----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:01:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.094021460000000 Atomic positions (fractional): *1 Li 0.37007663543536 0.49174009752547 0.38149976495690 6.941 2 Li 0.12992336456464 0.50825990247453 0.88149976495690 6.941 3 Li 0.62992336456464 0.99174009752547 0.61850023504310 6.941 4 Li 0.87007663543536 0.00825990247453 0.11850023504310 6.941 5 Li 0.62992336456464 0.50825990247453 0.61850023504310 6.941 6 Li 0.87007663543536 0.49174009752547 0.11850023504310 6.941 7 Li 0.37007663543536 0.00825990247453 0.38149976495690 6.941 8 Li 0.12992336456464 0.99174009752547 0.88149976495690 6.941 *9 Cl 0.15688518184352 0.25000000000000 0.04397937226583 35.453 10 Cl 0.34311481815648 0.75000000000000 0.54397937226583 35.453 11 Cl 0.84311481815648 0.75000000000000 0.95602062773417 35.453 12 Cl 0.65688518184352 0.25000000000000 0.45602062773417 35.453 *13 Cl 0.38592581206916 0.25000000000000 0.20931816712125 35.453 14 Cl 0.11407418793083 0.75000000000000 0.70931816712125 35.453 15 Cl 0.61407418793084 0.75000000000000 0.79068183287875 35.453 16 Cl 0.88592581206916 0.25000000000000 0.29068183287875 35.453 *17 Cl 0.72064214584209 0.06936007810299 0.95590527048518 35.453 18 Cl 0.77935785415791 0.93063992189701 0.45590527048518 35.453 19 Cl 0.27935785415790 0.56936007810299 0.04409472951482 35.453 20 Cl 0.22064214584209 0.43063992189701 0.54409472951482 35.453 21 Cl 0.27935785415790 0.93063992189701 0.04409472951482 35.453 22 Cl 0.22064214584209 0.06936007810299 0.54409472951482 35.453 23 Cl 0.72064214584209 0.43063992189701 0.95590527048518 35.453 24 Cl 0.77935785415791 0.56936007810299 0.45590527048518 35.453 *25 Cl 0.46835123420652 0.43612623784197 0.73492289028182 35.453 26 Cl 0.03164876579348 0.56387376215803 0.23492289028182 35.453 27 Cl 0.53164876579348 0.93612623784197 0.26507710971818 35.453 28 Cl 0.96835123420652 0.06387376215803 0.76507710971818 35.453 29 Cl 0.53164876579348 0.56387376215803 0.26507710971818 35.453 30 Cl 0.96835123420652 0.43612623784197 0.76507710971818 35.453 31 Cl 0.46835123420652 0.06387376215803 0.73492289028182 35.453 32 Cl 0.03164876579348 0.93612623784197 0.23492289028182 35.453 *33 Ga 0.99360886808979 0.25000000000000 0.54518687623601 69.723 34 Ga 0.50639113191021 0.75000000000000 0.04518687623601 69.723 35 Ga 0.00639113191021 0.75000000000000 0.45481312376399 69.723 36 Ga 0.49360886808979 0.25000000000000 0.95481312376399 69.723 *37 Ga 0.14213045538143 0.25000000000000 0.40940186919219 69.723 38 Ga 0.35786954461857 0.75000000000000 0.90940186919219 69.723 39 Ga 0.85786954461857 0.75000000000000 0.59059813080781 69.723 40 Ga 0.64213045538143 0.25000000000000 0.09059813080781 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.094021460000000 Atomic positions (fractional): *1 Li 0.37007663543536 0.49174009752547 0.38149976495690 6.941 > 1 2 Li 0.12992336456464 0.50825990247453 0.88149976495690 6.941 > 2 3 Li 0.62992336456464 0.99174009752547 0.61850023504310 6.941 > 3 4 Li 0.87007663543536 0.00825990247453 0.11850023504310 6.941 > 4 5 Li 0.62992336456464 0.50825990247453 0.61850023504310 6.941 > 5 6 Li 0.87007663543536 0.49174009752547 0.11850023504310 6.941 > 6 7 Li 0.37007663543536 0.00825990247453 0.38149976495690 6.941 > 7 8 Li 0.12992336456464 0.99174009752547 0.88149976495690 6.941 > 8 *9 Cl 0.15688518184352 0.25000000000000 0.04397937226583 35.453 > 9 10 Cl 0.34311481815648 0.75000000000000 0.54397937226583 35.453 > 10 11 Cl 0.84311481815648 0.75000000000000 0.95602062773417 35.453 > 11 12 Cl 0.65688518184352 0.25000000000000 0.45602062773417 35.453 > 12 *13 Cl 0.38592581206916 0.25000000000000 0.20931816712125 35.453 > 13 14 Cl 0.11407418793083 0.75000000000000 0.70931816712125 35.453 > 14 15 Cl 0.61407418793084 0.75000000000000 0.79068183287875 35.453 > 15 16 Cl 0.88592581206916 0.25000000000000 0.29068183287875 35.453 > 16 *17 Cl 0.72064214584209 0.06936007810299 0.95590527048518 35.453 > 17 18 Cl 0.77935785415791 0.93063992189701 0.45590527048518 35.453 > 18 19 Cl 0.27935785415790 0.56936007810299 0.04409472951482 35.453 > 19 20 Cl 0.22064214584209 0.43063992189701 0.54409472951482 35.453 > 20 21 Cl 0.27935785415790 0.93063992189701 0.04409472951482 35.453 > 21 22 Cl 0.22064214584209 0.06936007810299 0.54409472951482 35.453 > 22 23 Cl 0.72064214584209 0.43063992189701 0.95590527048518 35.453 > 23 24 Cl 0.77935785415791 0.56936007810299 0.45590527048518 35.453 > 24 *25 Cl 0.46835123420652 0.43612623784197 0.73492289028182 35.453 > 25 26 Cl 0.03164876579348 0.56387376215803 0.23492289028182 35.453 > 26 27 Cl 0.53164876579348 0.93612623784197 0.26507710971818 35.453 > 27 28 Cl 0.96835123420652 0.06387376215803 0.76507710971818 35.453 > 28 29 Cl 0.53164876579348 0.56387376215803 0.26507710971818 35.453 > 29 30 Cl 0.96835123420652 0.43612623784197 0.76507710971818 35.453 > 30 31 Cl 0.46835123420652 0.06387376215803 0.73492289028182 35.453 > 31 32 Cl 0.03164876579348 0.93612623784197 0.23492289028182 35.453 > 32 *33 Ga 0.99360886808979 0.25000000000000 0.54518687623601 69.723 > 33 34 Ga 0.50639113191021 0.75000000000000 0.04518687623601 69.723 > 34 35 Ga 0.00639113191021 0.75000000000000 0.45481312376399 69.723 > 35 36 Ga 0.49360886808979 0.25000000000000 0.95481312376399 69.723 > 36 *37 Ga 0.14213045538143 0.25000000000000 0.40940186919219 69.723 > 37 38 Ga 0.35786954461857 0.75000000000000 0.90940186919219 69.723 > 38 39 Ga 0.85786954461857 0.75000000000000 0.59059813080781 69.723 > 39 40 Ga 0.64213045538143 0.25000000000000 0.09059813080781 69.723 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.188042919999999 Atomic positions (fractional): *1 Li 0.37007663543536 0.49174009752547 0.19074988247845 6.941 > 1 2 Li 0.37007663543536 0.49174009752547 0.69074988247845 6.941 > 1 3 Li 0.12992336456464 0.50825990247453 0.44074988247845 6.941 > 2 4 Li 0.12992336456464 0.50825990247453 0.94074988247845 6.941 > 2 5 Li 0.62992336456464 0.99174009752547 0.30925011752155 6.941 > 3 6 Li 0.62992336456464 0.99174009752547 0.80925011752155 6.941 > 3 7 Li 0.87007663543536 0.00825990247453 0.05925011752155 6.941 > 4 8 Li 0.87007663543536 0.00825990247453 0.55925011752155 6.941 > 4 9 Li 0.62992336456464 0.50825990247453 0.30925011752155 6.941 > 5 10 Li 0.62992336456464 0.50825990247453 0.80925011752155 6.941 > 5 11 Li 0.87007663543536 0.49174009752547 0.05925011752155 6.941 > 6 12 Li 0.87007663543536 0.49174009752547 0.55925011752155 6.941 > 6 13 Li 0.37007663543536 0.00825990247453 0.19074988247845 6.941 > 7 14 Li 0.37007663543536 0.00825990247453 0.69074988247845 6.941 > 7 15 Li 0.12992336456464 0.99174009752547 0.44074988247845 6.941 > 8 16 Li 0.12992336456464 0.99174009752547 0.94074988247845 6.941 > 8 *17 Cl 0.15688518184352 0.25000000000000 0.02198968613291 35.453 > 9 18 Cl 0.15688518184352 0.25000000000000 0.52198968613291 35.453 > 9 19 Cl 0.34311481815648 0.75000000000000 0.27198968613291 35.453 > 10 20 Cl 0.34311481815648 0.75000000000000 0.77198968613291 35.453 > 10 21 Cl 0.84311481815648 0.75000000000000 0.47801031386709 35.453 > 11 22 Cl 0.84311481815648 0.75000000000000 0.97801031386709 35.453 > 11 23 Cl 0.65688518184352 0.25000000000000 0.22801031386709 35.453 > 12 24 Cl 0.65688518184352 0.25000000000000 0.72801031386709 35.453 > 12 *25 Cl 0.38592581206916 0.25000000000000 0.10465908356063 35.453 > 13 26 Cl 0.38592581206916 0.25000000000000 0.60465908356063 35.453 > 13 27 Cl 0.11407418793083 0.75000000000000 0.35465908356062 35.453 > 14 28 Cl 0.11407418793083 0.75000000000000 0.85465908356062 35.453 > 14 29 Cl 0.61407418793084 0.75000000000000 0.39534091643938 35.453 > 15 30 Cl 0.61407418793084 0.75000000000000 0.89534091643938 35.453 > 15 31 Cl 0.88592581206916 0.25000000000000 0.14534091643937 35.453 > 16 32 Cl 0.88592581206916 0.25000000000000 0.64534091643937 35.453 > 16 *33 Cl 0.72064214584209 0.06936007810299 0.47795263524259 35.453 > 17 34 Cl 0.72064214584209 0.06936007810299 0.97795263524259 35.453 > 17 35 Cl 0.77935785415791 0.93063992189701 0.22795263524259 35.453 > 18 36 Cl 0.77935785415791 0.93063992189701 0.72795263524259 35.453 > 18 37 Cl 0.27935785415790 0.56936007810299 0.02204736475741 35.453 > 19 38 Cl 0.27935785415790 0.56936007810299 0.52204736475741 35.453 > 19 39 Cl 0.22064214584209 0.43063992189701 0.27204736475741 35.453 > 20 40 Cl 0.22064214584209 0.43063992189701 0.77204736475741 35.453 > 20 41 Cl 0.27935785415790 0.93063992189701 0.02204736475741 35.453 > 21 42 Cl 0.27935785415790 0.93063992189701 0.52204736475741 35.453 > 21 43 Cl 0.22064214584209 0.06936007810299 0.27204736475741 35.453 > 22 44 Cl 0.22064214584209 0.06936007810299 0.77204736475741 35.453 > 22 45 Cl 0.72064214584209 0.43063992189701 0.47795263524259 35.453 > 23 46 Cl 0.72064214584209 0.43063992189701 0.97795263524259 35.453 > 23 47 Cl 0.77935785415791 0.56936007810299 0.22795263524259 35.453 > 24 48 Cl 0.77935785415791 0.56936007810299 0.72795263524259 35.453 > 24 *49 Cl 0.46835123420652 0.43612623784197 0.36746144514091 35.453 > 25 50 Cl 0.46835123420652 0.43612623784197 0.86746144514091 35.453 > 25 51 Cl 0.03164876579348 0.56387376215803 0.11746144514091 35.453 > 26 52 Cl 0.03164876579348 0.56387376215803 0.61746144514091 35.453 > 26 53 Cl 0.53164876579348 0.93612623784197 0.13253855485909 35.453 > 27 54 Cl 0.53164876579348 0.93612623784197 0.63253855485909 35.453 > 27 55 Cl 0.96835123420652 0.06387376215803 0.38253855485909 35.453 > 28 56 Cl 0.96835123420652 0.06387376215803 0.88253855485909 35.453 > 28 57 Cl 0.53164876579348 0.56387376215803 0.13253855485909 35.453 > 29 58 Cl 0.53164876579348 0.56387376215803 0.63253855485909 35.453 > 29 59 Cl 0.96835123420652 0.43612623784197 0.38253855485909 35.453 > 30 60 Cl 0.96835123420652 0.43612623784197 0.88253855485909 35.453 > 30 61 Cl 0.46835123420652 0.06387376215803 0.36746144514091 35.453 > 31 62 Cl 0.46835123420652 0.06387376215803 0.86746144514091 35.453 > 31 63 Cl 0.03164876579348 0.93612623784197 0.11746144514091 35.453 > 32 64 Cl 0.03164876579348 0.93612623784197 0.61746144514091 35.453 > 32 *65 Ga 0.99360886808979 0.25000000000000 0.27259343811800 69.723 > 33 66 Ga 0.99360886808979 0.25000000000000 0.77259343811800 69.723 > 33 67 Ga 0.50639113191021 0.75000000000000 0.02259343811800 69.723 > 34 68 Ga 0.50639113191021 0.75000000000000 0.52259343811800 69.723 > 34 69 Ga 0.00639113191021 0.75000000000000 0.22740656188200 69.723 > 35 70 Ga 0.00639113191021 0.75000000000000 0.72740656188200 69.723 > 35 71 Ga 0.49360886808979 0.25000000000000 0.47740656188200 69.723 > 36 72 Ga 0.49360886808979 0.25000000000000 0.97740656188200 69.723 > 36 *73 Ga 0.14213045538143 0.25000000000000 0.20470093459610 69.723 > 37 74 Ga 0.14213045538143 0.25000000000000 0.70470093459610 69.723 > 37 75 Ga 0.35786954461857 0.75000000000000 0.45470093459610 69.723 > 38 76 Ga 0.35786954461857 0.75000000000000 0.95470093459610 69.723 > 38 77 Ga 0.85786954461857 0.75000000000000 0.29529906540390 69.723 > 39 78 Ga 0.85786954461857 0.75000000000000 0.79529906540390 69.723 > 39 79 Ga 0.64213045538143 0.25000000000000 0.04529906540390 69.723 > 40 80 Ga 0.64213045538143 0.25000000000000 0.54529906540390 69.723 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4023304 0.0000000 0.0000000 0.0000000 3.4464507 0.0000000 0.0000000 0.0000000 3.4173123 -------------------------- Born effective charges -------------------------- 1 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 2 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 3 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 4 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 5 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 6 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 7 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 8 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 9 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 10 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 11 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 12 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 13 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 14 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 15 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 16 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 17 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 18 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 19 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 20 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 21 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 22 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 23 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 24 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 25 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 26 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 27 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 28 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 29 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 30 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 31 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 32 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 33 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 34 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 35 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 36 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 37 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 38 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 39 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 40 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1922 Number of blocks in projector: 1922 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.224 Solver_block: 200 / 640 - Time: 2.211 Solver_block: 300 / 640 - Time: 2.203 Solver_block: 400 / 640 - Time: 2.213 Solver_block: 500 / 640 - Time: 2.214 Solver_block: 600 / 640 - Time: 2.206 Solver_block: 640 / 640 - Time: 0.948 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.268 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1922 Number of blocks in projector: 1922 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:01:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:01:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.094021460000000 Atomic positions (fractional): 1 Li 0.37007663543536 0.49174009752547 0.38149976495690 6.941 2 Li 0.12992336456464 0.50825990247453 0.88149976495690 6.941 3 Li 0.62992336456464 0.99174009752547 0.61850023504310 6.941 4 Li 0.87007663543536 0.00825990247453 0.11850023504310 6.941 5 Li 0.62992336456464 0.50825990247453 0.61850023504310 6.941 6 Li 0.87007663543536 0.49174009752547 0.11850023504310 6.941 7 Li 0.37007663543536 0.00825990247453 0.38149976495690 6.941 8 Li 0.12992336456464 0.99174009752547 0.88149976495690 6.941 9 Cl 0.15688518184352 0.25000000000000 0.04397937226583 35.453 10 Cl 0.34311481815648 0.75000000000000 0.54397937226583 35.453 11 Cl 0.84311481815648 0.75000000000000 0.95602062773417 35.453 12 Cl 0.65688518184352 0.25000000000000 0.45602062773417 35.453 13 Cl 0.38592581206916 0.25000000000000 0.20931816712125 35.453 14 Cl 0.11407418793083 0.75000000000000 0.70931816712125 35.453 15 Cl 0.61407418793084 0.75000000000000 0.79068183287875 35.453 16 Cl 0.88592581206916 0.25000000000000 0.29068183287875 35.453 17 Cl 0.72064214584209 0.06936007810299 0.95590527048518 35.453 18 Cl 0.77935785415791 0.93063992189701 0.45590527048518 35.453 19 Cl 0.27935785415790 0.56936007810299 0.04409472951482 35.453 20 Cl 0.22064214584209 0.43063992189701 0.54409472951482 35.453 21 Cl 0.27935785415790 0.93063992189701 0.04409472951482 35.453 22 Cl 0.22064214584209 0.06936007810299 0.54409472951482 35.453 23 Cl 0.72064214584209 0.43063992189701 0.95590527048518 35.453 24 Cl 0.77935785415791 0.56936007810299 0.45590527048518 35.453 25 Cl 0.46835123420652 0.43612623784197 0.73492289028182 35.453 26 Cl 0.03164876579348 0.56387376215803 0.23492289028182 35.453 27 Cl 0.53164876579348 0.93612623784197 0.26507710971818 35.453 28 Cl 0.96835123420652 0.06387376215803 0.76507710971818 35.453 29 Cl 0.53164876579348 0.56387376215803 0.26507710971818 35.453 30 Cl 0.96835123420652 0.43612623784197 0.76507710971818 35.453 31 Cl 0.46835123420652 0.06387376215803 0.73492289028182 35.453 32 Cl 0.03164876579348 0.93612623784197 0.23492289028182 35.453 33 Ga 0.99360886808979 0.25000000000000 0.54518687623601 69.723 34 Ga 0.50639113191021 0.75000000000000 0.04518687623601 69.723 35 Ga 0.00639113191021 0.75000000000000 0.45481312376399 69.723 36 Ga 0.49360886808979 0.25000000000000 0.95481312376399 69.723 37 Ga 0.14213045538143 0.25000000000000 0.40940186919219 69.723 38 Ga 0.35786954461857 0.75000000000000 0.90940186919219 69.723 39 Ga 0.85786954461857 0.75000000000000 0.59059813080781 69.723 40 Ga 0.64213045538143 0.25000000000000 0.09059813080781 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.188042919999999 Atomic positions (fractional): 1 Li 0.37007663543536 0.49174009752547 0.19074988247845 6.941 > 1 2 Li 0.37007663543536 0.49174009752547 0.69074988247845 6.941 > 1 3 Li 0.12992336456464 0.50825990247453 0.44074988247845 6.941 > 3 4 Li 0.12992336456464 0.50825990247453 0.94074988247845 6.941 > 3 5 Li 0.62992336456464 0.99174009752547 0.30925011752155 6.941 > 5 6 Li 0.62992336456464 0.99174009752547 0.80925011752155 6.941 > 5 7 Li 0.87007663543536 0.00825990247453 0.05925011752155 6.941 > 7 8 Li 0.87007663543536 0.00825990247453 0.55925011752155 6.941 > 7 9 Li 0.62992336456464 0.50825990247453 0.30925011752155 6.941 > 9 10 Li 0.62992336456464 0.50825990247453 0.80925011752155 6.941 > 9 11 Li 0.87007663543536 0.49174009752547 0.05925011752155 6.941 > 11 12 Li 0.87007663543536 0.49174009752547 0.55925011752155 6.941 > 11 13 Li 0.37007663543536 0.00825990247453 0.19074988247845 6.941 > 13 14 Li 0.37007663543536 0.00825990247453 0.69074988247845 6.941 > 13 15 Li 0.12992336456464 0.99174009752547 0.44074988247845 6.941 > 15 16 Li 0.12992336456464 0.99174009752547 0.94074988247845 6.941 > 15 17 Cl 0.15688518184352 0.25000000000000 0.02198968613291 35.453 > 17 18 Cl 0.15688518184352 0.25000000000000 0.52198968613291 35.453 > 17 19 Cl 0.34311481815648 0.75000000000000 0.27198968613291 35.453 > 19 20 Cl 0.34311481815648 0.75000000000000 0.77198968613291 35.453 > 19 21 Cl 0.84311481815648 0.75000000000000 0.47801031386709 35.453 > 21 22 Cl 0.84311481815648 0.75000000000000 0.97801031386709 35.453 > 21 23 Cl 0.65688518184352 0.25000000000000 0.22801031386709 35.453 > 23 24 Cl 0.65688518184352 0.25000000000000 0.72801031386709 35.453 > 23 25 Cl 0.38592581206916 0.25000000000000 0.10465908356063 35.453 > 25 26 Cl 0.38592581206916 0.25000000000000 0.60465908356063 35.453 > 25 27 Cl 0.11407418793083 0.75000000000000 0.35465908356062 35.453 > 27 28 Cl 0.11407418793083 0.75000000000000 0.85465908356062 35.453 > 27 29 Cl 0.61407418793084 0.75000000000000 0.39534091643938 35.453 > 29 30 Cl 0.61407418793084 0.75000000000000 0.89534091643938 35.453 > 29 31 Cl 0.88592581206916 0.25000000000000 0.14534091643937 35.453 > 31 32 Cl 0.88592581206916 0.25000000000000 0.64534091643937 35.453 > 31 33 Cl 0.72064214584209 0.06936007810299 0.47795263524259 35.453 > 33 34 Cl 0.72064214584209 0.06936007810299 0.97795263524259 35.453 > 33 35 Cl 0.77935785415791 0.93063992189701 0.22795263524259 35.453 > 35 36 Cl 0.77935785415791 0.93063992189701 0.72795263524259 35.453 > 35 37 Cl 0.27935785415790 0.56936007810299 0.02204736475741 35.453 > 37 38 Cl 0.27935785415790 0.56936007810299 0.52204736475741 35.453 > 37 39 Cl 0.22064214584209 0.43063992189701 0.27204736475741 35.453 > 39 40 Cl 0.22064214584209 0.43063992189701 0.77204736475741 35.453 > 39 41 Cl 0.27935785415790 0.93063992189701 0.02204736475741 35.453 > 41 42 Cl 0.27935785415790 0.93063992189701 0.52204736475741 35.453 > 41 43 Cl 0.22064214584209 0.06936007810299 0.27204736475741 35.453 > 43 44 Cl 0.22064214584209 0.06936007810299 0.77204736475741 35.453 > 43 45 Cl 0.72064214584209 0.43063992189701 0.47795263524259 35.453 > 45 46 Cl 0.72064214584209 0.43063992189701 0.97795263524259 35.453 > 45 47 Cl 0.77935785415791 0.56936007810299 0.22795263524259 35.453 > 47 48 Cl 0.77935785415791 0.56936007810299 0.72795263524259 35.453 > 47 49 Cl 0.46835123420652 0.43612623784197 0.36746144514091 35.453 > 49 50 Cl 0.46835123420652 0.43612623784197 0.86746144514091 35.453 > 49 51 Cl 0.03164876579348 0.56387376215803 0.11746144514091 35.453 > 51 52 Cl 0.03164876579348 0.56387376215803 0.61746144514091 35.453 > 51 53 Cl 0.53164876579348 0.93612623784197 0.13253855485909 35.453 > 53 54 Cl 0.53164876579348 0.93612623784197 0.63253855485909 35.453 > 53 55 Cl 0.96835123420652 0.06387376215803 0.38253855485909 35.453 > 55 56 Cl 0.96835123420652 0.06387376215803 0.88253855485909 35.453 > 55 57 Cl 0.53164876579348 0.56387376215803 0.13253855485909 35.453 > 57 58 Cl 0.53164876579348 0.56387376215803 0.63253855485909 35.453 > 57 59 Cl 0.96835123420652 0.43612623784197 0.38253855485909 35.453 > 59 60 Cl 0.96835123420652 0.43612623784197 0.88253855485909 35.453 > 59 61 Cl 0.46835123420652 0.06387376215803 0.36746144514091 35.453 > 61 62 Cl 0.46835123420652 0.06387376215803 0.86746144514091 35.453 > 61 63 Cl 0.03164876579348 0.93612623784197 0.11746144514091 35.453 > 63 64 Cl 0.03164876579348 0.93612623784197 0.61746144514091 35.453 > 63 65 Ga 0.99360886808979 0.25000000000000 0.27259343811800 69.723 > 65 66 Ga 0.99360886808979 0.25000000000000 0.77259343811800 69.723 > 65 67 Ga 0.50639113191021 0.75000000000000 0.02259343811800 69.723 > 67 68 Ga 0.50639113191021 0.75000000000000 0.52259343811800 69.723 > 67 69 Ga 0.00639113191021 0.75000000000000 0.22740656188200 69.723 > 69 70 Ga 0.00639113191021 0.75000000000000 0.72740656188200 69.723 > 69 71 Ga 0.49360886808979 0.25000000000000 0.47740656188200 69.723 > 71 72 Ga 0.49360886808979 0.25000000000000 0.97740656188200 69.723 > 71 73 Ga 0.14213045538143 0.25000000000000 0.20470093459610 69.723 > 73 74 Ga 0.14213045538143 0.25000000000000 0.70470093459610 69.723 > 73 75 Ga 0.35786954461857 0.75000000000000 0.45470093459610 69.723 > 75 76 Ga 0.35786954461857 0.75000000000000 0.95470093459610 69.723 > 75 77 Ga 0.85786954461857 0.75000000000000 0.29529906540390 69.723 > 77 78 Ga 0.85786954461857 0.75000000000000 0.79529906540390 69.723 > 77 79 Ga 0.64213045538143 0.25000000000000 0.04529906540390 69.723 > 79 80 Ga 0.64213045538143 0.25000000000000 0.54529906540390 69.723 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4023304 0.0000000 0.0000000 0.0000000 3.4464507 0.0000000 0.0000000 0.0000000 3.4173123 -------------------------- Born effective charges -------------------------- 1 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 2 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 3 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 4 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 5 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 6 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 7 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 8 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 9 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 10 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 11 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 12 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 13 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 14 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 15 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 16 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 17 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 18 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 19 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 20 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 21 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 22 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 23 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 24 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 25 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 26 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 27 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 28 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 29 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 30 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 31 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 32 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 33 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 34 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 35 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 36 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 37 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 38 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 39 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 40 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:01:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:01:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.094021460000000 Atomic positions (fractional): 1 Li 0.37007663543536 0.49174009752547 0.38149976495690 6.941 2 Li 0.12992336456464 0.50825990247453 0.88149976495690 6.941 3 Li 0.62992336456464 0.99174009752547 0.61850023504310 6.941 4 Li 0.87007663543536 0.00825990247453 0.11850023504310 6.941 5 Li 0.62992336456464 0.50825990247453 0.61850023504310 6.941 6 Li 0.87007663543536 0.49174009752547 0.11850023504310 6.941 7 Li 0.37007663543536 0.00825990247453 0.38149976495690 6.941 8 Li 0.12992336456464 0.99174009752547 0.88149976495690 6.941 9 Cl 0.15688518184352 0.25000000000000 0.04397937226583 35.453 10 Cl 0.34311481815648 0.75000000000000 0.54397937226583 35.453 11 Cl 0.84311481815648 0.75000000000000 0.95602062773417 35.453 12 Cl 0.65688518184352 0.25000000000000 0.45602062773417 35.453 13 Cl 0.38592581206916 0.25000000000000 0.20931816712125 35.453 14 Cl 0.11407418793083 0.75000000000000 0.70931816712125 35.453 15 Cl 0.61407418793084 0.75000000000000 0.79068183287875 35.453 16 Cl 0.88592581206916 0.25000000000000 0.29068183287875 35.453 17 Cl 0.72064214584209 0.06936007810299 0.95590527048518 35.453 18 Cl 0.77935785415791 0.93063992189701 0.45590527048518 35.453 19 Cl 0.27935785415790 0.56936007810299 0.04409472951482 35.453 20 Cl 0.22064214584209 0.43063992189701 0.54409472951482 35.453 21 Cl 0.27935785415790 0.93063992189701 0.04409472951482 35.453 22 Cl 0.22064214584209 0.06936007810299 0.54409472951482 35.453 23 Cl 0.72064214584209 0.43063992189701 0.95590527048518 35.453 24 Cl 0.77935785415791 0.56936007810299 0.45590527048518 35.453 25 Cl 0.46835123420652 0.43612623784197 0.73492289028182 35.453 26 Cl 0.03164876579348 0.56387376215803 0.23492289028182 35.453 27 Cl 0.53164876579348 0.93612623784197 0.26507710971818 35.453 28 Cl 0.96835123420652 0.06387376215803 0.76507710971818 35.453 29 Cl 0.53164876579348 0.56387376215803 0.26507710971818 35.453 30 Cl 0.96835123420652 0.43612623784197 0.76507710971818 35.453 31 Cl 0.46835123420652 0.06387376215803 0.73492289028182 35.453 32 Cl 0.03164876579348 0.93612623784197 0.23492289028182 35.453 33 Ga 0.99360886808979 0.25000000000000 0.54518687623601 69.723 34 Ga 0.50639113191021 0.75000000000000 0.04518687623601 69.723 35 Ga 0.00639113191021 0.75000000000000 0.45481312376399 69.723 36 Ga 0.49360886808979 0.25000000000000 0.95481312376399 69.723 37 Ga 0.14213045538143 0.25000000000000 0.40940186919219 69.723 38 Ga 0.35786954461857 0.75000000000000 0.90940186919219 69.723 39 Ga 0.85786954461857 0.75000000000000 0.59059813080781 69.723 40 Ga 0.64213045538143 0.25000000000000 0.09059813080781 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045278529999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.560096260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.188042919999999 Atomic positions (fractional): 1 Li 0.37007663543536 0.49174009752547 0.19074988247845 6.941 > 1 2 Li 0.37007663543536 0.49174009752547 0.69074988247845 6.941 > 1 3 Li 0.12992336456464 0.50825990247453 0.44074988247845 6.941 > 3 4 Li 0.12992336456464 0.50825990247453 0.94074988247845 6.941 > 3 5 Li 0.62992336456464 0.99174009752547 0.30925011752155 6.941 > 5 6 Li 0.62992336456464 0.99174009752547 0.80925011752155 6.941 > 5 7 Li 0.87007663543536 0.00825990247453 0.05925011752155 6.941 > 7 8 Li 0.87007663543536 0.00825990247453 0.55925011752155 6.941 > 7 9 Li 0.62992336456464 0.50825990247453 0.30925011752155 6.941 > 9 10 Li 0.62992336456464 0.50825990247453 0.80925011752155 6.941 > 9 11 Li 0.87007663543536 0.49174009752547 0.05925011752155 6.941 > 11 12 Li 0.87007663543536 0.49174009752547 0.55925011752155 6.941 > 11 13 Li 0.37007663543536 0.00825990247453 0.19074988247845 6.941 > 13 14 Li 0.37007663543536 0.00825990247453 0.69074988247845 6.941 > 13 15 Li 0.12992336456464 0.99174009752547 0.44074988247845 6.941 > 15 16 Li 0.12992336456464 0.99174009752547 0.94074988247845 6.941 > 15 17 Cl 0.15688518184352 0.25000000000000 0.02198968613291 35.453 > 17 18 Cl 0.15688518184352 0.25000000000000 0.52198968613291 35.453 > 17 19 Cl 0.34311481815648 0.75000000000000 0.27198968613291 35.453 > 19 20 Cl 0.34311481815648 0.75000000000000 0.77198968613291 35.453 > 19 21 Cl 0.84311481815648 0.75000000000000 0.47801031386709 35.453 > 21 22 Cl 0.84311481815648 0.75000000000000 0.97801031386709 35.453 > 21 23 Cl 0.65688518184352 0.25000000000000 0.22801031386709 35.453 > 23 24 Cl 0.65688518184352 0.25000000000000 0.72801031386709 35.453 > 23 25 Cl 0.38592581206916 0.25000000000000 0.10465908356063 35.453 > 25 26 Cl 0.38592581206916 0.25000000000000 0.60465908356063 35.453 > 25 27 Cl 0.11407418793083 0.75000000000000 0.35465908356062 35.453 > 27 28 Cl 0.11407418793083 0.75000000000000 0.85465908356062 35.453 > 27 29 Cl 0.61407418793084 0.75000000000000 0.39534091643938 35.453 > 29 30 Cl 0.61407418793084 0.75000000000000 0.89534091643938 35.453 > 29 31 Cl 0.88592581206916 0.25000000000000 0.14534091643937 35.453 > 31 32 Cl 0.88592581206916 0.25000000000000 0.64534091643937 35.453 > 31 33 Cl 0.72064214584209 0.06936007810299 0.47795263524259 35.453 > 33 34 Cl 0.72064214584209 0.06936007810299 0.97795263524259 35.453 > 33 35 Cl 0.77935785415791 0.93063992189701 0.22795263524259 35.453 > 35 36 Cl 0.77935785415791 0.93063992189701 0.72795263524259 35.453 > 35 37 Cl 0.27935785415790 0.56936007810299 0.02204736475741 35.453 > 37 38 Cl 0.27935785415790 0.56936007810299 0.52204736475741 35.453 > 37 39 Cl 0.22064214584209 0.43063992189701 0.27204736475741 35.453 > 39 40 Cl 0.22064214584209 0.43063992189701 0.77204736475741 35.453 > 39 41 Cl 0.27935785415790 0.93063992189701 0.02204736475741 35.453 > 41 42 Cl 0.27935785415790 0.93063992189701 0.52204736475741 35.453 > 41 43 Cl 0.22064214584209 0.06936007810299 0.27204736475741 35.453 > 43 44 Cl 0.22064214584209 0.06936007810299 0.77204736475741 35.453 > 43 45 Cl 0.72064214584209 0.43063992189701 0.47795263524259 35.453 > 45 46 Cl 0.72064214584209 0.43063992189701 0.97795263524259 35.453 > 45 47 Cl 0.77935785415791 0.56936007810299 0.22795263524259 35.453 > 47 48 Cl 0.77935785415791 0.56936007810299 0.72795263524259 35.453 > 47 49 Cl 0.46835123420652 0.43612623784197 0.36746144514091 35.453 > 49 50 Cl 0.46835123420652 0.43612623784197 0.86746144514091 35.453 > 49 51 Cl 0.03164876579348 0.56387376215803 0.11746144514091 35.453 > 51 52 Cl 0.03164876579348 0.56387376215803 0.61746144514091 35.453 > 51 53 Cl 0.53164876579348 0.93612623784197 0.13253855485909 35.453 > 53 54 Cl 0.53164876579348 0.93612623784197 0.63253855485909 35.453 > 53 55 Cl 0.96835123420652 0.06387376215803 0.38253855485909 35.453 > 55 56 Cl 0.96835123420652 0.06387376215803 0.88253855485909 35.453 > 55 57 Cl 0.53164876579348 0.56387376215803 0.13253855485909 35.453 > 57 58 Cl 0.53164876579348 0.56387376215803 0.63253855485909 35.453 > 57 59 Cl 0.96835123420652 0.43612623784197 0.38253855485909 35.453 > 59 60 Cl 0.96835123420652 0.43612623784197 0.88253855485909 35.453 > 59 61 Cl 0.46835123420652 0.06387376215803 0.36746144514091 35.453 > 61 62 Cl 0.46835123420652 0.06387376215803 0.86746144514091 35.453 > 61 63 Cl 0.03164876579348 0.93612623784197 0.11746144514091 35.453 > 63 64 Cl 0.03164876579348 0.93612623784197 0.61746144514091 35.453 > 63 65 Ga 0.99360886808979 0.25000000000000 0.27259343811800 69.723 > 65 66 Ga 0.99360886808979 0.25000000000000 0.77259343811800 69.723 > 65 67 Ga 0.50639113191021 0.75000000000000 0.02259343811800 69.723 > 67 68 Ga 0.50639113191021 0.75000000000000 0.52259343811800 69.723 > 67 69 Ga 0.00639113191021 0.75000000000000 0.22740656188200 69.723 > 69 70 Ga 0.00639113191021 0.75000000000000 0.72740656188200 69.723 > 69 71 Ga 0.49360886808979 0.25000000000000 0.47740656188200 69.723 > 71 72 Ga 0.49360886808979 0.25000000000000 0.97740656188200 69.723 > 71 73 Ga 0.14213045538143 0.25000000000000 0.20470093459610 69.723 > 73 74 Ga 0.14213045538143 0.25000000000000 0.70470093459610 69.723 > 73 75 Ga 0.35786954461857 0.75000000000000 0.45470093459610 69.723 > 75 76 Ga 0.35786954461857 0.75000000000000 0.95470093459610 69.723 > 75 77 Ga 0.85786954461857 0.75000000000000 0.29529906540390 69.723 > 77 78 Ga 0.85786954461857 0.75000000000000 0.79529906540390 69.723 > 77 79 Ga 0.64213045538143 0.25000000000000 0.04529906540390 69.723 > 79 80 Ga 0.64213045538143 0.25000000000000 0.54529906540390 69.723 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4023304 0.0000000 0.0000000 0.0000000 3.4464507 0.0000000 0.0000000 0.0000000 3.4173123 -------------------------- Born effective charges -------------------------- 1 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 2 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 3 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 4 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 5 Li 1.2938002 -0.0757343 -0.0487788 0.0447341 1.2276794 -0.1417262 0.0142009 0.1925119 1.3212853 6 Li 1.2938002 -0.0757343 0.0487788 0.0447341 1.2276794 0.1417262 -0.0142009 -0.1925119 1.3212853 7 Li 1.2938002 0.0757343 -0.0487788 -0.0447341 1.2276794 0.1417262 0.0142009 -0.1925119 1.3212853 8 Li 1.2938002 0.0757343 0.0487788 -0.0447341 1.2276794 -0.1417262 -0.0142009 0.1925119 1.3212853 9 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 10 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 11 Cl -0.6379982 0.0000000 0.2352076 0.0000000 -0.9880890 0.0000000 0.0981585 0.0000000 -1.8768924 12 Cl -0.6379982 0.0000000 -0.2352076 0.0000000 -0.9880890 0.0000000 -0.0981585 0.0000000 -1.8768924 13 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 14 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 15 Cl -1.2757490 0.0000000 0.7540347 0.0000000 -0.9518563 0.0000000 0.5721778 0.0000000 -1.0814584 16 Cl -1.2757490 0.0000000 -0.7540347 0.0000000 -0.9518563 0.0000000 -0.5721778 0.0000000 -1.0814584 17 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 18 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 19 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 20 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 21 Cl -1.4107519 0.5883291 -0.0423037 0.5598737 -1.1866024 -0.3174628 -0.1156671 -0.2511359 -0.8442373 22 Cl -1.4107519 0.5883291 0.0423037 0.5598737 -1.1866024 0.3174628 0.1156671 0.2511359 -0.8442373 23 Cl -1.4107519 -0.5883291 -0.0423037 -0.5598737 -1.1866024 0.3174628 -0.1156671 0.2511359 -0.8442373 24 Cl -1.4107519 -0.5883291 0.0423037 -0.5598737 -1.1866024 -0.3174628 0.1156671 -0.2511359 -0.8442373 25 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 26 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 27 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 28 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 29 Cl -0.8820989 0.3641112 -0.3647694 0.2094580 -1.4661383 0.6307677 -0.2116898 0.5601752 -1.1879659 30 Cl -0.8820989 0.3641112 0.3647694 0.2094580 -1.4661383 -0.6307677 0.2116898 -0.5601752 -1.1879659 31 Cl -0.8820989 -0.3641112 -0.3647694 -0.2094580 -1.4661383 -0.6307677 -0.2116898 -0.5601752 -1.1879659 32 Cl -0.8820989 -0.3641112 0.3647694 -0.2094580 -1.4661383 0.6307677 0.2116898 0.5601752 -1.1879659 33 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 34 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 35 Ga 1.8235899 0.0000000 0.1136725 0.0000000 2.5199510 0.0000000 0.1831101 0.0000000 2.1335707 36 Ga 1.8235899 0.0000000 -0.1136725 0.0000000 2.5199510 0.0000000 -0.1831101 0.0000000 2.1335707 37 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 38 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 39 Ga 2.0882584 0.0000000 0.1175646 0.0000000 2.2701170 0.0000000 -0.0089742 0.0000000 2.2466158 40 Ga 2.0882584 0.0000000 -0.1175646 0.0000000 2.2701170 0.0000000 0.0089742 0.0000000 2.2466158 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 293, Lambda: 0.08 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-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 1.114 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 18.378 0.000 0.000) 18.378 0.432 ( 19.330 0.000 0.000) 19.330 0.770 ( 22.750 0.000 0.000) 22.750 0.821 ( -7.633 0.000 0.000) 7.633 0.850 ( -18.219 0.000 0.000) 18.219 1.410 ( -22.398 0.000 0.000) 22.398 1.572 ( 12.469 0.000 0.000) 12.469 1.582 ( 12.675 0.000 0.000) 12.675 1.701 ( -1.167 0.000 0.000) 1.167 1.717 ( 5.463 0.000 0.000) 5.463 1.739 ( -1.077 0.000 0.000) 1.077 1.810 ( -5.474 0.000 0.000) 5.474 1.820 ( -1.924 0.000 0.000) 1.924 1.864 ( -8.719 0.000 0.000) 8.719 1.883 ( 0.359 0.000 0.000) 0.359 1.913 ( -6.874 0.000 0.000) 6.874 2.059 ( 5.781 0.000 0.000) 5.781 2.193 ( -4.941 0.000 0.000) 4.941 2.200 ( 5.760 0.000 0.000) 5.760 2.242 ( 1.017 0.000 0.000) 1.017 2.340 ( -0.853 0.000 0.000) 0.853 2.403 ( -5.010 0.000 0.000) 5.010 2.449 ( 4.175 0.000 0.000) 4.175 2.467 ( 4.572 0.000 0.000) 4.572 2.536 ( -3.595 0.000 0.000) 3.595 2.591 ( -5.935 0.000 0.000) 5.935 2.703 ( 1.749 0.000 0.000) 1.749 2.730 ( -0.675 0.000 0.000) 0.675 2.804 ( 3.510 0.000 0.000) 3.510 2.876 ( -3.012 0.000 0.000) 3.012 2.951 ( 1.433 0.000 0.000) 1.433 2.967 ( 0.153 0.000 0.000) 0.153 3.087 ( 0.642 0.000 0.000) 0.642 3.098 ( -0.756 0.000 0.000) 0.756 3.147 ( 6.126 0.000 0.000) 6.126 3.230 ( 1.674 0.000 0.000) 1.674 3.269 ( -4.616 0.000 0.000) 4.616 3.287 ( 3.688 0.000 0.000) 3.688 3.297 ( -3.648 0.000 0.000) 3.648 3.356 ( -1.565 0.000 0.000) 1.565 3.492 ( 2.687 0.000 0.000) 2.687 3.495 ( 3.981 0.000 0.000) 3.981 3.505 ( -0.521 0.000 0.000) 0.521 3.548 ( -0.732 0.000 0.000) 0.732 3.553 ( 0.771 0.000 0.000) 0.771 3.553 ( -0.428 0.000 0.000) 0.428 3.582 ( -3.963 0.000 0.000) 3.963 3.650 ( -7.143 0.000 0.000) 7.143 3.664 ( 3.990 0.000 0.000) 3.990 3.759 ( -4.733 0.000 0.000) 4.733 3.861 ( 5.689 0.000 0.000) 5.689 3.925 ( -0.698 0.000 0.000) 0.698 3.931 ( 5.043 0.000 0.000) 5.043 4.002 ( 0.039 0.000 0.000) 0.039 4.072 ( -3.379 0.000 0.000) 3.379 4.082 ( -2.877 0.000 0.000) 2.877 4.104 ( 2.035 0.000 0.000) 2.035 4.195 ( -3.237 0.000 0.000) 3.237 4.216 ( -0.279 0.000 0.000) 0.279 4.218 ( 0.034 0.000 0.000) 0.034 4.227 ( 2.266 0.000 0.000) 2.266 4.264 ( -0.988 0.000 0.000) 0.988 4.281 ( 3.810 0.000 0.000) 3.810 4.329 ( -0.844 0.000 0.000) 0.844 4.357 ( 1.306 0.000 0.000) 1.306 4.410 ( 2.845 0.000 0.000) 2.845 4.411 ( -2.043 0.000 0.000) 2.043 4.443 ( 0.016 0.000 0.000) 0.016 5.276 ( 3.410 0.000 0.000) 3.410 5.358 ( -2.774 0.000 0.000) 2.774 5.440 ( 1.182 0.000 0.000) 1.182 5.472 ( -2.257 0.000 0.000) 2.257 5.545 ( -0.399 0.000 0.000) 0.399 5.578 ( -2.724 0.000 0.000) 2.724 5.581 ( 3.292 0.000 0.000) 3.292 5.669 ( 3.280 0.000 0.000) 3.280 5.721 ( -9.161 0.000 0.000) 9.161 5.724 ( -1.367 0.000 0.000) 1.367 6.131 ( 2.543 0.000 0.000) 2.543 6.147 ( 0.541 0.000 0.000) 0.541 6.354 ( 3.384 0.000 0.000) 3.384 6.452 ( -4.760 0.000 0.000) 4.760 6.528 ( -0.090 0.000 0.000) 0.090 6.539 ( -1.383 0.000 0.000) 1.383 6.611 ( 6.067 0.000 0.000) 6.067 6.754 ( -6.045 0.000 0.000) 6.045 6.904 ( 1.302 0.000 0.000) 1.302 6.918 ( -0.192 0.000 0.000) 0.192 6.951 ( 1.554 0.000 0.000) 1.554 6.973 ( -0.555 0.000 0.000) 0.555 7.130 ( 11.923 0.000 0.000) 11.923 7.177 ( 1.873 0.000 0.000) 1.873 7.217 ( -2.484 0.000 0.000) 2.484 7.336 ( -4.059 0.000 0.000) 4.059 7.992 ( 0.195 0.000 0.000) 0.195 8.036 ( -3.686 0.000 0.000) 3.686 8.512 ( 0.904 0.000 0.000) 0.904 8.536 ( -1.013 0.000 0.000) 1.013 8.959 ( 3.182 0.000 0.000) 3.182 9.055 ( -5.184 0.000 0.000) 5.184 9.122 ( 2.161 0.000 0.000) 2.161 9.174 ( -2.108 0.000 0.000) 2.108 9.176 ( 0.604 0.000 0.000) 0.604 9.189 ( -0.413 0.000 0.000) 0.413 9.370 ( 0.567 0.000 0.000) 0.567 9.382 ( -0.243 0.000 0.000) 0.243 9.426 ( 6.841 0.000 0.000) 6.841 9.575 ( -5.781 0.000 0.000) 5.781 9.683 ( 2.656 0.000 0.000) 2.656 9.748 ( 3.888 0.000 0.000) 3.888 9.760 ( -3.999 0.000 0.000) 3.999 9.850 ( -5.075 0.000 0.000) 5.075 9.967 ( 2.735 0.000 0.000) 2.735 10.012 ( -1.279 0.000 0.000) 1.279 10.233 ( 6.175 0.000 0.000) 6.175 10.369 ( -5.460 0.000 0.000) 5.460 10.739 ( 0.212 0.000 0.000) 0.212 10.749 ( -0.557 0.000 0.000) 0.557 10.819 ( 2.396 0.000 0.000) 2.396 10.860 ( -1.123 0.000 0.000) 1.123 ======================= Grid point 3 (3/30) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 19.141 0.000) 19.141 0.419 ( 0.000 19.630 0.000) 19.630 0.625 ( 0.000 28.191 0.000) 28.191 1.153 ( 0.000 3.536 0.000) 3.536 1.224 ( 0.000 2.724 0.000) 2.724 1.266 ( 0.000 -1.290 0.000) 1.290 1.349 ( 0.000 -0.388 0.000) 0.388 1.527 ( 0.000 -6.985 0.000) 6.985 1.675 ( 0.000 -11.921 0.000) 11.921 1.721 ( 0.000 -0.954 0.000) 0.954 1.741 ( 0.000 1.792 0.000) 1.792 1.744 ( 0.000 -6.508 0.000) 6.508 1.879 ( 0.000 7.109 0.000) 7.109 1.901 ( 0.000 4.972 0.000) 4.972 1.991 ( 0.000 1.042 0.000) 1.042 1.996 ( 0.000 -4.661 0.000) 4.661 2.042 ( 0.000 -9.569 0.000) 9.569 2.090 ( 0.000 3.358 0.000) 3.358 2.110 ( 0.000 0.473 0.000) 0.473 2.255 ( 0.000 -8.724 0.000) 8.724 2.298 ( 0.000 -3.023 0.000) 3.023 2.356 ( 0.000 2.490 0.000) 2.490 2.380 ( 0.000 -2.516 0.000) 2.516 2.515 ( 0.000 0.449 0.000) 0.449 2.582 ( 0.000 -1.116 0.000) 1.116 2.630 ( 0.000 -1.515 0.000) 1.515 2.671 ( 0.000 -3.459 0.000) 3.459 2.784 ( 0.000 -4.855 0.000) 4.855 2.788 ( 0.000 5.203 0.000) 5.203 2.869 ( 0.000 7.301 0.000) 7.301 2.967 ( 0.000 -1.051 0.000) 1.051 2.973 ( 0.000 0.619 0.000) 0.619 3.063 ( 0.000 -4.879 0.000) 4.879 3.094 ( 0.000 3.996 0.000) 3.996 3.122 ( 0.000 0.181 0.000) 0.181 3.214 ( 0.000 -7.826 0.000) 7.826 3.224 ( 0.000 5.539 0.000) 5.539 3.263 ( 0.000 -0.726 0.000) 0.726 3.294 ( 0.000 -0.545 0.000) 0.545 3.363 ( 0.000 -9.581 0.000) 9.581 3.395 ( 0.000 -4.230 0.000) 4.230 3.429 ( 0.000 -1.832 0.000) 1.832 3.454 ( 0.000 -5.595 0.000) 5.595 3.476 ( 0.000 7.789 0.000) 7.789 3.605 ( 0.000 4.524 0.000) 4.524 3.606 ( 0.000 2.164 0.000) 2.164 3.622 ( 0.000 -7.519 0.000) 7.519 3.676 ( 0.000 -3.619 0.000) 3.619 3.678 ( 0.000 6.679 0.000) 6.679 3.836 ( 0.000 0.196 0.000) 0.196 3.858 ( 0.000 1.203 0.000) 1.203 3.904 ( 0.000 4.942 0.000) 4.942 3.928 ( 0.000 -0.332 0.000) 0.332 4.012 ( 0.000 0.616 0.000) 0.616 4.058 ( 0.000 -2.024 0.000) 2.024 4.067 ( 0.000 5.571 0.000) 5.571 4.088 ( 0.000 -7.121 0.000) 7.121 4.156 ( 0.000 0.893 0.000) 0.893 4.180 ( 0.000 -0.590 0.000) 0.590 4.189 ( 0.000 -2.880 0.000) 2.880 4.200 ( 0.000 -0.857 0.000) 0.857 4.268 ( 0.000 -3.378 0.000) 3.378 4.338 ( 0.000 -6.228 0.000) 6.228 4.350 ( 0.000 -1.724 0.000) 1.724 4.357 ( 0.000 8.351 0.000) 8.351 4.366 ( 0.000 1.849 0.000) 1.849 4.433 ( 0.000 -1.371 0.000) 1.371 4.579 ( 0.000 1.975 0.000) 1.975 5.288 ( 0.000 4.460 0.000) 4.460 5.455 ( 0.000 5.656 0.000) 5.656 5.504 ( 0.000 -1.711 0.000) 1.711 5.554 ( 0.000 -2.375 0.000) 2.375 5.556 ( 0.000 -0.110 0.000) 0.110 5.599 ( 0.000 8.013 0.000) 8.013 5.630 ( 0.000 0.673 0.000) 0.673 5.711 ( 0.000 -1.821 0.000) 1.821 5.761 ( 0.000 4.258 0.000) 4.258 5.847 ( 0.000 -3.757 0.000) 3.757 6.001 ( 0.000 -3.008 0.000) 3.008 6.052 ( 0.000 -1.126 0.000) 1.126 6.372 ( 0.000 3.948 0.000) 3.948 6.380 ( 0.000 4.660 0.000) 4.660 6.519 ( 0.000 -0.073 0.000) 0.073 6.528 ( 0.000 1.298 0.000) 1.298 6.663 ( 0.000 5.469 0.000) 5.469 6.834 ( 0.000 -0.547 0.000) 0.547 6.874 ( 0.000 1.181 0.000) 1.181 6.919 ( 0.000 -0.021 0.000) 0.021 6.922 ( 0.000 0.619 0.000) 0.619 6.964 ( 0.000 -0.145 0.000) 0.145 7.071 ( 0.000 2.440 0.000) 2.440 7.159 ( 0.000 4.868 0.000) 4.868 7.197 ( 0.000 -5.369 0.000) 5.369 7.916 ( 0.000 1.194 0.000) 1.194 7.916 ( 0.000 -7.506 0.000) 7.506 7.930 ( 0.000 0.619 0.000) 0.619 8.329 ( 0.000 1.523 0.000) 1.523 8.534 ( 0.000 -0.231 0.000) 0.231 8.575 ( 0.000 -6.103 0.000) 6.103 8.913 ( 0.000 -11.078 0.000) 11.078 9.017 ( 0.000 6.587 0.000) 6.587 9.201 ( 0.000 2.680 0.000) 2.680 9.212 ( 0.000 0.169 0.000) 0.169 9.250 ( 0.000 4.680 0.000) 4.680 9.408 ( 0.000 4.194 0.000) 4.194 9.415 ( 0.000 2.423 0.000) 2.423 9.432 ( 0.000 7.017 0.000) 7.017 9.641 ( 0.000 -0.941 0.000) 0.941 9.666 ( 0.000 -0.953 0.000) 0.953 9.853 ( 0.000 2.511 0.000) 2.511 9.882 ( 0.000 -3.058 0.000) 3.058 9.892 ( 0.000 -7.618 0.000) 7.618 9.901 ( 0.000 -2.367 0.000) 2.367 10.114 ( 0.000 -2.631 0.000) 2.631 10.149 ( 0.000 4.903 0.000) 4.903 10.455 ( 0.000 -3.541 0.000) 3.541 10.734 ( 0.000 0.446 0.000) 0.446 10.753 ( 0.000 -0.163 0.000) 0.163 10.776 ( 0.000 -0.421 0.000) 0.421 10.843 ( 0.000 -2.389 0.000) 2.389 ======================= Grid point 4 (4/30) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 12.849 11.115 0.000) 16.989 0.553 ( 12.765 12.615 0.000) 17.947 0.884 ( -15.125 6.815 0.000) 16.589 0.892 ( -16.357 4.072 0.000) 16.856 1.007 ( 23.996 16.905 0.000) 29.353 1.467 ( -9.118 4.933 0.000) 10.367 1.549 ( 9.550 -4.432 0.000) 10.528 1.564 ( 2.309 -4.186 0.000) 4.781 1.573 ( 3.321 -7.972 0.000) 8.636 1.688 ( -0.741 -9.392 0.000) 9.421 1.736 ( -5.172 -2.516 0.000) 5.752 1.742 ( 0.565 1.688 0.000) 1.780 1.797 ( -1.809 2.188 0.000) 2.839 1.835 ( -6.612 0.896 0.000) 6.672 1.963 ( -0.853 2.016 0.000) 2.189 1.978 ( -2.664 2.902 0.000) 3.939 2.045 ( 0.238 -0.544 0.000) 0.593 2.050 ( 0.594 -8.357 0.000) 8.378 2.177 ( 2.068 -2.464 0.000) 3.216 2.210 ( -2.392 -4.919 0.000) 5.470 2.307 ( 3.670 -0.777 0.000) 3.751 2.394 ( -0.481 -0.394 0.000) 0.621 2.462 ( 5.081 0.007 0.000) 5.081 2.482 ( -0.250 0.908 0.000) 0.942 2.540 ( -3.121 -0.696 0.000) 3.198 2.575 ( -4.429 -0.275 0.000) 4.437 2.700 ( 1.945 -6.247 0.000) 6.543 2.747 ( -2.223 -6.914 0.000) 7.263 2.799 ( 1.209 5.500 0.000) 5.631 2.846 ( -2.614 8.573 0.000) 8.962 2.954 ( 1.082 -0.992 0.000) 1.468 2.978 ( -0.100 0.156 0.000) 0.186 3.077 ( 1.165 -2.427 0.000) 2.693 3.099 ( -1.425 -0.650 0.000) 1.566 3.154 ( 4.059 -0.455 0.000) 4.084 3.235 ( -0.695 -2.249 0.000) 2.354 3.263 ( -0.248 -5.321 0.000) 5.327 3.271 ( 1.320 -1.550 0.000) 2.036 3.285 ( 4.367 5.457 0.000) 6.989 3.350 ( -1.400 -7.586 0.000) 7.714 3.377 ( -3.737 -0.023 0.000) 3.737 3.404 ( -5.322 4.200 0.000) 6.780 3.428 ( 2.636 -5.145 0.000) 5.781 3.470 ( 0.115 -6.299 0.000) 6.300 3.557 ( -1.870 -3.432 0.000) 3.908 3.569 ( -1.781 -0.952 0.000) 2.020 3.619 ( 1.394 0.897 0.000) 1.657 3.658 ( -1.645 0.090 0.000) 1.647 3.747 ( 3.276 7.858 0.000) 8.513 3.819 ( -3.152 7.318 0.000) 7.968 3.918 ( 1.182 1.682 0.000) 2.056 3.925 ( 0.385 0.147 0.000) 0.412 3.975 ( 6.695 2.246 0.000) 7.061 4.014 ( -0.091 -1.214 0.000) 1.217 4.041 ( 0.165 -2.440 0.000) 2.446 4.058 ( 2.243 -2.535 0.000) 3.385 4.113 ( -2.443 -0.600 0.000) 2.515 4.144 ( -3.461 -4.000 0.000) 5.290 4.180 ( 2.104 -1.957 0.000) 2.874 4.195 ( 0.640 -1.660 0.000) 1.779 4.238 ( 1.929 -0.110 0.000) 1.932 4.246 ( -0.662 -0.256 0.000) 0.709 4.309 ( -1.326 -2.852 0.000) 3.146 4.325 ( -0.763 -0.243 0.000) 0.801 4.337 ( -1.956 4.258 0.000) 4.686 4.340 ( -1.267 -0.297 0.000) 1.301 4.494 ( 3.138 1.339 0.000) 3.412 4.541 ( -1.619 4.484 0.000) 4.767 5.325 ( 3.342 4.099 0.000) 5.289 5.417 ( -3.719 4.703 0.000) 5.996 5.497 ( 0.000 0.869 0.000) 0.869 5.527 ( -3.140 2.904 0.000) 4.277 5.549 ( 1.519 0.476 0.000) 1.592 5.590 ( 2.895 1.126 0.000) 3.106 5.609 ( -2.552 3.725 0.000) 4.516 5.702 ( -6.629 -0.874 0.000) 6.686 5.707 ( 0.115 4.234 0.000) 4.236 5.722 ( -1.302 -0.135 0.000) 1.309 6.118 ( 2.447 -2.374 0.000) 3.410 6.119 ( 2.774 -4.730 0.000) 5.483 6.402 ( 3.509 4.210 0.000) 5.481 6.462 ( 3.770 -0.159 0.000) 3.773 6.490 ( -3.313 2.197 0.000) 3.975 6.520 ( -1.696 0.583 0.000) 1.794 6.678 ( 4.493 5.308 0.000) 6.954 6.809 ( -5.543 3.174 0.000) 6.387 6.892 ( 2.165 -0.798 0.000) 2.308 6.917 ( -0.445 -0.104 0.000) 0.457 6.938 ( 1.311 -0.163 0.000) 1.321 6.960 ( -0.515 -0.496 0.000) 0.715 7.134 ( 2.858 -3.750 0.000) 4.715 7.184 ( -1.607 -4.304 0.000) 4.594 7.253 ( 9.883 9.686 0.000) 13.838 7.508 ( -13.189 11.470 0.000) 17.479 7.918 ( 0.824 -6.802 0.000) 6.852 7.981 ( -4.229 -4.756 0.000) 6.364 8.459 ( 3.545 -2.445 0.000) 4.306 8.514 ( -1.732 -0.718 0.000) 1.875 8.773 ( 9.756 -15.149 0.000) 18.019 8.893 ( -2.255 -12.560 0.000) 12.761 9.053 ( 3.117 5.707 0.000) 6.503 9.141 ( -4.403 4.725 0.000) 6.458 9.211 ( 0.042 0.774 0.000) 0.775 9.221 ( -0.950 2.163 0.000) 2.363 9.415 ( 0.364 3.753 0.000) 3.770 9.417 ( 0.135 2.944 0.000) 2.947 9.559 ( 8.643 6.602 0.000) 10.876 9.671 ( 2.257 -0.560 0.000) 2.326 9.704 ( 2.330 -0.156 0.000) 2.336 9.761 ( -4.427 -0.288 0.000) 4.436 9.787 ( -6.990 -0.436 0.000) 7.004 9.821 ( -4.901 -2.574 0.000) 5.536 9.973 ( 4.185 1.230 0.000) 4.362 10.065 ( -4.494 5.610 0.000) 7.188 10.205 ( 6.264 -2.610 0.000) 6.786 10.350 ( -6.506 -2.145 0.000) 6.850 10.740 ( 0.285 0.206 0.000) 0.352 10.748 ( -0.396 0.010 0.000) 0.396 10.798 ( 1.822 -1.464 0.000) 2.338 10.832 ( -1.041 -2.272 0.000) 2.499 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 20.114 0.000) 20.114 0.811 ( 0.000 17.553 0.000) 17.553 1.072 ( 0.000 4.629 0.000) 4.629 1.173 ( 0.000 -11.924 0.000) 11.924 1.222 ( 0.000 -3.277 0.000) 3.277 1.236 ( 0.000 3.067 0.000) 3.067 1.294 ( 0.000 4.028 0.000) 4.028 1.420 ( 0.000 -8.696 0.000) 8.696 1.536 ( 0.000 7.203 0.000) 7.203 1.647 ( 0.000 -1.245 0.000) 1.245 1.679 ( 0.000 -2.709 0.000) 2.709 1.735 ( 0.000 -5.957 0.000) 5.957 1.880 ( 0.000 -3.407 0.000) 3.407 1.890 ( 0.000 -3.789 0.000) 3.789 1.978 ( 0.000 2.626 0.000) 2.626 1.984 ( 0.000 1.929 0.000) 1.929 1.998 ( 0.000 -0.171 0.000) 0.171 2.074 ( 0.000 -7.488 0.000) 7.488 2.161 ( 0.000 3.885 0.000) 3.885 2.162 ( 0.000 4.060 0.000) 4.060 2.267 ( 0.000 -1.146 0.000) 1.146 2.303 ( 0.000 -4.603 0.000) 4.603 2.386 ( 0.000 1.707 0.000) 1.707 2.457 ( 0.000 -4.662 0.000) 4.662 2.558 ( 0.000 -0.199 0.000) 0.199 2.591 ( 0.000 -3.201 0.000) 3.201 2.643 ( 0.000 2.564 0.000) 2.564 2.706 ( 0.000 -2.923 0.000) 2.923 2.877 ( 0.000 3.121 0.000) 3.121 2.943 ( 0.000 -3.319 0.000) 3.319 2.958 ( 0.000 1.062 0.000) 1.062 2.981 ( 0.000 -1.820 0.000) 1.820 2.997 ( 0.000 3.941 0.000) 3.941 3.117 ( 0.000 -8.296 0.000) 8.296 3.122 ( 0.000 0.263 0.000) 0.263 3.131 ( 0.000 -0.753 0.000) 0.753 3.230 ( 0.000 8.449 0.000) 8.449 3.266 ( 0.000 -0.230 0.000) 0.230 3.303 ( 0.000 -3.276 0.000) 3.276 3.319 ( 0.000 2.429 0.000) 2.429 3.374 ( 0.000 0.673 0.000) 0.673 3.377 ( 0.000 -2.767 0.000) 2.767 3.394 ( 0.000 0.448 0.000) 0.448 3.468 ( 0.000 -5.817 0.000) 5.817 3.559 ( 0.000 -1.077 0.000) 1.077 3.651 ( 0.000 -2.736 0.000) 2.736 3.659 ( 0.000 3.769 0.000) 3.769 3.675 ( 0.000 8.708 0.000) 8.708 3.729 ( 0.000 -2.593 0.000) 2.593 3.828 ( 0.000 -3.566 0.000) 3.566 3.857 ( 0.000 1.016 0.000) 1.016 3.882 ( 0.000 -2.757 0.000) 2.757 3.998 ( 0.000 0.440 0.000) 0.440 4.008 ( 0.000 4.180 0.000) 4.180 4.027 ( 0.000 -0.248 0.000) 0.248 4.045 ( 0.000 -1.464 0.000) 1.464 4.128 ( 0.000 -2.329 0.000) 2.329 4.134 ( 0.000 1.914 0.000) 1.914 4.158 ( 0.000 -2.834 0.000) 2.834 4.201 ( 0.000 5.083 0.000) 5.083 4.205 ( 0.000 -3.283 0.000) 3.283 4.223 ( 0.000 1.900 0.000) 1.900 4.244 ( 0.000 -0.819 0.000) 0.819 4.293 ( 0.000 -3.593 0.000) 3.593 4.383 ( 0.000 -0.177 0.000) 0.177 4.393 ( 0.000 -1.752 0.000) 1.752 4.503 ( 0.000 5.373 0.000) 5.373 4.580 ( 0.000 -1.952 0.000) 1.952 5.391 ( 0.000 4.588 0.000) 4.588 5.463 ( 0.000 -2.401 0.000) 2.401 5.526 ( 0.000 -0.151 0.000) 0.151 5.541 ( 0.000 -1.118 0.000) 1.118 5.577 ( 0.000 5.359 0.000) 5.359 5.661 ( 0.000 -2.885 0.000) 2.885 5.662 ( 0.000 2.625 0.000) 2.625 5.747 ( 0.000 -4.721 0.000) 4.721 5.806 ( 0.000 9.803 0.000) 9.803 5.851 ( 0.000 4.258 0.000) 4.258 5.933 ( 0.000 -3.525 0.000) 3.525 5.981 ( 0.000 -6.048 0.000) 6.048 6.452 ( 0.000 2.726 0.000) 2.726 6.459 ( 0.000 2.126 0.000) 2.126 6.532 ( 0.000 0.967 0.000) 0.967 6.545 ( 0.000 -0.002 0.000) 0.002 6.772 ( 0.000 4.196 0.000) 4.196 6.824 ( 0.000 -0.971 0.000) 0.971 6.904 ( 0.000 1.227 0.000) 1.227 6.917 ( 0.000 -0.245 0.000) 0.245 6.954 ( 0.000 3.098 0.000) 3.098 6.968 ( 0.000 0.919 0.000) 0.919 7.016 ( 0.000 -3.550 0.000) 3.550 7.062 ( 0.000 -6.633 0.000) 6.633 7.407 ( 0.000 14.367 0.000) 14.367 7.698 ( 0.000 -12.780 0.000) 12.780 7.938 ( 0.000 0.725 0.000) 0.725 7.942 ( 0.000 0.350 0.000) 0.350 8.376 ( 0.000 3.042 0.000) 3.042 8.458 ( 0.000 -4.794 0.000) 4.794 8.572 ( 0.000 4.031 0.000) 4.031 8.703 ( 0.000 -8.400 0.000) 8.400 9.141 ( 0.000 4.716 0.000) 4.716 9.204 ( 0.000 -1.356 0.000) 1.356 9.264 ( 0.000 2.937 0.000) 2.937 9.303 ( 0.000 -0.159 0.000) 0.159 9.496 ( 0.000 4.565 0.000) 4.565 9.527 ( 0.000 6.580 0.000) 6.580 9.536 ( 0.000 1.965 0.000) 1.965 9.617 ( 0.000 -1.541 0.000) 1.541 9.650 ( 0.000 0.006 0.000) 0.006 9.727 ( 0.000 -7.512 0.000) 7.512 9.816 ( 0.000 -2.008 0.000) 2.008 9.833 ( 0.000 -2.961 0.000) 2.961 9.937 ( 0.000 4.724 0.000) 4.724 10.038 ( 0.000 -4.509 0.000) 4.509 10.251 ( 0.000 5.026 0.000) 5.026 10.360 ( 0.000 -5.173 0.000) 5.173 10.746 ( 0.000 0.745 0.000) 0.745 10.757 ( 0.000 0.752 0.000) 0.752 10.763 ( 0.000 -0.756 0.000) 0.756 10.790 ( 0.000 -2.297 0.000) 2.297 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 3.785 14.148 0.000) 14.646 0.859 ( 4.957 14.668 0.000) 15.484 0.997 ( -9.470 3.485 0.000) 10.091 1.014 ( -7.422 1.016 0.000) 7.491 1.282 ( 9.373 4.088 0.000) 10.226 1.398 ( -0.195 -7.624 0.000) 7.626 1.401 ( 7.761 -4.758 0.000) 9.103 1.422 ( 3.088 -11.829 0.000) 12.225 1.522 ( -0.221 4.812 0.000) 4.817 1.598 ( -2.836 5.575 0.000) 6.254 1.687 ( -1.725 -2.949 0.000) 3.416 1.688 ( -2.595 -6.141 0.000) 6.667 1.882 ( 0.334 2.965 0.000) 2.984 1.916 ( -3.513 6.340 0.000) 7.248 1.948 ( 3.666 -1.240 0.000) 3.870 1.985 ( 1.083 0.564 0.000) 1.221 2.002 ( 0.008 -1.407 0.000) 1.407 2.059 ( -6.580 2.423 0.000) 7.012 2.082 ( 0.643 -6.475 0.000) 6.507 2.120 ( -2.794 -2.689 0.000) 3.878 2.322 ( 4.797 2.196 0.000) 5.276 2.384 ( -0.616 0.558 0.000) 0.831 2.413 ( 4.697 -5.483 0.000) 7.220 2.443 ( -0.309 -4.301 0.000) 4.312 2.534 ( -0.857 1.570 0.000) 1.789 2.589 ( -4.141 1.884 0.000) 4.549 2.590 ( 0.506 -3.645 0.000) 3.680 2.643 ( -3.927 -3.075 0.000) 4.988 2.889 ( 1.939 2.753 0.000) 3.367 2.942 ( -0.709 1.309 0.000) 1.489 2.947 ( 0.499 -2.902 0.000) 2.944 2.990 ( -3.527 0.564 0.000) 3.572 3.051 ( 3.722 2.452 0.000) 4.457 3.107 ( -1.378 1.794 0.000) 2.263 3.121 ( 2.383 -4.540 0.000) 5.127 3.147 ( 0.722 -2.438 0.000) 2.543 3.208 ( 0.552 1.903 0.000) 1.982 3.255 ( 0.109 -2.283 0.000) 2.286 3.265 ( -3.804 1.884 0.000) 4.245 3.317 ( -4.458 -2.914 0.000) 5.326 3.341 ( 2.857 -0.477 0.000) 2.896 3.391 ( -1.125 -0.603 0.000) 1.276 3.421 ( 1.870 -4.093 0.000) 4.500 3.445 ( -1.019 -5.087 0.000) 5.188 3.532 ( 0.182 6.904 0.000) 6.907 3.583 ( -3.921 8.737 0.000) 9.577 3.671 ( 0.796 1.491 0.000) 1.690 3.680 ( 0.432 -2.281 0.000) 2.322 3.852 ( 5.870 -0.995 0.000) 5.954 3.862 ( 2.362 -3.284 0.000) 4.046 3.894 ( 0.230 -2.093 0.000) 2.106 3.904 ( 3.008 -2.742 0.000) 4.071 3.961 ( -2.247 3.634 0.000) 4.273 3.994 ( -2.610 0.464 0.000) 2.651 4.033 ( 1.114 0.559 0.000) 1.246 4.037 ( -0.527 -3.025 0.000) 3.070 4.087 ( -1.323 1.087 0.000) 1.713 4.111 ( -1.890 2.753 0.000) 3.340 4.172 ( 0.492 -4.876 0.000) 4.900 4.186 ( -0.751 -2.117 0.000) 2.246 4.211 ( -0.071 2.674 0.000) 2.675 4.211 ( 0.052 1.974 0.000) 1.975 4.269 ( 0.694 -2.225 0.000) 2.331 4.282 ( -0.687 -3.166 0.000) 3.240 4.396 ( 2.932 4.474 0.000) 5.349 4.469 ( -2.821 5.919 0.000) 6.557 4.479 ( 4.599 -2.753 0.000) 5.360 4.558 ( -2.237 -2.226 0.000) 3.156 5.414 ( 2.598 3.749 0.000) 4.561 5.475 ( 1.869 -2.133 0.000) 2.835 5.515 ( -5.620 3.845 0.000) 6.809 5.555 ( -4.702 0.064 0.000) 4.702 5.566 ( 3.024 1.266 0.000) 3.278 5.592 ( 3.626 -0.918 0.000) 3.740 5.643 ( -3.843 -0.008 0.000) 3.843 5.670 ( -3.335 -2.176 0.000) 3.982 5.829 ( 0.717 9.191 0.000) 9.219 5.834 ( -0.352 7.102 0.000) 7.111 5.984 ( 2.709 -7.083 0.000) 7.584 6.012 ( 0.608 -7.409 0.000) 7.434 6.482 ( 2.265 2.662 0.000) 3.495 6.498 ( 2.704 1.298 0.000) 3.000 6.525 ( -1.245 1.570 0.000) 2.004 6.543 ( -0.766 0.200 0.000) 0.792 6.804 ( 3.204 5.380 0.000) 6.262 6.872 ( 2.639 -1.500 0.000) 3.036 6.876 ( -2.460 2.741 0.000) 3.683 6.909 ( -0.816 -0.750 0.000) 1.109 6.962 ( 0.431 2.983 0.000) 3.014 6.967 ( -0.088 1.700 0.000) 1.703 7.040 ( 1.829 -4.647 0.000) 4.994 7.066 ( -0.170 -6.150 0.000) 6.152 7.486 ( 7.308 11.860 0.000) 13.931 7.714 ( -12.324 8.203 0.000) 14.804 7.728 ( 3.325 -10.832 0.000) 11.331 7.862 ( -7.758 -6.293 0.000) 9.990 8.461 ( 4.659 2.471 0.000) 5.274 8.543 ( -2.595 3.640 0.000) 4.470 8.557 ( 6.470 -6.841 0.000) 9.416 8.668 ( -3.244 -8.416 0.000) 9.020 9.166 ( 2.169 4.203 0.000) 4.729 9.216 ( 1.164 -0.702 0.000) 1.359 9.228 ( -2.888 3.039 0.000) 4.192 9.257 ( -2.541 0.462 0.000) 2.583 9.509 ( 0.997 5.575 0.000) 5.663 9.524 ( -0.320 6.389 0.000) 6.397 9.610 ( 4.569 -2.266 0.000) 5.100 9.646 ( 2.267 -3.034 0.000) 3.788 9.684 ( 2.749 -0.911 0.000) 2.895 9.705 ( -1.721 -3.945 0.000) 4.305 9.740 ( -4.329 -0.257 0.000) 4.337 9.769 ( -4.213 -2.152 0.000) 4.731 10.035 ( 6.523 4.338 0.000) 7.834 10.130 ( 6.550 -4.315 0.000) 7.843 10.182 ( -5.772 5.093 0.000) 7.698 10.280 ( -6.202 -4.259 0.000) 7.524 10.749 ( 0.216 0.704 0.000) 0.736 10.755 ( -0.223 0.757 0.000) 0.789 10.769 ( 0.605 -1.195 0.000) 1.339 10.784 ( -0.529 -2.020 0.000) 2.088 ======================= Grid point 15 (7/30) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 0.000 16.744) 16.744 0.370 ( 0.000 0.000 18.529) 18.529 0.659 ( 0.000 0.000 31.096) 31.096 1.206 ( 0.000 0.000 8.924) 8.924 1.218 ( 0.000 0.000 3.063) 3.063 1.367 ( 0.000 0.000 6.172) 6.172 1.368 ( 0.000 0.000 2.843) 2.843 1.635 ( 0.000 0.000 0.936) 0.936 1.740 ( 0.000 0.000 1.452) 1.452 1.785 ( 0.000 0.000 -3.656) 3.656 1.800 ( 0.000 0.000 0.968) 0.968 1.805 ( 0.000 0.000 4.656) 4.656 1.847 ( 0.000 0.000 3.749) 3.749 1.855 ( 0.000 0.000 3.786) 3.786 1.991 ( 0.000 0.000 0.319) 0.319 2.001 ( 0.000 0.000 -0.777) 0.777 2.045 ( 0.000 0.000 -5.555) 5.555 2.106 ( 0.000 0.000 4.048) 4.048 2.231 ( 0.000 0.000 -0.811) 0.811 2.304 ( 0.000 0.000 -5.508) 5.508 2.311 ( 0.000 0.000 3.868) 3.868 2.385 ( 0.000 0.000 0.064) 0.064 2.422 ( 0.000 0.000 -2.540) 2.540 2.528 ( 0.000 0.000 4.673) 4.673 2.572 ( 0.000 0.000 -1.483) 1.483 2.630 ( 0.000 0.000 -3.140) 3.140 2.717 ( 0.000 0.000 5.336) 5.336 2.730 ( 0.000 0.000 -0.945) 0.945 2.744 ( 0.000 0.000 -2.521) 2.521 2.896 ( 0.000 0.000 2.871) 2.871 2.914 ( 0.000 0.000 -1.430) 1.430 2.972 ( 0.000 0.000 0.877) 0.877 3.045 ( 0.000 0.000 -3.197) 3.197 3.051 ( 0.000 0.000 0.004) 0.004 3.096 ( 0.000 0.000 -7.668) 7.668 3.135 ( 0.000 0.000 2.179) 2.179 3.209 ( 0.000 0.000 -1.419) 1.419 3.322 ( 0.000 0.000 -2.272) 2.272 3.323 ( 0.000 0.000 -6.366) 6.366 3.338 ( 0.000 0.000 -2.740) 2.740 3.442 ( 0.000 0.000 3.412) 3.412 3.513 ( 0.000 0.000 0.978) 0.978 3.518 ( 0.000 0.000 -3.736) 3.736 3.525 ( 0.000 0.000 0.040) 0.040 3.540 ( 0.000 0.000 -0.756) 0.756 3.588 ( 0.000 0.000 0.133) 0.133 3.637 ( 0.000 0.000 -1.331) 1.331 3.681 ( 0.000 0.000 -0.392) 0.392 3.750 ( 0.000 0.000 2.681) 2.681 3.803 ( 0.000 0.000 0.025) 0.025 3.819 ( 0.000 0.000 3.459) 3.459 3.841 ( 0.000 0.000 0.174) 0.174 3.905 ( 0.000 0.000 -2.210) 2.210 4.043 ( 0.000 0.000 -9.317) 9.317 4.045 ( 0.000 0.000 -5.782) 5.782 4.088 ( 0.000 0.000 0.318) 0.318 4.120 ( 0.000 0.000 -2.001) 2.001 4.139 ( 0.000 0.000 1.432) 1.432 4.150 ( 0.000 0.000 -0.578) 0.578 4.169 ( 0.000 0.000 3.690) 3.690 4.202 ( 0.000 0.000 -2.198) 2.198 4.202 ( 0.000 0.000 -5.921) 5.921 4.248 ( 0.000 0.000 -0.164) 0.164 4.300 ( 0.000 0.000 -3.111) 3.111 4.342 ( 0.000 0.000 -0.413) 0.413 4.349 ( 0.000 0.000 1.045) 1.045 4.383 ( 0.000 0.000 -4.606) 4.606 4.488 ( 0.000 0.000 3.041) 3.041 5.285 ( 0.000 0.000 4.187) 4.187 5.404 ( 0.000 0.000 1.632) 1.632 5.455 ( 0.000 0.000 2.480) 2.480 5.556 ( 0.000 0.000 2.680) 2.680 5.572 ( 0.000 0.000 1.765) 1.765 5.610 ( 0.000 0.000 1.029) 1.029 5.623 ( 0.000 0.000 3.353) 3.353 5.641 ( 0.000 0.000 2.898) 2.898 5.685 ( 0.000 0.000 -1.658) 1.658 5.737 ( 0.000 0.000 0.396) 0.396 5.899 ( 0.000 0.000 0.246) 0.246 6.286 ( 0.000 0.000 -1.884) 1.884 6.350 ( 0.000 0.000 -5.378) 5.378 6.371 ( 0.000 0.000 4.267) 4.267 6.570 ( 0.000 0.000 3.433) 3.433 6.588 ( 0.000 0.000 0.549) 0.549 6.806 ( 0.000 0.000 -2.866) 2.866 6.834 ( 0.000 0.000 0.770) 0.770 6.847 ( 0.000 0.000 -1.215) 1.215 6.888 ( 0.000 0.000 -2.642) 2.642 6.907 ( 0.000 0.000 -3.365) 3.365 6.937 ( 0.000 0.000 -2.674) 2.674 6.996 ( 0.000 0.000 1.152) 1.152 7.198 ( 0.000 0.000 0.836) 0.836 7.230 ( 0.000 0.000 1.245) 1.245 7.763 ( 0.000 0.000 -14.837) 14.837 8.010 ( 0.000 0.000 0.972) 0.972 8.304 ( 0.000 0.000 0.383) 0.383 8.348 ( 0.000 0.000 -4.160) 4.160 8.531 ( 0.000 0.000 2.717) 2.717 8.583 ( 0.000 0.000 3.229) 3.229 8.735 ( 0.000 0.000 -12.278) 12.278 8.926 ( 0.000 0.000 -11.053) 11.053 9.131 ( 0.000 0.000 3.354) 3.354 9.226 ( 0.000 0.000 2.499) 2.499 9.329 ( 0.000 0.000 9.911) 9.911 9.403 ( 0.000 0.000 3.041) 3.041 9.444 ( 0.000 0.000 9.571) 9.571 9.456 ( 0.000 0.000 5.330) 5.330 9.511 ( 0.000 0.000 -10.489) 10.489 9.611 ( 0.000 0.000 -3.808) 3.808 9.811 ( 0.000 0.000 -1.398) 1.398 9.857 ( 0.000 0.000 4.896) 4.896 9.886 ( 0.000 0.000 -2.883) 2.883 9.916 ( 0.000 0.000 -0.496) 0.496 9.999 ( 0.000 0.000 -2.603) 2.603 10.081 ( 0.000 0.000 2.741) 2.741 10.699 ( 0.000 0.000 -4.116) 4.116 10.751 ( 0.000 0.000 2.034) 2.034 10.770 ( 0.000 0.000 1.283) 1.283 10.827 ( 0.000 0.000 2.389) 2.389 10.878 ( 0.000 0.000 0.558) 0.558 ======================= Grid point 16 (8/30) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 15.073 0.000 10.073) 18.130 0.572 ( 14.890 0.000 12.137) 19.210 0.883 ( -17.468 0.000 7.487) 19.004 0.931 ( -16.423 0.000 7.329) 17.984 1.017 ( 21.992 0.000 19.261) 29.234 1.443 ( -9.659 0.000 3.985) 10.449 1.570 ( 8.746 0.000 0.237) 8.749 1.659 ( 2.585 0.000 7.361) 7.801 1.700 ( -4.190 0.000 -1.754) 4.542 1.716 ( 3.843 0.000 1.118) 4.003 1.760 ( 2.511 0.000 3.235) 4.095 1.832 ( -1.490 0.000 0.187) 1.502 1.843 ( -5.335 0.000 1.759) 5.618 1.877 ( -6.272 0.000 1.130) 6.373 1.886 ( 2.315 0.000 3.131) 3.894 1.961 ( -4.346 0.000 2.476) 5.002 2.088 ( 3.500 0.000 2.763) 4.459 2.134 ( 4.842 0.000 -4.627) 6.697 2.198 ( -4.301 0.000 0.610) 4.344 2.221 ( -3.247 0.000 -4.180) 5.293 2.373 ( 2.144 0.000 3.351) 3.978 2.407 ( -0.726 0.000 -0.509) 0.887 2.434 ( 3.846 0.000 -1.092) 3.998 2.519 ( -3.525 0.000 -1.382) 3.786 2.537 ( 1.788 0.000 5.615) 5.893 2.623 ( -5.122 0.000 3.791) 6.372 2.668 ( 2.244 0.000 -2.980) 3.731 2.712 ( -1.544 0.000 -1.768) 2.347 2.795 ( 1.926 0.000 -2.286) 2.989 2.844 ( -2.768 0.000 -0.920) 2.917 2.936 ( 1.568 0.000 -1.681) 2.299 2.964 ( -0.725 0.000 -0.720) 1.022 3.049 ( 0.577 0.000 -2.685) 2.746 3.080 ( -1.994 0.000 -3.896) 4.376 3.147 ( 5.847 0.000 -0.501) 5.869 3.184 ( 5.220 0.000 -0.428) 5.237 3.257 ( 0.713 0.000 -2.515) 2.614 3.263 ( -1.378 0.000 -0.763) 1.575 3.316 ( -5.240 0.000 -1.192) 5.374 3.327 ( -1.973 0.000 -2.086) 2.871 3.399 ( 2.910 0.000 -3.195) 4.321 3.480 ( -3.088 0.000 -4.483) 5.444 3.504 ( -0.297 0.000 0.148) 0.332 3.536 ( -3.077 0.000 1.160) 3.289 3.576 ( 2.745 0.000 0.295) 2.761 3.601 ( 4.800 0.000 2.863) 5.589 3.635 ( 0.475 0.000 -2.265) 2.314 3.660 ( -0.629 0.000 3.534) 3.590 3.709 ( -4.900 0.000 2.903) 5.696 3.748 ( -5.676 0.000 0.989) 5.762 3.860 ( 5.301 0.000 -0.359) 5.313 3.889 ( 3.337 0.000 -1.227) 3.555 3.905 ( 0.496 0.000 -1.421) 1.505 3.966 ( -3.574 0.000 -4.687) 5.894 4.083 ( 0.574 0.000 -1.771) 1.862 4.096 ( -0.093 0.000 3.128) 3.130 4.119 ( 0.855 0.000 0.416) 0.951 4.150 ( 1.898 0.000 -6.162) 6.448 4.188 ( -1.372 0.000 -1.595) 2.104 4.195 ( -1.337 0.000 -6.329) 6.469 4.216 ( 1.873 0.000 0.888) 2.072 4.221 ( -0.080 0.000 -1.336) 1.338 4.240 ( 2.083 0.000 -2.778) 3.472 4.300 ( -2.728 0.000 -2.728) 3.858 4.355 ( 4.407 0.000 -2.543) 5.089 4.366 ( 1.901 0.000 0.718) 2.032 4.399 ( -0.247 0.000 -0.853) 0.888 4.450 ( -3.357 0.000 0.631) 3.416 5.329 ( 3.694 0.000 4.521) 5.838 5.401 ( -1.234 0.000 3.096) 3.333 5.463 ( 0.577 0.000 1.737) 1.830 5.498 ( -3.418 0.000 2.151) 4.039 5.578 ( -0.245 0.000 2.663) 2.674 5.581 ( 3.273 0.000 0.276) 3.285 5.606 ( -2.031 0.000 3.121) 3.724 5.687 ( 2.856 0.000 1.692) 3.320 5.727 ( -9.340 0.000 -0.016) 9.340 5.733 ( -1.026 0.000 0.742) 1.266 5.977 ( 15.482 0.000 -6.736) 16.884 6.232 ( -7.231 0.000 -1.028) 7.303 6.359 ( 4.561 0.000 2.333) 5.123 6.426 ( 0.050 0.000 3.223) 3.223 6.561 ( 0.711 0.000 1.591) 1.743 6.629 ( 4.685 0.000 1.750) 5.001 6.695 ( -9.932 0.000 4.141) 10.761 6.740 ( -4.685 0.000 -1.137) 4.821 6.871 ( 1.567 0.000 -2.245) 2.738 6.899 ( -0.986 0.000 -1.762) 2.019 6.928 ( 2.451 0.000 -1.959) 3.138 6.976 ( -1.671 0.000 0.096) 1.674 7.057 ( 9.049 0.000 -6.400) 11.084 7.205 ( -0.712 0.000 1.417) 1.585 7.238 ( 0.704 0.000 -2.103) 2.217 7.364 ( -15.522 0.000 1.546) 15.599 7.988 ( 0.199 0.000 -0.598) 0.630 8.026 ( -3.062 0.000 -0.038) 3.063 8.543 ( 1.000 0.000 2.819) 2.991 8.569 ( -1.141 0.000 3.070) 3.275 8.737 ( 2.827 0.000 -13.902) 14.187 8.775 ( 0.246 0.000 -14.132) 14.134 9.137 ( 14.791 0.000 -11.747) 18.889 9.156 ( 2.031 0.000 3.225) 3.811 9.204 ( -1.879 0.000 2.792) 3.365 9.348 ( 0.588 0.000 8.645) 8.665 9.358 ( -3.953 0.000 -0.150) 3.956 9.401 ( -3.171 0.000 8.170) 8.764 9.456 ( 0.973 0.000 2.872) 3.032 9.490 ( -1.728 0.000 -4.269) 4.606 9.646 ( 3.021 0.000 -3.420) 4.563 9.734 ( -4.548 0.000 -2.467) 5.174 9.837 ( 0.595 0.000 4.995) 5.031 9.884 ( -2.795 0.000 1.840) 3.346 9.942 ( 2.787 0.000 -2.393) 3.673 9.986 ( -1.209 0.000 -2.511) 2.787 10.234 ( 10.195 0.000 1.402) 10.291 10.482 ( -12.443 0.000 3.309) 12.875 10.760 ( 0.408 0.000 1.948) 1.991 10.769 ( -0.284 0.000 1.750) 1.773 10.837 ( 1.408 0.000 1.441) 2.015 10.869 ( -1.062 0.000 0.667) 1.254 ======================= Grid point 18 (9/30) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 14.470 9.737) 17.441 0.545 ( 0.000 12.416 12.068) 17.315 0.872 ( 0.000 17.711 20.005) 26.718 1.220 ( 0.000 0.832 6.704) 6.756 1.270 ( 0.000 3.894 4.038) 5.610 1.320 ( 0.000 -1.483 5.221) 5.427 1.392 ( 0.000 1.983 4.602) 5.011 1.503 ( 0.000 -8.903 1.055) 8.965 1.637 ( 0.000 -9.744 -1.824) 9.913 1.740 ( 0.000 -3.599 1.081) 3.758 1.748 ( 0.000 -1.846 1.306) 2.261 1.829 ( 0.000 -0.381 5.544) 5.557 1.926 ( 0.000 5.468 2.953) 6.215 1.933 ( 0.000 3.684 2.513) 4.460 1.964 ( 0.000 -0.136 -1.295) 1.302 1.985 ( 0.000 -2.307 -2.091) 3.113 2.054 ( 0.000 -0.568 -1.208) 1.335 2.070 ( 0.000 -1.983 3.688) 4.187 2.218 ( 0.000 -2.691 3.639) 4.526 2.251 ( 0.000 -6.164 -0.854) 6.222 2.276 ( 0.000 -1.306 -1.687) 2.134 2.290 ( 0.000 1.224 -0.643) 1.383 2.480 ( 0.000 -4.136 5.282) 6.709 2.497 ( 0.000 2.217 -0.816) 2.362 2.562 ( 0.000 -1.755 -0.228) 1.770 2.654 ( 0.000 -5.604 -4.022) 6.898 2.691 ( 0.000 -0.097 4.247) 4.248 2.701 ( 0.000 2.679 -1.387) 3.017 2.818 ( 0.000 5.703 -2.814) 6.359 2.881 ( 0.000 0.012 2.461) 2.461 2.924 ( 0.000 1.336 -0.491) 1.424 3.018 ( 0.000 1.957 0.074) 1.959 3.019 ( 0.000 -2.505 -3.796) 4.548 3.077 ( 0.000 2.359 -0.516) 2.415 3.105 ( 0.000 -3.168 -0.323) 3.185 3.175 ( 0.000 4.734 -4.117) 6.274 3.221 ( 0.000 -6.016 -0.793) 6.068 3.227 ( 0.000 0.639 -2.057) 2.154 3.325 ( 0.000 -1.337 0.386) 1.391 3.348 ( 0.000 -2.760 -2.895) 4.000 3.359 ( 0.000 -4.510 0.693) 4.563 3.379 ( 0.000 -4.091 -4.339) 5.963 3.445 ( 0.000 -6.714 -1.387) 6.856 3.458 ( 0.000 2.134 -1.429) 2.568 3.610 ( 0.000 1.668 0.721) 1.817 3.619 ( 0.000 3.917 0.825) 4.002 3.653 ( 0.000 -3.140 -1.287) 3.394 3.685 ( 0.000 -7.858 1.950) 8.096 3.692 ( 0.000 5.717 0.302) 5.725 3.810 ( 0.000 3.004 -0.444) 3.037 3.876 ( 0.000 -0.436 -0.258) 0.506 3.879 ( 0.000 1.850 -2.048) 2.760 3.896 ( 0.000 -0.233 -1.238) 1.260 3.996 ( 0.000 -4.745 -6.581) 8.113 4.027 ( 0.000 0.773 0.975) 1.244 4.052 ( 0.000 -4.609 -1.617) 4.884 4.071 ( 0.000 0.313 -0.490) 0.581 4.137 ( 0.000 2.283 -3.220) 3.948 4.152 ( 0.000 -0.360 -0.656) 0.749 4.175 ( 0.000 -3.155 -0.282) 3.167 4.211 ( 0.000 0.368 -9.804) 9.811 4.231 ( 0.000 -0.247 2.083) 2.097 4.272 ( 0.000 -4.285 -4.402) 6.143 4.322 ( 0.000 -1.726 -0.083) 1.728 4.322 ( 0.000 5.630 -0.505) 5.653 4.377 ( 0.000 1.096 -1.242) 1.657 4.429 ( 0.000 7.334 3.328) 8.054 4.612 ( 0.000 6.309 2.825) 6.913 5.313 ( 0.000 2.460 2.393) 3.432 5.426 ( 0.000 0.325 -0.475) 0.576 5.525 ( 0.000 -2.498 -0.684) 2.590 5.538 ( 0.000 -1.679 0.389) 1.723 5.579 ( 0.000 2.349 -5.237) 5.740 5.631 ( 0.000 3.915 6.102) 7.250 5.667 ( 0.000 1.189 0.460) 1.275 5.680 ( 0.000 2.739 1.071) 2.941 5.731 ( 0.000 7.817 -2.054) 8.082 5.792 ( 0.000 3.848 1.928) 4.304 5.880 ( 0.000 -1.338 2.309) 2.668 6.246 ( 0.000 -4.813 0.769) 4.874 6.364 ( 0.000 2.067 -3.472) 4.040 6.410 ( 0.000 3.230 3.440) 4.719 6.554 ( 0.000 0.040 3.287) 3.287 6.653 ( 0.000 4.250 -0.643) 4.298 6.687 ( 0.000 -5.780 7.248) 9.270 6.839 ( 0.000 -0.285 0.377) 0.473 6.855 ( 0.000 0.874 -1.911) 2.102 6.869 ( 0.000 -2.064 -2.760) 3.447 6.899 ( 0.000 0.544 -1.897) 1.974 6.951 ( 0.000 1.651 -1.254) 2.073 7.084 ( 0.000 9.299 -4.249) 10.223 7.140 ( 0.000 -5.394 -1.868) 5.708 7.213 ( 0.000 -1.940 6.220) 6.515 7.769 ( 0.000 -0.149 -13.919) 13.920 7.933 ( 0.000 -6.523 0.251) 6.528 8.022 ( 0.000 -10.682 5.021) 11.803 8.317 ( 0.000 1.190 0.084) 1.193 8.529 ( 0.000 -5.022 -3.141) 5.923 8.542 ( 0.000 -1.685 0.492) 1.755 8.763 ( 0.000 -0.930 -9.860) 9.904 9.040 ( 0.000 8.379 -7.141) 11.009 9.041 ( 0.000 -1.642 2.454) 2.952 9.299 ( 0.000 3.282 1.445) 3.586 9.363 ( 0.000 4.163 5.283) 6.726 9.390 ( 0.000 -4.910 3.912) 6.278 9.479 ( 0.000 2.724 5.622) 6.247 9.489 ( 0.000 4.140 0.759) 4.209 9.634 ( 0.000 1.076 -0.239) 1.102 9.661 ( 0.000 4.684 -3.684) 5.959 9.829 ( 0.000 -2.083 -3.088) 3.725 9.839 ( 0.000 -1.703 -1.543) 2.298 9.851 ( 0.000 -1.478 -0.680) 1.627 9.952 ( 0.000 4.421 -4.696) 6.450 9.958 ( 0.000 -2.782 2.959) 4.061 10.142 ( 0.000 4.232 -0.580) 4.271 10.570 ( 0.000 -9.403 2.047) 9.623 10.754 ( 0.000 0.229 1.823) 1.838 10.762 ( 0.000 -0.242 0.937) 0.967 10.803 ( 0.000 -0.943 2.580) 2.747 10.853 ( 0.000 -2.091 0.880) 2.268 ======================= Grid point 19 (10/30) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 10.719 11.886 8.658) 18.197 0.687 ( 11.101 9.081 10.282) 17.647 0.943 ( -14.991 5.513 6.649) 17.302 0.988 ( -14.556 4.870 7.656) 17.152 1.146 ( 17.855 10.309 12.529) 24.126 1.450 ( -2.951 0.008 0.425) 2.981 1.546 ( 4.619 -5.729 0.240) 7.363 1.582 ( 4.450 -5.002 2.373) 7.103 1.632 ( -1.555 -2.408 5.190) 5.929 1.696 ( 3.483 -5.378 0.727) 6.448 1.722 ( -2.164 -4.920 1.220) 5.511 1.816 ( -2.148 3.342 2.594) 4.745 1.833 ( -2.797 2.374 3.557) 5.110 1.877 ( -6.187 -0.071 3.509) 7.113 1.937 ( 0.088 0.366 0.033) 0.378 1.987 ( -4.282 1.347 -0.122) 4.490 2.057 ( 1.596 -2.196 3.140) 4.151 2.087 ( 1.836 -1.987 0.838) 2.832 2.174 ( -1.240 -2.595 -1.954) 3.477 2.192 ( -1.618 -3.026 -0.364) 3.451 2.321 ( 3.387 -2.291 0.439) 4.113 2.380 ( -0.210 -0.209 -0.242) 0.382 2.476 ( 2.791 1.333 0.342) 3.112 2.529 ( 1.746 -1.922 3.814) 4.614 2.535 ( -1.380 0.371 1.048) 1.772 2.619 ( -3.794 0.569 3.484) 5.182 2.695 ( 1.606 -4.147 -1.989) 4.872 2.724 ( 0.741 0.274 -0.954) 1.238 2.803 ( -0.731 5.439 -2.441) 6.006 2.826 ( -3.306 1.483 0.693) 3.689 2.941 ( 1.210 0.696 -1.419) 1.991 2.971 ( -1.895 0.520 -1.539) 2.496 3.039 ( 1.430 -1.774 -2.715) 3.545 3.079 ( -2.010 -1.156 -1.871) 2.979 3.140 ( 4.722 -0.423 -0.113) 4.742 3.205 ( 0.977 -1.243 -3.817) 4.131 3.245 ( 0.567 -3.510 -0.132) 3.558 3.267 ( 0.483 -0.106 -0.592) 0.771 3.295 ( 1.587 -1.489 -0.157) 2.182 3.303 ( -1.771 -2.472 -1.499) 3.391 3.341 ( -2.523 -1.460 -3.332) 4.427 3.389 ( -3.609 4.005 -1.730) 5.662 3.450 ( 4.436 -7.293 0.805) 8.574 3.481 ( 1.491 -6.091 -0.064) 6.272 3.544 ( -2.678 -1.292 -1.291) 3.242 3.592 ( -5.388 -6.402 1.314) 8.470 3.618 ( 0.935 2.130 0.251) 2.340 3.656 ( -1.341 0.210 -0.773) 1.562 3.754 ( 2.792 6.694 0.881) 7.306 3.811 ( -1.029 4.888 -0.976) 5.089 3.857 ( -0.158 1.524 -3.509) 3.829 3.895 ( -1.768 0.198 -3.628) 4.040 3.971 ( 3.502 -1.086 -2.565) 4.475 3.993 ( 4.640 0.160 -0.696) 4.695 4.051 ( 0.400 -4.943 2.336) 5.481 4.063 ( 0.702 -1.614 -0.357) 1.796 4.082 ( -0.027 -2.644 -3.191) 4.145 4.108 ( -1.415 -2.730 -2.167) 3.762 4.160 ( -1.346 -1.188 -1.858) 2.584 4.176 ( -0.724 0.948 -3.179) 3.396 4.201 ( 1.605 -0.899 -4.029) 4.429 4.243 ( -0.341 -1.982 -1.088) 2.287 4.254 ( -0.707 -0.922 -3.667) 3.847 4.273 ( -0.728 -1.071 -2.529) 2.841 4.362 ( 0.939 3.646 3.360) 5.046 4.399 ( -1.825 6.680 3.363) 7.698 4.469 ( 5.469 3.722 -0.729) 6.656 4.571 ( -3.382 5.844 1.799) 6.987 5.357 ( 3.788 2.082 2.752) 5.124 5.436 ( -0.112 0.831 0.776) 1.142 5.480 ( -3.073 0.588 -1.052) 3.301 5.491 ( -2.939 -0.646 -0.306) 3.025 5.589 ( 3.385 1.519 0.085) 3.711 5.615 ( 0.466 2.418 3.424) 4.218 5.649 ( -1.704 2.461 2.331) 3.794 5.696 ( -1.608 1.468 -0.126) 2.181 5.727 ( -2.071 1.979 3.076) 4.203 5.752 ( -2.999 1.826 1.457) 3.802 5.996 ( 10.887 0.057 -5.385) 12.147 6.194 ( -6.266 -4.539 -0.074) 7.738 6.390 ( 4.533 3.503 0.012) 5.729 6.451 ( 0.888 2.209 2.722) 3.617 6.548 ( -0.622 -0.026 2.607) 2.680 6.610 ( -5.157 -2.960 4.818) 7.653 6.682 ( 4.082 4.189 0.092) 5.850 6.792 ( -4.625 2.590 -1.527) 5.517 6.863 ( 0.965 -0.383 -1.986) 2.241 6.873 ( 0.072 -1.097 -2.862) 3.066 6.938 ( 2.298 0.618 -0.265) 2.394 6.966 ( 0.226 0.472 -0.173) 0.551 7.166 ( 2.155 -3.402 -0.684) 4.085 7.179 ( 4.844 3.370 -2.613) 6.453 7.219 ( 2.933 2.046 1.140) 3.754 7.469 ( -16.144 8.570 -5.247) 19.015 7.911 ( 1.016 -7.166 -0.654) 7.267 7.966 ( -3.319 -5.385 -0.905) 6.390 8.459 ( 3.689 -3.963 0.205) 5.418 8.518 ( -1.963 -2.253 0.184) 2.994 8.676 ( 7.998 -9.421 -7.141) 14.273 8.759 ( -0.858 -3.564 -9.327) 10.021 9.036 ( 0.369 2.734 -2.377) 3.642 9.047 ( -0.194 1.179 -0.210) 1.213 9.339 ( 2.078 -0.073 5.698) 6.066 9.366 ( -0.557 -1.116 6.288) 6.410 9.393 ( 2.191 4.447 0.846) 5.029 9.453 ( -1.890 3.543 3.155) 5.107 9.521 ( 2.894 4.470 -1.844) 5.636 9.622 ( -4.382 6.282 -6.580) 10.097 9.663 ( 2.135 1.399 -1.696) 3.065 9.731 ( -3.341 -0.110 -1.036) 3.499 9.819 ( -2.475 -2.115 2.767) 4.273 9.826 ( -1.496 -4.314 0.557) 4.600 9.960 ( 4.742 2.078 -1.251) 5.326 10.042 ( -1.776 4.556 -1.493) 5.113 10.215 ( 8.083 -1.833 1.056) 8.355 10.424 ( -9.873 -4.978 3.054) 11.471 10.760 ( 0.321 0.069 1.810) 1.840 10.765 ( -0.007 -0.206 1.514) 1.528 10.816 ( 1.182 -1.527 1.591) 2.502 10.843 ( -0.978 -2.090 0.924) 2.486 ======================= Grid point 21 (11/30) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 15.471 4.233) 16.040 0.856 ( 0.000 15.511 4.069) 16.036 1.138 ( 0.000 -4.128 4.684) 6.243 1.152 ( 0.000 -10.391 0.917) 10.431 1.258 ( 0.000 1.148 5.022) 5.152 1.312 ( 0.000 -0.246 5.950) 5.955 1.395 ( 0.000 2.890 6.806) 7.394 1.466 ( 0.000 -4.505 3.603) 5.768 1.541 ( 0.000 9.175 3.322) 9.758 1.655 ( 0.000 -2.937 2.255) 3.703 1.731 ( 0.000 2.038 4.402) 4.851 1.829 ( 0.000 -1.887 4.772) 5.131 1.867 ( 0.000 -3.234 0.658) 3.300 1.915 ( 0.000 -7.814 4.399) 8.967 1.949 ( 0.000 -0.631 -1.015) 1.195 1.970 ( 0.000 -0.605 0.989) 1.159 2.096 ( 0.000 4.868 3.229) 5.841 2.115 ( 0.000 2.107 -0.263) 2.123 2.169 ( 0.000 -0.515 1.574) 1.656 2.171 ( 0.000 -0.804 1.228) 1.468 2.268 ( 0.000 0.154 0.371) 0.402 2.338 ( 0.000 -0.829 2.037) 2.199 2.366 ( 0.000 -2.018 0.106) 2.021 2.471 ( 0.000 -6.075 0.591) 6.104 2.528 ( 0.000 -0.549 0.429) 0.697 2.539 ( 0.000 -1.773 -1.627) 2.407 2.718 ( 0.000 2.384 4.026) 4.679 2.749 ( 0.000 0.635 1.384) 1.522 2.891 ( 0.000 0.796 -1.311) 1.534 2.917 ( 0.000 2.770 -2.561) 3.772 2.937 ( 0.000 -2.111 -2.293) 3.117 2.960 ( 0.000 -2.624 -0.232) 2.634 3.014 ( 0.000 0.908 2.970) 3.105 3.041 ( 0.000 -1.012 -1.797) 2.062 3.140 ( 0.000 -1.008 -1.405) 1.729 3.166 ( 0.000 -3.634 -1.997) 4.146 3.177 ( 0.000 5.617 -4.242) 7.038 3.255 ( 0.000 0.525 0.832) 0.984 3.271 ( 0.000 -2.010 -0.763) 2.150 3.287 ( 0.000 -3.287 -4.867) 5.873 3.331 ( 0.000 0.817 -0.454) 0.935 3.357 ( 0.000 -0.034 -2.195) 2.195 3.374 ( 0.000 0.408 -1.828) 1.873 3.488 ( 0.000 -5.824 -0.479) 5.844 3.544 ( 0.000 2.105 0.087) 2.107 3.645 ( 0.000 3.921 -3.160) 5.036 3.654 ( 0.000 -3.275 -0.321) 3.291 3.688 ( 0.000 5.661 2.068) 6.026 3.727 ( 0.000 -2.645 -1.920) 3.269 3.817 ( 0.000 -4.977 0.468) 4.999 3.855 ( 0.000 0.859 -0.403) 0.949 3.859 ( 0.000 -0.981 -1.638) 1.909 3.949 ( 0.000 4.116 -4.308) 5.958 3.950 ( 0.000 1.638 -4.516) 4.803 3.999 ( 0.000 -0.544 -1.654) 1.741 4.028 ( 0.000 -2.744 -0.759) 2.847 4.073 ( 0.000 -0.260 -4.261) 4.269 4.113 ( 0.000 0.042 -1.793) 1.793 4.129 ( 0.000 -3.514 -2.543) 4.338 4.139 ( 0.000 -3.338 -5.380) 6.331 4.210 ( 0.000 2.410 -0.590) 2.481 4.227 ( 0.000 -0.377 -3.368) 3.389 4.233 ( 0.000 1.580 1.322) 2.060 4.290 ( 0.000 -2.333 -0.111) 2.336 4.395 ( 0.000 1.612 1.659) 2.313 4.399 ( 0.000 0.880 2.874) 3.005 4.584 ( 0.000 6.166 5.623) 8.345 4.664 ( 0.000 -1.122 5.588) 5.700 5.375 ( 0.000 3.117 -1.237) 3.354 5.421 ( 0.000 -0.971 -2.855) 3.015 5.486 ( 0.000 -0.852 -2.461) 2.605 5.497 ( 0.000 -1.792 -2.609) 3.165 5.602 ( 0.000 1.324 -0.823) 1.559 5.636 ( 0.000 -1.750 -2.040) 2.688 5.709 ( 0.000 3.421 5.017) 6.072 5.777 ( 0.000 -0.847 2.307) 2.458 5.800 ( 0.000 1.616 1.226) 2.028 5.833 ( 0.000 0.952 -2.491) 2.667 5.950 ( 0.000 7.439 5.587) 9.303 6.111 ( 0.000 -7.315 4.651) 8.668 6.427 ( 0.000 3.117 -1.790) 3.594 6.461 ( 0.000 0.494 1.043) 1.154 6.579 ( 0.000 2.300 4.151) 4.746 6.625 ( 0.000 -1.780 5.601) 5.877 6.747 ( 0.000 4.565 -2.130) 5.037 6.820 ( 0.000 -1.804 -0.468) 1.864 6.860 ( 0.000 0.562 -3.509) 3.553 6.875 ( 0.000 0.010 -2.377) 2.377 6.911 ( 0.000 1.900 -2.297) 2.981 7.003 ( 0.000 -6.524 -2.880) 7.131 7.013 ( 0.000 4.022 1.984) 4.485 7.107 ( 0.000 -4.601 3.084) 5.539 7.368 ( 0.000 13.876 -2.142) 14.040 7.650 ( 0.000 -11.765 -5.179) 12.854 7.862 ( 0.000 0.868 -6.778) 6.833 7.904 ( 0.000 -2.915 -3.822) 4.807 8.355 ( 0.000 2.561 -0.795) 2.682 8.426 ( 0.000 -4.234 -2.031) 4.696 8.555 ( 0.000 2.910 -1.603) 3.322 8.656 ( 0.000 -6.368 -3.989) 7.514 9.120 ( 0.000 6.554 -0.948) 6.622 9.203 ( 0.000 5.812 -0.964) 5.891 9.270 ( 0.000 -5.761 -1.788) 6.032 9.304 ( 0.000 -2.158 1.778) 2.796 9.496 ( 0.000 7.366 0.081) 7.367 9.544 ( 0.000 2.556 3.887) 4.652 9.557 ( 0.000 1.982 0.589) 2.067 9.634 ( 0.000 -1.925 0.961) 2.152 9.687 ( 0.000 -1.131 0.919) 1.457 9.694 ( 0.000 -5.599 -2.034) 5.957 9.822 ( 0.000 1.149 1.830) 2.160 9.878 ( 0.000 -2.814 1.858) 3.372 9.929 ( 0.000 3.134 0.761) 3.225 9.986 ( 0.000 -1.155 -3.710) 3.886 10.244 ( 0.000 5.672 -0.838) 5.733 10.386 ( 0.000 -7.883 1.220) 7.977 10.761 ( 0.000 0.366 1.303) 1.354 10.763 ( 0.000 0.204 0.767) 0.793 10.789 ( 0.000 -0.244 2.179) 2.193 10.807 ( 0.000 -1.895 1.556) 2.452 ======================= Grid point 22 (12/30) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 5.578 11.031 6.757) 14.087 0.925 ( 5.160 14.317 5.070) 16.041 1.055 ( -5.684 1.802 6.015) 8.470 1.099 ( -9.286 2.804 7.100) 12.021 1.251 ( 6.107 -1.263 -0.477) 6.254 1.349 ( 5.770 -10.633 0.058) 12.098 1.385 ( -4.932 -3.068 -0.982) 5.891 1.498 ( -4.011 -9.890 3.073) 11.106 1.589 ( 5.358 6.924 6.835) 11.107 1.663 ( 5.516 0.544 3.660) 6.642 1.705 ( -2.767 3.831 5.577) 7.310 1.808 ( -4.649 -3.818 6.337) 8.737 1.892 ( -0.183 3.026 0.692) 3.110 1.910 ( 1.986 0.529 0.490) 2.113 1.951 ( 0.539 3.115 1.711) 3.594 1.993 ( 0.586 -3.473 0.439) 3.550 2.027 ( -0.466 -0.843 0.624) 1.147 2.077 ( -4.377 3.290 3.201) 6.343 2.093 ( -1.679 -4.048 0.323) 4.395 2.148 ( -3.202 -1.882 1.658) 4.067 2.316 ( 3.817 1.940 -0.444) 4.305 2.381 ( -0.329 0.480 0.389) 0.700 2.430 ( 1.581 -5.708 1.857) 6.207 2.467 ( -0.506 -4.318 1.534) 4.610 2.533 ( 3.972 1.818 1.952) 4.784 2.589 ( 5.302 -3.182 1.334) 6.326 2.662 ( -4.993 2.256 4.201) 6.904 2.709 ( -3.842 -1.705 3.052) 5.194 2.889 ( 0.669 3.494 -1.131) 3.733 2.938 ( -0.866 3.880 -2.976) 4.966 2.947 ( -0.725 0.061 -1.815) 1.956 2.979 ( -2.280 0.677 1.341) 2.730 3.002 ( 3.618 -0.690 -3.105) 4.818 3.032 ( 3.399 -3.289 -2.737) 5.465 3.105 ( -2.775 -1.453 -2.529) 4.026 3.136 ( -3.957 -3.966 0.073) 5.603 3.206 ( 2.224 2.476 -0.539) 3.372 3.258 ( -0.580 0.513 -0.164) 0.792 3.271 ( 0.821 0.358 0.232) 0.925 3.294 ( 0.793 -1.969 -2.089) 2.978 3.336 ( -1.194 -1.183 -2.332) 2.875 3.356 ( 1.685 -2.628 -1.587) 3.502 3.369 ( -0.335 -2.572 -3.335) 4.225 3.445 ( -3.525 -6.724 -0.351) 7.600 3.522 ( 0.136 7.225 -0.949) 7.288 3.571 ( -3.824 6.304 -1.424) 7.509 3.655 ( 0.096 -0.914 -1.955) 2.160 3.664 ( -0.043 -2.351 -1.506) 2.793 3.837 ( 1.299 -1.257 -1.954) 2.662 3.846 ( 4.330 0.844 -0.772) 4.479 3.883 ( 1.053 -1.580 -1.141) 2.215 3.899 ( 3.012 0.200 -1.600) 3.417 3.932 ( -0.813 1.700 -4.765) 5.124 3.954 ( -2.389 -0.592 0.005) 2.461 3.983 ( 1.533 -0.649 -3.626) 3.990 4.019 ( -1.477 -3.715 -1.607) 4.309 4.061 ( 0.328 0.796 -1.898) 2.084 4.091 ( -1.168 1.150 -1.629) 2.310 4.126 ( -0.697 -3.786 -3.409) 5.142 4.130 ( -0.638 -1.627 -2.912) 3.396 4.211 ( 0.312 1.343 -1.480) 2.023 4.220 ( -0.083 0.713 -0.354) 0.801 4.246 ( -0.147 -0.683 -1.544) 1.694 4.255 ( -1.142 -1.375 -1.652) 2.433 4.454 ( 4.523 4.086 4.826) 7.775 4.505 ( 6.477 -0.414 2.387) 6.915 4.548 ( -3.219 5.914 5.451) 8.663 4.624 ( -3.694 -0.892 4.495) 5.886 5.402 ( 2.607 1.971 -0.978) 3.411 5.432 ( 1.329 -0.905 -2.731) 3.169 5.475 ( -1.460 -0.079 -2.923) 3.268 5.483 ( -3.014 -0.522 -2.595) 4.012 5.617 ( 2.028 1.330 0.772) 2.545 5.643 ( 0.505 -1.059 1.313) 1.761 5.661 ( -1.149 1.638 2.978) 3.588 5.698 ( -4.484 -1.497 2.855) 5.523 5.827 ( 1.782 5.581 0.683) 5.898 5.868 ( -0.772 7.105 1.124) 7.235 5.951 ( 2.844 -2.920 -0.614) 4.122 6.058 ( -4.745 -7.666 1.470) 9.135 6.473 ( 3.701 3.125 -0.713) 4.896 6.497 ( 2.635 1.151 1.493) 3.240 6.559 ( -2.039 0.995 2.420) 3.317 6.584 ( -3.235 -0.838 3.041) 4.518 6.787 ( 3.250 4.955 -1.874) 6.215 6.842 ( 0.227 0.693 -1.934) 2.067 6.861 ( -0.561 0.574 -2.344) 2.478 6.867 ( 0.052 0.185 -2.251) 2.259 6.953 ( 2.987 1.568 -0.079) 3.374 7.002 ( -1.068 2.988 1.814) 3.655 7.043 ( 2.925 -6.065 -0.640) 6.764 7.098 ( -1.400 -5.381 2.969) 6.304 7.442 ( 6.881 12.478 -3.798) 14.747 7.641 ( -6.751 4.532 -6.834) 10.621 7.720 ( -1.193 -7.658 -1.338) 7.865 7.827 ( -6.462 -7.373 -3.444) 10.392 8.436 ( 4.602 1.541 -1.527) 5.088 8.510 ( 4.923 -4.491 -3.348) 7.457 8.523 ( -1.786 1.380 -1.689) 2.819 8.620 ( -3.284 -6.684 -3.873) 8.394 9.138 ( 1.546 6.752 -1.262) 7.041 9.180 ( -1.847 6.763 -1.553) 7.181 9.276 ( 0.757 -5.704 1.086) 5.856 9.298 ( -0.829 -3.913 2.308) 4.617 9.520 ( 1.451 6.221 -0.113) 6.390 9.541 ( -0.388 4.462 2.648) 5.203 9.584 ( 2.537 0.800 -1.078) 2.870 9.648 ( -1.497 -4.208 -1.654) 4.762 9.670 ( 1.870 0.922 -0.523) 2.150 9.715 ( 1.286 -3.240 0.832) 3.584 9.752 ( -3.316 0.002 1.053) 3.479 9.775 ( -5.354 -1.695 1.508) 5.815 10.035 ( 6.806 4.627 -0.110) 8.231 10.116 ( 6.257 -0.998 -0.538) 6.359 10.190 ( -3.371 2.709 0.078) 4.325 10.301 ( -6.694 -6.188 1.250) 9.201 10.765 ( 0.323 0.465 1.467) 1.572 10.767 ( 0.283 0.466 1.171) 1.292 10.788 ( 0.064 -0.961 1.689) 1.944 10.799 ( -0.670 -1.807 1.354) 2.356 ======================= Grid point 30 (13/30) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 0.000 0.000 18.320) 18.320 0.759 ( 0.000 0.000 19.130) 19.130 1.229 ( 0.000 0.000 22.321) 22.321 1.296 ( 0.000 0.000 4.301) 4.301 1.457 ( 0.000 0.000 14.430) 14.430 1.466 ( 0.000 0.000 7.703) 7.703 1.521 ( 0.000 0.000 7.882) 7.882 1.690 ( 0.000 0.000 3.029) 3.029 1.702 ( 0.000 0.000 -2.007) 2.007 1.800 ( 0.000 0.000 2.558) 2.558 1.825 ( 0.000 0.000 1.407) 1.407 1.878 ( 0.000 0.000 2.730) 2.730 1.933 ( 0.000 0.000 -0.130) 0.130 1.951 ( 0.000 0.000 4.987) 4.987 1.969 ( 0.000 0.000 -1.055) 1.055 1.979 ( 0.000 0.000 2.887) 2.887 2.021 ( 0.000 0.000 2.442) 2.442 2.164 ( 0.000 0.000 1.044) 1.044 2.190 ( 0.000 0.000 -5.142) 5.142 2.224 ( 0.000 0.000 0.302) 0.302 2.364 ( 0.000 0.000 1.482) 1.482 2.385 ( 0.000 0.000 -1.113) 1.113 2.388 ( 0.000 0.000 -0.403) 0.403 2.530 ( 0.000 0.000 -2.796) 2.796 2.589 ( 0.000 0.000 1.015) 1.015 2.591 ( 0.000 0.000 0.774) 0.774 2.652 ( 0.000 0.000 -5.712) 5.712 2.694 ( 0.000 0.000 -2.764) 2.764 2.860 ( 0.000 0.000 -3.265) 3.265 2.878 ( 0.000 0.000 7.241) 7.241 2.915 ( 0.000 0.000 -0.777) 0.777 2.932 ( 0.000 0.000 -6.013) 6.013 2.964 ( 0.000 0.000 -6.102) 6.102 2.999 ( 0.000 0.000 1.571) 1.571 3.058 ( 0.000 0.000 1.243) 1.243 3.189 ( 0.000 0.000 2.816) 2.816 3.192 ( 0.000 0.000 -6.187) 6.187 3.215 ( 0.000 0.000 0.923) 0.923 3.274 ( 0.000 0.000 -1.329) 1.329 3.279 ( 0.000 0.000 -0.783) 0.783 3.361 ( 0.000 0.000 -7.429) 7.429 3.486 ( 0.000 0.000 -2.688) 2.688 3.532 ( 0.000 0.000 1.920) 1.920 3.532 ( 0.000 0.000 -1.487) 1.487 3.544 ( 0.000 0.000 1.281) 1.281 3.586 ( 0.000 0.000 1.528) 1.528 3.623 ( 0.000 0.000 -3.405) 3.405 3.633 ( 0.000 0.000 0.755) 0.755 3.744 ( 0.000 0.000 -9.309) 9.309 3.799 ( 0.000 0.000 0.444) 0.444 3.840 ( 0.000 0.000 -6.104) 6.104 3.841 ( 0.000 0.000 -3.473) 3.473 3.859 ( 0.000 0.000 -5.924) 5.924 3.879 ( 0.000 0.000 3.049) 3.049 3.910 ( 0.000 0.000 -3.263) 3.263 4.051 ( 0.000 0.000 -7.952) 7.952 4.056 ( 0.000 0.000 -3.550) 3.550 4.065 ( 0.000 0.000 4.443) 4.443 4.108 ( 0.000 0.000 -6.706) 6.706 4.146 ( 0.000 0.000 -1.393) 1.393 4.231 ( 0.000 0.000 -1.388) 1.388 4.267 ( 0.000 0.000 -3.197) 3.197 4.277 ( 0.000 0.000 7.437) 7.437 4.280 ( 0.000 0.000 6.237) 6.237 4.305 ( 0.000 0.000 3.500) 3.500 4.357 ( 0.000 0.000 1.090) 1.090 4.376 ( 0.000 0.000 1.257) 1.257 4.531 ( 0.000 0.000 0.790) 0.790 5.382 ( 0.000 0.000 4.801) 4.801 5.436 ( 0.000 0.000 1.460) 1.460 5.499 ( 0.000 0.000 1.599) 1.599 5.582 ( 0.000 0.000 0.471) 0.471 5.599 ( 0.000 0.000 0.098) 0.098 5.612 ( 0.000 0.000 -5.457) 5.457 5.621 ( 0.000 0.000 0.400) 0.400 5.698 ( 0.000 0.000 0.474) 0.474 5.736 ( 0.000 0.000 5.220) 5.220 5.768 ( 0.000 0.000 4.317) 4.317 5.861 ( 0.000 0.000 -4.314) 4.314 6.153 ( 0.000 0.000 -12.294) 12.294 6.295 ( 0.000 0.000 1.612) 1.612 6.471 ( 0.000 0.000 4.162) 4.162 6.631 ( 0.000 0.000 4.129) 4.129 6.659 ( 0.000 0.000 4.527) 4.527 6.742 ( 0.000 0.000 -3.125) 3.125 6.790 ( 0.000 0.000 -6.243) 6.243 6.822 ( 0.000 0.000 -3.066) 3.066 6.832 ( 0.000 0.000 0.734) 0.734 6.859 ( 0.000 0.000 -4.931) 4.931 6.864 ( 0.000 0.000 1.431) 1.431 7.009 ( 0.000 0.000 -0.075) 0.075 7.106 ( 0.000 0.000 -6.202) 6.202 7.312 ( 0.000 0.000 1.751) 1.751 7.405 ( 0.000 0.000 -17.267) 17.267 8.025 ( 0.000 0.000 0.626) 0.626 8.269 ( 0.000 0.000 -3.058) 3.058 8.321 ( 0.000 0.000 0.103) 0.103 8.505 ( 0.000 0.000 -9.491) 9.491 8.606 ( 0.000 0.000 4.361) 4.361 8.670 ( 0.000 0.000 4.807) 4.807 8.798 ( 0.000 0.000 -0.500) 0.500 9.225 ( 0.000 0.000 5.372) 5.372 9.290 ( 0.000 0.000 -9.549) 9.549 9.299 ( 0.000 0.000 4.556) 4.556 9.454 ( 0.000 0.000 1.266) 1.266 9.509 ( 0.000 0.000 -5.674) 5.674 9.519 ( 0.000 0.000 7.815) 7.815 9.524 ( 0.000 0.000 1.104) 1.104 9.611 ( 0.000 0.000 6.224) 6.224 9.768 ( 0.000 0.000 -2.781) 2.781 9.807 ( 0.000 0.000 -4.408) 4.408 9.921 ( 0.000 0.000 -4.867) 4.867 9.927 ( 0.000 0.000 1.496) 1.496 9.936 ( 0.000 0.000 2.874) 2.874 10.149 ( 0.000 0.000 4.051) 4.051 10.602 ( 0.000 0.000 -5.233) 5.233 10.801 ( 0.000 0.000 2.539) 2.539 10.802 ( 0.000 0.000 1.721) 1.721 10.873 ( 0.000 0.000 1.993) 1.993 10.891 ( 0.000 0.000 0.669) 0.669 ======================= Grid point 31 (14/30) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 9.176 0.000 16.139) 18.565 0.871 ( 9.264 0.000 15.933) 18.430 1.092 ( -16.563 0.000 11.605) 20.224 1.118 ( -11.778 0.000 10.102) 15.517 1.426 ( 10.929 0.000 18.006) 21.063 1.584 ( -0.366 0.000 9.207) 9.215 1.593 ( 3.813 0.000 2.128) 4.367 1.667 ( -2.765 0.000 -0.708) 2.854 1.769 ( 4.869 0.000 3.096) 5.770 1.824 ( 1.708 0.000 2.245) 2.821 1.839 ( -1.203 0.000 7.699) 7.792 1.849 ( 0.212 0.000 1.572) 1.586 1.879 ( -3.036 0.000 2.531) 3.953 1.898 ( -6.543 0.000 1.928) 6.821 1.976 ( 2.277 0.000 4.605) 5.137 2.014 ( -0.855 0.000 3.013) 3.132 2.049 ( 3.689 0.000 -2.714) 4.580 2.119 ( -3.306 0.000 -4.647) 5.703 2.150 ( 1.257 0.000 2.550) 2.843 2.219 ( -2.710 0.000 0.941) 2.868 2.372 ( 2.139 0.000 -2.666) 3.418 2.413 ( 2.806 0.000 -1.104) 3.015 2.425 ( -0.979 0.000 0.712) 1.210 2.489 ( -3.291 0.000 -1.651) 3.682 2.611 ( 1.954 0.000 -1.556) 2.498 2.612 ( 4.759 0.000 0.503) 4.786 2.665 ( -2.344 0.000 -2.639) 3.530 2.718 ( 4.267 0.000 -0.025) 4.267 2.764 ( -7.041 0.000 3.927) 8.062 2.837 ( -5.556 0.000 0.436) 5.573 2.873 ( 1.105 0.000 -3.768) 3.926 2.905 ( -1.635 0.000 -4.603) 4.884 2.984 ( 1.558 0.000 -4.212) 4.491 3.012 ( -0.386 0.000 -1.301) 1.357 3.116 ( 3.545 0.000 -1.306) 3.778 3.178 ( 2.798 0.000 -2.195) 3.557 3.196 ( -3.721 0.000 -2.416) 4.436 3.259 ( -0.977 0.000 -2.889) 3.050 3.276 ( 3.320 0.000 1.659) 3.712 3.316 ( -0.007 0.000 1.133) 1.133 3.327 ( 1.038 0.000 -4.381) 4.502 3.413 ( -4.234 0.000 -1.557) 4.511 3.527 ( -0.927 0.000 1.122) 1.455 3.530 ( -0.600 0.000 -1.591) 1.701 3.581 ( 0.280 0.000 0.770) 0.820 3.589 ( 0.274 0.000 -0.603) 0.662 3.597 ( 3.377 0.000 -2.195) 4.028 3.674 ( -3.783 0.000 -6.008) 7.100 3.717 ( 2.535 0.000 1.576) 2.984 3.783 ( -2.982 0.000 1.127) 3.188 3.846 ( 2.636 0.000 -1.259) 2.921 3.854 ( 1.517 0.000 -3.546) 3.857 3.888 ( 0.252 0.000 0.420) 0.490 3.890 ( -1.332 0.000 -4.534) 4.725 3.959 ( 4.802 0.000 -7.821) 9.177 4.032 ( -1.828 0.000 -8.365) 8.563 4.098 ( 2.639 0.000 -4.405) 5.135 4.104 ( 3.545 0.000 5.060) 6.178 4.113 ( 2.289 0.000 -4.342) 4.909 4.170 ( -2.924 0.000 -1.022) 3.098 4.186 ( -1.217 0.000 -3.496) 3.702 4.203 ( -4.503 0.000 6.023) 7.520 4.211 ( -0.066 0.000 -1.916) 1.917 4.269 ( -3.186 0.000 0.535) 3.231 4.371 ( 4.063 0.000 3.368) 5.277 4.384 ( 2.239 0.000 1.174) 2.528 4.403 ( 0.636 0.000 1.530) 1.657 4.473 ( -4.486 0.000 1.290) 4.668 5.425 ( 2.872 0.000 3.961) 4.893 5.451 ( 0.859 0.000 1.863) 2.051 5.496 ( 0.243 0.000 1.632) 1.650 5.549 ( -3.048 0.000 2.323) 3.832 5.585 ( 2.674 0.000 -0.396) 2.703 5.630 ( 1.692 0.000 2.216) 2.788 5.691 ( -3.068 0.000 4.198) 5.200 5.711 ( -8.150 0.000 -1.645) 8.314 5.718 ( 1.485 0.000 0.030) 1.485 5.754 ( -1.443 0.000 1.896) 2.382 5.821 ( 12.756 0.000 -8.926) 15.569 6.082 ( -8.483 0.000 -11.861) 14.582 6.426 ( 9.039 0.000 1.227) 9.122 6.527 ( 3.221 0.000 5.014) 5.959 6.596 ( -1.737 0.000 2.020) 2.664 6.674 ( 1.891 0.000 1.939) 2.708 6.704 ( -6.494 0.000 -0.705) 6.532 6.728 ( -2.070 0.000 0.868) 2.244 6.832 ( 0.546 0.000 -2.040) 2.112 6.850 ( -0.519 0.000 -2.841) 2.888 6.876 ( 4.433 0.000 -3.025) 5.367 6.926 ( 4.421 0.000 -4.913) 6.609 6.970 ( -3.369 0.000 -0.816) 3.466 7.102 ( -10.754 0.000 -8.824) 13.910 7.217 ( 5.588 0.000 -1.167) 5.709 7.358 ( -4.898 0.000 -0.632) 4.939 7.991 ( -1.334 0.000 0.695) 1.505 8.032 ( -5.511 0.000 0.745) 5.561 8.510 ( 3.015 0.000 -8.055) 8.601 8.542 ( 0.758 0.000 -8.821) 8.853 8.620 ( 1.204 0.000 4.452) 4.612 8.652 ( -1.417 0.000 4.669) 4.879 8.992 ( 14.263 0.000 -3.317) 14.643 9.235 ( -6.123 0.000 -7.988) 10.065 9.246 ( 1.632 0.000 5.102) 5.357 9.283 ( -1.378 0.000 4.642) 4.842 9.445 ( -0.143 0.000 1.005) 1.015 9.472 ( -2.481 0.000 1.704) 3.010 9.550 ( 1.209 0.000 6.195) 6.312 9.555 ( 3.957 0.000 -4.886) 6.288 9.582 ( -1.715 0.000 6.079) 6.316 9.667 ( -5.599 0.000 -3.695) 6.709 9.873 ( 2.627 0.000 -4.227) 4.977 9.911 ( -0.964 0.000 -4.692) 4.790 9.927 ( 0.129 0.000 3.077) 3.080 9.935 ( -0.392 0.000 4.031) 4.050 10.260 ( 8.889 0.000 0.908) 8.936 10.479 ( -9.456 0.000 -2.435) 9.765 10.808 ( 0.483 0.000 2.380) 2.428 10.811 ( 0.320 0.000 2.185) 2.208 10.869 ( 0.115 0.000 1.535) 1.539 10.882 ( -0.778 0.000 0.669) 1.026 ======================= Grid point 33 (15/30) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 7.590 14.804) 16.637 0.844 ( 0.000 6.525 16.456) 17.703 1.261 ( 0.000 2.687 15.021) 15.259 1.362 ( 0.000 4.124 4.882) 6.391 1.418 ( 0.000 -3.248 10.960) 11.431 1.448 ( 0.000 -3.829 5.544) 6.737 1.530 ( 0.000 4.315 9.653) 10.574 1.607 ( 0.000 -5.518 7.706) 9.478 1.625 ( 0.000 -5.151 1.127) 5.273 1.791 ( 0.000 -1.543 3.827) 4.126 1.792 ( 0.000 -0.395 3.889) 3.909 1.949 ( 0.000 -1.589 -0.053) 1.590 1.955 ( 0.000 -1.334 6.348) 6.486 1.959 ( 0.000 2.022 0.339) 2.050 1.972 ( 0.000 2.947 0.122) 2.949 1.993 ( 0.000 2.011 3.011) 3.620 1.996 ( 0.000 0.231 -3.103) 3.111 2.161 ( 0.000 -1.223 2.180) 2.499 2.208 ( 0.000 -1.059 -0.929) 1.409 2.216 ( 0.000 1.165 -1.929) 2.253 2.251 ( 0.000 -4.273 -0.480) 4.300 2.331 ( 0.000 -1.934 1.787) 2.633 2.472 ( 0.000 3.319 -2.431) 4.114 2.545 ( 0.000 1.091 -1.182) 1.608 2.577 ( 0.000 -2.705 2.349) 3.583 2.582 ( 0.000 -3.889 -2.457) 4.600 2.659 ( 0.000 2.683 -1.287) 2.976 2.722 ( 0.000 1.793 -1.839) 2.569 2.844 ( 0.000 -0.340 -0.119) 0.361 2.874 ( 0.000 -2.106 -2.622) 3.363 2.883 ( 0.000 1.344 0.809) 1.569 2.952 ( 0.000 1.041 -1.876) 2.145 3.030 ( 0.000 4.309 -6.543) 7.835 3.036 ( 0.000 1.708 1.662) 2.384 3.072 ( 0.000 1.140 0.499) 1.244 3.160 ( 0.000 -2.416 -4.220) 4.862 3.161 ( 0.000 -3.234 1.883) 3.743 3.208 ( 0.000 -0.724 0.314) 0.789 3.294 ( 0.000 0.742 -0.960) 1.213 3.299 ( 0.000 0.176 -1.637) 1.647 3.348 ( 0.000 -1.335 -5.148) 5.318 3.350 ( 0.000 -6.440 0.496) 6.459 3.396 ( 0.000 -8.242 -2.451) 8.598 3.442 ( 0.000 -0.802 0.990) 1.274 3.566 ( 0.000 -4.705 -4.066) 6.218 3.615 ( 0.000 1.313 -0.688) 1.482 3.625 ( 0.000 2.021 -0.527) 2.089 3.672 ( 0.000 1.864 -3.233) 3.731 3.725 ( 0.000 -5.649 1.155) 5.766 3.757 ( 0.000 2.170 -8.355) 8.632 3.812 ( 0.000 1.036 -3.804) 3.942 3.832 ( 0.000 -1.263 -3.477) 3.699 3.866 ( 0.000 -0.350 3.959) 3.974 3.939 ( 0.000 -6.005 -6.246) 8.664 3.997 ( 0.000 6.757 -2.400) 7.170 4.021 ( 0.000 3.750 -1.409) 4.006 4.046 ( 0.000 -1.664 -0.527) 1.745 4.062 ( 0.000 -0.922 -0.262) 0.958 4.077 ( 0.000 -0.179 -2.167) 2.174 4.117 ( 0.000 -2.628 -3.102) 4.066 4.198 ( 0.000 -2.756 2.143) 3.491 4.199 ( 0.000 -3.899 -0.997) 4.025 4.261 ( 0.000 0.158 1.266) 1.276 4.298 ( 0.000 -1.855 -1.510) 2.392 4.347 ( 0.000 3.031 2.110) 3.693 4.410 ( 0.000 4.846 2.628) 5.513 4.489 ( 0.000 9.084 2.387) 9.393 4.647 ( 0.000 6.768 -0.212) 6.771 5.379 ( 0.000 -0.426 3.725) 3.749 5.433 ( 0.000 -1.639 1.549) 2.256 5.490 ( 0.000 -0.891 -2.240) 2.411 5.519 ( 0.000 -3.605 -0.574) 3.650 5.561 ( 0.000 0.129 0.879) 0.889 5.604 ( 0.000 -0.965 -3.635) 3.761 5.724 ( 0.000 5.795 0.471) 5.814 5.736 ( 0.000 2.674 1.037) 2.868 5.761 ( 0.000 2.127 4.519) 4.994 5.832 ( 0.000 4.128 2.203) 4.679 5.896 ( 0.000 3.449 -1.179) 3.645 6.166 ( 0.000 0.607 -9.019) 9.039 6.324 ( 0.000 2.905 1.515) 3.277 6.493 ( 0.000 1.792 3.864) 4.259 6.641 ( 0.000 0.147 4.386) 4.388 6.658 ( 0.000 1.012 1.406) 1.732 6.707 ( 0.000 -1.266 -2.732) 3.011 6.805 ( 0.000 0.326 -2.080) 2.105 6.826 ( 0.000 0.205 -2.619) 2.627 6.855 ( 0.000 -1.277 0.743) 1.477 6.861 ( 0.000 0.901 -1.482) 1.734 6.918 ( 0.000 4.876 -1.542) 5.114 7.002 ( 0.000 1.878 -2.965) 3.510 7.061 ( 0.000 -3.636 -4.292) 5.625 7.327 ( 0.000 0.918 2.228) 2.410 7.429 ( 0.000 2.186 -16.746) 16.888 7.932 ( 0.000 -8.502 -0.305) 8.508 8.056 ( 0.000 -15.193 -0.765) 15.212 8.333 ( 0.000 1.099 0.479) 1.199 8.460 ( 0.000 -3.054 -4.440) 5.389 8.561 ( 0.000 -4.513 2.128) 4.989 8.627 ( 0.000 -0.196 -1.868) 1.878 8.968 ( 0.000 10.145 -0.088) 10.145 9.099 ( 0.000 -3.562 2.577) 4.397 9.300 ( 0.000 0.614 -1.052) 1.218 9.390 ( 0.000 -6.580 -2.815) 7.157 9.431 ( 0.000 6.551 -2.185) 6.906 9.524 ( 0.000 0.989 6.114) 6.194 9.583 ( 0.000 2.200 2.952) 3.682 9.599 ( 0.000 7.303 -0.236) 7.307 9.646 ( 0.000 1.388 1.280) 1.889 9.766 ( 0.000 -2.038 -2.855) 3.507 9.821 ( 0.000 2.290 -2.639) 3.494 9.825 ( 0.000 -2.199 -1.932) 2.927 9.927 ( 0.000 -0.855 1.717) 1.918 10.018 ( 0.000 3.366 2.286) 4.069 10.140 ( 0.000 -0.061 1.241) 1.242 10.540 ( 0.000 -5.855 -3.659) 6.904 10.791 ( 0.000 -0.608 1.725) 1.829 10.799 ( 0.000 -0.189 2.320) 2.328 10.859 ( 0.000 -1.025 2.461) 2.666 10.874 ( 0.000 -1.397 1.084) 1.768 ======================= Grid point 34 (16/30) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 8.344 7.213 13.232) 17.226 0.948 ( 7.740 6.252 14.433) 17.530 1.136 ( -13.231 4.262 11.092) 17.783 1.175 ( -11.144 4.375 9.958) 15.572 1.415 ( 6.766 -2.179 11.390) 13.426 1.513 ( -1.257 -5.876 4.703) 7.631 1.585 ( 5.673 -1.630 2.418) 6.378 1.641 ( 2.226 -3.892 4.151) 6.111 1.716 ( 1.387 -0.424 2.873) 3.218 1.773 ( 0.087 -5.648 4.272) 7.082 1.786 ( -2.612 -1.804 7.176) 7.847 1.853 ( -4.497 0.427 -0.004) 4.517 1.898 ( -0.051 3.025 3.975) 4.995 1.943 ( -2.205 1.980 2.019) 3.586 1.979 ( 1.283 -0.904 3.841) 4.149 2.025 ( -1.331 1.317 3.315) 3.808 2.073 ( 3.358 1.364 -1.138) 3.799 2.100 ( -1.164 -0.017 -1.377) 1.803 2.163 ( -0.537 -0.034 2.478) 2.536 2.186 ( -1.951 -3.844 0.262) 4.318 2.308 ( 3.170 -2.125 -1.177) 3.993 2.385 ( -2.217 -0.893 -0.316) 2.411 2.462 ( 2.418 2.354 -1.972) 3.909 2.524 ( -2.384 0.749 -1.656) 2.998 2.606 ( 5.852 0.282 -0.171) 5.861 2.656 ( 2.541 -0.142 1.850) 3.146 2.677 ( 1.238 0.670 -2.302) 2.698 2.717 ( -0.182 0.936 1.020) 1.397 2.770 ( -5.065 1.634 0.041) 5.322 2.818 ( -4.457 -0.668 0.159) 4.509 2.879 ( 0.860 0.783 -4.112) 4.273 2.920 ( -2.399 0.817 -3.127) 4.025 3.013 ( 0.095 1.033 -1.046) 1.473 3.028 ( -0.924 1.774 -1.431) 2.459 3.122 ( 3.334 0.482 -1.255) 3.595 3.151 ( 0.433 -0.009 -2.025) 2.071 3.224 ( 2.385 -3.036 -2.922) 4.841 3.245 ( 1.500 -2.863 -0.428) 3.261 3.257 ( -1.370 1.476 -2.293) 3.052 3.294 ( -2.491 -5.337 0.094) 5.890 3.317 ( 0.677 -1.163 0.456) 1.421 3.350 ( -1.903 1.144 -2.085) 3.046 3.436 ( 3.260 -4.418 -3.237) 6.374 3.474 ( 3.092 -6.845 1.335) 7.629 3.520 ( -3.303 -2.090 -0.991) 4.032 3.587 ( -5.931 -6.138 -2.195) 8.812 3.609 ( 1.164 1.000 -1.142) 1.913 3.631 ( -0.144 0.871 -1.186) 1.478 3.755 ( 2.255 3.681 -1.590) 4.600 3.787 ( -0.541 0.468 -3.776) 3.843 3.801 ( -0.311 -0.037 0.251) 0.401 3.815 ( -0.757 -1.966 -3.210) 3.840 3.913 ( 3.118 -2.362 -2.006) 4.396 3.949 ( 0.099 -2.997 -5.588) 6.342 3.980 ( -0.276 3.791 -3.132) 4.925 3.997 ( -1.162 1.723 -4.441) 4.903 4.079 ( 1.954 -1.186 -0.299) 2.305 4.111 ( 3.355 -1.802 0.089) 3.809 4.113 ( 2.057 -0.291 -0.680) 2.186 4.138 ( -1.029 -1.947 0.209) 2.212 4.143 ( -0.420 -2.559 -2.512) 3.610 4.193 ( -3.242 -1.950 1.564) 4.093 4.228 ( -0.187 0.895 -1.266) 1.562 4.260 ( -1.452 -1.259 0.094) 1.924 4.409 ( 1.825 5.130 1.021) 5.540 4.458 ( -2.086 7.882 1.078) 8.225 4.477 ( 5.519 5.114 1.864) 7.752 4.595 ( -4.343 6.519 0.016) 7.834 5.418 ( 2.822 -0.814 2.793) 4.053 5.448 ( 1.600 -2.263 1.392) 3.102 5.460 ( -1.397 -0.816 -0.250) 1.637 5.511 ( -2.533 -2.878 1.002) 3.963 5.599 ( 3.776 0.790 0.312) 3.870 5.642 ( 2.703 0.165 -0.493) 2.753 5.703 ( -3.116 0.948 1.984) 3.814 5.718 ( -3.376 1.750 1.880) 4.241 5.768 ( -1.237 3.539 0.196) 3.754 5.779 ( -1.437 3.656 1.073) 4.072 5.892 ( 6.182 3.996 -4.602) 8.682 6.088 ( -8.059 -0.212 -8.951) 12.046 6.429 ( 7.547 0.968 2.000) 7.868 6.531 ( 1.476 0.679 4.157) 4.463 6.604 ( -2.372 0.410 1.679) 2.935 6.657 ( -4.005 -1.699 0.688) 4.405 6.682 ( 2.977 1.097 0.597) 3.229 6.758 ( -3.123 1.622 -0.817) 3.613 6.826 ( -0.252 -0.854 -1.946) 2.140 6.836 ( -1.108 0.295 -0.501) 1.252 6.924 ( 3.349 2.074 -1.246) 4.131 6.941 ( 1.288 1.880 -2.180) 3.154 7.048 ( 4.984 7.724 -6.058) 11.009 7.160 ( 7.294 -3.425 -1.146) 8.139 7.228 ( -8.718 6.849 -5.473) 12.364 7.325 ( -6.996 -1.662 -3.465) 7.982 7.905 ( -0.672 -8.293 -0.167) 8.322 7.945 ( -4.229 -8.229 -1.059) 9.312 8.447 ( 3.278 -3.196 -2.298) 5.123 8.484 ( 0.218 -2.966 -4.542) 5.429 8.594 ( 3.218 -5.777 0.754) 6.656 8.630 ( -0.089 -1.738 -1.728) 2.453 9.007 ( 3.449 4.545 0.184) 5.709 9.079 ( -2.144 -2.331 1.508) 3.508 9.336 ( 3.152 1.309 -2.294) 4.112 9.395 ( -0.756 -2.463 -3.087) 4.021 9.457 ( 2.505 4.051 -1.001) 4.867 9.506 ( -1.192 0.053 4.089) 4.260 9.548 ( -2.331 4.530 4.351) 6.700 9.557 ( -2.821 2.683 0.681) 3.952 9.648 ( 0.867 2.440 0.109) 2.592 9.696 ( -3.481 2.752 -1.665) 4.739 9.828 ( 1.805 -4.513 -0.626) 4.900 9.871 ( -1.280 -0.810 -0.422) 1.573 9.944 ( 3.560 2.031 1.789) 4.472 10.015 ( -1.908 5.086 -0.762) 5.485 10.233 ( 8.067 -2.542 0.621) 8.481 10.432 ( -8.431 -4.417 -1.736) 9.675 10.802 ( 0.667 -0.486 1.954) 2.121 10.806 ( 0.321 -0.262 2.338) 2.375 10.854 ( -0.074 -1.178 1.923) 2.256 10.865 ( -0.782 -1.499 1.084) 2.008 ======================= Grid point 36 (17/30) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 9.327 8.159) 12.392 0.994 ( 0.000 7.376 10.542) 12.866 1.241 ( 0.000 -6.556 5.919) 8.832 1.249 ( 0.000 -8.619 8.014) 11.769 1.412 ( 0.000 2.992 8.851) 9.343 1.460 ( 0.000 0.734 7.985) 8.018 1.530 ( 0.000 -0.857 6.775) 6.829 1.550 ( 0.000 -2.183 4.402) 4.914 1.647 ( 0.000 4.250 5.413) 6.882 1.729 ( 0.000 -3.949 4.454) 5.952 1.877 ( 0.000 8.615 8.823) 12.331 1.883 ( 0.000 -0.781 1.899) 2.053 1.921 ( 0.000 -2.874 3.312) 4.385 1.957 ( 0.000 0.744 2.019) 2.151 1.987 ( 0.000 -1.372 0.173) 1.383 2.032 ( 0.000 -0.950 1.440) 1.725 2.096 ( 0.000 5.011 -1.806) 5.326 2.099 ( 0.000 -1.637 1.222) 2.042 2.164 ( 0.000 -3.310 -1.701) 3.722 2.180 ( 0.000 -2.210 -0.719) 2.324 2.295 ( 0.000 5.211 1.913) 5.551 2.348 ( 0.000 3.876 1.222) 4.064 2.451 ( 0.000 -8.220 4.130) 9.199 2.466 ( 0.000 -6.284 -0.156) 6.286 2.539 ( 0.000 2.526 -0.594) 2.595 2.561 ( 0.000 0.153 1.482) 1.490 2.734 ( 0.000 4.138 -1.996) 4.594 2.756 ( 0.000 1.844 -0.482) 1.906 2.822 ( 0.000 -2.610 -2.524) 3.631 2.839 ( 0.000 -2.876 -5.017) 5.783 2.916 ( 0.000 2.544 -0.383) 2.573 2.968 ( 0.000 -0.639 -1.759) 1.872 3.032 ( 0.000 -0.303 -0.923) 0.971 3.048 ( 0.000 -3.171 2.460) 4.014 3.106 ( 0.000 0.148 -4.703) 4.705 3.108 ( 0.000 -0.963 -1.816) 2.056 3.125 ( 0.000 1.911 1.318) 2.322 3.178 ( 0.000 -2.988 -1.075) 3.175 3.263 ( 0.000 1.086 -1.456) 1.816 3.274 ( 0.000 1.035 0.640) 1.217 3.317 ( 0.000 -1.632 -3.007) 3.422 3.338 ( 0.000 3.742 0.354) 3.759 3.343 ( 0.000 -1.800 -0.676) 1.923 3.454 ( 0.000 -5.034 -3.572) 6.173 3.520 ( 0.000 1.459 -2.572) 2.957 3.546 ( 0.000 1.789 -3.663) 4.076 3.585 ( 0.000 -4.319 -7.025) 8.246 3.651 ( 0.000 -4.537 -4.486) 6.380 3.748 ( 0.000 3.417 2.186) 4.056 3.793 ( 0.000 -0.548 -4.481) 4.514 3.840 ( 0.000 2.900 -2.225) 3.655 3.840 ( 0.000 1.804 -0.553) 1.886 3.873 ( 0.000 -0.538 1.618) 1.705 3.882 ( 0.000 0.278 -1.135) 1.169 4.004 ( 0.000 0.884 -1.546) 1.781 4.005 ( 0.000 -1.457 0.609) 1.579 4.043 ( 0.000 -3.445 1.883) 3.927 4.047 ( 0.000 -0.265 -2.047) 2.064 4.069 ( 0.000 -1.505 -2.283) 2.734 4.075 ( 0.000 -3.097 -0.635) 3.162 4.160 ( 0.000 1.719 -2.711) 3.210 4.191 ( 0.000 0.505 -0.432) 0.665 4.251 ( 0.000 -0.319 -0.087) 0.331 4.267 ( 0.000 -1.199 -1.829) 2.187 4.425 ( 0.000 3.957 0.638) 4.008 4.471 ( 0.000 0.301 2.404) 2.423 4.663 ( 0.000 6.382 0.862) 6.440 4.729 ( 0.000 0.416 -0.633) 0.758 5.370 ( 0.000 -0.041 1.551) 1.551 5.389 ( 0.000 -1.855 0.562) 1.938 5.460 ( 0.000 -1.111 0.225) 1.134 5.463 ( 0.000 -1.492 0.433) 1.554 5.583 ( 0.000 0.908 -0.927) 1.298 5.592 ( 0.000 -0.219 -2.204) 2.215 5.791 ( 0.000 2.092 -0.664) 2.195 5.804 ( 0.000 1.335 -1.748) 2.199 5.810 ( 0.000 2.248 4.099) 4.675 5.850 ( 0.000 -1.321 2.291) 2.645 6.026 ( 0.000 7.011 1.502) 7.170 6.140 ( 0.000 -3.480 -1.637) 3.846 6.417 ( 0.000 5.195 1.290) 5.353 6.500 ( 0.000 -2.046 2.666) 3.361 6.669 ( 0.000 2.313 3.257) 3.995 6.698 ( 0.000 -0.313 0.067) 0.320 6.701 ( 0.000 3.548 -1.978) 4.062 6.791 ( 0.000 -3.282 -2.401) 4.066 6.822 ( 0.000 -1.040 0.539) 1.171 6.823 ( 0.000 0.319 -1.541) 1.574 6.877 ( 0.000 1.430 -0.646) 1.569 6.939 ( 0.000 -4.483 -2.426) 5.097 7.033 ( 0.000 5.502 -0.057) 5.503 7.097 ( 0.000 1.136 -3.184) 3.381 7.374 ( 0.000 5.372 1.527) 5.585 7.475 ( 0.000 0.190 -10.830) 10.832 7.732 ( 0.000 -7.128 -5.221) 8.836 7.780 ( 0.000 -9.689 -7.648) 12.343 8.364 ( 0.000 1.731 1.173) 2.091 8.404 ( 0.000 -2.207 -0.183) 2.214 8.523 ( 0.000 0.723 -0.851) 1.117 8.576 ( 0.000 -3.594 -3.022) 4.696 9.112 ( 0.000 3.808 -0.102) 3.810 9.149 ( 0.000 5.389 -3.256) 6.296 9.262 ( 0.000 -4.107 0.276) 4.116 9.294 ( 0.000 -2.206 -2.205) 3.119 9.542 ( 0.000 4.382 3.226) 5.441 9.569 ( 0.000 3.429 0.243) 3.438 9.621 ( 0.000 0.350 2.790) 2.811 9.635 ( 0.000 -2.201 -0.557) 2.271 9.660 ( 0.000 -0.152 -1.132) 1.142 9.662 ( 0.000 -4.422 -0.992) 4.532 9.856 ( 0.000 2.532 -2.111) 3.296 9.900 ( 0.000 -1.419 1.169) 1.839 9.917 ( 0.000 5.220 0.226) 5.225 10.013 ( 0.000 -3.366 5.597) 6.531 10.214 ( 0.000 6.807 -2.116) 7.128 10.381 ( 0.000 -8.509 -1.658) 8.669 10.788 ( 0.000 0.243 1.559) 1.578 10.794 ( 0.000 -0.270 1.830) 1.850 10.841 ( 0.000 -0.520 2.513) 2.567 10.845 ( 0.000 -1.027 1.953) 2.207 ======================= Grid point 37 (18/30) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.690 9.319 7.692) 13.812 1.093 ( 6.375 6.758 10.758) 14.214 1.225 ( -3.787 1.006 9.639) 10.405 1.274 ( -6.881 5.116 8.538) 12.100 1.310 ( 2.228 -7.188 7.155) 10.384 1.388 ( -0.413 -4.564 3.634) 5.849 1.446 ( -3.952 -4.038 6.220) 8.403 1.568 ( -7.722 -10.116 3.893) 13.308 1.690 ( 5.080 4.368 2.577) 7.178 1.744 ( 5.302 -0.040 3.775) 6.508 1.839 ( -4.530 3.475 4.599) 7.332 1.875 ( -4.671 0.288 0.154) 4.682 1.931 ( 0.441 0.451 3.320) 3.379 1.951 ( 1.518 2.887 3.078) 4.485 1.993 ( 3.436 -2.503 1.955) 4.679 2.022 ( -0.700 0.310 2.893) 2.992 2.081 ( -0.342 -2.704 2.971) 4.032 2.110 ( 1.402 -1.262 1.377) 2.335 2.121 ( -2.515 3.434 1.516) 4.518 2.173 ( -2.956 -0.294 1.256) 3.225 2.318 ( 4.275 3.855 0.535) 5.781 2.401 ( -1.559 1.944 0.779) 2.611 2.464 ( 1.085 -6.015 -0.021) 6.112 2.483 ( -0.234 -1.787 -0.688) 1.929 2.600 ( 4.814 -1.321 3.881) 6.323 2.604 ( 6.649 -1.088 -0.169) 6.739 2.714 ( -2.826 1.802 -0.377) 3.373 2.733 ( -3.512 0.432 0.298) 3.551 2.825 ( 0.192 1.851 -3.192) 3.695 2.841 ( -1.094 3.200 -3.843) 5.119 2.891 ( -0.337 -0.507 -4.629) 4.669 2.918 ( -2.183 -1.453 -3.442) 4.327 3.016 ( 1.417 -0.075 1.481) 2.051 3.043 ( 0.528 -1.664 2.189) 2.800 3.101 ( -1.916 -1.326 0.799) 2.463 3.125 ( -1.300 -2.070 -1.774) 3.020 3.190 ( 3.757 1.386 -0.944) 4.114 3.217 ( 4.523 0.677 -4.132) 6.164 3.261 ( -1.080 1.155 0.989) 1.865 3.269 ( 0.704 -0.158 -0.230) 0.758 3.292 ( -2.797 2.968 -1.698) 4.418 3.319 ( -0.896 -3.806 -0.378) 3.928 3.347 ( 0.580 -3.836 -1.117) 4.037 3.419 ( -4.498 -7.463 -2.284) 9.008 3.495 ( 0.393 4.814 -1.034) 4.939 3.520 ( -1.153 2.472 -2.999) 4.054 3.593 ( -0.368 -2.770 -4.043) 4.915 3.606 ( -0.545 -4.057 -4.128) 5.814 3.782 ( 0.207 1.514 -3.520) 3.837 3.808 ( -2.120 2.179 -1.835) 3.551 3.822 ( 1.448 -1.649 -4.450) 4.962 3.842 ( -0.729 0.939 -2.780) 3.024 3.881 ( 2.894 2.809 0.592) 4.076 3.916 ( 0.851 0.225 0.060) 0.883 3.994 ( -0.234 -2.624 1.875) 3.233 4.018 ( -1.064 -3.187 -0.231) 3.368 4.036 ( 1.050 -1.267 0.430) 1.701 4.051 ( 0.524 -0.284 -1.395) 1.517 4.062 ( 1.181 -0.799 -1.575) 2.124 4.096 ( -0.318 -2.396 -0.706) 2.518 4.161 ( 0.465 2.568 -2.512) 3.622 4.190 ( -1.282 1.521 -1.327) 2.391 4.227 ( -0.761 -1.509 -0.850) 1.892 4.236 ( -0.904 -1.289 -0.532) 1.662 4.516 ( 5.272 4.046 -0.081) 6.646 4.549 ( 6.183 1.225 1.001) 6.383 4.620 ( -3.692 5.883 0.389) 6.957 4.677 ( -4.481 0.722 -0.503) 4.567 5.397 ( 2.430 -0.766 1.355) 2.886 5.402 ( 1.541 -1.373 0.488) 2.121 5.445 ( -1.564 -0.419 0.781) 1.798 5.458 ( -1.848 -1.727 0.691) 2.622 5.618 ( 3.789 1.002 -0.547) 3.957 5.636 ( 3.848 -0.593 -0.975) 4.013 5.727 ( -4.803 1.067 1.624) 5.181 5.740 ( -5.074 0.095 0.686) 5.121 5.845 ( 1.730 2.860 0.594) 3.395 5.863 ( 3.678 2.381 -0.727) 4.442 5.955 ( -3.745 3.292 -0.066) 4.986 6.044 ( -7.573 -3.904 -2.554) 8.895 6.485 ( 5.192 3.832 1.718) 6.678 6.544 ( 3.175 -0.809 2.939) 4.401 6.611 ( -4.370 1.050 1.781) 4.835 6.640 ( -3.921 -0.920 2.160) 4.570 6.738 ( 3.078 4.112 -2.109) 5.553 6.794 ( -1.280 1.670 -2.349) 3.153 6.818 ( 0.612 -1.600 -1.313) 2.158 6.827 ( -0.061 -0.925 -1.558) 1.814 6.956 ( 4.538 2.240 0.187) 5.064 7.021 ( -0.980 4.970 -0.091) 5.066 7.038 ( 6.683 -4.956 0.596) 8.341 7.137 ( 0.142 -4.413 0.071) 4.416 7.356 ( 1.217 11.438 -4.083) 12.206 7.452 ( -3.702 9.178 -10.395) 14.352 7.670 ( -1.569 -12.179 -3.417) 12.746 7.723 ( -4.288 -11.535 -6.342) 13.844 8.421 ( 3.297 0.594 -0.041) 3.351 8.451 ( 3.050 -1.150 -2.139) 3.899 8.502 ( -1.062 -1.273 0.049) 1.659 8.549 ( -2.480 -4.360 -2.349) 5.539 9.121 ( 1.243 5.801 -0.686) 5.972 9.154 ( -0.875 6.891 -0.858) 6.999 9.264 ( 1.368 -6.411 -2.027) 6.862 9.300 ( -0.679 -5.356 -1.755) 5.677 9.536 ( -0.045 2.775 0.586) 2.837 9.555 ( 0.223 2.959 -1.105) 3.166 9.589 ( -1.999 1.186 1.016) 2.537 9.616 ( -2.637 -0.157 -0.224) 2.652 9.675 ( 3.506 1.392 0.766) 3.849 9.734 ( 4.483 -3.827 1.587) 6.104 9.770 ( -4.564 3.245 0.934) 5.677 9.832 ( -4.193 -2.589 2.477) 5.516 10.031 ( 6.384 5.427 0.033) 8.379 10.120 ( 4.095 1.019 0.942) 4.324 10.176 ( -0.641 1.176 -1.324) 1.884 10.306 ( -6.178 -7.086 -0.878) 9.442 10.799 ( 0.869 0.253 1.752) 1.972 10.803 ( 0.582 -0.006 2.008) 2.091 10.830 ( -0.699 -0.849 2.207) 2.466 10.833 ( -0.918 -1.187 1.787) 2.333 ======================= Grid point 45 (19/30) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.000 17.649) 17.649 1.127 ( 0.000 0.000 15.789) 15.789 1.376 ( 0.000 0.000 2.712) 2.712 1.522 ( 0.000 0.000 6.879) 6.879 1.603 ( 0.000 0.000 1.250) 1.250 1.661 ( 0.000 0.000 5.295) 5.295 1.703 ( 0.000 0.000 1.697) 1.697 1.739 ( 0.000 0.000 11.476) 11.476 1.747 ( 0.000 0.000 4.879) 4.879 1.843 ( 0.000 0.000 -5.504) 5.504 1.856 ( 0.000 0.000 2.841) 2.841 1.858 ( 0.000 0.000 1.752) 1.752 1.930 ( 0.000 0.000 2.178) 2.178 2.038 ( 0.000 0.000 3.103) 3.103 2.047 ( 0.000 0.000 7.667) 7.667 2.056 ( 0.000 0.000 -4.408) 4.408 2.068 ( 0.000 0.000 1.517) 1.517 2.129 ( 0.000 0.000 4.055) 4.055 2.146 ( 0.000 0.000 -2.181) 2.181 2.225 ( 0.000 0.000 -1.487) 1.487 2.367 ( 0.000 0.000 -0.836) 0.836 2.380 ( 0.000 0.000 1.044) 1.044 2.398 ( 0.000 0.000 2.576) 2.576 2.453 ( 0.000 0.000 -4.471) 4.471 2.538 ( 0.000 0.000 -4.732) 4.732 2.555 ( 0.000 0.000 -4.175) 4.175 2.607 ( 0.000 0.000 -3.846) 3.846 2.664 ( 0.000 0.000 3.948) 3.948 2.826 ( 0.000 0.000 -4.120) 4.120 2.856 ( 0.000 0.000 3.524) 3.524 2.875 ( 0.000 0.000 -0.415) 0.415 2.904 ( 0.000 0.000 0.096) 0.096 2.932 ( 0.000 0.000 -0.217) 0.217 3.009 ( 0.000 0.000 -1.569) 1.569 3.068 ( 0.000 0.000 -5.963) 5.963 3.124 ( 0.000 0.000 4.034) 4.034 3.194 ( 0.000 0.000 -8.551) 8.551 3.212 ( 0.000 0.000 0.188) 0.188 3.248 ( 0.000 0.000 2.835) 2.835 3.270 ( 0.000 0.000 -0.947) 0.947 3.309 ( 0.000 0.000 0.640) 0.640 3.421 ( 0.000 0.000 -4.766) 4.766 3.489 ( 0.000 0.000 -1.213) 1.213 3.533 ( 0.000 0.000 -6.266) 6.266 3.545 ( 0.000 0.000 -0.764) 0.764 3.547 ( 0.000 0.000 -2.706) 2.706 3.610 ( 0.000 0.000 3.914) 3.914 3.637 ( 0.000 0.000 1.889) 1.889 3.666 ( 0.000 0.000 3.910) 3.910 3.728 ( 0.000 0.000 -4.723) 4.723 3.754 ( 0.000 0.000 -4.034) 4.034 3.802 ( 0.000 0.000 0.207) 0.207 3.804 ( 0.000 0.000 -0.138) 0.138 3.848 ( 0.000 0.000 -1.897) 1.897 3.903 ( 0.000 0.000 -1.980) 1.980 3.912 ( 0.000 0.000 -5.023) 5.023 3.947 ( 0.000 0.000 -6.949) 6.949 3.966 ( 0.000 0.000 -5.162) 5.162 4.088 ( 0.000 0.000 -1.755) 1.755 4.179 ( 0.000 0.000 -3.503) 3.503 4.226 ( 0.000 0.000 8.604) 8.604 4.284 ( 0.000 0.000 2.328) 2.328 4.357 ( 0.000 0.000 -0.462) 0.462 4.392 ( 0.000 0.000 3.282) 3.282 4.407 ( 0.000 0.000 4.083) 4.083 4.409 ( 0.000 0.000 5.126) 5.126 4.438 ( 0.000 0.000 5.136) 5.136 4.516 ( 0.000 0.000 -1.991) 1.991 5.466 ( 0.000 0.000 3.083) 3.083 5.468 ( 0.000 0.000 1.621) 1.621 5.488 ( 0.000 0.000 -5.350) 5.350 5.529 ( 0.000 0.000 1.779) 1.779 5.553 ( 0.000 0.000 -4.600) 4.600 5.584 ( 0.000 0.000 -0.177) 0.177 5.622 ( 0.000 0.000 -0.407) 0.407 5.661 ( 0.000 0.000 -2.919) 2.919 5.754 ( 0.000 0.000 -4.548) 4.548 5.831 ( 0.000 0.000 3.783) 3.783 5.859 ( 0.000 0.000 3.171) 3.171 5.882 ( 0.000 0.000 -11.934) 11.934 6.364 ( 0.000 0.000 4.691) 4.691 6.507 ( 0.000 0.000 -0.339) 0.339 6.682 ( 0.000 0.000 -3.733) 3.733 6.686 ( 0.000 0.000 -2.107) 2.107 6.689 ( 0.000 0.000 -1.701) 1.701 6.718 ( 0.000 0.000 0.282) 0.282 6.751 ( 0.000 0.000 -2.667) 2.667 6.831 ( 0.000 0.000 4.173) 4.173 6.862 ( 0.000 0.000 -2.929) 2.929 6.919 ( 0.000 0.000 7.988) 7.988 6.987 ( 0.000 0.000 -2.096) 2.096 7.006 ( 0.000 0.000 -1.563) 1.563 7.132 ( 0.000 0.000 -8.726) 8.726 7.271 ( 0.000 0.000 -5.356) 5.356 8.049 ( 0.000 0.000 2.059) 2.059 8.205 ( 0.000 0.000 -3.916) 3.916 8.301 ( 0.000 0.000 -1.238) 1.238 8.358 ( 0.000 0.000 -4.779) 4.779 8.699 ( 0.000 0.000 4.445) 4.445 8.757 ( 0.000 0.000 2.968) 2.968 8.880 ( 0.000 0.000 6.798) 6.798 9.133 ( 0.000 0.000 -5.813) 5.813 9.318 ( 0.000 0.000 2.990) 2.990 9.402 ( 0.000 0.000 -4.124) 4.124 9.421 ( 0.000 0.000 7.293) 7.293 9.455 ( 0.000 0.000 -0.598) 0.598 9.504 ( 0.000 0.000 -2.358) 2.358 9.652 ( 0.000 0.000 4.921) 4.921 9.696 ( 0.000 0.000 -4.444) 4.444 9.702 ( 0.000 0.000 2.616) 2.616 9.727 ( 0.000 0.000 -2.683) 2.683 9.809 ( 0.000 0.000 -5.615) 5.615 9.961 ( 0.000 0.000 1.419) 1.419 9.976 ( 0.000 0.000 1.023) 1.023 10.249 ( 0.000 0.000 5.555) 5.555 10.489 ( 0.000 0.000 -5.755) 5.755 10.836 ( 0.000 0.000 1.489) 1.489 10.845 ( 0.000 0.000 1.466) 1.466 10.905 ( 0.000 0.000 0.641) 0.641 10.905 ( 0.000 0.000 1.025) 1.025 ======================= Grid point 46 (20/30) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.644 0.000 15.252) 15.943 1.185 ( 4.822 0.000 13.477) 14.314 1.310 ( -5.397 0.000 7.401) 9.159 1.313 ( -12.536 0.000 8.664) 15.238 1.655 ( 0.423 0.000 3.588) 3.613 1.660 ( 5.044 0.000 3.912) 6.383 1.682 ( -1.544 0.000 1.899) 2.447 1.747 ( -1.547 0.000 3.715) 4.024 1.804 ( 1.270 0.000 0.619) 1.413 1.841 ( -0.524 0.000 -0.611) 0.805 1.862 ( 1.151 0.000 1.885) 2.208 1.882 ( -0.039 0.000 1.377) 1.377 1.977 ( 3.827 0.000 5.148) 6.415 2.032 ( 0.735 0.000 2.273) 2.389 2.051 ( 1.269 0.000 2.576) 2.872 2.055 ( -3.139 0.000 2.887) 4.265 2.068 ( -0.156 0.000 1.677) 1.684 2.080 ( -2.055 0.000 4.305) 4.770 2.166 ( 1.757 0.000 -1.286) 2.177 2.212 ( -1.593 0.000 -1.925) 2.498 2.310 ( 0.754 0.000 -2.199) 2.325 2.383 ( 1.746 0.000 -1.760) 2.479 2.391 ( -5.319 0.000 -3.601) 6.424 2.431 ( -1.903 0.000 -4.050) 4.475 2.603 ( 9.381 0.000 0.877) 9.421 2.610 ( 0.471 0.000 -1.404) 1.481 2.636 ( -1.792 0.000 3.347) 3.797 2.696 ( 5.898 0.000 -1.628) 6.119 2.826 ( -6.225 0.000 1.881) 6.503 2.837 ( 0.687 0.000 -1.331) 1.498 2.849 ( -0.550 0.000 1.232) 1.350 2.862 ( -5.369 0.000 0.874) 5.440 2.897 ( 2.409 0.000 -2.242) 3.291 2.971 ( -3.359 0.000 -3.402) 4.781 3.087 ( 1.992 0.000 -5.802) 6.134 3.128 ( 1.560 0.000 2.132) 2.642 3.146 ( -3.112 0.000 -7.530) 8.148 3.185 ( -2.850 0.000 0.759) 2.950 3.288 ( 2.717 0.000 -1.196) 2.969 3.305 ( 4.132 0.000 1.492) 4.393 3.330 ( -0.497 0.000 -1.208) 1.306 3.390 ( -2.982 0.000 -1.132) 3.190 3.500 ( 0.857 0.000 -0.636) 1.068 3.522 ( -1.154 0.000 -0.920) 1.476 3.548 ( 1.002 0.000 -3.783) 3.913 3.556 ( 0.297 0.000 -2.200) 2.220 3.628 ( 1.039 0.000 4.581) 4.697 3.644 ( -0.482 0.000 4.339) 4.365 3.722 ( 3.974 0.000 -0.299) 3.985 3.751 ( 1.670 0.000 -5.784) 6.020 3.768 ( 0.455 0.000 -5.224) 5.243 3.791 ( -1.808 0.000 0.266) 1.828 3.821 ( 1.972 0.000 -1.337) 2.382 3.860 ( 1.240 0.000 -2.444) 2.740 3.871 ( -2.170 0.000 -3.245) 3.904 3.895 ( -1.433 0.000 -4.417) 4.644 4.008 ( 3.894 0.000 -3.343) 5.132 4.035 ( 7.272 0.000 -2.114) 7.574 4.103 ( 0.104 0.000 -2.813) 2.815 4.165 ( -1.292 0.000 -2.490) 2.805 4.186 ( -4.626 0.000 0.934) 4.719 4.251 ( 2.463 0.000 7.344) 7.746 4.259 ( -8.424 0.000 -1.887) 8.633 4.329 ( -3.907 0.000 5.128) 6.447 4.430 ( 2.062 0.000 3.312) 3.901 4.443 ( 1.760 0.000 2.816) 3.321 4.457 ( -0.109 0.000 3.132) 3.134 4.487 ( -2.091 0.000 -0.076) 2.093 5.476 ( 0.809 0.000 1.723) 1.903 5.489 ( 0.263 0.000 1.501) 1.524 5.542 ( 1.822 0.000 2.430) 3.037 5.548 ( 4.254 0.000 -3.030) 5.223 5.579 ( -0.832 0.000 0.482) 0.961 5.632 ( 7.058 0.000 -8.432) 10.996 5.657 ( 3.379 0.000 0.356) 3.398 5.666 ( -5.477 0.000 -2.111) 5.870 5.687 ( 2.534 0.000 -2.226) 3.373 5.760 ( -4.715 0.000 2.429) 5.304 5.792 ( -5.401 0.000 1.083) 5.509 5.817 ( -6.744 0.000 -11.833) 13.619 6.434 ( 5.694 0.000 1.203) 5.819 6.569 ( -3.909 0.000 -3.640) 5.341 6.585 ( 3.854 0.000 0.947) 3.968 6.698 ( 3.512 0.000 1.361) 3.766 6.721 ( -4.115 0.000 -2.930) 5.051 6.784 ( 2.251 0.000 -0.551) 2.317 6.789 ( -3.578 0.000 3.359) 4.908 6.810 ( -1.940 0.000 0.025) 1.940 6.811 ( 6.653 0.000 -2.484) 7.102 6.871 ( 0.119 0.000 -0.661) 0.672 6.939 ( -4.268 0.000 -2.294) 4.845 6.952 ( -8.003 0.000 -4.605) 9.234 7.218 ( 10.268 0.000 2.233) 10.508 7.344 ( 0.283 0.000 -1.308) 1.339 8.007 ( -1.850 0.000 1.107) 2.156 8.050 ( -6.302 0.000 0.392) 6.314 8.393 ( 2.445 0.000 -3.593) 4.346 8.407 ( 2.146 0.000 -4.425) 4.918 8.712 ( 1.099 0.000 4.162) 4.305 8.741 ( -1.252 0.000 3.439) 3.659 8.963 ( 6.491 0.000 0.087) 6.492 9.092 ( -3.976 0.000 -5.738) 6.981 9.333 ( 1.217 0.000 2.537) 2.814 9.365 ( -1.636 0.000 1.429) 2.172 9.452 ( 0.585 0.000 0.308) 0.662 9.487 ( -1.765 0.000 -0.210) 1.777 9.494 ( 4.689 0.000 1.297) 4.865 9.609 ( -5.186 0.000 -1.208) 5.325 9.651 ( 0.262 0.000 3.473) 3.483 9.672 ( -1.653 0.000 2.732) 3.193 9.774 ( 1.838 0.000 -5.178) 5.495 9.802 ( -0.712 0.000 -5.655) 5.700 9.986 ( 2.074 0.000 2.734) 3.432 10.012 ( 0.812 0.000 2.630) 2.753 10.281 ( 3.921 0.000 1.597) 4.234 10.411 ( -6.133 0.000 -3.808) 7.220 10.847 ( 0.792 0.000 1.539) 1.731 10.853 ( 0.422 0.000 1.568) 1.623 10.895 ( -0.517 0.000 0.795) 0.949 10.897 ( -0.611 0.000 0.719) 0.943 ======================= Grid point 48 (21/30) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 2.540 15.237) 15.448 1.181 ( 0.000 4.045 15.214) 15.743 1.445 ( 0.000 5.139 2.569) 5.746 1.475 ( 0.000 -7.353 3.521) 8.153 1.525 ( 0.000 0.605 4.824) 4.862 1.608 ( 0.000 -5.733 6.174) 8.426 1.696 ( 0.000 -2.767 5.226) 5.914 1.714 ( 0.000 2.459 6.211) 6.680 1.749 ( 0.000 -1.194 5.191) 5.326 1.872 ( 0.000 0.013 1.883) 1.883 1.899 ( 0.000 1.992 5.077) 5.454 1.918 ( 0.000 4.580 -1.459) 4.807 1.946 ( 0.000 3.542 -0.803) 3.632 1.979 ( 0.000 -5.132 1.265) 5.286 2.008 ( 0.000 -2.164 3.122) 3.799 2.040 ( 0.000 -1.005 1.351) 1.684 2.064 ( 0.000 -3.536 3.126) 4.720 2.109 ( 0.000 0.432 -5.060) 5.078 2.186 ( 0.000 2.926 -1.268) 3.189 2.205 ( 0.000 -1.690 -0.060) 1.691 2.278 ( 0.000 -4.281 2.388) 4.902 2.357 ( 0.000 -2.044 0.409) 2.084 2.413 ( 0.000 2.035 -1.954) 2.821 2.488 ( 0.000 1.901 -2.962) 3.520 2.521 ( 0.000 -1.287 -2.767) 3.051 2.553 ( 0.000 0.237 -4.995) 5.000 2.669 ( 0.000 3.859 -1.293) 4.070 2.726 ( 0.000 3.337 6.441) 7.254 2.821 ( 0.000 -1.250 -1.824) 2.212 2.831 ( 0.000 -1.600 3.015) 3.413 2.888 ( 0.000 2.514 -5.286) 5.853 2.911 ( 0.000 -1.341 -1.478) 1.996 2.947 ( 0.000 2.995 0.030) 2.995 3.041 ( 0.000 -0.718 -3.758) 3.826 3.083 ( 0.000 1.998 -1.368) 2.421 3.115 ( 0.000 -0.099 3.221) 3.222 3.159 ( 0.000 -3.454 -7.232) 8.014 3.215 ( 0.000 0.138 0.145) 0.200 3.233 ( 0.000 -0.389 1.446) 1.498 3.264 ( 0.000 -2.553 -2.029) 3.261 3.298 ( 0.000 -0.633 -1.476) 1.606 3.344 ( 0.000 -4.486 -0.632) 4.531 3.399 ( 0.000 -5.506 2.904) 6.225 3.456 ( 0.000 -3.150 -0.684) 3.224 3.501 ( 0.000 -1.353 -7.678) 7.796 3.504 ( 0.000 -3.801 -2.675) 4.648 3.582 ( 0.000 -5.218 -3.689) 6.390 3.584 ( 0.000 -3.836 -1.862) 4.264 3.740 ( 0.000 5.312 2.693) 5.955 3.743 ( 0.000 3.738 1.153) 3.912 3.755 ( 0.000 0.918 -3.455) 3.575 3.778 ( 0.000 -0.950 0.717) 1.191 3.829 ( 0.000 0.996 -0.020) 0.996 3.888 ( 0.000 3.009 -1.968) 3.595 3.975 ( 0.000 0.558 -4.780) 4.812 3.985 ( 0.000 4.639 -2.366) 5.208 4.012 ( 0.000 6.204 -0.948) 6.276 4.013 ( 0.000 3.554 -3.742) 5.161 4.071 ( 0.000 -1.843 1.146) 2.170 4.122 ( 0.000 -5.241 3.221) 6.152 4.210 ( 0.000 0.220 -0.040) 0.224 4.242 ( 0.000 -3.830 1.807) 4.235 4.292 ( 0.000 -4.645 2.968) 5.512 4.334 ( 0.000 -4.209 5.068) 6.588 4.376 ( 0.000 1.196 0.883) 1.486 4.451 ( 0.000 2.941 1.026) 3.115 4.519 ( 0.000 4.539 0.044) 4.539 4.595 ( 0.000 3.495 -4.568) 5.752 5.448 ( 0.000 -0.574 2.048) 2.127 5.474 ( 0.000 -2.158 0.917) 2.345 5.496 ( 0.000 0.083 -0.191) 0.209 5.497 ( 0.000 1.998 3.267) 3.829 5.554 ( 0.000 -1.243 -0.837) 1.498 5.565 ( 0.000 -0.054 -0.088) 0.103 5.679 ( 0.000 3.224 -4.551) 5.577 5.709 ( 0.000 3.208 -3.280) 4.588 5.836 ( 0.000 4.585 -2.206) 5.088 5.839 ( 0.000 1.307 2.128) 2.498 5.892 ( 0.000 4.091 1.638) 4.406 5.965 ( 0.000 6.424 -8.052) 10.301 6.395 ( 0.000 2.817 4.812) 5.576 6.537 ( 0.000 2.378 0.231) 2.389 6.646 ( 0.000 -0.595 -2.610) 2.677 6.647 ( 0.000 -2.088 -2.034) 2.915 6.725 ( 0.000 -0.360 2.152) 2.182 6.755 ( 0.000 3.148 -3.284) 4.549 6.767 ( 0.000 1.959 -1.848) 2.694 6.842 ( 0.000 -1.965 -2.592) 3.252 6.902 ( 0.000 5.395 2.538) 5.962 6.923 ( 0.000 0.361 6.200) 6.210 6.956 ( 0.000 -1.499 -1.092) 1.855 7.011 ( 0.000 0.231 -0.530) 0.578 7.151 ( 0.000 2.296 -9.572) 9.843 7.286 ( 0.000 1.420 -5.775) 5.947 7.931 ( 0.000 -10.979 0.508) 10.991 8.018 ( 0.000 -16.046 -2.708) 16.273 8.323 ( 0.000 2.079 -0.799) 2.227 8.370 ( 0.000 1.227 -3.447) 3.659 8.634 ( 0.000 -6.558 3.980) 7.671 8.649 ( 0.000 -4.443 2.394) 5.047 9.002 ( 0.000 6.499 2.450) 6.945 9.112 ( 0.000 -1.108 -1.888) 2.189 9.263 ( 0.000 -1.943 -0.450) 1.995 9.322 ( 0.000 -4.267 -2.892) 5.155 9.455 ( 0.000 3.937 3.762) 5.445 9.592 ( 0.000 4.764 -0.879) 4.844 9.597 ( 0.000 5.939 0.856) 6.000 9.647 ( 0.000 -2.699 -2.659) 3.789 9.652 ( 0.000 0.132 4.275) 4.277 9.725 ( 0.000 -0.756 -0.769) 1.078 9.752 ( 0.000 3.273 -2.913) 4.382 9.783 ( 0.000 -0.288 -1.855) 1.877 9.971 ( 0.000 -0.128 1.937) 1.941 10.026 ( 0.000 5.342 -0.980) 5.431 10.217 ( 0.000 -3.071 5.453) 6.258 10.447 ( 0.000 -4.046 -5.142) 6.543 10.827 ( 0.000 -0.629 1.578) 1.699 10.839 ( 0.000 -0.492 1.337) 1.424 10.895 ( 0.000 -0.771 0.908) 1.191 10.897 ( 0.000 -0.666 1.204) 1.375 ======================= Grid point 49 (22/30) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.872 2.930 13.302) 14.466 1.240 ( 3.389 4.336 12.958) 14.078 1.348 ( -8.781 3.552 7.674) 12.190 1.368 ( -6.451 4.232 8.004) 11.117 1.560 ( 4.344 -6.968 2.581) 8.607 1.629 ( 0.616 -4.462 6.179) 7.646 1.635 ( 0.962 -2.136 3.478) 4.193 1.746 ( -1.991 -0.493 4.260) 4.727 1.771 ( 0.033 -3.207 2.221) 3.901 1.790 ( -4.981 -3.380 -1.371) 6.174 1.884 ( -0.696 -0.310 0.007) 0.762 1.903 ( -2.093 0.152 1.025) 2.335 1.944 ( 2.926 0.255 4.258) 5.173 2.016 ( -1.870 -1.753 4.020) 4.768 2.042 ( 2.368 0.203 0.363) 2.404 2.058 ( 2.960 1.106 0.675) 3.231 2.072 ( 1.511 0.113 1.451) 2.098 2.112 ( -1.454 2.176 2.904) 3.909 2.184 ( 1.385 -1.472 -0.174) 2.029 2.214 ( -0.299 1.541 0.773) 1.750 2.273 ( 1.168 -1.976 -2.108) 3.116 2.345 ( -4.121 -0.665 -3.569) 5.492 2.409 ( 1.785 1.549 -2.476) 3.423 2.457 ( -2.230 0.380 -4.096) 4.680 2.589 ( 7.801 0.348 -0.136) 7.810 2.631 ( 2.538 0.806 -1.906) 3.275 2.683 ( -1.805 2.496 1.818) 3.577 2.720 ( 1.787 2.176 0.675) 2.896 2.776 ( -3.326 -2.227 1.141) 4.162 2.840 ( -1.203 -1.196 0.794) 1.873 2.857 ( -1.518 -0.214 -0.433) 1.593 2.873 ( -1.788 1.291 0.218) 2.216 2.949 ( 1.572 3.940 -2.835) 5.102 3.019 ( -3.854 3.061 -2.470) 5.507 3.075 ( 1.744 -0.966 -4.698) 5.103 3.125 ( -1.737 -1.055 -3.726) 4.244 3.142 ( 1.984 -0.126 -1.558) 2.526 3.201 ( -2.143 0.909 0.283) 2.345 3.257 ( 1.977 -2.095 0.654) 2.954 3.295 ( 0.127 -3.912 -1.285) 4.119 3.304 ( 0.892 -0.542 -0.851) 1.346 3.338 ( -0.933 -2.530 0.362) 2.720 3.400 ( 2.687 -5.969 -0.065) 6.546 3.462 ( -1.205 -4.167 -1.826) 4.707 3.513 ( 1.033 -2.682 -1.805) 3.394 3.535 ( -0.127 -1.332 -0.918) 1.622 3.570 ( 0.841 -4.738 -3.670) 6.052 3.585 ( -0.081 -5.039 -2.941) 5.835 3.728 ( 0.504 0.008 -0.821) 0.963 3.747 ( -0.293 2.879 -0.249) 2.905 3.776 ( 0.116 1.414 1.741) 2.245 3.780 ( -0.072 3.668 0.788) 3.752 3.884 ( 4.087 -0.590 0.188) 4.133 3.904 ( 1.310 4.258 -1.938) 4.858 3.938 ( -1.125 1.832 -1.277) 2.501 3.977 ( -2.033 4.443 0.564) 4.918 4.026 ( 1.403 1.966 -4.226) 4.868 4.062 ( 1.857 0.373 -0.684) 2.014 4.075 ( 1.587 -2.049 -2.648) 3.705 4.140 ( 0.063 -3.043 0.070) 3.045 4.179 ( -2.366 -0.698 1.305) 2.791 4.198 ( -1.254 1.181 -1.362) 2.196 4.261 ( -1.355 -3.584 3.799) 5.395 4.297 ( -3.100 -3.093 3.762) 5.773 4.415 ( 2.081 1.419 0.068) 2.520 4.449 ( -0.806 3.076 -0.399) 3.205 4.512 ( 0.880 2.959 0.081) 3.089 4.562 ( -2.599 3.090 -3.145) 5.118 5.471 ( 1.161 -1.733 1.561) 2.606 5.478 ( 1.063 -0.303 3.225) 3.409 5.498 ( 0.275 0.441 2.413) 2.469 5.525 ( -1.004 -2.249 0.779) 2.583 5.589 ( 4.846 0.448 -1.177) 5.007 5.611 ( 3.856 0.015 -2.186) 4.432 5.694 ( 0.922 1.632 -3.395) 3.879 5.717 ( -2.013 1.114 -1.643) 2.827 5.770 ( -2.231 5.289 -0.848) 5.802 5.781 ( -2.062 3.138 0.515) 3.790 5.831 ( -3.660 4.707 -1.571) 6.166 5.902 ( -5.842 5.481 -7.189) 10.763 6.458 ( 5.065 2.351 1.761) 5.855 6.576 ( -4.057 0.788 -2.664) 4.917 6.589 ( 2.925 0.619 1.067) 3.175 6.663 ( -1.380 -1.792 -1.097) 2.514 6.715 ( 2.274 0.563 1.727) 2.910 6.778 ( 0.531 -0.287 0.916) 1.097 6.796 ( -0.435 0.997 0.105) 1.093 6.837 ( -1.811 0.059 0.021) 1.812 6.883 ( 1.275 4.392 -2.540) 5.231 6.897 ( 0.535 2.316 -1.068) 2.606 6.956 ( 0.721 6.375 -2.421) 6.857 7.063 ( -5.856 7.123 -6.307) 11.172 7.174 ( 9.682 -3.938 2.457) 10.737 7.306 ( -1.150 -3.206 -1.308) 3.648 7.895 ( -1.695 -10.722 -0.429) 10.864 7.926 ( -4.757 -12.166 -1.091) 13.109 8.386 ( 2.480 -0.187 -2.651) 3.635 8.394 ( 1.334 0.219 -3.204) 3.477 8.644 ( 0.735 -6.679 2.832) 7.292 8.652 ( 0.094 -5.259 2.199) 5.701 9.027 ( 2.348 4.445 1.420) 5.224 9.087 ( -2.309 0.887 -0.798) 2.600 9.271 ( 1.352 -2.830 -2.647) 4.104 9.316 ( -1.553 -3.089 -4.030) 5.310 9.481 ( 2.736 1.429 2.899) 4.234 9.563 ( -2.135 1.734 1.304) 3.043 9.587 ( -1.320 3.263 2.531) 4.335 9.615 ( -1.076 3.248 1.242) 3.640 9.648 ( 0.298 -0.872 -0.489) 1.043 9.685 ( -2.590 4.013 0.697) 4.826 9.788 ( 2.891 -0.147 -3.146) 4.275 9.817 ( 0.660 2.047 -2.992) 3.684 10.006 ( 1.528 0.694 2.326) 2.868 10.024 ( -0.235 2.945 1.460) 3.295 10.251 ( 3.949 -2.911 1.528) 5.138 10.375 ( -5.711 -3.456 -3.440) 7.509 10.839 ( 0.910 -0.571 1.569) 1.901 10.847 ( 0.429 -0.452 1.482) 1.608 10.885 ( -0.637 -0.890 0.897) 1.416 10.887 ( -0.702 -0.812 1.052) 1.503 ======================= Grid point 51 (23/30) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 3.588 9.705) 10.348 1.232 ( 0.000 -0.737 10.596) 10.621 1.378 ( 0.000 -0.208 6.636) 6.640 1.442 ( 0.000 -4.691 9.110) 10.247 1.566 ( 0.000 2.367 5.788) 6.253 1.573 ( 0.000 0.884 2.733) 2.873 1.680 ( 0.000 -1.873 7.132) 7.373 1.686 ( 0.000 1.078 8.869) 8.934 1.776 ( 0.000 1.878 7.210) 7.450 1.813 ( 0.000 -4.012 2.034) 4.498 1.898 ( 0.000 -1.068 -0.272) 1.102 1.925 ( 0.000 -2.742 -3.254) 4.255 1.982 ( 0.000 2.108 0.811) 2.259 1.993 ( 0.000 -0.063 1.027) 1.029 2.011 ( 0.000 2.001 1.394) 2.438 2.021 ( 0.000 2.158 -0.275) 2.175 2.051 ( 0.000 2.017 -1.411) 2.462 2.098 ( 0.000 -2.655 -3.072) 4.061 2.153 ( 0.000 -2.380 0.407) 2.414 2.160 ( 0.000 -2.684 -0.786) 2.797 2.321 ( 0.000 6.010 0.431) 6.025 2.365 ( 0.000 2.374 -0.791) 2.502 2.456 ( 0.000 -0.582 -2.422) 2.491 2.477 ( 0.000 -3.862 -0.349) 3.878 2.499 ( 0.000 1.297 -0.320) 1.336 2.540 ( 0.000 -1.144 -3.959) 4.121 2.745 ( 0.000 3.032 0.923) 3.169 2.766 ( 0.000 0.698 5.039) 5.087 2.795 ( 0.000 -1.166 -0.172) 1.178 2.796 ( 0.000 -1.699 2.060) 2.670 2.889 ( 0.000 0.007 -2.617) 2.617 2.909 ( 0.000 -0.869 -3.171) 3.288 3.014 ( 0.000 2.782 -3.840) 4.742 3.018 ( 0.000 -0.628 -1.285) 1.431 3.056 ( 0.000 -4.778 -2.948) 5.614 3.059 ( 0.000 -1.749 -2.047) 2.692 3.164 ( 0.000 1.857 0.338) 1.888 3.188 ( 0.000 -1.759 -0.073) 1.760 3.241 ( 0.000 1.015 -0.887) 1.348 3.252 ( 0.000 -1.594 -3.012) 3.408 3.258 ( 0.000 2.842 -3.501) 4.510 3.307 ( 0.000 -0.681 -2.297) 2.396 3.345 ( 0.000 -1.043 3.595) 3.743 3.373 ( 0.000 -4.293 -2.928) 5.197 3.454 ( 0.000 -1.489 -3.920) 4.193 3.468 ( 0.000 -1.494 -2.130) 2.602 3.548 ( 0.000 0.864 1.839) 2.032 3.548 ( 0.000 0.966 -3.600) 3.727 3.716 ( 0.000 -1.218 -1.241) 1.738 3.732 ( 0.000 -2.155 -1.050) 2.397 3.846 ( 0.000 4.006 -0.608) 4.052 3.855 ( 0.000 3.498 2.643) 4.384 3.876 ( 0.000 1.709 -2.223) 2.804 3.920 ( 0.000 -3.511 2.666) 4.409 3.987 ( 0.000 4.860 -0.987) 4.959 4.012 ( 0.000 -1.213 -1.155) 1.675 4.021 ( 0.000 0.094 1.279) 1.282 4.033 ( 0.000 -2.704 -0.701) 2.793 4.074 ( 0.000 -0.468 0.601) 0.762 4.119 ( 0.000 2.079 -1.199) 2.400 4.143 ( 0.000 -2.294 3.817) 4.454 4.223 ( 0.000 -0.915 3.264) 3.390 4.248 ( 0.000 -2.481 1.244) 2.775 4.251 ( 0.000 -0.398 2.260) 2.295 4.417 ( 0.000 3.055 -0.995) 3.213 4.475 ( 0.000 -1.274 -1.616) 2.058 4.602 ( 0.000 2.884 -6.189) 6.828 4.630 ( 0.000 0.099 -8.061) 8.061 5.448 ( 0.000 -0.259 4.432) 4.440 5.448 ( 0.000 0.124 5.381) 5.383 5.500 ( 0.000 0.915 2.688) 2.839 5.525 ( 0.000 -0.386 5.322) 5.336 5.550 ( 0.000 0.447 -1.364) 1.436 5.557 ( 0.000 -0.303 -1.415) 1.447 5.730 ( 0.000 1.825 -5.278) 5.585 5.749 ( 0.000 0.351 -3.496) 3.513 5.870 ( 0.000 1.168 1.700) 2.063 5.879 ( 0.000 0.436 0.678) 0.806 6.023 ( 0.000 5.902 -1.145) 6.012 6.072 ( 0.000 1.902 -4.021) 4.448 6.476 ( 0.000 4.617 3.853) 6.013 6.550 ( 0.000 -1.669 1.312) 2.123 6.651 ( 0.000 1.669 -1.774) 2.436 6.658 ( 0.000 1.121 -2.425) 2.672 6.703 ( 0.000 -0.954 0.410) 1.038 6.736 ( 0.000 -3.891 -2.403) 4.574 6.822 ( 0.000 2.672 -0.099) 2.674 6.841 ( 0.000 1.222 0.134) 1.229 6.920 ( 0.000 -0.437 5.061) 5.080 6.926 ( 0.000 -1.372 1.022) 1.711 7.016 ( 0.000 3.917 -1.468) 4.183 7.040 ( 0.000 1.452 -1.739) 2.266 7.275 ( 0.000 10.703 -7.106) 12.847 7.357 ( 0.000 6.441 -3.997) 7.581 7.635 ( 0.000 -17.885 -5.114) 18.601 7.640 ( 0.000 -14.644 -3.739) 15.113 8.382 ( 0.000 3.107 0.523) 3.150 8.403 ( 0.000 1.380 -0.227) 1.399 8.531 ( 0.000 -3.041 1.180) 3.262 8.545 ( 0.000 -4.361 -0.203) 4.366 9.095 ( 0.000 2.019 -1.775) 2.689 9.104 ( 0.000 0.187 -0.892) 0.912 9.252 ( 0.000 0.233 -1.151) 1.174 9.263 ( 0.000 -1.278 -0.305) 1.314 9.537 ( 0.000 3.338 -0.914) 3.461 9.591 ( 0.000 -2.385 -2.695) 3.599 9.633 ( 0.000 0.419 3.846) 3.869 9.656 ( 0.000 0.552 1.034) 1.172 9.673 ( 0.000 0.717 1.326) 1.507 9.678 ( 0.000 -1.739 1.476) 2.281 9.813 ( 0.000 1.916 -2.056) 2.811 9.829 ( 0.000 1.449 -3.743) 4.014 10.007 ( 0.000 4.481 4.311) 6.218 10.123 ( 0.000 -5.150 3.686) 6.334 10.166 ( 0.000 7.228 -1.230) 7.332 10.325 ( 0.000 -7.197 -3.590) 8.042 10.820 ( 0.000 0.088 1.423) 1.425 10.828 ( 0.000 -0.510 1.210) 1.313 10.881 ( 0.000 -0.418 1.368) 1.431 10.883 ( 0.000 -0.549 1.437) 1.539 ======================= Grid point 52 (24/30) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.661 5.128 9.144) 11.914 1.319 ( 5.637 0.179 9.612) 11.145 1.392 ( -0.447 -0.378 6.170) 6.198 1.443 ( -1.304 2.964 8.319) 8.926 1.483 ( -3.879 0.365 5.050) 6.379 1.521 ( -7.092 -1.579 10.706) 12.939 1.582 ( -0.053 -4.073 4.405) 6.000 1.645 ( -6.054 -7.338 3.727) 10.217 1.737 ( 0.599 2.709 2.701) 3.872 1.798 ( -1.811 1.486 1.921) 3.030 1.831 ( -2.064 -2.590 -2.180) 3.965 1.876 ( -3.158 -2.837 -1.176) 4.405 1.996 ( 1.101 2.203 2.766) 3.704 2.010 ( 0.512 1.810 1.689) 2.528 2.029 ( 3.175 -1.101 0.784) 3.451 2.065 ( 0.768 -1.147 0.792) 1.592 2.110 ( 2.045 1.615 -0.268) 2.619 2.129 ( 4.027 -1.148 0.807) 4.264 2.157 ( -0.930 2.359 1.525) 2.959 2.204 ( -1.252 -2.027 0.905) 2.549 2.313 ( 2.343 4.798 -1.174) 5.467 2.380 ( -2.541 3.415 -3.169) 5.307 2.415 ( 0.780 -3.116 -3.040) 4.422 2.439 ( -1.022 -1.305 -3.254) 3.652 2.599 ( 6.521 0.634 0.087) 6.553 2.627 ( 4.847 -1.512 -1.123) 5.200 2.721 ( -3.260 0.966 2.288) 4.098 2.741 ( -4.539 -1.011 1.050) 4.767 2.774 ( 1.388 2.948 -0.276) 3.270 2.817 ( 0.219 -0.691 0.094) 0.731 2.846 ( -2.050 -0.887 -1.691) 2.802 2.861 ( -2.006 -1.948 -0.259) 2.808 3.025 ( 1.226 2.291 -2.085) 3.331 3.042 ( -0.294 -0.764 -3.584) 3.676 3.049 ( 1.547 -0.657 -3.413) 3.804 3.091 ( -1.120 -2.003 -2.621) 3.483 3.144 ( 2.298 1.525 -0.406) 2.788 3.199 ( 0.915 -2.006 -0.057) 2.205 3.222 ( -2.486 0.032 -2.921) 3.836 3.258 ( -2.183 -0.901 -3.182) 3.962 3.277 ( 1.485 0.366 -0.058) 1.531 3.314 ( 3.216 -1.609 0.075) 3.597 3.331 ( -1.075 1.015 0.396) 1.530 3.385 ( -1.160 -3.207 -0.846) 3.514 3.475 ( 2.385 -0.806 -0.815) 2.646 3.493 ( 1.087 -2.517 -2.884) 3.979 3.517 ( -1.065 0.005 -1.819) 2.108 3.529 ( -1.748 -0.419 0.190) 1.808 3.736 ( 2.217 0.677 0.179) 2.325 3.768 ( 2.940 -2.103 0.205) 3.620 3.808 ( -3.407 2.219 1.102) 4.212 3.839 ( -2.642 -0.525 1.470) 3.069 3.903 ( 3.298 3.984 0.334) 5.183 3.937 ( 0.769 0.535 0.485) 1.055 3.988 ( -0.396 1.918 -1.203) 2.298 4.000 ( -1.792 -0.269 -0.304) 1.837 4.039 ( 1.335 -0.593 -0.979) 1.759 4.047 ( 0.978 -1.308 -0.142) 1.639 4.067 ( 0.559 -1.275 0.455) 1.465 4.100 ( -1.645 -1.287 -0.571) 2.165 4.153 ( 1.525 1.770 3.253) 4.004 4.203 ( -2.292 -1.008 3.323) 4.161 4.227 ( -0.655 -0.381 0.420) 0.866 4.235 ( -1.023 -2.771 2.085) 3.615 4.465 ( 3.520 3.148 -3.890) 6.119 4.507 ( 2.197 0.543 -4.559) 5.089 4.559 ( -2.882 1.985 -5.473) 6.496 4.590 ( -3.124 -0.300 -7.225) 7.877 5.455 ( 1.582 0.332 4.152) 4.456 5.471 ( 1.776 -0.682 4.978) 5.329 5.504 ( -1.724 0.396 3.694) 4.095 5.514 ( -1.437 0.035 4.235) 4.472 5.598 ( 4.876 0.613 -1.442) 5.121 5.611 ( 4.617 -0.405 -0.499) 4.661 5.707 ( -2.965 0.684 -3.613) 4.724 5.724 ( -3.695 -0.495 -1.596) 4.055 5.846 ( 0.087 2.353 -0.186) 2.362 5.855 ( 1.421 1.795 -0.630) 2.375 5.934 ( -5.662 4.068 -1.699) 7.176 5.976 ( -6.977 0.644 -3.591) 7.873 6.530 ( 4.152 4.165 2.358) 6.337 6.591 ( 2.749 -0.649 0.366) 2.848 6.624 ( -3.212 2.747 0.831) 4.308 6.662 ( -2.920 -0.111 -0.027) 2.923 6.720 ( 4.884 1.243 0.336) 5.051 6.770 ( 2.373 -1.574 -0.565) 2.903 6.809 ( -1.920 0.011 0.786) 2.074 6.819 ( -1.503 -0.651 0.557) 1.730 6.958 ( 3.803 4.248 0.175) 5.704 7.005 ( -0.194 6.326 -1.323) 6.465 7.065 ( 7.368 -5.152 1.860) 9.181 7.105 ( 3.299 0.529 -2.177) 3.987 7.246 ( -1.543 11.134 -6.492) 12.981 7.299 ( -4.770 8.212 -3.927) 10.277 7.588 ( -2.401 -17.765 -4.351) 18.447 7.597 ( -2.813 -16.030 -4.717) 16.945 8.417 ( 2.004 2.852 -0.434) 3.513 8.424 ( 1.258 2.355 -0.632) 2.743 8.522 ( -0.427 -4.490 1.390) 4.720 8.532 ( -1.027 -5.213 0.339) 5.324 9.109 ( 1.965 3.473 -0.258) 3.999 9.142 ( 1.218 2.584 -0.745) 2.952 9.216 ( -1.153 -1.913 -1.792) 2.864 9.252 ( -1.978 -3.112 -2.416) 4.408 9.517 ( 0.547 2.004 -0.449) 2.125 9.561 ( -0.212 -1.409 -0.773) 1.621 9.587 ( -3.674 0.256 0.275) 3.693 9.619 ( -3.487 -1.577 -0.185) 3.832 9.712 ( 4.366 3.683 2.538) 6.251 9.767 ( 5.141 -1.673 1.181) 5.533 9.793 ( -2.282 4.126 1.232) 4.873 9.844 ( -0.944 -0.488 -1.061) 1.501 10.052 ( 3.458 4.448 1.848) 5.930 10.130 ( -2.904 6.457 -1.403) 7.218 10.163 ( 3.839 -5.204 1.541) 6.648 10.270 ( -4.538 -6.299 -2.459) 8.144 10.833 ( 1.057 0.102 1.452) 1.798 10.839 ( 0.858 -0.300 1.316) 1.600 10.866 ( -1.080 -0.597 1.332) 1.816 10.869 ( -1.043 -0.734 1.360) 1.864 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.000 -5.781) 5.781 1.358 ( 0.000 0.000 5.781) 5.781 1.397 ( 0.000 0.000 -12.833) 12.833 1.397 ( 0.000 0.000 12.833) 12.833 1.724 ( 0.000 0.000 -6.425) 6.425 1.724 ( 0.000 0.000 6.425) 6.425 1.726 ( 0.000 0.000 -0.748) 0.748 1.726 ( 0.000 0.000 0.748) 0.748 1.852 ( 0.000 0.000 -2.866) 2.866 1.852 ( 0.000 0.000 2.866) 2.866 1.887 ( 0.000 0.000 -0.543) 0.543 1.887 ( 0.000 0.000 0.543) 0.543 1.954 ( 0.000 0.000 -1.346) 1.346 1.954 ( 0.000 0.000 1.346) 1.346 2.075 ( 0.000 0.000 -0.651) 0.651 2.075 ( 0.000 0.000 0.651) 0.651 2.147 ( 0.000 0.000 -3.715) 3.715 2.147 ( 0.000 0.000 3.715) 3.715 2.165 ( 0.000 0.000 -2.416) 2.416 2.165 ( 0.000 0.000 2.416) 2.416 2.379 ( 0.000 0.000 -2.234) 2.234 2.379 ( 0.000 0.000 2.234) 2.234 2.448 ( 0.000 0.000 -4.469) 4.469 2.448 ( 0.000 0.000 4.469) 4.469 2.465 ( 0.000 0.000 -2.334) 2.334 2.465 ( 0.000 0.000 2.334) 2.334 2.620 ( 0.000 0.000 -4.519) 4.519 2.620 ( 0.000 0.000 4.519) 4.519 2.899 ( 0.000 0.000 -7.198) 7.198 2.899 ( 0.000 0.000 7.198) 7.198 2.916 ( 0.000 0.000 -2.841) 2.841 2.916 ( 0.000 0.000 2.841) 2.841 2.917 ( 0.000 0.000 -0.963) 0.963 2.917 ( 0.000 0.000 0.963) 0.963 3.028 ( 0.000 0.000 -5.903) 5.903 3.028 ( 0.000 0.000 5.903) 5.903 3.207 ( 0.000 0.000 -3.826) 3.826 3.207 ( 0.000 0.000 3.826) 3.826 3.259 ( 0.000 0.000 -3.421) 3.421 3.259 ( 0.000 0.000 3.421) 3.421 3.314 ( 0.000 0.000 -3.969) 3.969 3.314 ( 0.000 0.000 3.969) 3.969 3.501 ( 0.000 0.000 -1.676) 1.676 3.501 ( 0.000 0.000 1.676) 1.676 3.512 ( 0.000 0.000 -1.672) 1.672 3.512 ( 0.000 0.000 1.672) 1.672 3.691 ( 0.000 0.000 -1.968) 1.968 3.691 ( 0.000 0.000 1.757) 1.757 3.691 ( 0.000 0.000 -1.757) 1.757 3.691 ( 0.000 0.000 1.968) 1.968 3.717 ( 0.000 0.000 -6.248) 6.248 3.717 ( 0.000 0.000 6.248) 6.248 3.846 ( 0.000 0.000 -1.572) 1.572 3.846 ( 0.000 0.000 1.572) 1.572 3.860 ( 0.000 0.000 -3.552) 3.552 3.860 ( 0.000 0.000 3.552) 3.552 3.881 ( 0.000 0.000 -1.634) 1.634 3.881 ( 0.000 0.000 1.634) 1.634 4.105 ( 0.000 0.000 -2.978) 2.978 4.105 ( 0.000 0.000 2.978) 2.978 4.325 ( 0.000 0.000 -1.912) 1.912 4.325 ( 0.000 0.000 1.912) 1.912 4.375 ( 0.000 0.000 -5.149) 5.149 4.375 ( 0.000 0.000 5.149) 5.149 4.478 ( 0.000 0.000 -1.754) 1.754 4.478 ( 0.000 0.000 1.754) 1.754 4.484 ( 0.000 0.000 -1.561) 1.561 4.484 ( 0.000 0.000 1.561) 1.561 5.455 ( 0.000 0.000 -2.807) 2.807 5.455 ( 0.000 0.000 2.807) 2.807 5.494 ( 0.000 0.000 -0.448) 0.448 5.494 ( 0.000 0.000 0.448) 0.448 5.573 ( 0.000 0.000 -1.703) 1.703 5.573 ( 0.000 0.000 1.703) 1.703 5.613 ( 0.000 0.000 -0.504) 0.504 5.613 ( 0.000 0.000 0.504) 0.504 5.728 ( 0.000 0.000 -2.755) 2.755 5.728 ( 0.000 0.000 2.755) 2.755 5.882 ( 0.000 0.000 -0.889) 0.889 5.882 ( 0.000 0.000 0.889) 0.889 6.462 ( 0.000 0.000 -4.049) 4.049 6.462 ( 0.000 0.000 4.049) 4.049 6.653 ( 0.000 0.000 -1.335) 1.335 6.653 ( 0.000 0.000 1.335) 1.335 6.663 ( 0.000 0.000 -0.099) 0.099 6.663 ( 0.000 0.000 0.099) 0.099 6.787 ( 0.000 0.000 -2.949) 2.949 6.787 ( 0.000 0.000 2.949) 2.949 6.923 ( 0.000 0.000 -4.072) 4.072 6.923 ( 0.000 0.000 4.072) 4.072 7.025 ( 0.000 0.000 -2.337) 2.337 7.025 ( 0.000 0.000 2.337) 2.337 7.114 ( 0.000 0.000 -9.221) 9.221 7.114 ( 0.000 0.000 9.221) 9.221 8.115 ( 0.000 0.000 -4.218) 4.218 8.115 ( 0.000 0.000 4.218) 4.218 8.298 ( 0.000 0.000 -1.264) 1.264 8.298 ( 0.000 0.000 1.264) 1.264 8.769 ( 0.000 0.000 -1.816) 1.816 8.769 ( 0.000 0.000 1.816) 1.816 9.020 ( 0.000 0.000 -6.071) 6.071 9.020 ( 0.000 0.000 6.071) 6.071 9.352 ( 0.000 0.000 -1.146) 1.146 9.352 ( 0.000 0.000 1.146) 1.146 9.459 ( 0.000 0.000 -1.396) 1.396 9.459 ( 0.000 0.000 1.396) 1.396 9.576 ( 0.000 0.000 -7.195) 7.195 9.576 ( 0.000 0.000 7.195) 7.195 9.716 ( 0.000 0.000 -1.284) 1.284 9.716 ( 0.000 0.000 1.284) 1.284 9.721 ( 0.000 0.000 -2.253) 2.253 9.721 ( 0.000 0.000 2.253) 2.253 9.980 ( 0.000 0.000 -0.463) 0.463 9.980 ( 0.000 0.000 0.463) 0.463 10.369 ( 0.000 0.000 -5.926) 5.926 10.369 ( 0.000 0.000 5.926) 5.926 10.856 ( 0.000 0.000 -0.324) 0.324 10.856 ( 0.000 0.000 0.324) 0.324 10.914 ( 0.000 0.000 -0.117) 0.117 10.914 ( 0.000 0.000 0.117) 0.117 ======================= Grid point 62 (26/30) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -2.367 0.000 -6.437) 6.858 1.353 ( -2.367 0.000 6.437) 6.858 1.366 ( 0.453 0.000 -3.032) 3.066 1.366 ( 0.453 0.000 3.032) 3.066 1.703 ( -1.106 0.000 -3.570) 3.737 1.703 ( -1.106 0.000 3.570) 3.737 1.707 ( -0.985 0.000 -0.570) 1.138 1.707 ( -0.985 0.000 0.570) 1.138 1.843 ( -0.151 0.000 -2.103) 2.109 1.843 ( -0.151 0.000 2.103) 2.109 1.895 ( 0.388 0.000 -0.670) 0.775 1.895 ( 0.388 0.000 0.670) 0.775 2.026 ( 4.571 0.000 -1.421) 4.787 2.026 ( 4.571 0.000 1.421) 4.787 2.080 ( 0.242 0.000 -0.317) 0.399 2.080 ( 0.242 0.000 0.317) 0.399 2.128 ( -2.998 0.000 -1.325) 3.278 2.128 ( -2.998 0.000 1.325) 3.278 2.154 ( 0.395 0.000 -1.924) 1.965 2.154 ( 0.395 0.000 1.925) 1.965 2.323 ( -3.509 0.000 -2.650) 4.397 2.323 ( -3.509 0.000 2.650) 4.397 2.365 ( -0.734 0.000 -1.214) 1.419 2.365 ( -0.734 0.000 1.214) 1.419 2.646 ( 1.685 0.000 -3.267) 3.676 2.646 ( 1.685 0.000 3.267) 3.676 2.650 ( 8.460 0.000 -2.787) 8.908 2.650 ( 8.460 0.000 2.787) 8.908 2.848 ( -2.897 0.000 -3.889) 4.849 2.848 ( -2.897 0.000 3.889) 4.849 2.860 ( -5.209 0.000 -1.135) 5.332 2.860 ( -5.209 0.000 1.135) 5.332 2.927 ( 0.529 0.000 -2.057) 2.124 2.927 ( 0.529 0.000 2.057) 2.124 3.010 ( -0.794 0.000 -3.379) 3.471 3.010 ( -0.794 0.000 3.379) 3.471 3.182 ( -0.372 0.000 -2.406) 2.435 3.182 ( -0.372 0.000 2.406) 2.435 3.273 ( 0.132 0.000 -2.253) 2.257 3.273 ( 0.132 0.000 2.253) 2.257 3.350 ( 1.601 0.000 -2.534) 2.997 3.350 ( 1.601 0.000 2.534) 2.997 3.507 ( 0.298 0.000 -0.743) 0.801 3.507 ( 0.298 0.000 0.743) 0.801 3.525 ( 0.911 0.000 -1.017) 1.366 3.525 ( 0.911 0.000 1.017) 1.366 3.695 ( 0.161 0.000 -0.858) 0.873 3.695 ( 0.161 0.000 0.858) 0.873 3.697 ( 0.038 0.000 -0.996) 0.997 3.697 ( 0.038 0.000 0.996) 0.997 3.753 ( 2.960 0.000 -3.994) 4.972 3.753 ( 2.960 0.000 3.994) 4.972 3.821 ( -2.792 0.000 -2.462) 3.722 3.821 ( -2.792 0.000 2.462) 3.722 3.845 ( -0.090 0.000 -0.821) 0.826 3.845 ( -0.090 0.000 0.821) 0.826 3.984 ( 8.261 0.000 -1.600) 8.414 3.984 ( 8.261 0.000 1.600) 8.414 4.110 ( 0.319 0.000 -2.407) 2.428 4.110 ( 0.319 0.000 2.407) 2.428 4.213 ( -8.744 0.000 -1.902) 8.948 4.213 ( -8.744 0.000 1.902) 8.948 4.362 ( -0.711 0.000 -2.563) 2.660 4.362 ( -0.711 0.000 2.563) 2.660 4.477 ( -0.066 0.000 -0.827) 0.829 4.477 ( -0.066 0.000 0.827) 0.829 4.487 ( 0.103 0.000 -1.031) 1.036 4.487 ( 0.103 0.000 1.031) 1.036 5.503 ( 0.423 0.000 -0.505) 0.659 5.503 ( 0.423 0.000 0.505) 0.659 5.517 ( 4.999 0.000 -1.888) 5.343 5.517 ( 4.999 0.000 1.888) 5.343 5.574 ( 0.085 0.000 -0.836) 0.841 5.574 ( 0.085 0.000 0.836) 0.841 5.657 ( 4.107 0.000 -0.368) 4.123 5.657 ( 4.107 0.000 0.368) 4.123 5.664 ( -5.127 0.000 -2.919) 5.900 5.664 ( -5.127 0.000 2.919) 5.900 5.793 ( -6.355 0.000 -0.832) 6.409 5.793 ( -6.355 0.000 0.832) 6.409 6.489 ( 1.294 0.000 -3.758) 3.975 6.489 ( 1.294 0.000 3.758) 3.975 6.624 ( -0.960 0.000 -3.715) 3.837 6.624 ( -0.960 0.000 3.715) 3.837 6.743 ( 5.579 0.000 -2.855) 6.267 6.743 ( 5.579 0.000 2.855) 6.267 6.794 ( 0.029 0.000 -0.868) 0.868 6.794 ( 0.029 0.000 0.868) 0.868 6.876 ( -3.927 0.000 -3.737) 5.421 6.876 ( -3.927 0.000 3.737) 5.421 6.898 ( -4.014 0.000 -1.858) 4.423 6.898 ( -4.014 0.000 1.858) 4.423 7.291 ( 6.862 0.000 -3.755) 7.822 7.291 ( 6.862 0.000 3.755) 7.822 8.037 ( -3.888 0.000 -1.475) 4.158 8.037 ( -3.888 0.000 1.475) 4.158 8.359 ( 2.696 0.000 -0.308) 2.714 8.359 ( 2.696 0.000 0.308) 2.714 8.770 ( 0.021 0.000 -0.907) 0.907 8.770 ( 0.021 0.000 0.907) 0.907 8.998 ( -1.199 0.000 -3.320) 3.530 8.998 ( -1.199 0.000 3.320) 3.530 9.354 ( 0.119 0.000 -0.584) 0.595 9.354 ( 0.119 0.000 0.584) 0.595 9.469 ( 0.598 0.000 -1.187) 1.329 9.469 ( 0.598 0.000 1.187) 1.329 9.585 ( 0.520 0.000 -4.031) 4.065 9.585 ( 0.520 0.000 4.031) 4.065 9.693 ( -1.178 0.000 -0.611) 1.327 9.693 ( -1.178 0.000 0.611) 1.327 9.711 ( -0.634 0.000 -1.595) 1.716 9.711 ( -0.634 0.000 1.595) 1.716 10.028 ( 2.708 0.000 -0.966) 2.876 10.028 ( 2.708 0.000 0.966) 2.876 10.334 ( -2.108 0.000 -3.423) 4.020 10.334 ( -2.108 0.000 3.423) 4.020 10.867 ( 0.717 0.000 -0.235) 0.755 10.867 ( 0.717 0.000 0.235) 0.755 10.904 ( -0.667 0.000 -0.111) 0.676 10.904 ( -0.667 0.000 0.111) 0.676 ======================= Grid point 66 (27/30) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 -2.009 -10.111) 10.309 1.374 ( 0.000 -2.009 10.111) 10.309 1.415 ( 0.000 4.130 -6.543) 7.738 1.415 ( 0.000 4.130 6.543) 7.738 1.655 ( 0.000 -1.101 -3.127) 3.315 1.655 ( 0.000 -1.101 3.127) 3.315 1.752 ( 0.000 -2.551 -0.100) 2.553 1.752 ( 0.000 -2.551 0.100) 2.553 1.842 ( 0.000 1.917 -2.058) 2.813 1.842 ( 0.000 1.917 2.058) 2.813 1.950 ( 0.000 2.728 -0.799) 2.843 1.950 ( 0.000 2.728 0.799) 2.843 1.963 ( 0.000 1.889 -2.965) 3.516 1.963 ( 0.000 1.889 2.965) 3.516 2.043 ( 0.000 -3.851 -0.305) 3.863 2.043 ( 0.000 -3.851 0.305) 3.863 2.065 ( 0.000 -5.247 -1.755) 5.532 2.065 ( 0.000 -5.247 1.755) 5.532 2.187 ( 0.000 0.781 -1.045) 1.305 2.187 ( 0.000 0.781 1.045) 1.305 2.323 ( 0.000 -3.222 -2.327) 3.974 2.323 ( 0.000 -3.222 2.327) 3.974 2.443 ( 0.000 0.821 -3.910) 3.995 2.443 ( 0.000 0.821 3.910) 3.995 2.484 ( 0.000 0.858 -0.595) 1.044 2.484 ( 0.000 0.858 0.595) 1.044 2.711 ( 0.000 5.863 -5.008) 7.711 2.711 ( 0.000 5.863 5.008) 7.711 2.864 ( 0.000 -1.839 -1.970) 2.694 2.864 ( 0.000 -1.839 1.970) 2.694 2.907 ( 0.000 0.290 -6.544) 6.550 2.907 ( 0.000 0.290 6.544) 6.550 2.926 ( 0.000 -1.670 -2.902) 3.348 2.926 ( 0.000 -1.670 2.902) 3.348 3.051 ( 0.000 1.656 -0.306) 1.684 3.051 ( 0.000 1.656 0.306) 1.684 3.191 ( 0.000 -2.094 -3.725) 4.273 3.191 ( 0.000 -2.094 3.725) 4.273 3.254 ( 0.000 0.102 -2.124) 2.126 3.254 ( 0.000 0.102 2.124) 2.126 3.300 ( 0.000 -2.405 -3.526) 4.268 3.300 ( 0.000 -2.405 3.526) 4.268 3.426 ( 0.000 -6.037 -0.591) 6.066 3.426 ( 0.000 -6.037 0.591) 6.066 3.458 ( 0.000 -1.531 -1.809) 2.370 3.458 ( 0.000 -1.531 1.809) 2.370 3.555 ( 0.000 -4.046 -1.040) 4.178 3.555 ( 0.000 -4.046 1.040) 4.178 3.738 ( 0.000 1.398 -1.596) 2.122 3.738 ( 0.000 1.398 1.596) 2.122 3.804 ( 0.000 4.795 -2.159) 5.259 3.804 ( 0.000 4.795 2.159) 5.259 3.834 ( 0.000 -0.640 -0.954) 1.149 3.834 ( 0.000 -0.640 0.954) 1.149 3.931 ( 0.000 3.222 -0.651) 3.287 3.931 ( 0.000 3.222 0.651) 3.287 3.982 ( 0.000 7.101 -0.917) 7.160 3.982 ( 0.000 7.101 0.917) 7.160 4.119 ( 0.000 0.215 -2.509) 2.518 4.119 ( 0.000 0.215 2.509) 2.518 4.239 ( 0.000 -5.028 -1.272) 5.186 4.239 ( 0.000 -5.028 1.272) 5.186 4.359 ( 0.000 -1.638 -1.007) 1.922 4.359 ( 0.000 -1.638 1.007) 1.922 4.475 ( 0.000 -1.091 -4.738) 4.862 4.475 ( 0.000 -1.091 4.738) 4.862 4.483 ( 0.000 -0.089 -0.956) 0.960 4.483 ( 0.000 -0.089 0.956) 0.960 5.475 ( 0.000 1.780 -1.491) 2.322 5.475 ( 0.000 1.780 1.491) 2.322 5.517 ( 0.000 1.301 -0.552) 1.413 5.517 ( 0.000 1.301 0.552) 1.413 5.574 ( 0.000 0.558 -2.783) 2.839 5.574 ( 0.000 0.558 2.783) 2.839 5.626 ( 0.000 1.772 -3.869) 4.255 5.626 ( 0.000 1.772 3.869) 4.255 5.820 ( 0.000 5.801 -1.378) 5.962 5.820 ( 0.000 5.801 1.378) 5.962 5.908 ( 0.000 3.176 -0.035) 3.177 5.908 ( 0.000 3.176 0.035) 3.177 6.496 ( 0.000 2.803 -4.185) 5.037 6.496 ( 0.000 2.803 4.185) 5.037 6.617 ( 0.000 -0.987 -0.079) 0.990 6.617 ( 0.000 -0.987 0.079) 0.990 6.717 ( 0.000 2.315 -0.100) 2.317 6.717 ( 0.000 2.315 0.100) 2.317 6.787 ( 0.000 0.150 -2.086) 2.092 6.787 ( 0.000 0.150 2.086) 2.092 6.934 ( 0.000 1.237 -1.494) 1.940 6.934 ( 0.000 1.237 1.494) 1.940 7.031 ( 0.000 0.390 -2.604) 2.634 7.031 ( 0.000 0.390 2.604) 2.634 7.118 ( 0.000 1.182 -9.733) 9.805 7.118 ( 0.000 1.182 9.733) 9.805 7.961 ( 0.000 -14.026 -2.403) 14.231 7.961 ( 0.000 -14.026 2.403) 14.231 8.324 ( 0.000 2.409 -1.115) 2.655 8.324 ( 0.000 2.409 1.115) 2.655 8.681 ( 0.000 -6.587 -0.076) 6.588 8.681 ( 0.000 -6.587 0.076) 6.588 9.054 ( 0.000 2.038 -2.832) 3.489 9.054 ( 0.000 2.038 2.832) 3.489 9.281 ( 0.000 -2.778 -1.455) 3.136 9.281 ( 0.000 -2.778 1.455) 3.136 9.552 ( 0.000 0.317 -5.074) 5.084 9.552 ( 0.000 0.317 5.074) 5.084 9.592 ( 0.000 5.441 -0.569) 5.471 9.592 ( 0.000 5.441 0.569) 5.471 9.709 ( 0.000 -0.956 -1.237) 1.563 9.709 ( 0.000 -0.956 1.237) 1.563 9.745 ( 0.000 2.155 -1.863) 2.849 9.745 ( 0.000 2.155 1.863) 2.849 10.002 ( 0.000 2.345 -1.213) 2.640 10.002 ( 0.000 2.345 1.213) 2.640 10.334 ( 0.000 -3.248 -5.728) 6.585 10.334 ( 0.000 -3.248 5.728) 6.585 10.849 ( 0.000 -0.598 -0.385) 0.711 10.849 ( 0.000 -0.598 0.385) 0.711 10.907 ( 0.000 -0.530 -0.143) 0.549 10.907 ( 0.000 -0.530 0.143) 0.549 ======================= Grid point 68 (28/30) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.077 0.793 -6.462) 6.510 1.358 ( 0.077 0.793 6.462) 6.510 1.428 ( -1.211 4.718 -3.832) 6.197 1.428 ( -1.211 4.718 3.832) 6.197 1.630 ( 1.655 -4.038 -3.950) 5.886 1.630 ( 1.655 -4.038 3.950) 5.886 1.731 ( -4.699 -0.826 -2.505) 5.388 1.731 ( -4.699 -0.826 2.505) 5.388 1.810 ( 0.696 -2.186 -1.176) 2.578 1.810 ( 0.696 -2.186 1.176) 2.578 1.881 ( -3.130 -0.885 -1.923) 3.779 1.881 ( -3.130 -0.885 1.923) 3.779 2.018 ( 1.938 -1.036 -1.979) 2.957 2.018 ( 1.938 -1.036 1.979) 2.957 2.063 ( 1.481 -0.867 -1.222) 2.107 2.063 ( 1.481 -0.867 1.222) 2.107 2.119 ( 2.295 -0.258 -2.155) 3.159 2.119 ( 2.295 -0.258 2.155) 3.159 2.191 ( 1.046 2.022 -1.807) 2.907 2.191 ( 1.046 2.022 1.807) 2.907 2.270 ( -3.949 -1.595 -2.414) 4.895 2.270 ( -3.949 -1.595 2.414) 4.895 2.396 ( -0.739 0.671 -1.469) 1.776 2.396 ( -0.739 0.671 1.469) 1.776 2.611 ( 6.696 -0.361 -1.702) 6.918 2.611 ( 6.696 -0.361 1.702) 6.918 2.723 ( -1.305 3.081 -2.302) 4.062 2.723 ( -1.305 3.081 2.302) 4.062 2.815 ( -0.719 -0.770 -2.630) 2.833 2.815 ( -0.719 -0.770 2.630) 2.833 2.884 ( -3.336 -0.854 -5.383) 6.390 2.884 ( -3.336 -0.854 5.383) 6.390 2.932 ( 0.852 0.874 -3.034) 3.271 2.932 ( 0.852 0.874 3.034) 3.271 3.027 ( -1.298 1.431 -1.779) 2.627 3.027 ( -1.298 1.431 1.779) 2.627 3.197 ( 0.551 0.541 -3.063) 3.159 3.197 ( 0.551 0.541 3.063) 3.159 3.251 ( -0.749 -1.833 -2.265) 3.009 3.251 ( -0.749 -1.833 2.265) 3.009 3.326 ( 1.858 -2.585 -1.797) 3.656 3.326 ( 1.858 -2.585 1.797) 3.656 3.425 ( 0.054 -5.217 -1.858) 5.538 3.425 ( 0.054 -5.217 1.858) 5.538 3.497 ( 2.310 -2.308 -1.239) 3.493 3.497 ( 2.310 -2.308 1.239) 3.493 3.537 ( -1.370 -4.854 -1.473) 5.255 3.537 ( -1.370 -4.854 1.473) 5.255 3.752 ( 0.275 2.886 -1.402) 3.221 3.752 ( 0.275 2.886 1.402) 3.221 3.813 ( 0.558 4.049 -1.419) 4.327 3.813 ( 0.558 4.049 1.419) 4.327 3.872 ( 2.430 -0.185 -2.102) 3.218 3.872 ( 2.430 -0.185 2.102) 3.218 3.947 ( -0.128 5.516 -0.413) 5.533 3.947 ( -0.128 5.516 0.413) 5.533 3.999 ( 4.031 2.439 -3.233) 5.714 3.999 ( 4.031 2.439 3.233) 5.714 4.116 ( -1.666 -2.159 -2.665) 3.813 4.116 ( -1.666 -2.159 2.665) 3.813 4.181 ( -3.963 0.392 -0.349) 3.998 4.181 ( -3.963 0.392 0.349) 3.998 4.326 ( -1.805 -2.407 -1.203) 3.240 4.326 ( -1.805 -2.407 1.203) 3.240 4.469 ( 0.028 -1.191 -3.622) 3.813 4.469 ( 0.028 -1.191 3.622) 3.813 4.478 ( -0.520 -0.937 -3.902) 4.046 4.478 ( -0.520 -0.937 3.902) 4.046 5.512 ( 2.356 0.786 -1.425) 2.863 5.512 ( 2.356 0.786 1.425) 2.863 5.537 ( 1.196 1.307 -1.633) 2.410 5.537 ( 1.196 1.307 1.633) 2.410 5.567 ( -0.300 0.595 -3.144) 3.213 5.567 ( -0.300 0.595 3.144) 3.214 5.667 ( 2.989 1.403 -2.079) 3.902 5.667 ( 2.989 1.403 2.079) 3.902 5.764 ( -2.880 5.360 -0.922) 6.155 5.764 ( -2.880 5.360 0.922) 6.155 5.828 ( -5.766 3.920 -1.159) 7.068 5.828 ( -5.766 3.920 1.159) 7.068 6.513 ( 0.909 2.229 -3.222) 4.022 6.513 ( 0.909 2.229 3.222) 4.022 6.617 ( -0.597 0.270 -2.187) 2.283 6.617 ( -0.597 0.270 2.187) 2.283 6.759 ( 4.133 0.616 -2.413) 4.825 6.759 ( 4.133 0.616 2.413) 4.825 6.811 ( 1.101 0.940 -1.328) 1.965 6.811 ( 1.101 0.940 1.328) 1.965 6.876 ( -3.019 2.301 -1.163) 3.970 6.876 ( -3.019 2.301 1.163) 3.970 6.974 ( -3.030 5.531 -3.030) 6.997 6.974 ( -3.030 5.531 3.030) 6.997 7.250 ( 6.006 -3.655 -3.960) 8.069 7.250 ( 6.006 -3.655 3.960) 8.069 7.901 ( -3.386 -13.076 -0.997) 13.544 7.901 ( -3.386 -13.076 0.997) 13.544 8.359 ( 1.804 1.005 -0.208) 2.076 8.359 ( 1.804 1.005 0.208) 2.076 8.679 ( -0.115 -6.672 -0.125) 6.674 8.679 ( -0.115 -6.672 0.125) 6.674 9.058 ( 0.276 3.865 -1.613) 4.197 9.058 ( 0.276 3.865 1.613) 4.197 9.256 ( -1.425 -4.055 -1.326) 4.498 9.256 ( -1.425 -4.055 1.326) 4.498 9.546 ( 0.760 -0.018 -2.761) 2.864 9.546 ( 0.760 -0.018 2.761) 2.864 9.630 ( -0.283 1.405 -1.363) 1.978 9.630 ( -0.283 1.405 1.363) 1.978 9.660 ( -0.582 3.530 -3.462) 4.978 9.660 ( -0.582 3.530 3.462) 4.978 9.766 ( 0.311 2.878 -1.655) 3.334 9.766 ( 0.311 2.878 1.655) 3.334 10.036 ( 2.105 1.091 -0.651) 2.459 10.036 ( 2.105 1.091 0.651) 2.459 10.303 ( -1.950 -3.003 -3.333) 4.891 10.303 ( -1.950 -3.003 3.333) 4.891 10.860 ( 0.777 -0.553 -0.279) 0.993 10.860 ( 0.777 -0.553 0.279) 0.993 10.896 ( -0.777 -0.659 -0.141) 1.028 10.896 ( -0.777 -0.659 0.141) 1.028 ======================= Grid point 72 (29/30) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 -1.931 -3.004) 3.571 1.322 ( 0.000 -1.931 3.004) 3.571 1.484 ( 0.000 1.713 -3.640) 4.022 1.484 ( 0.000 1.712 3.640) 4.022 1.695 ( 0.000 1.928 -5.723) 6.039 1.695 ( 0.000 1.928 5.723) 6.039 1.708 ( 0.000 0.878 -6.764) 6.821 1.708 ( 0.000 0.878 6.764) 6.821 1.853 ( 0.000 -2.181 -3.488) 4.114 1.853 ( 0.000 -2.181 3.488) 4.114 1.919 ( 0.000 -3.114 -2.355) 3.905 1.919 ( 0.000 -3.114 2.355) 3.905 1.989 ( 0.000 -0.179 -0.422) 0.458 1.989 ( 0.000 -0.179 0.422) 0.458 2.002 ( 0.000 0.067 -3.132) 3.133 2.002 ( 0.000 0.067 3.132) 3.133 2.031 ( 0.000 2.023 -0.927) 2.226 2.031 ( 0.000 2.023 0.927) 2.226 2.156 ( 0.000 -2.672 -0.114) 2.674 2.156 ( 0.000 -2.672 0.114) 2.674 2.327 ( 0.000 2.871 -1.207) 3.115 2.327 ( 0.000 2.871 1.207) 3.115 2.447 ( 0.000 -1.578 -1.985) 2.536 2.447 ( 0.000 -1.578 1.985) 2.536 2.502 ( 0.000 1.157 -0.128) 1.164 2.502 ( 0.000 1.157 0.128) 1.164 2.787 ( 0.000 1.049 -1.591) 1.906 2.787 ( 0.000 1.049 1.591) 1.906 2.846 ( 0.000 0.247 -0.323) 0.407 2.846 ( 0.000 0.247 0.323) 0.407 2.868 ( 0.000 -2.821 -1.763) 3.327 2.868 ( 0.000 -2.821 1.763) 3.327 2.947 ( 0.000 3.704 -0.586) 3.750 2.947 ( 0.000 3.704 0.586) 3.750 3.037 ( 0.000 -3.435 -3.051) 4.595 3.037 ( 0.000 -3.435 3.051) 4.595 3.144 ( 0.000 -1.495 -1.285) 1.971 3.144 ( 0.000 -1.495 1.285) 1.971 3.208 ( 0.000 -2.360 -0.640) 2.446 3.208 ( 0.000 -2.360 0.640) 2.446 3.294 ( 0.000 0.888 -2.009) 2.196 3.294 ( 0.000 0.888 2.009) 2.196 3.352 ( 0.000 -0.835 -0.936) 1.254 3.352 ( 0.000 -0.835 0.936) 1.254 3.430 ( 0.000 -1.105 -1.190) 1.624 3.430 ( 0.000 -1.105 1.190) 1.624 3.550 ( 0.000 1.381 -1.621) 2.130 3.550 ( 0.000 1.381 1.621) 2.130 3.763 ( 0.000 0.885 -3.912) 4.011 3.763 ( 0.000 0.885 3.912) 4.011 3.790 ( 0.000 -1.214 -3.840) 4.027 3.790 ( 0.000 -1.214 3.840) 4.027 3.919 ( 0.000 3.311 -2.797) 4.335 3.919 ( 0.000 3.311 2.797) 4.335 3.986 ( 0.000 2.350 -1.238) 2.656 3.986 ( 0.000 2.350 1.238) 2.656 4.032 ( 0.000 -2.791 -0.007) 2.791 4.032 ( 0.000 -2.791 0.007) 2.791 4.092 ( 0.000 -1.069 -1.445) 1.797 4.092 ( 0.000 -1.069 1.445) 1.797 4.225 ( 0.000 3.486 -3.233) 4.754 4.225 ( 0.000 3.486 3.233) 4.754 4.311 ( 0.000 -3.350 -0.408) 3.375 4.311 ( 0.000 -3.350 0.408) 3.375 4.456 ( 0.000 -0.151 -6.695) 6.696 4.456 ( 0.000 -0.151 6.695) 6.696 4.472 ( 0.000 -0.720 -3.868) 3.935 4.472 ( 0.000 -0.720 3.868) 3.935 5.512 ( 0.000 1.425 -0.702) 1.588 5.512 ( 0.000 1.425 0.702) 1.588 5.532 ( 0.000 -0.007 -1.048) 1.048 5.532 ( 0.000 -0.007 1.048) 1.048 5.601 ( 0.000 1.436 -4.861) 5.069 5.601 ( 0.000 1.436 4.861) 5.069 5.654 ( 0.000 0.372 -4.702) 4.717 5.654 ( 0.000 0.372 4.702) 4.717 5.885 ( 0.000 1.069 -0.028) 1.069 5.885 ( 0.000 1.069 0.028) 1.069 6.013 ( 0.000 4.195 -1.046) 4.323 6.013 ( 0.000 4.195 1.046) 4.323 6.540 ( 0.000 1.098 -1.856) 2.157 6.540 ( 0.000 1.098 1.856) 2.157 6.636 ( 0.000 1.845 -0.200) 1.856 6.636 ( 0.000 1.845 0.200) 1.856 6.707 ( 0.000 -2.039 -0.390) 2.076 6.707 ( 0.000 -2.039 0.390) 2.076 6.827 ( 0.000 2.455 -0.876) 2.606 6.827 ( 0.000 2.455 0.876) 2.606 6.966 ( 0.000 1.758 -2.323) 2.913 6.966 ( 0.000 1.758 2.323) 2.913 7.014 ( 0.000 -2.182 -1.831) 2.848 7.014 ( 0.000 -2.182 1.831) 2.848 7.244 ( 0.000 12.048 -4.394) 12.824 7.244 ( 0.000 12.048 4.394) 12.824 7.592 ( 0.000 -19.157 -0.552) 19.165 7.592 ( 0.000 -19.157 0.552) 19.165 8.393 ( 0.000 3.676 -0.608) 3.726 8.393 ( 0.000 3.676 0.608) 3.726 8.547 ( 0.000 -5.348 -0.128) 5.349 8.547 ( 0.000 -5.348 0.128) 5.349 9.083 ( 0.000 0.709 -0.610) 0.936 9.083 ( 0.000 0.709 0.610) 0.936 9.251 ( 0.000 -0.491 -0.666) 0.827 9.251 ( 0.000 -0.491 0.666) 0.827 9.544 ( 0.000 -0.230 -1.563) 1.580 9.544 ( 0.000 -0.230 1.563) 1.580 9.680 ( 0.000 2.074 -0.231) 2.087 9.680 ( 0.000 2.074 0.231) 2.087 9.689 ( 0.000 -0.637 -0.376) 0.740 9.689 ( 0.000 -0.637 0.376) 0.740 9.782 ( 0.000 0.968 -0.068) 0.971 9.782 ( 0.000 0.968 0.068) 0.971 10.086 ( 0.000 5.162 -3.462) 6.216 10.086 ( 0.000 5.162 3.462) 6.216 10.240 ( 0.000 -5.187 -4.613) 6.942 10.240 ( 0.000 -5.187 4.613) 6.942 10.838 ( 0.000 -0.272 -0.224) 0.352 10.838 ( 0.000 -0.272 0.224) 0.352 10.896 ( 0.000 -0.367 -0.093) 0.379 10.896 ( 0.000 -0.367 0.093) 0.379 ======================= Grid point 74 (30/30) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 4.697 0.350 -3.753) 6.023 1.373 ( 4.697 0.350 3.753) 6.023 1.517 ( -1.619 2.483 -3.758) 4.786 1.517 ( -1.618 2.483 3.758) 4.786 1.572 ( -2.582 -0.492 -4.123) 4.890 1.572 ( -2.582 -0.492 4.123) 4.890 1.677 ( -5.437 -3.294 -3.101) 7.073 1.677 ( -5.437 -3.294 3.101) 7.073 1.784 ( -0.208 -0.150 -0.833) 0.872 1.784 ( -0.208 -0.150 0.833) 0.872 1.855 ( -3.960 -1.349 -2.021) 4.646 1.855 ( -3.960 -1.349 2.021) 4.646 2.016 ( 1.779 1.169 -0.221) 2.140 2.016 ( 1.779 1.169 0.221) 2.140 2.046 ( 1.670 -1.255 -1.461) 2.550 2.046 ( 1.670 -1.255 1.461) 2.550 2.121 ( 4.693 0.540 -1.079) 4.846 2.121 ( 4.693 0.540 1.079) 4.846 2.190 ( 0.483 -1.306 -1.850) 2.316 2.190 ( 0.483 -1.306 1.850) 2.316 2.310 ( -1.365 4.308 -2.031) 4.955 2.310 ( -1.365 4.308 2.031) 4.955 2.389 ( -1.473 -1.848 -0.817) 2.500 2.389 ( -1.473 -1.848 0.817) 2.500 2.613 ( 6.526 0.195 -0.932) 6.595 2.613 ( 6.526 0.195 0.932) 6.595 2.755 ( -5.480 0.337 -0.966) 5.575 2.755 ( -5.480 0.337 0.966) 5.575 2.808 ( 0.689 0.037 -2.805) 2.889 2.808 ( 0.689 0.037 2.805) 2.889 2.844 ( -1.848 -2.203 -2.395) 3.742 2.844 ( -1.848 -2.203 2.395) 3.742 2.971 ( 1.293 2.943 -0.562) 3.263 2.971 ( 1.293 2.943 0.562) 3.263 3.033 ( -0.508 -1.567 -1.971) 2.569 3.033 ( -0.508 -1.567 1.971) 2.569 3.163 ( 2.111 -2.029 -1.984) 3.537 3.163 ( 2.111 -2.029 1.984) 3.537 3.221 ( -1.412 -1.714 -1.211) 2.529 3.221 ( -1.412 -1.714 1.211) 2.529 3.286 ( 1.326 0.303 -1.892) 2.330 3.286 ( 1.326 0.303 1.892) 2.330 3.352 ( -0.529 -1.677 -2.154) 2.780 3.352 ( -0.529 -1.677 2.154) 2.780 3.466 ( 2.535 -0.181 -1.016) 2.737 3.466 ( 2.535 -0.181 1.016) 2.737 3.525 ( -1.974 1.223 -1.736) 2.899 3.525 ( -1.974 1.223 1.736) 2.899 3.791 ( 1.074 0.480 -2.835) 3.069 3.791 ( 1.074 0.480 2.835) 3.069 3.822 ( 2.362 -2.116 -3.062) 4.408 3.822 ( 2.362 -2.116 3.062) 4.409 3.913 ( 0.836 3.324 -1.985) 3.960 3.913 ( 0.836 3.324 1.985) 3.960 3.987 ( -1.801 -0.507 -1.267) 2.260 3.987 ( -1.801 -0.507 1.267) 2.260 4.032 ( 0.729 0.952 -0.691) 1.384 4.032 ( 0.729 0.952 0.691) 1.384 4.084 ( -0.473 -0.427 -0.919) 1.119 4.084 ( -0.473 -0.427 0.919) 1.119 4.226 ( 0.439 2.511 -2.369) 3.479 4.226 ( 0.439 2.511 2.369) 3.479 4.279 ( -2.284 -2.195 -1.206) 3.389 4.279 ( -2.284 -2.195 1.206) 3.389 4.442 ( -0.756 -0.500 -3.916) 4.019 4.442 ( -0.756 -0.500 3.916) 4.019 4.454 ( -0.896 -1.186 -1.941) 2.445 4.454 ( -0.896 -1.186 1.941) 2.445 5.528 ( 1.388 0.702 -1.225) 1.980 5.528 ( 1.388 0.702 1.225) 1.980 5.551 ( 0.830 0.037 -0.214) 0.858 5.551 ( 0.830 0.037 0.214) 0.858 5.613 ( 0.120 3.037 -4.142) 5.137 5.613 ( 0.120 3.037 4.142) 5.137 5.666 ( 1.303 -1.542 -3.623) 4.148 5.666 ( 1.303 -1.542 3.623) 4.148 5.843 ( -1.218 2.027 -0.180) 2.372 5.843 ( -1.218 2.027 0.180) 2.372 5.920 ( -6.251 2.879 -1.148) 6.977 5.920 ( -6.251 2.879 1.148) 6.977 6.571 ( 2.246 2.745 -1.526) 3.861 6.571 ( 2.246 2.745 1.526) 3.861 6.649 ( -1.725 1.484 -1.083) 2.520 6.649 ( -1.725 1.484 1.083) 2.520 6.747 ( 5.008 -1.057 -1.766) 5.415 6.747 ( 5.008 -1.057 1.766) 5.415 6.825 ( -1.537 0.481 -0.284) 1.635 6.825 ( -1.537 0.481 0.284) 1.635 6.973 ( 1.672 6.060 -1.394) 6.439 6.973 ( 1.672 6.060 1.394) 6.439 7.084 ( 2.718 -1.004 -0.062) 2.898 7.084 ( 2.718 -1.004 0.062) 2.898 7.215 ( -1.158 7.717 -3.407) 8.515 7.215 ( -1.158 7.717 3.407) 8.515 7.542 ( -3.132 -19.029 -0.528) 19.293 7.542 ( -3.132 -19.029 0.528) 19.293 8.415 ( 1.252 3.964 -0.239) 4.164 8.415 ( 1.252 3.964 0.239) 4.164 8.539 ( -0.492 -6.050 -0.114) 6.071 8.539 ( -0.492 -6.050 0.114) 6.071 9.117 ( 2.790 1.485 -1.129) 3.356 9.117 ( 2.790 1.485 1.129) 3.356 9.213 ( -3.182 -0.604 -1.218) 3.460 9.213 ( -3.182 -0.604 1.218) 3.460 9.529 ( 1.061 -0.675 -1.476) 1.939 9.529 ( 1.061 -0.675 1.476) 1.939 9.606 ( -4.737 -0.894 -1.005) 4.924 9.606 ( -4.737 -0.894 1.005) 4.924 9.761 ( 4.385 2.461 -1.835) 5.353 9.761 ( 4.385 2.461 1.835) 5.353 9.817 ( 0.376 1.613 -1.149) 2.016 9.817 ( 0.376 1.613 1.149) 2.016 10.092 ( 0.590 4.304 -1.929) 4.753 10.092 ( 0.590 4.304 1.929) 4.753 10.213 ( -1.702 -5.111 -2.860) 6.099 10.213 ( -1.702 -5.111 2.860) 6.099 10.851 ( 1.025 -0.183 -0.185) 1.058 10.851 ( 1.025 -0.183 0.185) 1.058 10.882 ( -1.119 -0.515 -0.111) 1.237 10.882 ( -1.119 -0.515 0.111) 1.237 =================== 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 3/14400 10.0 52.873 45.838 66.115 0.000 0.000 0.000 3/14400 20.0 13.508 10.430 16.170 0.000 0.000 0.000 3/14400 30.0 6.024 4.619 7.082 0.000 0.000 0.000 3/14400 40.0 3.458 2.695 4.010 0.000 0.000 0.000 3/14400 50.0 2.292 1.821 2.641 0.000 0.000 0.000 3/14400 60.0 1.667 1.346 1.916 0.000 0.000 0.000 3/14400 70.0 1.293 1.060 1.486 0.000 0.000 0.000 3/14400 80.0 1.051 0.872 1.208 0.000 0.000 0.000 3/14400 90.0 0.884 0.742 1.017 0.000 0.000 0.000 3/14400 100.0 0.764 0.648 0.879 0.000 0.000 0.000 3/14400 110.0 0.673 0.576 0.775 0.000 0.000 0.000 3/14400 120.0 0.602 0.520 0.693 0.000 0.000 0.000 3/14400 130.0 0.546 0.474 0.628 0.000 0.000 0.000 3/14400 140.0 0.500 0.437 0.575 0.000 0.000 0.000 3/14400 150.0 0.461 0.406 0.530 0.000 0.000 0.000 3/14400 160.0 0.428 0.379 0.493 0.000 0.000 0.000 3/14400 170.0 0.400 0.356 0.460 0.000 0.000 0.000 3/14400 180.0 0.376 0.335 0.432 0.000 0.000 0.000 3/14400 190.0 0.355 0.317 0.407 0.000 0.000 0.000 3/14400 200.0 0.336 0.301 0.385 0.000 0.000 0.000 3/14400 210.0 0.319 0.287 0.365 0.000 0.000 0.000 3/14400 220.0 0.303 0.274 0.348 0.000 0.000 0.000 3/14400 230.0 0.289 0.262 0.332 0.000 0.000 0.000 3/14400 240.0 0.277 0.251 0.317 0.000 0.000 0.000 3/14400 250.0 0.265 0.241 0.304 0.000 0.000 0.000 3/14400 260.0 0.255 0.232 0.292 0.000 0.000 0.000 3/14400 270.0 0.245 0.223 0.281 0.000 0.000 0.000 3/14400 280.0 0.236 0.215 0.270 0.000 0.000 0.000 3/14400 290.0 0.228 0.208 0.261 0.000 0.000 0.000 3/14400 300.0 0.220 0.201 0.252 0.000 0.000 0.000 3/14400 310.0 0.213 0.195 0.243 0.000 0.000 0.000 3/14400 320.0 0.206 0.189 0.236 0.000 0.000 0.000 3/14400 330.0 0.200 0.183 0.228 0.000 0.000 0.000 3/14400 340.0 0.194 0.178 0.222 0.000 0.000 0.000 3/14400 350.0 0.188 0.173 0.215 0.000 0.000 0.000 3/14400 360.0 0.183 0.168 0.209 0.000 0.000 0.000 3/14400 370.0 0.178 0.164 0.203 0.000 0.000 0.000 3/14400 380.0 0.173 0.159 0.198 0.000 0.000 0.000 3/14400 390.0 0.169 0.155 0.193 0.000 0.000 0.000 3/14400 400.0 0.164 0.151 0.188 0.000 0.000 0.000 3/14400 410.0 0.160 0.148 0.183 0.000 0.000 0.000 3/14400 420.0 0.156 0.144 0.179 0.000 0.000 0.000 3/14400 430.0 0.153 0.141 0.175 0.000 0.000 0.000 3/14400 440.0 0.149 0.138 0.171 0.000 0.000 0.000 3/14400 450.0 0.146 0.135 0.167 0.000 0.000 0.000 3/14400 460.0 0.143 0.132 0.163 0.000 0.000 0.000 3/14400 470.0 0.140 0.129 0.160 0.000 0.000 0.000 3/14400 480.0 0.137 0.127 0.156 0.000 0.000 0.000 3/14400 490.0 0.134 0.124 0.153 0.000 0.000 0.000 3/14400 500.0 0.131 0.122 0.150 0.000 0.000 0.000 3/14400 510.0 0.129 0.119 0.147 0.000 0.000 0.000 3/14400 520.0 0.126 0.117 0.144 0.000 0.000 0.000 3/14400 530.0 0.124 0.115 0.141 0.000 0.000 0.000 3/14400 540.0 0.122 0.113 0.139 0.000 0.000 0.000 3/14400 550.0 0.119 0.111 0.136 0.000 0.000 0.000 3/14400 560.0 0.117 0.109 0.134 0.000 0.000 0.000 3/14400 570.0 0.115 0.107 0.132 0.000 0.000 0.000 3/14400 580.0 0.113 0.105 0.129 0.000 0.000 0.000 3/14400 590.0 0.111 0.103 0.127 0.000 0.000 0.000 3/14400 600.0 0.109 0.101 0.125 0.000 0.000 0.000 3/14400 610.0 0.108 0.100 0.123 0.000 0.000 0.000 3/14400 620.0 0.106 0.098 0.121 0.000 0.000 0.000 3/14400 630.0 0.104 0.097 0.119 0.000 0.000 0.000 3/14400 640.0 0.103 0.095 0.117 0.000 0.000 0.000 3/14400 650.0 0.101 0.094 0.115 0.000 0.000 0.000 3/14400 660.0 0.099 0.092 0.114 0.000 0.000 0.000 3/14400 670.0 0.098 0.091 0.112 0.000 0.000 0.000 3/14400 680.0 0.097 0.090 0.110 0.000 0.000 0.000 3/14400 690.0 0.095 0.088 0.109 0.000 0.000 0.000 3/14400 700.0 0.094 0.087 0.107 0.000 0.000 0.000 3/14400 710.0 0.092 0.086 0.106 0.000 0.000 0.000 3/14400 720.0 0.091 0.085 0.104 0.000 0.000 0.000 3/14400 730.0 0.090 0.084 0.103 0.000 0.000 0.000 3/14400 740.0 0.089 0.082 0.101 0.000 0.000 0.000 3/14400 750.0 0.088 0.081 0.100 0.000 0.000 0.000 3/14400 760.0 0.086 0.080 0.099 0.000 0.000 0.000 3/14400 770.0 0.085 0.079 0.097 0.000 0.000 0.000 3/14400 780.0 0.084 0.078 0.096 0.000 0.000 0.000 3/14400 790.0 0.083 0.077 0.095 0.000 0.000 0.000 3/14400 800.0 0.082 0.076 0.094 0.000 0.000 0.000 3/14400 810.0 0.081 0.075 0.092 0.000 0.000 0.000 3/14400 820.0 0.080 0.074 0.091 0.000 0.000 0.000 3/14400 830.0 0.079 0.074 0.090 0.000 0.000 0.000 3/14400 840.0 0.078 0.073 0.089 0.000 0.000 0.000 3/14400 850.0 0.077 0.072 0.088 0.000 0.000 0.000 3/14400 860.0 0.076 0.071 0.087 0.000 0.000 0.000 3/14400 870.0 0.075 0.070 0.086 0.000 0.000 0.000 3/14400 880.0 0.075 0.069 0.085 0.000 0.000 0.000 3/14400 890.0 0.074 0.069 0.084 0.000 0.000 0.000 3/14400 900.0 0.073 0.068 0.083 0.000 0.000 0.000 3/14400 910.0 0.072 0.067 0.082 0.000 0.000 0.000 3/14400 920.0 0.071 0.066 0.081 0.000 0.000 0.000 3/14400 930.0 0.071 0.066 0.081 0.000 0.000 0.000 3/14400 940.0 0.070 0.065 0.080 0.000 0.000 0.000 3/14400 950.0 0.069 0.064 0.079 0.000 0.000 0.000 3/14400 960.0 0.068 0.064 0.078 0.000 0.000 0.000 3/14400 970.0 0.068 0.063 0.077 0.000 0.000 0.000 3/14400 980.0 0.067 0.062 0.076 0.000 0.000 0.000 3/14400 990.0 0.066 0.062 0.076 0.000 0.000 0.000 3/14400 1000.0 0.066 0.061 0.075 0.000 0.000 0.000 3/14400 Thermal conductivity related properties were written into "kappa-m358.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:07:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|