0.031 2.130 ( 0.000 -2.173 0.000) 2.173 2.145 ( 0.000 1.344 0.000) 1.344 2.208 ( 0.000 -2.957 0.000) 2.957 2.210 ( -0.000 2.317 0.000) 2.317 2.224 ( 0.000 5.590 0.000) 5.590 2.237 ( 0.000 -1.544 0.000) 1.544 2.279 ( 0.000 -2.106 0.000) 2.106 2.323 ( 0.000 1.655 0.000) 1.655 2.328 ( 0.000 -5.839 0.000) 5.839 2.335 ( 0.000 -1.620 0.000) 1.620 2.339 ( -0.000 1.730 0.000) 1.730 2.374 ( 0.000 0.835 0.000) 0.835 2.412 ( 0.000 -1.065 0.000) 1.065 2.424 ( 0.000 -1.877 0.000) 1.877 2.455 ( -0.000 -1.996 0.000) 1.996 2.464 ( 0.000 -1.312 0.000) 1.312 2.477 ( 0.000 -1.914 0.000) 1.914 2.508 ( 0.000 -1.160 0.000) 1.160 2.509 ( 0.000 -2.219 0.000) 2.219 2.532 ( 0.000 -2.450 0.000) 2.450 2.534 ( 0.000 0.834 0.000) 0.834 2.545 ( -0.000 4.272 0.000) 4.272 2.581 ( 0.000 0.150 0.000) 0.150 2.594 ( -0.000 0.272 0.000) 0.272 2.619 ( 0.000 -0.271 0.000) 0.271 2.623 ( 0.000 -1.122 0.000) 1.122 2.682 ( 0.000 0.415 0.000) 0.415 2.708 ( 0.000 -3.326 0.000) 3.326 2.710 ( -0.000 -1.238 0.000) 1.238 2.726 ( 0.000 -0.064 0.000) 0.064 2.751 ( 0.000 -1.043 0.000) 1.043 2.766 ( 0.000 -2.219 0.000) 2.219 2.783 ( -0.000 4.869 0.000) 4.869 2.794 ( -0.000 -1.395 0.000) 1.395 2.815 ( 0.000 -1.001 0.000) 1.001 2.899 ( 0.000 -1.330 0.000) 1.330 2.901 ( 0.000 2.087 0.000) 2.087 2.929 ( 0.000 1.272 0.000) 1.272 2.954 ( 0.000 0.708 0.000) 0.708 2.954 ( 0.000 4.053 0.000) 4.053 2.970 ( 0.000 2.015 0.000) 2.015 2.979 ( 0.000 0.840 0.000) 0.840 2.995 ( -0.000 1.639 0.000) 1.639 3.027 ( 0.000 7.080 0.000) 7.080 3.070 ( 0.000 0.317 0.000) 0.317 3.081 ( 0.000 2.562 0.000) 2.562 3.119 ( 0.000 0.841 0.000) 0.841 3.125 ( 0.000 -0.590 0.000) 0.590 3.147 ( 0.000 1.021 0.000) 1.021 3.158 ( -0.000 -1.671 0.000) 1.671 3.171 ( 0.000 0.228 0.000) 0.228 3.253 ( 0.000 -1.778 0.000) 1.778 3.332 ( 0.000 -5.367 0.000) 5.367 3.364 ( 0.000 -4.842 0.000) 4.842 3.632 ( 0.000 2.752 0.000) 2.752 3.761 ( 0.000 -1.582 0.000) 1.582 3.951 ( 0.000 0.759 0.000) 0.759 3.957 ( -0.000 0.427 0.000) 0.427 4.021 ( 0.000 2.892 0.000) 2.892 4.043 ( 0.000 5.145 0.000) 5.145 4.099 ( 0.000 0.982 0.000) 0.982 4.226 ( 0.000 -5.108 0.000) 5.108 4.232 ( 0.000 -4.838 0.000) 4.838 4.282 ( 0.000 -3.108 0.000) 3.108 4.446 ( 0.000 0.931 0.000) 0.931 4.450 ( -0.000 0.767 0.000) 0.767 4.457 ( 0.000 0.679 0.000) 0.679 4.496 ( 0.000 0.443 0.000) 0.443 4.509 ( 0.000 0.920 0.000) 0.920 4.540 ( -0.000 2.576 0.000) 2.576 4.673 ( 0.000 1.346 0.000) 1.346 4.720 ( 0.000 1.318 0.000) 1.318 4.757 ( -0.000 1.747 0.000) 1.747 4.771 ( 0.000 -2.142 0.000) 2.142 4.794 ( 0.000 -2.133 0.000) 2.133 4.798 ( 0.000 -0.978 0.000) 0.978 4.819 ( -0.000 -0.833 0.000) 0.833 4.876 ( 0.000 -1.565 0.000) 1.565 4.929 ( 0.000 3.501 0.000) 3.501 5.080 ( 0.000 -1.994 0.000) 1.994 5.091 ( 0.000 -0.764 0.000) 0.764 5.099 ( 0.000 -0.710 0.000) 0.710 5.103 ( 0.000 1.540 0.000) 1.540 5.115 ( -0.000 -0.091 0.000) 0.091 5.202 ( 0.000 0.793 0.000) 0.793 5.204 ( 0.000 -1.170 0.000) 1.170 5.310 ( 0.000 1.281 0.000) 1.281 5.384 ( 0.000 -0.379 0.000) 0.379 5.414 ( 0.000 0.396 0.000) 0.396 5.469 ( 0.000 -1.786 0.000) 1.786 6.287 ( 0.000 4.585 0.000) 4.585 6.391 ( 0.000 5.414 0.000) 5.414 6.523 ( 0.000 -4.423 0.000) 4.423 6.696 ( 0.000 -6.406 0.000) 6.406 6.926 ( -0.000 1.968 0.000) 1.968 6.936 ( 0.000 1.745 0.000) 1.745 7.027 ( 0.000 1.576 0.000) 1.576 7.051 ( -0.000 0.135 0.000) 0.135 7.059 ( 0.000 4.227 0.000) 4.227 7.134 ( 0.000 0.599 0.000) 0.599 7.267 ( 0.000 -4.984 0.000) 4.984 7.325 ( 0.000 -5.088 0.000) 5.088 7.381 ( 0.000 1.672 0.000) 1.672 7.421 ( 0.000 3.235 0.000) 3.235 7.509 ( 0.000 -3.307 0.000) 3.307 7.606 ( 0.000 0.642 0.000) 0.642 7.606 ( 0.000 -3.777 0.000) 3.777 7.654 ( 0.000 -0.894 0.000) 0.894 7.735 ( 0.000 3.062 0.000) 3.062 7.756 ( 0.000 1.078 0.000) 1.078 7.802 ( 0.000 -0.175 0.000) 0.175 7.847 ( 0.000 -1.588 0.000) 1.588 7.866 ( 0.000 3.261 0.000) 3.261 7.875 ( 0.000 3.646 0.000) 3.646 7.927 ( 0.000 0.523 0.000) 0.523 7.974 ( 0.000 3.503 0.000) 3.503 8.052 ( 0.000 -3.127 0.000) 3.127 8.085 ( 0.000 0.021 0.000) 0.021 8.109 ( -0.000 2.030 0.000) 2.030 8.124 ( 0.000 -1.563 0.000) 1.563 8.197 ( 0.000 -5.183 0.000) 5.183 8.290 ( 0.000 -4.364 0.000) 4.364 8.447 ( 0.000 0.512 0.000) 0.512 8.467 ( 0.000 0.130 0.000) 0.130 8.498 ( 0.000 -0.925 0.000) 0.925 8.501 ( 0.000 -1.870 0.000) 1.870 8.518 ( 0.000 1.207 0.000) 1.207 8.548 ( 0.000 0.051 0.000) 0.051 8.562 ( 0.000 1.023 0.000) 1.023 8.597 ( -0.000 0.117 0.000) 0.117 8.612 ( -0.000 0.153 0.000) 0.153 8.619 ( 0.000 1.090 0.000) 1.090 8.659 ( 0.000 -0.047 0.000) 0.047 8.662 ( -0.000 0.850 0.000) 0.850 8.821 ( 0.000 -0.447 0.000) 0.447 8.869 ( 0.000 -0.964 0.000) 0.964 8.878 ( -0.000 -0.311 0.000) 0.311 8.880 ( 0.000 -1.192 0.000) 1.192 8.952 ( 0.000 3.421 0.000) 3.421 9.079 ( 0.000 -2.160 0.000) 2.160 9.080 ( 0.000 3.038 0.000) 3.038 9.191 ( 0.000 -1.568 0.000) 1.568 9.352 ( -0.000 0.423 0.000) 0.423 9.360 ( 0.000 0.192 0.000) 0.192 9.401 ( 0.000 0.811 0.000) 0.811 9.415 ( -0.000 0.408 0.000) 0.408 9.708 ( 0.000 1.044 0.000) 1.044 9.765 ( 0.000 1.448 0.000) 1.448 9.794 ( 0.000 -2.032 0.000) 2.032 9.873 ( 0.000 -0.542 0.000) 0.542 9.875 ( -0.000 -0.672 0.000) 0.672 9.880 ( 0.000 -3.394 0.000) 3.394 9.923 ( 0.000 0.221 0.000) 0.221 9.939 ( 0.000 -0.334 0.000) 0.334 10.362 ( 0.000 3.881 0.000) 3.881 10.433 ( 0.000 7.079 0.000) 7.079 10.567 ( 0.000 -3.992 0.000) 3.992 10.723 ( -0.000 -0.637 0.000) 0.637 10.730 ( 0.000 0.063 0.000) 0.063 10.746 ( 0.000 -1.184 0.000) 1.184 10.827 ( 0.000 -0.924 0.000) 0.924 10.833 ( -0.000 -4.804 0.000) 4.804 10.999 ( 0.000 0.901 0.000) 0.901 11.004 ( 0.000 0.645 0.000) 0.645 11.063 ( 0.000 0.366 0.000) 0.366 11.088 ( 0.000 -0.632 0.000) 0.632 11.212 ( 0.000 3.214 0.000) 3.214 11.275 ( 0.000 2.471 0.000) 2.471 11.354 ( 0.000 0.386 0.000) 0.386 11.401 ( 0.000 0.778 0.000) 0.778 11.537 ( 0.000 -2.413 0.000) 2.413 11.573 ( 0.000 0.110 0.000) 0.110 11.678 ( 0.000 -3.470 0.000) 3.470 11.734 ( 0.000 -3.312 0.000) 3.312 11.826 ( 0.000 5.676 0.000) 5.676 11.862 ( 0.000 0.476 0.000) 0.476 11.874 ( 0.000 0.590 0.000) 0.590 11.890 ( 0.000 5.268 0.000) 5.268 11.904 ( 0.000 -0.509 0.000) 0.509 11.928 ( 0.000 0.220 0.000) 0.220 12.090 ( 0.000 -2.943 0.000) 2.943 12.104 ( 0.000 -3.763 0.000) 3.763 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 -17.948 0.000) 17.948 0.962 ( 0.000 17.948 0.000) 17.948 0.964 ( 0.000 -20.434 0.000) 20.434 0.964 ( 0.000 20.434 0.000) 20.434 1.158 ( 0.000 -4.726 0.000) 4.726 1.158 ( 0.000 4.726 0.000) 4.726 1.393 ( 0.000 -2.543 0.000) 2.543 1.393 ( 0.000 2.543 0.000) 2.543 1.644 ( 0.000 -5.385 0.000) 5.385 1.644 ( 0.000 5.385 0.000) 5.385 1.669 ( 0.000 -0.196 0.000) 0.196 1.669 ( 0.000 0.196 0.000) 0.196 1.678 ( 0.000 -11.858 0.000) 11.858 1.678 ( 0.000 11.858 0.000) 11.858 1.844 ( 0.000 -30.021 0.000) 30.021 1.844 ( 0.000 30.021 0.000) 30.021 1.946 ( 0.000 -2.006 0.000) 2.006 1.946 ( 0.000 2.006 0.000) 2.006 1.957 ( 0.000 -0.975 0.000) 0.975 1.957 ( 0.000 0.975 0.000) 0.975 2.002 ( 0.000 -1.039 0.000) 1.039 2.002 ( 0.000 1.039 0.000) 1.039 2.117 ( 0.000 -5.632 0.000) 5.632 2.117 ( 0.000 5.632 0.000) 5.632 2.149 ( 0.000 -4.541 0.000) 4.541 2.149 ( 0.000 4.541 0.000) 4.541 2.235 ( 0.000 -6.239 0.000) 6.239 2.235 ( 0.000 6.239 0.000) 6.239 2.264 ( 0.000 -0.817 0.000) 0.817 2.264 ( 0.000 0.817 0.000) 0.817 2.302 ( 0.000 -1.559 0.000) 1.559 2.302 ( 0.000 1.559 0.000) 1.559 2.323 ( 0.000 -1.979 0.000) 1.979 2.323 ( 0.000 1.979 0.000) 1.979 2.391 ( 0.000 -1.313 0.000) 1.313 2.391 ( 0.000 1.313 0.000) 1.313 2.404 ( 0.000 -2.828 0.000) 2.828 2.404 ( 0.000 2.828 0.000) 2.828 2.416 ( 0.000 -3.410 0.000) 3.410 2.416 ( 0.000 3.410 0.000) 3.410 2.516 ( 0.000 -1.025 0.000) 1.025 2.516 ( 0.000 1.025 0.000) 1.025 2.541 ( 0.000 -2.495 0.000) 2.495 2.541 ( 0.000 2.495 0.000) 2.495 2.600 ( 0.000 -5.606 0.000) 5.606 2.600 ( 0.000 5.606 0.000) 5.606 2.612 ( 0.000 -1.240 0.000) 1.240 2.612 ( 0.000 1.240 0.000) 1.240 2.654 ( 0.000 -0.300 0.000) 0.300 2.654 ( 0.000 0.300 0.000) 0.300 2.715 ( 0.000 -2.463 0.000) 2.463 2.715 ( 0.000 2.463 0.000) 2.463 2.752 ( 0.000 -2.352 0.000) 2.352 2.752 ( 0.000 2.352 0.000) 2.352 2.754 ( 0.000 -1.940 0.000) 1.940 2.754 ( 0.000 1.940 0.000) 1.940 2.833 ( 0.000 -4.291 0.000) 4.291 2.833 ( 0.000 4.291 0.000) 4.291 2.854 ( 0.000 -0.930 0.000) 0.930 2.854 ( 0.000 0.930 0.000) 0.930 2.915 ( 0.000 -0.308 0.000) 0.308 2.915 ( 0.000 0.308 0.000) 0.308 2.959 ( 0.000 -1.125 0.000) 1.125 2.959 ( 0.000 1.125 0.000) 1.125 3.063 ( 0.000 -2.295 0.000) 2.295 3.063 ( 0.000 2.295 0.000) 2.295 3.119 ( 0.000 -3.953 0.000) 3.953 3.119 ( 0.000 3.953 0.000) 3.953 3.147 ( 0.000 -2.647 0.000) 2.647 3.147 ( 0.000 2.647 0.000) 2.647 3.202 ( 0.000 -4.041 0.000) 4.041 3.202 ( 0.000 4.041 0.000) 4.041 3.277 ( 0.000 -1.621 0.000) 1.621 3.277 ( 0.000 1.621 0.000) 1.621 3.361 ( 0.000 -2.772 0.000) 2.772 3.361 ( 0.000 2.772 0.000) 2.772 3.467 ( 0.000 -2.930 0.000) 2.930 3.467 ( 0.000 2.930 0.000) 2.930 3.511 ( 0.000 -0.683 0.000) 0.683 3.511 ( 0.000 0.683 0.000) 0.683 3.557 ( 0.000 -4.271 0.000) 4.271 3.557 ( 0.000 4.271 0.000) 4.271 3.905 ( 0.000 -4.292 0.000) 4.292 3.905 ( 0.000 4.292 0.000) 4.292 4.015 ( 0.000 -0.129 0.000) 0.129 4.015 ( 0.000 0.129 0.000) 0.129 4.107 ( 0.000 -2.289 0.000) 2.289 4.107 ( 0.000 2.289 0.000) 2.289 4.277 ( 0.000 -3.322 0.000) 3.322 4.277 ( 0.000 3.322 0.000) 3.322 4.413 ( 0.000 -0.585 0.000) 0.585 4.413 ( 0.000 0.585 0.000) 0.585 4.531 ( 0.000 -3.962 0.000) 3.962 4.531 ( 0.000 3.962 0.000) 3.962 4.590 ( 0.000 -0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 -1.786 0.000) 1.786 4.742 ( 0.000 1.786 0.000) 1.786 4.767 ( 0.000 -3.235 0.000) 3.235 4.767 ( 0.000 3.235 0.000) 3.235 5.101 ( 0.000 -1.588 0.000) 1.588 5.101 ( 0.000 1.588 0.000) 1.588 5.114 ( 0.000 -2.378 0.000) 2.378 5.114 ( 0.000 2.378 0.000) 2.378 5.378 ( 0.000 -2.360 0.000) 2.360 5.378 ( 0.000 2.360 0.000) 2.360 5.422 ( 0.000 -0.155 0.000) 0.155 5.422 ( 0.000 0.155 0.000) 0.155 5.495 ( 0.000 -1.388 0.000) 1.388 5.495 ( 0.000 1.388 0.000) 1.388 5.594 ( 0.000 -1.721 0.000) 1.721 5.594 ( 0.000 1.721 0.000) 1.721 6.765 ( 0.000 -0.586 0.000) 0.586 6.765 ( 0.000 0.586 0.000) 0.586 6.880 ( 0.000 -1.127 0.000) 1.127 6.880 ( 0.000 1.127 0.000) 1.127 6.902 ( 0.000 -2.138 0.000) 2.138 6.902 ( 0.000 2.138 0.000) 2.138 7.030 ( 0.000 -4.899 0.000) 4.899 7.030 ( 0.000 4.899 0.000) 4.899 7.112 ( 0.000 -4.168 0.000) 4.168 7.112 ( 0.000 4.168 0.000) 4.168 7.186 ( 0.000 -3.686 0.000) 3.686 7.186 ( 0.000 3.686 0.000) 3.686 7.456 ( 0.000 -2.717 0.000) 2.717 7.456 ( 0.000 2.717 0.000) 2.717 7.479 ( 0.000 -2.445 0.000) 2.445 7.479 ( 0.000 2.445 0.000) 2.445 7.564 ( 0.000 -1.136 0.000) 1.136 7.564 ( 0.000 1.136 0.000) 1.136 7.791 ( 0.000 -1.784 0.000) 1.784 7.791 ( 0.000 1.784 0.000) 1.784 7.797 ( 0.000 -2.001 0.000) 2.001 7.797 ( 0.000 2.001 0.000) 2.001 7.798 ( 0.000 -5.628 0.000) 5.628 7.798 ( 0.000 5.628 0.000) 5.628 7.875 ( 0.000 -1.880 0.000) 1.880 7.875 ( 0.000 1.880 0.000) 1.880 7.892 ( 0.000 -1.071 0.000) 1.071 7.892 ( 0.000 1.071 0.000) 1.071 8.077 ( 0.000 -0.246 0.000) 0.246 8.077 ( 0.000 0.246 0.000) 0.246 8.123 ( 0.000 -1.715 0.000) 1.715 8.123 ( 0.000 1.715 0.000) 1.715 8.438 ( 0.000 -0.479 0.000) 0.479 8.438 ( 0.000 0.479 0.000) 0.479 8.521 ( 0.000 -3.019 0.000) 3.019 8.521 ( 0.000 3.019 0.000) 3.019 8.566 ( 0.000 -1.133 0.000) 1.133 8.566 ( 0.000 1.133 0.000) 1.133 8.680 ( 0.000 -4.304 0.000) 4.304 8.680 ( 0.000 4.304 0.000) 4.304 8.722 ( 0.000 -0.273 0.000) 0.273 8.722 ( 0.000 0.273 0.000) 0.273 8.750 ( 0.000 -0.381 0.000) 0.381 8.750 ( 0.000 0.381 0.000) 0.381 8.831 ( 0.000 -1.405 0.000) 1.405 8.831 ( 0.000 1.405 0.000) 1.405 8.861 ( 0.000 -0.648 0.000) 0.648 8.861 ( 0.000 0.648 0.000) 0.648 8.944 ( 0.000 -0.262 0.000) 0.262 8.944 ( 0.000 0.262 0.000) 0.262 8.975 ( 0.000 -0.807 0.000) 0.807 8.975 ( 0.000 0.807 0.000) 0.807 9.364 ( 0.000 -2.718 0.000) 2.718 9.364 ( 0.000 2.718 0.000) 2.718 9.384 ( 0.000 -1.928 0.000) 1.928 9.384 ( 0.000 1.928 0.000) 1.928 9.760 ( 0.000 -1.337 0.000) 1.337 9.760 ( 0.000 1.337 0.000) 1.337 9.856 ( 0.000 -2.696 0.000) 2.696 9.856 ( 0.000 2.696 0.000) 2.696 9.859 ( 0.000 -0.463 0.000) 0.463 9.859 ( 0.000 0.463 0.000) 0.463 9.955 ( 0.000 -2.583 0.000) 2.583 9.955 ( 0.000 2.583 0.000) 2.583 10.421 ( 0.000 -6.619 0.000) 6.619 10.421 ( 0.000 6.619 0.000) 6.619 10.508 ( 0.000 -8.539 0.000) 8.539 10.508 ( 0.000 8.539 0.000) 8.539 10.801 ( 0.000 -0.239 0.000) 0.239 10.801 ( 0.000 0.239 0.000) 0.239 10.863 ( 0.000 -4.157 0.000) 4.157 10.863 ( 0.000 4.157 0.000) 4.157 11.067 ( 0.000 -1.183 0.000) 1.183 11.067 ( 0.000 1.183 0.000) 1.183 11.131 ( 0.000 -0.733 0.000) 0.733 11.131 ( 0.000 0.733 0.000) 0.733 11.382 ( 0.000 -3.849 0.000) 3.849 11.382 ( 0.000 3.849 0.000) 3.849 11.459 ( 0.000 -4.509 0.000) 4.509 11.459 ( 0.000 4.509 0.000) 4.509 11.670 ( 0.000 -4.976 0.000) 4.976 11.670 ( 0.000 4.976 0.000) 4.976 11.689 ( 0.000 -6.681 0.000) 6.681 11.689 ( 0.000 6.681 0.000) 6.681 11.815 ( 0.000 -0.739 0.000) 0.739 11.815 ( 0.000 0.739 0.000) 0.739 11.862 ( 0.000 -0.116 0.000) 0.116 11.862 ( 0.000 0.116 0.000) 0.116 11.973 ( 0.000 -1.896 0.000) 1.896 11.973 ( 0.000 1.896 0.000) 1.896 11.976 ( 0.000 -3.836 0.000) 3.836 11.976 ( 0.000 3.836 0.000) 3.836 ======================= Grid point 20 (12/30) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.444 -14.375 0.000) 14.581 0.989 ( 2.444 14.375 0.000) 14.581 1.150 ( 13.628 -16.504 0.000) 21.404 1.150 ( 13.628 16.504 0.000) 21.404 1.203 ( 4.369 -4.530 0.000) 6.293 1.203 ( 4.369 4.530 0.000) 6.293 1.450 ( 4.836 -1.475 0.000) 5.056 1.450 ( 4.836 1.475 0.000) 5.056 1.657 ( 3.344 -10.139 0.000) 10.676 1.657 ( 3.344 10.139 0.000) 10.676 1.691 ( 2.103 -0.857 0.000) 2.271 1.691 ( 2.103 0.857 0.000) 2.271 1.824 ( 9.967 -7.033 0.000) 12.199 1.824 ( 9.967 7.033 0.000) 12.199 1.957 ( 4.788 -6.060 0.000) 7.724 1.957 ( 4.788 6.060 0.000) 7.724 1.958 ( -0.054 -1.382 0.000) 1.384 1.958 ( -0.054 1.382 0.000) 1.384 2.021 ( 1.620 -1.629 0.000) 2.297 2.021 ( 1.620 1.629 0.000) 2.297 2.029 ( 11.205 -10.465 0.000) 15.332 2.029 ( 11.205 10.465 0.000) 15.332 2.129 ( -1.882 -3.021 0.000) 3.559 2.129 ( -1.882 3.021 0.000) 3.559 2.135 ( 0.977 -3.791 0.000) 3.915 2.135 ( 0.977 3.791 0.000) 3.915 2.235 ( -0.028 -3.230 0.000) 3.230 2.235 ( -0.028 3.230 0.000) 3.230 2.248 ( -0.539 -2.305 0.000) 2.367 2.248 ( -0.539 2.305 0.000) 2.367 2.320 ( 1.438 -0.582 0.000) 1.551 2.320 ( 1.438 0.582 0.000) 1.551 2.349 ( 1.948 -1.757 0.000) 2.623 2.349 ( 1.948 1.757 0.000) 2.623 2.393 ( 0.617 -2.170 0.000) 2.256 2.393 ( 0.617 2.170 0.000) 2.256 2.405 ( 0.474 -1.601 0.000) 1.669 2.405 ( 0.474 1.601 0.000) 1.669 2.438 ( 2.996 -3.650 0.000) 4.722 2.438 ( 2.996 3.650 0.000) 4.722 2.502 ( -2.445 -3.744 0.000) 4.472 2.502 ( -2.445 3.744 0.000) 4.472 2.542 ( 1.995 -1.288 0.000) 2.375 2.542 ( 1.995 1.288 0.000) 2.375 2.577 ( -3.902 -2.638 0.000) 4.710 2.577 ( -3.902 2.638 0.000) 4.710 2.623 ( 2.179 -4.120 0.000) 4.661 2.623 ( 2.179 4.120 0.000) 4.661 2.645 ( 0.216 -1.732 0.000) 1.745 2.645 ( 0.216 1.732 0.000) 1.745 2.706 ( -0.303 -2.897 0.000) 2.912 2.706 ( -0.303 2.897 0.000) 2.912 2.748 ( -0.842 -0.605 0.000) 1.037 2.748 ( -0.842 0.605 0.000) 1.037 2.784 ( 1.893 -2.957 0.000) 3.511 2.784 ( 1.893 2.957 0.000) 3.511 2.854 ( 2.070 -3.783 0.000) 4.312 2.854 ( 2.070 3.783 0.000) 4.312 2.872 ( 0.484 -0.984 0.000) 1.097 2.872 ( 0.484 0.984 0.000) 1.097 2.889 ( -1.247 -0.638 0.000) 1.401 2.889 ( -1.247 0.638 0.000) 1.401 2.951 ( -0.038 -1.995 0.000) 1.995 2.951 ( -0.038 1.995 0.000) 1.995 3.069 ( 0.376 -1.542 0.000) 1.587 3.069 ( 0.376 1.542 0.000) 1.587 3.111 ( -1.766 -1.110 0.000) 2.086 3.111 ( -1.766 1.110 0.000) 2.086 3.177 ( 2.330 -2.730 0.000) 3.589 3.177 ( 2.330 2.730 0.000) 3.589 3.233 ( 1.422 -0.851 0.000) 1.658 3.233 ( 1.422 0.851 0.000) 1.658 3.253 ( -2.016 -6.391 0.000) 6.701 3.253 ( -2.016 6.391 0.000) 6.701 3.293 ( -5.187 -2.730 0.000) 5.861 3.293 ( -5.187 2.730 0.000) 5.861 3.441 ( -1.518 -1.744 0.000) 2.312 3.441 ( -1.518 1.744 0.000) 2.312 3.470 ( -1.485 -1.656 0.000) 2.224 3.470 ( -1.485 1.656 0.000) 2.224 3.582 ( 2.791 -5.824 0.000) 6.458 3.582 ( 2.791 5.824 0.000) 6.458 3.929 ( 2.019 -3.519 0.000) 4.057 3.929 ( 2.019 3.519 0.000) 4.057 4.047 ( 2.551 -0.801 0.000) 2.674 4.047 ( 2.551 0.801 0.000) 2.674 4.121 ( 1.763 -2.790 0.000) 3.300 4.121 ( 1.763 2.790 0.000) 3.300 4.320 ( 3.656 -2.766 0.000) 4.584 4.320 ( 3.656 2.766 0.000) 4.584 4.418 ( 0.975 -1.315 0.000) 1.637 4.418 ( 0.975 1.315 0.000) 1.637 4.572 ( 3.640 -3.753 0.000) 5.228 4.572 ( 3.640 3.753 0.000) 5.228 4.671 ( 6.745 -0.206 0.000) 6.748 4.671 ( 6.745 0.206 0.000) 6.748 4.783 ( 3.687 -1.738 0.000) 4.076 4.783 ( 3.687 1.738 0.000) 4.076 4.784 ( 1.250 -2.867 0.000) 3.128 4.784 ( 1.250 2.867 0.000) 3.128 5.100 ( -0.175 -2.080 0.000) 2.087 5.100 ( -0.175 2.080 0.000) 2.087 5.119 ( 0.646 -1.079 0.000) 1.257 5.119 ( 0.646 1.079 0.000) 1.257 5.357 ( -2.045 -1.858 0.000) 2.763 5.357 ( -2.045 1.858 0.000) 2.763 5.404 ( -1.220 -0.936 0.000) 1.538 5.404 ( -1.220 0.936 0.000) 1.538 5.446 ( -4.728 -1.988 0.000) 5.129 5.446 ( -4.728 1.988 0.000) 5.129 5.545 ( -4.455 -1.688 0.000) 4.764 5.545 ( -4.455 1.688 0.000) 4.764 6.703 ( -5.333 -2.545 0.000) 5.909 6.703 ( -5.333 2.545 0.000) 5.909 6.819 ( -5.200 -3.837 0.000) 6.462 6.819 ( -5.200 3.837 0.000) 6.462 6.915 ( 0.974 -2.325 0.000) 2.521 6.915 ( 0.974 2.325 0.000) 2.521 7.037 ( 0.456 -3.833 0.000) 3.860 7.037 ( 0.456 3.833 0.000) 3.860 7.119 ( 0.685 -3.874 0.000) 3.934 7.119 ( 0.685 3.874 0.000) 3.934 7.185 ( -0.023 -3.030 0.000) 3.030 7.185 ( -0.023 3.030 0.000) 3.030 7.456 ( -0.143 -2.569 0.000) 2.573 7.456 ( -0.143 2.569 0.000) 2.573 7.494 ( 1.418 -1.928 0.000) 2.393 7.494 ( 1.418 1.928 0.000) 2.393 7.539 ( -1.683 -2.519 0.000) 3.030 7.539 ( -1.683 2.519 0.000) 3.030 7.784 ( -0.475 -2.807 0.000) 2.847 7.784 ( -0.475 2.807 0.000) 2.847 7.809 ( 0.609 -2.477 0.000) 2.551 7.809 ( 0.609 2.477 0.000) 2.551 7.814 ( 1.815 -2.209 0.000) 2.859 7.814 ( 1.815 2.209 0.000) 2.859 7.903 ( 1.440 -1.973 0.000) 2.443 7.903 ( 1.440 1.973 0.000) 2.443 7.916 ( 3.163 -0.843 0.000) 3.273 7.916 ( 3.163 0.843 0.000) 3.273 8.106 ( -1.404 -1.645 0.000) 2.162 8.106 ( -1.404 1.645 0.000) 2.162 8.110 ( 2.512 -1.509 0.000) 2.930 8.110 ( 2.512 1.509 0.000) 2.930 8.449 ( 0.721 -0.594 0.000) 0.934 8.449 ( 0.721 0.594 0.000) 0.934 8.527 ( 0.388 -2.398 0.000) 2.429 8.527 ( 0.388 2.398 0.000) 2.429 8.537 ( -1.454 -1.271 0.000) 1.931 8.537 ( -1.454 1.271 0.000) 1.931 8.671 ( -3.592 -1.192 0.000) 3.785 8.671 ( -3.592 1.192 0.000) 3.785 8.694 ( 0.788 -4.125 0.000) 4.200 8.694 ( 0.788 4.125 0.000) 4.200 8.727 ( -2.291 -0.213 0.000) 2.301 8.727 ( -2.291 0.213 0.000) 2.301 8.857 ( 1.260 -1.292 0.000) 1.804 8.857 ( 1.260 1.292 0.000) 1.804 8.885 ( 1.189 -0.026 0.000) 1.189 8.885 ( 1.189 0.026 0.000) 1.189 8.950 ( 0.777 -1.005 0.000) 1.271 8.950 ( 0.777 1.005 0.000) 1.271 8.990 ( 1.859 -1.541 0.000) 2.415 8.990 ( 1.859 1.541 0.000) 2.415 9.379 ( 1.275 -3.288 0.000) 3.527 9.379 ( 1.275 3.288 0.000) 3.527 9.384 ( -0.076 -2.058 0.000) 2.059 9.384 ( -0.076 2.058 0.000) 2.059 9.768 ( 0.673 -1.542 0.000) 1.682 9.768 ( 0.673 1.542 0.000) 1.682 9.852 ( -0.666 -2.458 0.000) 2.546 9.852 ( -0.666 2.458 0.000) 2.546 9.869 ( 0.913 -0.311 0.000) 0.964 9.869 ( 0.913 0.311 0.000) 0.964 9.937 ( -1.522 -2.519 0.000) 2.943 9.937 ( -1.522 2.519 0.000) 2.943 10.424 ( 0.410 -6.347 0.000) 6.360 10.424 ( 0.410 6.347 0.000) 6.360 10.521 ( 1.184 -8.399 0.000) 8.482 10.521 ( 1.184 8.399 0.000) 8.482 10.792 ( -0.813 -0.175 0.000) 0.832 10.792 ( -0.813 0.175 0.000) 0.832 10.852 ( -0.949 -3.782 0.000) 3.900 10.852 ( -0.949 3.782 0.000) 3.900 11.058 ( -0.831 -0.808 0.000) 1.159 11.058 ( -0.831 0.808 0.000) 1.159 11.125 ( -0.608 -0.754 0.000) 0.969 11.125 ( -0.608 0.754 0.000) 0.969 11.368 ( -1.219 -3.896 0.000) 4.082 11.368 ( -1.219 3.896 0.000) 4.082 11.442 ( -1.531 -4.375 0.000) 4.636 11.442 ( -1.531 4.375 0.000) 4.636 11.647 ( -1.866 -5.664 0.000) 5.963 11.647 ( -1.866 5.664 0.000) 5.963 11.680 ( -0.757 -6.253 0.000) 6.299 11.680 ( -0.757 6.253 0.000) 6.299 11.816 ( 0.491 -1.008 0.000) 1.121 11.816 ( 0.491 1.008 0.000) 1.121 11.862 ( 0.408 -1.448 0.000) 1.504 11.862 ( 0.408 1.448 0.000) 1.504 11.986 ( 0.800 -4.123 0.000) 4.200 11.986 ( 0.800 4.123 0.000) 4.200 12.002 ( 1.555 -4.363 0.000) 4.632 12.002 ( 1.555 4.363 0.000) 4.632 ======================= Grid point 22 (13/30) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.671 -8.561 0.000) 9.315 1.055 ( 3.671 8.561 0.000) 9.315 1.316 ( 5.671 -4.495 0.000) 7.236 1.316 ( 5.671 4.495 0.000) 7.236 1.421 ( 12.362 -13.317 0.000) 18.171 1.421 ( 12.362 13.317 0.000) 18.171 1.557 ( 4.889 -1.495 0.000) 5.113 1.557 ( 4.889 1.495 0.000) 5.113 1.743 ( 4.234 -7.348 0.000) 8.481 1.743 ( 4.234 7.348 0.000) 8.481 1.746 ( 2.619 -2.322 0.000) 3.500 1.746 ( 2.619 2.322 0.000) 3.500 1.961 ( 0.941 -2.185 0.000) 2.379 1.961 ( 0.941 2.185 0.000) 2.379 1.993 ( 0.833 -3.343 0.000) 3.446 1.993 ( 0.833 3.343 0.000) 3.446 2.037 ( 8.421 -2.249 0.000) 8.716 2.037 ( 8.421 2.249 0.000) 8.716 2.057 ( 1.601 -2.587 0.000) 3.042 2.057 ( 1.601 2.587 0.000) 3.042 2.090 ( -1.568 -1.066 0.000) 1.897 2.090 ( -1.568 1.066 0.000) 1.897 2.119 ( -2.017 -2.694 0.000) 3.365 2.119 ( -2.017 2.694 0.000) 3.365 2.170 ( -0.350 -3.815 0.000) 3.831 2.170 ( -0.350 3.815 0.000) 3.831 2.253 ( 0.486 -1.726 0.000) 1.793 2.253 ( 0.486 1.726 0.000) 1.793 2.255 ( 1.350 -3.326 0.000) 3.589 2.255 ( 1.350 3.326 0.000) 3.589 2.343 ( 1.137 -2.678 0.000) 2.910 2.343 ( 1.137 2.678 0.000) 2.910 2.346 ( -3.087 -1.601 0.000) 3.478 2.346 ( -3.087 1.601 0.000) 3.478 2.406 ( 0.284 -2.738 0.000) 2.752 2.406 ( 0.284 2.738 0.000) 2.752 2.464 ( 2.513 -2.658 0.000) 3.658 2.464 ( 2.513 2.658 0.000) 3.658 2.471 ( -0.273 -3.102 0.000) 3.114 2.471 ( -0.273 3.102 0.000) 3.114 2.509 ( -1.809 -2.877 0.000) 3.399 2.509 ( -1.809 2.877 0.000) 3.399 2.541 ( 3.049 -2.584 0.000) 3.997 2.541 ( 3.049 2.584 0.000) 3.997 2.587 ( 2.655 -3.869 0.000) 4.693 2.587 ( 2.655 3.869 0.000) 4.693 2.640 ( -1.193 -1.143 0.000) 1.652 2.640 ( -1.193 1.143 0.000) 1.652 2.680 ( 2.864 -4.819 0.000) 5.606 2.680 ( 2.864 4.819 0.000) 5.606 2.727 ( 2.057 -3.256 0.000) 3.851 2.727 ( 2.057 3.256 0.000) 3.851 2.738 ( 0.434 -0.996 0.000) 1.087 2.738 ( 0.434 0.996 0.000) 1.087 2.834 ( 2.521 -3.143 0.000) 4.029 2.834 ( 2.521 3.143 0.000) 4.029 2.844 ( -1.977 -2.150 0.000) 2.921 2.844 ( -1.977 2.150 0.000) 2.921 2.893 ( 0.086 -0.189 0.000) 0.208 2.893 ( 0.086 0.189 0.000) 0.208 2.926 ( 5.246 -3.428 0.000) 6.267 2.926 ( 5.246 3.428 0.000) 6.267 3.013 ( 8.372 -6.767 0.000) 10.765 3.013 ( 8.372 6.767 0.000) 10.765 3.065 ( 0.098 -0.767 0.000) 0.773 3.065 ( 0.098 0.767 0.000) 0.773 3.106 ( 1.059 -3.255 0.000) 3.423 3.106 ( 1.059 3.255 0.000) 3.423 3.114 ( -5.794 -5.256 0.000) 7.823 3.114 ( -5.794 5.256 0.000) 7.823 3.173 ( -3.568 -0.873 0.000) 3.673 3.173 ( -3.568 0.873 0.000) 3.673 3.209 ( -2.337 -2.088 0.000) 3.134 3.209 ( -2.337 2.088 0.000) 3.134 3.297 ( 4.393 -2.127 0.000) 4.881 3.297 ( 4.393 2.127 0.000) 4.881 3.326 ( -6.780 -0.447 0.000) 6.795 3.326 ( -6.780 0.447 0.000) 6.795 3.645 ( 14.285 -5.278 0.000) 15.229 3.645 ( 14.285 5.278 0.000) 15.229 3.691 ( 7.661 -6.205 0.000) 9.859 3.691 ( 7.661 6.205 0.000) 9.859 3.982 ( 3.256 -3.180 0.000) 4.552 3.982 ( 3.256 3.180 0.000) 4.552 4.092 ( 1.922 -2.742 0.000) 3.348 4.092 ( 1.922 2.742 0.000) 3.348 4.198 ( 5.397 -3.291 0.000) 6.321 4.198 ( 5.397 3.291 0.000) 6.321 4.400 ( 3.550 -1.629 0.000) 3.906 4.400 ( 3.550 1.629 0.000) 3.906 4.461 ( 3.068 -2.680 0.000) 4.073 4.461 ( 3.068 2.680 0.000) 4.073 4.658 ( 4.111 -2.700 0.000) 4.919 4.658 ( 4.111 2.700 0.000) 4.919 4.799 ( -0.094 -1.864 0.000) 1.866 4.799 ( -0.094 1.864 0.000) 1.866 4.817 ( 6.189 -1.637 0.000) 6.402 4.817 ( 6.189 1.637 0.000) 6.402 4.873 ( 4.713 -0.714 0.000) 4.767 4.873 ( 4.713 0.714 0.000) 4.767 5.095 ( -0.496 -1.952 0.000) 2.014 5.095 ( -0.496 1.952 0.000) 2.014 5.132 ( 0.311 -0.974 0.000) 1.023 5.132 ( 0.311 0.974 0.000) 1.023 5.276 ( -6.362 -2.226 0.000) 6.740 5.276 ( -6.362 2.226 0.000) 6.740 5.304 ( -8.636 -3.220 0.000) 9.217 5.304 ( -8.636 3.220 0.000) 9.217 5.393 ( 0.270 -0.997 0.000) 1.033 5.393 ( 0.270 0.997 0.000) 1.033 5.441 ( -4.390 -0.811 0.000) 4.464 5.441 ( -4.390 0.811 0.000) 4.464 6.573 ( -6.608 -4.433 0.000) 7.957 6.573 ( -6.608 4.433 0.000) 7.957 6.695 ( -6.271 -6.163 0.000) 8.793 6.695 ( -6.271 6.163 0.000) 8.793 6.935 ( 0.864 -2.251 0.000) 2.411 6.935 ( 0.864 2.251 0.000) 2.411 7.044 ( 0.223 -2.853 0.000) 2.862 7.044 ( 0.223 2.853 0.000) 2.862 7.137 ( 0.959 -3.832 0.000) 3.950 7.137 ( 0.959 3.832 0.000) 3.950 7.187 ( 0.253 -2.516 0.000) 2.529 7.187 ( 0.253 2.516 0.000) 2.529 7.448 ( -0.505 -2.782 0.000) 2.828 7.448 ( -0.505 2.782 0.000) 2.828 7.514 ( -0.614 -3.780 0.000) 3.830 7.514 ( -0.614 3.780 0.000) 3.830 7.537 ( 2.713 -0.727 0.000) 2.808 7.537 ( 2.713 0.727 0.000) 2.808 7.784 ( 0.325 -1.976 0.000) 2.002 7.784 ( 0.325 1.976 0.000) 2.002 7.809 ( -0.383 -2.464 0.000) 2.494 7.809 ( -0.383 2.464 0.000) 2.494 7.858 ( 2.278 -2.203 0.000) 3.169 7.858 ( 2.278 2.203 0.000) 3.169 7.950 ( 2.413 -2.186 0.000) 3.256 7.950 ( 2.413 2.186 0.000) 3.256 7.987 ( 3.544 -0.845 0.000) 3.643 7.987 ( 3.544 0.845 0.000) 3.643 8.075 ( -1.307 -0.484 0.000) 1.394 8.075 ( -1.307 0.484 0.000) 1.394 8.159 ( 1.953 -2.532 0.000) 3.198 8.159 ( 1.953 2.532 0.000) 3.198 8.454 ( 0.000 -1.026 0.000) 1.026 8.454 ( 0.000 1.026 0.000) 1.026 8.524 ( -1.059 -0.455 0.000) 1.152 8.524 ( -1.059 0.455 0.000) 1.152 8.542 ( 1.750 -0.995 0.000) 2.013 8.542 ( 1.750 0.995 0.000) 2.013 8.601 ( -2.847 -1.152 0.000) 3.071 8.601 ( -2.847 1.152 0.000) 3.071 8.671 ( -2.635 -0.259 0.000) 2.648 8.671 ( -2.635 0.259 0.000) 2.648 8.695 ( -0.810 -2.897 0.000) 3.008 8.695 ( -0.810 2.897 0.000) 3.008 8.860 ( -0.627 -0.141 0.000) 0.642 8.860 ( -0.627 0.141 0.000) 0.642 8.889 ( -0.496 -0.189 0.000) 0.531 8.889 ( -0.496 0.189 0.000) 0.531 8.979 ( 1.767 -2.408 0.000) 2.987 8.979 ( 1.767 2.408 0.000) 2.987 9.052 ( 3.604 -2.331 0.000) 4.293 9.052 ( 3.604 2.331 0.000) 4.293 9.378 ( -0.477 -2.042 0.000) 2.097 9.378 ( -0.477 2.042 0.000) 2.097 9.405 ( 1.046 -3.476 0.000) 3.630 9.405 ( 1.046 3.476 0.000) 3.630 9.785 ( 0.962 -2.046 0.000) 2.261 9.785 ( 0.962 2.046 0.000) 2.261 9.819 ( -2.483 -1.611 0.000) 2.960 9.819 ( -2.483 1.611 0.000) 2.960 9.893 ( 1.370 -0.079 0.000) 1.372 9.893 ( 1.370 0.079 0.000) 1.372 9.905 ( -1.454 -1.342 0.000) 1.979 9.905 ( -1.454 1.342 0.000) 1.979 10.438 ( 0.873 -5.886 0.000) 5.951 10.438 ( 0.873 5.886 0.000) 5.951 10.553 ( 1.857 -8.239 0.000) 8.446 10.553 ( 1.857 8.239 0.000) 8.446 10.769 ( -1.351 -0.072 0.000) 1.353 10.769 ( -1.351 0.072 0.000) 1.353 10.830 ( -1.042 -2.944 0.000) 3.123 10.830 ( -1.042 2.944 0.000) 3.123 11.038 ( -1.026 -0.322 0.000) 1.075 11.038 ( -1.026 0.322 0.000) 1.075 11.107 ( -1.081 -0.287 0.000) 1.118 11.107 ( -1.081 0.287 0.000) 1.118 11.338 ( -1.547 -4.090 0.000) 4.373 11.338 ( -1.547 4.090 0.000) 4.373 11.402 ( -2.158 -4.235 0.000) 4.753 11.402 ( -2.158 4.235 0.000) 4.753 11.610 ( -1.459 -5.441 0.000) 5.634 11.610 ( -1.459 5.441 0.000) 5.634 11.662 ( -0.863 -5.519 0.000) 5.586 11.662 ( -0.863 5.519 0.000) 5.586 11.837 ( 1.313 -1.018 0.000) 1.661 11.837 ( 1.313 1.018 0.000) 1.661 11.876 ( 0.760 -1.133 0.000) 1.365 11.876 ( 0.760 1.133 0.000) 1.365 12.000 ( 0.440 -4.645 0.000) 4.666 12.000 ( 0.440 4.645 0.000) 4.666 12.015 ( -0.150 -5.699 0.000) 5.701 12.015 ( -0.150 5.699 0.000) 5.701 ======================= Grid point 24 (14/30) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 2.950 -3.762 0.000) 4.781 1.127 ( 2.950 3.762 0.000) 4.781 1.401 ( 2.252 -2.953 0.000) 3.714 1.401 ( 2.252 2.953 0.000) 3.714 1.641 ( 3.168 -4.057 0.000) 5.147 1.641 ( 3.168 4.057 0.000) 5.147 1.650 ( 9.258 -9.391 0.000) 13.187 1.650 ( 9.258 9.391 0.000) 13.187 1.780 ( 0.699 -1.547 0.000) 1.698 1.780 ( 0.699 1.547 0.000) 1.698 1.818 ( 2.765 -4.702 0.000) 5.454 1.818 ( 2.765 4.702 0.000) 5.454 1.967 ( -2.334 -1.600 0.000) 2.830 1.967 ( -2.334 1.600 0.000) 2.830 1.995 ( 1.406 -2.809 0.000) 3.141 1.995 ( 1.406 2.809 0.000) 3.141 2.049 ( -1.526 -0.654 0.000) 1.660 2.049 ( -1.526 0.654 0.000) 1.660 2.058 ( -2.884 -2.713 0.000) 3.960 2.058 ( -2.884 2.713 0.000) 3.960 2.100 ( 1.805 -1.086 0.000) 2.106 2.100 ( 1.805 1.086 0.000) 2.106 2.144 ( 0.733 -3.650 0.000) 3.723 2.144 ( 0.733 3.650 0.000) 3.723 2.193 ( 3.102 -2.990 0.000) 4.309 2.193 ( 3.102 2.990 0.000) 4.309 2.253 ( -0.033 -1.266 0.000) 1.267 2.253 ( -0.033 1.266 0.000) 1.267 2.270 ( 0.814 -3.835 0.000) 3.920 2.270 ( 0.814 3.835 0.000) 3.920 2.305 ( 0.150 -2.931 0.000) 2.935 2.305 ( 0.150 2.931 0.000) 2.935 2.355 ( 0.120 -2.340 0.000) 2.343 2.355 ( 0.120 2.340 0.000) 2.343 2.407 ( -0.736 -2.765 0.000) 2.861 2.407 ( -0.736 2.765 0.000) 2.861 2.454 ( -1.066 -2.646 0.000) 2.853 2.454 ( -1.066 2.646 0.000) 2.853 2.473 ( -1.243 -1.901 0.000) 2.271 2.473 ( -1.243 1.901 0.000) 2.271 2.510 ( 0.823 -3.661 0.000) 3.752 2.510 ( 0.823 3.661 0.000) 3.752 2.555 ( 0.874 -2.412 0.000) 2.566 2.555 ( 0.874 2.412 0.000) 2.566 2.609 ( -1.585 -1.740 0.000) 2.353 2.609 ( -1.585 1.740 0.000) 2.353 2.624 ( 0.851 -1.472 0.000) 1.700 2.624 ( 0.851 1.472 0.000) 1.700 2.672 ( -1.832 -4.026 0.000) 4.423 2.672 ( -1.832 4.026 0.000) 4.423 2.725 ( -1.577 -0.808 0.000) 1.772 2.725 ( -1.577 0.808 0.000) 1.772 2.767 ( 0.575 -2.154 0.000) 2.230 2.767 ( 0.575 2.154 0.000) 2.230 2.797 ( -2.535 -2.530 0.000) 3.582 2.797 ( -2.535 2.530 0.000) 3.582 2.858 ( 0.440 -2.096 0.000) 2.142 2.858 ( 0.440 2.096 0.000) 2.142 2.903 ( 1.544 -0.459 0.000) 1.610 2.903 ( 1.544 0.459 0.000) 1.610 2.984 ( 1.191 -0.898 0.000) 1.491 2.984 ( 1.191 0.898 0.000) 1.491 3.020 ( -3.231 -4.030 0.000) 5.166 3.020 ( -3.231 4.030 0.000) 5.166 3.061 ( -0.030 -2.204 0.000) 2.204 3.061 ( -0.030 2.204 0.000) 2.204 3.106 ( 0.288 -0.272 0.000) 0.396 3.106 ( 0.288 0.272 0.000) 0.396 3.152 ( -3.044 -0.371 0.000) 3.067 3.152 ( -3.044 0.371 0.000) 3.067 3.172 ( 2.902 -3.085 0.000) 4.236 3.172 ( 2.902 3.085 0.000) 4.236 3.211 ( 2.505 -3.045 0.000) 3.942 3.211 ( 2.505 3.045 0.000) 3.942 3.222 ( -2.541 -1.853 0.000) 3.145 3.222 ( -2.541 1.853 0.000) 3.145 3.529 ( 15.770 -7.087 0.000) 17.290 3.529 ( 15.770 7.087 0.000) 17.290 3.862 ( 7.901 -2.450 0.000) 8.272 3.862 ( 7.901 2.450 0.000) 8.272 3.958 ( 14.479 -3.487 0.000) 14.893 3.958 ( 14.479 3.487 0.000) 14.893 4.059 ( 3.742 -4.008 0.000) 5.483 4.059 ( 3.742 4.008 0.000) 5.483 4.139 ( 2.728 -4.808 0.000) 5.528 4.139 ( 2.728 4.808 0.000) 5.528 4.327 ( 7.192 -2.422 0.000) 7.589 4.327 ( 7.192 2.422 0.000) 7.589 4.456 ( 1.911 -1.251 0.000) 2.284 4.456 ( 1.911 1.251 0.000) 2.284 4.525 ( 2.629 -3.105 0.000) 4.069 4.525 ( 2.629 3.105 0.000) 4.069 4.723 ( 2.009 -1.321 0.000) 2.404 4.723 ( 2.009 1.321 0.000) 2.404 4.778 ( -1.832 -1.157 0.000) 2.167 4.778 ( -1.832 1.157 0.000) 2.167 4.867 ( -2.319 -2.718 0.000) 3.573 4.867 ( -2.319 2.718 0.000) 3.573 4.970 ( 3.975 -3.832 0.000) 5.521 4.970 ( 3.975 3.832 0.000) 5.521 4.990 ( -11.401 -3.689 0.000) 11.983 4.990 ( -11.401 3.689 0.000) 11.983 5.129 ( -0.375 -0.879 0.000) 0.956 5.129 ( -0.375 0.879 0.000) 0.956 5.134 ( -5.896 -2.465 0.000) 6.390 5.134 ( -5.896 2.465 0.000) 6.390 5.183 ( -0.168 -1.298 0.000) 1.309 5.183 ( -0.168 1.298 0.000) 1.309 5.376 ( -1.689 -1.274 0.000) 2.116 5.376 ( -1.689 1.274 0.000) 2.116 5.417 ( 1.092 -1.621 0.000) 1.955 5.417 ( 1.092 1.621 0.000) 1.955 6.454 ( -4.399 -5.670 0.000) 7.176 6.454 ( -4.399 5.670 0.000) 7.176 6.583 ( -4.130 -7.440 0.000) 8.510 6.583 ( -4.130 7.440 0.000) 8.510 6.950 ( 0.612 -1.467 0.000) 1.589 6.950 ( 0.612 1.467 0.000) 1.589 7.048 ( 0.130 -1.670 0.000) 1.675 7.048 ( 0.130 1.670 0.000) 1.675 7.154 ( 0.613 -4.375 0.000) 4.417 7.154 ( 0.613 4.375 0.000) 4.417 7.193 ( 0.265 -4.856 0.000) 4.863 7.193 ( 0.265 4.856 0.000) 4.863 7.439 ( -0.333 -3.197 0.000) 3.215 7.439 ( -0.333 3.197 0.000) 3.215 7.509 ( -0.069 -4.505 0.000) 4.505 7.509 ( -0.069 4.505 0.000) 4.505 7.597 ( 2.694 -0.667 0.000) 2.775 7.597 ( 2.694 0.667 0.000) 2.775 7.789 ( 0.066 -1.289 0.000) 1.291 7.789 ( 0.066 1.289 0.000) 1.291 7.802 ( -0.228 -2.662 0.000) 2.671 7.802 ( -0.228 2.662 0.000) 2.671 7.900 ( 1.591 -1.752 0.000) 2.367 7.900 ( 1.591 1.752 0.000) 2.367 7.974 ( -0.170 -2.504 0.000) 2.509 7.974 ( -0.170 2.504 0.000) 2.509 8.056 ( 3.002 -0.213 0.000) 3.010 8.056 ( 3.002 0.213 0.000) 3.010 8.067 ( 0.498 -4.052 0.000) 4.083 8.067 ( 0.498 4.052 0.000) 4.083 8.184 ( 0.474 -3.570 0.000) 3.602 8.184 ( 0.474 3.570 0.000) 3.602 8.463 ( 0.891 -1.186 0.000) 1.483 8.463 ( 0.891 1.186 0.000) 1.483 8.487 ( -1.940 -1.188 0.000) 2.275 8.487 ( -1.940 1.188 0.000) 2.275 8.559 ( -1.387 -0.991 0.000) 1.704 8.559 ( -1.387 0.991 0.000) 1.704 8.581 ( 1.363 -1.845 0.000) 2.294 8.581 ( 1.363 1.845 0.000) 2.294 8.631 ( -1.206 -0.503 0.000) 1.306 8.631 ( -1.206 0.503 0.000) 1.306 8.671 ( -1.053 -0.985 0.000) 1.442 8.671 ( -1.053 0.985 0.000) 1.442 8.846 ( -0.591 -1.135 0.000) 1.280 8.846 ( -0.591 1.135 0.000) 1.280 8.877 ( -0.513 -0.132 0.000) 0.530 8.877 ( -0.513 0.132 0.000) 0.530 9.010 ( 1.082 -2.907 0.000) 3.102 9.010 ( 1.082 2.907 0.000) 3.102 9.118 ( 2.430 -2.684 0.000) 3.621 9.118 ( 2.430 2.684 0.000) 3.621 9.366 ( -0.560 -1.359 0.000) 1.470 9.366 ( -0.560 1.359 0.000) 1.470 9.417 ( 0.127 -2.153 0.000) 2.157 9.417 ( 0.127 2.153 0.000) 2.157 9.767 ( -2.070 -2.041 0.000) 2.907 9.767 ( -2.070 2.041 0.000) 2.907 9.803 ( 0.686 -2.587 0.000) 2.677 9.803 ( 0.686 2.587 0.000) 2.677 9.878 ( -1.078 -0.726 0.000) 1.299 9.878 ( -1.078 0.726 0.000) 1.299 9.919 ( 1.008 -0.330 0.000) 1.061 9.919 ( 1.008 0.330 0.000) 1.061 10.456 ( 0.732 -5.462 0.000) 5.511 10.456 ( 0.732 5.462 0.000) 5.511 10.590 ( 1.497 -8.357 0.000) 8.490 10.590 ( 1.497 8.357 0.000) 8.490 10.743 ( -1.050 -0.105 0.000) 1.055 10.743 ( -1.050 0.105 0.000) 1.055 10.813 ( -0.635 -1.860 0.000) 1.966 10.813 ( -0.635 1.860 0.000) 1.966 11.019 ( -0.678 -0.096 0.000) 0.684 11.019 ( -0.678 0.096 0.000) 0.684 11.084 ( -0.956 -0.414 0.000) 1.042 11.084 ( -0.956 0.414 0.000) 1.042 11.310 ( -1.041 -4.307 0.000) 4.431 11.310 ( -1.041 4.307 0.000) 4.431 11.363 ( -1.411 -4.159 0.000) 4.392 11.363 ( -1.411 4.159 0.000) 4.392 11.590 ( -0.583 -4.967 0.000) 5.001 11.590 ( -0.583 4.967 0.000) 5.001 11.647 ( -0.552 -5.032 0.000) 5.062 11.647 ( -0.552 5.032 0.000) 5.062 11.862 ( 1.016 -0.614 0.000) 1.187 11.862 ( 1.016 0.614 0.000) 1.187 11.888 ( 0.334 -0.912 0.000) 0.971 11.888 ( 0.334 0.912 0.000) 0.971 12.004 ( 0.005 -4.937 0.000) 4.937 12.004 ( 0.005 4.937 0.000) 4.937 12.006 ( -0.543 -5.712 0.000) 5.738 12.006 ( -0.543 5.712 0.000) 5.738 ======================= Grid point 26 (15/30) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 -1.699 0.000) 1.699 1.160 ( 0.000 1.699 0.000) 1.699 1.420 ( 0.000 -0.210 0.000) 0.210 1.420 ( 0.000 0.210 0.000) 0.210 1.677 ( 0.000 -4.701 0.000) 4.701 1.677 ( 0.000 4.701 0.000) 4.701 1.762 ( 0.000 -3.242 0.000) 3.242 1.762 ( 0.000 3.242 0.000) 3.242 1.784 ( 0.000 -0.866 0.000) 0.866 1.784 ( 0.000 0.866 0.000) 0.866 1.840 ( 0.000 -3.962 0.000) 3.962 1.840 ( 0.000 3.962 0.000) 3.962 1.934 ( 0.000 -2.658 0.000) 2.658 1.934 ( 0.000 2.658 0.000) 2.658 2.013 ( 0.000 -0.101 0.000) 0.101 2.013 ( 0.000 0.101 0.000) 0.101 2.025 ( -0.000 -2.113 0.000) 2.113 2.025 ( 0.000 2.113 0.000) 2.113 2.040 ( 0.000 -3.829 0.000) 3.829 2.040 ( 0.000 3.829 0.000) 3.829 2.123 ( 0.000 -0.293 0.000) 0.293 2.123 ( 0.000 0.293 0.000) 0.293 2.127 ( 0.000 -3.789 0.000) 3.789 2.127 ( -0.000 3.789 0.000) 3.789 2.236 ( -0.000 -0.039 0.000) 0.039 2.236 ( 0.000 0.039 0.000) 0.039 2.265 ( 0.000 -3.855 0.000) 3.855 2.265 ( 0.000 3.855 0.000) 3.855 2.281 ( 0.000 -4.950 0.000) 4.950 2.281 ( 0.000 4.950 0.000) 4.950 2.322 ( 0.000 -2.162 0.000) 2.162 2.322 ( -0.000 2.162 0.000) 2.162 2.356 ( 0.000 -0.318 0.000) 0.318 2.356 ( 0.000 0.318 0.000) 0.318 2.381 ( -0.000 -0.337 0.000) 0.337 2.381 ( 0.000 0.337 0.000) 0.337 2.440 ( 0.000 -2.400 0.000) 2.400 2.440 ( 0.000 2.400 0.000) 2.400 2.446 ( 0.000 -0.090 0.000) 0.090 2.446 ( 0.000 0.090 0.000) 0.090 2.509 ( 0.000 -2.374 0.000) 2.374 2.509 ( 0.000 2.374 0.000) 2.374 2.578 ( 0.000 -3.009 0.000) 3.009 2.578 ( 0.000 3.009 0.000) 3.009 2.600 ( 0.000 -1.361 0.000) 1.361 2.600 ( -0.000 1.361 0.000) 1.361 2.630 ( 0.000 -2.613 0.000) 2.613 2.630 ( 0.000 2.613 0.000) 2.613 2.648 ( 0.000 -4.171 0.000) 4.171 2.648 ( 0.000 4.171 0.000) 4.171 2.715 ( -0.000 -2.248 0.000) 2.248 2.715 ( 0.000 2.248 0.000) 2.248 2.754 ( 0.000 -2.088 0.000) 2.088 2.754 ( -0.000 2.088 0.000) 2.088 2.765 ( 0.000 -1.729 0.000) 1.729 2.765 ( 0.000 1.729 0.000) 1.729 2.864 ( 0.000 -2.037 0.000) 2.037 2.864 ( 0.000 2.037 0.000) 2.037 2.934 ( 0.000 -0.832 0.000) 0.832 2.934 ( 0.000 0.832 0.000) 0.832 2.978 ( 0.000 -1.068 0.000) 1.068 2.978 ( 0.000 1.068 0.000) 1.068 2.994 ( 0.000 -0.041 0.000) 0.041 2.994 ( 0.000 0.041 0.000) 0.041 3.058 ( 0.000 -2.089 0.000) 2.089 3.058 ( 0.000 2.089 0.000) 2.089 3.116 ( 0.000 -0.514 0.000) 0.514 3.116 ( 0.000 0.514 0.000) 0.514 3.121 ( 0.000 -1.623 0.000) 1.623 3.121 ( 0.000 1.623 0.000) 1.623 3.200 ( -0.000 -6.489 0.000) 6.489 3.200 ( 0.000 6.489 0.000) 6.489 3.202 ( 0.000 -2.614 0.000) 2.614 3.202 ( 0.000 2.614 0.000) 2.614 3.227 ( -0.000 -6.868 0.000) 6.868 3.227 ( 0.000 6.868 0.000) 6.868 3.703 ( 0.000 -3.537 0.000) 3.537 3.703 ( 0.000 3.537 0.000) 3.537 3.962 ( 0.000 -0.086 0.000) 0.086 3.962 ( 0.000 0.086 0.000) 0.086 4.108 ( -0.000 -5.361 0.000) 5.361 4.108 ( 0.000 5.361 0.000) 5.361 4.142 ( 0.000 -3.230 0.000) 3.230 4.142 ( -0.000 3.230 0.000) 3.230 4.177 ( 0.000 -6.341 0.000) 6.341 4.177 ( 0.000 6.341 0.000) 6.341 4.460 ( -0.000 -0.058 0.000) 0.058 4.460 ( 0.000 0.058 0.000) 0.058 4.477 ( 0.000 -1.169 0.000) 1.169 4.477 ( 0.000 1.169 0.000) 1.169 4.554 ( 0.000 -1.479 0.000) 1.479 4.554 ( 0.000 1.479 0.000) 1.479 4.711 ( 0.000 -2.501 0.000) 2.501 4.711 ( 0.000 2.501 0.000) 2.501 4.759 ( -0.000 -1.791 0.000) 1.791 4.759 ( 0.000 1.791 0.000) 1.791 4.796 ( 0.000 -0.909 0.000) 0.909 4.796 ( 0.000 0.909 0.000) 0.909 4.815 ( 0.000 -3.465 0.000) 3.465 4.815 ( 0.000 3.465 0.000) 3.465 5.013 ( 0.000 -3.931 0.000) 3.931 5.013 ( 0.000 3.931 0.000) 3.931 5.087 ( 0.000 -0.284 0.000) 0.284 5.087 ( -0.000 0.284 0.000) 0.284 5.123 ( 0.000 -0.150 0.000) 0.150 5.123 ( 0.000 0.150 0.000) 0.150 5.194 ( 0.000 -0.656 0.000) 0.656 5.194 ( 0.000 0.656 0.000) 0.656 5.357 ( 0.000 -2.277 0.000) 2.277 5.357 ( 0.000 2.277 0.000) 2.277 5.431 ( 0.000 -1.376 0.000) 1.376 5.431 ( 0.000 1.376 0.000) 1.376 6.407 ( 0.000 -6.100 0.000) 6.100 6.407 ( 0.000 6.100 0.000) 6.100 6.538 ( 0.000 -7.837 0.000) 7.837 6.538 ( 0.000 7.837 0.000) 7.837 6.957 ( 0.000 -0.356 0.000) 0.356 6.957 ( 0.000 0.356 0.000) 0.356 7.049 ( 0.000 -0.468 0.000) 0.468 7.049 ( 0.000 0.468 0.000) 0.468 7.161 ( 0.000 -4.540 0.000) 4.540 7.161 ( 0.000 4.540 0.000) 4.540 7.196 ( 0.000 -5.957 0.000) 5.957 7.196 ( 0.000 5.957 0.000) 5.957 7.436 ( 0.000 -3.278 0.000) 3.278 7.436 ( 0.000 3.278 0.000) 3.278 7.508 ( 0.000 -4.757 0.000) 4.757 7.508 ( 0.000 4.757 0.000) 4.757 7.629 ( 0.000 -1.339 0.000) 1.339 7.629 ( 0.000 1.339 0.000) 1.339 7.789 ( 0.000 -1.248 0.000) 1.248 7.789 ( 0.000 1.248 0.000) 1.248 7.800 ( 0.000 -2.779 0.000) 2.779 7.800 ( 0.000 2.779 0.000) 2.779 7.917 ( 0.000 -1.513 0.000) 1.513 7.917 ( 0.000 1.513 0.000) 1.513 7.967 ( 0.000 -4.529 0.000) 4.529 7.967 ( 0.000 4.529 0.000) 4.529 8.076 ( 0.000 -5.733 0.000) 5.733 8.076 ( 0.000 5.733 0.000) 5.733 8.093 ( 0.000 -0.991 0.000) 0.991 8.093 ( 0.000 0.991 0.000) 0.991 8.185 ( 0.000 -4.837 0.000) 4.837 8.185 ( 0.000 4.837 0.000) 4.837 8.464 ( 0.000 -1.219 0.000) 1.219 8.464 ( 0.000 1.219 0.000) 1.219 8.477 ( 0.000 -0.853 0.000) 0.853 8.477 ( 0.000 0.853 0.000) 0.853 8.544 ( 0.000 -0.684 0.000) 0.684 8.544 ( 0.000 0.684 0.000) 0.684 8.590 ( 0.000 -1.063 0.000) 1.063 8.590 ( 0.000 1.063 0.000) 1.063 8.619 ( 0.000 -0.529 0.000) 0.529 8.619 ( 0.000 0.529 0.000) 0.529 8.663 ( 0.000 -0.429 0.000) 0.429 8.663 ( 0.000 0.429 0.000) 0.429 8.840 ( 0.000 -1.605 0.000) 1.605 8.840 ( 0.000 1.605 0.000) 1.605 8.871 ( 0.000 -0.211 0.000) 0.211 8.871 ( 0.000 0.211 0.000) 0.211 9.021 ( 0.000 -3.064 0.000) 3.064 9.021 ( 0.000 3.064 0.000) 3.064 9.144 ( 0.000 -2.794 0.000) 2.794 9.144 ( 0.000 2.794 0.000) 2.794 9.360 ( 0.000 -0.228 0.000) 0.228 9.360 ( 0.000 0.228 0.000) 0.228 9.417 ( 0.000 -0.391 0.000) 0.391 9.417 ( 0.000 0.391 0.000) 0.391 9.745 ( 0.000 -2.296 0.000) 2.296 9.745 ( 0.000 2.296 0.000) 2.296 9.811 ( 0.000 -2.829 0.000) 2.829 9.811 ( 0.000 2.829 0.000) 2.829 9.866 ( 0.000 -0.048 0.000) 0.048 9.866 ( 0.000 0.048 0.000) 0.048 9.930 ( 0.000 -0.417 0.000) 0.417 9.930 ( 0.000 0.417 0.000) 0.417 10.464 ( 0.000 -5.293 0.000) 5.293 10.464 ( 0.000 5.293 0.000) 5.293 10.607 ( 0.000 -8.514 0.000) 8.514 10.607 ( 0.000 8.514 0.000) 8.514 10.731 ( 0.000 -0.081 0.000) 0.081 10.731 ( 0.000 0.081 0.000) 0.081 10.806 ( 0.000 -0.827 0.000) 0.827 10.806 ( 0.000 0.827 0.000) 0.827 11.012 ( 0.000 -0.104 0.000) 0.104 11.012 ( 0.000 0.104 0.000) 0.104 11.073 ( 0.000 -0.616 0.000) 0.616 11.073 ( 0.000 0.616 0.000) 0.616 11.299 ( 0.000 -4.396 0.000) 4.396 11.299 ( 0.000 4.396 0.000) 4.396 11.348 ( 0.000 -4.120 0.000) 4.120 11.348 ( 0.000 4.120 0.000) 4.120 11.584 ( 0.000 -4.800 0.000) 4.800 11.584 ( 0.000 4.800 0.000) 4.800 11.641 ( 0.000 -4.878 0.000) 4.878 11.641 ( 0.000 4.878 0.000) 4.878 11.873 ( 0.000 -0.373 0.000) 0.373 11.873 ( 0.000 0.373 0.000) 0.373 11.890 ( 0.000 -0.838 0.000) 0.838 11.890 ( 0.000 0.838 0.000) 0.838 11.999 ( 0.000 -5.627 0.000) 5.627 11.999 ( 0.000 5.627 0.000) 5.627 12.004 ( 0.000 -5.002 0.000) 5.002 12.004 ( 0.000 5.002 0.000) 5.002 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 0.000 20.790) 20.790 0.480 ( 0.000 0.000 24.144) 24.144 0.779 ( 0.000 0.000 -16.294) 16.294 0.858 ( 0.000 0.000 18.445) 18.445 0.963 ( 0.000 0.000 4.329) 4.329 1.416 ( 0.000 0.000 -0.803) 0.803 1.431 ( 0.000 0.000 3.524) 3.524 1.465 ( 0.000 0.000 1.587) 1.587 1.476 ( 0.000 0.000 -0.624) 0.624 1.579 ( 0.000 0.000 8.950) 8.950 1.614 ( 0.000 0.000 -13.387) 13.387 1.690 ( 0.000 0.000 1.233) 1.233 1.709 ( 0.000 0.000 -0.233) 0.233 1.715 ( 0.000 0.000 -11.465) 11.465 1.812 ( 0.000 0.000 7.859) 7.859 1.824 ( 0.000 0.000 -1.436) 1.436 1.874 ( 0.000 0.000 -5.794) 5.794 1.940 ( 0.000 0.000 2.222) 2.222 1.954 ( 0.000 0.000 0.787) 0.787 1.963 ( 0.000 0.000 1.817) 1.817 1.971 ( 0.000 0.000 -7.629) 7.629 2.055 ( 0.000 0.000 -7.685) 7.685 2.108 ( 0.000 0.000 4.180) 4.180 2.120 ( 0.000 0.000 -1.740) 1.740 2.139 ( 0.000 0.000 -5.153) 5.153 2.141 ( 0.000 0.000 2.351) 2.351 2.176 ( 0.000 0.000 0.422) 0.422 2.192 ( 0.000 0.000 -4.191) 4.191 2.236 ( 0.000 0.000 -2.946) 2.946 2.254 ( 0.000 0.000 -2.263) 2.263 2.272 ( 0.000 0.000 3.499) 3.499 2.308 ( 0.000 0.000 0.411) 0.411 2.316 ( 0.000 0.000 1.317) 1.317 2.347 ( 0.000 0.000 -1.335) 1.335 2.383 ( 0.000 0.000 -0.474) 0.474 2.386 ( 0.000 0.000 -0.179) 0.179 2.414 ( 0.000 0.000 -1.887) 1.887 2.415 ( 0.000 0.000 0.158) 0.158 2.419 ( 0.000 0.000 -2.306) 2.306 2.428 ( 0.000 0.000 -0.573) 0.573 2.465 ( 0.000 0.000 3.875) 3.875 2.514 ( 0.000 0.000 0.165) 0.165 2.545 ( 0.000 0.000 0.914) 0.914 2.561 ( 0.000 0.000 -1.310) 1.310 2.564 ( 0.000 0.000 5.432) 5.432 2.600 ( 0.000 0.000 -0.522) 0.522 2.602 ( 0.000 0.000 1.670) 1.670 2.623 ( 0.000 0.000 0.960) 0.960 2.623 ( 0.000 0.000 -1.507) 1.507 2.648 ( 0.000 0.000 -0.812) 0.812 2.687 ( 0.000 0.000 2.877) 2.877 2.702 ( 0.000 0.000 -0.136) 0.136 2.712 ( 0.000 0.000 -1.239) 1.239 2.735 ( 0.000 0.000 0.912) 0.912 2.752 ( 0.000 0.000 -1.464) 1.464 2.764 ( 0.000 0.000 -1.601) 1.601 2.851 ( 0.000 0.000 -0.587) 0.587 2.859 ( 0.000 0.000 3.435) 3.435 2.861 ( 0.000 0.000 -1.668) 1.668 2.948 ( 0.000 0.000 -3.829) 3.829 2.957 ( 0.000 0.000 1.953) 1.953 2.988 ( 0.000 0.000 -0.085) 0.085 3.005 ( 0.000 0.000 0.966) 0.966 3.022 ( 0.000 0.000 -0.843) 0.843 3.088 ( 0.000 0.000 -0.404) 0.404 3.097 ( 0.000 0.000 -0.897) 0.897 3.189 ( 0.000 0.000 0.879) 0.879 3.204 ( 0.000 0.000 -0.438) 0.438 3.211 ( 0.000 0.000 2.555) 2.555 3.224 ( 0.000 0.000 0.853) 0.853 3.236 ( 0.000 0.000 2.545) 2.545 3.256 ( 0.000 0.000 -1.651) 1.651 3.268 ( 0.000 0.000 -0.268) 0.268 3.289 ( 0.000 0.000 -5.290) 5.290 3.372 ( 0.000 0.000 1.975) 1.975 3.406 ( 0.000 0.000 -1.051) 1.051 3.461 ( 0.000 0.000 5.483) 5.483 3.503 ( 0.000 0.000 -0.344) 0.344 3.509 ( 0.000 0.000 -1.293) 1.293 3.512 ( 0.000 0.000 -1.294) 1.294 3.609 ( 0.000 0.000 14.808) 14.808 3.676 ( 0.000 0.000 7.322) 7.322 3.804 ( 0.000 0.000 -5.213) 5.213 3.896 ( 0.000 0.000 -9.343) 9.343 3.927 ( 0.000 0.000 2.505) 2.505 3.979 ( 0.000 0.000 1.741) 1.741 4.012 ( 0.000 0.000 -8.355) 8.355 4.018 ( 0.000 0.000 -2.091) 2.091 4.338 ( 0.000 0.000 5.321) 5.321 4.394 ( 0.000 0.000 0.743) 0.743 4.401 ( 0.000 0.000 0.041) 0.041 4.418 ( 0.000 0.000 -2.976) 2.976 4.437 ( 0.000 0.000 4.378) 4.378 4.531 ( 0.000 0.000 -4.479) 4.479 4.567 ( 0.000 0.000 0.518) 0.518 4.573 ( 0.000 0.000 0.037) 0.037 4.723 ( 0.000 0.000 0.164) 0.164 4.724 ( 0.000 0.000 -0.010) 0.010 4.812 ( 0.000 0.000 1.783) 1.783 4.850 ( 0.000 0.000 -1.744) 1.744 5.044 ( 0.000 0.000 0.679) 0.679 5.058 ( 0.000 0.000 -0.627) 0.627 5.149 ( 0.000 0.000 1.063) 1.063 5.174 ( 0.000 0.000 -1.311) 1.311 5.293 ( 0.000 0.000 1.022) 1.022 5.325 ( 0.000 0.000 -2.186) 2.186 5.408 ( 0.000 0.000 1.269) 1.269 5.435 ( 0.000 0.000 -1.259) 1.259 5.488 ( 0.000 0.000 2.303) 2.303 5.525 ( 0.000 0.000 -1.384) 1.384 5.560 ( 0.000 0.000 2.499) 2.499 5.608 ( 0.000 0.000 -2.081) 2.081 6.764 ( 0.000 0.000 1.448) 1.448 6.798 ( 0.000 0.000 -1.839) 1.839 6.809 ( 0.000 0.000 1.998) 1.998 6.860 ( 0.000 0.000 -2.917) 2.917 6.860 ( 0.000 0.000 1.539) 1.539 6.889 ( 0.000 0.000 -1.308) 1.308 7.017 ( 0.000 0.000 1.104) 1.104 7.039 ( 0.000 0.000 -1.050) 1.050 7.045 ( 0.000 0.000 2.801) 2.801 7.094 ( 0.000 0.000 -2.049) 2.049 7.205 ( 0.000 0.000 1.392) 1.392 7.235 ( 0.000 0.000 -1.418) 1.418 7.384 ( 0.000 0.000 0.942) 0.942 7.404 ( 0.000 0.000 -0.887) 0.887 7.470 ( 0.000 0.000 3.161) 3.161 7.536 ( 0.000 0.000 -2.917) 2.917 7.624 ( 0.000 0.000 2.881) 2.881 7.687 ( 0.000 0.000 -2.473) 2.473 7.692 ( 0.000 0.000 0.571) 0.571 7.724 ( 0.000 0.000 -3.784) 3.784 7.757 ( 0.000 0.000 1.370) 1.370 7.777 ( 0.000 0.000 -0.309) 0.309 7.842 ( 0.000 0.000 -0.206) 0.206 7.856 ( 0.000 0.000 -1.939) 1.939 7.924 ( 0.000 0.000 2.671) 2.671 7.936 ( 0.000 0.000 4.061) 4.061 7.980 ( 0.000 0.000 -2.647) 2.647 7.992 ( 0.000 0.000 -1.821) 1.821 8.021 ( 0.000 0.000 2.262) 2.262 8.051 ( 0.000 0.000 3.851) 3.851 8.063 ( 0.000 0.000 -1.760) 1.760 8.120 ( 0.000 0.000 -2.792) 2.792 8.424 ( 0.000 0.000 -0.036) 0.036 8.440 ( 0.000 0.000 -1.228) 1.228 8.445 ( 0.000 0.000 1.562) 1.562 8.487 ( 0.000 0.000 -2.650) 2.650 8.534 ( 0.000 0.000 3.208) 3.208 8.587 ( 0.000 0.000 -2.039) 2.039 8.655 ( 0.000 0.000 3.432) 3.432 8.708 ( 0.000 0.000 -1.429) 1.429 8.738 ( 0.000 0.000 0.761) 0.761 8.742 ( 0.000 0.000 0.614) 0.614 8.753 ( 0.000 0.000 -0.358) 0.358 8.765 ( 0.000 0.000 -1.365) 1.365 8.832 ( 0.000 0.000 1.667) 1.667 8.858 ( 0.000 0.000 -0.868) 0.868 8.864 ( 0.000 0.000 -0.880) 0.880 8.865 ( 0.000 0.000 -0.674) 0.674 8.955 ( 0.000 0.000 0.261) 0.261 8.960 ( 0.000 0.000 -0.219) 0.219 9.021 ( 0.000 0.000 1.998) 1.998 9.063 ( 0.000 0.000 -2.152) 2.152 9.276 ( 0.000 0.000 1.339) 1.339 9.308 ( 0.000 0.000 -1.752) 1.752 9.430 ( 0.000 0.000 0.793) 0.793 9.438 ( 0.000 0.000 0.083) 0.083 9.772 ( 0.000 0.000 3.286) 3.286 9.807 ( 0.000 0.000 0.729) 0.729 9.827 ( 0.000 0.000 -0.016) 0.016 9.832 ( 0.000 0.000 -0.569) 0.569 9.843 ( 0.000 0.000 -1.040) 1.040 9.868 ( 0.000 0.000 -4.258) 4.258 9.961 ( 0.000 0.000 2.012) 2.012 9.987 ( 0.000 0.000 -0.593) 0.593 10.265 ( 0.000 0.000 -0.009) 0.009 10.271 ( 0.000 0.000 -0.636) 0.636 10.700 ( 0.000 0.000 4.436) 4.436 10.768 ( 0.000 0.000 -1.968) 1.968 10.776 ( 0.000 0.000 0.644) 0.644 10.790 ( 0.000 0.000 -0.674) 0.674 10.925 ( 0.000 0.000 1.429) 1.429 10.975 ( 0.000 0.000 -3.306) 3.306 11.043 ( 0.000 0.000 2.537) 2.537 11.063 ( 0.000 0.000 1.248) 1.248 11.088 ( 0.000 0.000 -1.195) 1.195 11.103 ( 0.000 0.000 -3.318) 3.318 11.301 ( 0.000 0.000 0.728) 0.728 11.304 ( 0.000 0.000 2.479) 2.479 11.314 ( 0.000 0.000 -0.503) 0.503 11.344 ( 0.000 0.000 -1.484) 1.484 11.672 ( 0.000 0.000 0.641) 0.641 11.687 ( 0.000 0.000 -0.804) 0.804 11.785 ( 0.000 0.000 1.467) 1.467 11.805 ( 0.000 0.000 0.250) 0.250 11.814 ( 0.000 0.000 -1.111) 1.111 11.814 ( 0.000 0.000 -0.790) 0.790 11.870 ( 0.000 0.000 0.227) 0.227 11.874 ( 0.000 0.000 -0.140) 0.140 11.883 ( 0.000 0.000 0.116) 0.116 11.883 ( 0.000 0.000 0.031) 0.031 12.018 ( 0.000 0.000 1.183) 1.183 12.041 ( 0.000 0.000 -0.991) 0.991 ======================= Grid point 46 (17/30) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 16.736 0.000 15.524) 22.827 0.720 ( 14.094 0.000 17.576) 22.529 0.946 ( 11.872 0.000 -5.745) 13.189 1.040 ( 10.868 0.000 -17.157) 20.309 1.236 ( 21.290 0.000 11.131) 24.024 1.430 ( 1.719 0.000 -2.443) 2.988 1.446 ( 0.650 0.000 5.405) 5.444 1.500 ( 1.525 0.000 -5.424) 5.635 1.586 ( 14.080 0.000 3.579) 14.528 1.622 ( 6.801 0.000 9.308) 11.528 1.675 ( 2.039 0.000 -1.390) 2.468 1.740 ( 3.003 0.000 5.812) 6.542 1.753 ( 4.135 0.000 -0.978) 4.249 1.788 ( 12.606 0.000 -1.899) 12.748 1.854 ( 5.311 0.000 2.919) 6.060 1.900 ( 4.308 0.000 -2.758) 5.115 1.936 ( 4.566 0.000 -3.739) 5.902 1.943 ( 0.788 0.000 2.120) 2.262 1.958 ( 0.599 0.000 1.171) 1.316 1.983 ( 1.276 0.000 0.375) 1.330 2.003 ( 2.465 0.000 -6.737) 7.174 2.046 ( -0.566 0.000 -6.151) 6.177 2.101 ( 0.590 0.000 1.498) 1.610 2.144 ( -1.833 0.000 1.634) 2.455 2.149 ( 0.585 0.000 1.471) 1.583 2.168 ( 2.941 0.000 -0.427) 2.972 2.182 ( 3.822 0.000 -5.409) 6.623 2.203 ( 0.491 0.000 -6.041) 6.061 2.225 ( -2.025 0.000 -0.943) 2.234 2.256 ( 2.468 0.000 -4.089) 4.776 2.292 ( 1.254 0.000 1.438) 1.908 2.307 ( -0.231 0.000 0.067) 0.241 2.352 ( 2.848 0.000 1.582) 3.257 2.356 ( 1.091 0.000 1.482) 1.840 2.392 ( 1.244 0.000 -0.073) 1.246 2.408 ( 0.508 0.000 -0.039) 0.510 2.421 ( 2.377 0.000 -1.097) 2.618 2.429 ( 0.420 0.000 1.555) 1.611 2.445 ( 1.759 0.000 -1.105) 2.077 2.445 ( 1.923 0.000 -0.713) 2.051 2.489 ( 1.154 0.000 1.450) 1.853 2.497 ( -3.690 0.000 1.345) 3.928 2.544 ( 0.590 0.000 -1.801) 1.895 2.549 ( -2.088 0.000 0.589) 2.170 2.553 ( 1.051 0.000 -0.549) 1.186 2.567 ( -0.997 0.000 0.448) 1.093 2.606 ( -0.616 0.000 1.947) 2.042 2.610 ( 4.741 0.000 0.133) 4.743 2.638 ( 0.675 0.000 1.471) 1.618 2.666 ( 0.142 0.000 -0.861) 0.873 2.695 ( 1.266 0.000 -0.140) 1.273 2.710 ( 0.327 0.000 -0.923) 0.979 2.717 ( 0.580 0.000 -0.860) 1.037 2.741 ( -0.728 0.000 -3.013) 3.100 2.809 ( 6.086 0.000 1.260) 6.215 2.815 ( 2.720 0.000 0.825) 2.843 2.853 ( -0.195 0.000 -0.417) 0.460 2.862 ( 0.060 0.000 -1.473) 1.474 2.883 ( 2.293 0.000 2.048) 3.074 2.908 ( -3.858 0.000 2.143) 4.414 2.949 ( -0.395 0.000 -2.981) 3.008 2.951 ( -5.164 0.000 -1.236) 5.310 2.964 ( -1.759 0.000 -0.146) 1.765 2.983 ( -5.227 0.000 -2.437) 5.767 3.045 ( -1.273 0.000 1.340) 1.848 3.073 ( -0.157 0.000 -1.303) 1.312 3.089 ( -4.425 0.000 1.981) 4.848 3.107 ( -5.399 0.000 2.309) 5.872 3.119 ( -4.480 0.000 -0.799) 4.550 3.149 ( -4.692 0.000 -1.845) 5.041 3.255 ( -1.451 0.000 0.841) 1.677 3.265 ( -1.957 0.000 -0.302) 1.981 3.293 ( 0.500 0.000 1.099) 1.208 3.333 ( -2.930 0.000 -2.115) 3.614 3.405 ( -1.886 0.000 0.219) 1.898 3.415 ( -2.300 0.000 -0.944) 2.486 3.441 ( -3.162 0.000 0.304) 3.176 3.462 ( -4.568 0.000 -0.688) 4.619 3.473 ( 3.898 0.000 2.311) 4.532 3.527 ( 6.191 0.000 -2.591) 6.712 3.673 ( 6.128 0.000 16.578) 17.674 3.723 ( 5.045 0.000 7.611) 9.131 3.840 ( 3.342 0.000 -4.755) 5.812 3.938 ( 3.410 0.000 -6.145) 7.028 3.951 ( 1.881 0.000 2.504) 3.132 4.020 ( 3.720 0.000 1.269) 3.931 4.043 ( 2.770 0.000 -6.014) 6.621 4.060 ( 3.870 0.000 -5.947) 7.095 4.336 ( 0.773 0.000 3.542) 3.625 4.383 ( 0.177 0.000 -1.431) 1.442 4.439 ( 2.744 0.000 2.585) 3.770 4.465 ( 3.367 0.000 2.011) 3.922 4.487 ( 3.757 0.000 1.164) 3.933 4.568 ( 3.513 0.000 -4.116) 5.411 4.610 ( 3.934 0.000 0.547) 3.971 4.621 ( 4.665 0.000 -0.519) 4.694 4.759 ( 3.272 0.000 0.845) 3.379 4.775 ( 5.073 0.000 -0.489) 5.097 4.854 ( 3.209 0.000 0.151) 3.212 4.864 ( 0.950 0.000 -0.712) 1.187 5.046 ( 0.460 0.000 2.052) 2.103 5.083 ( 2.261 0.000 -1.347) 2.631 5.149 ( -0.126 0.000 0.400) 0.419 5.162 ( -1.096 0.000 -0.899) 1.417 5.288 ( -0.767 0.000 1.200) 1.424 5.325 ( -0.811 0.000 -2.481) 2.610 5.390 ( -2.118 0.000 1.396) 2.537 5.415 ( -2.987 0.000 -0.531) 3.034 5.445 ( -2.111 0.000 1.300) 2.479 5.472 ( -4.198 0.000 -1.019) 4.320 5.521 ( -3.824 0.000 2.064) 4.345 5.562 ( -4.588 0.000 -1.833) 4.941 6.650 ( -8.296 0.000 1.459) 8.423 6.683 ( -8.216 0.000 -1.781) 8.407 6.805 ( -2.164 0.000 2.171) 3.065 6.848 ( -0.539 0.000 -0.448) 0.701 6.876 ( -0.558 0.000 -1.410) 1.516 6.894 ( 0.508 0.000 -1.396) 1.486 7.020 ( 0.288 0.000 1.182) 1.217 7.030 ( -0.681 0.000 2.565) 2.653 7.052 ( 0.819 0.000 0.138) 0.830 7.092 ( -0.278 0.000 -1.945) 1.964 7.233 ( 2.498 0.000 1.210) 2.776 7.259 ( 1.950 0.000 -1.273) 2.329 7.379 ( -0.161 0.000 0.705) 0.723 7.395 ( -0.535 0.000 -0.795) 0.958 7.494 ( 2.113 0.000 3.016) 3.683 7.553 ( 1.303 0.000 -2.386) 2.719 7.609 ( -0.692 0.000 3.056) 3.133 7.672 ( -0.862 0.000 -2.830) 2.958 7.683 ( -0.882 0.000 0.820) 1.204 7.716 ( -0.473 0.000 -3.170) 3.205 7.749 ( 0.342 0.000 3.677) 3.692 7.788 ( 0.626 0.000 0.324) 0.705 7.835 ( 0.199 0.000 -0.972) 0.992 7.842 ( -0.281 0.000 -2.495) 2.511 7.913 ( -1.219 0.000 2.837) 3.087 7.963 ( -1.703 0.000 -2.274) 2.841 7.966 ( 2.632 0.000 2.924) 3.934 8.014 ( 1.764 0.000 -1.543) 2.343 8.049 ( 1.537 0.000 2.348) 2.806 8.090 ( 4.022 0.000 3.004) 5.020 8.105 ( 0.470 0.000 -2.963) 3.000 8.141 ( 3.624 0.000 -2.131) 4.204 8.435 ( 1.243 0.000 -0.159) 1.253 8.443 ( 0.059 0.000 -0.074) 0.094 8.449 ( 0.801 0.000 0.390) 0.891 8.477 ( -0.300 0.000 -1.562) 1.591 8.564 ( 1.806 0.000 1.158) 2.145 8.586 ( -0.378 0.000 -0.832) 0.914 8.624 ( -2.539 0.000 2.640) 3.663 8.656 ( -3.147 0.000 -0.544) 3.194 8.713 ( -2.543 0.000 0.240) 2.554 8.724 ( -2.521 0.000 -0.799) 2.644 8.750 ( -1.534 0.000 0.747) 1.706 8.776 ( 0.763 0.000 -1.506) 1.689 8.846 ( -0.187 0.000 0.907) 0.926 8.870 ( 0.424 0.000 -0.874) 0.971 8.878 ( 0.574 0.000 0.042) 0.575 8.886 ( 2.636 0.000 -1.540) 3.052 8.944 ( -0.873 0.000 0.474) 0.994 8.955 ( -0.068 0.000 -0.550) 0.554 9.036 ( -0.131 0.000 1.272) 1.279 9.042 ( 2.108 0.000 0.097) 2.110 9.285 ( 0.584 0.000 0.329) 0.671 9.306 ( -0.135 0.000 -1.357) 1.363 9.444 ( 0.431 0.000 0.814) 0.921 9.459 ( 2.001 0.000 -0.639) 2.101 9.774 ( 0.150 0.000 3.242) 3.245 9.803 ( -0.335 0.000 0.699) 0.776 9.820 ( -1.379 0.000 -0.683) 1.539 9.844 ( 1.334 0.000 -0.813) 1.562 9.851 ( -0.411 0.000 -2.238) 2.275 9.853 ( 1.309 0.000 -0.437) 1.380 9.956 ( -0.646 0.000 1.708) 1.826 9.988 ( -1.110 0.000 -1.639) 1.980 10.276 ( 0.975 0.000 -0.114) 0.981 10.278 ( 0.581 0.000 -0.297) 0.652 10.683 ( -1.155 0.000 3.866) 4.035 10.747 ( -1.167 0.000 -2.211) 2.500 10.774 ( -0.256 0.000 0.910) 0.945 10.792 ( -0.334 0.000 -0.717) 0.791 10.864 ( -2.987 0.000 4.605) 5.489 10.950 ( -1.823 0.000 -4.263) 4.636 11.042 ( -0.239 0.000 2.440) 2.452 11.058 ( -0.435 0.000 1.451) 1.515 11.086 ( -0.169 0.000 -1.374) 1.384 11.100 ( -0.528 0.000 -3.138) 3.182 11.272 ( -1.626 0.000 1.704) 2.355 11.297 ( -1.255 0.000 -0.893) 1.540 11.325 ( 0.822 0.000 1.639) 1.833 11.355 ( 0.644 0.000 -1.189) 1.352 11.665 ( -0.647 0.000 0.324) 0.724 11.674 ( -1.139 0.000 -0.572) 1.274 11.767 ( -0.861 0.000 0.742) 1.137 11.781 ( -0.846 0.000 -0.436) 0.951 11.822 ( -0.530 0.000 0.898) 1.042 11.822 ( -1.733 0.000 1.140) 2.075 11.853 ( 0.803 0.000 -0.405) 0.899 11.858 ( 0.117 0.000 -0.631) 0.642 11.876 ( -0.426 0.000 0.093) 0.436 11.878 ( 0.673 0.000 -0.073) 0.677 12.082 ( 2.644 0.000 1.070) 2.852 12.134 ( 3.623 0.000 -4.830) 6.037 ======================= Grid point 47 (18/30) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 10.256 0.000 16.134) 19.118 1.063 ( 18.139 0.000 7.348) 19.571 1.166 ( 9.124 0.000 1.133) 9.194 1.293 ( 13.024 0.000 -11.690) 17.500 1.354 ( -1.889 0.000 3.657) 4.116 1.460 ( -0.925 0.000 -8.671) 8.721 1.525 ( 3.402 0.000 -0.124) 3.404 1.536 ( 6.531 0.000 -2.836) 7.120 1.755 ( 6.929 0.000 0.140) 6.931 1.762 ( 4.796 0.000 -2.718) 5.513 1.791 ( 3.571 0.000 5.831) 6.837 1.837 ( 3.305 0.000 0.471) 3.339 1.913 ( -0.535 0.000 -0.944) 1.085 1.923 ( 2.650 0.000 -1.865) 3.241 1.962 ( 1.954 0.000 0.930) 2.164 1.983 ( 4.928 0.000 3.281) 5.921 2.001 ( 2.035 0.000 -0.244) 2.050 2.017 ( 2.393 0.000 0.891) 2.554 2.023 ( 4.531 0.000 -0.400) 4.548 2.047 ( 0.780 0.000 -1.203) 1.434 2.075 ( 2.978 0.000 -0.902) 3.112 2.098 ( -1.760 0.000 -0.465) 1.820 2.129 ( 1.018 0.000 -0.033) 1.018 2.148 ( 0.903 0.000 -0.634) 1.103 2.158 ( 8.393 0.000 -1.459) 8.519 2.211 ( -0.356 0.000 -2.592) 2.616 2.221 ( 1.236 0.000 2.497) 2.786 2.229 ( 1.554 0.000 0.457) 1.620 2.240 ( 4.815 0.000 1.868) 5.165 2.279 ( -1.228 0.000 -1.748) 2.136 2.331 ( 5.591 0.000 3.027) 6.358 2.343 ( 2.004 0.000 1.099) 2.286 2.364 ( -1.893 0.000 2.094) 2.822 2.367 ( -2.536 0.000 0.111) 2.538 2.392 ( -0.372 0.000 2.424) 2.453 2.437 ( 1.900 0.000 -1.617) 2.495 2.439 ( -0.196 0.000 -0.087) 0.214 2.461 ( 2.051 0.000 -1.201) 2.377 2.467 ( 4.021 0.000 2.746) 4.869 2.492 ( 2.153 0.000 0.272) 2.170 2.503 ( 3.127 0.000 2.089) 3.760 2.505 ( 4.637 0.000 0.648) 4.682 2.550 ( 0.048 0.000 0.581) 0.583 2.560 ( -0.030 0.000 -0.107) 0.111 2.565 ( -1.034 0.000 -2.442) 2.651 2.577 ( 2.769 0.000 -3.579) 4.525 2.625 ( 1.349 0.000 0.139) 1.356 2.641 ( 0.047 0.000 -0.365) 0.368 2.653 ( -0.480 0.000 0.263) 0.547 2.674 ( -3.508 0.000 -2.032) 4.053 2.727 ( 1.177 0.000 2.299) 2.583 2.729 ( -0.395 0.000 0.502) 0.638 2.762 ( -3.136 0.000 1.162) 3.344 2.777 ( 6.265 0.000 -0.411) 6.278 2.785 ( 0.806 0.000 0.802) 1.136 2.815 ( 5.251 0.000 -3.577) 6.353 2.860 ( -1.389 0.000 0.085) 1.391 2.869 ( -0.921 0.000 -0.554) 1.075 2.876 ( -0.088 0.000 -0.981) 0.985 2.891 ( -1.582 0.000 -1.135) 1.947 2.896 ( -0.135 0.000 0.198) 0.239 2.904 ( -1.224 0.000 -0.926) 1.535 2.963 ( 4.353 0.000 2.201) 4.878 2.996 ( 0.935 0.000 -0.439) 1.033 3.007 ( -3.265 0.000 1.330) 3.525 3.022 ( -1.087 0.000 0.910) 1.417 3.034 ( -1.020 0.000 -1.212) 1.584 3.073 ( 3.993 0.000 -4.353) 5.907 3.132 ( 2.939 0.000 0.444) 2.973 3.159 ( 4.260 0.000 -2.029) 4.718 3.203 ( -3.563 0.000 -0.645) 3.621 3.209 ( -0.680 0.000 -0.119) 0.690 3.237 ( -3.920 0.000 0.336) 3.934 3.252 ( -5.973 0.000 -1.217) 6.096 3.308 ( -2.708 0.000 1.268) 2.990 3.337 ( -4.198 0.000 -1.484) 4.453 3.345 ( -4.813 0.000 -0.027) 4.813 3.363 ( 0.028 0.000 -2.989) 2.989 3.633 ( 7.916 0.000 2.867) 8.419 3.703 ( 8.473 0.000 -3.584) 9.200 3.839 ( 9.433 0.000 9.556) 13.427 3.882 ( 9.566 0.000 9.719) 13.637 3.922 ( 3.848 0.000 -2.337) 4.502 3.992 ( 2.468 0.000 3.050) 3.923 4.020 ( 5.081 0.000 -2.526) 5.675 4.124 ( 6.098 0.000 0.824) 6.154 4.129 ( 5.373 0.000 -5.209) 7.483 4.164 ( 6.162 0.000 -6.715) 9.114 4.376 ( 2.734 0.000 2.037) 3.409 4.408 ( 1.917 0.000 -1.151) 2.236 4.488 ( 2.041 0.000 2.981) 3.613 4.536 ( 2.525 0.000 -1.779) 3.088 4.579 ( 5.315 0.000 3.718) 6.487 4.663 ( 5.062 0.000 -3.878) 6.377 4.708 ( 4.869 0.000 2.033) 5.276 4.739 ( 5.938 0.000 -0.906) 6.006 4.829 ( 2.356 0.000 2.630) 3.531 4.878 ( 0.354 0.000 0.992) 1.054 4.887 ( 3.218 0.000 -3.433) 4.705 4.919 ( 3.844 0.000 -2.878) 4.802 5.065 ( 0.446 0.000 3.712) 3.738 5.126 ( -1.195 0.000 -2.492) 2.763 5.139 ( -0.729 0.000 0.044) 0.730 5.141 ( 1.157 0.000 -0.273) 1.189 5.215 ( -8.412 0.000 0.584) 8.432 5.216 ( -6.788 0.000 0.333) 6.796 5.325 ( -3.103 0.000 2.086) 3.739 5.367 ( -3.257 0.000 -1.853) 3.747 5.399 ( -4.277 0.000 0.409) 4.296 5.408 ( -4.450 0.000 -0.105) 4.452 5.431 ( -4.693 0.000 0.203) 4.697 5.443 ( -0.143 0.000 -0.695) 0.710 6.467 ( -8.684 0.000 1.716) 8.852 6.506 ( -8.363 0.000 -1.947) 8.587 6.731 ( -4.386 0.000 2.871) 5.242 6.805 ( -3.312 0.000 -4.497) 5.585 6.878 ( 0.893 0.000 1.497) 1.743 6.912 ( 1.321 0.000 -1.727) 2.174 7.007 ( -1.484 0.000 3.150) 3.482 7.024 ( -0.014 0.000 0.957) 0.957 7.075 ( 1.355 0.000 -0.727) 1.538 7.083 ( -0.531 0.000 -1.329) 1.431 7.294 ( 3.054 0.000 0.245) 3.064 7.300 ( 1.840 0.000 -0.369) 1.876 7.378 ( -0.060 0.000 0.452) 0.456 7.387 ( -0.285 0.000 -0.432) 0.518 7.550 ( 3.034 0.000 1.861) 3.559 7.574 ( 0.459 0.000 -0.334) 0.567 7.603 ( 0.130 0.000 2.398) 2.402 7.665 ( 0.114 0.000 -3.694) 3.696 7.666 ( -0.341 0.000 1.847) 1.879 7.716 ( 0.709 0.000 -2.988) 3.071 7.770 ( 1.094 0.000 2.522) 2.749 7.797 ( 0.265 0.000 0.575) 0.633 7.855 ( 1.729 0.000 -0.828) 1.918 7.861 ( 1.946 0.000 -2.020) 2.805 7.883 ( -1.373 0.000 1.811) 2.273 7.918 ( -2.443 0.000 -1.641) 2.943 8.026 ( 2.806 0.000 1.890) 3.383 8.052 ( 1.729 0.000 -0.661) 1.851 8.085 ( 1.837 0.000 0.571) 1.924 8.103 ( -0.183 0.000 -0.999) 1.016 8.183 ( 4.438 0.000 2.482) 5.084 8.227 ( 4.076 0.000 -1.887) 4.492 8.445 ( 0.402 0.000 1.004) 1.081 8.464 ( 1.202 0.000 -0.778) 1.432 8.477 ( 1.511 0.000 0.032) 1.511 8.489 ( 1.002 0.000 -1.312) 1.651 8.559 ( -2.135 0.000 0.288) 2.154 8.572 ( -1.794 0.000 1.327) 2.231 8.580 ( -0.468 0.000 -0.656) 0.806 8.603 ( -1.711 0.000 -0.438) 1.766 8.651 ( -2.324 0.000 0.826) 2.466 8.660 ( -3.170 0.000 -0.402) 3.195 8.710 ( -2.555 0.000 1.335) 2.883 8.747 ( -3.126 0.000 -2.252) 3.853 8.859 ( 1.004 0.000 1.111) 1.497 8.878 ( 0.296 0.000 -0.742) 0.799 8.879 ( -0.364 0.000 1.347) 1.395 8.905 ( -0.128 0.000 -1.150) 1.157 8.932 ( -0.149 0.000 1.663) 1.670 8.968 ( 1.210 0.000 -1.645) 2.042 9.069 ( 2.365 0.000 1.389) 2.743 9.100 ( 3.084 0.000 -1.606) 3.478 9.305 ( 1.446 0.000 -0.111) 1.450 9.308 ( 0.447 0.000 -0.311) 0.545 9.444 ( -0.638 0.000 1.786) 1.897 9.481 ( -0.313 0.000 -1.693) 1.721 9.774 ( -0.532 0.000 2.515) 2.571 9.788 ( -1.217 0.000 1.420) 1.870 9.798 ( -0.127 0.000 -0.436) 0.455 9.849 ( 0.127 0.000 -3.511) 3.513 9.880 ( 1.717 0.000 -0.015) 1.717 9.886 ( 1.549 0.000 -0.515) 1.632 9.934 ( -1.231 0.000 0.818) 1.478 9.948 ( -2.148 0.000 -0.517) 2.209 10.295 ( 1.019 0.000 0.285) 1.058 10.301 ( 1.391 0.000 -0.340) 1.432 10.667 ( -0.250 0.000 3.760) 3.768 10.736 ( 0.279 0.000 -2.711) 2.725 10.764 ( -0.636 0.000 0.645) 0.906 10.775 ( -1.076 0.000 -0.526) 1.198 10.816 ( -1.965 0.000 4.203) 4.640 10.912 ( -1.886 0.000 -5.018) 5.361 11.031 ( -0.766 0.000 2.145) 2.278 11.046 ( -0.748 0.000 1.830) 1.977 11.080 ( -0.524 0.000 -1.792) 1.867 11.082 ( -1.159 0.000 -2.490) 2.746 11.239 ( -1.488 0.000 1.889) 2.405 11.269 ( -1.353 0.000 -1.149) 1.775 11.336 ( 0.291 0.000 1.515) 1.543 11.364 ( 0.211 0.000 -1.099) 1.119 11.644 ( -1.643 0.000 -0.164) 1.651 11.644 ( -1.295 0.000 -0.135) 1.302 11.751 ( -0.775 0.000 0.909) 1.195 11.769 ( -0.466 0.000 -0.721) 0.859 11.788 ( -1.728 0.000 0.893) 1.945 11.804 ( -0.262 0.000 -0.758) 0.802 11.851 ( -0.263 0.000 0.716) 0.763 11.863 ( -0.125 0.000 -0.467) 0.483 11.889 ( 1.311 0.000 0.742) 1.506 11.905 ( 1.255 0.000 -0.763) 1.469 12.120 ( 0.963 0.000 1.381) 1.684 12.158 ( -0.289 0.000 -2.286) 2.305 ======================= Grid point 48 (19/30) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 6.005 0.000 10.886) 12.433 1.290 ( 4.536 0.000 -2.295) 5.084 1.307 ( -2.098 0.000 5.314) 5.713 1.409 ( 0.699 0.000 -4.095) 4.155 1.442 ( 12.826 0.000 3.198) 13.219 1.552 ( 11.435 0.000 -6.440) 13.123 1.616 ( 4.252 0.000 0.701) 4.309 1.666 ( 5.872 0.000 -3.877) 7.037 1.824 ( 1.430 0.000 -0.217) 1.446 1.841 ( 1.632 0.000 1.056) 1.944 1.873 ( 3.018 0.000 1.849) 3.540 1.879 ( 0.408 0.000 1.499) 1.553 1.906 ( -0.888 0.000 -0.469) 1.004 1.942 ( 0.761 0.000 -4.130) 4.200 1.977 ( -0.966 0.000 -0.887) 1.312 1.988 ( -1.344 0.000 -1.252) 1.837 2.038 ( -1.167 0.000 1.153) 1.640 2.043 ( -1.238 0.000 1.534) 1.972 2.055 ( -0.017 0.000 1.157) 1.157 2.076 ( -2.323 0.000 1.777) 2.925 2.095 ( 1.631 0.000 1.016) 1.921 2.097 ( 3.514 0.000 1.634) 3.876 2.125 ( -0.654 0.000 -2.377) 2.465 2.136 ( -1.571 0.000 -3.180) 3.547 2.197 ( 0.315 0.000 0.682) 0.751 2.221 ( -0.016 0.000 1.722) 1.722 2.246 ( -5.207 0.000 -0.626) 5.245 2.256 ( 0.571 0.000 0.790) 0.975 2.264 ( 0.810 0.000 -0.772) 1.119 2.266 ( -0.049 0.000 -0.730) 0.731 2.285 ( 2.245 0.000 -1.069) 2.486 2.306 ( -0.167 0.000 -4.266) 4.269 2.389 ( 0.354 0.000 1.576) 1.615 2.389 ( 2.980 0.000 0.704) 3.062 2.398 ( 0.433 0.000 2.570) 2.606 2.438 ( -1.901 0.000 -1.444) 2.387 2.446 ( 0.095 0.000 -0.609) 0.616 2.457 ( 0.020 0.000 -2.141) 2.141 2.481 ( -1.048 0.000 2.434) 2.650 2.516 ( 0.972 0.000 1.898) 2.132 2.535 ( 0.062 0.000 -0.014) 0.063 2.551 ( -0.121 0.000 -2.351) 2.354 2.574 ( 0.689 0.000 0.390) 0.792 2.588 ( 3.073 0.000 2.635) 4.048 2.607 ( -0.517 0.000 -1.214) 1.319 2.620 ( -0.104 0.000 1.652) 1.655 2.646 ( 0.038 0.000 0.155) 0.159 2.647 ( 0.008 0.000 -1.101) 1.101 2.663 ( 2.391 0.000 1.447) 2.794 2.700 ( 2.805 0.000 -2.388) 3.684 2.713 ( 2.686 0.000 1.029) 2.876 2.727 ( -0.435 0.000 1.084) 1.168 2.747 ( -1.724 0.000 2.226) 2.815 2.769 ( -1.831 0.000 0.600) 1.927 2.790 ( -0.490 0.000 -0.570) 0.751 2.807 ( 0.997 0.000 -2.579) 2.765 2.829 ( -4.077 0.000 -0.299) 4.088 2.836 ( -1.470 0.000 -1.332) 1.983 2.897 ( 0.562 0.000 2.116) 2.189 2.899 ( 1.320 0.000 1.669) 2.129 2.918 ( 1.252 0.000 -0.368) 1.305 2.941 ( -0.561 0.000 -1.953) 2.032 2.948 ( -1.477 0.000 0.538) 1.571 2.958 ( -2.138 0.000 -0.108) 2.141 3.040 ( -3.048 0.000 1.253) 3.296 3.063 ( 0.735 0.000 -1.312) 1.504 3.080 ( -1.736 0.000 -0.139) 1.742 3.086 ( -1.048 0.000 -0.620) 1.218 3.109 ( -2.764 0.000 0.102) 2.766 3.123 ( -1.979 0.000 -1.205) 2.317 3.127 ( -2.655 0.000 2.527) 3.665 3.179 ( 1.686 0.000 0.613) 1.794 3.193 ( -1.863 0.000 0.243) 1.878 3.257 ( -0.734 0.000 -3.126) 3.211 3.357 ( 4.891 0.000 0.443) 4.911 3.360 ( 4.860 0.000 0.336) 4.872 3.437 ( 16.147 0.000 4.340) 16.721 3.581 ( 18.013 0.000 -10.333) 20.766 3.760 ( 4.325 0.000 3.403) 5.503 3.842 ( 4.846 0.000 -4.456) 6.583 3.971 ( 2.018 0.000 0.002) 2.018 3.972 ( 1.272 0.000 -0.101) 1.276 4.093 ( 10.450 0.000 10.762) 15.001 4.128 ( 11.111 0.000 3.904) 11.777 4.186 ( 10.581 0.000 -2.248) 10.817 4.243 ( 5.208 0.000 -3.137) 6.080 4.250 ( 5.419 0.000 1.101) 5.530 4.307 ( 7.287 0.000 -5.595) 9.187 4.431 ( 2.198 0.000 1.081) 2.450 4.448 ( 1.713 0.000 -0.614) 1.820 4.521 ( 0.966 0.000 1.948) 2.174 4.561 ( -0.453 0.000 -2.239) 2.285 4.677 ( 3.564 0.000 3.514) 5.005 4.752 ( 3.049 0.000 -3.620) 4.733 4.765 ( -2.163 0.000 4.040) 4.582 4.837 ( -0.059 0.000 2.149) 2.150 4.837 ( 0.045 0.000 -2.292) 2.292 4.850 ( -4.476 0.000 -1.032) 4.594 4.867 ( -1.759 0.000 1.471) 2.293 4.954 ( -2.356 0.000 -5.814) 6.273 4.976 ( -8.117 0.000 2.364) 8.454 5.023 ( -2.366 0.000 -2.361) 3.343 5.135 ( -2.075 0.000 2.358) 3.141 5.138 ( 0.164 0.000 2.502) 2.508 5.156 ( 1.380 0.000 -0.448) 1.451 5.175 ( -6.283 0.000 0.439) 6.298 5.181 ( 0.098 0.000 -1.562) 1.566 5.194 ( -7.986 0.000 -1.112) 8.063 5.342 ( -0.554 0.000 2.446) 2.508 5.389 ( 0.147 0.000 -2.076) 2.081 5.414 ( 0.030 0.000 2.200) 2.200 5.457 ( 0.847 0.000 -1.875) 2.057 6.316 ( -5.463 0.000 2.027) 5.827 6.361 ( -5.218 0.000 -2.210) 5.667 6.647 ( -3.240 0.000 3.508) 4.775 6.736 ( -2.873 0.000 -5.229) 5.966 6.905 ( 1.567 0.000 1.991) 2.534 6.946 ( 1.820 0.000 -2.075) 2.760 6.974 ( -1.598 0.000 2.996) 3.396 7.014 ( -1.061 0.000 -0.763) 1.307 7.077 ( -0.001 0.000 0.883) 0.883 7.102 ( 1.091 0.000 -1.338) 1.726 7.330 ( 1.026 0.000 0.660) 1.220 7.346 ( 1.752 0.000 -0.842) 1.944 7.376 ( -0.065 0.000 0.390) 0.396 7.382 ( -0.201 0.000 -0.275) 0.341 7.574 ( -0.220 0.000 1.253) 1.272 7.598 ( 1.245 0.000 -1.057) 1.633 7.614 ( 0.761 0.000 2.170) 2.300 7.668 ( 0.078 0.000 -2.991) 2.992 7.680 ( 1.643 0.000 3.400) 3.776 7.746 ( 1.730 0.000 -2.910) 3.385 7.786 ( 0.616 0.000 1.331) 1.467 7.804 ( 0.537 0.000 0.015) 0.537 7.859 ( -1.066 0.000 0.105) 1.071 7.866 ( -2.361 0.000 -0.513) 2.416 7.897 ( 1.810 0.000 -0.050) 1.810 7.906 ( 1.950 0.000 -1.102) 2.240 8.074 ( 1.726 0.000 0.655) 1.846 8.079 ( 0.840 0.000 0.108) 0.847 8.100 ( -0.111 0.000 0.619) 0.629 8.116 ( 0.978 0.000 -0.985) 1.388 8.259 ( 2.755 0.000 2.134) 3.484 8.297 ( 2.581 0.000 -1.647) 3.061 8.464 ( 1.389 0.000 1.326) 1.921 8.468 ( -1.089 0.000 0.437) 1.174 8.493 ( -0.177 0.000 -0.404) 0.441 8.499 ( 0.526 0.000 0.038) 0.527 8.521 ( -1.023 0.000 -0.414) 1.104 8.536 ( -1.565 0.000 -2.024) 2.558 8.582 ( -0.764 0.000 0.477) 0.900 8.591 ( 1.116 0.000 -0.822) 1.386 8.612 ( -1.083 0.000 1.216) 1.628 8.635 ( 0.227 0.000 -0.738) 0.772 8.655 ( -1.976 0.000 0.848) 2.150 8.670 ( -3.763 0.000 -0.643) 3.817 8.869 ( -0.405 0.000 1.334) 1.395 8.876 ( 0.334 0.000 0.459) 0.568 8.881 ( -0.043 0.000 -0.366) 0.368 8.897 ( -0.501 0.000 -1.032) 1.148 8.933 ( 0.147 0.000 2.890) 2.894 8.993 ( 1.005 0.000 -2.745) 2.924 9.109 ( 1.344 0.000 1.750) 2.207 9.154 ( 1.876 0.000 -2.509) 3.133 9.328 ( 1.497 0.000 0.758) 1.678 9.342 ( 2.082 0.000 -0.633) 2.176 9.415 ( -2.065 0.000 1.778) 2.725 9.448 ( -2.553 0.000 -1.337) 2.882 9.750 ( -1.060 0.000 2.645) 2.850 9.776 ( -0.458 0.000 2.702) 2.741 9.799 ( 0.277 0.000 -1.774) 1.796 9.842 ( -0.922 0.000 -3.716) 3.829 9.893 ( -0.723 0.000 -0.324) 0.792 9.898 ( -0.010 0.000 -1.087) 1.087 9.931 ( 0.612 0.000 0.576) 0.840 9.932 ( 0.907 0.000 0.279) 0.949 10.315 ( 0.853 0.000 0.599) 1.042 10.328 ( 1.071 0.000 -0.595) 1.225 10.673 ( 0.754 0.000 5.045) 5.101 10.740 ( -0.587 0.000 -0.231) 0.631 10.752 ( -0.503 0.000 0.069) 0.508 10.773 ( 1.577 0.000 -3.091) 3.470 10.778 ( -1.644 0.000 3.495) 3.862 10.870 ( -2.177 0.000 -5.331) 5.758 11.016 ( -0.603 0.000 2.031) 2.118 11.029 ( -0.822 0.000 1.809) 1.987 11.058 ( -0.997 0.000 -1.556) 1.849 11.067 ( -0.618 0.000 -2.480) 2.556 11.214 ( -0.874 0.000 1.972) 2.157 11.246 ( -0.857 0.000 -1.207) 1.480 11.339 ( 0.045 0.000 1.349) 1.350 11.365 ( -0.020 0.000 -1.104) 1.104 11.613 ( -1.205 0.000 0.099) 1.209 11.618 ( -1.071 0.000 -0.321) 1.118 11.736 ( -0.634 0.000 1.123) 1.290 11.760 ( -0.399 0.000 -1.128) 1.197 11.762 ( -0.791 0.000 1.962) 2.116 11.801 ( -0.142 0.000 -1.856) 1.862 11.854 ( 0.487 0.000 0.687) 0.842 11.864 ( 0.166 0.000 -0.322) 0.362 11.910 ( 0.637 0.000 0.596) 0.873 11.922 ( 0.417 0.000 -0.594) 0.725 12.128 ( 0.033 0.000 0.773) 0.773 12.146 ( -0.586 0.000 -0.923) 1.093 ======================= Grid point 49 (20/30) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 0.000 8.279) 8.279 1.282 ( 0.000 0.000 5.300) 5.300 1.342 ( 0.000 0.000 -4.823) 4.823 1.377 ( 0.000 0.000 -3.343) 3.343 1.652 ( 0.000 0.000 0.230) 0.230 1.687 ( 0.000 0.000 -2.585) 2.585 1.724 ( -0.000 0.000 3.184) 3.184 1.768 ( 0.000 0.000 1.465) 1.465 1.789 ( 0.000 0.000 -1.843) 1.843 1.814 ( -0.000 0.000 -3.215) 3.215 1.850 ( 0.000 0.000 3.716) 3.716 1.890 ( 0.000 0.000 0.512) 0.512 1.893 ( 0.000 0.000 -0.679) 0.679 1.943 ( 0.000 0.000 -1.911) 1.911 1.960 ( 0.000 0.000 -0.578) 0.578 1.977 ( 0.000 0.000 -0.555) 0.555 2.015 ( 0.000 0.000 1.566) 1.566 2.037 ( 0.000 0.000 3.425) 3.425 2.038 ( 0.000 0.000 2.803) 2.803 2.053 ( 0.000 0.000 -2.213) 2.213 2.094 ( 0.000 0.000 -2.708) 2.708 2.111 ( 0.000 0.000 2.439) 2.439 2.115 ( 0.000 0.000 -2.637) 2.637 2.141 ( 0.000 0.000 1.492) 1.492 2.182 ( 0.000 0.000 -2.019) 2.019 2.202 ( 0.000 0.000 -4.966) 4.966 2.216 ( 0.000 0.000 2.443) 2.443 2.245 ( 0.000 0.000 -1.585) 1.585 2.292 ( 0.000 0.000 0.456) 0.456 2.299 ( 0.000 0.000 -0.942) 0.942 2.312 ( 0.000 0.000 -0.698) 0.698 2.315 ( 0.000 0.000 -1.358) 1.358 2.371 ( 0.000 0.000 3.378) 3.378 2.417 ( 0.000 0.000 -1.897) 1.897 2.424 ( 0.000 0.000 0.113) 0.113 2.431 ( -0.000 0.000 -0.770) 0.770 2.443 ( 0.000 0.000 -2.142) 2.142 2.447 ( -0.000 0.000 -1.159) 1.159 2.492 ( 0.000 0.000 1.068) 1.068 2.527 ( 0.000 0.000 0.095) 0.095 2.552 ( 0.000 0.000 3.183) 3.183 2.568 ( 0.000 0.000 3.089) 3.089 2.573 ( -0.000 0.000 -2.830) 2.830 2.579 ( 0.000 0.000 -0.734) 0.734 2.593 ( -0.000 0.000 2.773) 2.773 2.607 ( 0.000 0.000 -1.883) 1.883 2.643 ( 0.000 0.000 2.655) 2.655 2.644 ( 0.000 0.000 1.572) 1.572 2.672 ( 0.000 0.000 0.025) 0.025 2.678 ( 0.000 0.000 -0.176) 0.176 2.732 ( 0.000 0.000 0.222) 0.222 2.741 ( 0.000 0.000 0.668) 0.668 2.751 ( 0.000 0.000 1.806) 1.806 2.787 ( -0.000 0.000 -1.864) 1.864 2.794 ( 0.000 0.000 0.188) 0.188 2.800 ( 0.000 0.000 0.286) 0.286 2.846 ( 0.000 0.000 -0.092) 0.092 2.849 ( 0.000 0.000 -0.790) 0.790 2.861 ( -0.000 0.000 -0.407) 0.407 2.892 ( 0.000 0.000 -2.964) 2.964 2.937 ( 0.000 0.000 1.621) 1.621 2.939 ( 0.000 0.000 1.572) 1.572 2.948 ( 0.000 0.000 0.286) 0.286 2.949 ( 0.000 0.000 0.518) 0.518 2.964 ( -0.000 0.000 -0.824) 0.824 2.970 ( -0.000 0.000 -1.193) 1.193 3.060 ( 0.000 0.000 0.526) 0.526 3.084 ( 0.000 0.000 3.100) 3.100 3.099 ( 0.000 0.000 -2.891) 2.891 3.119 ( 0.000 0.000 0.580) 0.580 3.130 ( 0.000 0.000 -0.885) 0.885 3.146 ( 0.000 0.000 -2.401) 2.401 3.200 ( 0.000 0.000 2.135) 2.135 3.247 ( 0.000 0.000 -2.250) 2.250 3.408 ( 0.000 0.000 0.260) 0.260 3.410 ( 0.000 0.000 0.141) 0.141 3.658 ( 0.000 0.000 5.698) 5.698 3.804 ( 0.000 0.000 -8.900) 8.900 3.812 ( 0.000 0.000 3.639) 3.639 3.895 ( 0.000 0.000 -4.174) 4.174 3.988 ( 0.000 0.000 0.048) 0.048 3.992 ( -0.000 0.000 -0.344) 0.344 4.218 ( 0.000 0.000 7.418) 7.418 4.293 ( 0.000 0.000 -1.311) 1.311 4.313 ( 0.000 0.000 2.131) 2.131 4.333 ( 0.000 0.000 2.692) 2.692 4.391 ( -0.000 0.000 -3.014) 3.014 4.396 ( 0.000 0.000 -4.531) 4.531 4.474 ( 0.000 0.000 0.034) 0.034 4.477 ( 0.000 0.000 1.386) 1.386 4.485 ( -0.000 0.000 -1.452) 1.452 4.494 ( -0.000 0.000 -0.433) 0.433 4.696 ( 0.000 0.000 3.533) 3.533 4.724 ( -0.000 0.000 1.566) 1.566 4.734 ( -0.000 0.000 -0.741) 0.741 4.784 ( 0.000 0.000 0.526) 0.526 4.790 ( -0.000 0.000 -3.769) 3.769 4.810 ( 0.000 0.000 -1.896) 1.896 4.855 ( 0.000 0.000 2.744) 2.744 4.888 ( 0.000 0.000 -0.579) 0.579 4.919 ( 0.000 0.000 3.870) 3.870 5.019 ( 0.000 0.000 -5.809) 5.809 5.065 ( -0.000 0.000 0.114) 0.114 5.082 ( -0.000 0.000 -1.096) 1.096 5.156 ( 0.000 0.000 2.882) 2.882 5.161 ( 0.000 0.000 1.039) 1.039 5.173 ( 0.000 0.000 -0.429) 0.429 5.203 ( 0.000 0.000 -1.755) 1.755 5.338 ( 0.000 0.000 2.924) 2.924 5.389 ( 0.000 0.000 -2.076) 2.076 5.415 ( 0.000 0.000 2.654) 2.654 5.467 ( 0.000 0.000 -2.248) 2.248 6.258 ( 0.000 0.000 2.158) 2.158 6.305 ( 0.000 0.000 -2.329) 2.329 6.612 ( 0.000 0.000 3.716) 3.716 6.704 ( 0.000 0.000 -5.276) 5.276 6.934 ( -0.000 0.000 1.960) 1.960 6.946 ( 0.000 0.000 2.956) 2.956 6.979 ( 0.000 0.000 -2.426) 2.426 6.989 ( 0.000 0.000 -1.425) 1.425 7.078 ( 0.000 0.000 2.005) 2.005 7.114 ( 0.000 0.000 -1.588) 1.588 7.341 ( 0.000 0.000 1.003) 1.003 7.361 ( 0.000 0.000 -0.775) 0.775 7.377 ( 0.000 0.000 -0.121) 0.121 7.380 ( 0.000 0.000 -0.221) 0.221 7.571 ( 0.000 0.000 1.675) 1.675 7.609 ( 0.000 0.000 -2.015) 2.015 7.623 ( 0.000 0.000 2.088) 2.088 7.669 ( 0.000 0.000 -2.309) 2.309 7.706 ( 0.000 0.000 3.205) 3.205 7.766 ( 0.000 0.000 -2.645) 2.645 7.799 ( 0.000 0.000 1.783) 1.783 7.817 ( -0.000 0.000 0.949) 0.949 7.830 ( 0.000 0.000 -0.348) 0.348 7.841 ( 0.000 0.000 -2.130) 2.130 7.918 ( 0.000 0.000 0.335) 0.335 7.928 ( 0.000 0.000 -0.632) 0.632 8.088 ( 0.000 0.000 0.391) 0.391 8.093 ( 0.000 0.000 -0.127) 0.127 8.099 ( 0.000 0.000 1.138) 1.138 8.124 ( 0.000 0.000 -1.396) 1.396 8.289 ( 0.000 0.000 2.094) 2.094 8.325 ( 0.000 0.000 -1.529) 1.529 8.452 ( 0.000 0.000 1.128) 1.128 8.483 ( 0.000 0.000 -1.929) 1.929 8.486 ( 0.000 0.000 1.952) 1.952 8.497 ( 0.000 0.000 0.755) 0.755 8.525 ( 0.000 0.000 -1.797) 1.797 8.531 ( 0.000 0.000 -1.962) 1.962 8.557 ( 0.000 0.000 1.233) 1.233 8.589 ( 0.000 0.000 -1.760) 1.760 8.607 ( 0.000 0.000 1.428) 1.428 8.627 ( -0.000 0.000 2.141) 2.141 8.631 ( 0.000 0.000 -1.036) 1.036 8.656 ( 0.000 0.000 -0.757) 0.757 8.863 ( 0.000 0.000 1.405) 1.405 8.879 ( 0.000 0.000 -0.001) 0.001 8.880 ( 0.000 0.000 -0.121) 0.121 8.890 ( 0.000 0.000 -1.099) 1.099 8.935 ( 0.000 0.000 3.362) 3.362 9.004 ( 0.000 0.000 -3.192) 3.192 9.123 ( 0.000 0.000 1.983) 1.983 9.173 ( 0.000 0.000 -2.849) 2.849 9.365 ( -0.000 0.000 1.618) 1.618 9.371 ( 0.000 0.000 1.039) 1.039 9.386 ( 0.000 0.000 -0.530) 0.530 9.396 ( -0.000 0.000 -1.300) 1.300 9.739 ( 0.000 0.000 3.860) 3.860 9.770 ( 0.000 0.000 1.873) 1.873 9.806 ( 0.000 0.000 -1.387) 1.387 9.825 ( 0.000 0.000 -4.411) 4.411 9.884 ( 0.000 0.000 0.126) 0.126 9.899 ( 0.000 0.000 -1.514) 1.514 9.941 ( 0.000 0.000 0.547) 0.547 9.943 ( 0.000 0.000 0.124) 0.124 10.325 ( 0.000 0.000 0.677) 0.677 10.340 ( 0.000 0.000 -0.734) 0.734 10.685 ( 0.000 0.000 6.471) 6.471 10.731 ( 0.000 0.000 0.524) 0.524 10.746 ( 0.000 0.000 -0.340) 0.340 10.757 ( 0.000 0.000 2.627) 2.627 10.811 ( 0.000 0.000 -2.490) 2.490 10.829 ( -0.000 0.000 -6.777) 6.777 11.009 ( 0.000 0.000 2.130) 2.130 11.019 ( 0.000 0.000 1.595) 1.595 11.046 ( 0.000 0.000 -1.173) 1.173 11.059 ( 0.000 0.000 -2.770) 2.770 11.204 ( 0.000 0.000 1.993) 1.993 11.237 ( 0.000 0.000 -1.205) 1.205 11.339 ( 0.000 0.000 1.277) 1.277 11.365 ( 0.000 0.000 -1.109) 1.109 11.600 ( 0.000 0.000 0.199) 0.199 11.606 ( 0.000 0.000 -0.353) 0.353 11.729 ( 0.000 0.000 1.175) 1.175 11.754 ( 0.000 0.000 2.372) 2.372 11.755 ( 0.000 0.000 -1.325) 1.325 11.799 ( 0.000 0.000 -1.922) 1.922 11.861 ( 0.000 0.000 0.323) 0.323 11.866 ( 0.000 0.000 -0.190) 0.190 11.916 ( 0.000 0.000 0.493) 0.493 11.926 ( 0.000 0.000 -0.447) 0.447 12.128 ( 0.000 0.000 0.538) 0.538 12.139 ( 0.000 0.000 -0.584) 0.584 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 16.853 12.158) 20.781 0.693 ( 0.000 15.796 15.632) 22.224 0.885 ( 0.000 8.963 -11.828) 14.840 1.021 ( 0.000 8.640 -16.269) 18.421 1.283 ( 0.000 19.805 16.476) 25.762 1.324 ( 0.000 -10.291 1.051) 10.344 1.341 ( 0.000 -9.332 3.237) 9.877 1.378 ( 0.000 0.621 6.604) 6.633 1.414 ( 0.000 -6.303 -4.015) 7.474 1.575 ( 0.000 5.078 4.543) 6.814 1.614 ( 0.000 -0.749 5.487) 5.538 1.676 ( 0.000 -1.202 -0.696) 1.389 1.707 ( 0.000 3.235 -0.586) 3.288 1.769 ( 0.000 -0.445 5.740) 5.757 1.863 ( 0.000 -1.619 -0.705) 1.765 1.882 ( 0.000 7.084 -6.327) 9.499 1.889 ( 0.000 1.466 -3.281) 3.594 1.921 ( 0.000 0.235 -3.556) 3.564 1.968 ( 0.000 0.789 0.767) 1.100 1.976 ( 0.000 1.785 -2.272) 2.889 1.977 ( 0.000 3.162 -1.995) 3.739 2.028 ( 0.000 -0.609 -3.124) 3.182 2.098 ( 0.000 -1.264 4.680) 4.848 2.099 ( 0.000 0.567 -6.515) 6.539 2.118 ( 0.000 0.614 -2.281) 2.363 2.177 ( 0.000 -2.185 -3.406) 4.047 2.193 ( 0.000 1.097 -0.902) 1.421 2.238 ( 0.000 -2.100 2.721) 3.437 2.243 ( 0.000 5.207 -4.394) 6.813 2.272 ( 0.000 2.059 -0.096) 2.061 2.277 ( 0.000 -2.394 0.074) 2.395 2.283 ( 0.000 1.097 -1.733) 2.051 2.355 ( 0.000 2.905 1.512) 3.275 2.360 ( 0.000 -3.377 1.435) 3.669 2.376 ( 0.000 -1.697 1.516) 2.276 2.381 ( 0.000 -4.693 -0.633) 4.736 2.388 ( 0.000 3.838 -1.195) 4.020 2.415 ( 0.000 0.026 -0.597) 0.598 2.439 ( 0.000 2.798 -1.143) 3.022 2.454 ( 0.000 3.111 -2.514) 4.000 2.475 ( 0.000 -2.824 0.285) 2.839 2.487 ( 0.000 -1.446 2.117) 2.564 2.505 ( 0.000 0.941 1.195) 1.521 2.590 ( 0.000 2.294 5.617) 6.067 2.590 ( 0.000 1.047 2.163) 2.403 2.609 ( 0.000 0.535 -3.437) 3.478 2.619 ( 0.000 0.037 1.023) 1.024 2.632 ( 0.000 2.551 2.840) 3.817 2.635 ( 0.000 1.204 -2.545) 2.815 2.645 ( 0.000 0.045 -1.065) 1.066 2.668 ( 0.000 -0.372 1.087) 1.149 2.683 ( 0.000 -0.689 0.528) 0.868 2.703 ( 0.000 -0.555 -0.298) 0.629 2.737 ( 0.000 -0.379 0.541) 0.660 2.743 ( 0.000 -1.086 -3.411) 3.580 2.784 ( 0.000 0.195 -2.244) 2.252 2.819 ( 0.000 -2.962 2.404) 3.815 2.858 ( 0.000 0.671 0.526) 0.853 2.881 ( 0.000 1.225 -1.562) 1.985 2.896 ( 0.000 -4.044 -3.957) 5.658 2.933 ( 0.000 -1.442 1.372) 1.990 2.956 ( 0.000 -12.342 2.166) 12.530 2.957 ( 0.000 -2.560 -0.832) 2.692 3.005 ( 0.000 -6.541 -0.645) 6.572 3.026 ( 0.000 -0.472 1.254) 1.340 3.101 ( 0.000 -0.274 0.657) 0.711 3.103 ( 0.000 -9.522 -6.651) 11.615 3.112 ( 0.000 -0.628 -0.258) 0.679 3.166 ( 0.000 0.469 1.929) 1.986 3.197 ( 0.000 0.773 -0.071) 0.777 3.252 ( 0.000 0.165 1.963) 1.970 3.274 ( 0.000 -1.215 -0.002) 1.215 3.284 ( 0.000 3.361 -0.104) 3.362 3.287 ( 0.000 2.544 -0.329) 2.566 3.356 ( 0.000 -2.132 2.460) 3.255 3.389 ( 0.000 -1.403 -1.326) 1.930 3.462 ( 0.000 0.141 3.666) 3.669 3.502 ( 0.000 -0.670 -1.113) 1.299 3.505 ( 0.000 -0.501 0.333) 0.602 3.521 ( 0.000 -0.491 -1.192) 1.289 3.624 ( 0.000 1.453 13.821) 13.897 3.706 ( 0.000 0.472 5.726) 5.745 3.797 ( 0.000 0.931 -2.902) 3.047 3.882 ( 0.000 -0.993 -9.044) 9.098 3.988 ( 0.000 2.760 -0.083) 2.762 4.003 ( 0.000 1.478 1.021) 1.796 4.037 ( 0.000 1.707 -6.004) 6.242 4.037 ( 0.000 1.433 -2.259) 2.675 4.326 ( 0.000 -0.677 5.372) 5.414 4.367 ( 0.000 -1.921 1.747) 2.596 4.395 ( 0.000 -0.471 -0.995) 1.100 4.405 ( 0.000 -0.941 -2.809) 2.963 4.473 ( 0.000 2.750 3.036) 4.096 4.543 ( 0.000 0.961 -3.664) 3.788 4.569 ( 0.000 -0.073 -0.174) 0.188 4.575 ( 0.000 -0.396 -0.641) 0.754 4.721 ( 0.000 0.603 0.613) 0.860 4.726 ( 0.000 0.752 0.132) 0.763 4.793 ( 0.000 -1.651 1.480) 2.217 4.823 ( 0.000 -2.324 -1.283) 2.655 5.064 ( 0.000 1.668 0.460) 1.730 5.075 ( 0.000 1.195 -0.572) 1.325 5.136 ( 0.000 -1.179 0.761) 1.404 5.154 ( 0.000 -1.727 -0.942) 1.968 5.331 ( 0.000 2.772 1.208) 3.024 5.372 ( 0.000 2.320 -3.098) 3.870 5.408 ( 0.000 -0.214 0.618) 0.654 5.423 ( 0.000 -0.956 -0.738) 1.208 5.500 ( 0.000 1.005 2.329) 2.537 5.540 ( 0.000 1.322 -1.610) 2.083 5.550 ( 0.000 -0.893 2.563) 2.713 5.599 ( 0.000 -0.832 -2.148) 2.304 6.771 ( 0.000 0.518 1.648) 1.727 6.797 ( 0.000 -0.844 1.797) 1.986 6.810 ( 0.000 0.939 -2.288) 2.473 6.844 ( 0.000 -0.838 -2.913) 3.031 6.890 ( 0.000 2.521 1.763) 3.076 6.922 ( 0.000 3.004 -1.425) 3.325 7.007 ( 0.000 -2.276 3.836) 4.461 7.048 ( 0.000 3.069 1.623) 3.471 7.077 ( 0.000 -2.376 -3.395) 4.144 7.082 ( 0.000 3.607 -1.551) 3.926 7.195 ( 0.000 -1.464 1.725) 2.262 7.227 ( 0.000 -1.464 -1.331) 1.979 7.413 ( 0.000 2.365 1.357) 2.727 7.454 ( 0.000 2.626 -2.978) 3.970 7.477 ( 0.000 0.570 2.740) 2.798 7.513 ( 0.000 -1.812 -0.456) 1.869 7.611 ( 0.000 -2.198 0.630) 2.286 7.653 ( 0.000 1.101 -3.239) 3.421 7.671 ( 0.000 -5.302 5.010) 7.294 7.742 ( 0.000 2.182 -0.083) 2.183 7.749 ( 0.000 -2.480 -2.936) 3.843 7.766 ( 0.000 2.788 -2.291) 3.609 7.826 ( 0.000 -1.172 -0.082) 1.175 7.836 ( 0.000 -1.457 -1.654) 2.204 7.921 ( 0.000 -0.488 1.858) 1.921 7.923 ( 0.000 -1.014 3.509) 3.653 7.947 ( 0.000 -1.789 -0.056) 1.790 7.949 ( 0.000 -2.035 0.739) 2.165 8.065 ( 0.000 2.266 -0.483) 2.317 8.069 ( 0.000 0.525 -0.806) 0.962 8.077 ( 0.000 0.743 1.729) 1.882 8.122 ( 0.000 -0.125 -2.236) 2.240 8.436 ( 0.000 0.917 -0.036) 0.918 8.447 ( 0.000 0.169 1.598) 1.607 8.455 ( 0.000 1.367 -1.654) 2.146 8.491 ( 0.000 0.250 -2.841) 2.852 8.560 ( 0.000 1.945 2.076) 2.844 8.603 ( 0.000 1.247 -1.890) 2.264 8.636 ( 0.000 -1.576 3.776) 4.091 8.703 ( 0.000 -1.042 -2.639) 2.837 8.734 ( 0.000 -0.176 0.990) 1.005 8.745 ( 0.000 0.187 0.044) 0.192 8.749 ( 0.000 -0.492 -0.170) 0.520 8.756 ( 0.000 -0.702 -0.505) 0.865 8.827 ( 0.000 -0.269 1.245) 1.274 8.846 ( 0.000 -0.426 -0.732) 0.847 8.856 ( 0.000 -0.853 -0.358) 0.925 8.861 ( 0.000 -0.349 -0.793) 0.866 8.956 ( 0.000 0.135 0.528) 0.545 8.963 ( 0.000 0.381 -0.131) 0.403 8.995 ( 0.000 -2.457 2.205) 3.302 9.007 ( 0.000 -1.869 0.734) 2.008 9.308 ( 0.000 2.616 0.861) 2.754 9.330 ( 0.000 1.888 -1.280) 2.281 9.412 ( 0.000 -1.519 0.529) 1.609 9.420 ( 0.000 -1.599 -0.168) 1.607 9.772 ( 0.000 0.064 2.913) 2.914 9.805 ( 0.000 -1.456 0.831) 1.676 9.825 ( 0.000 1.445 0.248) 1.466 9.830 ( 0.000 -0.225 -1.521) 1.538 9.847 ( 0.000 -0.556 -1.401) 1.508 9.873 ( 0.000 2.564 -1.757) 3.108 9.940 ( 0.000 -1.941 2.422) 3.103 9.979 ( 0.000 -1.125 -1.281) 1.705 10.318 ( 0.000 4.360 0.592) 4.400 10.333 ( 0.000 5.916 -0.847) 5.976 10.598 ( 0.000 -6.935 3.324) 7.691 10.662 ( 0.000 -7.773 -2.491) 8.163 10.794 ( 0.000 1.541 0.242) 1.560 10.798 ( 0.000 1.023 -0.140) 1.033 10.866 ( 0.000 -2.764 4.008) 4.869 10.931 ( 0.000 -3.619 -2.619) 4.467 11.057 ( 0.000 1.131 2.135) 2.416 11.081 ( 0.000 0.725 0.765) 1.054 11.100 ( 0.000 0.781 -1.014) 1.280 11.108 ( 0.000 0.335 -2.803) 2.823 11.332 ( 0.000 2.592 2.271) 3.447 11.370 ( 0.000 2.430 -1.434) 2.821 11.406 ( 0.000 5.997 1.927) 6.299 11.463 ( 0.000 6.448 -4.088) 7.635 11.608 ( 0.000 -3.390 0.484) 3.425 11.621 ( 0.000 -3.266 -0.611) 3.323 11.770 ( 0.000 -3.421 0.618) 3.477 11.790 ( 0.000 -3.254 -1.401) 3.543 11.803 ( 0.000 1.041 0.471) 1.143 11.819 ( 0.000 1.661 -1.224) 2.063 11.845 ( 0.000 -1.349 0.977) 1.665 11.860 ( 0.000 -0.819 -0.503) 0.961 11.917 ( 0.000 2.755 1.184) 2.999 11.928 ( 0.000 2.397 -0.063) 2.398 12.010 ( 0.000 -0.920 0.891) 1.281 12.027 ( 0.000 -1.424 -0.741) 1.605 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 9.951 11.182 14.311) 20.709 0.883 ( 15.316 12.537 8.240) 21.440 1.017 ( 9.797 6.194 -3.505) 12.109 1.120 ( 8.884 6.118 -14.759) 18.281 1.324 ( 0.652 -3.796 3.646) 5.304 1.388 ( 4.355 -4.280 0.451) 6.123 1.409 ( 7.006 -2.568 -0.286) 7.467 1.443 ( 2.332 -4.994 -5.719) 7.943 1.551 ( 10.964 1.410 6.084) 12.618 1.627 ( 5.328 0.424 1.257) 5.490 1.712 ( 6.182 1.952 3.601) 7.416 1.765 ( 4.199 -0.674 0.253) 4.260 1.774 ( 12.644 6.787 8.109) 16.483 1.793 ( 4.823 1.079 5.981) 7.759 1.884 ( 3.943 5.792 -2.636) 7.486 1.887 ( 3.267 -0.045 -0.996) 3.416 1.940 ( 2.849 0.113 -1.484) 3.214 1.965 ( 2.695 -0.592 -1.742) 3.263 1.970 ( 1.085 -0.510 -0.405) 1.266 1.989 ( 1.845 0.838 -1.606) 2.586 2.037 ( 2.627 4.084 -0.008) 4.856 2.043 ( 1.099 0.875 -1.679) 2.189 2.102 ( 0.455 0.131 -0.957) 1.067 2.138 ( 1.711 0.730 0.862) 2.050 2.144 ( 3.120 0.947 -1.045) 3.424 2.191 ( 0.578 0.451 -0.990) 1.232 2.205 ( 1.571 -0.617 -2.543) 3.052 2.232 ( -1.944 2.823 -1.394) 3.700 2.252 ( -0.631 0.973 0.060) 1.162 2.260 ( 1.098 -0.605 1.378) 1.863 2.287 ( 2.262 2.099 -4.991) 5.868 2.299 ( 1.474 -1.022 -1.496) 2.335 2.339 ( -0.622 -0.914 0.369) 1.165 2.362 ( 1.588 1.334 0.258) 2.090 2.390 ( 0.917 -1.629 1.190) 2.215 2.409 ( 1.923 -1.583 -0.054) 2.491 2.415 ( 0.423 0.578 0.772) 1.053 2.440 ( 0.458 1.496 -1.294) 2.030 2.450 ( 2.379 0.117 0.205) 2.391 2.460 ( 0.945 0.429 -1.076) 1.495 2.474 ( 0.380 -1.295 2.054) 2.458 2.511 ( 1.006 1.501 3.298) 3.760 2.526 ( 0.644 -1.830 -2.194) 2.929 2.554 ( -2.432 1.380 -0.147) 2.800 2.590 ( -0.317 -0.736 2.708) 2.824 2.600 ( 0.560 2.444 -1.380) 2.862 2.613 ( 0.427 1.574 2.179) 2.722 2.620 ( 0.432 1.282 0.512) 1.446 2.629 ( 1.193 1.745 -3.031) 3.695 2.650 ( 0.799 -0.446 -0.442) 1.016 2.682 ( -0.464 -1.215 0.164) 1.311 2.698 ( 2.287 -0.117 -1.139) 2.558 2.711 ( 0.175 0.198 -2.074) 2.091 2.735 ( -0.065 -0.307 -3.166) 3.181 2.769 ( 2.643 -2.632 1.616) 4.065 2.811 ( 2.362 -1.286 -0.256) 2.702 2.837 ( 1.450 -2.732 1.183) 3.312 2.861 ( -0.217 -0.363 -0.408) 0.588 2.868 ( -1.260 0.532 -1.410) 1.965 2.889 ( -0.968 -2.732 -2.177) 3.625 2.903 ( -2.087 -1.711 1.666) 3.172 2.929 ( -1.633 -1.898 -0.964) 2.683 2.972 ( 0.684 -2.728 0.963) 2.973 3.013 ( -0.847 0.273 -2.001) 2.190 3.041 ( 2.514 -4.467 2.106) 5.541 3.066 ( -0.447 -0.446 0.464) 0.784 3.085 ( -2.140 -0.312 -0.257) 2.178 3.096 ( -0.938 -1.618 -1.886) 2.656 3.144 ( -6.013 3.951 0.956) 7.258 3.154 ( -4.525 0.881 -1.075) 4.734 3.228 ( -0.118 -1.480 -0.026) 1.485 3.232 ( 0.236 -0.967 -0.549) 1.137 3.273 ( -1.264 -1.874 0.550) 2.326 3.280 ( -0.207 -2.161 0.027) 2.171 3.345 ( -3.797 -2.846 0.284) 4.753 3.366 ( -1.886 -4.472 -1.664) 5.131 3.422 ( -3.586 0.274 1.949) 4.091 3.452 ( -4.456 -0.375 -1.023) 4.587 3.473 ( -2.062 -1.042 0.816) 2.450 3.499 ( 0.507 -2.134 -1.722) 2.789 3.687 ( 6.055 1.430 15.351) 16.564 3.764 ( 5.295 0.665 5.795) 7.878 3.842 ( 4.072 1.414 -2.128) 4.807 3.926 ( 3.743 -0.673 -5.756) 6.899 4.005 ( 1.780 3.077 -0.303) 3.568 4.028 ( 1.810 0.807 0.015) 1.982 4.060 ( 2.222 0.374 -1.980) 3.000 4.065 ( 3.028 0.761 -6.466) 7.181 4.332 ( 1.529 0.240 3.398) 3.734 4.377 ( 0.776 -0.264 -1.029) 1.316 4.413 ( 2.304 -1.854 1.642) 3.382 4.444 ( 2.601 -2.216 -1.203) 3.622 4.520 ( 4.420 3.276 3.635) 6.594 4.598 ( 4.848 2.053 -3.594) 6.374 4.624 ( 4.188 0.444 0.379) 4.229 4.639 ( 5.452 1.164 -0.830) 5.636 4.754 ( 2.774 0.104 0.707) 2.864 4.768 ( 4.295 -0.211 -0.498) 4.329 4.831 ( 2.977 -2.006 0.282) 3.601 4.841 ( 1.388 -2.132 -0.504) 2.594 5.065 ( 0.277 1.644 1.390) 2.171 5.089 ( 1.442 0.734 -0.866) 1.835 5.140 ( -0.031 -0.938 0.215) 0.963 5.146 ( -0.299 -1.320 -0.422) 1.418 5.318 ( -1.323 2.287 0.930) 2.801 5.349 ( -1.897 1.653 -2.117) 3.288 5.390 ( -1.995 -0.094 0.546) 2.071 5.402 ( -2.418 -1.125 -0.653) 2.746 5.454 ( -3.422 0.909 2.216) 4.177 5.492 ( -4.041 1.484 -1.473) 4.550 5.508 ( -4.033 -1.113 2.233) 4.742 5.553 ( -4.554 -0.890 -1.946) 5.031 6.672 ( -7.330 1.967 1.707) 7.779 6.713 ( -7.281 2.557 -2.244) 8.037 6.776 ( -3.094 -2.242 2.060) 4.341 6.829 ( -2.205 -1.991 -3.236) 4.393 6.894 ( 0.338 2.371 1.863) 3.035 6.933 ( 0.678 2.996 -1.883) 3.603 7.013 ( 0.177 -1.940 3.269) 3.805 7.055 ( 0.434 3.098 1.799) 3.608 7.066 ( -0.168 -0.593 -2.206) 2.291 7.090 ( 0.132 1.789 -1.432) 2.295 7.216 ( 1.843 -1.933 1.069) 2.877 7.238 ( 0.926 -2.199 -1.007) 2.590 7.408 ( -0.300 2.437 0.987) 2.647 7.434 ( -1.149 2.827 -1.533) 3.415 7.497 ( 1.788 0.202 2.408) 3.006 7.523 ( 0.622 -2.234 -0.232) 2.331 7.609 ( -0.049 -2.154 1.252) 2.492 7.616 ( -1.369 -1.460 2.383) 3.112 7.674 ( 0.044 -1.125 -2.403) 2.654 7.713 ( -1.334 -0.429 -3.769) 4.021 7.776 ( 1.887 1.943 1.359) 3.030 7.808 ( 1.599 1.430 -0.367) 2.176 7.833 ( 0.769 -0.521 -1.879) 2.096 7.835 ( 1.094 -0.064 -0.709) 1.306 7.912 ( -0.815 -0.017 2.848) 2.963 7.952 ( 0.361 -0.996 -0.963) 1.432 7.955 ( 2.334 -1.009 1.870) 3.157 7.969 ( 1.304 -2.253 0.963) 2.775 8.079 ( 1.230 1.429 0.316) 1.912 8.088 ( 2.009 0.094 1.671) 2.615 8.105 ( 0.360 -0.211 -1.742) 1.791 8.130 ( 2.551 -0.908 -1.592) 3.141 8.446 ( 0.418 0.595 0.369) 0.815 8.449 ( 0.451 0.472 0.020) 0.653 8.463 ( 0.934 1.245 -0.736) 1.721 8.481 ( -0.396 0.312 -1.828) 1.896 8.570 ( 0.573 0.655 1.719) 1.926 8.593 ( -0.934 0.419 0.233) 1.050 8.626 ( -1.019 0.166 1.178) 1.566 8.654 ( -3.045 -0.242 -0.719) 3.138 8.710 ( -2.893 -0.289 0.432) 2.939 8.723 ( -2.377 -0.101 -0.811) 2.513 8.734 ( -1.431 -1.037 0.941) 2.002 8.758 ( -0.130 -2.074 -1.689) 2.678 8.843 ( 1.156 0.237 1.244) 1.715 8.864 ( 0.736 -0.126 -0.911) 1.178 8.875 ( 1.695 -0.295 -0.453) 1.779 8.880 ( 1.076 -0.359 -0.700) 1.333 8.947 ( -0.430 0.522 0.874) 1.105 8.962 ( 0.397 0.674 -0.610) 0.992 9.006 ( 1.231 -1.977 1.740) 2.907 9.025 ( 1.853 -1.713 -0.386) 2.553 9.315 ( 0.642 2.628 0.533) 2.757 9.331 ( 0.040 2.076 -0.934) 2.277 9.426 ( 0.447 -1.617 0.462) 1.740 9.435 ( 1.626 -2.064 -0.359) 2.652 9.775 ( 0.218 0.175 2.788) 2.801 9.812 ( 0.214 -0.394 0.794) 0.912 9.827 ( 0.272 0.041 0.041) 0.278 9.837 ( -0.146 0.807 -0.320) 0.880 9.843 ( 0.381 -0.461 -2.588) 2.656 9.864 ( -0.252 1.766 -1.126) 2.110 9.936 ( -0.553 -1.887 1.746) 2.630 9.970 ( -1.197 -1.607 -1.332) 2.406 10.326 ( 0.748 4.424 0.844) 4.566 10.345 ( 1.071 5.976 -0.962) 6.146 10.599 ( 0.088 -6.423 3.400) 7.268 10.664 ( 0.257 -6.871 -2.574) 7.342 10.789 ( -0.505 1.205 0.239) 1.328 10.793 ( -0.554 0.821 -0.125) 0.998 10.842 ( -1.866 -1.609 3.599) 4.361 10.909 ( -1.792 -3.206 -3.030) 4.761 11.054 ( -0.359 0.966 2.125) 2.361 11.070 ( -0.821 0.691 1.239) 1.639 11.096 ( -0.368 0.596 -1.214) 1.402 11.104 ( -0.548 0.265 -2.648) 2.717 11.313 ( -1.613 2.947 2.073) 3.947 11.349 ( -1.828 3.015 -1.368) 3.782 11.400 ( -0.525 4.615 1.620) 4.919 11.437 ( -1.380 5.604 -1.964) 6.097 11.597 ( -0.939 -3.430 0.403) 3.579 11.608 ( -0.898 -2.659 -0.564) 2.863 11.752 ( -1.583 -2.890 0.663) 3.361 11.771 ( -1.173 -2.423 -1.275) 2.979 11.814 ( 0.869 -0.409 1.042) 1.418 11.834 ( 1.203 -0.183 -0.877) 1.500 11.851 ( 0.261 -0.722 1.414) 1.609 11.875 ( 0.900 -0.347 -0.901) 1.319 11.899 ( -0.490 3.824 0.691) 3.917 11.910 ( -0.867 4.097 -0.363) 4.203 12.057 ( 2.049 -2.259 0.627) 3.114 12.082 ( 3.271 -3.788 -1.927) 5.363 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 8.773 5.301 12.972) 16.533 1.166 ( 10.508 6.186 1.235) 12.256 1.217 ( 10.729 5.159 5.207) 12.994 1.324 ( 0.005 -1.813 4.161) 4.539 1.333 ( 9.837 1.994 -8.217) 12.972 1.451 ( 1.766 0.563 -7.570) 7.794 1.524 ( 5.995 0.464 0.861) 6.074 1.562 ( 7.168 1.068 -2.531) 7.676 1.698 ( 5.783 -5.485 -0.496) 7.986 1.721 ( 3.960 -2.717 -2.538) 5.432 1.814 ( 3.518 -5.073 0.255) 6.178 1.836 ( 3.091 -2.165 -0.145) 3.777 1.858 ( 3.071 2.775 1.053) 4.271 1.908 ( 1.371 2.032 -1.761) 3.018 1.977 ( 2.395 0.425 0.344) 2.456 1.989 ( 1.359 -1.238 -0.067) 1.839 2.007 ( 1.172 1.273 -1.237) 2.127 2.016 ( 2.468 0.828 0.001) 2.603 2.049 ( 2.981 0.108 -0.710) 3.066 2.060 ( 1.540 0.359 0.169) 1.590 2.088 ( 4.022 0.337 0.792) 4.113 2.123 ( 2.860 1.040 -0.869) 3.165 2.135 ( 0.509 2.242 3.508) 4.195 2.151 ( -0.855 0.964 1.324) 1.847 2.183 ( -1.606 2.600 -1.928) 3.613 2.190 ( 0.178 -0.363 1.834) 1.878 2.222 ( 1.671 -0.031 -1.306) 2.121 2.236 ( 1.384 0.240 -1.752) 2.245 2.277 ( -0.328 1.694 0.970) 1.979 2.293 ( 2.090 -2.185 2.862) 4.163 2.299 ( 0.638 2.140 0.793) 2.370 2.321 ( -0.605 -0.369 -0.274) 0.760 2.332 ( 1.097 -1.117 -1.005) 1.861 2.358 ( -1.543 -1.389 -0.920) 2.271 2.423 ( -0.026 -1.599 3.316) 3.682 2.439 ( -0.463 0.805 1.618) 1.866 2.442 ( 1.711 0.457 1.932) 2.621 2.454 ( 2.754 0.572 -0.277) 2.826 2.485 ( 3.113 0.936 -0.652) 3.315 2.491 ( 1.041 -0.140 0.844) 1.347 2.498 ( 2.969 -1.837 -0.536) 3.532 2.525 ( 0.673 0.500 1.577) 1.786 2.529 ( -1.028 -1.089 -2.703) 3.090 2.560 ( -0.976 0.330 -1.094) 1.503 2.585 ( 3.384 -0.143 1.664) 3.773 2.612 ( 1.909 -1.966 0.174) 2.746 2.622 ( 2.481 3.498 0.202) 4.293 2.645 ( 1.301 3.540 -0.265) 3.781 2.649 ( -0.629 -0.187 -1.258) 1.419 2.656 ( -0.522 -0.065 -1.334) 1.434 2.715 ( 1.655 0.472 1.444) 2.246 2.741 ( 0.883 -0.400 -1.172) 1.521 2.761 ( 0.699 -1.362 2.568) 2.990 2.791 ( 2.467 0.928 0.874) 2.777 2.797 ( 2.805 -0.493 1.093) 3.050 2.820 ( 0.609 0.623 -0.289) 0.918 2.838 ( 0.734 1.330 -1.865) 2.406 2.854 ( -1.284 -0.428 -1.068) 1.724 2.862 ( 1.137 -0.050 -1.327) 1.749 2.868 ( 0.040 -1.758 -2.929) 3.417 2.916 ( 2.195 -0.261 2.523) 3.355 2.945 ( 3.278 -1.651 0.034) 3.671 2.975 ( -0.601 2.702 0.064) 2.769 2.988 ( 0.177 3.779 -0.880) 3.884 3.032 ( -2.058 2.216 2.171) 3.723 3.051 ( -0.648 1.962 0.020) 2.066 3.069 ( -0.280 1.671 -0.148) 1.701 3.101 ( 3.516 2.084 -3.055) 5.103 3.131 ( 2.889 -0.459 -0.622) 2.990 3.143 ( 4.791 -1.467 -1.278) 5.171 3.182 ( -2.010 -2.149 0.077) 2.943 3.190 ( -4.298 -1.775 -0.637) 4.694 3.221 ( -2.367 -0.654 0.239) 2.468 3.240 ( -5.615 -0.957 -1.300) 5.842 3.287 ( -1.707 -1.928 -0.193) 2.582 3.301 ( -3.309 -3.496 -1.981) 5.206 3.343 ( -3.697 0.208 0.928) 3.818 3.383 ( 1.819 2.136 -4.076) 4.948 3.510 ( 8.775 -8.715 5.397) 13.494 3.629 ( 9.759 -6.686 -6.820) 13.655 3.853 ( 9.108 1.487 11.346) 14.625 3.897 ( 7.261 0.699 6.947) 10.073 3.934 ( 4.058 1.435 -0.311) 4.316 4.010 ( 3.838 1.285 2.127) 4.572 4.068 ( 3.812 1.923 -1.505) 4.527 4.080 ( 4.747 -0.942 -4.040) 6.305 4.129 ( 4.594 -1.341 -0.948) 4.879 4.163 ( 6.007 -0.424 -6.429) 8.809 4.387 ( 3.308 1.186 1.713) 3.910 4.413 ( 2.445 0.753 -0.854) 2.697 4.465 ( 2.512 -1.728 2.267) 3.800 4.505 ( 2.960 -2.476 -1.751) 4.238 4.624 ( 4.940 3.502 3.861) 7.182 4.705 ( 4.246 3.109 -3.600) 6.376 4.711 ( 4.114 0.219 2.124) 4.635 4.757 ( 5.082 1.329 -2.076) 5.649 4.819 ( 2.777 -0.558 2.651) 3.879 4.860 ( 0.706 -1.567 1.320) 2.168 4.875 ( 4.702 -1.288 -2.945) 5.696 4.899 ( 3.414 -1.971 -2.459) 4.646 5.073 ( -0.493 1.427 2.600) 3.007 5.107 ( -0.506 -0.160 -0.834) 0.988 5.145 ( 1.235 -0.077 0.234) 1.259 5.150 ( 0.418 -0.237 -0.262) 0.547 5.236 ( -7.520 1.993 0.492) 7.795 5.244 ( -7.989 2.031 0.068) 8.243 5.317 ( -4.859 -1.045 0.841) 5.041 5.343 ( -5.008 -1.880 -1.502) 5.556 5.394 ( -3.773 -0.096 1.194) 3.958 5.413 ( -2.557 0.189 0.171) 2.570 5.423 ( -3.613 -0.473 -0.179) 3.648 5.442 ( -2.048 -0.358 -1.141) 2.371 6.507 ( -8.015 3.478 1.938) 8.949 6.552 ( -7.764 4.007 -2.284) 9.031 6.688 ( -4.887 -3.569 2.763) 6.652 6.759 ( -4.184 -3.926 -4.238) 7.133 6.907 ( 0.895 2.453 2.043) 3.316 6.948 ( 0.963 2.831 -2.004) 3.600 7.007 ( -0.708 -0.745 3.057) 3.225 7.055 ( -0.553 1.134 -0.932) 1.569 7.073 ( 0.737 0.875 0.374) 1.204 7.096 ( 0.653 2.217 -0.895) 2.478 7.258 ( 1.232 -3.674 -0.005) 3.875 7.260 ( 1.864 -3.063 -0.122) 3.588 7.402 ( -0.312 2.155 0.826) 2.329 7.419 ( -0.353 2.695 -0.766) 2.824 7.530 ( 0.179 -2.923 0.775) 3.030 7.541 ( 1.950 -1.206 0.279) 2.310 7.606 ( 0.342 -0.559 3.289) 3.354 7.617 ( 1.048 -2.361 2.195) 3.390 7.685 ( 0.767 0.697 -3.612) 3.758 7.701 ( 0.361 -0.391 -4.214) 4.247 7.812 ( 1.175 2.686 1.637) 3.358 7.827 ( 0.758 1.977 0.964) 2.326 7.866 ( 1.722 0.279 -0.745) 1.897 7.868 ( 1.604 0.519 -0.869) 1.896 7.894 ( -0.045 1.555 1.453) 2.128 7.934 ( -1.583 1.382 -1.998) 2.899 8.007 ( 2.227 -2.476 0.952) 3.464 8.015 ( 2.900 -1.734 0.326) 3.394 8.098 ( -0.394 -0.327 0.026) 0.512 8.106 ( 1.189 1.281 -0.569) 1.838 8.151 ( 3.338 -2.468 2.809) 5.012 8.198 ( 3.218 -2.392 -1.868) 4.423 8.446 ( 0.201 0.370 0.906) 0.999 8.467 ( 0.940 0.216 -0.781) 1.241 8.484 ( 0.538 0.029 -0.477) 0.720 8.494 ( 1.267 0.331 -1.240) 1.803 8.559 ( -1.227 0.519 1.342) 1.891 8.578 ( -0.493 0.031 1.053) 1.163 8.585 ( -2.333 0.581 -0.368) 2.432 8.607 ( -1.896 0.152 -0.875) 2.094 8.654 ( -1.752 0.604 0.766) 2.005 8.665 ( -2.729 0.261 -0.443) 2.777 8.696 ( -2.210 -1.164 1.235) 2.787 8.729 ( -2.572 -1.692 -1.901) 3.618 8.862 ( 0.574 0.254 0.745) 0.974 8.868 ( -0.477 -0.290 0.548) 0.783 8.881 ( -0.306 -0.047 -0.327) 0.450 8.891 ( -0.327 -0.811 -0.834) 1.209 8.954 ( 1.044 1.778 1.819) 2.749 8.991 ( 2.094 1.721 -1.699) 3.199 9.046 ( 2.314 -1.963 1.534) 3.400 9.080 ( 3.062 -1.792 -1.722) 3.944 9.334 ( 0.478 2.245 -0.018) 2.296 9.335 ( 1.102 2.476 -0.122) 2.713 9.428 ( -0.377 -1.471 1.415) 2.075 9.457 ( 0.152 -2.116 -1.300) 2.489 9.777 ( -0.189 0.494 2.083) 2.149 9.799 ( -1.356 0.946 1.470) 2.212 9.811 ( -1.075 0.851 -0.996) 1.695 9.842 ( 0.154 -1.264 -1.150) 1.716 9.862 ( 1.348 -0.201 -0.825) 1.593 9.881 ( 1.255 -0.261 -1.286) 1.816 9.915 ( -1.208 -1.624 0.929) 2.227 9.935 ( -1.665 -1.263 -0.640) 2.186 10.347 ( 1.209 4.611 1.314) 4.945 10.373 ( 1.566 6.151 -1.215) 6.462 10.604 ( 0.486 -5.356 3.834) 6.605 10.677 ( 1.096 -5.488 -2.920) 6.312 10.773 ( -1.096 0.338 0.318) 1.190 10.779 ( -0.649 1.027 -0.221) 1.235 10.803 ( -1.765 -0.891 2.870) 3.485 10.870 ( -1.848 -2.909 -3.424) 4.858 11.041 ( -0.813 0.781 1.906) 2.214 11.051 ( -0.957 0.415 1.752) 2.039 11.085 ( -0.796 0.276 -2.036) 2.203 11.086 ( -1.067 0.286 -1.761) 2.079 11.276 ( -1.814 3.058 1.791) 3.981 11.307 ( -1.930 3.069 -1.275) 3.842 11.386 ( -0.773 2.474 1.370) 2.932 11.414 ( -0.963 3.041 -1.259) 3.429 11.574 ( -1.145 -2.998 0.585) 3.263 11.589 ( -0.928 -1.775 -0.772) 2.146 11.720 ( -1.350 -3.258 1.089) 3.691 11.747 ( -1.175 -3.167 -1.455) 3.678 11.831 ( 0.888 0.753 1.196) 1.670 11.851 ( 0.173 1.112 -0.548) 1.251 11.861 ( 0.609 0.572 0.810) 1.164 11.881 ( -0.126 1.795 -0.901) 2.013 11.900 ( 0.356 3.157 0.459) 3.210 11.908 ( 0.580 2.174 -0.368) 2.280 12.088 ( 0.796 -2.924 0.938) 3.172 12.112 ( 0.136 -3.906 -1.422) 4.159 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 4.816 2.102 9.565) 10.913 1.269 ( 0.701 -1.903 5.109) 5.496 1.320 ( 1.962 1.181 -2.709) 3.547 1.395 ( -0.852 -1.424 -5.365) 5.616 1.503 ( 12.450 5.844 3.453) 14.180 1.575 ( 7.322 2.264 -2.866) 8.182 1.655 ( 6.425 3.652 0.163) 7.392 1.699 ( 5.674 2.273 -1.901) 6.401 1.775 ( 1.373 -3.639 -1.257) 4.088 1.787 ( 2.354 -4.466 -1.110) 5.169 1.861 ( 1.081 -1.884 0.058) 2.173 1.877 ( 0.883 -3.870 -1.032) 4.101 1.906 ( 1.717 2.340 2.173) 3.626 1.940 ( 0.785 1.903 -1.334) 2.453 1.990 ( -1.484 0.634 -1.044) 1.922 2.010 ( -1.263 0.163 -2.026) 2.393 2.019 ( 0.703 -1.378 0.271) 1.570 2.031 ( 0.521 1.045 0.004) 1.168 2.064 ( 0.243 -0.347 0.666) 0.789 2.088 ( 0.798 -0.511 -0.793) 1.235 2.098 ( -2.169 1.596 3.680) 4.560 2.111 ( -1.613 0.192 2.448) 2.938 2.154 ( -2.167 0.389 0.017) 2.201 2.162 ( 1.687 0.880 0.458) 1.958 2.177 ( 1.635 -0.644 0.171) 1.766 2.195 ( 1.117 -1.374 -2.851) 3.357 2.231 ( -0.998 0.207 -0.314) 1.066 2.250 ( -1.134 0.194 -1.556) 1.935 2.259 ( -0.283 -0.754 -1.135) 1.391 2.271 ( 0.441 1.093 -2.483) 2.748 2.293 ( 0.611 0.126 2.765) 2.835 2.324 ( 1.616 0.248 1.949) 2.544 2.347 ( 0.519 -1.732 -1.644) 2.444 2.374 ( 1.314 -0.231 -2.171) 2.548 2.397 ( -2.776 -0.308 0.444) 2.828 2.404 ( -1.494 -2.847 -0.069) 3.216 2.442 ( -0.139 0.090 1.279) 1.290 2.461 ( -2.084 1.504 -0.788) 2.688 2.494 ( 1.917 0.910 1.403) 2.544 2.499 ( -0.042 -0.833 0.788) 1.147 2.517 ( -0.422 -2.180 -1.061) 2.461 2.529 ( 0.176 -1.251 -0.861) 1.529 2.567 ( 0.050 -0.320 1.545) 1.578 2.595 ( 2.087 -2.207 0.311) 3.053 2.611 ( 0.296 -0.303 2.131) 2.173 2.623 ( -0.567 0.604 -0.354) 0.901 2.634 ( 1.672 -0.308 2.618) 3.122 2.655 ( 0.500 -0.959 0.549) 1.213 2.661 ( -0.318 0.460 -0.156) 0.581 2.688 ( -0.237 1.689 -0.906) 1.931 2.719 ( 1.211 0.409 -1.095) 1.683 2.732 ( -0.919 -0.855 -0.639) 1.409 2.737 ( -1.585 -1.121 1.337) 2.357 2.776 ( -1.070 0.446 -1.237) 1.695 2.801 ( -2.468 -0.710 0.241) 2.580 2.817 ( -2.222 -0.055 -0.100) 2.225 2.835 ( -0.045 0.416 -0.109) 0.433 2.846 ( 0.070 1.860 -2.189) 2.874 2.875 ( 0.392 -0.858 0.116) 0.950 2.893 ( 0.562 0.146 -0.359) 0.682 2.955 ( 0.684 2.798 1.090) 3.079 2.962 ( 0.623 2.526 0.477) 2.645 2.993 ( 0.520 3.518 2.745) 4.492 3.017 ( -0.059 3.086 -0.213) 3.093 3.043 ( -1.962 0.729 -0.264) 2.109 3.059 ( -2.318 0.049 -1.135) 2.581 3.087 ( 1.476 1.263 -0.400) 1.983 3.092 ( -0.066 0.361 -1.203) 1.258 3.115 ( -3.501 -0.220 1.340) 3.756 3.126 ( -2.133 0.283 0.531) 2.217 3.134 ( -1.876 0.949 -0.041) 2.103 3.177 ( -0.690 -0.279 -1.349) 1.540 3.187 ( -0.516 -0.438 1.449) 1.599 3.241 ( -1.090 -1.411 -2.554) 3.115 3.304 ( 3.905 -4.459 0.568) 5.955 3.312 ( 4.085 -4.207 -0.112) 5.865 3.471 ( 17.019 3.495 5.291) 18.162 3.623 ( 16.870 3.802 -10.122) 20.038 3.718 ( 8.320 -4.509 4.275) 10.384 3.821 ( 7.488 -2.758 -5.760) 9.842 3.988 ( 3.284 1.983 0.337) 3.851 3.996 ( 2.283 2.726 -0.374) 3.575 4.087 ( 9.672 -0.802 9.284) 13.431 4.123 ( 9.015 0.274 4.817) 10.224 4.164 ( 5.441 -3.325 -0.426) 6.391 4.219 ( 7.290 -0.871 -1.589) 7.512 4.240 ( 5.946 -0.695 -1.834) 6.261 4.299 ( 6.910 -0.937 -5.582) 8.933 4.449 ( 2.459 1.416 1.170) 3.069 4.465 ( 2.289 1.661 -0.395) 2.856 4.509 ( 1.660 -1.042 1.977) 2.784 4.549 ( 0.995 -1.154 -2.175) 2.655 4.703 ( 2.523 2.156 2.993) 4.468 4.751 ( 0.196 0.052 0.744) 0.771 4.778 ( 1.324 0.328 -0.618) 1.497 4.807 ( -0.779 -1.219 -1.267) 1.924 4.827 ( -2.264 -0.064 1.857) 2.929 4.874 ( -2.625 1.391 -1.899) 3.526 4.907 ( -1.698 1.993 0.378) 2.646 4.936 ( -1.484 -1.265 -0.965) 2.176 4.985 ( -7.061 0.384 -0.285) 7.077 5.023 ( -3.975 1.219 -2.699) 4.957 5.118 ( -6.502 -2.351 2.418) 7.324 5.145 ( -1.146 0.101 0.846) 1.428 5.158 ( -1.208 -0.080 1.147) 1.667 5.163 ( -2.968 -1.026 -0.680) 3.213 5.175 ( -2.931 0.105 -0.110) 2.935 5.194 ( -0.252 0.260 -0.866) 0.938 5.352 ( -1.032 1.093 1.666) 2.244 5.388 ( 0.218 0.085 -1.661) 1.678 5.406 ( -0.036 -0.752 1.641) 1.806 5.441 ( 0.580 -1.428 -1.617) 2.234 6.367 ( -5.114 4.424 2.213) 7.115 6.416 ( -4.911 4.865 -2.463) 7.339 6.597 ( -3.495 -4.367 3.296) 6.492 6.677 ( -3.230 -5.067 -4.510) 7.513 6.930 ( 1.359 2.144 2.147) 3.325 6.972 ( 1.105 2.008 -1.161) 2.569 6.989 ( -0.788 0.918 1.715) 2.099 7.035 ( -1.236 0.926 -2.002) 2.528 7.089 ( 0.626 1.888 1.474) 2.475 7.114 ( 0.848 1.471 -0.947) 1.944 7.275 ( 0.537 -4.521 0.902) 4.641 7.296 ( 1.215 -4.370 -1.097) 4.667 7.396 ( -0.223 1.945 1.003) 2.200 7.415 ( -0.150 2.713 -0.768) 2.824 7.530 ( -0.104 -3.269 1.568) 3.627 7.567 ( 0.583 -2.972 -2.035) 3.649 7.621 ( 0.877 0.467 2.964) 3.126 7.660 ( 2.663 -1.167 3.103) 4.252 7.691 ( 0.143 1.443 -3.297) 3.602 7.729 ( 1.530 -0.383 -2.903) 3.304 7.820 ( 0.258 1.957 1.628) 2.559 7.845 ( 0.616 2.827 -0.465) 2.931 7.859 ( -0.929 -0.074 1.153) 1.483 7.885 ( -1.245 1.218 -1.383) 2.224 7.920 ( 1.415 2.062 0.372) 2.528 7.936 ( 2.201 2.676 -1.246) 3.682 8.051 ( 1.681 -2.487 0.313) 3.018 8.063 ( 1.736 -1.748 -0.501) 2.514 8.093 ( 0.016 0.146 1.506) 1.513 8.119 ( -0.114 0.796 -1.211) 1.454 8.209 ( 2.112 -3.965 2.565) 5.173 8.252 ( 1.911 -3.738 -1.706) 4.531 8.461 ( 1.143 0.058 1.083) 1.576 8.471 ( -1.037 0.383 0.084) 1.108 8.485 ( 0.019 -0.638 -0.012) 0.638 8.505 ( 0.107 -0.448 -1.334) 1.411 8.535 ( -1.870 0.671 0.306) 2.010 8.541 ( -0.668 1.578 -0.195) 1.724 8.577 ( -0.601 -0.517 0.692) 1.052 8.592 ( 0.575 -0.325 -1.035) 1.228 8.626 ( -0.449 0.910 0.317) 1.063 8.637 ( -0.699 0.490 -0.686) 1.095 8.654 ( -1.498 -0.260 0.940) 1.787 8.671 ( -2.186 -0.084 -0.809) 2.333 8.850 ( -0.896 -0.610 1.481) 1.836 8.869 ( 0.165 -0.523 0.340) 0.645 8.875 ( -0.439 -0.616 -0.729) 1.050 8.879 ( -0.446 -0.715 -0.755) 1.131 8.975 ( 0.795 2.839 2.629) 3.950 9.030 ( 1.474 2.683 -2.627) 4.034 9.086 ( 1.415 -1.972 1.996) 3.143 9.135 ( 1.968 -1.685 -2.634) 3.695 9.347 ( 0.972 1.571 0.946) 2.076 9.364 ( 1.532 1.823 -0.681) 2.477 9.408 ( -1.479 -0.724 1.706) 2.371 9.439 ( -1.694 -0.905 -1.243) 2.288 9.755 ( -1.350 0.611 2.179) 2.635 9.782 ( -0.461 0.529 1.911) 2.036 9.795 ( -0.461 -0.298 -1.215) 1.334 9.829 ( -1.166 -1.333 -2.634) 3.174 9.881 ( -0.177 -0.638 -0.411) 0.779 9.893 ( 0.514 -0.334 -0.981) 1.157 9.906 ( 0.244 -1.470 0.835) 1.708 9.925 ( 0.580 -0.856 -0.540) 1.166 10.370 ( 0.945 4.771 1.633) 5.131 10.403 ( 1.174 6.340 -1.482) 6.616 10.618 ( 0.765 -4.803 4.773) 6.814 10.704 ( 1.260 -4.681 -2.956) 5.677 10.751 ( -0.810 0.185 0.691) 1.081 10.770 ( -0.827 -0.354 1.640) 1.871 10.772 ( -0.380 0.357 -0.537) 0.748 10.832 ( -1.788 -2.350 -3.375) 4.485 11.025 ( -0.626 0.697 1.772) 2.004 11.032 ( -0.803 0.318 1.755) 1.956 11.062 ( -0.973 0.317 -1.510) 1.824 11.069 ( -0.699 0.092 -2.052) 2.170 11.245 ( -1.108 2.837 1.692) 3.484 11.275 ( -1.143 2.654 -1.219) 3.137 11.371 ( -0.597 0.933 1.129) 1.582 11.396 ( -0.705 1.199 -1.208) 1.842 11.555 ( -0.680 -2.124 0.853) 2.388 11.572 ( -0.611 -0.896 -0.797) 1.346 11.699 ( -0.727 -3.442 1.225) 3.725 11.726 ( -0.729 -3.340 -1.396) 3.693 11.844 ( -0.057 4.132 1.069) 4.268 11.854 ( 0.780 1.324 0.292) 1.564 11.870 ( 0.223 0.952 -0.164) 0.992 11.878 ( -0.203 3.450 -0.924) 3.577 11.908 ( 0.378 0.923 0.616) 1.172 11.920 ( 0.361 0.500 -0.505) 0.797 12.094 ( -0.001 -3.106 0.509) 3.148 12.106 ( -0.458 -3.615 -0.605) 3.694 ======================= Grid point 58 (25/30) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 0.898 7.564) 7.617 1.266 ( 0.000 -1.341 5.910) 6.060 1.352 ( 0.000 0.556 -5.754) 5.781 1.374 ( 0.000 -0.255 -4.131) 4.139 1.650 ( 0.000 1.067 2.151) 2.401 1.678 ( 0.000 2.515 0.196) 2.523 1.756 ( 0.000 -1.973 0.104) 1.976 1.777 ( 0.000 -1.603 -0.995) 1.886 1.781 ( -0.000 0.412 -0.201) 0.458 1.787 ( 0.000 1.556 -0.964) 1.830 1.836 ( 0.000 -2.197 1.754) 2.811 1.898 ( -0.000 -1.472 -3.446) 3.747 1.933 ( 0.000 2.435 -1.309) 2.764 1.939 ( -0.000 1.976 -1.182) 2.303 1.942 ( 0.000 -0.242 4.374) 4.380 2.013 ( 0.000 -0.270 -2.135) 2.152 2.031 ( 0.000 1.515 2.073) 2.568 2.041 ( -0.000 0.149 4.283) 4.286 2.048 ( -0.000 2.090 0.938) 2.291 2.055 ( 0.000 0.657 -1.143) 1.319 2.087 ( 0.000 -0.379 -2.329) 2.359 2.110 ( 0.000 -0.101 2.968) 2.970 2.116 ( 0.000 -1.249 -1.988) 2.348 2.191 ( 0.000 0.188 -0.536) 0.568 2.197 ( -0.049 -0.959 -1.076) 1.442 2.197 ( 0.049 3.631 -0.091) 3.632 2.208 ( -0.000 -2.604 -3.015) 3.984 2.223 ( 0.000 3.376 -1.971) 3.909 2.261 ( 0.000 -1.175 0.732) 1.384 2.294 ( 0.000 0.317 -2.014) 2.039 2.321 ( 0.000 -5.269 1.653) 5.522 2.339 ( 0.000 2.545 1.593) 3.002 2.342 ( -0.000 -4.156 -0.260) 4.164 2.374 ( 0.000 3.327 -1.655) 3.716 2.399 ( 0.000 -0.927 -0.616) 1.114 2.410 ( 0.000 -1.592 -1.533) 2.210 2.429 ( -0.000 -0.848 -0.871) 1.215 2.436 ( 0.000 -1.295 -1.639) 2.089 2.481 ( 0.000 0.654 1.822) 1.936 2.502 ( 0.000 -2.399 0.176) 2.406 2.536 ( 0.000 -2.574 0.268) 2.587 2.551 ( 0.000 -1.027 -0.176) 1.042 2.557 ( -0.000 -0.902 1.867) 2.074 2.582 ( 0.000 -0.650 0.223) 0.687 2.601 ( 0.000 -0.772 1.749) 1.912 2.629 ( -0.000 1.784 1.011) 2.051 2.649 ( 0.000 -0.390 3.600) 3.621 2.653 ( 0.000 0.208 3.725) 3.730 2.663 ( 0.000 0.122 -0.400) 0.418 2.694 ( 0.000 -3.291 -1.011) 3.443 2.698 ( -0.000 -0.016 -0.823) 0.823 2.716 ( 0.000 -0.013 -1.504) 1.504 2.748 ( 0.000 1.852 -1.969) 2.703 2.765 ( 0.000 0.724 -2.618) 2.716 2.774 ( 0.000 -0.853 2.465) 2.608 2.784 ( 0.000 -1.259 1.758) 2.162 2.852 ( -0.000 -1.399 2.371) 2.753 2.854 ( 0.000 -1.197 -2.381) 2.665 2.876 ( 0.000 -0.501 -3.942) 3.973 2.892 ( -0.000 -0.186 -2.001) 2.010 2.968 ( 0.000 3.509 1.428) 3.789 2.976 ( 0.000 2.145 1.658) 2.711 2.981 ( -0.000 2.880 0.932) 3.027 2.993 ( 0.000 2.248 0.129) 2.251 3.020 ( 0.000 5.978 -0.272) 5.985 3.022 ( -0.000 3.650 0.688) 3.714 3.070 ( 0.000 0.611 0.472) 0.772 3.090 ( 0.000 1.012 1.646) 1.932 3.100 ( 0.000 -0.086 -2.178) 2.180 3.120 ( 0.000 0.804 -0.175) 0.822 3.140 ( 0.000 0.969 -0.483) 1.082 3.149 ( -0.000 0.575 -1.794) 1.884 3.180 ( 0.000 -1.719 2.148) 2.751 3.227 ( 0.000 -1.780 -2.297) 2.906 3.343 ( 0.000 -5.257 0.852) 5.325 3.358 ( 0.000 -5.048 -0.568) 5.080 3.687 ( 0.000 2.556 5.447) 6.017 3.806 ( 0.000 -1.182 4.326) 4.485 3.825 ( 0.000 1.867 -8.347) 8.554 3.904 ( 0.000 -0.283 -4.943) 4.951 4.019 ( 0.000 3.203 0.220) 3.211 4.030 ( 0.000 3.986 -0.828) 4.071 4.205 ( 0.000 -1.394 5.070) 5.258 4.234 ( 0.000 -4.722 0.424) 4.741 4.284 ( 0.000 -2.748 4.320) 5.120 4.291 ( -0.000 -2.197 2.408) 3.260 4.372 ( 0.000 -0.725 -4.509) 4.567 4.390 ( 0.000 -0.548 -5.372) 5.400 4.496 ( 0.000 1.349 0.042) 1.350 4.500 ( 0.000 1.852 -0.447) 1.905 4.511 ( -0.000 1.641 2.130) 2.689 4.536 ( -0.000 2.261 -0.570) 2.332 4.710 ( 0.000 1.030 2.905) 3.082 4.734 ( 0.000 0.903 1.074) 1.403 4.749 ( -0.000 1.709 -0.312) 1.737 4.763 ( 0.000 -1.542 0.491) 1.618 4.784 ( 0.000 -1.610 -1.152) 1.980 4.794 ( 0.000 0.456 -2.767) 2.805 4.848 ( 0.000 -1.738 2.957) 3.430 4.872 ( 0.000 -1.403 -0.166) 1.413 4.938 ( 0.000 2.069 1.473) 2.539 5.010 ( 0.000 0.011 -5.304) 5.304 5.055 ( -0.000 -1.391 -0.300) 1.423 5.070 ( -0.000 -1.206 -1.325) 1.792 5.156 ( 0.000 0.268 2.769) 2.782 5.166 ( 0.000 0.444 2.132) 2.177 5.195 ( -0.000 -0.443 -1.182) 1.262 5.196 ( 0.000 1.011 -0.923) 1.369 5.341 ( 0.000 0.711 2.711) 2.803 5.392 ( 0.000 0.408 -2.127) 2.166 5.406 ( 0.000 -0.916 2.081) 2.273 5.449 ( 0.000 -1.572 -1.944) 2.500 6.312 ( 0.000 4.751 2.329) 5.291 6.363 ( 0.000 5.158 -2.554) 5.756 6.559 ( 0.000 -4.636 3.467) 5.789 6.642 ( 0.000 -5.396 -4.530) 7.046 6.957 ( -0.000 1.797 2.047) 2.724 6.962 ( 0.000 1.287 2.773) 3.057 7.005 ( -0.000 1.865 -2.696) 3.278 7.009 ( 0.000 1.310 -1.830) 2.250 7.096 ( 0.000 2.067 1.778) 2.726 7.123 ( 0.000 1.151 -1.050) 1.558 7.280 ( 0.000 -4.847 1.224) 5.000 7.308 ( 0.000 -4.805 -1.445) 5.017 7.394 ( 0.000 1.895 1.052) 2.167 7.413 ( 0.000 2.756 -0.798) 2.869 7.528 ( 0.000 -3.306 1.883) 3.805 7.572 ( 0.000 -3.331 -2.426) 4.121 7.632 ( 0.000 0.949 2.550) 2.721 7.692 ( 0.000 1.779 -3.262) 3.715 7.695 ( 0.000 -1.333 3.069) 3.345 7.746 ( 0.000 -0.357 -1.605) 1.644 7.831 ( -0.000 1.126 1.931) 2.235 7.838 ( 0.000 0.866 0.101) 0.872 7.856 ( 0.000 2.232 -1.145) 2.509 7.862 ( 0.000 2.467 -1.219) 2.752 7.939 ( 0.000 1.649 1.069) 1.965 7.962 ( 0.000 2.918 -1.131) 3.129 8.064 ( 0.000 -3.037 1.280) 3.296 8.093 ( -0.000 0.647 0.709) 0.959 8.096 ( 0.000 -2.430 -1.916) 3.095 8.105 ( 0.000 1.605 -0.425) 1.660 8.232 ( 0.000 -4.540 2.462) 5.164 8.273 ( 0.000 -4.348 -1.636) 4.645 8.456 ( 0.000 0.380 0.950) 1.023 8.480 ( -0.000 -0.215 -1.404) 1.420 8.481 ( 0.000 -0.475 1.239) 1.327 8.501 ( 0.000 -1.673 -0.422) 1.725 8.520 ( 0.000 1.566 0.478) 1.637 8.541 ( 0.000 1.519 -1.572) 2.186 8.561 ( 0.000 0.129 1.158) 1.165 8.588 ( 0.000 -0.239 -1.408) 1.428 8.625 ( 0.000 0.023 1.620) 1.620 8.629 ( 0.000 0.875 0.847) 1.218 8.648 ( 0.000 0.840 -1.113) 1.394 8.652 ( -0.000 -0.314 -0.924) 0.976 8.840 ( 0.000 -0.684 1.582) 1.724 8.868 ( 0.000 -1.028 -1.146) 1.540 8.870 ( 0.000 -0.756 0.190) 0.780 8.875 ( 0.000 -0.427 -0.259) 0.500 8.983 ( 0.000 3.202 2.920) 4.334 9.046 ( 0.000 3.005 -3.043) 4.277 9.101 ( 0.000 -1.924 2.232) 2.947 9.155 ( 0.000 -1.616 -2.988) 3.397 9.371 ( -0.000 0.512 1.686) 1.762 9.377 ( 0.000 0.397 1.255) 1.316 9.396 ( 0.000 0.708 -0.625) 0.945 9.402 ( -0.000 0.479 -1.266) 1.354 9.740 ( 0.000 0.305 3.122) 3.136 9.776 ( 0.000 0.506 0.961) 1.087 9.792 ( 0.000 -1.222 -0.438) 1.298 9.813 ( 0.000 -0.956 -3.932) 4.047 9.876 ( 0.000 -0.474 0.451) 0.655 9.900 ( 0.000 0.265 -1.810) 1.829 9.911 ( 0.000 -2.002 1.417) 2.452 9.933 ( 0.000 -0.945 -0.751) 1.207 10.381 ( 0.000 4.816 1.733) 5.118 10.416 ( 0.000 6.403 -1.621) 6.605 10.628 ( 0.000 -4.834 5.403) 7.250 10.717 ( 0.000 -3.590 -2.075) 4.147 10.743 ( 0.000 -0.072 0.564) 0.569 10.755 ( 0.000 -0.232 2.340) 2.352 10.783 ( 0.000 -1.694 -3.695) 4.065 10.804 ( 0.000 -0.703 -2.249) 2.356 11.018 ( 0.000 0.665 1.862) 1.977 11.023 ( 0.000 0.354 1.528) 1.568 11.051 ( 0.000 0.341 -1.192) 1.240 11.061 ( 0.000 0.042 -2.246) 2.246 11.233 ( 0.000 2.711 1.685) 3.192 11.263 ( 0.000 2.471 -1.203) 2.748 11.364 ( 0.000 0.375 1.032) 1.098 11.389 ( 0.000 0.525 -1.203) 1.312 11.548 ( 0.000 -1.691 0.936) 1.933 11.566 ( 0.000 -0.511 -0.759) 0.915 11.691 ( 0.000 -3.418 1.234) 3.633 11.719 ( 0.000 -3.335 -1.363) 3.603 11.843 ( 0.000 5.307 1.485) 5.511 11.866 ( 0.000 0.504 0.349) 0.613 11.872 ( -0.000 0.567 -0.219) 0.607 11.873 ( 0.000 4.676 -1.435) 4.891 11.913 ( 0.000 0.331 0.587) 0.674 11.923 ( 0.000 0.273 -0.444) 0.521 12.093 ( 0.000 -3.142 0.321) 3.158 12.100 ( 0.000 -3.551 -0.353) 3.569 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 -9.057 4.274) 10.015 0.998 ( 0.000 9.057 4.274) 10.015 1.055 ( 0.000 -4.191 7.485) 8.578 1.055 ( 0.000 4.191 7.485) 8.578 1.104 ( 0.000 -3.863 -4.233) 5.731 1.104 ( 0.000 3.863 -4.233) 5.731 1.257 ( 0.000 -5.641 -10.799) 12.184 1.257 ( 0.000 5.641 -10.799) 12.184 1.652 ( 0.000 -2.487 1.661) 2.990 1.652 ( 0.000 2.487 1.661) 2.990 1.666 ( 0.000 -3.108 0.515) 3.150 1.666 ( 0.000 3.108 0.515) 3.150 1.793 ( 0.000 -4.085 6.292) 7.502 1.793 ( 0.000 4.085 6.292) 7.502 1.882 ( 0.000 -3.393 -2.825) 4.416 1.882 ( 0.000 3.393 -2.825) 4.416 1.954 ( 0.000 -7.459 3.243) 8.133 1.954 ( 0.000 7.459 3.243) 8.133 1.982 ( 0.000 -6.531 2.065) 6.849 1.982 ( 0.000 6.531 2.065) 6.849 2.054 ( 0.000 -1.458 0.432) 1.520 2.054 ( 0.000 1.458 0.432) 1.520 2.077 ( 0.000 -5.512 3.758) 6.672 2.077 ( 0.000 5.512 3.758) 6.672 2.125 ( 0.000 -4.780 -1.136) 4.913 2.125 ( 0.000 4.780 -1.136) 4.913 2.224 ( 0.000 -7.305 -4.446) 8.552 2.224 ( 0.000 7.305 -4.446) 8.552 2.251 ( 0.000 -1.182 0.952) 1.517 2.251 ( 0.000 1.182 0.952) 1.517 2.279 ( 0.000 -1.928 -1.025) 2.184 2.279 ( 0.000 1.928 -1.025) 2.184 2.304 ( 0.000 -3.904 0.626) 3.954 2.304 ( 0.000 3.904 0.626) 3.954 2.388 ( 0.000 -5.172 -4.423) 6.805 2.388 ( 0.000 5.172 -4.423) 6.805 2.417 ( 0.000 -1.885 1.783) 2.595 2.417 ( 0.000 1.885 1.783) 2.595 2.444 ( 0.000 -1.229 0.486) 1.321 2.444 ( 0.000 1.229 0.486) 1.321 2.517 ( 0.000 -3.680 1.078) 3.835 2.517 ( 0.000 3.680 1.078) 3.835 2.569 ( 0.000 -6.736 -3.303) 7.502 2.569 ( 0.000 6.736 -3.303) 7.502 2.592 ( 0.000 -1.196 4.318) 4.481 2.592 ( 0.000 1.196 4.318) 4.481 2.638 ( 0.000 -0.229 -1.206) 1.227 2.638 ( 0.000 0.229 -1.206) 1.227 2.667 ( 0.000 -2.143 4.215) 4.729 2.667 ( 0.000 2.143 4.215) 4.729 2.674 ( 0.000 -1.184 -3.014) 3.238 2.674 ( 0.000 1.184 -3.014) 3.238 2.710 ( 0.000 -2.444 -3.365) 4.159 2.710 ( 0.000 2.444 -3.365) 4.159 2.754 ( 0.000 -4.670 -3.194) 5.657 2.754 ( 0.000 4.670 -3.194) 5.657 2.773 ( 0.000 -0.209 0.162) 0.265 2.773 ( 0.000 0.209 0.162) 0.265 2.815 ( 0.000 -0.999 -3.416) 3.559 2.815 ( 0.000 0.999 -3.416) 3.559 2.906 ( 0.000 -1.242 -0.668) 1.410 2.906 ( 0.000 1.242 -0.668) 1.410 2.907 ( 0.000 -1.459 -0.916) 1.723 2.907 ( 0.000 1.459 -0.916) 1.723 3.058 ( 0.000 -2.656 0.427) 2.690 3.058 ( 0.000 2.656 0.427) 2.690 3.070 ( 0.000 -1.902 -0.665) 2.015 3.070 ( 0.000 1.902 -0.665) 2.015 3.222 ( 0.000 -3.305 1.520) 3.638 3.222 ( 0.000 3.305 1.520) 3.638 3.237 ( 0.000 -1.982 0.609) 2.074 3.237 ( 0.000 1.982 0.609) 2.074 3.319 ( 0.000 -1.227 2.883) 3.133 3.319 ( 0.000 1.227 2.883) 3.133 3.353 ( 0.000 -2.163 -0.956) 2.365 3.353 ( 0.000 2.163 -0.956) 2.365 3.479 ( 0.000 -1.505 1.050) 1.835 3.479 ( 0.000 1.505 1.050) 1.835 3.500 ( 0.000 -0.727 -0.972) 1.214 3.500 ( 0.000 0.727 -0.972) 1.214 3.669 ( 0.000 -2.597 10.135) 10.462 3.669 ( 0.000 2.597 10.135) 10.462 3.846 ( 0.000 -2.442 -6.473) 6.919 3.846 ( 0.000 2.442 -6.473) 6.919 4.020 ( 0.000 -0.218 0.770) 0.800 4.020 ( 0.000 0.218 0.770) 0.800 4.057 ( 0.000 -0.066 -3.198) 3.199 4.057 ( 0.000 0.066 -3.198) 3.199 4.329 ( 0.000 -1.183 3.828) 4.007 4.329 ( 0.000 1.183 3.828) 4.007 4.391 ( 0.000 -0.214 -2.276) 2.286 4.391 ( 0.000 0.214 -2.276) 2.286 4.535 ( 0.000 -2.761 0.710) 2.851 4.535 ( 0.000 2.761 0.710) 2.851 4.564 ( 0.000 -0.814 -2.024) 2.182 4.564 ( 0.000 0.814 -2.024) 2.182 4.752 ( 0.000 -2.003 0.888) 2.191 4.752 ( 0.000 2.003 0.888) 2.191 4.766 ( 0.000 -2.691 -0.348) 2.713 4.766 ( 0.000 2.691 -0.348) 2.713 5.103 ( 0.000 -1.752 0.274) 1.773 5.103 ( 0.000 1.752 0.274) 1.773 5.110 ( 0.000 -2.145 -0.341) 2.172 5.110 ( 0.000 2.145 -0.341) 2.172 5.384 ( 0.000 -2.012 0.694) 2.128 5.384 ( 0.000 2.012 0.694) 2.128 5.405 ( 0.000 -0.956 -1.302) 1.615 5.405 ( 0.000 0.956 -1.302) 1.615 5.526 ( 0.000 -1.292 2.560) 2.867 5.526 ( 0.000 1.292 2.560) 2.867 5.573 ( 0.000 -1.554 -2.017) 2.546 5.573 ( 0.000 1.554 -2.017) 2.546 6.782 ( 0.000 -0.572 1.767) 1.857 6.782 ( 0.000 0.572 1.767) 1.857 6.829 ( 0.000 -0.725 -2.912) 3.001 6.829 ( 0.000 0.725 -2.912) 3.001 6.952 ( 0.000 -2.969 2.893) 4.146 6.952 ( 0.000 2.969 2.893) 4.146 7.003 ( 0.000 -4.175 -2.341) 4.787 7.003 ( 0.000 4.175 -2.341) 4.787 7.132 ( 0.000 -4.125 1.799) 4.500 7.132 ( 0.000 4.125 1.799) 4.500 7.168 ( 0.000 -3.916 -1.654) 4.251 7.168 ( 0.000 3.916 -1.654) 4.251 7.466 ( 0.000 -2.421 1.095) 2.657 7.466 ( 0.000 2.421 1.095) 2.657 7.485 ( 0.000 -0.350 -0.318) 0.473 7.485 ( 0.000 0.350 -0.318) 0.473 7.593 ( 0.000 -1.379 3.548) 3.806 7.593 ( 0.000 1.379 3.548) 3.806 7.692 ( 0.000 -2.449 -6.051) 6.527 7.692 ( 0.000 2.449 -6.051) 6.527 7.794 ( 0.000 -2.351 0.312) 2.372 7.794 ( 0.000 2.351 0.312) 2.372 7.807 ( 0.000 -1.089 -0.887) 1.404 7.807 ( 0.000 1.089 -0.887) 1.404 7.910 ( 0.000 -0.157 2.411) 2.417 7.910 ( 0.000 0.157 2.411) 2.417 7.926 ( 0.000 -0.046 1.231) 1.232 7.926 ( 0.000 0.046 1.231) 1.232 8.079 ( 0.000 -0.329 0.656) 0.734 8.079 ( 0.000 0.329 0.656) 0.734 8.106 ( 0.000 -1.410 -1.593) 2.128 8.106 ( 0.000 1.410 -1.593) 2.128 8.448 ( 0.000 -0.188 1.219) 1.234 8.448 ( 0.000 0.188 1.219) 1.234 8.487 ( 0.000 -0.950 -2.561) 2.731 8.487 ( 0.000 0.950 -2.561) 2.731 8.598 ( 0.000 -1.736 2.712) 3.220 8.598 ( 0.000 1.736 2.712) 3.220 8.651 ( 0.000 -3.147 -2.404) 3.960 8.651 ( 0.000 3.147 -2.404) 3.960 8.736 ( 0.000 -0.377 0.882) 0.959 8.736 ( 0.000 0.377 0.882) 0.959 8.749 ( 0.000 -0.202 -0.372) 0.424 8.749 ( 0.000 0.202 -0.372) 0.424 8.834 ( 0.000 -0.939 0.528) 1.078 8.834 ( 0.000 0.939 0.528) 1.078 8.850 ( 0.000 -0.585 -0.919) 1.090 8.850 ( 0.000 0.585 -0.919) 1.090 8.963 ( 0.000 -0.686 1.333) 1.499 8.963 ( 0.000 0.686 1.333) 1.499 8.978 ( 0.000 -1.031 -0.076) 1.034 8.978 ( 0.000 1.031 -0.076) 1.034 9.367 ( 0.000 -2.641 0.379) 2.668 9.367 ( 0.000 2.641 0.379) 2.668 9.377 ( 0.000 -2.297 -0.571) 2.366 9.377 ( 0.000 2.297 -0.571) 2.366 9.780 ( 0.000 -0.777 1.992) 2.139 9.780 ( 0.000 0.777 1.992) 2.139 9.829 ( 0.000 -0.191 -2.625) 2.632 9.829 ( 0.000 0.191 -2.625) 2.632 9.885 ( 0.000 -2.864 2.604) 3.871 9.885 ( 0.000 2.864 2.604) 3.871 9.935 ( 0.000 -2.837 -2.038) 3.493 9.935 ( 0.000 2.837 -2.038) 3.493 10.444 ( 0.000 -7.139 2.204) 7.472 10.444 ( 0.000 7.139 2.204) 7.472 10.489 ( 0.000 -8.175 -1.929) 8.399 10.489 ( 0.000 8.175 -1.929) 8.399 10.821 ( 0.000 -1.574 1.726) 2.336 10.821 ( 0.000 1.574 1.726) 2.336 10.852 ( 0.000 -3.412 -1.181) 3.610 10.852 ( 0.000 3.412 -1.181) 3.610 11.080 ( 0.000 -0.775 1.264) 1.483 11.080 ( 0.000 0.775 1.264) 1.483 11.111 ( 0.000 -0.147 -1.712) 1.719 11.111 ( 0.000 0.147 -1.712) 1.719 11.407 ( 0.000 -3.941 2.157) 4.493 11.407 ( 0.000 3.941 2.157) 4.493 11.445 ( 0.000 -4.365 -1.443) 4.597 11.445 ( 0.000 4.365 -1.443) 4.597 11.667 ( 0.000 -5.768 -0.008) 5.768 11.667 ( 0.000 5.768 -0.008) 5.768 11.677 ( 0.000 -6.467 -0.905) 6.530 11.677 ( 0.000 6.467 -0.905) 6.530 11.824 ( 0.000 -0.939 0.896) 1.298 11.824 ( 0.000 0.939 0.896) 1.298 11.846 ( 0.000 -0.715 -1.250) 1.440 11.846 ( 0.000 0.715 -1.250) 1.440 11.976 ( 0.000 -2.286 0.403) 2.322 11.976 ( 0.000 2.286 0.403) 2.322 11.981 ( 0.000 -2.675 0.090) 2.676 11.981 ( 0.000 2.675 0.090) 2.676 ======================= Grid point 65 (27/30) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.082 -9.577 7.049) 12.573 1.074 ( 4.082 9.577 7.049) 12.573 1.163 ( 7.822 -8.167 -0.568) 11.323 1.163 ( 7.822 8.167 -0.568) 11.323 1.211 ( 10.951 -4.569 2.345) 12.095 1.211 ( 10.951 4.569 2.345) 12.095 1.338 ( 7.265 -2.903 -8.927) 11.870 1.338 ( 7.265 2.903 -8.927) 11.870 1.643 ( 0.421 -4.325 1.202) 4.508 1.643 ( 0.421 4.325 1.202) 4.508 1.689 ( 1.327 -3.255 -2.134) 4.112 1.689 ( 1.327 3.255 -2.134) 4.112 1.869 ( 6.244 -4.472 3.922) 8.623 1.869 ( 6.244 4.472 3.922) 8.623 1.928 ( 1.823 -0.555 -1.614) 2.498 1.928 ( 1.823 0.555 -1.614) 2.498 1.973 ( 0.821 -0.305 -0.029) 0.876 1.973 ( 0.821 0.305 -0.029) 0.876 2.015 ( 3.641 -1.662 -3.203) 5.126 2.015 ( 3.641 1.662 -3.203) 5.126 2.083 ( 2.363 -2.066 2.458) 3.987 2.083 ( 2.363 2.066 2.458) 3.987 2.128 ( 4.355 -4.234 1.448) 6.244 2.128 ( 4.355 4.234 1.448) 6.244 2.178 ( 4.868 -7.910 4.945) 10.523 2.178 ( 4.868 7.910 4.945) 10.523 2.213 ( -0.920 -2.563 0.950) 2.884 2.213 ( -0.920 2.563 0.950) 2.884 2.264 ( 0.367 -0.507 -0.253) 0.675 2.264 ( 0.367 0.507 -0.253) 0.675 2.300 ( 2.108 -1.862 -0.737) 2.907 2.300 ( 2.108 1.862 -0.737) 2.907 2.333 ( 2.330 -3.657 -0.677) 4.389 2.333 ( 2.330 3.657 -0.677) 4.389 2.384 ( -0.075 -3.559 -2.778) 4.516 2.384 ( -0.075 3.559 -2.778) 4.516 2.429 ( 0.924 -0.715 2.072) 2.378 2.429 ( 0.924 0.715 2.072) 2.378 2.457 ( 1.733 -1.164 -0.009) 2.087 2.457 ( 1.733 1.164 -0.009) 2.087 2.511 ( -0.353 -4.405 1.163) 4.569 2.511 ( -0.353 4.405 1.163) 4.569 2.537 ( -2.571 -3.864 -0.287) 4.650 2.537 ( -2.571 3.864 -0.287) 4.650 2.593 ( 1.285 -1.616 0.634) 2.160 2.593 ( 1.285 1.616 0.634) 2.160 2.623 ( -1.009 -2.352 -1.302) 2.871 2.623 ( -1.009 2.352 -1.302) 2.871 2.669 ( 0.935 -1.052 1.762) 2.256 2.669 ( 0.935 1.052 1.762) 2.256 2.688 ( 0.651 -0.705 0.590) 1.127 2.688 ( 0.651 0.705 0.590) 1.127 2.735 ( 1.761 -1.251 -0.456) 2.207 2.735 ( 1.761 1.251 -0.456) 2.207 2.774 ( 1.218 -0.621 -1.777) 2.242 2.774 ( 1.218 0.621 -1.777) 2.242 2.819 ( 4.011 -3.496 -1.721) 5.592 2.819 ( 4.011 3.496 -1.721) 5.592 2.851 ( 3.636 -4.069 -3.182) 6.317 2.851 ( 3.636 4.069 -3.182) 6.317 2.882 ( -1.648 -0.768 -0.299) 1.843 2.882 ( -1.648 0.768 -0.299) 1.843 2.897 ( 0.072 -0.065 -2.834) 2.836 2.897 ( 0.072 0.065 -2.834) 2.836 3.059 ( 0.683 -1.874 -0.224) 2.007 3.059 ( 0.683 1.874 -0.224) 2.007 3.069 ( 0.123 -1.178 -0.635) 1.344 3.069 ( 0.123 1.178 -0.635) 1.344 3.207 ( -1.537 -2.258 2.037) 3.408 3.207 ( -1.537 2.258 2.037) 3.408 3.237 ( -0.574 -1.137 -0.553) 1.389 3.237 ( -0.574 1.137 -0.553) 1.389 3.264 ( -4.615 -3.457 0.579) 5.795 3.264 ( -4.615 3.457 0.579) 5.795 3.281 ( -5.291 -2.460 -1.019) 5.923 3.281 ( -5.291 2.460 -1.019) 5.923 3.443 ( -2.890 -1.502 0.583) 3.309 3.443 ( -2.890 1.502 0.583) 3.309 3.458 ( -3.467 -1.224 -0.800) 3.763 3.458 ( -3.467 1.224 -0.800) 3.763 3.731 ( 5.823 -2.470 10.981) 12.672 3.731 ( 5.823 2.470 10.981) 12.672 3.895 ( 4.121 -2.399 -4.657) 6.666 3.895 ( 4.121 2.399 -4.657) 6.666 4.040 ( 1.893 -0.277 -0.118) 1.917 4.040 ( 1.893 0.277 -0.118) 1.917 4.069 ( 1.286 -0.579 -3.312) 3.600 4.069 ( 1.286 0.579 -3.312) 3.600 4.357 ( 2.591 -1.863 2.729) 4.199 4.357 ( 2.591 1.863 2.729) 4.199 4.401 ( 1.387 -1.318 -1.659) 2.533 4.401 ( 1.387 1.318 -1.659) 2.533 4.592 ( 4.787 -2.875 2.051) 5.949 4.592 ( 4.787 2.875 2.051) 5.949 4.642 ( 6.338 -1.181 -2.651) 6.971 4.642 ( 6.338 1.181 -2.651) 6.971 4.782 ( 2.395 -1.904 0.324) 3.076 4.782 ( 2.395 1.904 0.324) 3.076 4.788 ( 2.124 -1.939 -0.104) 2.878 4.788 ( 2.124 1.939 -0.104) 2.878 5.106 ( 0.235 -1.766 0.523) 1.857 5.106 ( 0.235 1.766 0.523) 1.857 5.116 ( 0.644 -1.260 -0.371) 1.463 5.116 ( 0.644 1.260 -0.371) 1.463 5.363 ( -2.037 -1.435 0.662) 2.578 5.363 ( -2.037 1.435 0.662) 2.578 5.383 ( -1.934 -0.466 -1.365) 2.413 5.383 ( -1.934 0.466 -1.365) 2.413 5.480 ( -4.201 -1.415 2.555) 5.117 5.480 ( -4.201 1.415 2.555) 5.117 5.526 ( -4.357 -1.560 -1.916) 5.009 5.526 ( -4.357 1.560 -1.916) 5.009 6.723 ( -5.138 -2.605 2.037) 6.110 6.723 ( -5.138 2.605 2.037) 6.110 6.775 ( -4.788 -2.953 -3.164) 6.454 6.775 ( -4.788 2.953 -3.164) 6.454 6.955 ( 0.371 -3.002 2.922) 4.206 6.955 ( 0.371 3.002 2.922) 4.206 7.009 ( 0.370 -3.587 -2.469) 4.370 7.009 ( 0.370 3.587 -2.469) 4.370 7.140 ( 0.646 -3.647 1.692) 4.072 7.140 ( 0.646 3.647 1.692) 4.072 7.171 ( 0.265 -3.214 -1.338) 3.491 7.171 ( 0.265 3.214 -1.338) 3.491 7.466 ( -0.133 -2.533 1.066) 2.751 7.466 ( -0.133 2.533 1.066) 2.751 7.488 ( 0.197 -1.386 -0.933) 1.682 7.488 ( 0.197 1.386 -0.933) 1.682 7.582 ( -0.454 -0.766 4.385) 4.475 7.582 ( -0.454 0.766 4.385) 4.475 7.688 ( -0.086 -1.553 -6.044) 6.241 7.688 ( -0.086 1.553 -6.044) 6.241 7.817 ( 1.945 -1.356 0.431) 2.410 7.817 ( 1.945 1.356 0.431) 2.410 7.830 ( 1.936 -0.260 -0.575) 2.036 7.830 ( 1.936 0.260 -0.575) 2.036 7.921 ( 0.601 -1.179 2.341) 2.689 7.921 ( 0.601 1.179 2.341) 2.689 7.944 ( 1.581 -0.313 0.674) 1.747 7.944 ( 1.581 0.313 0.674) 1.747 8.096 ( 0.547 -0.516 -0.124) 0.762 8.096 ( 0.547 0.516 -0.124) 0.762 8.107 ( 1.129 -1.209 -0.749) 1.816 8.107 ( 1.129 1.209 -0.749) 1.816 8.454 ( 0.469 -0.121 0.779) 0.917 8.454 ( 0.469 0.121 0.779) 0.917 8.484 ( -0.156 -0.329 -2.176) 2.206 8.484 ( -0.156 0.329 -2.176) 2.206 8.588 ( -0.616 -0.946 2.952) 3.160 8.588 ( -0.616 0.946 2.952) 3.160 8.641 ( -1.343 -1.068 -2.357) 2.915 8.641 ( -1.343 1.068 -2.357) 2.915 8.711 ( -1.558 -0.953 0.942) 2.055 8.711 ( -1.558 0.953 0.942) 2.055 8.724 ( -2.120 -0.164 -0.375) 2.159 8.724 ( -2.120 0.164 -0.375) 2.159 8.859 ( 1.388 -0.811 0.334) 1.641 8.859 ( 1.388 0.811 0.334) 1.641 8.872 ( 1.299 -0.351 -0.946) 1.645 8.872 ( 1.299 0.351 -0.946) 1.645 8.968 ( 0.674 -1.441 1.332) 2.075 8.968 ( 0.674 1.441 1.332) 2.075 8.987 ( 1.228 -1.633 -0.525) 2.110 8.987 ( 1.228 1.633 -0.525) 2.110 9.379 ( 0.901 -2.473 0.065) 2.632 9.379 ( 0.901 2.473 0.065) 2.632 9.382 ( 0.384 -1.861 -0.195) 1.910 9.382 ( 0.384 1.861 -0.195) 1.910 9.787 ( 0.560 -1.010 1.909) 2.231 9.787 ( 0.560 1.010 1.909) 2.231 9.834 ( 0.318 -0.272 -2.603) 2.636 9.834 ( 0.318 0.272 -2.603) 2.636 9.880 ( -0.499 -2.559 2.205) 3.415 9.880 ( -0.499 2.559 2.205) 3.415 9.922 ( -1.099 -2.605 -1.672) 3.285 9.922 ( -1.099 2.605 -1.672) 3.285 10.451 ( 0.662 -6.953 2.460) 7.405 10.451 ( 0.662 6.953 2.460) 7.405 10.500 ( 1.043 -8.021 -2.093) 8.354 10.500 ( 1.043 8.021 -2.093) 8.354 10.810 ( -1.021 -1.216 1.545) 2.215 10.810 ( -1.021 1.216 1.545) 2.215 10.839 ( -1.066 -2.960 -1.259) 3.389 10.839 ( -1.066 2.960 -1.259) 3.389 11.072 ( -0.682 -0.517 1.420) 1.658 11.072 ( -0.682 0.517 1.420) 1.658 11.105 ( -0.561 -0.217 -1.703) 1.806 11.105 ( -0.561 0.217 -1.703) 1.806 11.391 ( -1.437 -3.858 1.984) 4.570 11.391 ( -1.437 3.858 1.984) 4.570 11.428 ( -1.586 -4.164 -1.503) 4.702 11.428 ( -1.586 4.164 -1.503) 4.702 11.650 ( -1.407 -5.807 0.451) 5.992 11.650 ( -1.407 5.807 0.451) 5.992 11.667 ( -0.865 -6.009 -1.098) 6.169 11.667 ( -0.865 6.009 -1.098) 6.169 11.829 ( 0.591 -1.128 1.117) 1.694 11.829 ( 0.591 1.128 1.117) 1.694 11.851 ( 0.594 -1.343 -1.010) 1.783 11.851 ( 0.594 1.343 -1.010) 1.783 11.990 ( 0.891 -3.885 0.402) 4.006 11.990 ( 0.891 3.885 0.402) 4.006 11.998 ( 1.175 -4.001 -0.356) 4.185 11.998 ( 1.175 4.001 -0.356) 4.185 ======================= Grid point 67 (28/30) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 3.656 -6.371 8.740) 11.417 1.157 ( 3.656 6.371 8.740) 11.417 1.296 ( 4.862 -3.773 -3.694) 7.178 1.296 ( 4.862 3.773 -3.694) 7.178 1.458 ( 11.245 -9.218 3.054) 14.858 1.458 ( 11.245 9.218 3.054) 14.858 1.512 ( 8.511 -1.787 -2.954) 9.185 1.512 ( 8.511 1.787 -2.954) 9.185 1.687 ( 3.606 -5.650 -1.766) 6.932 1.687 ( 3.606 5.650 -1.766) 6.932 1.726 ( 2.470 -3.856 -3.874) 5.998 1.726 ( 2.470 3.856 -3.874) 5.998 1.945 ( 1.502 -2.884 0.151) 3.255 1.945 ( 1.502 2.884 0.151) 3.255 1.973 ( 2.320 -1.834 -2.105) 3.630 1.973 ( 2.320 1.834 -2.105) 3.630 2.012 ( 2.183 -0.658 0.838) 2.429 2.012 ( 2.183 0.658 0.838) 2.429 2.054 ( 0.482 -0.920 -2.717) 2.909 2.054 ( 0.482 0.920 -2.717) 2.909 2.124 ( 0.691 -2.182 4.479) 5.030 2.124 ( 0.691 2.182 4.479) 5.030 2.174 ( -0.734 -1.221 1.882) 2.360 2.174 ( -0.734 1.221 1.882) 2.360 2.206 ( -1.070 -1.785 0.906) 2.270 2.206 ( -1.070 1.785 0.906) 2.270 2.226 ( 1.568 -0.696 -0.440) 1.771 2.226 ( 1.568 0.696 -0.440) 1.771 2.279 ( 0.850 -2.253 1.152) 2.669 2.279 ( 0.850 2.253 1.152) 2.669 2.319 ( -0.699 -0.415 -1.813) 1.987 2.319 ( -0.699 0.415 -1.813) 1.987 2.346 ( -1.273 -1.791 1.361) 2.585 2.346 ( -1.273 1.791 1.361) 2.585 2.395 ( 0.171 -4.560 -2.348) 5.132 2.395 ( 0.171 4.560 -2.348) 5.132 2.459 ( 1.137 -0.545 1.436) 1.912 2.459 ( 1.137 0.545 1.436) 1.912 2.493 ( 0.298 -1.636 -1.121) 2.005 2.493 ( 0.298 1.636 -1.121) 2.005 2.510 ( 0.721 -1.358 1.421) 2.093 2.510 ( 0.721 1.358 1.421) 2.093 2.531 ( 1.725 -2.752 -0.366) 3.269 2.531 ( 1.725 2.752 -0.366) 3.269 2.601 ( 0.542 -1.276 0.850) 1.627 2.601 ( 0.542 1.276 0.850) 1.627 2.631 ( 0.278 -2.307 -1.503) 2.768 2.631 ( 0.278 2.307 -1.503) 2.768 2.695 ( 0.527 -1.588 1.478) 2.232 2.695 ( 0.527 1.588 1.478) 2.232 2.727 ( 1.865 -0.619 0.001) 1.965 2.727 ( 1.865 0.619 0.001) 1.965 2.763 ( 0.477 -1.732 2.263) 2.889 2.763 ( 0.477 1.732 2.263) 2.889 2.817 ( 0.990 -2.156 -1.917) 3.050 2.817 ( 0.990 2.156 -1.917) 3.050 2.845 ( -0.268 -0.627 0.058) 0.684 2.845 ( -0.268 0.627 0.058) 0.684 2.866 ( 0.641 -0.482 -1.203) 1.446 2.866 ( 0.641 0.482 -1.203) 1.446 2.952 ( 7.946 -4.480 2.614) 9.490 2.952 ( 7.946 4.480 2.614) 9.490 3.010 ( 7.350 -5.508 -1.588) 9.321 3.010 ( 7.350 5.508 -1.588) 9.321 3.078 ( 0.552 -0.292 0.916) 1.109 3.078 ( 0.552 0.292 0.916) 1.109 3.088 ( 0.065 -1.069 -0.531) 1.195 3.088 ( 0.065 1.069 -0.531) 1.195 3.133 ( -2.315 -2.377 0.725) 3.397 3.133 ( -2.315 2.377 0.725) 3.397 3.151 ( -3.616 -1.194 -1.307) 4.026 3.151 ( -3.616 1.194 -1.307) 4.026 3.214 ( -1.874 -0.697 0.740) 2.132 3.214 ( -1.874 0.697 0.740) 2.132 3.253 ( 0.173 -0.860 -2.881) 3.011 3.253 ( 0.173 0.860 -2.881) 3.011 3.373 ( 0.006 -3.397 3.560) 4.921 3.373 ( 0.006 3.397 3.560) 4.921 3.474 ( 7.405 -6.580 -7.507) 12.429 3.474 ( 7.405 6.580 -7.507) 12.429 3.888 ( 8.546 -1.391 9.685) 12.991 3.888 ( 8.546 1.391 9.685) 12.991 3.986 ( 4.407 -3.040 -0.543) 5.382 3.986 ( 4.407 3.040 -0.543) 5.382 4.083 ( 2.302 -2.470 -0.227) 3.385 4.083 ( 2.302 2.470 -0.227) 3.385 4.135 ( 5.294 -2.189 -5.140) 7.697 4.135 ( 5.294 2.189 -5.140) 7.697 4.422 ( 3.262 -1.838 1.660) 4.096 4.422 ( 3.262 1.838 1.660) 4.096 4.450 ( 3.068 -2.327 -1.089) 4.001 4.450 ( 3.068 2.327 -1.089) 4.001 4.693 ( 4.164 -2.305 3.294) 5.788 4.693 ( 4.164 2.305 3.294) 5.788 4.765 ( 3.628 -1.518 -3.460) 5.238 4.765 ( 3.628 1.518 -3.460) 5.238 4.826 ( 2.847 -1.281 1.233) 3.357 4.826 ( 2.847 1.281 1.233) 3.357 4.856 ( 3.779 -0.894 -1.544) 4.180 4.856 ( 3.779 0.894 -1.544) 4.180 5.115 ( 0.376 -1.428 1.462) 2.078 5.115 ( 0.376 1.428 1.462) 2.078 5.133 ( 0.724 -0.973 -0.249) 1.238 5.133 ( 0.724 0.973 -0.249) 1.238 5.280 ( -6.758 -2.041 0.487) 7.076 5.280 ( -6.758 2.041 0.487) 7.076 5.295 ( -7.760 -2.588 -0.860) 8.225 5.295 ( -7.760 2.588 -0.860) 8.225 5.404 ( -1.492 -0.769 1.084) 1.998 5.404 ( -1.492 0.769 1.084) 1.998 5.428 ( -3.678 -0.736 -1.192) 3.936 5.428 ( -3.678 0.736 -1.192) 3.936 6.598 ( -6.403 -4.636 2.428) 8.270 6.598 ( -6.403 4.636 2.428) 8.270 6.656 ( -6.140 -5.360 -3.221) 8.764 6.656 ( -6.140 5.360 -3.221) 8.764 6.965 ( 0.541 -2.642 2.580) 3.732 6.965 ( 0.541 2.642 2.580) 3.732 7.016 ( 0.334 -2.932 -2.431) 3.823 7.016 ( 0.334 2.932 -2.431) 3.823 7.155 ( 0.750 -3.435 1.390) 3.780 7.155 ( 0.750 3.435 1.390) 3.780 7.178 ( 0.416 -2.825 -0.906) 2.996 7.178 ( 0.416 2.825 -0.906) 2.996 7.461 ( -0.311 -2.899 1.220) 3.161 7.461 ( -0.311 2.899 1.220) 3.161 7.489 ( -0.055 -3.041 -1.580) 3.427 7.489 ( -0.055 3.041 -1.580) 3.427 7.594 ( 1.640 -0.177 4.625) 4.910 7.594 ( 1.640 0.177 4.625) 4.910 7.697 ( 0.917 -0.362 -5.582) 5.668 7.697 ( 0.917 0.362 -5.582) 5.668 7.853 ( 0.693 -0.850 1.449) 1.817 7.853 ( 0.693 0.850 1.449) 1.817 7.867 ( 1.676 -1.044 0.220) 1.986 7.867 ( 1.676 1.044 0.220) 1.986 7.945 ( 1.938 -2.880 0.622) 3.527 7.945 ( 1.938 2.880 0.622) 3.527 7.973 ( 1.237 -2.126 -1.476) 2.868 7.973 ( 1.237 2.126 -1.476) 2.868 8.104 ( 0.790 -1.204 2.394) 2.793 8.104 ( 0.790 1.204 2.394) 2.793 8.145 ( 1.747 -2.216 -1.507) 3.199 8.145 ( 1.747 2.216 -1.507) 3.199 8.461 ( 0.280 -0.809 0.877) 1.225 8.461 ( 0.280 0.809 0.877) 1.225 8.489 ( 0.523 -0.608 -1.943) 2.102 8.489 ( 0.523 0.608 -1.943) 2.102 8.576 ( -0.709 -0.557 1.794) 2.008 8.576 ( -0.709 0.557 1.794) 2.008 8.598 ( -2.191 -0.853 -0.504) 2.405 8.598 ( -2.191 0.853 -0.504) 2.405 8.673 ( -2.174 -0.768 0.317) 2.328 8.673 ( -2.174 0.768 0.317) 2.328 8.686 ( -1.387 -2.024 -0.830) 2.591 8.686 ( -1.387 2.024 -0.830) 2.591 8.867 ( -0.435 -0.081 0.617) 0.759 8.867 ( -0.435 0.081 0.617) 0.759 8.881 ( -0.347 -0.127 -0.695) 0.787 8.881 ( -0.347 0.127 -0.695) 0.787 8.998 ( 2.019 -2.312 1.720) 3.519 8.998 ( 2.019 2.312 1.720) 3.519 9.034 ( 2.954 -2.275 -1.691) 4.094 9.034 ( 2.954 2.275 -1.691) 4.094 9.385 ( 0.039 -2.408 0.666) 2.499 9.385 ( 0.039 2.408 0.666) 2.499 9.399 ( 0.767 -3.138 -0.603) 3.287 9.399 ( 0.767 3.138 -0.603) 3.287 9.797 ( 0.250 -1.299 1.253) 1.822 9.797 ( 0.250 1.299 1.253) 1.822 9.823 ( -1.608 -0.495 -0.580) 1.780 9.823 ( -1.608 0.495 -0.580) 1.780 9.877 ( 0.305 -1.295 0.164) 1.341 9.877 ( 0.305 1.295 0.164) 1.341 9.900 ( -0.709 -1.643 -1.174) 2.141 9.900 ( -0.709 1.643 -1.174) 2.141 10.471 ( 1.164 -6.606 2.962) 7.333 10.471 ( 1.164 6.606 2.962) 7.333 10.529 ( 1.651 -7.813 -2.476) 8.360 10.529 ( 1.651 7.813 -2.476) 8.360 10.784 ( -1.372 -0.728 1.419) 2.103 10.784 ( -1.372 0.728 1.419) 2.103 10.815 ( -1.202 -2.160 -1.464) 2.873 10.815 ( -1.202 2.160 -1.464) 2.873 11.054 ( -0.987 -0.275 1.572) 1.876 11.054 ( -0.987 0.275 1.572) 1.876 11.088 ( -1.009 -0.043 -1.670) 1.951 11.088 ( -1.009 0.043 -1.670) 1.951 11.356 ( -1.784 -3.968 1.609) 4.639 11.356 ( -1.784 3.968 1.609) 4.639 11.387 ( -2.079 -4.078 -1.396) 4.785 11.387 ( -2.079 4.078 -1.396) 4.785 11.621 ( -1.203 -5.372 1.082) 5.611 11.621 ( -1.203 5.372 1.082) 5.611 11.647 ( -0.918 -5.401 -1.362) 5.645 11.647 ( -0.918 5.401 -1.362) 5.645 11.848 ( 1.165 -1.004 1.030) 1.851 11.848 ( 1.165 1.004 1.030) 1.851 11.868 ( 0.901 -1.082 -0.804) 1.622 11.868 ( 0.901 1.082 -0.804) 1.622 12.003 ( 0.301 -4.830 0.321) 4.850 12.003 ( 0.301 4.830 0.321) 4.850 12.011 ( 0.006 -5.345 -0.386) 5.359 12.011 ( 0.006 5.345 -0.386) 5.359 ======================= Grid point 69 (29/30) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 1.926 -2.894 7.772) 8.514 1.216 ( 1.926 2.894 7.772) 8.514 1.356 ( 1.196 -2.037 -5.261) 5.767 1.356 ( 1.196 2.037 -5.261) 5.767 1.641 ( 5.610 -1.217 1.595) 5.958 1.641 ( 5.610 1.217 1.595) 5.958 1.670 ( 6.670 -3.139 0.091) 7.372 1.670 ( 6.670 3.139 0.091) 7.372 1.754 ( 2.931 -1.116 -0.165) 3.140 1.754 ( 2.931 1.116 -0.165) 3.140 1.807 ( 4.366 -2.073 -3.321) 5.864 1.807 ( 4.366 2.073 -3.321) 5.864 1.960 ( -1.053 -2.148 0.292) 2.410 1.960 ( -1.053 2.148 0.292) 2.410 1.983 ( -1.244 -1.831 -0.266) 2.229 1.983 ( -1.244 1.831 -0.266) 2.229 2.034 ( 1.743 -1.849 -0.090) 2.542 2.034 ( 1.743 1.849 -0.090) 2.542 2.070 ( 0.445 -1.224 -1.956) 2.350 2.070 ( 0.445 1.224 -1.956) 2.350 2.104 ( -1.467 -1.326 2.662) 3.316 2.104 ( -1.467 1.326 2.662) 3.316 2.149 ( -1.806 -2.353 -0.541) 3.015 2.149 ( -1.806 2.353 -0.541) 3.015 2.194 ( 0.833 -0.931 1.392) 1.871 2.194 ( 0.833 0.931 1.392) 1.871 2.243 ( -0.560 -0.179 -1.800) 1.894 2.243 ( -0.560 0.179 -1.800) 1.894 2.281 ( -0.665 -2.198 -0.113) 2.299 2.281 ( -0.665 2.198 -0.113) 2.299 2.298 ( 0.971 -2.745 -1.226) 3.159 2.298 ( 0.971 2.745 -1.226) 3.159 2.351 ( 1.449 -0.911 2.078) 2.692 2.351 ( 1.449 0.911 2.078) 2.692 2.391 ( -0.398 -0.617 -1.566) 1.730 2.391 ( -0.398 0.617 -1.566) 1.730 2.464 ( -0.922 -0.232 0.978) 1.364 2.464 ( -0.922 0.232 0.978) 1.364 2.480 ( -1.966 -2.306 -0.396) 3.056 2.480 ( -1.966 2.306 -0.396) 3.056 2.526 ( 0.658 -2.639 1.150) 2.953 2.526 ( 0.658 2.639 1.150) 2.953 2.553 ( 0.964 -2.341 -0.861) 2.674 2.553 ( 0.964 2.341 -0.861) 2.674 2.618 ( 0.567 -0.809 0.843) 1.298 2.618 ( 0.567 0.809 0.843) 1.298 2.629 ( -0.180 -0.386 0.853) 0.954 2.629 ( -0.180 0.386 0.853) 0.954 2.686 ( -1.949 -1.932 1.442) 3.100 2.686 ( -1.949 1.932 1.442) 3.100 2.717 ( -0.729 -0.120 -1.374) 1.560 2.717 ( -0.729 0.120 -1.374) 1.560 2.758 ( -0.431 -1.800 0.917) 2.066 2.758 ( -0.431 1.800 0.917) 2.066 2.809 ( -0.327 -1.524 -1.870) 2.434 2.809 ( -0.327 1.524 -1.870) 2.434 2.842 ( -1.070 -1.427 0.822) 1.964 2.842 ( -1.070 1.427 0.822) 1.964 2.880 ( -0.090 -1.410 -1.999) 2.448 2.880 ( -0.090 1.410 -1.999) 2.448 3.009 ( -0.653 -1.422 2.168) 2.674 3.009 ( -0.653 1.422 2.168) 2.674 3.039 ( -1.154 -1.490 0.407) 1.928 3.039 ( -1.154 1.490 0.407) 1.928 3.065 ( 1.150 -2.168 1.141) 2.707 3.065 ( 1.150 2.168 1.141) 2.707 3.099 ( -0.892 -0.981 -0.912) 1.609 3.099 ( -0.892 0.981 -0.912) 1.609 3.145 ( -1.433 -0.797 -0.405) 1.689 3.145 ( -1.433 0.797 -0.405) 1.689 3.158 ( 2.262 -3.064 -1.872) 4.244 3.158 ( 2.262 3.064 -1.872) 4.244 3.203 ( 0.880 -2.989 0.956) 3.259 3.203 ( 0.880 2.989 0.956) 3.259 3.224 ( -0.760 -1.026 -0.689) 1.451 3.224 ( -0.760 1.026 -0.689) 1.451 3.586 ( 14.993 -6.810 5.593) 17.392 3.586 ( 14.993 6.810 5.593) 17.392 3.727 ( 12.902 -5.405 -8.502) 16.370 3.727 ( 12.902 5.405 -8.502) 16.370 4.046 ( 6.231 -1.763 3.320) 7.277 4.046 ( 6.231 1.763 3.320) 7.277 4.077 ( 4.216 -3.293 0.328) 5.360 4.077 ( 4.216 3.293 0.328) 5.360 4.161 ( 5.739 -3.070 4.010) 7.645 4.161 ( 5.739 3.070 4.010) 7.645 4.267 ( 7.090 -1.892 -5.271) 9.035 4.267 ( 7.090 1.892 -5.271) 9.035 4.480 ( 2.362 -1.504 1.774) 3.315 4.480 ( 2.362 1.504 1.774) 3.315 4.512 ( 2.565 -2.276 -1.320) 3.674 4.512 ( 2.565 2.276 -1.320) 3.674 4.746 ( 1.132 -1.210 2.022) 2.615 4.746 ( 1.132 1.210 2.022) 2.615 4.777 ( -1.035 -0.731 -0.622) 1.412 4.777 ( -1.035 0.731 -0.622) 1.412 4.868 ( -1.336 -2.827 0.941) 3.266 4.868 ( -1.336 2.827 0.941) 3.266 4.916 ( -0.591 -2.109 -3.447) 4.085 4.916 ( -0.591 2.109 -3.447) 4.085 5.036 ( -7.477 -3.899 2.884) 8.913 5.036 ( -7.477 3.899 2.884) 8.913 5.089 ( -6.303 -3.343 -2.479) 7.553 5.089 ( -6.303 3.343 -2.479) 7.553 5.168 ( -0.700 -0.110 1.600) 1.750 5.168 ( -0.700 0.110 1.600) 1.750 5.185 ( 0.143 -0.717 -0.168) 0.751 5.185 ( 0.143 0.717 -0.168) 0.751 5.383 ( -0.906 -1.408 0.818) 1.864 5.383 ( -0.906 1.408 0.818) 1.864 5.404 ( 0.529 -1.590 -1.154) 2.035 5.404 ( 0.529 1.590 -1.154) 2.035 6.482 ( -4.274 -5.950 2.737) 7.821 6.482 ( -4.274 5.950 2.737) 7.821 6.546 ( -4.112 -6.768 -3.275) 8.570 6.546 ( -4.112 6.768 -3.275) 8.570 6.976 ( 0.458 -1.604 2.278) 2.824 6.976 ( 0.458 1.604 2.278) 2.824 7.023 ( 0.267 -1.721 -2.235) 2.834 7.023 ( 0.267 1.721 -2.235) 2.834 7.168 ( 0.451 -4.233 1.091) 4.395 7.168 ( 0.451 4.233 1.091) 4.395 7.186 ( 0.303 -4.556 -0.710) 4.621 7.186 ( 0.303 4.556 -0.710) 4.621 7.455 ( -0.200 -3.345 1.509) 3.675 7.455 ( -0.200 3.345 1.509) 3.675 7.488 ( -0.026 -3.862 -1.709) 4.224 7.488 ( -0.026 3.862 -1.709) 4.224 7.637 ( 2.067 -0.975 3.628) 4.288 7.637 ( 2.067 0.975 3.628) 4.288 7.718 ( 0.944 -0.917 -4.396) 4.589 7.718 ( 0.944 0.917 -4.396) 4.589 7.852 ( -0.329 -0.809 2.443) 2.594 7.852 ( -0.329 0.809 2.443) 2.594 7.890 ( 0.417 -1.044 -1.322) 1.736 7.890 ( 0.417 1.044 -1.322) 1.736 7.978 ( 1.017 -2.692 0.848) 3.000 7.978 ( 1.017 2.692 0.848) 3.000 8.009 ( 2.022 -2.543 -2.185) 3.916 8.009 ( 2.022 2.543 -2.185) 3.916 8.124 ( 0.937 -2.804 2.973) 4.192 8.124 ( 0.937 2.804 2.973) 4.192 8.169 ( 0.540 -3.323 -1.597) 3.726 8.169 ( 0.540 3.323 -1.597) 3.726 8.470 ( 0.397 -0.648 0.751) 1.069 8.470 ( 0.397 0.648 0.751) 1.069 8.486 ( -0.837 -0.930 -0.522) 1.355 8.486 ( -0.837 0.930 -0.522) 1.355 8.559 ( -0.808 -1.129 0.394) 1.443 8.559 ( -0.808 1.129 0.394) 1.443 8.573 ( -0.128 -1.306 -0.767) 1.520 8.573 ( -0.128 1.306 -0.767) 1.520 8.640 ( -0.936 -0.743 0.862) 1.474 8.640 ( -0.936 0.743 0.862) 1.474 8.659 ( -0.950 -1.010 -0.975) 1.695 8.659 ( -0.950 1.010 -0.975) 1.695 8.854 ( -0.545 -0.747 0.783) 1.212 8.854 ( -0.545 0.747 0.783) 1.212 8.870 ( -0.502 -0.245 -0.674) 0.876 8.870 ( -0.502 0.245 -0.674) 0.876 9.035 ( 1.331 -2.716 2.372) 3.844 9.035 ( 1.331 2.716 2.372) 3.844 9.088 ( 1.960 -2.585 -2.675) 4.204 9.088 ( 1.960 2.585 -2.675) 4.204 9.383 ( -0.211 -1.599 1.389) 2.129 9.383 ( -0.211 1.599 1.389) 2.129 9.407 ( 0.087 -1.988 -0.957) 2.208 9.407 ( 0.087 1.988 -0.957) 2.208 9.777 ( -1.668 -1.213 1.063) 2.320 9.777 ( -1.668 1.213 1.063) 2.320 9.800 ( -0.541 -0.923 -0.804) 1.338 9.800 ( -0.541 0.923 -0.804) 1.338 9.877 ( -0.046 -0.487 0.697) 0.851 9.877 ( -0.046 0.487 0.697) 0.851 9.904 ( 0.677 -0.833 -1.485) 1.832 9.904 ( 0.677 0.833 -1.485) 1.832 10.494 ( 0.940 -6.371 3.434) 7.299 10.494 ( 0.940 6.371 3.434) 7.299 10.561 ( 1.307 -7.853 -2.887) 8.468 10.561 ( 1.307 7.853 -2.887) 8.468 10.759 ( -0.956 -0.490 1.567) 1.900 10.759 ( -0.956 0.490 1.567) 1.900 10.794 ( -0.751 -1.408 -1.728) 2.352 10.794 ( -0.751 1.408 -1.728) 2.352 11.036 ( -0.730 -0.157 1.522) 1.695 11.036 ( -0.730 0.157 1.522) 1.695 11.068 ( -0.859 -0.206 -1.526) 1.764 11.068 ( -0.859 0.206 -1.526) 1.764 11.324 ( -1.176 -4.114 1.288) 4.469 11.324 ( -1.176 4.114 1.288) 4.469 11.350 ( -1.354 -4.072 -1.218) 4.460 11.350 ( -1.354 4.072 -1.218) 4.460 11.603 ( -0.529 -4.898 1.300) 5.095 11.603 ( -0.529 4.898 1.300) 5.095 11.632 ( -0.512 -4.939 -1.403) 5.160 11.632 ( -0.512 4.939 -1.403) 5.160 11.870 ( 0.839 -0.718 0.703) 1.309 11.870 ( 0.839 0.718 0.703) 1.309 11.883 ( 0.502 -0.869 -0.488) 1.116 11.883 ( 0.502 0.869 -0.488) 1.116 12.004 ( -0.147 -4.942 0.011) 4.944 12.004 ( -0.147 4.942 0.011) 4.944 12.005 ( -0.401 -5.320 -0.070) 5.335 12.005 ( -0.401 5.320 -0.070) 5.335 ======================= Grid point 71 (30/30) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 -1.386 6.687) 6.829 1.235 ( 0.000 1.386 6.687) 6.829 1.364 ( 0.000 -0.647 -5.531) 5.569 1.364 ( 0.000 0.647 -5.531) 5.569 1.699 ( 0.000 -3.048 2.220) 3.771 1.699 ( 0.000 3.048 2.220) 3.771 1.744 ( 0.000 -1.487 -1.972) 2.469 1.744 ( 0.000 1.487 -1.972) 2.469 1.798 ( 0.000 -1.946 1.966) 2.766 1.798 ( 0.000 1.946 1.966) 2.766 1.844 ( 0.000 -3.824 -1.612) 4.150 1.844 ( 0.000 3.824 -1.612) 4.150 1.939 ( 0.000 -0.250 1.729) 1.747 1.939 ( 0.000 0.250 1.729) 1.747 1.983 ( 0.000 -2.080 -2.000) 2.885 1.983 ( 0.000 2.080 -2.000) 2.885 2.057 ( -0.000 -0.411 1.529) 1.584 2.057 ( -0.000 0.411 1.529) 1.584 2.062 ( 0.000 -1.260 0.305) 1.296 2.062 ( 0.000 1.260 0.305) 1.296 2.084 ( 0.000 -1.175 0.146) 1.184 2.084 ( -0.000 1.175 0.146) 1.184 2.125 ( 0.000 -3.720 -0.840) 3.814 2.125 ( -0.000 3.720 -0.840) 3.814 2.211 ( 0.000 -1.649 -1.766) 2.417 2.211 ( 0.000 1.649 -1.766) 2.417 2.223 ( 0.000 -1.048 -2.266) 2.496 2.223 ( 0.000 1.048 -2.266) 2.496 2.300 ( -0.000 -2.731 1.602) 3.166 2.300 ( 0.000 2.731 1.602) 3.166 2.334 ( 0.000 -0.108 -1.545) 1.549 2.334 ( 0.000 0.108 -1.545) 1.549 2.366 ( 0.000 -0.836 -0.528) 0.989 2.366 ( 0.000 0.836 -0.528) 0.989 2.370 ( 0.000 -0.281 0.019) 0.282 2.370 ( 0.000 0.281 0.019) 0.282 2.420 ( 0.000 -2.719 2.451) 3.661 2.420 ( 0.000 2.719 2.451) 3.661 2.463 ( 0.000 -3.430 -0.966) 3.563 2.463 ( 0.000 3.430 -0.966) 3.563 2.527 ( 0.000 -2.165 1.495) 2.632 2.527 ( 0.000 2.166 1.495) 2.632 2.567 ( 0.000 -1.639 -1.869) 2.485 2.567 ( 0.000 1.639 -1.869) 2.485 2.620 ( 0.000 -0.253 0.315) 0.404 2.620 ( 0.000 0.253 0.315) 0.404 2.631 ( 0.000 -1.416 -0.279) 1.443 2.631 ( 0.000 1.416 -0.279) 1.443 2.662 ( 0.000 -0.307 4.032) 4.043 2.662 ( 0.000 0.307 4.032) 4.043 2.724 ( 0.000 -0.974 -0.803) 1.262 2.724 ( 0.000 0.974 -0.803) 1.262 2.751 ( -0.000 -0.330 1.257) 1.300 2.751 ( 0.000 0.330 1.257) 1.300 2.800 ( 0.000 -2.069 1.739) 2.703 2.800 ( 0.000 2.069 1.739) 2.703 2.820 ( 0.000 -1.760 -2.556) 3.103 2.820 ( 0.000 1.760 -2.556) 3.103 2.875 ( 0.000 -0.621 -4.244) 4.290 2.875 ( 0.000 0.621 -4.244) 4.290 3.002 ( 0.000 -0.020 2.621) 2.621 3.002 ( 0.000 0.020 2.621) 2.621 3.031 ( 0.000 -0.510 0.640) 0.818 3.031 ( 0.000 0.510 0.640) 0.818 3.068 ( 0.000 -1.242 0.846) 1.503 3.068 ( 0.000 1.242 0.846) 1.503 3.089 ( 0.000 -0.955 -1.730) 1.976 3.089 ( 0.000 0.955 -1.730) 1.976 3.139 ( 0.000 -1.904 1.587) 2.479 3.139 ( 0.000 1.904 1.587) 2.479 3.179 ( -0.000 -2.505 -2.010) 3.212 3.179 ( 0.000 2.505 -2.010) 3.212 3.209 ( -0.000 -6.706 0.595) 6.732 3.209 ( 0.000 6.706 0.595) 6.732 3.221 ( -0.000 -6.896 -0.570) 6.920 3.221 ( 0.000 6.896 -0.570) 6.920 3.754 ( 0.000 -3.319 4.925) 5.939 3.754 ( 0.000 3.319 4.925) 5.939 3.873 ( 0.000 -2.272 -6.752) 7.124 3.873 ( 0.000 2.272 -6.752) 7.124 4.117 ( -0.000 -5.653 0.992) 5.739 4.117 ( 0.000 5.653 0.992) 5.739 4.139 ( 0.000 -4.991 -0.962) 5.083 4.139 ( 0.000 4.991 -0.962) 5.083 4.255 ( 0.000 -0.275 6.295) 6.301 4.255 ( 0.000 0.275 6.295) 6.301 4.374 ( 0.000 -0.749 -5.711) 5.760 4.374 ( 0.000 0.749 -5.711) 5.760 4.520 ( 0.000 -0.690 1.741) 1.872 4.520 ( 0.000 0.690 1.741) 1.872 4.545 ( 0.000 -1.481 -0.874) 1.719 4.545 ( 0.000 1.481 -0.874) 1.719 4.734 ( 0.000 -1.195 1.790) 2.152 4.734 ( 0.000 1.195 1.790) 2.152 4.755 ( -0.000 -1.096 -0.405) 1.169 4.755 ( 0.000 1.096 -0.405) 1.169 4.803 ( -0.000 -2.454 0.763) 2.570 4.803 ( 0.000 2.454 0.763) 2.570 4.819 ( 0.000 -2.498 -0.311) 2.517 4.819 ( 0.000 2.498 -0.311) 2.517 5.001 ( 0.000 -3.317 -0.085) 3.318 5.001 ( 0.000 3.317 -0.085) 3.318 5.034 ( 0.000 -1.876 -3.070) 3.597 5.034 ( 0.000 1.876 -3.070) 3.597 5.167 ( 0.000 -0.414 2.401) 2.436 5.167 ( 0.000 0.414 2.401) 2.436 5.196 ( 0.000 -0.545 -0.431) 0.694 5.196 ( 0.000 0.545 -0.431) 0.694 5.374 ( 0.000 -1.981 1.739) 2.636 5.374 ( 0.000 1.981 1.739) 2.636 5.412 ( 0.000 -1.517 -1.781) 2.340 5.412 ( 0.000 1.517 -1.781) 2.340 6.436 ( 0.000 -6.399 2.852) 7.005 6.436 ( 0.000 6.399 2.852) 7.005 6.501 ( 0.000 -7.217 -3.309) 7.940 6.501 ( 0.000 7.217 -3.309) 7.940 6.981 ( 0.000 -0.051 2.158) 2.159 6.981 ( 0.000 0.051 2.158) 2.159 7.026 ( 0.000 -0.068 -2.122) 2.123 7.026 ( 0.000 0.068 -2.122) 2.123 7.172 ( 0.000 -4.623 0.977) 4.725 7.172 ( 0.000 4.623 0.977) 4.725 7.190 ( 0.000 -5.406 -0.674) 5.448 7.190 ( 0.000 5.406 -0.674) 5.448 7.453 ( 0.000 -3.464 1.619) 3.824 7.453 ( 0.000 3.464 1.619) 3.824 7.488 ( 0.000 -4.101 -1.764) 4.464 7.488 ( 0.000 4.101 -1.764) 4.464 7.661 ( 0.000 -1.658 3.010) 3.437 7.661 ( 0.000 1.658 3.010) 3.437 7.729 ( 0.000 -1.453 -3.648) 3.927 7.729 ( 0.000 1.453 -3.648) 3.927 7.847 ( 0.000 -0.066 2.483) 2.484 7.847 ( 0.000 0.066 2.483) 2.484 7.892 ( 0.000 -0.410 -2.087) 2.127 7.892 ( 0.000 0.410 -2.087) 2.127 7.990 ( 0.000 -3.387 1.939) 3.903 7.990 ( 0.000 3.387 1.939) 3.903 8.033 ( 0.000 -3.369 -2.464) 4.174 8.033 ( 0.000 3.369 -2.464) 4.174 8.135 ( 0.000 -3.697 2.354) 4.383 8.135 ( 0.000 3.697 2.354) 4.383 8.172 ( 0.000 -4.498 -1.349) 4.696 8.172 ( 0.000 4.498 -1.349) 4.696 8.469 ( 0.000 -0.786 0.523) 0.945 8.469 ( 0.000 0.786 0.523) 0.945 8.478 ( 0.000 -0.189 -0.181) 0.262 8.478 ( 0.000 0.189 -0.181) 0.262 8.551 ( 0.000 -1.119 0.838) 1.399 8.551 ( 0.000 1.119 0.838) 1.399 8.574 ( 0.000 -1.171 -1.283) 1.737 8.574 ( 0.000 1.171 -1.283) 1.737 8.630 ( 0.000 -0.379 0.960) 1.032 8.630 ( 0.000 0.379 0.960) 1.032 8.651 ( 0.000 -0.281 -1.066) 1.102 8.651 ( 0.000 0.281 -1.066) 1.102 8.849 ( 0.000 -1.108 0.814) 1.375 8.849 ( 0.000 1.108 0.814) 1.375 8.864 ( 0.000 -0.451 -0.658) 0.798 8.864 ( 0.000 0.451 -0.658) 0.798 9.049 ( 0.000 -2.867 2.628) 3.889 9.049 ( 0.000 2.867 2.628) 3.889 9.109 ( 0.000 -2.698 -3.074) 4.090 9.109 ( 0.000 2.698 -3.074) 4.090 9.380 ( 0.000 -0.174 1.626) 1.636 9.380 ( 0.000 0.174 1.626) 1.636 9.407 ( 0.000 -0.183 -0.992) 1.008 9.407 ( 0.000 0.183 -0.992) 1.008 9.759 ( 0.000 -1.376 1.411) 1.971 9.759 ( 0.000 1.376 1.411) 1.971 9.793 ( 0.000 -0.835 -1.778) 1.965 9.793 ( 0.000 0.835 -1.778) 1.965 9.878 ( 0.000 -0.859 1.458) 1.692 9.878 ( 0.000 0.859 1.458) 1.692 9.912 ( 0.000 -0.853 -1.702) 1.904 9.912 ( 0.000 0.853 -1.702) 1.904 10.504 ( 0.000 -6.324 3.634) 7.294 10.504 ( 0.000 6.324 3.634) 7.294 10.576 ( 0.000 -7.962 -3.087) 8.540 10.576 ( 0.000 7.962 -3.087) 8.540 10.748 ( 0.000 -0.354 1.677) 1.714 10.748 ( 0.000 0.354 1.677) 1.714 10.786 ( 0.000 -0.838 -1.839) 2.021 10.786 ( 0.000 0.838 -1.839) 2.021 11.028 ( 0.000 -0.060 1.453) 1.454 11.028 ( 0.000 0.060 1.453) 1.454 11.058 ( 0.000 -0.295 -1.433) 1.463 11.058 ( 0.000 0.295 -1.433) 1.463 11.311 ( 0.000 -4.162 1.177) 4.326 11.311 ( 0.000 4.162 1.177) 4.326 11.336 ( 0.000 -4.055 -1.155) 4.216 11.336 ( 0.000 4.055 -1.155) 4.216 11.598 ( 0.000 -4.739 1.323) 4.920 11.598 ( 0.000 4.739 1.323) 4.920 11.626 ( 0.000 -4.788 -1.364) 4.978 11.626 ( 0.000 4.788 -1.364) 4.978 11.880 ( 0.000 -0.574 0.502) 0.762 11.880 ( 0.000 0.574 0.502) 0.762 11.888 ( 0.000 -0.802 -0.292) 0.853 11.888 ( 0.000 0.802 -0.292) 0.853 12.000 ( 0.000 -5.537 0.068) 5.538 12.000 ( 0.000 5.537 0.068) 5.538 12.002 ( 0.000 -5.221 -0.137) 5.223 12.002 ( 0.000 5.221 -0.137) 5.223 =================== 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 3/19584 10.0 208.981 229.856 261.462 0.000 0.000 -0.000 3/19584 20.0 38.271 35.155 30.205 0.000 0.000 -0.000 3/19584 30.0 17.195 14.217 11.661 0.000 0.000 -0.000 3/19584 40.0 10.507 8.350 6.820 0.000 0.000 -0.000 3/19584 50.0 7.477 5.798 4.767 0.000 0.000 -0.000 3/19584 60.0 5.783 4.407 3.653 0.000 0.000 -0.000 3/19584 70.0 4.704 3.542 2.956 0.000 0.000 -0.000 3/19584 80.0 3.959 2.957 2.479 0.000 0.000 -0.000 3/19584 90.0 3.414 2.538 2.134 0.000 0.000 -0.000 3/19584 100.0 2.999 2.223 1.873 0.000 0.000 -0.000 3/19584 110.0 2.674 1.979 1.669 0.000 0.000 -0.000 3/19584 120.0 2.413 1.785 1.505 0.000 0.000 -0.000 3/19584 130.0 2.198 1.627 1.371 0.000 0.000 -0.000 3/19584 140.0 2.019 1.495 1.260 0.000 0.000 -0.000 3/19584 150.0 1.867 1.385 1.165 0.000 0.000 -0.000 3/19584 160.0 1.737 1.290 1.084 0.000 0.000 -0.000 3/19584 170.0 1.624 1.207 1.014 0.000 0.000 -0.000 3/19584 180.0 1.525 1.136 0.952 0.000 0.000 -0.000 3/19584 190.0 1.437 1.072 0.898 0.000 0.000 -0.000 3/19584 200.0 1.360 1.016 0.850 0.000 0.000 -0.000 3/19584 210.0 1.290 0.965 0.807 0.000 0.000 -0.000 3/19584 220.0 1.228 0.920 0.768 0.000 0.000 -0.000 3/19584 230.0 1.171 0.878 0.732 0.000 0.000 -0.000 3/19584 240.0 1.119 0.841 0.700 0.000 0.000 -0.000 3/19584 250.0 1.072 0.806 0.671 0.000 0.000 -0.000 3/19584 260.0 1.029 0.774 0.644 0.000 0.000 -0.000 3/19584 270.0 0.989 0.745 0.619 0.000 0.000 -0.000 3/19584 280.0 0.952 0.718 0.596 0.000 0.000 -0.000 3/19584 290.0 0.918 0.693 0.575 0.000 0.000 -0.000 3/19584 300.0 0.886 0.670 0.555 0.000 0.000 -0.000 3/19584 310.0 0.857 0.648 0.537 0.000 0.000 -0.000 3/19584 320.0 0.829 0.627 0.519 0.000 0.000 -0.000 3/19584 330.0 0.803 0.608 0.503 0.000 0.000 -0.000 3/19584 340.0 0.779 0.590 0.488 0.000 0.000 -0.000 3/19584 350.0 0.756 0.573 0.474 0.000 0.000 -0.000 3/19584 360.0 0.734 0.557 0.460 0.000 0.000 -0.000 3/19584 370.0 0.714 0.542 0.448 0.000 0.000 -0.000 3/19584 380.0 0.695 0.528 0.436 0.000 0.000 -0.000 3/19584 390.0 0.677 0.514 0.424 0.000 0.000 -0.000 3/19584 400.0 0.659 0.502 0.414 0.000 0.000 -0.000 3/19584 410.0 0.643 0.489 0.403 0.000 0.000 -0.000 3/19584 420.0 0.627 0.478 0.394 0.000 0.000 -0.000 3/19584 430.0 0.612 0.467 0.384 0.000 0.000 -0.000 3/19584 440.0 0.598 0.456 0.376 0.000 0.000 -0.000 3/19584 450.0 0.585 0.446 0.367 0.000 0.000 -0.000 3/19584 460.0 0.572 0.436 0.359 0.000 0.000 -0.000 3/19584 470.0 0.560 0.427 0.351 0.000 0.000 -0.000 3/19584 480.0 0.548 0.418 0.344 0.000 0.000 -0.000 3/19584 490.0 0.536 0.410 0.337 0.000 0.000 -0.000 3/19584 500.0 0.526 0.401 0.330 0.000 0.000 -0.000 3/19584 510.0 0.515 0.394 0.324 0.000 0.000 -0.000 3/19584 520.0 0.505 0.386 0.317 0.000 0.000 -0.000 3/19584 530.0 0.495 0.379 0.311 0.000 0.000 -0.000 3/19584 540.0 0.486 0.372 0.305 0.000 0.000 -0.000 3/19584 550.0 0.477 0.365 0.300 0.000 0.000 -0.000 3/19584 560.0 0.469 0.359 0.294 0.000 0.000 -0.000 3/19584 570.0 0.460 0.352 0.289 0.000 0.000 -0.000 3/19584 580.0 0.452 0.346 0.284 0.000 0.000 -0.000 3/19584 590.0 0.445 0.340 0.279 0.000 0.000 -0.000 3/19584 600.0 0.437 0.335 0.275 0.000 0.000 -0.000 3/19584 610.0 0.430 0.329 0.270 0.000 0.000 -0.000 3/19584 620.0 0.423 0.324 0.266 0.000 0.000 -0.000 3/19584 630.0 0.416 0.319 0.262 0.000 0.000 -0.000 3/19584 640.0 0.410 0.314 0.257 0.000 0.000 -0.000 3/19584 650.0 0.403 0.309 0.253 0.000 0.000 -0.000 3/19584 660.0 0.397 0.304 0.250 0.000 0.000 -0.000 3/19584 670.0 0.391 0.300 0.246 0.000 0.000 -0.000 3/19584 680.0 0.385 0.296 0.242 0.000 0.000 -0.000 3/19584 690.0 0.380 0.291 0.239 0.000 0.000 -0.000 3/19584 700.0 0.374 0.287 0.235 0.000 0.000 -0.000 3/19584 710.0 0.369 0.283 0.232 0.000 0.000 -0.000 3/19584 720.0 0.364 0.279 0.229 0.000 0.000 -0.000 3/19584 730.0 0.359 0.275 0.226 0.000 0.000 -0.000 3/19584 740.0 0.354 0.272 0.223 0.000 0.000 -0.000 3/19584 750.0 0.349 0.268 0.220 0.000 0.000 -0.000 3/19584 760.0 0.345 0.265 0.217 0.000 0.000 -0.000 3/19584 770.0 0.340 0.261 0.214 0.000 0.000 -0.000 3/19584 780.0 0.336 0.258 0.211 0.000 0.000 -0.000 3/19584 790.0 0.331 0.255 0.208 0.000 0.000 -0.000 3/19584 800.0 0.327 0.251 0.206 0.000 0.000 -0.000 3/19584 810.0 0.323 0.248 0.203 0.000 0.000 -0.000 3/19584 820.0 0.319 0.245 0.201 0.000 0.000 -0.000 3/19584 830.0 0.315 0.242 0.198 0.000 0.000 -0.000 3/19584 840.0 0.312 0.239 0.196 0.000 0.000 -0.000 3/19584 850.0 0.308 0.237 0.194 0.000 0.000 -0.000 3/19584 860.0 0.304 0.234 0.191 0.000 0.000 -0.000 3/19584 870.0 0.301 0.231 0.189 0.000 0.000 -0.000 3/19584 880.0 0.297 0.229 0.187 0.000 0.000 -0.000 3/19584 890.0 0.294 0.226 0.185 0.000 0.000 -0.000 3/19584 900.0 0.291 0.224 0.183 0.000 0.000 -0.000 3/19584 910.0 0.288 0.221 0.181 0.000 0.000 -0.000 3/19584 920.0 0.284 0.219 0.179 0.000 0.000 -0.000 3/19584 930.0 0.281 0.216 0.177 0.000 0.000 -0.000 3/19584 940.0 0.278 0.214 0.175 0.000 0.000 -0.000 3/19584 950.0 0.275 0.212 0.173 0.000 0.000 -0.000 3/19584 960.0 0.273 0.210 0.172 0.000 0.000 -0.000 3/19584 970.0 0.270 0.208 0.170 0.000 0.000 -0.000 3/19584 980.0 0.267 0.205 0.168 0.000 0.000 -0.000 3/19584 990.0 0.264 0.203 0.166 0.000 0.000 -0.000 3/19584 1000.0 0.262 0.201 0.165 0.000 0.000 -0.000 3/19584 Thermal conductivity related properties were written into "kappa-m843.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:02:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|