----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:25:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.325166570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): *1 Mg 0.23391944934203 0.95195045932998 0.75000000000000 24.305 2 Mg 0.76608055065797 0.45195045932998 0.75000000000000 24.305 3 Mg 0.23391944934203 0.54804954067002 0.25000000000000 24.305 4 Mg 0.76608055065797 0.04804954067002 0.25000000000000 24.305 *5 U 0.22357217882964 0.94832412695431 0.25000000000000 238.029 6 U 0.77642782117036 0.05167587304569 0.75000000000000 238.029 7 U 0.77642782117036 0.44832412695431 0.25000000000000 238.029 8 U 0.22357217882964 0.55167587304569 0.75000000000000 238.029 *9 B 0.87030234666873 0.74077480256418 0.25000000000000 10.811 10 B 0.12969765333127 0.25922519743582 0.75000000000000 10.811 *11 B 0.52938313771442 0.71156540996742 0.75000000000000 10.811 12 B 0.52938313771442 0.78843459003258 0.25000000000000 10.811 13 B 0.12969765333127 0.24077480256418 0.25000000000000 10.811 14 B 0.47061686228558 0.28843459003258 0.25000000000000 10.811 15 B 0.47061686228558 0.21156540996742 0.75000000000000 10.811 16 B 0.87030234666873 0.75922519743582 0.75000000000000 10.811 *17 O 0.54162656143781 0.57254845128897 0.75000000000000 15.999 *18 O 0.07229224305538 0.37134285673492 0.25000000000000 15.999 *19 O 0.35715100243209 0.73491547158653 0.25000000000000 15.999 *20 O 0.77256166178825 0.45120012221660 0.01839708129978 15.999 21 O 0.22743833821175 0.54879987778340 0.51839708129978 15.999 22 O 0.77256166178825 0.45120012221660 0.48160291870022 15.999 *23 O 0.68238828981115 0.79773883337323 0.75000000000000 15.999 24 O 0.22743833821175 0.95120012221660 0.01839708129978 15.999 25 O 0.92770775694462 0.62865714326508 0.75000000000000 15.999 26 O 0.45837343856219 0.07254845128897 0.75000000000000 15.999 *27 O 0.02133764816736 0.37113232164811 0.75000000000000 15.999 28 O 0.97866235183264 0.62886767835189 0.25000000000000 15.999 29 O 0.64284899756791 0.26508452841347 0.75000000000000 15.999 30 O 0.97866235183264 0.87113232164811 0.75000000000000 15.999 31 O 0.31761171018884 0.20226116662678 0.25000000000000 15.999 32 O 0.77256166178825 0.04879987778340 0.98160291870022 15.999 33 O 0.92770775694462 0.87134285673492 0.25000000000000 15.999 34 O 0.22743833821175 0.54879987778340 0.98160291870022 15.999 35 O 0.45837343856219 0.42745154871103 0.25000000000000 15.999 36 O 0.22743833821175 0.95120012221660 0.48160291870022 15.999 37 O 0.68238828981115 0.70226116662677 0.25000000000000 15.999 38 O 0.64284899756791 0.23491547158653 0.25000000000000 15.999 39 O 0.02133764816736 0.12886767835189 0.25000000000000 15.999 40 O 0.77256166178825 0.04879987778340 0.51839708129978 15.999 41 O 0.07229224305538 0.12865714326508 0.75000000000000 15.999 42 O 0.31761171018884 0.29773883337322 0.75000000000000 15.999 43 O 0.54162656143781 0.92745154871103 0.25000000000000 15.999 44 O 0.35715100243209 0.76508452841347 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.325166570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): *1 Mg 0.23391944934203 0.95195045932998 0.75000000000000 24.305 > 1 2 Mg 0.76608055065797 0.45195045932998 0.75000000000000 24.305 > 2 3 Mg 0.23391944934203 0.54804954067002 0.25000000000000 24.305 > 3 4 Mg 0.76608055065797 0.04804954067002 0.25000000000000 24.305 > 4 *5 U 0.22357217882964 0.94832412695431 0.25000000000000 238.029 > 5 6 U 0.77642782117036 0.05167587304569 0.75000000000000 238.029 > 6 7 U 0.77642782117036 0.44832412695431 0.25000000000000 238.029 > 7 8 U 0.22357217882964 0.55167587304569 0.75000000000000 238.029 > 8 *9 B 0.87030234666873 0.74077480256418 0.25000000000000 10.811 > 9 10 B 0.12969765333127 0.25922519743582 0.75000000000000 10.811 > 10 *11 B 0.52938313771442 0.71156540996742 0.75000000000000 10.811 > 11 12 B 0.52938313771442 0.78843459003258 0.25000000000000 10.811 > 12 13 B 0.12969765333127 0.24077480256418 0.25000000000000 10.811 > 13 14 B 0.47061686228558 0.28843459003258 0.25000000000000 10.811 > 14 15 B 0.47061686228558 0.21156540996742 0.75000000000000 10.811 > 15 16 B 0.87030234666873 0.75922519743582 0.75000000000000 10.811 > 16 *17 O 0.54162656143781 0.57254845128897 0.75000000000000 15.999 > 17 *18 O 0.07229224305538 0.37134285673492 0.25000000000000 15.999 > 18 *19 O 0.35715100243209 0.73491547158653 0.25000000000000 15.999 > 19 *20 O 0.77256166178825 0.45120012221660 0.01839708129978 15.999 > 20 21 O 0.22743833821175 0.54879987778340 0.51839708129978 15.999 > 21 22 O 0.77256166178825 0.45120012221660 0.48160291870022 15.999 > 22 *23 O 0.68238828981115 0.79773883337323 0.75000000000000 15.999 > 23 24 O 0.22743833821175 0.95120012221660 0.01839708129978 15.999 > 24 25 O 0.92770775694462 0.62865714326508 0.75000000000000 15.999 > 25 26 O 0.45837343856219 0.07254845128897 0.75000000000000 15.999 > 26 *27 O 0.02133764816736 0.37113232164811 0.75000000000000 15.999 > 27 28 O 0.97866235183264 0.62886767835189 0.25000000000000 15.999 > 28 29 O 0.64284899756791 0.26508452841347 0.75000000000000 15.999 > 29 30 O 0.97866235183264 0.87113232164811 0.75000000000000 15.999 > 30 31 O 0.31761171018884 0.20226116662678 0.25000000000000 15.999 > 31 32 O 0.77256166178825 0.04879987778340 0.98160291870022 15.999 > 32 33 O 0.92770775694462 0.87134285673492 0.25000000000000 15.999 > 33 34 O 0.22743833821175 0.54879987778340 0.98160291870022 15.999 > 34 35 O 0.45837343856219 0.42745154871103 0.25000000000000 15.999 > 35 36 O 0.22743833821175 0.95120012221660 0.48160291870022 15.999 > 36 37 O 0.68238828981115 0.70226116662677 0.25000000000000 15.999 > 37 38 O 0.64284899756791 0.23491547158653 0.25000000000000 15.999 > 38 39 O 0.02133764816736 0.12886767835189 0.25000000000000 15.999 > 39 40 O 0.77256166178825 0.04879987778340 0.51839708129978 15.999 > 40 41 O 0.07229224305538 0.12865714326508 0.75000000000000 15.999 > 41 42 O 0.31761171018884 0.29773883337322 0.75000000000000 15.999 > 42 43 O 0.54162656143781 0.92745154871103 0.25000000000000 15.999 > 43 44 O 0.35715100243209 0.76508452841347 0.75000000000000 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.650333140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): *1 Mg 0.11695972467101 0.95195045932998 0.75000000000000 24.305 > 1 2 Mg 0.61695972467101 0.95195045932998 0.75000000000000 24.305 > 1 3 Mg 0.38304027532899 0.45195045932998 0.75000000000000 24.305 > 2 4 Mg 0.88304027532899 0.45195045932998 0.75000000000000 24.305 > 2 5 Mg 0.11695972467101 0.54804954067002 0.25000000000000 24.305 > 3 6 Mg 0.61695972467101 0.54804954067002 0.25000000000000 24.305 > 3 7 Mg 0.38304027532899 0.04804954067002 0.25000000000000 24.305 > 4 8 Mg 0.88304027532899 0.04804954067002 0.25000000000000 24.305 > 4 *9 U 0.11178608941482 0.94832412695431 0.25000000000000 238.029 > 5 10 U 0.61178608941482 0.94832412695431 0.25000000000000 238.029 > 5 11 U 0.38821391058518 0.05167587304569 0.75000000000000 238.029 > 6 12 U 0.88821391058518 0.05167587304569 0.75000000000000 238.029 > 6 13 U 0.38821391058518 0.44832412695431 0.25000000000000 238.029 > 7 14 U 0.88821391058518 0.44832412695431 0.25000000000000 238.029 > 7 15 U 0.11178608941482 0.55167587304569 0.75000000000000 238.029 > 8 16 U 0.61178608941482 0.55167587304569 0.75000000000000 238.029 > 8 *17 B 0.43515117333437 0.74077480256418 0.25000000000000 10.811 > 9 18 B 0.93515117333437 0.74077480256418 0.25000000000000 10.811 > 9 19 B 0.06484882666563 0.25922519743582 0.75000000000000 10.811 > 10 20 B 0.56484882666563 0.25922519743582 0.75000000000000 10.811 > 10 *21 B 0.26469156885721 0.71156540996742 0.75000000000000 10.811 > 11 22 B 0.76469156885721 0.71156540996742 0.75000000000000 10.811 > 11 23 B 0.26469156885721 0.78843459003258 0.25000000000000 10.811 > 12 24 B 0.76469156885721 0.78843459003258 0.25000000000000 10.811 > 12 25 B 0.06484882666563 0.24077480256418 0.25000000000000 10.811 > 13 26 B 0.56484882666563 0.24077480256418 0.25000000000000 10.811 > 13 27 B 0.23530843114279 0.28843459003258 0.25000000000000 10.811 > 14 28 B 0.73530843114279 0.28843459003258 0.25000000000000 10.811 > 14 29 B 0.23530843114279 0.21156540996742 0.75000000000000 10.811 > 15 30 B 0.73530843114279 0.21156540996742 0.75000000000000 10.811 > 15 31 B 0.43515117333437 0.75922519743582 0.75000000000000 10.811 > 16 32 B 0.93515117333437 0.75922519743582 0.75000000000000 10.811 > 16 *33 O 0.27081328071890 0.57254845128897 0.75000000000000 15.999 > 17 34 O 0.77081328071890 0.57254845128897 0.75000000000000 15.999 > 17 *35 O 0.03614612152769 0.37134285673492 0.25000000000000 15.999 > 18 36 O 0.53614612152769 0.37134285673492 0.25000000000000 15.999 > 18 *37 O 0.17857550121605 0.73491547158653 0.25000000000000 15.999 > 19 38 O 0.67857550121605 0.73491547158653 0.25000000000000 15.999 > 19 *39 O 0.38628083089412 0.45120012221660 0.01839708129978 15.999 > 20 40 O 0.88628083089412 0.45120012221660 0.01839708129978 15.999 > 20 41 O 0.11371916910588 0.54879987778340 0.51839708129978 15.999 > 21 42 O 0.61371916910588 0.54879987778340 0.51839708129978 15.999 > 21 43 O 0.38628083089412 0.45120012221660 0.48160291870022 15.999 > 22 44 O 0.88628083089412 0.45120012221660 0.48160291870022 15.999 > 22 *45 O 0.34119414490558 0.79773883337323 0.75000000000000 15.999 > 23 46 O 0.84119414490558 0.79773883337323 0.75000000000000 15.999 > 23 47 O 0.11371916910588 0.95120012221660 0.01839708129978 15.999 > 24 48 O 0.61371916910588 0.95120012221660 0.01839708129978 15.999 > 24 49 O 0.46385387847231 0.62865714326508 0.75000000000000 15.999 > 25 50 O 0.96385387847231 0.62865714326508 0.75000000000000 15.999 > 25 51 O 0.22918671928110 0.07254845128897 0.75000000000000 15.999 > 26 52 O 0.72918671928110 0.07254845128897 0.75000000000000 15.999 > 26 *53 O 0.01066882408368 0.37113232164811 0.75000000000000 15.999 > 27 54 O 0.51066882408368 0.37113232164811 0.75000000000000 15.999 > 27 55 O 0.48933117591632 0.62886767835189 0.25000000000000 15.999 > 28 56 O 0.98933117591632 0.62886767835189 0.25000000000000 15.999 > 28 57 O 0.32142449878395 0.26508452841347 0.75000000000000 15.999 > 29 58 O 0.82142449878395 0.26508452841347 0.75000000000000 15.999 > 29 59 O 0.48933117591632 0.87113232164811 0.75000000000000 15.999 > 30 60 O 0.98933117591632 0.87113232164811 0.75000000000000 15.999 > 30 61 O 0.15880585509442 0.20226116662678 0.25000000000000 15.999 > 31 62 O 0.65880585509442 0.20226116662678 0.25000000000000 15.999 > 31 63 O 0.38628083089412 0.04879987778340 0.98160291870022 15.999 > 32 64 O 0.88628083089412 0.04879987778340 0.98160291870022 15.999 > 32 65 O 0.46385387847231 0.87134285673492 0.25000000000000 15.999 > 33 66 O 0.96385387847231 0.87134285673492 0.25000000000000 15.999 > 33 67 O 0.11371916910588 0.54879987778340 0.98160291870022 15.999 > 34 68 O 0.61371916910588 0.54879987778340 0.98160291870022 15.999 > 34 69 O 0.22918671928110 0.42745154871103 0.25000000000000 15.999 > 35 70 O 0.72918671928110 0.42745154871103 0.25000000000000 15.999 > 35 71 O 0.11371916910588 0.95120012221660 0.48160291870022 15.999 > 36 72 O 0.61371916910588 0.95120012221660 0.48160291870022 15.999 > 36 73 O 0.34119414490558 0.70226116662677 0.25000000000000 15.999 > 37 74 O 0.84119414490558 0.70226116662677 0.25000000000000 15.999 > 37 75 O 0.32142449878395 0.23491547158653 0.25000000000000 15.999 > 38 76 O 0.82142449878395 0.23491547158653 0.25000000000000 15.999 > 38 77 O 0.01066882408368 0.12886767835189 0.25000000000000 15.999 > 39 78 O 0.51066882408368 0.12886767835189 0.25000000000000 15.999 > 39 79 O 0.38628083089412 0.04879987778340 0.51839708129978 15.999 > 40 80 O 0.88628083089412 0.04879987778340 0.51839708129978 15.999 > 40 81 O 0.03614612152769 0.12865714326508 0.75000000000000 15.999 > 41 82 O 0.53614612152769 0.12865714326508 0.75000000000000 15.999 > 41 83 O 0.15880585509442 0.29773883337322 0.75000000000000 15.999 > 42 84 O 0.65880585509442 0.29773883337322 0.75000000000000 15.999 > 42 85 O 0.27081328071890 0.92745154871103 0.25000000000000 15.999 > 43 86 O 0.77081328071890 0.92745154871103 0.25000000000000 15.999 > 43 87 O 0.17857550121605 0.76508452841347 0.75000000000000 15.999 > 44 88 O 0.67857550121605 0.76508452841347 0.75000000000000 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4383282 0.0000000 0.0000000 0.0000000 3.3616218 0.0000000 0.0000000 0.0000000 2.8654773 -------------------------- Born effective charges -------------------------- 1 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 2 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 3 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 4 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 5 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 6 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 7 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 8 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 9 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 10 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 11 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 12 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 13 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 14 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 15 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 16 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 17 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 18 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 19 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 20 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 21 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 22 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 23 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 24 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 25 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 26 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 27 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 28 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 29 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 30 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 31 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 32 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 33 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 34 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 35 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 36 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 37 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 38 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 39 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 40 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 41 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 42 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 43 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 44 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 808 / 808 (1) 288 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2418), data: False |-- (160, 158), data: True |-- (160, 158), data: True |-- (448, 438), data: True |-- (448, 438), data: True |-- (448, 438), data: True |-- (808, 788), data: False |-- (808, 20), data: (808, 40) @ (40, 20) |-- (308, 288), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.644 Solver_block: 200 / 720 - Time: 0.557 Solver_block: 300 / 720 - Time: 0.534 Solver_block: 400 / 720 - Time: 0.577 Solver_block: 500 / 720 - Time: 0.625 Solver_block: 600 / 720 - Time: 0.601 Solver_block: 700 / 720 - Time: 0.585 Solver_block: 720 / 720 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 808 / 808 (1) 288 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2418), data: False |-- (160, 158), data: True |-- (160, 158), data: True |-- (448, 438), data: True |-- (448, 438), data: True |-- (448, 438), data: True |-- (808, 788), data: False |-- (808, 20), data: (808, 40) @ (40, 20) |-- (308, 288), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:26:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:26:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.325166570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): 1 Mg 0.23391944934203 0.95195045932998 0.75000000000000 24.305 2 Mg 0.76608055065797 0.45195045932998 0.75000000000000 24.305 3 Mg 0.23391944934203 0.54804954067002 0.25000000000000 24.305 4 Mg 0.76608055065797 0.04804954067002 0.25000000000000 24.305 5 U 0.22357217882964 0.94832412695431 0.25000000000000 238.029 6 U 0.77642782117036 0.05167587304569 0.75000000000000 238.029 7 U 0.77642782117036 0.44832412695431 0.25000000000000 238.029 8 U 0.22357217882964 0.55167587304569 0.75000000000000 238.029 9 B 0.87030234666873 0.74077480256418 0.25000000000000 10.811 10 B 0.12969765333127 0.25922519743582 0.75000000000000 10.811 11 B 0.52938313771442 0.71156540996742 0.75000000000000 10.811 12 B 0.52938313771442 0.78843459003258 0.25000000000000 10.811 13 B 0.12969765333127 0.24077480256418 0.25000000000000 10.811 14 B 0.47061686228558 0.28843459003258 0.25000000000000 10.811 15 B 0.47061686228558 0.21156540996742 0.75000000000000 10.811 16 B 0.87030234666873 0.75922519743582 0.75000000000000 10.811 17 O 0.54162656143781 0.57254845128897 0.75000000000000 15.999 18 O 0.07229224305538 0.37134285673492 0.25000000000000 15.999 19 O 0.35715100243209 0.73491547158653 0.25000000000000 15.999 20 O 0.77256166178825 0.45120012221660 0.01839708129978 15.999 21 O 0.22743833821175 0.54879987778340 0.51839708129978 15.999 22 O 0.77256166178825 0.45120012221660 0.48160291870022 15.999 23 O 0.68238828981115 0.79773883337323 0.75000000000000 15.999 24 O 0.22743833821175 0.95120012221660 0.01839708129978 15.999 25 O 0.92770775694462 0.62865714326508 0.75000000000000 15.999 26 O 0.45837343856219 0.07254845128897 0.75000000000000 15.999 27 O 0.02133764816736 0.37113232164811 0.75000000000000 15.999 28 O 0.97866235183264 0.62886767835189 0.25000000000000 15.999 29 O 0.64284899756791 0.26508452841347 0.75000000000000 15.999 30 O 0.97866235183264 0.87113232164811 0.75000000000000 15.999 31 O 0.31761171018884 0.20226116662678 0.25000000000000 15.999 32 O 0.77256166178825 0.04879987778340 0.98160291870022 15.999 33 O 0.92770775694462 0.87134285673492 0.25000000000000 15.999 34 O 0.22743833821175 0.54879987778340 0.98160291870022 15.999 35 O 0.45837343856219 0.42745154871103 0.25000000000000 15.999 36 O 0.22743833821175 0.95120012221660 0.48160291870022 15.999 37 O 0.68238828981115 0.70226116662677 0.25000000000000 15.999 38 O 0.64284899756791 0.23491547158653 0.25000000000000 15.999 39 O 0.02133764816736 0.12886767835189 0.25000000000000 15.999 40 O 0.77256166178825 0.04879987778340 0.51839708129978 15.999 41 O 0.07229224305538 0.12865714326508 0.75000000000000 15.999 42 O 0.31761171018884 0.29773883337322 0.75000000000000 15.999 43 O 0.54162656143781 0.92745154871103 0.25000000000000 15.999 44 O 0.35715100243209 0.76508452841347 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.650333140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): 1 Mg 0.11695972467101 0.95195045932998 0.75000000000000 24.305 > 1 2 Mg 0.61695972467101 0.95195045932998 0.75000000000000 24.305 > 1 3 Mg 0.38304027532899 0.45195045932998 0.75000000000000 24.305 > 3 4 Mg 0.88304027532899 0.45195045932998 0.75000000000000 24.305 > 3 5 Mg 0.11695972467101 0.54804954067002 0.25000000000000 24.305 > 5 6 Mg 0.61695972467101 0.54804954067002 0.25000000000000 24.305 > 5 7 Mg 0.38304027532899 0.04804954067002 0.25000000000000 24.305 > 7 8 Mg 0.88304027532899 0.04804954067002 0.25000000000000 24.305 > 7 9 U 0.11178608941482 0.94832412695431 0.25000000000000 238.029 > 9 10 U 0.61178608941482 0.94832412695431 0.25000000000000 238.029 > 9 11 U 0.38821391058518 0.05167587304569 0.75000000000000 238.029 > 11 12 U 0.88821391058518 0.05167587304569 0.75000000000000 238.029 > 11 13 U 0.38821391058518 0.44832412695431 0.25000000000000 238.029 > 13 14 U 0.88821391058518 0.44832412695431 0.25000000000000 238.029 > 13 15 U 0.11178608941482 0.55167587304569 0.75000000000000 238.029 > 15 16 U 0.61178608941482 0.55167587304569 0.75000000000000 238.029 > 15 17 B 0.43515117333437 0.74077480256418 0.25000000000000 10.811 > 17 18 B 0.93515117333437 0.74077480256418 0.25000000000000 10.811 > 17 19 B 0.06484882666563 0.25922519743582 0.75000000000000 10.811 > 19 20 B 0.56484882666563 0.25922519743582 0.75000000000000 10.811 > 19 21 B 0.26469156885721 0.71156540996742 0.75000000000000 10.811 > 21 22 B 0.76469156885721 0.71156540996742 0.75000000000000 10.811 > 21 23 B 0.26469156885721 0.78843459003258 0.25000000000000 10.811 > 23 24 B 0.76469156885721 0.78843459003258 0.25000000000000 10.811 > 23 25 B 0.06484882666563 0.24077480256418 0.25000000000000 10.811 > 25 26 B 0.56484882666563 0.24077480256418 0.25000000000000 10.811 > 25 27 B 0.23530843114279 0.28843459003258 0.25000000000000 10.811 > 27 28 B 0.73530843114279 0.28843459003258 0.25000000000000 10.811 > 27 29 B 0.23530843114279 0.21156540996742 0.75000000000000 10.811 > 29 30 B 0.73530843114279 0.21156540996742 0.75000000000000 10.811 > 29 31 B 0.43515117333437 0.75922519743582 0.75000000000000 10.811 > 31 32 B 0.93515117333437 0.75922519743582 0.75000000000000 10.811 > 31 33 O 0.27081328071890 0.57254845128897 0.75000000000000 15.999 > 33 34 O 0.77081328071890 0.57254845128897 0.75000000000000 15.999 > 33 35 O 0.03614612152769 0.37134285673492 0.25000000000000 15.999 > 35 36 O 0.53614612152769 0.37134285673492 0.25000000000000 15.999 > 35 37 O 0.17857550121605 0.73491547158653 0.25000000000000 15.999 > 37 38 O 0.67857550121605 0.73491547158653 0.25000000000000 15.999 > 37 39 O 0.38628083089412 0.45120012221660 0.01839708129978 15.999 > 39 40 O 0.88628083089412 0.45120012221660 0.01839708129978 15.999 > 39 41 O 0.11371916910588 0.54879987778340 0.51839708129978 15.999 > 41 42 O 0.61371916910588 0.54879987778340 0.51839708129978 15.999 > 41 43 O 0.38628083089412 0.45120012221660 0.48160291870022 15.999 > 43 44 O 0.88628083089412 0.45120012221660 0.48160291870022 15.999 > 43 45 O 0.34119414490558 0.79773883337323 0.75000000000000 15.999 > 45 46 O 0.84119414490558 0.79773883337323 0.75000000000000 15.999 > 45 47 O 0.11371916910588 0.95120012221660 0.01839708129978 15.999 > 47 48 O 0.61371916910588 0.95120012221660 0.01839708129978 15.999 > 47 49 O 0.46385387847231 0.62865714326508 0.75000000000000 15.999 > 49 50 O 0.96385387847231 0.62865714326508 0.75000000000000 15.999 > 49 51 O 0.22918671928110 0.07254845128897 0.75000000000000 15.999 > 51 52 O 0.72918671928110 0.07254845128897 0.75000000000000 15.999 > 51 53 O 0.01066882408368 0.37113232164811 0.75000000000000 15.999 > 53 54 O 0.51066882408368 0.37113232164811 0.75000000000000 15.999 > 53 55 O 0.48933117591632 0.62886767835189 0.25000000000000 15.999 > 55 56 O 0.98933117591632 0.62886767835189 0.25000000000000 15.999 > 55 57 O 0.32142449878395 0.26508452841347 0.75000000000000 15.999 > 57 58 O 0.82142449878395 0.26508452841347 0.75000000000000 15.999 > 57 59 O 0.48933117591632 0.87113232164811 0.75000000000000 15.999 > 59 60 O 0.98933117591632 0.87113232164811 0.75000000000000 15.999 > 59 61 O 0.15880585509442 0.20226116662678 0.25000000000000 15.999 > 61 62 O 0.65880585509442 0.20226116662678 0.25000000000000 15.999 > 61 63 O 0.38628083089412 0.04879987778340 0.98160291870022 15.999 > 63 64 O 0.88628083089412 0.04879987778340 0.98160291870022 15.999 > 63 65 O 0.46385387847231 0.87134285673492 0.25000000000000 15.999 > 65 66 O 0.96385387847231 0.87134285673492 0.25000000000000 15.999 > 65 67 O 0.11371916910588 0.54879987778340 0.98160291870022 15.999 > 67 68 O 0.61371916910588 0.54879987778340 0.98160291870022 15.999 > 67 69 O 0.22918671928110 0.42745154871103 0.25000000000000 15.999 > 69 70 O 0.72918671928110 0.42745154871103 0.25000000000000 15.999 > 69 71 O 0.11371916910588 0.95120012221660 0.48160291870022 15.999 > 71 72 O 0.61371916910588 0.95120012221660 0.48160291870022 15.999 > 71 73 O 0.34119414490558 0.70226116662677 0.25000000000000 15.999 > 73 74 O 0.84119414490558 0.70226116662677 0.25000000000000 15.999 > 73 75 O 0.32142449878395 0.23491547158653 0.25000000000000 15.999 > 75 76 O 0.82142449878395 0.23491547158653 0.25000000000000 15.999 > 75 77 O 0.01066882408368 0.12886767835189 0.25000000000000 15.999 > 77 78 O 0.51066882408368 0.12886767835189 0.25000000000000 15.999 > 77 79 O 0.38628083089412 0.04879987778340 0.51839708129978 15.999 > 79 80 O 0.88628083089412 0.04879987778340 0.51839708129978 15.999 > 79 81 O 0.03614612152769 0.12865714326508 0.75000000000000 15.999 > 81 82 O 0.53614612152769 0.12865714326508 0.75000000000000 15.999 > 81 83 O 0.15880585509442 0.29773883337322 0.75000000000000 15.999 > 83 84 O 0.65880585509442 0.29773883337322 0.75000000000000 15.999 > 83 85 O 0.27081328071890 0.92745154871103 0.25000000000000 15.999 > 85 86 O 0.77081328071890 0.92745154871103 0.25000000000000 15.999 > 85 87 O 0.17857550121605 0.76508452841347 0.75000000000000 15.999 > 87 88 O 0.67857550121605 0.76508452841347 0.75000000000000 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4383282 0.0000000 0.0000000 0.0000000 3.3616218 0.0000000 0.0000000 0.0000000 2.8654773 -------------------------- Born effective charges -------------------------- 1 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 2 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 3 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 4 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 5 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 6 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 7 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 8 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 9 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 10 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 11 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 12 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 13 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 14 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 15 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 16 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 17 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 18 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 19 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 20 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 21 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 22 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 23 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 24 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 25 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 26 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 27 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 28 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 29 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 30 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 31 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 32 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 33 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 34 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 35 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 36 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 37 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 38 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 39 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 40 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 41 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 42 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 43 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 44 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:26:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:26:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.325166570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): 1 Mg 0.23391944934203 0.95195045932998 0.75000000000000 24.305 2 Mg 0.76608055065797 0.45195045932998 0.75000000000000 24.305 3 Mg 0.23391944934203 0.54804954067002 0.25000000000000 24.305 4 Mg 0.76608055065797 0.04804954067002 0.25000000000000 24.305 5 U 0.22357217882964 0.94832412695431 0.25000000000000 238.029 6 U 0.77642782117036 0.05167587304569 0.75000000000000 238.029 7 U 0.77642782117036 0.44832412695431 0.25000000000000 238.029 8 U 0.22357217882964 0.55167587304569 0.75000000000000 238.029 9 B 0.87030234666873 0.74077480256418 0.25000000000000 10.811 10 B 0.12969765333127 0.25922519743582 0.75000000000000 10.811 11 B 0.52938313771442 0.71156540996742 0.75000000000000 10.811 12 B 0.52938313771442 0.78843459003258 0.25000000000000 10.811 13 B 0.12969765333127 0.24077480256418 0.25000000000000 10.811 14 B 0.47061686228558 0.28843459003258 0.25000000000000 10.811 15 B 0.47061686228558 0.21156540996742 0.75000000000000 10.811 16 B 0.87030234666873 0.75922519743582 0.75000000000000 10.811 17 O 0.54162656143781 0.57254845128897 0.75000000000000 15.999 18 O 0.07229224305538 0.37134285673492 0.25000000000000 15.999 19 O 0.35715100243209 0.73491547158653 0.25000000000000 15.999 20 O 0.77256166178825 0.45120012221660 0.01839708129978 15.999 21 O 0.22743833821175 0.54879987778340 0.51839708129978 15.999 22 O 0.77256166178825 0.45120012221660 0.48160291870022 15.999 23 O 0.68238828981115 0.79773883337323 0.75000000000000 15.999 24 O 0.22743833821175 0.95120012221660 0.01839708129978 15.999 25 O 0.92770775694462 0.62865714326508 0.75000000000000 15.999 26 O 0.45837343856219 0.07254845128897 0.75000000000000 15.999 27 O 0.02133764816736 0.37113232164811 0.75000000000000 15.999 28 O 0.97866235183264 0.62886767835189 0.25000000000000 15.999 29 O 0.64284899756791 0.26508452841347 0.75000000000000 15.999 30 O 0.97866235183264 0.87113232164811 0.75000000000000 15.999 31 O 0.31761171018884 0.20226116662678 0.25000000000000 15.999 32 O 0.77256166178825 0.04879987778340 0.98160291870022 15.999 33 O 0.92770775694462 0.87134285673492 0.25000000000000 15.999 34 O 0.22743833821175 0.54879987778340 0.98160291870022 15.999 35 O 0.45837343856219 0.42745154871103 0.25000000000000 15.999 36 O 0.22743833821175 0.95120012221660 0.48160291870022 15.999 37 O 0.68238828981115 0.70226116662677 0.25000000000000 15.999 38 O 0.64284899756791 0.23491547158653 0.25000000000000 15.999 39 O 0.02133764816736 0.12886767835189 0.25000000000000 15.999 40 O 0.77256166178825 0.04879987778340 0.51839708129978 15.999 41 O 0.07229224305538 0.12865714326508 0.75000000000000 15.999 42 O 0.31761171018884 0.29773883337322 0.75000000000000 15.999 43 O 0.54162656143781 0.92745154871103 0.25000000000000 15.999 44 O 0.35715100243209 0.76508452841347 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.650333140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.796035910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.909303220000000 Atomic positions (fractional): 1 Mg 0.11695972467101 0.95195045932998 0.75000000000000 24.305 > 1 2 Mg 0.61695972467101 0.95195045932998 0.75000000000000 24.305 > 1 3 Mg 0.38304027532899 0.45195045932998 0.75000000000000 24.305 > 3 4 Mg 0.88304027532899 0.45195045932998 0.75000000000000 24.305 > 3 5 Mg 0.11695972467101 0.54804954067002 0.25000000000000 24.305 > 5 6 Mg 0.61695972467101 0.54804954067002 0.25000000000000 24.305 > 5 7 Mg 0.38304027532899 0.04804954067002 0.25000000000000 24.305 > 7 8 Mg 0.88304027532899 0.04804954067002 0.25000000000000 24.305 > 7 9 U 0.11178608941482 0.94832412695431 0.25000000000000 238.029 > 9 10 U 0.61178608941482 0.94832412695431 0.25000000000000 238.029 > 9 11 U 0.38821391058518 0.05167587304569 0.75000000000000 238.029 > 11 12 U 0.88821391058518 0.05167587304569 0.75000000000000 238.029 > 11 13 U 0.38821391058518 0.44832412695431 0.25000000000000 238.029 > 13 14 U 0.88821391058518 0.44832412695431 0.25000000000000 238.029 > 13 15 U 0.11178608941482 0.55167587304569 0.75000000000000 238.029 > 15 16 U 0.61178608941482 0.55167587304569 0.75000000000000 238.029 > 15 17 B 0.43515117333437 0.74077480256418 0.25000000000000 10.811 > 17 18 B 0.93515117333437 0.74077480256418 0.25000000000000 10.811 > 17 19 B 0.06484882666563 0.25922519743582 0.75000000000000 10.811 > 19 20 B 0.56484882666563 0.25922519743582 0.75000000000000 10.811 > 19 21 B 0.26469156885721 0.71156540996742 0.75000000000000 10.811 > 21 22 B 0.76469156885721 0.71156540996742 0.75000000000000 10.811 > 21 23 B 0.26469156885721 0.78843459003258 0.25000000000000 10.811 > 23 24 B 0.76469156885721 0.78843459003258 0.25000000000000 10.811 > 23 25 B 0.06484882666563 0.24077480256418 0.25000000000000 10.811 > 25 26 B 0.56484882666563 0.24077480256418 0.25000000000000 10.811 > 25 27 B 0.23530843114279 0.28843459003258 0.25000000000000 10.811 > 27 28 B 0.73530843114279 0.28843459003258 0.25000000000000 10.811 > 27 29 B 0.23530843114279 0.21156540996742 0.75000000000000 10.811 > 29 30 B 0.73530843114279 0.21156540996742 0.75000000000000 10.811 > 29 31 B 0.43515117333437 0.75922519743582 0.75000000000000 10.811 > 31 32 B 0.93515117333437 0.75922519743582 0.75000000000000 10.811 > 31 33 O 0.27081328071890 0.57254845128897 0.75000000000000 15.999 > 33 34 O 0.77081328071890 0.57254845128897 0.75000000000000 15.999 > 33 35 O 0.03614612152769 0.37134285673492 0.25000000000000 15.999 > 35 36 O 0.53614612152769 0.37134285673492 0.25000000000000 15.999 > 35 37 O 0.17857550121605 0.73491547158653 0.25000000000000 15.999 > 37 38 O 0.67857550121605 0.73491547158653 0.25000000000000 15.999 > 37 39 O 0.38628083089412 0.45120012221660 0.01839708129978 15.999 > 39 40 O 0.88628083089412 0.45120012221660 0.01839708129978 15.999 > 39 41 O 0.11371916910588 0.54879987778340 0.51839708129978 15.999 > 41 42 O 0.61371916910588 0.54879987778340 0.51839708129978 15.999 > 41 43 O 0.38628083089412 0.45120012221660 0.48160291870022 15.999 > 43 44 O 0.88628083089412 0.45120012221660 0.48160291870022 15.999 > 43 45 O 0.34119414490558 0.79773883337323 0.75000000000000 15.999 > 45 46 O 0.84119414490558 0.79773883337323 0.75000000000000 15.999 > 45 47 O 0.11371916910588 0.95120012221660 0.01839708129978 15.999 > 47 48 O 0.61371916910588 0.95120012221660 0.01839708129978 15.999 > 47 49 O 0.46385387847231 0.62865714326508 0.75000000000000 15.999 > 49 50 O 0.96385387847231 0.62865714326508 0.75000000000000 15.999 > 49 51 O 0.22918671928110 0.07254845128897 0.75000000000000 15.999 > 51 52 O 0.72918671928110 0.07254845128897 0.75000000000000 15.999 > 51 53 O 0.01066882408368 0.37113232164811 0.75000000000000 15.999 > 53 54 O 0.51066882408368 0.37113232164811 0.75000000000000 15.999 > 53 55 O 0.48933117591632 0.62886767835189 0.25000000000000 15.999 > 55 56 O 0.98933117591632 0.62886767835189 0.25000000000000 15.999 > 55 57 O 0.32142449878395 0.26508452841347 0.75000000000000 15.999 > 57 58 O 0.82142449878395 0.26508452841347 0.75000000000000 15.999 > 57 59 O 0.48933117591632 0.87113232164811 0.75000000000000 15.999 > 59 60 O 0.98933117591632 0.87113232164811 0.75000000000000 15.999 > 59 61 O 0.15880585509442 0.20226116662678 0.25000000000000 15.999 > 61 62 O 0.65880585509442 0.20226116662678 0.25000000000000 15.999 > 61 63 O 0.38628083089412 0.04879987778340 0.98160291870022 15.999 > 63 64 O 0.88628083089412 0.04879987778340 0.98160291870022 15.999 > 63 65 O 0.46385387847231 0.87134285673492 0.25000000000000 15.999 > 65 66 O 0.96385387847231 0.87134285673492 0.25000000000000 15.999 > 65 67 O 0.11371916910588 0.54879987778340 0.98160291870022 15.999 > 67 68 O 0.61371916910588 0.54879987778340 0.98160291870022 15.999 > 67 69 O 0.22918671928110 0.42745154871103 0.25000000000000 15.999 > 69 70 O 0.72918671928110 0.42745154871103 0.25000000000000 15.999 > 69 71 O 0.11371916910588 0.95120012221660 0.48160291870022 15.999 > 71 72 O 0.61371916910588 0.95120012221660 0.48160291870022 15.999 > 71 73 O 0.34119414490558 0.70226116662677 0.25000000000000 15.999 > 73 74 O 0.84119414490558 0.70226116662677 0.25000000000000 15.999 > 73 75 O 0.32142449878395 0.23491547158653 0.25000000000000 15.999 > 75 76 O 0.82142449878395 0.23491547158653 0.25000000000000 15.999 > 75 77 O 0.01066882408368 0.12886767835189 0.25000000000000 15.999 > 77 78 O 0.51066882408368 0.12886767835189 0.25000000000000 15.999 > 77 79 O 0.38628083089412 0.04879987778340 0.51839708129978 15.999 > 79 80 O 0.88628083089412 0.04879987778340 0.51839708129978 15.999 > 79 81 O 0.03614612152769 0.12865714326508 0.75000000000000 15.999 > 81 82 O 0.53614612152769 0.12865714326508 0.75000000000000 15.999 > 81 83 O 0.15880585509442 0.29773883337322 0.75000000000000 15.999 > 83 84 O 0.65880585509442 0.29773883337322 0.75000000000000 15.999 > 83 85 O 0.27081328071890 0.92745154871103 0.25000000000000 15.999 > 85 86 O 0.77081328071890 0.92745154871103 0.25000000000000 15.999 > 85 87 O 0.17857550121605 0.76508452841347 0.75000000000000 15.999 > 87 88 O 0.67857550121605 0.76508452841347 0.75000000000000 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4383282 0.0000000 0.0000000 0.0000000 3.3616218 0.0000000 0.0000000 0.0000000 2.8654773 -------------------------- Born effective charges -------------------------- 1 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 2 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 3 Mg 2.4406345 -0.2260187 -0.0000000 0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 4 Mg 2.4406345 0.2260187 -0.0000000 -0.2543905 2.2674087 0.0000000 -0.0000000 0.0000000 2.8513437 5 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 6 U 5.2967963 -0.4142771 -0.0000000 -0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 7 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 8 U 5.2967963 0.4142771 -0.0000000 0.4579458 4.8821762 0.0000000 -0.0000000 0.0000000 4.9900163 9 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 10 B 2.4773190 1.1998062 -0.0000000 -0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 11 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 12 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 13 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 14 B 3.1534524 0.8221629 -0.0000000 0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 15 B 3.1534524 -0.8221629 -0.0000000 -0.9006828 2.3297137 0.0000000 -0.0000000 0.0000000 0.6128610 16 B 2.4773190 -1.1998062 -0.0000000 0.4225417 3.5808259 0.0000000 -0.0000000 0.0000000 0.6207859 17 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 18 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 19 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 20 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 21 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 22 O -0.7104461 0.0134371 -0.0233046 -0.0467555 -0.6849508 -0.0933922 0.0152502 -0.0325810 -2.9121845 23 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 24 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 25 O -2.5522723 1.1477344 -0.0000000 0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 26 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 27 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 28 O -1.8165717 -0.3459461 -0.0000000 -0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 29 O -2.1689355 0.2355640 -0.0000000 0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 30 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 31 O -2.9083344 -0.5653358 -0.0000000 -0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 32 O -0.7104461 -0.0134371 -0.0233046 0.0467555 -0.6849508 0.0933922 0.0152502 0.0325810 -2.9121845 33 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 34 O -0.7104461 0.0134371 0.0233046 -0.0467555 -0.6849508 0.0933922 -0.0152502 0.0325810 -2.9121845 35 O -2.5011959 -0.1609071 -0.0000000 -0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 36 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 37 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 38 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 39 O -1.8165717 0.3459461 -0.0000000 0.0432965 -2.9187459 0.0000000 -0.0000000 0.0000000 -0.7117122 40 O -0.7104461 -0.0134371 0.0233046 0.0467555 -0.6849508 -0.0933922 -0.0152502 -0.0325810 -2.9121845 41 O -2.5522723 -1.1477344 -0.0000000 -0.8230483 -2.6661971 0.0000000 -0.0000000 0.0000000 -0.7338666 42 O -2.9083344 0.5653358 -0.0000000 0.9568640 -2.0283439 0.0000000 -0.0000000 0.0000000 -0.3982821 43 O -2.5011959 0.1609071 -0.0000000 0.2333806 -1.9639832 0.0000000 -0.0000000 0.0000000 -0.7000209 44 O -2.1689355 -0.2355640 -0.0000000 -0.2013448 -2.1129529 0.0000000 -0.0000000 0.0000000 -0.7067559 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 6 ] 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: 0.50, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 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 1.110 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.547 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 11.023 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.483 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.283 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 15.389 ( 0.000 0.000 0.000) 0.000 15.392 ( 0.000 0.000 0.000) 0.000 15.765 ( 0.000 0.000 0.000) 0.000 16.088 ( 0.000 0.000 0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.436 ( 0.000 0.000 0.000) 0.000 18.552 ( 0.000 0.000 0.000) 0.000 18.595 ( 0.000 0.000 0.000) 0.000 19.042 ( 0.000 0.000 0.000) 0.000 19.060 ( 0.000 0.000 0.000) 0.000 19.584 ( 0.000 0.000 0.000) 0.000 19.593 ( 0.000 0.000 0.000) 0.000 19.668 ( 0.000 0.000 0.000) 0.000 19.679 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 20.571 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.793 ( 0.000 0.000 0.000) 0.000 21.254 ( 0.000 0.000 0.000) 0.000 24.321 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.630 ( 0.000 0.000 0.000) 0.000 24.972 ( 0.000 0.000 0.000) 0.000 25.137 ( 0.000 0.000 0.000) 0.000 25.199 ( 0.000 0.000 0.000) 0.000 25.255 ( 0.000 0.000 0.000) 0.000 25.673 ( 0.000 0.000 0.000) 0.000 26.302 ( 0.000 0.000 0.000) 0.000 26.432 ( 0.000 0.000 0.000) 0.000 26.645 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 30.159 ( 0.000 0.000 0.000) 0.000 30.265 ( 0.000 0.000 0.000) 0.000 30.302 ( 0.000 0.000 0.000) 0.000 35.557 ( 0.000 0.000 0.000) 0.000 35.735 ( 0.000 0.000 0.000) 0.000 35.903 ( 0.000 0.000 0.000) 0.000 36.147 ( 0.000 0.000 0.000) 0.000 38.727 ( 0.000 0.000 0.000) 0.000 38.774 ( 0.000 0.000 0.000) 0.000 39.210 ( 0.000 0.000 0.000) 0.000 39.231 ( 0.000 0.000 0.000) 0.000 39.373 ( 0.000 0.000 0.000) 0.000 39.544 ( 0.000 0.000 0.000) 0.000 39.704 ( 0.000 0.000 0.000) 0.000 39.885 ( 0.000 0.000 0.000) 0.000 41.574 ( 0.000 0.000 0.000) 0.000 41.722 ( 0.000 0.000 0.000) 0.000 43.003 ( 0.000 0.000 0.000) 0.000 44.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 18.001 0.000 0.000) 18.001 0.766 ( 37.667 0.000 0.000) 37.667 1.189 ( 7.539 0.000 0.000) 7.539 1.367 ( 0.905 0.000 0.000) 0.905 1.425 ( 67.019 0.000 0.000) 67.019 1.745 ( 11.445 0.000 0.000) 11.445 2.070 ( -7.990 0.000 0.000) 7.990 2.143 ( 38.376 0.000 0.000) 38.376 2.431 ( 15.597 0.000 0.000) 15.597 2.587 ( -5.265 0.000 0.000) 5.265 2.616 ( -4.518 0.000 0.000) 4.518 2.707 ( -0.445 0.000 0.000) 0.445 2.720 ( 4.546 0.000 0.000) 4.546 2.725 ( -4.075 0.000 0.000) 4.075 2.959 ( 3.759 0.000 0.000) 3.759 3.199 ( -22.879 0.000 0.000) 22.879 3.212 ( 7.320 0.000 0.000) 7.320 3.473 ( 1.974 0.000 0.000) 1.974 3.937 ( -0.414 0.000 0.000) 0.414 4.169 ( 2.733 0.000 0.000) 2.733 4.678 ( -13.753 0.000 0.000) 13.753 4.720 ( 19.024 0.000 0.000) 19.024 4.934 ( 4.617 0.000 0.000) 4.617 5.219 ( 4.583 0.000 0.000) 4.583 5.302 ( 5.994 0.000 0.000) 5.994 5.429 ( 18.961 0.000 0.000) 18.961 5.601 ( -13.884 0.000 0.000) 13.884 5.751 ( -5.618 0.000 0.000) 5.618 5.772 ( 1.524 0.000 0.000) 1.524 5.951 ( 4.110 0.000 0.000) 4.110 5.961 ( 1.658 0.000 0.000) 1.658 6.104 ( 5.348 0.000 0.000) 5.348 6.194 ( -17.410 0.000 0.000) 17.410 6.508 ( -5.269 0.000 0.000) 5.269 6.566 ( 0.156 0.000 0.000) 0.156 6.648 ( -7.661 0.000 0.000) 7.661 6.687 ( -0.620 0.000 0.000) 0.620 6.780 ( 1.346 0.000 0.000) 1.346 6.871 ( 6.510 0.000 0.000) 6.510 6.893 ( -7.360 0.000 0.000) 7.360 6.983 ( -1.793 0.000 0.000) 1.793 7.003 ( 13.492 0.000 0.000) 13.492 7.115 ( 1.475 0.000 0.000) 1.475 7.430 ( 5.623 0.000 0.000) 5.623 7.494 ( -2.287 0.000 0.000) 2.287 7.563 ( -7.162 0.000 0.000) 7.162 7.590 ( 11.892 0.000 0.000) 11.892 7.595 ( 5.348 0.000 0.000) 5.348 7.647 ( -3.829 0.000 0.000) 3.829 7.769 ( 2.521 0.000 0.000) 2.521 7.807 ( 6.716 0.000 0.000) 6.716 7.969 ( -5.508 0.000 0.000) 5.508 8.082 ( -4.507 0.000 0.000) 4.507 8.242 ( -11.590 0.000 0.000) 11.590 8.369 ( -0.059 0.000 0.000) 0.059 8.449 ( 2.589 0.000 0.000) 2.589 8.459 ( -16.199 0.000 0.000) 16.199 8.473 ( -1.660 0.000 0.000) 1.660 8.516 ( 0.916 0.000 0.000) 0.916 8.727 ( -0.114 0.000 0.000) 0.114 8.877 ( 3.914 0.000 0.000) 3.914 8.949 ( -9.138 0.000 0.000) 9.138 9.612 ( 1.894 0.000 0.000) 1.894 9.931 ( 0.360 0.000 0.000) 0.360 9.941 ( 1.349 0.000 0.000) 1.349 10.002 ( 8.628 0.000 0.000) 8.628 10.118 ( 15.820 0.000 0.000) 15.820 10.666 ( -6.849 0.000 0.000) 6.849 10.743 ( -7.981 0.000 0.000) 7.981 10.852 ( -7.587 0.000 0.000) 7.587 11.016 ( -1.406 0.000 0.000) 1.406 11.585 ( -6.012 0.000 0.000) 6.012 12.325 ( -0.358 0.000 0.000) 0.358 12.414 ( 4.471 0.000 0.000) 4.471 12.487 ( 0.227 0.000 0.000) 0.227 13.095 ( -12.133 0.000 0.000) 12.133 14.103 ( -8.856 0.000 0.000) 8.856 14.152 ( -10.570 0.000 0.000) 10.570 14.457 ( 0.547 0.000 0.000) 0.547 14.741 ( 11.377 0.000 0.000) 11.377 15.337 ( -2.349 0.000 0.000) 2.349 15.417 ( 2.852 0.000 0.000) 2.852 15.891 ( 9.926 0.000 0.000) 9.926 16.139 ( -0.755 0.000 0.000) 0.755 18.327 ( 7.691 0.000 0.000) 7.691 18.636 ( 7.463 0.000 0.000) 7.463 18.669 ( 6.538 0.000 0.000) 6.538 19.043 ( 0.135 0.000 0.000) 0.135 19.062 ( 0.126 0.000 0.000) 0.126 19.244 ( 1.353 0.000 0.000) 1.353 19.581 ( -0.225 0.000 0.000) 0.225 19.597 ( 0.327 0.000 0.000) 0.327 19.667 ( -0.070 0.000 0.000) 0.070 19.677 ( -0.154 0.000 0.000) 0.154 20.386 ( 0.057 0.000 0.000) 0.057 20.433 ( -0.285 0.000 0.000) 0.285 20.586 ( 1.601 0.000 0.000) 1.601 20.683 ( -6.459 0.000 0.000) 6.459 21.078 ( -3.497 0.000 0.000) 3.497 21.221 ( -3.162 0.000 0.000) 3.162 24.308 ( -1.284 0.000 0.000) 1.284 24.398 ( 0.338 0.000 0.000) 0.338 24.568 ( -5.699 0.000 0.000) 5.699 24.985 ( 1.322 0.000 0.000) 1.322 25.159 ( -4.354 0.000 0.000) 4.354 25.168 ( 2.768 0.000 0.000) 2.768 25.319 ( 4.417 0.000 0.000) 4.417 25.635 ( -3.076 0.000 0.000) 3.076 26.316 ( 1.382 0.000 0.000) 1.382 26.449 ( 1.726 0.000 0.000) 1.726 26.630 ( -1.478 0.000 0.000) 1.478 26.819 ( -1.847 0.000 0.000) 1.847 30.126 ( -0.957 0.000 0.000) 0.957 30.174 ( -2.086 0.000 0.000) 2.086 30.270 ( 0.524 0.000 0.000) 0.524 30.309 ( 0.610 0.000 0.000) 0.610 35.614 ( 5.436 0.000 0.000) 5.436 36.023 ( 11.448 0.000 0.000) 11.448 36.263 ( 11.231 0.000 0.000) 11.231 37.656 ( -3.881 0.000 0.000) 3.881 38.735 ( 0.761 0.000 0.000) 0.761 38.781 ( 0.687 0.000 0.000) 0.687 39.184 ( -1.746 0.000 0.000) 1.746 39.251 ( 1.169 0.000 0.000) 1.169 39.412 ( 0.916 0.000 0.000) 0.916 39.543 ( -0.155 0.000 0.000) 0.155 39.747 ( 4.250 0.000 0.000) 4.250 41.097 ( -0.271 0.000 0.000) 0.271 41.585 ( 1.085 0.000 0.000) 1.085 41.726 ( 0.457 0.000 0.000) 0.457 43.185 ( -2.370 0.000 0.000) 2.370 44.545 ( -11.276 0.000 0.000) 11.276 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 18.118 0.000 0.000) 18.118 1.367 ( 10.084 0.000 0.000) 10.084 1.438 ( 30.600 0.000 0.000) 30.600 1.482 ( 11.019 0.000 0.000) 11.019 1.850 ( -13.817 0.000 0.000) 13.817 1.940 ( 7.290 0.000 0.000) 7.290 2.411 ( -10.237 0.000 0.000) 10.237 2.419 ( 24.434 0.000 0.000) 24.434 2.479 ( -7.327 0.000 0.000) 7.327 2.655 ( -16.988 0.000 0.000) 16.988 2.672 ( -1.434 0.000 0.000) 1.434 2.674 ( 8.697 0.000 0.000) 8.697 2.836 ( 20.899 0.000 0.000) 20.899 2.888 ( 13.134 0.000 0.000) 13.134 2.975 ( 20.725 0.000 0.000) 20.725 3.071 ( 7.664 0.000 0.000) 7.664 3.354 ( 6.937 0.000 0.000) 6.937 3.514 ( 1.786 0.000 0.000) 1.786 3.931 ( -0.181 0.000 0.000) 0.181 4.138 ( -7.580 0.000 0.000) 7.580 4.590 ( 6.427 0.000 0.000) 6.427 4.888 ( 0.355 0.000 0.000) 0.355 5.092 ( -6.225 0.000 0.000) 6.225 5.321 ( 5.591 0.000 0.000) 5.591 5.398 ( 10.498 0.000 0.000) 10.498 5.482 ( 12.366 0.000 0.000) 12.366 5.713 ( -0.417 0.000 0.000) 0.417 5.776 ( 11.086 0.000 0.000) 11.086 5.823 ( -14.805 0.000 0.000) 14.805 5.861 ( 8.056 0.000 0.000) 8.056 6.003 ( 2.335 0.000 0.000) 2.335 6.172 ( 20.187 0.000 0.000) 20.187 6.195 ( 3.427 0.000 0.000) 3.427 6.405 ( -5.208 0.000 0.000) 5.208 6.535 ( -2.943 0.000 0.000) 2.943 6.555 ( 0.236 0.000 0.000) 0.236 6.661 ( -1.890 0.000 0.000) 1.890 6.714 ( -11.587 0.000 0.000) 11.587 6.802 ( 0.216 0.000 0.000) 0.216 6.937 ( -1.894 0.000 0.000) 1.894 6.960 ( 0.260 0.000 0.000) 0.260 7.152 ( 1.913 0.000 0.000) 1.913 7.245 ( 10.623 0.000 0.000) 10.623 7.419 ( -8.883 0.000 0.000) 8.883 7.433 ( -3.416 0.000 0.000) 3.416 7.473 ( -0.674 0.000 0.000) 0.674 7.529 ( -8.343 0.000 0.000) 8.343 7.679 ( 0.679 0.000 0.000) 0.679 7.698 ( -10.349 0.000 0.000) 10.349 7.804 ( 1.299 0.000 0.000) 1.299 7.838 ( 8.286 0.000 0.000) 8.286 7.841 ( -7.125 0.000 0.000) 7.125 7.962 ( -8.189 0.000 0.000) 8.189 8.170 ( -9.543 0.000 0.000) 9.543 8.260 ( 11.397 0.000 0.000) 11.397 8.361 ( -1.037 0.000 0.000) 1.037 8.436 ( -1.747 0.000 0.000) 1.747 8.502 ( 2.482 0.000 0.000) 2.482 8.534 ( 0.879 0.000 0.000) 0.879 8.723 ( -0.274 0.000 0.000) 0.274 8.821 ( -2.670 0.000 0.000) 2.670 9.007 ( 10.030 0.000 0.000) 10.030 9.664 ( 3.350 0.000 0.000) 3.350 9.937 ( -0.025 0.000 0.000) 0.025 9.950 ( -1.191 0.000 0.000) 1.191 10.131 ( 1.906 0.000 0.000) 1.906 10.433 ( 14.475 0.000 0.000) 14.475 10.484 ( -10.017 0.000 0.000) 10.017 10.507 ( -18.045 0.000 0.000) 18.045 10.725 ( -0.111 0.000 0.000) 0.111 10.939 ( -6.680 0.000 0.000) 6.680 11.407 ( -11.704 0.000 0.000) 11.704 12.323 ( 0.653 0.000 0.000) 0.653 12.482 ( 0.224 0.000 0.000) 0.224 12.488 ( 1.242 0.000 0.000) 1.242 12.811 ( -15.292 0.000 0.000) 15.292 13.955 ( -8.392 0.000 0.000) 8.392 13.959 ( -5.312 0.000 0.000) 5.312 14.462 ( 0.343 0.000 0.000) 0.343 14.944 ( 8.660 0.000 0.000) 8.660 15.358 ( 4.195 0.000 0.000) 4.195 15.504 ( 5.567 0.000 0.000) 5.567 16.074 ( 7.839 0.000 0.000) 7.839 16.133 ( 0.051 0.000 0.000) 0.051 18.520 ( 11.013 0.000 0.000) 11.013 18.783 ( 6.150 0.000 0.000) 6.150 18.800 ( 5.935 0.000 0.000) 5.935 19.047 ( 0.177 0.000 0.000) 0.177 19.065 ( 0.150 0.000 0.000) 0.150 19.275 ( 1.581 0.000 0.000) 1.581 19.577 ( -0.177 0.000 0.000) 0.177 19.603 ( 0.274 0.000 0.000) 0.274 19.666 ( -0.053 0.000 0.000) 0.053 19.673 ( -0.228 0.000 0.000) 0.228 20.389 ( 0.315 0.000 0.000) 0.315 20.425 ( -0.559 0.000 0.000) 0.559 20.527 ( -8.579 0.000 0.000) 8.579 20.636 ( 3.587 0.000 0.000) 3.587 20.982 ( -6.065 0.000 0.000) 6.065 21.146 ( -4.075 0.000 0.000) 4.075 24.285 ( -0.806 0.000 0.000) 0.806 24.412 ( 1.197 0.000 0.000) 1.197 24.441 ( -6.502 0.000 0.000) 6.502 25.013 ( -1.009 0.000 0.000) 1.009 25.032 ( -5.689 0.000 0.000) 5.689 25.227 ( 2.894 0.000 0.000) 2.894 25.418 ( 5.071 0.000 0.000) 5.071 25.589 ( -1.234 0.000 0.000) 1.234 26.353 ( 2.296 0.000 0.000) 2.296 26.496 ( 2.892 0.000 0.000) 2.892 26.590 ( -2.416 0.000 0.000) 2.416 26.770 ( -3.033 0.000 0.000) 3.033 30.098 ( -1.692 0.000 0.000) 1.692 30.128 ( -2.318 0.000 0.000) 2.318 30.285 ( 0.930 0.000 0.000) 0.930 30.320 ( 0.467 0.000 0.000) 0.467 35.743 ( 6.933 0.000 0.000) 6.933 36.289 ( 13.887 0.000 0.000) 13.887 36.542 ( 16.013 0.000 0.000) 16.013 37.545 ( -7.344 0.000 0.000) 7.344 38.753 ( 0.962 0.000 0.000) 0.962 38.797 ( 0.840 0.000 0.000) 0.840 39.151 ( -1.490 0.000 0.000) 1.490 39.268 ( 0.433 0.000 0.000) 0.433 39.437 ( 1.649 0.000 0.000) 1.649 39.535 ( -0.670 0.000 0.000) 0.670 39.853 ( 5.935 0.000 0.000) 5.935 41.089 ( -0.437 0.000 0.000) 0.437 41.612 ( 1.519 0.000 0.000) 1.519 41.739 ( 0.774 0.000 0.000) 0.774 43.128 ( -3.048 0.000 0.000) 3.048 44.277 ( -14.422 0.000 0.000) 14.422 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.256 0.000 0.000) 13.256 1.571 ( 8.763 0.000 0.000) 8.763 1.575 ( -12.078 0.000 0.000) 12.078 1.736 ( 12.848 0.000 0.000) 12.848 1.943 ( 20.775 0.000 0.000) 20.775 2.013 ( 1.131 0.000 0.000) 1.131 2.210 ( -9.349 0.000 0.000) 9.349 2.246 ( -16.663 0.000 0.000) 16.663 2.287 ( -12.446 0.000 0.000) 12.446 2.583 ( 2.067 0.000 0.000) 2.067 2.658 ( -0.203 0.000 0.000) 0.203 2.766 ( 2.382 0.000 0.000) 2.382 3.184 ( 5.907 0.000 0.000) 5.907 3.213 ( 11.790 0.000 0.000) 11.790 3.220 ( 4.485 0.000 0.000) 4.485 3.285 ( 11.333 0.000 0.000) 11.333 3.475 ( 5.013 0.000 0.000) 5.013 3.530 ( -0.507 0.000 0.000) 0.507 3.930 ( 0.037 0.000 0.000) 0.037 3.979 ( -5.857 0.000 0.000) 5.857 4.743 ( -10.117 0.000 0.000) 10.117 4.803 ( 10.852 0.000 0.000) 10.852 4.973 ( -0.739 0.000 0.000) 0.739 5.410 ( 2.792 0.000 0.000) 2.792 5.462 ( -13.721 0.000 0.000) 13.721 5.670 ( 2.929 0.000 0.000) 2.929 5.748 ( 12.130 0.000 0.000) 12.130 5.801 ( 14.126 0.000 0.000) 14.126 6.021 ( 6.612 0.000 0.000) 6.612 6.039 ( 7.641 0.000 0.000) 7.641 6.043 ( 1.619 0.000 0.000) 1.619 6.184 ( -5.411 0.000 0.000) 5.411 6.323 ( -2.546 0.000 0.000) 2.546 6.433 ( -12.613 0.000 0.000) 12.613 6.485 ( -1.058 0.000 0.000) 1.058 6.625 ( -1.294 0.000 0.000) 1.294 6.636 ( 15.311 0.000 0.000) 15.311 6.683 ( 8.076 0.000 0.000) 8.076 6.795 ( 3.683 0.000 0.000) 3.683 6.841 ( -4.664 0.000 0.000) 4.664 7.017 ( 1.133 0.000 0.000) 1.133 7.138 ( -4.379 0.000 0.000) 4.379 7.203 ( 0.770 0.000 0.000) 0.770 7.334 ( -1.343 0.000 0.000) 1.343 7.398 ( -0.919 0.000 0.000) 0.919 7.452 ( 5.313 0.000 0.000) 5.313 7.492 ( -7.956 0.000 0.000) 7.956 7.505 ( 1.890 0.000 0.000) 1.890 7.575 ( -17.658 0.000 0.000) 17.658 7.712 ( -5.164 0.000 0.000) 5.164 7.813 ( -2.152 0.000 0.000) 2.152 7.826 ( 0.867 0.000 0.000) 0.867 8.022 ( -5.813 0.000 0.000) 5.813 8.084 ( 13.280 0.000 0.000) 13.280 8.331 ( -1.394 0.000 0.000) 1.394 8.368 ( -2.593 0.000 0.000) 2.593 8.417 ( -0.337 0.000 0.000) 0.337 8.538 ( 1.021 0.000 0.000) 1.021 8.547 ( 0.361 0.000 0.000) 0.361 8.717 ( -0.199 0.000 0.000) 0.199 8.843 ( 2.581 0.000 0.000) 2.581 9.292 ( 17.900 0.000 0.000) 17.900 9.720 ( 1.481 0.000 0.000) 1.481 9.797 ( -17.035 0.000 0.000) 17.035 9.933 ( 0.196 0.000 0.000) 0.196 10.052 ( -4.000 0.000 0.000) 4.000 10.274 ( -3.526 0.000 0.000) 3.526 10.333 ( -3.890 0.000 0.000) 3.890 10.653 ( 6.858 0.000 0.000) 6.858 10.787 ( 3.552 0.000 0.000) 3.552 10.792 ( -6.424 0.000 0.000) 6.424 11.192 ( -7.679 0.000 0.000) 7.679 12.373 ( 4.866 0.000 0.000) 4.866 12.470 ( -0.605 0.000 0.000) 0.605 12.498 ( -0.137 0.000 0.000) 0.137 12.548 ( -10.878 0.000 0.000) 10.878 13.844 ( -2.906 0.000 0.000) 2.906 13.895 ( -1.457 0.000 0.000) 1.457 14.476 ( 0.757 0.000 0.000) 0.757 15.064 ( 3.330 0.000 0.000) 3.330 15.448 ( 3.314 0.000 0.000) 3.314 15.596 ( 2.873 0.000 0.000) 2.873 16.135 ( 0.065 0.000 0.000) 0.065 16.179 ( 2.802 0.000 0.000) 2.802 18.712 ( 7.301 0.000 0.000) 7.301 18.842 ( -0.173 0.000 0.000) 0.173 18.880 ( 2.074 0.000 0.000) 2.074 19.049 ( 0.083 0.000 0.000) 0.083 19.067 ( 0.064 0.000 0.000) 0.064 19.298 ( 0.642 0.000 0.000) 0.642 19.575 ( -0.069 0.000 0.000) 0.069 19.607 ( 0.101 0.000 0.000) 0.101 19.665 ( 0.026 0.000 0.000) 0.026 19.669 ( -0.152 0.000 0.000) 0.152 20.393 ( -4.041 0.000 0.000) 4.041 20.399 ( 0.614 0.000 0.000) 0.614 20.412 ( -0.708 0.000 0.000) 0.708 20.727 ( 5.542 0.000 0.000) 5.542 20.854 ( -6.673 0.000 0.000) 6.673 21.083 ( -1.866 0.000 0.000) 1.866 24.280 ( 0.244 0.000 0.000) 0.244 24.341 ( -3.159 0.000 0.000) 3.159 24.440 ( 1.298 0.000 0.000) 1.298 24.879 ( -4.961 0.000 0.000) 4.961 25.046 ( 0.825 0.000 0.000) 0.825 25.269 ( 1.195 0.000 0.000) 1.195 25.493 ( 2.142 0.000 0.000) 2.142 25.580 ( -0.010 0.000 0.000) 0.010 26.395 ( 1.629 0.000 0.000) 1.629 26.546 ( -1.682 0.000 0.000) 1.682 26.551 ( 2.174 0.000 0.000) 2.174 26.713 ( -2.233 0.000 0.000) 2.233 30.071 ( -0.825 0.000 0.000) 0.825 30.093 ( -0.993 0.000 0.000) 0.993 30.300 ( 0.421 0.000 0.000) 0.421 30.327 ( 0.164 0.000 0.000) 0.164 35.849 ( 3.140 0.000 0.000) 3.140 36.496 ( 6.040 0.000 0.000) 6.040 36.821 ( 10.154 0.000 0.000) 10.154 37.394 ( -6.460 0.000 0.000) 6.460 38.768 ( 0.433 0.000 0.000) 0.433 38.810 ( 0.365 0.000 0.000) 0.365 39.130 ( -0.575 0.000 0.000) 0.575 39.270 ( -0.033 0.000 0.000) 0.033 39.472 ( 1.632 0.000 0.000) 1.632 39.516 ( -1.183 0.000 0.000) 1.183 39.947 ( 2.925 0.000 0.000) 2.925 41.082 ( -0.230 0.000 0.000) 0.230 41.636 ( 0.741 0.000 0.000) 0.741 41.752 ( 0.459 0.000 0.000) 0.459 43.081 ( -1.396 0.000 0.000) 1.396 44.055 ( -6.625 0.000 0.000) 6.625 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 0.000 12.793 0.000) 12.793 0.813 ( 0.000 38.969 0.000) 38.969 1.020 ( 0.000 -8.513 0.000) 8.513 1.261 ( 0.000 55.854 0.000) 55.854 1.469 ( 0.000 9.121 0.000) 9.121 1.840 ( 0.000 15.864 0.000) 15.864 1.994 ( 0.000 28.006 0.000) 28.006 2.214 ( 0.000 5.849 0.000) 5.849 2.236 ( 0.000 -2.786 0.000) 2.786 2.577 ( 0.000 -11.379 0.000) 11.379 2.590 ( 0.000 -5.064 0.000) 5.064 2.675 ( 0.000 0.810 0.000) 0.810 2.725 ( 0.000 -1.919 0.000) 1.919 2.760 ( 0.000 -2.455 0.000) 2.455 2.881 ( 0.000 -2.915 0.000) 2.915 2.923 ( 0.000 -13.543 0.000) 13.543 3.500 ( 0.000 4.374 0.000) 4.374 3.535 ( 0.000 4.573 0.000) 4.573 4.072 ( 0.000 1.402 0.000) 1.402 4.168 ( 0.000 10.588 0.000) 10.588 4.412 ( 0.000 -6.544 0.000) 6.544 4.657 ( 0.000 -9.810 0.000) 9.810 5.088 ( 0.000 2.916 0.000) 2.916 5.125 ( 0.000 4.972 0.000) 4.972 5.300 ( 0.000 7.235 0.000) 7.235 5.333 ( 0.000 9.565 0.000) 9.565 5.608 ( 0.000 -6.516 0.000) 6.516 5.918 ( 0.000 -1.322 0.000) 1.322 5.934 ( 0.000 -3.576 0.000) 3.576 5.951 ( 0.000 1.742 0.000) 1.742 6.055 ( 0.000 6.028 0.000) 6.028 6.101 ( 0.000 1.236 0.000) 1.236 6.337 ( 0.000 -3.628 0.000) 3.628 6.503 ( 0.000 -2.066 0.000) 2.066 6.569 ( 0.000 -0.644 0.000) 0.644 6.648 ( 0.000 -1.310 0.000) 1.310 6.682 ( 0.000 3.496 0.000) 3.496 6.815 ( 0.000 0.837 0.000) 0.837 6.823 ( 0.000 2.036 0.000) 2.036 6.833 ( 0.000 0.161 0.000) 0.161 6.870 ( 0.000 -0.666 0.000) 0.666 7.008 ( 0.000 -0.729 0.000) 0.729 7.032 ( 0.000 2.443 0.000) 2.443 7.119 ( 0.000 -14.173 0.000) 14.173 7.270 ( 0.000 -15.621 0.000) 15.621 7.423 ( 0.000 0.697 0.000) 0.697 7.536 ( 0.000 -2.544 0.000) 2.544 7.661 ( 0.000 -3.431 0.000) 3.431 7.730 ( 0.000 3.280 0.000) 3.280 7.848 ( 0.000 5.561 0.000) 5.561 7.902 ( 0.000 10.897 0.000) 10.897 7.929 ( 0.000 -24.159 0.000) 24.159 8.063 ( 0.000 -14.022 0.000) 14.022 8.066 ( 0.000 4.987 0.000) 4.987 8.367 ( 0.000 -16.268 0.000) 16.268 8.377 ( 0.000 0.409 0.000) 0.409 8.403 ( 0.000 -1.471 0.000) 1.471 8.466 ( 0.000 -2.664 0.000) 2.664 8.520 ( 0.000 1.990 0.000) 1.990 8.711 ( 0.000 -1.687 0.000) 1.687 8.895 ( 0.000 7.191 0.000) 7.191 9.235 ( 0.000 5.684 0.000) 5.684 9.489 ( 0.000 -5.922 0.000) 5.922 9.679 ( 0.000 -10.638 0.000) 10.638 10.013 ( 0.000 8.492 0.000) 8.492 10.106 ( 0.000 14.716 0.000) 14.716 10.380 ( 0.000 8.427 0.000) 8.427 10.694 ( 0.000 -4.267 0.000) 4.267 10.795 ( 0.000 6.511 0.000) 6.511 11.064 ( 0.000 12.135 0.000) 12.135 11.085 ( 0.000 5.044 0.000) 5.044 11.410 ( 0.000 0.136 0.000) 0.136 12.336 ( 0.000 0.687 0.000) 0.687 12.447 ( 0.000 -2.079 0.000) 2.079 12.531 ( 0.000 3.928 0.000) 3.928 13.269 ( 0.000 -11.987 0.000) 11.987 14.218 ( 0.000 -0.819 0.000) 0.819 14.323 ( 0.000 -3.724 0.000) 3.724 14.439 ( 0.000 0.297 0.000) 0.297 14.676 ( 0.000 -3.820 0.000) 3.820 15.446 ( 0.000 5.211 0.000) 5.211 15.736 ( 0.000 0.756 0.000) 0.756 15.758 ( 0.000 -0.692 0.000) 0.692 16.022 ( 0.000 -6.316 0.000) 6.316 18.280 ( 0.000 2.931 0.000) 2.931 18.460 ( 0.000 2.240 0.000) 2.240 18.534 ( 0.000 -3.113 0.000) 3.113 18.598 ( 0.000 -0.433 0.000) 0.433 19.044 ( 0.000 0.168 0.000) 0.168 19.059 ( 0.000 -0.165 0.000) 0.165 19.585 ( 0.000 0.069 0.000) 0.069 19.592 ( 0.000 -0.085 0.000) 0.085 19.669 ( 0.000 0.114 0.000) 0.114 19.678 ( 0.000 -0.089 0.000) 0.089 20.389 ( 0.000 0.289 0.000) 0.289 20.429 ( 0.000 -0.607 0.000) 0.607 20.585 ( 0.000 1.310 0.000) 1.310 20.725 ( 0.000 -1.989 0.000) 1.989 20.852 ( 0.000 5.195 0.000) 5.195 21.246 ( 0.000 -3.898 0.000) 3.898 24.348 ( 0.000 2.545 0.000) 2.545 24.479 ( 0.000 8.099 0.000) 8.099 24.595 ( 0.000 -3.213 0.000) 3.213 25.031 ( 0.000 -1.241 0.000) 1.241 25.142 ( 0.000 -0.056 0.000) 0.056 25.172 ( 0.000 -1.774 0.000) 1.774 25.290 ( 0.000 2.465 0.000) 2.465 25.595 ( 0.000 -8.400 0.000) 8.400 26.311 ( 0.000 0.903 0.000) 0.903 26.413 ( 0.000 -1.620 0.000) 1.620 26.668 ( 0.000 2.119 0.000) 2.119 26.821 ( 0.000 -1.546 0.000) 1.546 30.148 ( 0.000 1.308 0.000) 1.308 30.174 ( 0.000 1.374 0.000) 1.374 30.261 ( 0.000 -1.269 0.000) 1.269 30.289 ( 0.000 -1.186 0.000) 1.186 35.594 ( 0.000 3.540 0.000) 3.540 35.772 ( 0.000 3.523 0.000) 3.523 35.960 ( 0.000 -4.999 0.000) 4.999 36.107 ( 0.000 -3.813 0.000) 3.813 38.835 ( 0.000 5.746 0.000) 5.746 38.928 ( 0.000 4.348 0.000) 4.348 39.206 ( 0.000 -2.411 0.000) 2.411 39.320 ( 0.000 -5.013 0.000) 5.013 39.481 ( 0.000 0.565 0.000) 0.565 39.599 ( 0.000 4.023 0.000) 4.023 39.678 ( 0.000 -2.441 0.000) 2.441 39.854 ( 0.000 -2.903 0.000) 2.903 41.733 ( 0.000 14.771 0.000) 14.771 42.886 ( 0.000 -11.279 0.000) 11.279 44.591 ( 0.000 0.720 0.000) 0.720 44.655 ( 0.000 -0.687 0.000) 0.687 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 14.743 7.980 0.000) 16.764 1.059 ( 23.726 24.935 0.000) 34.419 1.105 ( 8.251 -8.273 0.000) 11.684 1.454 ( 0.111 9.101 0.000) 9.102 1.835 ( 41.586 28.850 0.000) 50.614 1.926 ( 7.703 18.357 0.000) 19.908 2.139 ( -7.533 5.990 0.000) 9.624 2.304 ( 26.490 11.844 0.000) 29.017 2.372 ( 10.502 -8.224 0.000) 13.339 2.520 ( -6.365 -4.747 0.000) 7.940 2.558 ( 0.590 -10.375 0.000) 10.392 2.633 ( -3.179 1.613 0.000) 3.564 2.705 ( -0.393 -0.391 0.000) 0.555 2.812 ( 9.185 3.336 0.000) 9.772 2.942 ( 5.168 -1.161 0.000) 5.297 3.077 ( 9.167 -10.018 0.000) 13.579 3.279 ( -18.744 7.122 0.000) 20.052 3.530 ( 2.218 5.145 0.000) 5.603 3.999 ( -10.539 0.588 0.000) 10.556 4.086 ( 0.360 -6.911 0.000) 6.920 4.605 ( 8.053 1.447 0.000) 8.182 4.823 ( 17.583 3.160 0.000) 17.865 4.976 ( -2.852 4.423 0.000) 5.262 5.238 ( 3.919 1.358 0.000) 4.148 5.365 ( 5.938 7.492 0.000) 9.560 5.471 ( 11.137 2.794 0.000) 11.482 5.576 ( -5.247 -3.392 0.000) 6.247 5.727 ( -8.171 0.253 0.000) 8.175 5.866 ( -5.022 6.546 0.000) 8.250 5.993 ( 1.893 3.294 0.000) 3.799 6.009 ( 0.369 -5.732 0.000) 5.744 6.034 ( -1.780 3.294 0.000) 3.744 6.205 ( -9.001 0.791 0.000) 9.036 6.481 ( -3.366 -1.503 0.000) 3.686 6.579 ( -2.009 0.508 0.000) 2.072 6.586 ( -5.164 -6.858 0.000) 8.585 6.692 ( -0.708 0.680 0.000) 0.982 6.797 ( -1.464 1.339 0.000) 1.984 6.853 ( -2.822 -0.574 0.000) 2.880 6.886 ( 5.142 1.018 0.000) 5.242 6.975 ( -2.012 -2.191 0.000) 2.975 6.999 ( 12.338 -0.601 0.000) 12.353 7.105 ( 2.896 -0.494 0.000) 2.937 7.182 ( 2.937 -12.526 0.000) 12.866 7.263 ( -0.109 -13.570 0.000) 13.571 7.500 ( 7.708 -4.978 0.000) 9.176 7.617 ( 4.841 -2.473 0.000) 5.436 7.660 ( -0.559 -4.340 0.000) 4.376 7.662 ( -5.678 4.224 0.000) 7.077 7.821 ( -3.532 1.427 0.000) 3.810 7.871 ( 1.357 0.693 0.000) 1.523 8.019 ( 0.332 -8.482 0.000) 8.488 8.044 ( -1.628 7.619 0.000) 7.791 8.047 ( 4.205 -10.744 0.000) 11.537 8.293 ( -7.385 -8.869 0.000) 11.541 8.374 ( -0.229 0.270 0.000) 0.354 8.429 ( 2.047 -1.742 0.000) 2.688 8.450 ( -1.401 -2.394 0.000) 2.773 8.535 ( 1.269 1.975 0.000) 2.348 8.711 ( 0.004 -1.560 0.000) 1.560 8.965 ( 4.946 8.361 0.000) 9.714 9.076 ( -8.868 8.961 0.000) 12.607 9.544 ( 4.240 -6.566 0.000) 7.816 9.857 ( 9.480 -10.073 0.000) 13.832 10.041 ( 2.740 7.954 0.000) 8.413 10.131 ( 0.366 10.034 0.000) 10.040 10.291 ( -3.832 14.483 0.000) 14.981 10.481 ( -7.336 -9.883 0.000) 12.308 10.730 ( -6.732 5.860 0.000) 8.925 10.849 ( -11.024 6.176 0.000) 12.636 11.348 ( -2.624 8.304 0.000) 8.709 11.528 ( 9.051 -4.147 0.000) 9.956 12.339 ( -0.009 1.448 0.000) 1.448 12.409 ( -2.117 -0.246 0.000) 2.132 12.504 ( -0.533 1.958 0.000) 2.029 13.006 ( -20.283 -8.624 0.000) 22.040 14.112 ( -7.564 1.030 0.000) 7.633 14.216 ( -13.227 3.602 0.000) 13.709 14.434 ( -0.532 -2.143 0.000) 2.207 14.599 ( 5.661 -8.675 0.000) 10.359 15.383 ( -5.733 5.755 0.000) 8.123 15.596 ( 1.311 9.294 0.000) 9.386 15.872 ( 7.365 -2.088 0.000) 7.655 16.044 ( 0.791 -8.380 0.000) 8.417 18.394 ( 7.793 5.285 0.000) 9.416 18.626 ( 8.944 -0.975 0.000) 8.997 18.666 ( 6.777 -0.326 0.000) 6.784 18.960 ( 22.134 -16.089 0.000) 27.363 19.045 ( 0.134 0.168 0.000) 0.215 19.060 ( 0.127 -0.164 0.000) 0.208 19.582 ( -0.177 0.131 0.000) 0.220 19.595 ( 0.270 -0.156 0.000) 0.312 19.668 ( -0.079 0.106 0.000) 0.132 19.676 ( -0.146 -0.082 0.000) 0.168 20.389 ( 0.043 0.277 0.000) 0.281 20.427 ( -0.237 -0.565 0.000) 0.613 20.593 ( 0.488 1.007 0.000) 1.119 20.725 ( -3.655 1.848 0.000) 4.096 20.916 ( 5.015 -4.678 0.000) 6.858 21.198 ( -4.041 -3.161 0.000) 5.131 24.331 ( -1.590 2.455 0.000) 2.925 24.470 ( -0.798 6.709 0.000) 6.756 24.539 ( -4.895 -2.230 0.000) 5.379 25.033 ( 0.211 0.703 0.000) 0.734 25.104 ( -3.518 -2.982 0.000) 4.612 25.197 ( 1.926 1.100 0.000) 2.218 25.308 ( 2.404 0.195 0.000) 2.412 25.565 ( -1.534 -6.161 0.000) 6.349 26.325 ( 1.389 0.912 0.000) 1.662 26.429 ( 1.585 -1.704 0.000) 2.327 26.654 ( -1.397 2.146 0.000) 2.561 26.804 ( -1.776 -1.482 0.000) 2.313 30.139 ( -1.018 1.269 0.000) 1.627 30.175 ( -0.726 0.843 0.000) 1.112 30.261 ( 0.108 -1.189 0.000) 1.194 30.290 ( 0.325 -1.465 0.000) 1.500 35.650 ( 4.774 3.405 0.000) 5.864 35.937 ( 12.571 -6.460 0.000) 14.134 36.221 ( 11.679 -3.473 0.000) 12.185 36.675 ( 41.879 -36.331 0.000) 55.441 38.843 ( 0.707 5.862 0.000) 5.904 38.924 ( -0.172 6.848 0.000) 6.850 39.214 ( 0.578 -2.173 0.000) 2.248 39.310 ( -1.970 0.961 0.000) 2.192 39.390 ( -3.151 1.241 0.000) 3.386 39.586 ( -0.295 4.120 0.000) 4.131 39.721 ( 3.815 -2.545 0.000) 4.586 40.136 ( 19.727 -22.206 0.000) 29.703 41.733 ( 0.005 14.782 0.000) 14.782 42.821 ( -7.300 -1.442 0.000) 7.441 43.694 ( -52.353 42.929 0.000) 67.703 44.527 ( -12.976 -2.143 0.000) 13.152 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 16.954 5.044 0.000) 17.689 1.310 ( 11.657 -7.994 0.000) 14.134 1.521 ( 6.892 7.867 0.000) 10.459 1.570 ( 25.867 11.883 0.000) 28.466 1.943 ( -11.188 7.437 0.000) 13.435 2.019 ( 3.056 7.081 0.000) 7.712 2.342 ( -10.258 -7.169 0.000) 12.515 2.416 ( 8.346 -2.113 0.000) 8.610 2.491 ( -3.440 -0.506 0.000) 3.477 2.518 ( 2.393 -11.615 0.000) 11.859 2.715 ( -13.562 5.356 0.000) 14.581 2.762 ( 10.519 7.372 0.000) 12.845 2.839 ( 28.787 5.068 0.000) 29.230 2.934 ( 3.620 2.301 0.000) 4.289 3.073 ( 8.778 0.406 0.000) 8.788 3.082 ( 15.739 5.994 0.000) 16.842 3.322 ( 9.721 -1.961 0.000) 9.917 3.595 ( 3.435 7.543 0.000) 8.288 3.791 ( -7.371 -11.613 0.000) 13.754 4.142 ( 4.105 -2.617 0.000) 4.868 4.646 ( -2.632 7.097 0.000) 7.570 4.963 ( 1.960 5.661 0.000) 5.991 5.092 ( -7.024 0.026 0.000) 7.024 5.330 ( 12.378 0.525 0.000) 12.389 5.430 ( 3.440 1.205 0.000) 3.644 5.494 ( 7.383 2.584 0.000) 7.822 5.629 ( 1.428 -4.879 0.000) 5.083 5.814 ( -2.024 0.886 0.000) 2.209 5.822 ( 2.469 1.051 0.000) 2.684 5.855 ( 2.021 -0.552 0.000) 2.094 6.042 ( 0.953 3.345 0.000) 3.478 6.165 ( 13.464 -1.360 0.000) 13.533 6.172 ( 2.122 -1.828 0.000) 2.801 6.396 ( -4.559 -0.446 0.000) 4.581 6.450 ( -8.724 -13.910 0.000) 16.420 6.533 ( -3.100 -0.513 0.000) 3.142 6.663 ( -2.179 0.351 0.000) 2.207 6.733 ( -2.460 4.286 0.000) 4.942 6.826 ( -0.197 1.708 0.000) 1.719 6.903 ( -4.812 -3.827 0.000) 6.148 6.975 ( 3.461 1.929 0.000) 3.962 7.129 ( 0.073 -0.335 0.000) 0.343 7.199 ( 0.799 -6.172 0.000) 6.223 7.214 ( 8.659 -3.200 0.000) 9.231 7.309 ( 5.133 -5.426 0.000) 7.469 7.482 ( -7.583 -10.552 0.000) 12.994 7.560 ( -3.768 3.881 0.000) 5.409 7.664 ( 4.283 2.565 0.000) 4.993 7.715 ( -6.462 -2.960 0.000) 7.108 7.773 ( 8.124 -0.567 0.000) 8.143 7.908 ( -2.949 12.749 0.000) 13.086 8.017 ( -1.124 10.199 0.000) 10.260 8.039 ( -1.450 -0.518 0.000) 1.540 8.134 ( 0.566 -4.261 0.000) 4.298 8.210 ( 7.590 -6.199 0.000) 9.800 8.361 ( -1.405 -0.103 0.000) 1.408 8.418 ( -1.136 -1.594 0.000) 1.958 8.472 ( 1.817 -2.387 0.000) 3.000 8.562 ( 1.370 2.160 0.000) 2.558 8.710 ( -0.108 -1.263 0.000) 1.268 8.939 ( -4.736 10.057 0.000) 11.117 9.088 ( 7.945 8.151 0.000) 11.383 9.603 ( 0.573 -8.852 0.000) 8.871 9.935 ( -1.720 -3.053 0.000) 3.505 10.075 ( -2.468 2.905 0.000) 3.811 10.099 ( 1.029 9.996 0.000) 10.049 10.321 ( -2.215 -4.418 0.000) 4.942 10.392 ( 0.967 -7.456 0.000) 7.518 10.554 ( -9.397 5.409 0.000) 10.843 10.694 ( -2.021 4.013 0.000) 4.493 11.153 ( -14.967 3.412 0.000) 15.351 11.474 ( -12.274 5.429 0.000) 13.421 12.326 ( -0.272 0.644 0.000) 0.699 12.414 ( 0.473 -4.477 0.000) 4.502 12.515 ( 0.670 1.600 0.000) 1.735 12.655 ( -13.228 -12.391 0.000) 18.125 13.973 ( -6.462 2.924 0.000) 7.093 14.029 ( -5.227 5.734 0.000) 7.759 14.409 ( -1.391 -4.861 0.000) 5.056 14.755 ( 7.911 -14.822 0.000) 16.801 15.318 ( -0.615 3.363 0.000) 3.419 15.726 ( 9.417 11.601 0.000) 14.941 15.941 ( 0.445 -10.337 0.000) 10.347 16.125 ( 6.366 -2.180 0.000) 6.729 18.583 ( 10.708 4.961 0.000) 11.802 18.766 ( 5.604 -1.261 0.000) 5.744 18.825 ( 6.848 2.213 0.000) 7.197 19.048 ( 0.175 0.165 0.000) 0.241 19.063 ( 0.154 -0.160 0.000) 0.222 19.194 ( 5.467 -6.957 0.000) 8.848 19.579 ( -0.139 0.215 0.000) 0.256 19.600 ( 0.226 -0.257 0.000) 0.343 19.666 ( -0.072 0.080 0.000) 0.108 19.673 ( -0.212 -0.061 0.000) 0.221 20.391 ( 0.253 0.207 0.000) 0.326 20.420 ( -0.458 -0.431 0.000) 0.629 20.543 ( -6.283 1.776 0.000) 6.529 20.681 ( 1.053 2.751 0.000) 2.945 20.939 ( -2.379 -2.192 0.000) 3.235 21.129 ( -2.519 -1.773 0.000) 3.080 24.301 ( -1.191 1.651 0.000) 2.036 24.424 ( -5.311 -1.156 0.000) 5.435 24.463 ( -0.638 4.583 0.000) 4.627 24.960 ( -8.391 -5.983 0.000) 10.306 25.064 ( 1.077 3.482 0.000) 3.645 25.257 ( 3.684 2.437 0.000) 4.417 25.377 ( 3.818 -3.120 0.000) 4.930 25.556 ( 0.494 -2.976 0.000) 3.016 26.362 ( 2.291 0.918 0.000) 2.469 26.471 ( 2.406 -1.978 0.000) 3.115 26.619 ( -2.036 2.262 0.000) 3.043 26.756 ( -2.902 -1.296 0.000) 3.178 30.109 ( -1.905 1.185 0.000) 2.244 30.150 ( -1.419 2.013 0.000) 2.463 30.266 ( 0.200 -1.992 0.000) 2.002 30.301 ( 0.717 -1.626 0.000) 1.777 35.772 ( 6.841 2.882 0.000) 7.423 36.208 ( 13.547 -7.221 0.000) 15.351 36.503 ( 15.628 -2.321 0.000) 15.799 37.163 ( 11.058 -25.612 0.000) 27.897 38.859 ( 0.857 6.151 0.000) 6.211 38.926 ( 0.315 9.685 0.000) 9.690 39.218 ( -0.423 1.977 0.000) 2.021 39.261 ( -1.749 3.784 0.000) 4.169 39.389 ( 1.358 -4.944 0.000) 5.127 39.581 ( -0.309 4.885 0.000) 4.895 39.815 ( 5.283 -3.694 0.000) 6.447 40.459 ( 12.289 -29.846 0.000) 32.277 41.732 ( -0.079 14.737 0.000) 14.737 42.590 ( -13.730 33.194 0.000) 35.922 43.090 ( -13.643 4.597 0.000) 14.397 44.222 ( -16.224 -5.830 0.000) 17.239 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 12.336 3.229 0.000) 12.751 1.470 ( 0.419 -7.235 0.000) 7.247 1.639 ( 3.081 5.568 0.000) 6.364 1.848 ( 5.866 8.841 0.000) 10.610 2.007 ( 16.402 5.090 0.000) 17.173 2.046 ( 2.476 3.539 0.000) 4.319 2.141 ( -8.506 -6.330 0.000) 10.603 2.304 ( -11.127 1.534 0.000) 11.232 2.323 ( -15.852 7.048 0.000) 17.348 2.567 ( 3.817 -1.884 0.000) 4.257 2.577 ( 0.880 -7.374 0.000) 7.426 2.860 ( 1.507 8.257 0.000) 8.394 3.087 ( 4.739 -10.332 0.000) 11.367 3.221 ( 7.433 3.706 0.000) 8.306 3.254 ( 5.751 3.154 0.000) 6.560 3.300 ( 7.602 0.412 0.000) 7.614 3.470 ( 4.980 -0.315 0.000) 4.990 3.559 ( -4.254 -0.328 0.000) 4.266 3.882 ( 14.109 2.960 0.000) 14.416 4.150 ( -7.563 9.556 0.000) 12.186 4.590 ( 1.015 -8.965 0.000) 9.022 4.797 ( -11.893 -3.619 0.000) 12.432 5.082 ( 4.493 8.202 0.000) 9.352 5.412 ( -3.827 -1.850 0.000) 4.251 5.506 ( 1.119 4.718 0.000) 4.849 5.666 ( -2.263 -0.052 0.000) 2.263 5.683 ( 10.795 -4.610 0.000) 11.738 5.819 ( 14.836 2.495 0.000) 15.044 5.920 ( 4.310 -9.205 0.000) 10.164 6.027 ( 4.482 0.078 0.000) 4.483 6.076 ( 3.477 2.862 0.000) 4.503 6.163 ( -4.317 -1.944 0.000) 4.735 6.164 ( -13.150 -17.669 0.000) 22.026 6.292 ( -5.175 -20.784 0.000) 21.418 6.332 ( -1.657 0.719 0.000) 1.806 6.472 ( -2.193 -1.349 0.000) 2.575 6.619 ( -1.756 -0.516 0.000) 1.830 6.771 ( -5.550 -5.934 0.000) 8.125 6.829 ( 5.170 3.641 0.000) 6.323 6.858 ( 3.596 4.167 0.000) 5.504 7.066 ( 5.119 2.055 0.000) 5.516 7.155 ( -1.402 -2.558 0.000) 2.917 7.302 ( 0.934 -2.459 0.000) 2.631 7.305 ( 13.652 11.419 0.000) 17.798 7.423 ( 5.270 -4.290 0.000) 6.795 7.455 ( 6.359 8.190 0.000) 10.369 7.526 ( -0.968 2.102 0.000) 2.314 7.608 ( -3.364 -2.909 0.000) 4.447 7.641 ( -9.209 15.634 0.000) 18.145 7.774 ( 0.590 5.744 0.000) 5.774 7.888 ( -6.057 9.479 0.000) 11.249 8.002 ( -0.338 10.377 0.000) 10.382 8.033 ( -6.483 1.737 0.000) 6.712 8.125 ( 9.186 2.808 0.000) 9.605 8.322 ( -0.505 -4.398 0.000) 4.427 8.326 ( -1.483 -0.597 0.000) 1.598 8.409 ( -0.071 -0.630 0.000) 0.634 8.497 ( 0.647 -2.668 0.000) 2.746 8.583 ( 0.637 2.142 0.000) 2.235 8.707 ( -0.112 -0.997 0.000) 1.004 8.890 ( -0.540 4.929 0.000) 4.958 9.303 ( 13.105 1.180 0.000) 13.158 9.563 ( -4.148 -11.513 0.000) 12.237 9.766 ( -12.922 -6.956 0.000) 14.675 10.004 ( -1.941 5.212 0.000) 5.562 10.141 ( 2.185 10.926 0.000) 11.142 10.246 ( -1.777 -1.177 0.000) 2.132 10.410 ( -2.214 4.823 0.000) 5.307 10.482 ( 2.483 -8.535 0.000) 8.889 10.738 ( 1.468 -0.647 0.000) 1.604 10.896 ( -6.331 -2.002 0.000) 6.641 11.191 ( -12.369 -0.864 0.000) 12.400 12.343 ( 1.790 -1.407 0.000) 2.277 12.392 ( -2.502 -4.977 0.000) 5.571 12.477 ( -1.907 -3.276 0.000) 3.791 12.548 ( -0.990 -0.536 0.000) 1.126 13.883 ( -2.382 4.435 0.000) 5.034 13.974 ( -1.156 7.082 0.000) 7.176 14.394 ( -0.229 -7.163 0.000) 7.167 14.869 ( 3.248 -18.281 0.000) 18.568 15.332 ( 1.077 2.138 0.000) 2.394 15.883 ( 5.054 13.207 0.000) 14.141 15.939 ( -0.353 -12.635 0.000) 12.640 16.223 ( 2.854 0.176 0.000) 2.859 18.773 ( 7.812 3.882 0.000) 8.724 18.838 ( 1.474 -0.886 0.000) 1.720 18.885 ( -0.593 2.343 0.000) 2.417 19.051 ( 0.081 0.161 0.000) 0.180 19.065 ( 0.066 -0.154 0.000) 0.168 19.251 ( 1.140 -4.310 0.000) 4.458 19.577 ( -0.054 0.266 0.000) 0.271 19.604 ( 0.083 -0.319 0.000) 0.329 19.666 ( 0.008 0.043 0.000) 0.044 19.669 ( -0.135 -0.028 0.000) 0.138 20.399 ( 0.496 0.033 0.000) 0.497 20.410 ( -0.575 -0.211 0.000) 0.613 20.433 ( -3.532 3.503 0.000) 4.975 20.716 ( 1.510 -2.562 0.000) 2.973 20.880 ( -2.312 4.050 0.000) 4.663 21.096 ( -0.951 0.579 0.000) 1.114 24.289 ( -0.025 0.938 0.000) 0.938 24.339 ( -2.726 -0.232 0.000) 2.736 24.467 ( 0.605 2.621 0.000) 2.690 24.815 ( -4.846 -5.636 0.000) 7.433 25.086 ( 0.722 3.569 0.000) 3.641 25.317 ( 1.878 4.017 0.000) 4.434 25.430 ( 1.290 -5.131 0.000) 5.290 25.572 ( 0.693 -1.394 0.000) 1.557 26.405 ( 1.603 0.881 0.000) 1.829 26.507 ( 0.769 -2.025 0.000) 2.166 26.591 ( -0.379 2.097 0.000) 2.131 26.702 ( -2.097 -1.022 0.000) 2.333 30.078 ( -0.951 1.174 0.000) 1.511 30.130 ( -0.592 2.892 0.000) 2.952 30.267 ( -0.002 -2.869 0.000) 2.869 30.313 ( 0.377 -1.467 0.000) 1.515 35.878 ( 3.193 3.046 0.000) 4.412 36.407 ( 5.724 -8.298 0.000) 10.080 36.758 ( 8.443 -3.563 0.000) 9.164 37.241 ( -0.141 -12.762 0.000) 12.762 38.872 ( 0.372 6.397 0.000) 6.408 38.932 ( 0.227 10.621 0.000) 10.624 39.206 ( -0.433 8.204 0.000) 8.216 39.244 ( -0.355 -1.977 0.000) 2.009 39.414 ( 0.878 -5.836 0.000) 5.902 39.575 ( -0.265 6.110 0.000) 6.116 39.899 ( 2.611 -4.741 0.000) 5.413 40.613 ( 3.754 -28.816 0.000) 29.059 41.730 ( -0.070 14.479 0.000) 14.479 42.404 ( -4.615 38.771 0.000) 39.045 42.951 ( -2.905 -11.721 0.000) 12.076 43.976 ( -7.292 -8.258 0.000) 11.017 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 13.387 0.000) 13.387 0.795 ( 0.000 -12.744 0.000) 12.744 1.563 ( 0.000 33.506 0.000) 33.506 1.733 ( 0.000 15.940 0.000) 15.940 2.064 ( 0.000 -14.381 0.000) 14.381 2.066 ( 0.000 1.210 0.000) 1.210 2.200 ( 0.000 16.544 0.000) 16.544 2.297 ( 0.000 7.121 0.000) 7.121 2.355 ( 0.000 7.215 0.000) 7.215 2.436 ( 0.000 5.373 0.000) 5.373 2.481 ( 0.000 -5.024 0.000) 5.024 2.659 ( 0.000 -5.440 0.000) 5.440 2.684 ( 0.000 0.814 0.000) 0.814 2.705 ( 0.000 -2.175 0.000) 2.175 2.720 ( 0.000 -5.060 0.000) 5.060 2.770 ( 0.000 -7.069 0.000) 7.069 3.602 ( 0.000 4.509 0.000) 4.509 3.627 ( 0.000 2.816 0.000) 2.816 4.058 ( 0.000 1.508 0.000) 1.508 4.197 ( 0.000 -11.151 0.000) 11.151 4.417 ( 0.000 9.855 0.000) 9.855 4.548 ( 0.000 -3.875 0.000) 3.875 5.180 ( 0.000 5.228 0.000) 5.228 5.210 ( 0.000 2.909 0.000) 2.909 5.447 ( 0.000 0.486 0.000) 0.486 5.479 ( 0.000 -4.952 0.000) 4.952 5.609 ( 0.000 21.872 0.000) 21.872 5.861 ( 0.000 -1.356 0.000) 1.356 5.882 ( 0.000 -2.071 0.000) 2.071 5.943 ( 0.000 -5.830 0.000) 5.830 6.178 ( 0.000 5.660 0.000) 5.660 6.206 ( 0.000 9.225 0.000) 9.225 6.275 ( 0.000 -3.558 0.000) 3.558 6.453 ( 0.000 -12.285 0.000) 12.285 6.517 ( 0.000 3.814 0.000) 3.814 6.603 ( 0.000 -3.322 0.000) 3.322 6.768 ( 0.000 5.653 0.000) 5.653 6.834 ( 0.000 0.712 0.000) 0.712 6.850 ( 0.000 0.537 0.000) 0.537 6.858 ( 0.000 1.481 0.000) 1.481 6.873 ( 0.000 0.941 0.000) 0.941 6.907 ( 0.000 -4.418 0.000) 4.418 6.930 ( 0.000 -6.078 0.000) 6.078 6.967 ( 0.000 -12.797 0.000) 12.797 7.094 ( 0.000 5.696 0.000) 5.696 7.391 ( 0.000 -19.394 0.000) 19.394 7.424 ( 0.000 -0.652 0.000) 0.652 7.466 ( 0.000 -9.355 0.000) 9.355 7.604 ( 0.000 -0.579 0.000) 0.579 7.683 ( 0.000 -11.168 0.000) 11.168 7.808 ( 0.000 3.792 0.000) 3.792 7.869 ( 0.000 -1.829 0.000) 1.829 8.090 ( 0.000 7.375 0.000) 7.375 8.206 ( 0.000 -4.463 0.000) 4.463 8.220 ( 0.000 8.146 0.000) 8.146 8.354 ( 0.000 -4.299 0.000) 4.299 8.380 ( 0.000 0.173 0.000) 0.173 8.401 ( 0.000 -2.493 0.000) 2.493 8.582 ( 0.000 3.817 0.000) 3.817 8.659 ( 0.000 -3.332 0.000) 3.332 9.127 ( 0.000 13.784 0.000) 13.784 9.322 ( 0.000 3.468 0.000) 3.468 9.371 ( 0.000 -6.889 0.000) 6.889 9.441 ( 0.000 -11.058 0.000) 11.058 10.227 ( 0.000 10.386 0.000) 10.386 10.335 ( 0.000 3.504 0.000) 3.504 10.476 ( 0.000 4.198 0.000) 4.198 10.598 ( 0.000 -5.518 0.000) 5.518 10.971 ( 0.000 9.444 0.000) 9.444 11.120 ( 0.000 -3.548 0.000) 3.548 11.306 ( 0.000 9.932 0.000) 9.932 11.416 ( 0.000 -0.825 0.000) 0.825 12.357 ( 0.000 1.449 0.000) 1.449 12.397 ( 0.000 -2.452 0.000) 2.452 12.671 ( 0.000 10.649 0.000) 10.649 12.962 ( 0.000 -16.444 0.000) 16.444 14.209 ( 0.000 0.386 0.000) 0.386 14.245 ( 0.000 -3.189 0.000) 3.189 14.476 ( 0.000 3.554 0.000) 3.554 14.575 ( 0.000 -5.532 0.000) 5.532 15.594 ( 0.000 8.704 0.000) 8.704 15.729 ( 0.000 -2.876 0.000) 2.876 15.760 ( 0.000 1.821 0.000) 1.821 15.856 ( 0.000 -8.427 0.000) 8.427 18.360 ( 0.000 4.605 0.000) 4.605 18.455 ( 0.000 -4.463 0.000) 4.463 18.517 ( 0.000 3.026 0.000) 3.026 18.572 ( 0.000 -2.112 0.000) 2.112 19.048 ( 0.000 0.269 0.000) 0.269 19.054 ( 0.000 -0.267 0.000) 0.267 19.587 ( 0.000 0.121 0.000) 0.121 19.590 ( 0.000 -0.131 0.000) 0.131 19.672 ( 0.000 0.170 0.000) 0.170 19.675 ( 0.000 -0.154 0.000) 0.154 20.398 ( 0.000 0.646 0.000) 0.646 20.414 ( 0.000 -0.841 0.000) 0.841 20.623 ( 0.000 2.346 0.000) 2.346 20.676 ( 0.000 -2.675 0.000) 2.675 20.986 ( 0.000 7.416 0.000) 7.416 21.135 ( 0.000 -6.727 0.000) 6.727 24.419 ( 0.000 4.185 0.000) 4.185 24.511 ( 0.000 -4.623 0.000) 4.623 24.705 ( 0.000 13.101 0.000) 13.101 24.948 ( 0.000 -8.576 0.000) 8.576 25.130 ( 0.000 -0.381 0.000) 0.381 25.140 ( 0.000 -1.200 0.000) 1.200 25.343 ( 0.000 2.815 0.000) 2.815 25.427 ( 0.000 -6.273 0.000) 6.273 26.337 ( 0.000 1.624 0.000) 1.624 26.375 ( 0.000 -1.979 0.000) 1.979 26.721 ( 0.000 2.850 0.000) 2.850 26.778 ( 0.000 -2.583 0.000) 2.583 30.184 ( 0.000 2.059 0.000) 2.059 30.211 ( 0.000 2.147 0.000) 2.147 30.227 ( 0.000 -2.027 0.000) 2.027 30.256 ( 0.000 -2.035 0.000) 2.035 35.696 ( 0.000 6.150 0.000) 6.150 35.833 ( 0.000 -6.947 0.000) 6.947 35.872 ( 0.000 5.965 0.000) 5.965 36.001 ( 0.000 -6.224 0.000) 6.224 38.989 ( 0.000 8.626 0.000) 8.626 39.037 ( 0.000 5.864 0.000) 5.864 39.133 ( 0.000 -4.782 0.000) 4.782 39.180 ( 0.000 -8.120 0.000) 8.120 39.525 ( 0.000 3.559 0.000) 3.559 39.609 ( 0.000 -4.167 0.000) 4.167 39.687 ( 0.000 4.460 0.000) 4.460 39.777 ( 0.000 -4.290 0.000) 4.290 42.123 ( 0.000 21.863 0.000) 21.863 42.562 ( 0.000 -19.726 0.000) 19.726 44.611 ( 0.000 1.172 0.000) 1.172 44.636 ( 0.000 -1.151 0.000) 1.151 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 10.902 11.564 0.000) 15.893 0.888 ( 8.935 -12.052 0.000) 15.003 1.625 ( 8.065 27.846 0.000) 28.990 1.722 ( 0.111 16.359 0.000) 16.360 2.082 ( 1.362 -17.716 0.000) 17.769 2.104 ( 1.295 -14.474 0.000) 14.532 2.257 ( 3.690 12.806 0.000) 13.327 2.282 ( -7.068 7.377 0.000) 10.217 2.421 ( -5.882 -5.828 0.000) 8.281 2.435 ( 5.299 -2.129 0.000) 5.711 2.573 ( 18.591 18.358 0.000) 26.128 2.708 ( 8.488 5.861 0.000) 10.315 2.749 ( 7.555 4.714 0.000) 8.905 2.812 ( 10.747 -3.224 0.000) 11.220 2.884 ( 10.435 -8.254 0.000) 13.305 2.888 ( 11.477 -5.988 0.000) 12.945 3.465 ( -13.794 10.381 0.000) 17.264 3.617 ( -0.491 -0.420 0.000) 0.646 3.891 ( -15.164 -3.619 0.000) 15.589 3.962 ( -3.727 -6.511 0.000) 7.502 4.736 ( 18.704 7.788 0.000) 20.261 4.835 ( 20.942 -1.818 0.000) 21.021 5.103 ( -4.946 7.601 0.000) 9.068 5.237 ( -1.003 -3.246 0.000) 3.398 5.472 ( 0.742 -0.972 0.000) 1.223 5.509 ( 2.494 -2.683 0.000) 3.663 5.647 ( 2.041 18.802 0.000) 18.912 5.772 ( -4.670 3.275 0.000) 5.704 5.860 ( -2.748 -5.932 0.000) 6.538 5.943 ( -0.444 -4.697 0.000) 4.718 6.098 ( -6.714 9.478 0.000) 11.615 6.138 ( -2.273 4.800 0.000) 5.311 6.206 ( -4.839 -1.458 0.000) 5.054 6.353 ( -9.483 -14.119 0.000) 17.008 6.492 ( -2.944 3.205 0.000) 4.352 6.564 ( -2.921 -2.340 0.000) 3.743 6.730 ( -1.738 3.609 0.000) 4.006 6.844 ( -0.969 2.898 0.000) 3.056 6.849 ( -1.456 -6.270 0.000) 6.436 6.861 ( -1.298 0.177 0.000) 1.310 6.928 ( 3.788 0.642 0.000) 3.842 6.992 ( 10.629 1.083 0.000) 10.684 7.011 ( 5.302 -6.779 0.000) 8.606 7.052 ( 8.474 -5.535 0.000) 10.122 7.128 ( 3.142 4.455 0.000) 5.452 7.343 ( 1.601 -11.820 0.000) 11.928 7.543 ( 8.167 -7.428 0.000) 11.040 7.572 ( 7.148 -5.796 0.000) 9.203 7.636 ( 4.361 0.827 0.000) 4.439 7.744 ( -5.745 3.740 0.000) 6.855 7.750 ( 7.365 -12.213 0.000) 14.262 7.806 ( -5.913 -2.172 0.000) 6.299 8.114 ( 1.327 5.855 0.000) 6.004 8.201 ( -1.514 -2.942 0.000) 3.309 8.222 ( -0.055 8.442 0.000) 8.443 8.365 ( 0.020 -5.304 0.000) 5.304 8.379 ( 0.224 0.244 0.000) 0.331 8.397 ( 0.137 -1.579 0.000) 1.585 8.594 ( 1.003 3.496 0.000) 3.637 8.663 ( 0.405 -3.045 0.000) 3.072 9.193 ( 5.036 11.573 0.000) 12.622 9.229 ( -3.361 5.454 0.000) 6.407 9.423 ( 2.577 -3.200 0.000) 4.109 9.580 ( 8.906 -14.687 0.000) 17.176 10.199 ( -2.173 6.650 0.000) 6.996 10.288 ( -3.727 -0.524 0.000) 3.764 10.443 ( -3.499 7.048 0.000) 7.869 10.514 ( -5.734 3.939 0.000) 6.957 10.897 ( -6.671 8.395 0.000) 10.723 10.950 ( -11.511 3.141 0.000) 11.932 11.379 ( -6.794 -1.774 0.000) 7.021 11.419 ( 4.922 -5.995 0.000) 7.757 12.364 ( 0.597 0.912 0.000) 1.090 12.390 ( -0.693 -1.668 0.000) 1.806 12.606 ( -6.198 8.160 0.000) 10.247 12.800 ( -15.716 -10.294 0.000) 18.787 14.156 ( -3.933 3.471 0.000) 5.246 14.234 ( -3.453 -2.598 0.000) 4.321 14.401 ( -6.380 0.452 0.000) 6.396 14.460 ( -4.093 -4.803 0.000) 6.310 15.558 ( -5.990 10.869 0.000) 12.411 15.739 ( 5.264 5.266 0.000) 7.445 15.784 ( -4.620 -8.322 0.000) 9.518 15.854 ( 8.680 -7.465 0.000) 11.448 18.504 ( 8.495 5.028 0.000) 9.871 18.587 ( 8.943 -3.007 0.000) 9.435 18.671 ( 11.573 1.435 0.000) 11.661 18.743 ( 18.990 -6.149 0.000) 19.961 19.050 ( 0.133 0.269 0.000) 0.299 19.055 ( 0.130 -0.266 0.000) 0.297 19.586 ( -0.047 0.226 0.000) 0.231 19.591 ( 0.124 -0.241 0.000) 0.271 19.671 ( -0.102 0.158 0.000) 0.188 19.674 ( -0.127 -0.143 0.000) 0.191 20.398 ( -0.015 0.609 0.000) 0.609 20.413 ( -0.125 -0.786 0.000) 0.796 20.632 ( 0.347 2.648 0.000) 2.670 20.695 ( 0.768 -3.259 0.000) 3.348 20.966 ( -1.141 6.403 0.000) 6.504 21.101 ( -2.776 -6.074 0.000) 6.678 24.395 ( -2.272 3.612 0.000) 4.267 24.471 ( -3.676 -3.625 0.000) 5.163 24.674 ( -2.981 11.919 0.000) 12.286 24.915 ( -3.945 -10.267 0.000) 10.998 25.118 ( 0.286 2.469 0.000) 2.486 25.175 ( 2.641 -2.761 0.000) 3.821 25.349 ( 0.853 3.414 0.000) 3.519 25.437 ( 1.442 -5.369 0.000) 5.559 26.352 ( 1.411 1.642 0.000) 2.165 26.390 ( 1.459 -2.019 0.000) 2.491 26.707 ( -1.435 2.791 0.000) 3.138 26.762 ( -1.606 -2.492 0.000) 2.965 30.175 ( -0.959 2.144 0.000) 2.348 30.207 ( -0.462 1.580 0.000) 1.646 30.225 ( -0.242 -1.724 0.000) 1.741 30.254 ( 0.021 -2.025 0.000) 2.025 35.741 ( 4.198 5.070 0.000) 6.583 35.835 ( 7.928 -3.957 0.000) 8.860 36.171 ( 16.643 0.195 0.000) 16.644 36.272 ( 26.279 -10.116 0.000) 28.158 39.000 ( 1.027 8.841 0.000) 8.900 39.048 ( 1.066 5.664 0.000) 5.763 39.145 ( 0.997 -4.449 0.000) 4.559 39.194 ( 1.320 -8.340 0.000) 8.444 39.499 ( -1.721 6.569 0.000) 6.791 39.623 ( 1.594 -4.595 0.000) 4.864 39.710 ( 2.175 5.410 0.000) 5.830 39.859 ( 7.067 -9.092 0.000) 11.516 42.123 ( -0.017 21.777 0.000) 21.777 42.556 ( -0.439 -19.129 0.000) 19.134 44.232 ( -32.417 14.955 0.000) 35.701 44.440 ( -18.875 -6.705 0.000) 20.030 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.500 9.016 0.000) 17.074 1.106 ( 12.342 -10.740 0.000) 16.361 1.768 ( 4.093 15.064 0.000) 15.610 1.866 ( 14.694 15.471 0.000) 21.337 2.085 ( -4.413 -8.965 0.000) 9.993 2.110 ( -0.257 -4.158 0.000) 4.166 2.125 ( -6.042 2.022 0.000) 6.371 2.299 ( -3.721 -9.336 0.000) 10.050 2.350 ( 6.351 0.774 0.000) 6.398 2.439 ( -2.425 -4.361 0.000) 4.990 2.845 ( -7.637 6.367 0.000) 9.942 2.927 ( 12.729 8.452 0.000) 15.280 2.939 ( -3.343 -2.296 0.000) 4.056 3.020 ( 18.987 7.529 0.000) 20.426 3.062 ( 13.429 -1.573 0.000) 13.521 3.136 ( 12.466 -1.415 0.000) 12.546 3.341 ( 5.801 5.119 0.000) 7.736 3.531 ( -5.149 -12.375 0.000) 13.403 3.790 ( 5.719 10.768 0.000) 12.193 4.005 ( 7.115 -9.598 0.000) 11.947 4.859 ( -11.843 11.371 0.000) 16.418 5.018 ( -9.407 -2.940 0.000) 9.856 5.128 ( 5.157 5.177 0.000) 7.307 5.269 ( 13.182 -7.119 0.000) 14.981 5.458 ( 1.080 3.379 0.000) 3.548 5.543 ( 3.571 -4.179 0.000) 5.497 5.640 ( -1.781 11.863 0.000) 11.996 5.833 ( 4.519 1.187 0.000) 4.672 5.847 ( 7.172 0.380 0.000) 7.182 5.862 ( -6.914 -1.580 0.000) 7.092 6.029 ( -3.569 -8.457 0.000) 9.179 6.111 ( -0.807 2.736 0.000) 2.852 6.132 ( -12.591 -12.799 0.000) 17.954 6.144 ( -1.482 -0.844 0.000) 1.705 6.416 ( -4.245 3.027 0.000) 5.214 6.497 ( -3.947 -3.394 0.000) 5.206 6.685 ( -3.151 2.272 0.000) 3.885 6.779 ( -5.651 -6.839 0.000) 8.872 6.835 ( 2.034 4.806 0.000) 5.219 6.879 ( 2.183 1.931 0.000) 2.914 7.020 ( 3.490 1.003 0.000) 3.631 7.069 ( 1.066 -4.095 0.000) 4.231 7.179 ( 7.642 0.856 0.000) 7.690 7.228 ( 7.871 -3.312 0.000) 8.539 7.284 ( 15.100 13.543 0.000) 20.283 7.463 ( 10.182 4.345 0.000) 11.071 7.627 ( -5.117 2.737 0.000) 5.803 7.672 ( -6.725 -1.817 0.000) 6.967 7.685 ( 6.229 -2.362 0.000) 6.662 7.737 ( 10.199 -3.266 0.000) 10.710 7.848 ( 15.917 -7.939 0.000) 17.787 7.954 ( 12.470 -13.151 0.000) 18.123 8.104 ( -3.019 3.877 0.000) 4.914 8.133 ( -3.767 0.178 0.000) 3.771 8.210 ( -1.063 8.248 0.000) 8.316 8.335 ( -2.259 -3.530 0.000) 4.191 8.392 ( 0.686 -0.156 0.000) 0.704 8.417 ( 1.334 -2.449 0.000) 2.789 8.615 ( 1.060 2.910 0.000) 3.097 8.672 ( 0.393 -2.443 0.000) 2.475 9.162 ( -3.684 10.691 0.000) 11.308 9.296 ( 3.638 6.326 0.000) 7.298 9.433 ( -2.748 -1.984 0.000) 3.389 9.674 ( -0.642 -15.927 0.000) 15.940 10.155 ( -2.327 4.416 0.000) 4.992 10.234 ( -1.301 -3.041 0.000) 3.307 10.386 ( -1.778 5.576 0.000) 5.853 10.419 ( -3.721 6.377 0.000) 7.383 10.711 ( -10.659 9.384 0.000) 14.201 10.789 ( -4.590 6.355 0.000) 7.839 11.105 ( -19.897 -1.477 0.000) 19.952 11.363 ( -12.018 -17.030 0.000) 20.843 12.369 ( -1.344 1.119 0.000) 1.749 12.379 ( 0.791 1.343 0.000) 1.559 12.462 ( -8.834 -2.213 0.000) 9.107 12.517 ( -6.304 -2.575 0.000) 6.810 14.078 ( -3.814 7.032 0.000) 8.000 14.168 ( -1.154 4.767 0.000) 4.905 14.296 ( -4.683 -2.847 0.000) 5.480 14.460 ( 1.862 -13.099 0.000) 13.231 15.465 ( -2.340 10.024 0.000) 10.293 15.698 ( -3.065 -12.190 0.000) 12.570 15.920 ( 10.997 7.358 0.000) 13.231 16.047 ( 9.645 -5.171 0.000) 10.944 18.676 ( 8.582 3.636 0.000) 9.320 18.732 ( 6.191 -2.083 0.000) 6.532 18.900 ( 8.960 5.289 0.000) 10.404 19.036 ( 9.480 -7.716 0.000) 12.224 19.053 ( 0.169 0.264 0.000) 0.314 19.058 ( 0.161 -0.261 0.000) 0.307 19.585 ( -0.034 0.370 0.000) 0.372 19.594 ( 0.106 -0.396 0.000) 0.410 19.669 ( -0.118 0.120 0.000) 0.168 19.671 ( -0.171 -0.108 0.000) 0.202 20.398 ( 0.064 0.455 0.000) 0.459 20.409 ( -0.210 -0.593 0.000) 0.629 20.600 ( -3.967 3.582 0.000) 5.344 20.675 ( -2.321 -3.133 0.000) 3.899 20.970 ( 1.207 4.658 0.000) 4.812 21.068 ( 0.026 -4.184 0.000) 4.184 24.345 ( -2.414 2.355 0.000) 3.372 24.390 ( -4.053 -2.015 0.000) 4.526 24.603 ( -3.783 8.770 0.000) 9.551 24.797 ( -7.205 -9.454 0.000) 11.886 25.145 ( 2.080 4.400 0.000) 4.867 25.240 ( 3.686 -4.388 0.000) 5.731 25.385 ( 2.449 4.133 0.000) 4.804 25.478 ( 2.410 -4.458 0.000) 5.068 26.389 ( 2.273 1.655 0.000) 2.812 26.428 ( 2.256 -2.081 0.000) 3.069 26.670 ( -2.173 2.584 0.000) 3.376 26.720 ( -2.564 -2.215 0.000) 3.388 30.148 ( -1.622 2.577 0.000) 3.045 30.197 ( -0.449 0.876 0.000) 0.984 30.215 ( -0.720 -1.163 0.000) 1.368 30.259 ( 0.434 -2.436 0.000) 2.474 35.868 ( 7.608 6.639 0.000) 10.097 36.034 ( 10.632 -9.027 0.000) 13.947 36.522 ( 17.061 5.371 0.000) 17.887 36.736 ( 18.427 -15.595 0.000) 24.140 39.024 ( 1.247 9.322 0.000) 9.405 39.071 ( 1.037 5.343 0.000) 5.443 39.164 ( 0.763 -4.031 0.000) 4.103 39.225 ( 1.631 -8.975 0.000) 9.122 39.479 ( -0.188 11.455 0.000) 11.457 39.673 ( 3.334 -4.663 0.000) 5.733 39.756 ( 2.042 6.440 0.000) 6.756 40.005 ( 6.981 -16.389 0.000) 17.814 42.123 ( 0.058 21.837 0.000) 21.837 42.553 ( 0.415 -18.318 0.000) 18.323 43.588 ( -29.357 27.163 0.000) 39.996 44.015 ( -21.655 -15.003 0.000) 26.344 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 9.954 6.382 0.000) 11.824 1.309 ( 6.275 -8.029 0.000) 10.190 1.788 ( -2.592 8.556 0.000) 8.940 1.970 ( -6.197 -8.277 0.000) 10.340 2.075 ( 4.090 11.523 0.000) 12.227 2.096 ( 2.437 3.592 0.000) 4.341 2.127 ( 6.471 1.689 0.000) 6.688 2.328 ( 3.043 -11.276 0.000) 11.680 2.363 ( -3.053 5.070 0.000) 5.918 2.489 ( 4.360 -5.774 0.000) 7.235 2.568 ( -11.949 11.420 0.000) 16.528 2.837 ( -6.163 -13.513 0.000) 14.853 3.064 ( 2.606 10.687 0.000) 11.001 3.244 ( 5.015 -5.744 0.000) 7.625 3.311 ( 7.501 3.212 0.000) 8.160 3.324 ( 6.177 2.150 0.000) 6.541 3.473 ( 4.392 0.877 0.000) 4.479 3.511 ( 0.542 -2.779 0.000) 2.831 4.038 ( 18.147 10.164 0.000) 20.800 4.225 ( 12.478 -5.523 0.000) 13.646 4.519 ( -17.558 5.126 0.000) 18.291 4.677 ( -19.447 -7.711 0.000) 20.920 5.241 ( 3.382 6.773 0.000) 7.571 5.350 ( -0.785 -4.022 0.000) 4.097 5.588 ( 7.497 3.300 0.000) 8.191 5.644 ( 2.698 2.191 0.000) 3.476 5.650 ( 2.497 -2.275 0.000) 3.378 5.752 ( -2.518 -6.650 0.000) 7.111 5.880 ( -11.455 -7.657 0.000) 13.779 5.931 ( 6.657 7.549 0.000) 10.064 5.931 ( -4.309 -12.141 0.000) 12.883 6.031 ( 6.840 -0.733 0.000) 6.879 6.102 ( -0.145 -0.674 0.000) 0.689 6.120 ( -1.742 -1.711 0.000) 2.442 6.358 ( -1.120 2.269 0.000) 2.531 6.424 ( -2.793 -3.405 0.000) 4.403 6.614 ( -3.190 0.400 0.000) 3.215 6.655 ( -5.279 -4.143 0.000) 6.710 6.880 ( 1.339 2.425 0.000) 2.771 6.918 ( 1.032 0.126 0.000) 1.040 7.057 ( 0.819 -0.569 0.000) 0.997 7.085 ( 0.674 -2.315 0.000) 2.411 7.270 ( 1.919 0.055 0.000) 1.919 7.317 ( 1.273 -4.435 0.000) 4.614 7.571 ( -0.941 1.751 0.000) 1.988 7.590 ( -1.263 -0.272 0.000) 1.292 7.613 ( 12.761 14.261 0.000) 19.137 7.715 ( 12.154 10.990 0.000) 16.386 7.803 ( 5.307 2.200 0.000) 5.745 7.879 ( -0.063 2.977 0.000) 2.977 7.994 ( -1.426 2.946 0.000) 3.272 8.089 ( 4.935 -1.236 0.000) 5.088 8.165 ( 5.095 0.392 0.000) 5.110 8.190 ( -0.702 7.549 0.000) 7.582 8.195 ( 8.668 -6.203 0.000) 10.659 8.296 ( -1.353 -2.833 0.000) 3.140 8.402 ( 0.328 0.370 0.000) 0.495 8.436 ( 0.541 -2.834 0.000) 2.885 8.631 ( 0.446 2.452 0.000) 2.493 8.677 ( 0.133 -1.958 0.000) 1.962 9.063 ( -5.042 11.703 0.000) 12.743 9.311 ( -2.492 -10.947 0.000) 11.227 9.372 ( 0.327 4.862 0.000) 4.873 9.559 ( -8.518 -11.292 0.000) 14.144 10.119 ( -1.097 5.896 0.000) 5.997 10.227 ( 0.252 -3.203 0.000) 3.213 10.357 ( -0.606 1.859 0.000) 1.955 10.382 ( -1.185 6.326 0.000) 6.436 10.568 ( -1.720 6.621 0.000) 6.841 10.725 ( -15.016 -4.138 0.000) 15.575 10.782 ( 3.593 1.737 0.000) 3.991 11.044 ( -15.443 -13.935 0.000) 20.801 12.345 ( -0.645 2.583 0.000) 2.662 12.361 ( -1.029 0.744 0.000) 1.270 12.412 ( 1.134 -1.507 0.000) 1.886 12.483 ( -0.066 -5.532 0.000) 5.533 14.024 ( -1.510 8.755 0.000) 8.885 14.170 ( 0.603 9.775 0.000) 9.793 14.224 ( -2.372 -6.638 0.000) 7.049 14.487 ( 0.661 -17.442 0.000) 17.454 15.454 ( 0.285 8.341 0.000) 8.346 15.663 ( -0.772 -12.251 0.000) 12.275 16.095 ( 5.409 6.977 0.000) 8.828 16.192 ( 4.318 -2.983 0.000) 5.248 18.806 ( 3.965 0.283 0.000) 3.975 18.815 ( 2.134 -0.831 0.000) 2.291 18.999 ( 1.828 7.102 0.000) 7.333 19.055 ( 0.077 0.257 0.000) 0.268 19.061 ( 0.071 -0.253 0.000) 0.263 19.138 ( 2.087 -6.354 0.000) 6.688 19.585 ( -0.014 0.458 0.000) 0.459 19.595 ( 0.038 -0.491 0.000) 0.492 19.667 ( -0.038 0.063 0.000) 0.074 19.668 ( -0.092 -0.054 0.000) 0.107 20.401 ( 0.178 0.145 0.000) 0.230 20.405 ( -0.233 -0.255 0.000) 0.345 20.522 ( -2.643 5.014 0.000) 5.668 20.629 ( -1.699 -5.176 0.000) 5.448 20.995 ( 0.977 5.766 0.000) 5.848 21.081 ( 0.592 -2.376 0.000) 2.448 24.313 ( -0.738 1.175 0.000) 1.387 24.331 ( -1.708 -0.559 0.000) 1.797 24.549 ( -1.425 5.365 0.000) 5.551 24.679 ( -3.744 -7.049 0.000) 7.982 25.179 ( 1.040 5.397 0.000) 5.496 25.299 ( 1.858 -6.098 0.000) 6.375 25.423 ( 1.104 4.912 0.000) 5.034 25.517 ( 1.209 -3.875 0.000) 4.059 26.430 ( 1.501 1.556 0.000) 2.162 26.466 ( 1.257 -1.918 0.000) 2.293 26.634 ( -1.133 2.068 0.000) 2.358 26.673 ( -1.715 -1.748 0.000) 2.448 30.122 ( -0.783 3.064 0.000) 3.162 30.192 ( 0.022 -1.378 0.000) 1.378 30.201 ( -0.591 1.114 0.000) 1.261 30.267 ( 0.234 -2.946 0.000) 2.955 35.987 ( 3.633 7.965 0.000) 8.754 36.194 ( 4.692 -11.411 0.000) 12.338 36.768 ( 7.025 5.332 0.000) 8.820 36.963 ( 5.319 -12.828 0.000) 13.887 39.042 ( 0.539 9.707 0.000) 9.722 39.084 ( 0.319 5.134 0.000) 5.144 39.172 ( 0.168 -3.950 0.000) 3.954 39.249 ( 0.705 -9.593 0.000) 9.619 39.484 ( 0.367 15.151 0.000) 15.155 39.739 ( 2.929 -4.111 0.000) 5.048 39.775 ( -0.269 6.652 0.000) 6.658 40.104 ( 2.711 -20.665 0.000) 20.842 42.124 ( 0.038 22.282 0.000) 22.282 42.574 ( 1.281 -20.071 0.000) 20.112 43.175 ( -11.653 30.982 0.000) 33.101 43.696 ( -9.144 -19.517 0.000) 21.553 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 0.000 0.000 14.595) 14.595 0.375 ( 0.000 0.000 17.851) 17.851 0.999 ( 0.000 0.000 45.651) 45.651 1.430 ( 0.000 0.000 15.935) 15.935 1.502 ( 0.000 0.000 -9.908) 9.908 1.593 ( 0.000 0.000 19.107) 19.107 1.657 ( 0.000 0.000 7.383) 7.383 2.324 ( 0.000 0.000 14.280) 14.280 2.356 ( 0.000 0.000 7.576) 7.576 2.693 ( 0.000 0.000 2.819) 2.819 2.702 ( 0.000 0.000 -1.801) 1.801 2.762 ( 0.000 0.000 7.975) 7.975 2.783 ( 0.000 0.000 11.097) 11.097 2.853 ( 0.000 0.000 -2.262) 2.262 2.955 ( 0.000 0.000 12.441) 12.441 3.231 ( 0.000 0.000 9.511) 9.511 3.398 ( 0.000 0.000 -5.146) 5.146 3.513 ( 0.000 0.000 3.272) 3.272 3.979 ( 0.000 0.000 3.541) 3.541 4.146 ( 0.000 0.000 -1.231) 1.231 4.426 ( 0.000 0.000 -3.863) 3.863 4.893 ( 0.000 0.000 -14.767) 14.767 4.895 ( 0.000 0.000 -0.743) 0.743 4.947 ( 0.000 0.000 -1.972) 1.972 5.215 ( 0.000 0.000 0.634) 0.634 5.229 ( 0.000 0.000 -1.476) 1.476 5.584 ( 0.000 0.000 -16.598) 16.598 5.611 ( 0.000 0.000 -7.428) 7.428 5.777 ( 0.000 0.000 1.083) 1.083 5.916 ( 0.000 0.000 -2.799) 2.799 5.931 ( 0.000 0.000 -1.703) 1.703 6.232 ( 0.000 0.000 -10.903) 10.903 6.240 ( 0.000 0.000 10.068) 10.068 6.491 ( 0.000 0.000 -5.092) 5.092 6.560 ( 0.000 0.000 -11.332) 11.332 6.565 ( 0.000 0.000 -0.425) 0.425 6.596 ( 0.000 0.000 -2.412) 2.412 6.750 ( 0.000 0.000 -2.764) 2.764 6.815 ( 0.000 0.000 3.836) 3.836 6.830 ( 0.000 0.000 1.930) 1.930 6.991 ( 0.000 0.000 -1.792) 1.792 7.002 ( 0.000 0.000 6.949) 6.949 7.087 ( 0.000 0.000 5.521) 5.521 7.337 ( 0.000 0.000 -0.023) 0.023 7.386 ( 0.000 0.000 -1.923) 1.923 7.492 ( 0.000 0.000 -4.754) 4.754 7.575 ( 0.000 0.000 3.543) 3.543 7.599 ( 0.000 0.000 4.226) 4.226 7.712 ( 0.000 0.000 1.391) 1.391 7.743 ( 0.000 0.000 4.353) 4.353 7.804 ( 0.000 0.000 6.920) 6.920 8.171 ( 0.000 0.000 3.910) 3.910 8.276 ( 0.000 0.000 1.642) 1.642 8.369 ( 0.000 0.000 -0.824) 0.824 8.404 ( 0.000 0.000 -0.962) 0.962 8.425 ( 0.000 0.000 -5.235) 5.235 8.546 ( 0.000 0.000 5.151) 5.151 8.659 ( 0.000 0.000 1.137) 1.137 8.698 ( 0.000 0.000 -2.648) 2.648 8.869 ( 0.000 0.000 2.384) 2.384 9.071 ( 0.000 0.000 -0.782) 0.782 9.626 ( 0.000 0.000 3.064) 3.064 9.786 ( 0.000 0.000 0.023) 0.023 9.884 ( 0.000 0.000 -10.866) 10.866 9.930 ( 0.000 0.000 0.207) 0.207 9.931 ( 0.000 0.000 0.333) 0.333 9.933 ( 0.000 0.000 -0.587) 0.587 10.192 ( 0.000 0.000 -2.453) 2.453 10.737 ( 0.000 0.000 0.575) 0.575 10.874 ( 0.000 0.000 -1.370) 1.370 11.043 ( 0.000 0.000 1.882) 1.882 11.373 ( 0.000 0.000 -3.318) 3.318 12.330 ( 0.000 0.000 0.182) 0.182 12.359 ( 0.000 0.000 -0.219) 0.219 12.485 ( 0.000 0.000 0.571) 0.571 12.491 ( 0.000 0.000 0.680) 0.680 14.230 ( 0.000 0.000 0.238) 0.238 14.278 ( 0.000 0.000 -0.425) 0.425 14.369 ( 0.000 0.000 0.228) 0.228 14.433 ( 0.000 0.000 -0.727) 0.727 15.389 ( 0.000 0.000 0.007) 0.007 15.391 ( 0.000 0.000 -0.027) 0.027 15.777 ( 0.000 0.000 1.231) 1.231 16.060 ( 0.000 0.000 -2.576) 2.576 18.256 ( 0.000 0.000 0.720) 0.720 18.417 ( 0.000 0.000 -1.688) 1.688 18.555 ( 0.000 0.000 0.276) 0.276 18.592 ( 0.000 0.000 -0.259) 0.259 19.095 ( 0.000 0.000 3.361) 3.361 19.098 ( 0.000 0.000 3.443) 3.443 19.550 ( 0.000 0.000 -3.172) 3.172 19.558 ( 0.000 0.000 -3.211) 3.211 19.733 ( 0.000 0.000 5.014) 5.014 20.030 ( 0.000 0.000 2.176) 2.176 20.359 ( 0.000 0.000 -2.513) 2.513 20.387 ( 0.000 0.000 -4.514) 4.514 20.619 ( 0.000 0.000 4.414) 4.414 20.752 ( 0.000 0.000 0.159) 0.159 20.788 ( 0.000 0.000 -0.458) 0.458 21.211 ( 0.000 0.000 -4.049) 4.049 24.302 ( 0.000 0.000 -1.580) 1.580 24.362 ( 0.000 0.000 -2.805) 2.805 24.683 ( 0.000 0.000 4.929) 4.929 24.985 ( 0.000 0.000 1.207) 1.207 25.132 ( 0.000 0.000 -0.483) 0.483 25.205 ( 0.000 0.000 0.504) 0.504 25.252 ( 0.000 0.000 -0.274) 0.274 25.560 ( 0.000 0.000 -9.415) 9.415 26.482 ( 0.000 0.000 4.318) 4.318 26.661 ( 0.000 0.000 1.308) 1.308 27.011 ( 0.000 0.000 15.052) 15.052 28.633 ( 0.000 0.000 -10.379) 10.379 30.135 ( 0.000 0.000 0.095) 0.095 30.157 ( 0.000 0.000 -0.227) 0.227 30.267 ( 0.000 0.000 0.159) 0.159 30.299 ( 0.000 0.000 -0.296) 0.296 35.569 ( 0.000 0.000 1.050) 1.050 35.723 ( 0.000 0.000 -1.162) 1.162 35.917 ( 0.000 0.000 1.369) 1.369 36.129 ( 0.000 0.000 -1.675) 1.675 38.731 ( 0.000 0.000 0.329) 0.329 38.771 ( 0.000 0.000 -0.267) 0.267 39.231 ( 0.000 0.000 1.946) 1.946 39.263 ( 0.000 0.000 2.953) 2.953 39.386 ( 0.000 0.000 1.177) 1.177 39.520 ( 0.000 0.000 -2.193) 2.193 39.689 ( 0.000 0.000 -1.329) 1.329 39.845 ( 0.000 0.000 -3.610) 3.610 41.583 ( 0.000 0.000 0.873) 0.873 41.712 ( 0.000 0.000 -0.965) 0.965 43.092 ( 0.000 0.000 8.402) 8.402 44.526 ( 0.000 0.000 -12.456) 12.456 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 34.454 0.000 4.693) 34.772 1.018 ( 8.566 0.000 38.775) 39.710 1.487 ( 60.299 0.000 7.306) 60.740 1.522 ( 4.464 0.000 24.242) 24.649 1.610 ( 3.309 0.000 22.036) 22.283 1.626 ( 11.999 0.000 -9.476) 15.290 2.098 ( 37.651 0.000 -3.521) 37.815 2.257 ( -6.631 0.000 15.024) 16.423 2.493 ( 11.862 0.000 4.055) 12.536 2.651 ( -3.585 0.000 3.403) 4.943 2.687 ( -0.243 0.000 -1.623) 1.641 2.716 ( -4.275 0.000 9.203) 10.148 2.828 ( 5.210 0.000 11.510) 12.634 2.901 ( -2.762 0.000 10.006) 10.380 2.917 ( 4.388 0.000 1.382) 4.601 3.252 ( -21.100 0.000 4.912) 21.664 3.279 ( 3.636 0.000 5.125) 6.283 3.429 ( 2.680 0.000 -3.826) 4.671 3.972 ( -0.556 0.000 3.355) 3.401 4.194 ( 4.487 0.000 1.641) 4.777 4.589 ( -14.185 0.000 -8.593) 16.584 4.668 ( 18.104 0.000 -5.647) 18.965 4.920 ( 3.125 0.000 -1.386) 3.418 5.204 ( 7.780 0.000 -3.769) 8.645 5.277 ( 5.230 0.000 -2.665) 5.870 5.344 ( 14.862 0.000 -4.250) 15.458 5.510 ( -8.087 0.000 -9.089) 12.166 5.629 ( 1.497 0.000 -7.688) 7.833 5.773 ( -2.998 0.000 -0.957) 3.147 5.865 ( 2.517 0.000 -1.764) 3.074 5.939 ( 1.041 0.000 -1.960) 2.220 6.108 ( -12.327 0.000 -6.625) 13.994 6.251 ( 1.071 0.000 6.609) 6.695 6.419 ( -6.636 0.000 -7.050) 9.682 6.482 ( -1.341 0.000 -6.114) 6.259 6.548 ( -3.737 0.000 -4.297) 5.695 6.630 ( -0.274 0.000 -5.764) 5.770 6.784 ( 2.170 0.000 -5.651) 6.053 6.841 ( 1.992 0.000 3.809) 4.299 6.889 ( 1.349 0.000 0.554) 1.459 7.014 ( 2.983 0.000 1.137) 3.192 7.082 ( 5.075 0.000 5.247) 7.300 7.157 ( 5.490 0.000 3.127) 6.318 7.419 ( 4.562 0.000 -1.089) 4.690 7.446 ( 4.760 0.000 -3.332) 5.810 7.537 ( 4.496 0.000 -4.412) 6.299 7.566 ( -0.318 0.000 0.788) 0.850 7.597 ( -6.351 0.000 2.836) 6.956 7.644 ( 5.456 0.000 2.925) 6.191 7.741 ( -6.172 0.000 6.610) 9.044 7.815 ( 3.144 0.000 3.484) 4.693 8.123 ( -4.577 0.000 3.721) 5.899 8.213 ( -2.841 0.000 3.096) 4.202 8.355 ( -6.597 0.000 -4.805) 8.161 8.373 ( -1.556 0.000 -1.138) 1.928 8.376 ( -5.298 0.000 0.521) 5.323 8.512 ( -4.701 0.000 0.772) 4.764 8.565 ( -5.501 0.000 4.175) 6.906 8.659 ( -10.813 0.000 3.498) 11.365 8.748 ( -18.063 0.000 12.866) 22.177 8.920 ( -0.036 0.000 5.043) 5.043 8.960 ( -7.320 0.000 0.940) 7.380 9.646 ( 1.982 0.000 3.260) 3.815 9.935 ( 0.604 0.000 0.423) 0.737 9.945 ( 1.262 0.000 0.248) 1.286 10.005 ( 8.892 0.000 0.089) 8.893 10.117 ( 15.571 0.000 -0.027) 15.571 10.657 ( 1.857 0.000 -10.218) 10.385 10.671 ( -6.947 0.000 0.452) 6.962 10.787 ( -8.521 0.000 -2.985) 9.029 11.036 ( -1.452 0.000 1.897) 2.388 11.491 ( -0.410 0.000 -7.392) 7.404 12.331 ( 0.050 0.000 0.579) 0.581 12.409 ( 4.273 0.000 -0.455) 4.297 12.495 ( 0.251 0.000 0.724) 0.767 12.813 ( 9.245 0.000 -16.055) 18.527 14.104 ( -8.790 0.000 0.205) 8.793 14.148 ( -10.407 0.000 -0.375) 10.413 14.456 ( 1.110 0.000 -0.083) 1.113 14.592 ( 16.803 0.000 -7.412) 18.365 15.342 ( -2.298 0.000 0.362) 2.327 15.372 ( 0.256 0.000 -1.666) 1.685 15.890 ( 8.965 0.000 -0.010) 8.965 16.081 ( 0.975 0.000 -3.604) 3.733 18.334 ( 7.646 0.000 0.675) 7.676 18.606 ( 8.544 0.000 -6.245) 10.583 18.639 ( 7.469 0.000 0.327) 7.476 18.827 ( 18.492 0.000 -11.571) 21.814 19.093 ( -0.028 0.000 3.439) 3.439 19.108 ( 0.979 0.000 3.009) 3.165 19.548 ( -0.156 0.000 -3.099) 3.103 19.563 ( 0.348 0.000 -3.205) 3.224 19.731 ( -0.208 0.000 4.986) 4.991 19.905 ( -7.857 0.000 8.753) 11.762 20.356 ( -0.189 0.000 -2.767) 2.774 20.384 ( -0.305 0.000 -4.503) 4.513 20.625 ( 0.793 0.000 3.501) 3.589 20.688 ( -6.218 0.000 0.367) 6.229 20.888 ( 4.297 0.000 -7.797) 8.903 21.180 ( -2.907 0.000 -3.785) 4.772 24.288 ( -1.175 0.000 -1.424) 1.846 24.365 ( 0.396 0.000 -2.755) 2.783 24.597 ( -7.135 0.000 3.867) 8.116 24.997 ( 1.044 0.000 0.934) 1.401 25.147 ( -5.870 0.000 -1.330) 6.019 25.158 ( 2.440 0.000 -0.760) 2.555 25.314 ( 5.317 0.000 0.093) 5.318 25.554 ( -0.233 0.000 -6.469) 6.473 26.500 ( 1.764 0.000 4.286) 4.635 26.647 ( -1.381 0.000 1.797) 2.266 26.965 ( -4.318 0.000 12.741) 13.453 27.314 ( -56.430 0.000 46.327) 73.010 30.127 ( -0.946 0.000 0.128) 0.955 30.167 ( -1.474 0.000 -0.589) 1.588 30.271 ( 0.520 0.000 0.155) 0.543 30.305 ( 0.642 0.000 -0.374) 0.743 35.630 ( 5.880 0.000 1.586) 6.091 36.049 ( 12.448 0.000 2.405) 12.678 36.200 ( 11.234 0.000 -6.347) 12.903 37.001 ( 42.939 0.000 -40.994) 59.365 38.738 ( 0.756 0.000 0.323) 0.822 38.778 ( 0.686 0.000 -0.268) 0.737 39.203 ( -1.880 0.000 1.798) 2.601 39.288 ( 1.590 0.000 3.404) 3.757 39.411 ( 1.326 0.000 0.026) 1.326 39.516 ( -0.084 0.000 -2.023) 2.025 39.730 ( 4.002 0.000 -1.553) 4.293 40.359 ( 32.370 0.000 -33.794) 46.796 41.585 ( 0.347 0.000 0.705) 0.786 41.715 ( 0.398 0.000 -1.017) 1.092 43.139 ( 2.328 0.000 3.701) 4.372 44.419 ( -10.265 0.000 -11.504) 15.418 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 10.483 0.000 35.213) 36.740 1.445 ( 28.166 0.000 1.513) 28.206 1.622 ( 7.726 0.000 19.176) 20.674 1.755 ( 10.313 0.000 23.514) 25.676 1.838 ( 7.955 0.000 -6.697) 10.399 2.063 ( -9.868 0.000 15.801) 18.629 2.416 ( 20.558 0.000 0.308) 20.560 2.480 ( -4.870 0.000 0.654) 4.914 2.534 ( -7.376 0.000 7.352) 10.414 2.684 ( 5.387 0.000 4.192) 6.825 2.770 ( 9.138 0.000 2.340) 9.433 2.778 ( -18.870 0.000 8.507) 20.699 2.895 ( 22.032 0.000 1.986) 22.122 2.917 ( 10.797 0.000 11.988) 16.134 3.038 ( 7.686 0.000 -2.556) 8.100 3.070 ( 13.243 0.000 8.365) 15.664 3.360 ( 4.913 0.000 0.124) 4.914 3.475 ( 1.658 0.000 -3.452) 3.830 3.965 ( 0.073 0.000 3.274) 3.274 4.169 ( -9.194 0.000 2.334) 9.486 4.528 ( 9.973 0.000 -5.708) 11.491 4.868 ( 1.410 0.000 -2.407) 2.789 5.027 ( -1.190 0.000 -6.765) 6.868 5.325 ( 5.461 0.000 -1.560) 5.680 5.376 ( 4.777 0.000 -1.480) 5.001 5.407 ( 6.344 0.000 -5.688) 8.521 5.663 ( 15.503 0.000 -8.434) 17.649 5.663 ( 2.303 0.000 -3.820) 4.461 5.816 ( 7.870 0.000 -5.173) 9.418 5.827 ( -13.402 0.000 0.830) 13.428 5.971 ( 2.200 0.000 -2.912) 3.649 5.999 ( 8.358 0.000 -4.809) 9.643 6.294 ( -6.169 0.000 -7.998) 10.101 6.315 ( 6.355 0.000 0.004) 6.355 6.458 ( 1.188 0.000 -2.995) 3.222 6.500 ( 0.066 0.000 -4.526) 4.527 6.637 ( 2.049 0.000 -1.323) 2.439 6.798 ( -0.989 0.000 -6.661) 6.734 6.801 ( -9.839 0.000 4.505) 10.821 6.878 ( 2.278 0.000 2.068) 3.076 7.065 ( -0.022 0.000 5.828) 5.828 7.193 ( 4.565 0.000 2.676) 5.291 7.253 ( 5.599 0.000 1.298) 5.748 7.405 ( -8.584 0.000 -1.444) 8.704 7.439 ( -4.968 0.000 -0.906) 5.050 7.483 ( -2.096 0.000 1.129) 2.380 7.511 ( -6.632 0.000 -2.655) 7.144 7.618 ( 1.173 0.000 -4.117) 4.280 7.630 ( -2.803 0.000 4.516) 5.315 7.829 ( 11.196 0.000 0.905) 11.233 7.852 ( 0.528 0.000 2.568) 2.622 7.999 ( -8.595 0.000 3.517) 9.287 8.044 ( -18.001 0.000 8.015) 19.705 8.166 ( -7.383 0.000 -0.129) 7.384 8.286 ( 5.495 0.000 2.030) 5.858 8.365 ( -0.220 0.000 -0.185) 0.287 8.431 ( -2.351 0.000 -0.470) 2.397 8.503 ( -2.375 0.000 -1.666) 2.901 8.541 ( 1.690 0.000 3.016) 3.457 8.688 ( -0.689 0.000 -2.946) 3.025 8.877 ( -0.372 0.000 4.522) 4.537 9.026 ( 9.493 0.000 1.622) 9.630 9.694 ( 2.620 0.000 2.826) 3.853 9.946 ( 0.076 0.000 0.903) 0.906 9.950 ( -1.403 0.000 -0.119) 1.408 10.135 ( 1.479 0.000 0.136) 1.485 10.430 ( 14.784 0.000 -0.256) 14.786 10.486 ( -10.386 0.000 0.206) 10.388 10.499 ( -17.592 0.000 -0.743) 17.608 10.677 ( 2.773 0.000 -4.348) 5.157 10.957 ( -6.781 0.000 1.766) 7.007 11.363 ( -10.722 0.000 -4.089) 11.476 12.336 ( 0.905 0.000 1.251) 1.543 12.477 ( 1.536 0.000 -0.644) 1.666 12.494 ( -0.127 0.000 0.707) 0.718 12.749 ( -10.277 0.000 -5.166) 11.502 13.955 ( -8.190 0.000 0.009) 8.190 13.958 ( -5.526 0.000 -0.045) 5.526 14.474 ( 1.133 0.000 1.238) 1.678 14.883 ( 11.816 0.000 -5.691) 13.115 15.358 ( 3.824 0.000 -0.017) 3.824 15.429 ( 5.001 0.000 -5.036) 7.097 16.055 ( 7.084 0.000 -1.598) 7.262 16.094 ( 0.453 0.000 -2.980) 3.014 18.525 ( 10.904 0.000 0.565) 10.919 18.759 ( 6.711 0.000 -3.600) 7.616 18.786 ( 6.120 0.000 0.315) 6.129 19.053 ( 4.537 0.000 -4.313) 6.260 19.095 ( 0.182 0.000 3.690) 3.694 19.153 ( 4.221 0.000 -2.411) 4.861 19.545 ( -0.086 0.000 -2.952) 2.953 19.570 ( 0.329 0.000 -3.132) 3.149 19.726 ( -0.321 0.000 4.924) 4.934 19.794 ( -3.657 0.000 8.303) 9.073 20.353 ( -0.124 0.000 -3.424) 3.426 20.375 ( -0.625 0.000 -4.433) 4.477 20.538 ( -8.052 0.000 0.946) 8.108 20.654 ( 2.285 0.000 1.408) 2.684 20.895 ( -2.764 0.000 -5.947) 6.558 21.111 ( -3.759 0.000 -3.201) 4.937 24.267 ( -0.846 0.000 -1.342) 1.587 24.380 ( 1.171 0.000 -2.745) 2.984 24.454 ( -6.776 0.000 2.145) 7.108 24.972 ( -7.690 0.000 -4.325) 8.823 25.042 ( 0.018 0.000 1.407) 1.407 25.212 ( 2.640 0.000 -1.264) 2.928 25.424 ( 5.303 0.000 0.620) 5.339 25.561 ( 0.875 0.000 -2.185) 2.354 26.548 ( 3.065 0.000 4.336) 5.311 26.601 ( -3.740 0.000 6.163) 7.209 26.733 ( -11.767 0.000 22.307) 25.220 26.863 ( -5.636 0.000 8.187) 9.940 30.099 ( -1.734 0.000 0.094) 1.737 30.125 ( -2.300 0.000 -0.274) 2.316 30.287 ( 0.903 0.000 0.131) 0.913 30.317 ( 0.499 0.000 -0.314) 0.590 35.769 ( 7.373 0.000 2.498) 7.784 36.335 ( 14.797 0.000 4.330) 15.418 36.466 ( 14.820 0.000 -7.168) 16.462 37.349 ( 3.278 0.000 -16.367) 16.692 38.756 ( 0.955 0.000 0.311) 1.005 38.794 ( 0.851 0.000 -0.260) 0.890 39.169 ( -1.530 0.000 1.659) 2.257 39.313 ( 0.884 0.000 4.288) 4.379 39.436 ( 1.416 0.000 -0.607) 1.541 39.514 ( -0.317 0.000 -1.272) 1.311 39.829 ( 5.598 0.000 -2.078) 5.971 40.762 ( 10.955 0.000 -26.113) 28.318 41.600 ( 1.041 0.000 -0.128) 1.049 41.726 ( 0.669 0.000 -1.163) 1.342 43.146 ( -1.082 0.000 3.355) 3.525 44.175 ( -13.101 0.000 -9.304) 16.069 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 9.191 0.000 29.118) 30.534 1.761 ( 7.870 0.000 13.763) 15.854 1.809 ( -8.467 0.000 17.616) 19.545 1.936 ( 17.454 0.000 1.180) 17.494 1.969 ( 0.816 0.000 -1.529) 1.733 1.970 ( 10.151 0.000 19.122) 21.649 2.318 ( -8.703 0.000 4.591) 9.839 2.352 ( -11.600 0.000 8.725) 14.515 2.402 ( -11.963 0.000 15.230) 19.366 2.549 ( 1.575 0.000 -2.947) 3.341 2.789 ( 2.531 0.000 2.292) 3.414 2.823 ( 0.245 0.000 12.895) 12.898 3.161 ( 4.975 0.000 -1.635) 5.237 3.197 ( 7.062 0.000 0.108) 7.063 3.262 ( 10.341 0.000 -1.793) 10.495 3.290 ( 7.237 0.000 5.145) 8.880 3.457 ( 3.818 0.000 -1.669) 4.167 3.490 ( -0.166 0.000 -3.835) 3.839 3.975 ( 0.689 0.000 4.023) 4.081 4.001 ( -5.462 0.000 1.505) 5.666 4.760 ( -8.349 0.000 1.379) 8.463 4.798 ( 13.568 0.000 -0.846) 13.594 4.952 ( -0.737 0.000 -2.462) 2.570 5.305 ( -10.177 0.000 -11.684) 15.495 5.447 ( 1.774 0.000 2.790) 3.306 5.572 ( 5.213 0.000 -8.795) 10.223 5.751 ( 3.645 0.000 -0.862) 3.746 5.780 ( 11.115 0.000 -1.626) 11.233 5.894 ( 5.697 0.000 -9.944) 11.460 5.975 ( 3.491 0.000 -8.990) 9.644 6.049 ( -2.037 0.000 -4.527) 4.964 6.056 ( 8.186 0.000 -0.349) 8.194 6.193 ( -4.254 0.000 -7.568) 8.681 6.387 ( 1.695 0.000 -6.676) 6.887 6.471 ( -6.386 0.000 0.392) 6.398 6.568 ( -7.592 0.000 -2.187) 7.900 6.666 ( 9.352 0.000 -2.213) 9.611 6.772 ( 1.172 0.000 -2.287) 2.569 6.780 ( 10.022 0.000 5.987) 11.674 6.932 ( -1.603 0.000 2.756) 3.189 7.038 ( 2.007 0.000 6.502) 6.805 7.213 ( 1.700 0.000 0.917) 1.932 7.216 ( -5.978 0.000 5.170) 7.903 7.313 ( 0.036 0.000 -3.867) 3.868 7.342 ( 1.500 0.000 -2.713) 3.100 7.435 ( -1.748 0.000 3.024) 3.492 7.459 ( -4.601 0.000 -3.389) 5.714 7.599 ( -0.002 0.000 5.989) 5.989 7.628 ( -5.021 0.000 3.469) 6.103 7.773 ( -8.669 0.000 4.685) 9.854 7.792 ( -5.182 0.000 -1.279) 5.338 7.847 ( -2.915 0.000 1.041) 3.095 8.054 ( -3.546 0.000 3.212) 4.785 8.059 ( 10.894 0.000 -1.837) 11.048 8.343 ( -1.142 0.000 -1.616) 1.979 8.347 ( -1.408 0.000 1.583) 2.118 8.410 ( -0.223 0.000 -0.523) 0.568 8.476 ( -0.392 0.000 -5.457) 5.471 8.566 ( -0.202 0.000 1.447) 1.461 8.677 ( -0.413 0.000 -3.668) 3.691 8.926 ( 3.107 0.000 6.582) 7.278 9.297 ( 16.655 0.000 0.277) 16.658 9.730 ( 0.591 0.000 0.891) 1.069 9.799 ( -16.086 0.000 0.075) 16.086 9.940 ( -0.016 0.000 0.662) 0.662 10.045 ( -3.987 0.000 -0.629) 4.037 10.287 ( -3.120 0.000 1.177) 3.335 10.338 ( -3.719 0.000 0.406) 3.741 10.651 ( 7.022 0.000 -0.096) 7.023 10.768 ( 4.156 0.000 -1.719) 4.498 10.809 ( -6.466 0.000 1.655) 6.674 11.159 ( -7.424 0.000 -3.074) 8.035 12.387 ( 4.648 0.000 1.194) 4.799 12.470 ( -0.785 0.000 -0.045) 0.787 12.499 ( 0.045 0.000 0.071) 0.084 12.539 ( -9.596 0.000 -0.711) 9.622 13.847 ( -2.834 0.000 0.262) 2.846 13.891 ( -1.574 0.000 -0.381) 1.620 14.501 ( 1.147 0.000 2.462) 2.716 15.039 ( 4.103 0.000 -2.831) 4.985 15.441 ( 3.115 0.000 -0.589) 3.170 15.521 ( 3.116 0.000 -5.864) 6.640 16.099 ( 0.014 0.000 -2.974) 2.974 16.150 ( 2.496 0.000 -2.606) 3.608 18.713 ( 7.012 0.000 0.218) 7.016 18.846 ( 0.027 0.000 0.442) 0.443 18.850 ( 2.397 0.000 -2.352) 3.358 19.085 ( 0.334 0.000 0.643) 0.725 19.100 ( 0.236 0.000 4.231) 4.238 19.223 ( 1.954 0.000 -4.367) 4.784 19.544 ( -0.020 0.000 -2.814) 2.814 19.574 ( 0.133 0.000 -3.041) 3.044 19.720 ( -0.184 0.000 4.929) 4.932 19.751 ( -0.966 0.000 6.620) 6.690 20.346 ( -0.807 0.000 -4.117) 4.196 20.364 ( -0.233 0.000 -3.823) 3.830 20.420 ( -3.067 0.000 1.094) 3.256 20.715 ( 3.866 0.000 -1.790) 4.260 20.814 ( -4.668 0.000 -2.292) 5.201 21.053 ( -1.725 0.000 -2.735) 3.234 24.258 ( -0.073 0.000 -1.558) 1.560 24.356 ( -2.873 0.000 1.736) 3.357 24.407 ( 1.221 0.000 -2.902) 3.149 24.826 ( -4.945 0.000 -4.842) 6.921 25.060 ( 0.710 0.000 1.347) 1.523 25.250 ( 1.097 0.000 -1.609) 1.947 25.501 ( 2.169 0.000 0.769) 2.301 25.578 ( 0.592 0.000 -0.209) 0.628 26.532 ( -1.994 0.000 10.133) 10.327 26.611 ( 2.844 0.000 5.055) 5.801 26.638 ( -1.426 0.000 8.266) 8.389 26.764 ( -3.823 0.000 4.473) 5.884 30.071 ( -0.851 0.000 0.022) 0.852 30.090 ( -1.009 0.000 -0.286) 1.049 30.300 ( 0.400 0.000 0.077) 0.407 30.324 ( 0.173 0.000 -0.276) 0.325 35.881 ( 3.321 0.000 3.109) 4.549 36.554 ( 6.305 0.000 5.346) 8.266 36.713 ( 8.385 0.000 -9.717) 12.835 37.326 ( -2.797 0.000 -6.129) 6.737 38.771 ( 0.431 0.000 0.302) 0.526 38.807 ( 0.373 0.000 -0.243) 0.445 39.148 ( -0.573 0.000 1.651) 1.747 39.323 ( 0.173 0.000 4.971) 4.974 39.464 ( 1.182 0.000 -2.316) 2.600 39.503 ( -0.704 0.000 0.522) 0.876 39.918 ( 2.762 0.000 -2.527) 3.744 40.878 ( 2.373 0.000 -18.389) 18.542 41.618 ( 0.613 0.000 -0.784) 0.995 41.738 ( 0.390 0.000 -1.331) 1.388 43.122 ( -0.912 0.000 4.101) 4.201 43.974 ( -5.999 0.000 -7.441) 9.558 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 34.340 6.761) 34.999 0.922 ( 0.000 11.248 32.310) 34.212 1.366 ( 0.000 45.010 13.762) 47.067 1.406 ( 0.000 -4.765 27.990) 28.393 1.670 ( 0.000 8.693 15.670) 17.919 1.801 ( 0.000 14.070 -0.675) 14.086 1.880 ( 0.000 27.470 -8.867) 28.865 2.334 ( 0.000 -3.150 6.580) 7.295 2.376 ( 0.000 4.442 12.881) 13.625 2.611 ( 0.000 -7.812 0.838) 7.857 2.702 ( 0.000 0.617 2.642) 2.713 2.717 ( 0.000 -7.205 11.321) 13.420 2.779 ( 0.000 0.040 6.977) 6.978 2.839 ( 0.000 -1.623 -1.393) 2.139 2.931 ( 0.000 -2.312 13.027) 13.230 3.049 ( 0.000 -12.085 10.571) 16.056 3.445 ( 0.000 4.310 -5.353) 6.873 3.561 ( 0.000 3.531 2.233) 4.178 4.088 ( 0.000 -0.785 0.562) 0.965 4.185 ( 0.000 11.957 1.879) 12.104 4.394 ( 0.000 -4.339 -2.665) 5.092 4.670 ( 0.000 -10.212 1.360) 10.303 4.924 ( 0.000 3.272 -14.591) 14.953 5.117 ( 0.000 6.303 -1.006) 6.383 5.247 ( 0.000 2.549 -7.868) 8.271 5.285 ( 0.000 7.055 -1.353) 7.183 5.555 ( 0.000 -5.174 -5.039) 7.222 5.650 ( 0.000 5.753 -12.335) 13.610 5.879 ( 0.000 1.192 -4.590) 4.743 5.931 ( 0.000 6.259 -4.832) 7.907 5.985 ( 0.000 3.758 -5.856) 6.958 6.100 ( 0.000 -8.736 -4.023) 9.618 6.272 ( 0.000 -0.210 1.301) 1.318 6.479 ( 0.000 0.225 -1.670) 1.685 6.557 ( 0.000 -0.301 -9.171) 9.176 6.568 ( 0.000 -0.956 -0.165) 0.970 6.633 ( 0.000 3.340 -3.965) 5.184 6.788 ( 0.000 2.743 -2.269) 3.560 6.831 ( 0.000 1.140 1.970) 2.276 6.848 ( 0.000 1.456 2.304) 2.725 6.927 ( 0.000 -3.107 0.870) 3.227 7.054 ( 0.000 1.651 4.291) 4.597 7.086 ( 0.000 -1.236 3.376) 3.595 7.158 ( 0.000 -11.395 3.457) 11.908 7.248 ( 0.000 -12.908 -1.542) 13.000 7.437 ( 0.000 -0.360 -0.527) 0.638 7.567 ( 0.000 -3.140 3.839) 4.960 7.585 ( 0.000 0.761 0.770) 1.083 7.784 ( 0.000 3.535 4.502) 5.724 7.860 ( 0.000 8.241 -0.666) 8.268 7.954 ( 0.000 9.910 4.446) 10.862 7.962 ( 0.000 -24.901 2.805) 25.058 8.083 ( 0.000 -15.817 1.642) 15.902 8.337 ( 0.000 -8.077 -2.035) 8.329 8.382 ( 0.000 -1.595 -1.856) 2.447 8.383 ( 0.000 0.621 0.191) 0.650 8.481 ( 0.000 -7.354 0.769) 7.394 8.529 ( 0.000 -4.598 5.104) 6.870 8.573 ( 0.000 -24.511 20.442) 31.916 8.682 ( 0.000 -1.594 -2.609) 3.057 8.934 ( 0.000 6.358 3.400) 7.210 9.240 ( 0.000 2.984 0.395) 3.010 9.507 ( 0.000 -6.681 1.585) 6.866 9.670 ( 0.000 -10.619 -0.818) 10.650 10.024 ( 0.000 9.122 1.095) 9.188 10.126 ( 0.000 15.022 1.893) 15.141 10.369 ( 0.000 9.539 -1.055) 9.597 10.603 ( 0.000 5.173 -8.756) 10.170 10.800 ( 0.000 5.851 0.671) 5.889 11.002 ( 0.000 12.734 -4.366) 13.461 11.095 ( 0.000 4.183 0.955) 4.290 11.372 ( 0.000 -0.014 -3.387) 3.387 12.341 ( 0.000 1.018 0.554) 1.159 12.456 ( 0.000 -1.957 0.870) 2.142 12.531 ( 0.000 3.263 -0.041) 3.263 12.904 ( 0.000 13.441 -23.450) 27.029 14.218 ( 0.000 -0.784 0.127) 0.794 14.326 ( 0.000 -3.714 0.245) 3.722 14.424 ( 0.000 -0.363 -1.309) 1.359 14.432 ( 0.000 8.019 -11.332) 13.883 15.443 ( 0.000 4.997 -0.228) 5.002 15.506 ( 0.000 8.845 -7.259) 11.443 15.763 ( 0.000 -1.465 0.575) 1.574 15.996 ( 0.000 -6.127 -2.356) 6.564 18.288 ( 0.000 2.953 0.747) 3.046 18.442 ( 0.000 2.323 -1.594) 2.817 18.533 ( 0.000 -2.436 0.173) 2.442 18.585 ( 0.000 -0.696 -0.647) 0.950 19.092 ( 0.000 -0.209 3.706) 3.712 19.096 ( 0.000 -0.130 3.469) 3.472 19.551 ( 0.000 0.070 -3.175) 3.176 19.557 ( 0.000 -0.078 -3.206) 3.207 19.735 ( 0.000 0.167 5.199) 5.202 19.880 ( 0.000 -8.248 10.114) 13.050 20.360 ( 0.000 0.078 -2.718) 2.720 20.383 ( 0.000 -0.418 -4.335) 4.355 20.628 ( 0.000 0.898 4.002) 4.102 20.732 ( 0.000 -1.560 0.610) 1.675 20.841 ( 0.000 4.657 -1.027) 4.769 21.189 ( 0.000 -2.828 -4.586) 5.388 24.324 ( 0.000 2.168 -1.907) 2.887 24.443 ( 0.000 7.720 -3.118) 8.326 24.585 ( 0.000 -6.145 2.453) 6.617 25.022 ( 0.000 -0.367 -0.201) 0.418 25.125 ( 0.000 0.244 -0.569) 0.619 25.181 ( 0.000 -1.476 0.897) 1.727 25.281 ( 0.000 1.939 -0.790) 2.094 25.488 ( 0.000 -6.205 -7.663) 9.861 26.486 ( 0.000 0.568 6.037) 6.064 26.689 ( 0.000 2.625 1.712) 3.134 26.960 ( 0.000 -4.761 12.601) 13.471 27.291 ( 0.000 -54.509 45.750) 71.164 30.149 ( 0.000 1.306 0.093) 1.309 30.171 ( 0.000 1.363 -0.238) 1.384 30.261 ( 0.000 -1.118 -0.022) 1.118 30.286 ( 0.000 -1.182 -0.327) 1.226 35.605 ( 0.000 3.491 1.009) 3.634 35.759 ( 0.000 3.474 -1.204) 3.677 35.944 ( 0.000 -2.746 -0.784) 2.856 36.086 ( 0.000 -3.748 -1.786) 4.152 38.834 ( 0.000 6.088 -0.047) 6.088 38.912 ( 0.000 6.953 -1.397) 7.092 39.236 ( 0.000 -2.652 2.713) 3.794 39.332 ( 0.000 -5.069 1.133) 5.194 39.414 ( 0.000 6.052 -4.503) 7.543 39.553 ( 0.000 3.839 -3.062) 4.911 39.663 ( 0.000 -2.535 -1.409) 2.901 39.815 ( 0.000 -2.789 -3.478) 4.458 41.758 ( 0.000 16.186 2.456) 16.371 42.974 ( 0.000 -11.449 8.303) 14.143 43.254 ( 0.000 72.102 -68.296) 99.313 44.496 ( 0.000 -3.107 -14.432) 14.762 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.14 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 12.626 8.577 27.482) 31.437 1.139 ( 17.210 18.731 15.284) 29.676 1.474 ( 6.366 -5.884 28.121) 29.427 1.663 ( 1.409 7.999 17.431) 19.230 1.814 ( 8.802 16.208 -5.636) 19.286 1.877 ( 34.525 27.945 2.177) 44.470 2.232 ( 23.251 9.429 -2.893) 25.256 2.320 ( -2.193 5.538 11.880) 13.290 2.458 ( 11.155 -4.192 4.192) 12.633 2.597 ( -0.339 -5.998 3.416) 6.911 2.654 ( -4.191 -4.929 8.179) 10.428 2.677 ( -3.293 -2.032 7.472) 8.415 2.819 ( 3.900 0.503 6.071) 7.233 2.887 ( 4.371 -2.024 5.050) 6.979 2.929 ( 4.097 2.646 5.210) 7.136 3.166 ( 6.929 -8.303 7.541) 13.185 3.327 ( -16.263 6.730 4.263) 18.110 3.489 ( 2.440 5.585 -3.513) 7.034 4.029 ( -10.408 0.466 2.648) 10.750 4.097 ( 1.787 -7.763 0.745) 8.000 4.568 ( 3.667 3.492 -4.274) 6.626 4.768 ( 14.248 5.023 -6.085) 16.287 4.919 ( 2.349 0.719 -4.853) 5.440 5.215 ( 5.293 0.577 -1.524) 5.538 5.286 ( 4.425 1.346 -10.102) 11.111 5.399 ( 9.977 6.482 -2.836) 12.231 5.553 ( -1.503 -2.163 -2.196) 3.429 5.622 ( -2.158 4.193 -8.850) 10.027 5.800 ( -3.384 1.758 -3.891) 5.448 5.904 ( 0.067 4.139 -1.492) 4.400 5.973 ( -0.025 2.567 -4.571) 5.242 6.018 ( -8.855 -6.550 -5.144) 12.156 6.256 ( -0.373 -0.419 3.262) 3.310 6.416 ( -5.418 0.495 -4.739) 7.216 6.496 ( -1.911 0.632 -5.748) 6.090 6.537 ( -4.999 -2.257 -3.088) 6.294 6.641 ( -0.182 1.096 -4.344) 4.484 6.799 ( -0.539 0.518 -4.387) 4.450 6.852 ( 1.035 1.385 2.858) 3.340 6.901 ( 2.059 1.568 1.429) 2.956 6.983 ( 5.375 -2.297 0.764) 5.895 7.060 ( 1.659 -3.965 3.312) 5.426 7.138 ( 2.015 -3.337 2.486) 4.623 7.226 ( 5.320 -9.242 2.964) 11.068 7.273 ( 2.448 -10.198 0.313) 10.492 7.477 ( 1.304 -4.259 0.074) 4.455 7.547 ( -0.696 0.047 -1.773) 1.905 7.603 ( 1.474 -1.360 1.167) 2.320 7.743 ( -1.448 5.313 3.939) 6.771 7.864 ( -0.286 1.252 0.292) 1.317 7.905 ( 0.873 1.754 3.761) 4.240 8.016 ( -3.885 -9.617 1.370) 10.462 8.068 ( 4.771 -7.585 2.792) 9.386 8.253 ( -7.074 -8.798 0.786) 11.317 8.331 ( -7.069 -3.231 4.841) 9.157 8.382 ( -0.279 0.610 0.160) 0.690 8.447 ( -2.375 -4.001 0.477) 4.677 8.490 ( -1.981 -8.815 8.290) 12.262 8.550 ( -0.393 -0.317 2.447) 2.499 8.681 ( -0.252 -1.813 -2.481) 3.083 8.991 ( 4.151 8.014 2.287) 9.311 9.087 ( -7.643 8.487 0.886) 11.456 9.567 ( 4.738 -7.346 2.216) 9.019 9.850 ( 9.546 -10.535 -0.797) 14.239 10.047 ( 2.364 8.447 0.676) 8.797 10.146 ( -0.285 10.645 1.332) 10.732 10.278 ( -3.201 13.852 -1.266) 14.273 10.461 ( -5.746 -7.106 -2.212) 9.402 10.735 ( -6.772 5.764 0.463) 8.905 10.836 ( -10.624 6.209 -1.218) 12.366 11.313 ( -0.670 9.044 -3.044) 9.566 11.461 ( 8.372 -2.460 -5.629) 10.384 12.343 ( -0.040 1.358 0.457) 1.434 12.414 ( -2.268 0.263 0.456) 2.328 12.506 ( -0.441 1.212 0.115) 1.295 12.828 ( -9.039 -1.627 -12.918) 15.850 14.114 ( -7.463 1.096 0.236) 7.546 14.196 ( -11.665 3.547 -1.548) 12.290 14.428 ( 0.358 -2.706 -0.502) 2.776 14.524 ( 9.326 -5.386 -4.808) 11.794 15.385 ( -4.926 5.503 0.255) 7.390 15.508 ( 3.777 9.220 -5.141) 11.212 15.865 ( 7.063 -2.614 -0.533) 7.550 16.004 ( 1.189 -7.201 -2.832) 7.829 18.392 ( 8.068 4.862 0.009) 9.420 18.611 ( 9.855 0.552 -5.025) 11.076 18.628 ( 7.499 -1.263 -0.061) 7.605 18.774 ( 17.788 -4.265 -7.387) 19.728 19.092 ( 0.087 -0.066 3.614) 3.616 19.103 ( 0.662 -0.371 3.520) 3.601 19.549 ( -0.111 0.126 -3.108) 3.113 19.561 ( 0.297 -0.143 -3.194) 3.211 19.733 ( -0.196 0.176 5.171) 5.178 19.837 ( -3.379 -4.601 9.628) 11.193 20.357 ( -0.179 0.103 -2.938) 2.945 20.380 ( -0.262 -0.385 -4.333) 4.358 20.627 ( -0.475 0.671 3.004) 3.115 20.725 ( -2.871 1.642 0.265) 3.318 20.859 ( 2.393 -0.104 -3.633) 4.352 21.153 ( -3.147 -2.874 -3.897) 5.775 24.312 ( -1.168 2.130 -1.541) 2.877 24.433 ( -0.857 6.486 -3.055) 7.220 24.537 ( -4.536 -4.258 1.774) 6.469 25.017 ( -1.312 -1.955 -1.662) 2.882 25.097 ( -3.031 -0.700 -0.128) 3.113 25.194 ( 1.653 1.505 -0.154) 2.241 25.305 ( 3.121 -0.514 -0.127) 3.166 25.499 ( 1.197 -4.702 -5.064) 7.013 26.499 ( 1.348 0.171 5.807) 5.964 26.674 ( -1.584 2.382 2.364) 3.711 26.908 ( -8.401 -9.325 17.858) 21.828 26.967 ( -16.776 -16.539 30.197) 38.299 30.140 ( -0.997 1.267 0.124) 1.616 30.172 ( -0.711 0.928 -0.342) 1.218 30.262 ( 0.165 -1.199 0.046) 1.212 30.287 ( 0.315 -1.465 -0.287) 1.526 35.666 ( 5.321 3.437 1.587) 6.530 35.952 ( 14.030 -6.529 1.171) 15.519 36.173 ( 11.370 -2.620 -4.320) 12.443 36.528 ( 38.989 -22.372 -11.075) 46.296 38.842 ( 0.748 6.211 -0.011) 6.256 38.912 ( 0.135 8.407 -1.075) 8.477 39.244 ( 0.432 -1.904 2.597) 3.249 39.314 ( -2.213 2.355 0.530) 3.275 39.380 ( -0.373 -0.941 -0.269) 1.048 39.551 ( -0.161 3.807 -2.944) 4.815 39.701 ( 3.595 -2.769 -1.717) 4.852 40.024 ( 16.658 -14.428 -8.988) 23.800 41.757 ( -0.084 16.104 2.362) 16.277 42.786 ( -17.776 33.162 -14.307) 40.254 43.139 ( -6.104 19.478 -20.416) 28.870 44.376 ( -11.454 -4.418 -13.352) 18.138 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.29 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 10.774 3.054 33.909) 35.710 1.570 ( 19.605 8.967 5.248) 22.188 1.640 ( 12.735 -2.346 21.209) 24.849 1.734 ( 6.554 5.642 17.909) 19.887 1.924 ( 4.321 7.323 -5.663) 10.216 2.131 ( -8.877 5.455 14.186) 17.601 2.391 ( 5.957 -3.406 -0.766) 6.905 2.481 ( -3.634 -2.294 4.431) 6.173 2.505 ( -6.143 -2.744 6.108) 9.087 2.665 ( 0.144 -8.706 9.962) 13.231 2.740 ( 6.758 4.177 2.809) 8.427 2.839 ( 19.387 1.388 4.316) 19.910 2.880 ( 0.265 9.246 7.165) 11.700 2.988 ( 6.680 1.089 4.265) 8.000 3.050 ( 8.636 1.776 -1.536) 8.950 3.127 ( 10.688 4.487 4.666) 12.495 3.348 ( 7.244 -0.626 2.185) 7.592 3.568 ( 4.072 8.640 -2.149) 9.790 3.827 ( -6.872 -11.132 3.251) 13.480 4.187 ( 5.443 -3.075 4.506) 7.706 4.553 ( -1.719 6.252 -9.124) 11.193 4.939 ( 1.761 4.748 -2.812) 5.793 5.040 ( -1.392 0.956 -5.831) 6.071 5.308 ( 8.512 -2.983 -3.382) 9.633 5.358 ( 2.365 1.810 -6.345) 7.010 5.474 ( 3.537 3.672 -0.537) 5.127 5.593 ( 4.288 -3.626 -3.093) 6.411 5.710 ( 10.992 2.265 -7.037) 13.247 5.810 ( -9.074 -0.492 -0.877) 9.129 5.836 ( 3.985 1.033 -3.138) 5.177 5.970 ( 4.843 -0.824 -4.595) 6.726 5.991 ( 1.683 0.781 -4.771) 5.119 6.290 ( -0.120 -0.948 -5.259) 5.345 6.320 ( -0.892 0.274 -1.532) 1.794 6.431 ( -4.587 -6.428 -3.013) 8.452 6.471 ( -1.451 -3.643 -1.561) 4.220 6.623 ( -2.269 -1.537 -2.373) 3.625 6.757 ( -2.290 1.076 -2.014) 3.233 6.851 ( -5.218 0.689 1.176) 5.393 6.887 ( 2.280 1.471 0.095) 2.715 7.043 ( 1.267 -1.581 4.720) 5.137 7.145 ( 3.537 -4.742 -1.565) 6.119 7.154 ( 3.056 -3.158 2.480) 5.046 7.311 ( 3.484 -0.064 -0.290) 3.496 7.325 ( 2.342 -6.190 2.309) 7.009 7.405 ( -2.805 -4.104 1.623) 5.229 7.556 ( -1.085 1.482 -0.992) 2.087 7.640 ( 2.274 0.724 -0.724) 2.494 7.811 ( 6.635 0.238 3.128) 7.340 7.844 ( -5.558 -2.881 7.179) 9.525 7.869 ( -3.265 10.738 -1.863) 11.377 7.989 ( -0.830 4.372 -0.856) 4.532 8.125 ( -0.138 -2.912 2.197) 3.650 8.163 ( -6.582 2.912 4.053) 8.261 8.218 ( 5.023 -6.507 1.264) 8.316 8.369 ( -0.969 0.036 0.328) 1.024 8.413 ( -1.174 -1.527 -0.497) 1.989 8.499 ( 2.073 -3.309 2.196) 4.480 8.538 ( -0.650 2.106 -1.588) 2.717 8.674 ( -0.404 -1.210 -3.210) 3.454 8.981 ( -2.802 9.117 3.569) 10.184 9.105 ( 7.377 7.894 1.449) 10.901 9.628 ( 0.221 -9.130 2.395) 9.441 9.924 ( -2.171 -3.881 -1.078) 4.576 10.078 ( -2.053 3.752 0.278) 4.286 10.103 ( 0.187 8.859 0.243) 8.865 10.321 ( -1.083 -3.487 0.011) 3.651 10.388 ( 1.052 -6.884 -0.407) 6.976 10.560 ( -9.171 5.361 0.539) 10.637 10.682 ( -2.150 4.102 -1.096) 4.759 11.143 ( -14.054 3.529 -0.799) 14.513 11.425 ( -11.184 4.850 -4.514) 13.000 12.336 ( 0.036 0.211 0.907) 0.932 12.418 ( 0.721 -3.915 0.309) 3.993 12.514 ( 0.269 1.238 -0.182) 1.280 12.615 ( -9.540 -10.639 -3.352) 14.678 13.976 ( -6.378 3.078 0.306) 7.089 14.024 ( -5.213 5.500 -0.436) 7.590 14.419 ( -0.671 -5.171 0.916) 5.294 14.711 ( 8.522 -13.336 -3.902) 16.300 15.332 ( -0.176 3.868 1.357) 4.102 15.651 ( 9.569 11.869 -5.975) 16.375 15.932 ( 0.533 -9.421 -0.674) 9.461 16.088 ( 6.124 -2.335 -3.169) 7.279 18.583 ( 10.630 4.659 0.067) 11.606 18.745 ( 5.670 -0.922 -2.092) 6.113 18.807 ( 7.214 1.740 -1.164) 7.511 19.028 ( 6.809 -2.704 -6.459) 9.767 19.095 ( 0.248 0.081 3.755) 3.764 19.130 ( 2.687 -1.626 1.121) 3.335 19.548 ( -0.047 0.208 -2.964) 2.972 19.567 ( 0.293 -0.229 -3.111) 3.133 19.728 ( -0.303 0.193 5.102) 5.114 19.778 ( -2.394 -1.337 7.899) 8.361 20.354 ( -0.100 0.121 -3.484) 3.487 20.373 ( -0.498 -0.257 -4.309) 4.345 20.557 ( -6.366 1.928 1.220) 6.763 20.694 ( 0.900 2.581 1.262) 3.011 20.874 ( -1.558 -0.752 -4.919) 5.215 21.092 ( -2.560 -1.907 -3.340) 4.621 24.288 ( -1.073 1.840 -1.042) 2.372 24.414 ( -1.845 1.502 -1.569) 2.849 24.439 ( -3.812 0.779 -0.348) 3.907 24.908 ( -8.515 -6.056 -4.629) 11.428 25.079 ( 0.931 3.370 1.430) 3.778 25.247 ( 3.175 2.901 -1.001) 4.415 25.384 ( 4.055 -3.421 0.659) 5.346 25.531 ( 1.920 -2.802 -2.015) 3.950 26.534 ( 1.999 -0.793 5.509) 5.913 26.609 ( -5.082 -0.755 11.701) 12.779 26.694 ( -4.413 -1.477 12.277) 13.129 26.841 ( -4.954 -2.145 7.490) 9.233 30.110 ( -1.891 1.228 0.158) 2.261 30.146 ( -1.479 1.944 -0.366) 2.470 30.267 ( 0.233 -1.993 0.107) 2.009 30.297 ( 0.674 -1.674 -0.335) 1.835 35.799 ( 7.347 3.070 2.642) 8.389 36.249 ( 14.615 -7.416 3.717) 16.805 36.438 ( 14.482 -1.584 -5.920) 15.726 37.051 ( 14.400 -21.108 -9.694) 27.330 38.860 ( 0.914 6.500 0.076) 6.564 38.919 ( 0.503 10.225 -0.648) 10.258 39.234 ( -1.304 4.807 1.166) 5.116 39.288 ( -0.179 -0.737 3.147) 3.237 39.399 ( 1.656 -4.789 0.997) 5.164 39.545 ( -0.448 4.413 -3.087) 5.405 39.790 ( 4.953 -3.871 -2.230) 6.670 40.325 ( 12.450 -23.979 -11.713) 29.448 41.755 ( -0.180 15.873 2.167) 16.021 42.462 ( -12.773 43.008 -12.357) 46.536 43.047 ( -3.820 -7.186 0.578) 8.159 44.106 ( -14.443 -7.160 -10.504) 19.240 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.43 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 8.768 2.564 28.671) 30.092 1.743 ( 0.743 -4.590 20.548) 21.068 1.825 ( 2.957 4.708 14.337) 15.378 1.989 ( 2.841 2.707 -0.044) 3.925 2.010 ( 15.087 5.892 1.704) 16.286 2.030 ( 2.677 5.297 11.767) 13.179 2.300 ( -6.586 -4.387 10.199) 12.910 2.342 ( -8.639 -0.589 6.022) 10.548 2.419 ( -11.923 3.728 8.167) 14.925 2.557 ( 1.081 -0.091 0.654) 1.266 2.779 ( 0.817 -4.127 15.919) 16.465 2.874 ( 2.085 7.580 1.801) 8.065 3.118 ( 4.416 -8.963 2.717) 10.355 3.196 ( 6.169 3.645 -2.304) 7.527 3.252 ( 7.561 2.009 -0.347) 7.831 3.295 ( 5.123 0.963 0.099) 5.214 3.459 ( 3.698 0.196 -1.117) 3.868 3.543 ( -4.277 0.927 -1.512) 4.630 3.916 ( 13.702 2.218 2.892) 14.179 4.179 ( -9.119 10.321 2.187) 13.945 4.588 ( 6.143 -10.353 -0.310) 12.043 4.810 ( -10.062 -3.378 0.986) 10.660 5.026 ( 2.473 5.547 -5.632) 8.282 5.273 ( -6.376 -2.553 -12.118) 13.929 5.492 ( 5.237 3.558 0.603) 6.360 5.594 ( 2.448 0.814 -5.368) 5.956 5.747 ( 4.145 -0.281 1.975) 4.600 5.771 ( 12.455 0.723 -4.376) 13.221 5.878 ( 3.702 -5.652 -4.975) 8.391 5.925 ( 3.109 -0.620 -6.519) 7.249 6.004 ( -3.716 -1.905 -7.541) 8.620 6.019 ( 5.034 -4.898 -1.797) 7.250 6.197 ( -7.639 -2.366 -4.078) 8.977 6.265 ( -8.403 -11.368 0.625) 14.150 6.344 ( 0.960 -3.983 -7.109) 8.205 6.432 ( -4.840 -13.814 3.069) 14.955 6.558 ( -2.566 -0.277 -4.325) 5.037 6.717 ( -3.418 -5.215 -2.656) 6.777 6.819 ( 1.275 3.230 -3.873) 5.202 6.970 ( 5.867 -0.411 4.305) 7.289 7.098 ( 2.752 3.276 5.454) 6.932 7.211 ( 1.188 -1.118 2.672) 3.131 7.298 ( 10.939 5.247 -0.931) 12.168 7.323 ( 1.499 0.723 1.300) 2.112 7.408 ( 3.289 3.091 0.931) 4.609 7.436 ( 6.691 5.128 0.827) 8.470 7.586 ( 4.789 3.741 2.705) 6.652 7.612 ( -6.336 3.146 2.574) 7.528 7.716 ( -5.386 8.794 1.908) 10.487 7.770 ( -1.596 5.021 2.133) 5.684 7.893 ( -3.430 7.593 0.422) 8.342 8.000 ( -9.131 8.691 0.146) 12.607 8.073 ( 3.245 2.590 0.878) 4.244 8.091 ( 2.553 2.856 -0.219) 3.837 8.295 ( 0.871 -4.152 -1.345) 4.450 8.347 ( -1.271 -0.201 1.803) 2.216 8.403 ( -0.127 -0.633 -0.486) 0.808 8.514 ( -0.760 2.843 -3.169) 4.325 8.544 ( 0.637 -1.737 0.735) 1.990 8.667 ( -0.232 -0.840 -3.658) 3.761 8.959 ( 0.138 3.626 5.664) 6.727 9.305 ( 11.897 0.918 0.015) 11.932 9.579 ( -4.363 -11.240 1.466) 12.146 9.756 ( -12.015 -7.118 -0.987) 14.000 10.011 ( -1.969 5.141 0.643) 5.542 10.133 ( 1.671 10.220 -0.828) 10.389 10.262 ( -1.464 -0.858 1.431) 2.219 10.405 ( -1.855 3.552 -0.536) 4.043 10.494 ( 2.379 -7.353 1.313) 7.839 10.739 ( 3.882 -0.743 -0.182) 3.956 10.881 ( -8.625 -2.143 -0.966) 8.940 11.158 ( -11.759 -0.992 -3.039) 12.186 12.357 ( 2.016 -1.829 1.194) 2.972 12.403 ( -2.268 -4.033 1.149) 4.768 12.469 ( -1.674 -3.229 -0.658) 3.696 12.543 ( -0.756 -0.525 -0.516) 1.055 13.888 ( -2.340 4.549 0.452) 5.135 13.967 ( -1.256 6.872 -0.648) 7.016 14.414 ( 0.055 -7.608 1.895) 7.841 14.831 ( 3.332 -17.761 -3.622) 18.430 15.354 ( 1.299 3.113 2.029) 3.937 15.812 ( 5.280 13.538 -6.107) 15.762 15.930 ( -0.462 -11.536 -0.641) 11.563 16.180 ( 2.624 -0.336 -3.869) 4.686 18.768 ( 7.303 3.768 -0.385) 8.227 18.822 ( 2.188 -1.367 -1.217) 2.853 18.871 ( -0.708 2.074 -0.987) 2.403 19.083 ( 0.721 -0.279 0.100) 0.780 19.100 ( 0.186 0.061 4.167) 4.171 19.187 ( 1.830 -3.242 -3.140) 4.870 19.547 ( -0.005 0.262 -2.823) 2.836 19.571 ( 0.127 -0.269 -3.005) 3.020 19.723 ( -0.168 0.216 5.089) 5.097 19.747 ( -0.751 -0.368 6.465) 6.519 20.352 ( -0.173 0.333 -4.211) 4.227 20.363 ( -0.309 -0.082 -3.970) 3.983 20.453 ( -3.123 3.198 1.463) 4.703 20.726 ( 1.697 -1.670 0.922) 2.553 20.824 ( -2.449 3.522 -4.685) 6.353 21.059 ( -0.884 0.058 -3.306) 3.423 24.274 ( -0.282 1.446 -1.104) 1.841 24.348 ( -2.338 -0.645 1.269) 2.737 24.429 ( 0.539 2.261 -3.207) 3.961 24.764 ( -4.718 -5.419 -4.507) 8.482 25.098 ( 0.678 3.537 1.276) 3.820 25.297 ( 1.513 4.021 -1.766) 4.645 25.441 ( 1.516 -5.060 1.048) 5.385 25.564 ( 1.074 -1.857 -0.707) 2.258 26.530 ( -1.364 -0.090 9.494) 9.592 26.584 ( 1.122 -1.753 6.778) 7.090 26.662 ( 0.104 1.589 6.101) 6.305 26.754 ( -3.336 -0.935 4.507) 5.685 30.080 ( -0.947 1.269 0.177) 1.593 30.124 ( -0.639 2.762 -0.480) 2.876 30.269 ( 0.019 -2.805 0.163) 2.810 30.308 ( 0.346 -1.585 -0.414) 1.674 35.913 ( 3.395 3.306 3.328) 5.790 36.461 ( 6.014 -8.575 5.018) 11.614 36.671 ( 7.457 -2.085 -7.953) 11.100 37.183 ( 1.661 -12.221 -5.363) 13.449 38.873 ( 0.399 6.737 0.151) 6.751 38.928 ( 0.285 10.924 -0.449) 10.937 39.214 ( -0.549 7.289 0.906) 7.365 39.288 ( -0.002 -3.017 4.270) 5.228 39.429 ( 1.051 -5.740 1.421) 6.006 39.535 ( -0.443 5.709 -3.481) 6.702 39.868 ( 2.443 -4.899 -2.696) 6.102 40.486 ( 4.062 -25.354 -11.478) 28.125 41.751 ( -0.117 15.518 2.020) 15.650 42.305 ( -3.690 37.501 -8.420) 38.611 42.992 ( -1.609 -12.181 4.166) 12.973 43.886 ( -6.495 -8.983 -8.150) 13.759 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 7.572 36.795) 37.566 1.244 ( 0.000 -7.916 32.455) 33.406 1.581 ( 0.000 30.181 3.261) 30.357 1.921 ( 0.000 15.077 14.445) 20.880 2.038 ( 0.000 -4.524 0.647) 4.570 2.144 ( 0.000 16.626 -3.930) 17.084 2.189 ( 0.000 -2.176 4.159) 4.694 2.284 ( 0.000 10.088 0.951) 10.133 2.439 ( 0.000 -4.796 0.278) 4.804 2.470 ( 0.000 3.481 8.187) 8.896 2.560 ( 0.000 -2.926 8.287) 8.788 2.678 ( 0.000 -6.016 2.018) 6.345 2.771 ( 0.000 -0.597 7.647) 7.670 2.780 ( 0.000 -2.756 1.802) 3.293 2.878 ( 0.000 -1.992 15.082) 15.213 2.882 ( 0.000 -3.501 13.958) 14.390 3.552 ( 0.000 5.359 -4.870) 7.241 3.615 ( 0.000 0.259 -1.592) 1.612 4.081 ( 0.000 2.907 1.993) 3.524 4.228 ( 0.000 -9.970 2.195) 10.209 4.422 ( 0.000 8.747 0.221) 8.749 4.540 ( 0.000 -4.087 -0.825) 4.169 5.037 ( 0.000 7.526 -12.938) 14.968 5.167 ( 0.000 -2.788 -5.867) 6.496 5.306 ( 0.000 4.326 -8.844) 9.846 5.423 ( 0.000 -6.141 -3.819) 7.232 5.575 ( 0.000 18.354 -3.902) 18.764 5.756 ( 0.000 2.615 -8.234) 8.639 5.858 ( 0.000 -1.310 -1.922) 2.326 5.924 ( 0.000 -7.959 -4.759) 9.273 6.062 ( 0.000 6.354 -7.856) 10.104 6.159 ( 0.000 13.143 -3.403) 13.577 6.223 ( 0.000 -5.553 -1.137) 5.668 6.440 ( 0.000 -12.876 -1.031) 12.917 6.514 ( 0.000 2.374 -1.487) 2.802 6.546 ( 0.000 -0.806 -6.183) 6.236 6.733 ( 0.000 6.978 -2.638) 7.460 6.843 ( 0.000 2.566 -0.637) 2.644 6.851 ( 0.000 0.608 1.952) 2.045 6.874 ( 0.000 -0.690 0.262) 0.738 6.880 ( 0.000 -1.281 0.252) 1.305 6.939 ( 0.000 -7.617 1.174) 7.707 6.974 ( 0.000 -6.697 2.232) 7.060 7.023 ( 0.000 -4.918 6.091) 7.829 7.137 ( 0.000 3.280 3.730) 4.967 7.389 ( 0.000 -19.937 0.741) 19.951 7.445 ( 0.000 0.681 0.502) 0.846 7.508 ( 0.000 -8.564 3.505) 9.254 7.590 ( 0.000 0.840 1.687) 1.885 7.689 ( 0.000 -11.986 1.229) 12.049 7.870 ( 0.000 4.310 4.530) 6.253 7.939 ( 0.000 -1.205 2.780) 3.030 8.130 ( 0.000 6.981 3.022) 7.607 8.238 ( 0.000 -3.849 2.575) 4.631 8.298 ( 0.000 -0.638 7.407) 7.435 8.348 ( 0.000 -2.465 -0.277) 2.480 8.388 ( 0.000 -0.748 0.680) 1.011 8.393 ( 0.000 -2.260 -0.793) 2.395 8.570 ( 0.000 2.954 -1.034) 3.130 8.635 ( 0.000 -2.988 -2.221) 3.723 9.146 ( 0.000 12.778 1.642) 12.883 9.311 ( 0.000 3.621 -1.045) 3.768 9.377 ( 0.000 -6.981 0.520) 7.001 9.436 ( 0.000 -11.053 -0.416) 11.061 10.246 ( 0.000 10.464 1.847) 10.626 10.353 ( 0.000 3.283 1.726) 3.709 10.485 ( 0.000 4.548 0.664) 4.596 10.591 ( 0.000 -3.825 -0.972) 3.947 10.970 ( 0.000 9.340 0.041) 9.340 11.119 ( 0.000 -3.693 -0.067) 3.693 11.257 ( 0.000 10.272 -4.421) 11.183 11.373 ( 0.000 -1.135 -3.971) 4.130 12.368 ( 0.000 1.607 1.101) 1.948 12.409 ( 0.000 -2.388 1.116) 2.635 12.645 ( 0.000 8.505 -2.377) 8.831 12.860 ( 0.000 -10.492 -8.687) 13.622 14.211 ( 0.000 0.455 0.238) 0.513 14.248 ( 0.000 -3.188 0.290) 3.201 14.439 ( 0.000 1.963 -3.182) 3.738 14.485 ( 0.000 -1.413 -7.081) 7.221 15.584 ( 0.000 8.042 -0.997) 8.104 15.667 ( 0.000 6.858 -5.947) 9.077 15.712 ( 0.000 -3.866 -1.277) 4.071 15.830 ( 0.000 -9.244 -2.235) 9.510 18.368 ( 0.000 4.574 0.737) 4.633 18.461 ( 0.000 -4.301 0.568) 4.339 18.501 ( 0.000 3.104 -1.395) 3.403 18.557 ( 0.000 -2.143 -1.153) 2.433 19.090 ( 0.000 0.062 3.698) 3.698 19.093 ( 0.000 -0.176 3.555) 3.559 19.553 ( 0.000 0.115 -3.183) 3.185 19.555 ( 0.000 -0.122 -3.195) 3.197 19.743 ( 0.000 0.743 5.982) 6.028 19.774 ( 0.000 -2.721 8.051) 8.499 20.363 ( 0.000 0.314 -3.255) 3.270 20.372 ( 0.000 -0.540 -3.869) 3.907 20.655 ( 0.000 1.700 2.965) 3.418 20.694 ( 0.000 -2.011 1.683) 2.622 20.962 ( 0.000 6.694 -2.252) 7.063 21.095 ( 0.000 -5.964 -3.578) 6.955 24.387 ( 0.000 3.804 -2.121) 4.355 24.475 ( 0.000 -4.790 -1.289) 4.960 24.658 ( 0.000 12.640 -4.158) 13.306 24.909 ( 0.000 -10.221 -3.832) 10.916 25.141 ( 0.000 0.710 1.213) 1.405 25.156 ( 0.000 -0.957 1.442) 1.731 25.319 ( 0.000 1.841 -1.797) 2.572 25.371 ( 0.000 -3.976 -3.812) 5.509 26.522 ( 0.000 3.598 11.618) 12.163 26.677 ( 0.000 -13.582 23.844) 27.441 26.762 ( 0.000 4.365 3.483) 5.584 26.863 ( 0.000 -5.546 7.606) 9.413 30.185 ( 0.000 2.053 0.087) 2.055 30.208 ( 0.000 2.127 -0.266) 2.144 30.227 ( 0.000 -2.005 0.066) 2.006 30.252 ( 0.000 -2.012 -0.305) 2.035 35.705 ( 0.000 6.020 0.860) 6.081 35.837 ( 0.000 -6.552 0.470) 6.568 35.857 ( 0.000 5.854 -1.339) 6.006 35.983 ( 0.000 -6.032 -1.586) 6.237 38.996 ( 0.000 9.030 0.641) 9.053 39.047 ( 0.000 6.480 0.809) 6.531 39.155 ( 0.000 -5.372 1.960) 5.719 39.191 ( 0.000 -8.142 1.020) 8.206 39.501 ( 0.000 4.122 -1.934) 4.553 39.590 ( 0.000 -4.293 -1.563) 4.568 39.647 ( 0.000 4.778 -3.395) 5.862 39.741 ( 0.000 -4.280 -3.288) 5.397 42.180 ( 0.000 23.322 5.508) 23.964 42.641 ( 0.000 -20.437 7.591) 21.802 44.109 ( 0.000 21.777 -39.412) 45.028 44.387 ( 0.000 -8.152 -21.680) 23.162 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.14 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.846 7.228 35.165) 36.547 1.314 ( 6.493 -8.518 31.803) 33.558 1.647 ( 7.730 25.427 3.169) 26.764 1.901 ( -0.284 13.814 13.899) 19.599 2.057 ( -0.338 -5.423 -0.304) 5.442 2.160 ( 2.772 -2.587 -1.741) 4.172 2.319 ( 8.177 -2.734 7.487) 11.418 2.399 ( -4.883 3.929 7.716) 9.941 2.416 ( 5.246 -0.906 3.193) 6.208 2.515 ( -1.465 -5.303 5.173) 7.552 2.588 ( 14.926 13.833 2.808) 20.543 2.726 ( 5.194 3.283 2.707) 6.715 2.822 ( 6.192 -1.267 3.995) 7.477 2.831 ( 6.222 -3.815 1.365) 7.425 2.970 ( 10.314 0.891 10.511) 14.753 3.022 ( 9.425 -5.028 11.271) 15.529 3.499 ( -9.646 9.009 2.654) 13.463 3.597 ( 1.980 2.154 -1.824) 3.448 3.918 ( -14.323 -4.744 2.253) 15.256 3.965 ( -6.386 -6.448 0.448) 9.086 4.723 ( 16.162 7.827 -1.695) 18.038 4.809 ( 18.980 -1.037 -2.965) 19.238 4.995 ( -2.873 7.252 -10.852) 13.365 5.165 ( -1.136 -6.657 -7.690) 10.234 5.348 ( 4.084 4.619 -7.694) 9.859 5.454 ( 2.562 -5.331 -3.522) 6.884 5.634 ( 2.296 13.751 -2.251) 14.122 5.722 ( -4.004 3.458 -4.641) 7.038 5.808 ( -1.325 -1.117 -3.341) 3.764 5.880 ( -2.804 -4.791 -6.746) 8.736 6.033 ( -2.559 6.399 -4.493) 8.227 6.094 ( -4.948 9.551 -1.909) 10.925 6.202 ( -1.262 -5.502 -0.162) 5.647 6.355 ( -7.621 -12.468 -0.075) 14.613 6.460 ( -5.175 1.542 -3.660) 6.523 6.494 ( -3.820 -1.236 -5.483) 6.796 6.699 ( -2.173 5.227 -1.729) 5.919 6.817 ( -2.794 -2.113 -0.855) 3.606 6.884 ( 0.991 1.289 -1.011) 1.914 6.907 ( -0.137 -2.174 2.486) 3.306 6.949 ( 4.440 0.309 0.938) 4.549 6.954 ( 5.070 -1.508 0.471) 5.311 7.040 ( 6.581 -1.116 1.802) 6.914 7.122 ( 7.506 -3.674 4.130) 9.321 7.197 ( 6.986 1.178 4.152) 8.212 7.362 ( -0.257 -9.591 2.268) 9.859 7.513 ( 5.459 -7.698 -1.027) 9.493 7.536 ( 3.564 -5.980 -0.459) 6.976 7.617 ( 3.493 0.604 0.794) 3.633 7.741 ( 4.317 -10.950 0.365) 11.776 7.842 ( -1.864 3.933 5.655) 7.136 7.921 ( -1.792 -3.582 5.688) 6.957 8.129 ( -0.858 4.405 1.285) 4.668 8.165 ( -4.081 0.305 0.007) 4.092 8.313 ( -0.835 1.412 4.874) 5.143 8.376 ( 1.834 -2.980 0.899) 3.613 8.385 ( -0.772 -1.654 0.851) 2.014 8.390 ( 0.187 -1.401 -0.449) 1.483 8.577 ( 0.613 2.526 -1.384) 2.945 8.635 ( 0.108 -2.754 -2.605) 3.793 9.213 ( 4.972 11.476 1.669) 12.618 9.238 ( -2.167 5.952 0.828) 6.388 9.429 ( 3.047 -4.417 0.557) 5.395 9.573 ( 8.850 -14.462 -0.730) 16.971 10.215 ( -2.383 6.884 1.578) 7.454 10.303 ( -4.032 -0.314 1.437) 4.292 10.447 ( -4.078 6.437 0.191) 7.623 10.500 ( -5.822 4.641 -1.344) 7.566 10.905 ( -6.300 8.738 0.701) 10.795 10.948 ( -11.186 4.365 -0.051) 12.008 11.345 ( -6.017 -2.611 -3.066) 7.240 11.372 ( 4.781 -5.835 -4.185) 8.626 12.371 ( 0.304 1.179 0.705) 1.407 12.401 ( -0.812 -1.675 0.975) 2.101 12.583 ( -5.810 6.592 -2.100) 9.034 12.729 ( -12.629 -6.839 -5.984) 15.559 14.160 ( -3.768 3.549 0.406) 5.192 14.233 ( -3.786 -1.597 -0.088) 4.110 14.373 ( -4.741 -0.561 -2.465) 5.373 14.421 ( -1.900 -4.088 -3.044) 5.440 15.554 ( -5.170 10.433 -0.357) 11.649 15.680 ( 6.178 7.399 -4.454) 10.619 15.767 ( -2.724 -8.228 -1.305) 8.765 15.825 ( 7.358 -8.226 -2.223) 11.258 18.499 ( 8.683 5.003 -0.382) 10.029 18.583 ( 8.355 -3.161 -0.338) 8.940 18.633 ( 11.797 1.791 -3.256) 12.368 18.689 ( 14.367 -3.622 -3.359) 15.192 19.092 ( 0.220 0.105 3.708) 3.716 19.096 ( 0.341 -0.256 3.660) 3.685 19.553 ( 0.009 0.209 -3.132) 3.139 19.557 ( 0.165 -0.221 -3.165) 3.177 19.741 ( -0.224 0.686 5.904) 5.948 19.767 ( -0.677 -2.151 7.648) 7.973 20.362 ( -0.152 0.325 -3.386) 3.405 20.370 ( -0.185 -0.515 -3.915) 3.953 20.656 ( -0.300 2.091 2.262) 3.095 20.705 ( 0.369 -2.429 1.123) 2.701 20.937 ( -1.689 6.192 -2.549) 6.906 21.064 ( -2.588 -5.645 -3.326) 7.045 24.369 ( -1.685 3.360 -1.731) 4.138 24.445 ( -2.861 -3.976 -0.943) 4.988 24.629 ( -2.867 11.414 -3.991) 12.427 24.867 ( -4.470 -10.737 -4.346) 12.416 25.136 ( 0.415 2.659 1.625) 3.143 25.189 ( 2.739 -2.129 1.273) 3.696 25.326 ( 1.205 2.763 -1.681) 3.451 25.400 ( 2.514 -4.374 -2.779) 5.760 26.521 ( 0.071 2.466 10.543) 10.828 26.625 ( -4.090 -8.445 19.818) 21.927 26.750 ( -1.222 3.619 3.926) 5.477 26.839 ( -2.300 -4.789 6.826) 8.649 30.176 ( -0.923 2.139 0.117) 2.333 30.204 ( -0.443 1.838 -0.256) 1.908 30.225 ( -0.297 -1.970 0.019) 1.992 30.251 ( -0.019 -2.044 -0.327) 2.070 35.760 ( 4.973 5.249 1.758) 7.442 35.856 ( 8.939 -3.819 1.932) 9.911 36.133 ( 15.761 0.457 -3.405) 16.131 36.232 ( 24.235 -9.077 -3.562) 26.123 39.007 ( 1.063 9.230 0.674) 9.316 39.059 ( 1.152 6.391 0.886) 6.555 39.168 ( 1.154 -5.074 2.102) 5.612 39.205 ( 1.360 -8.378 1.066) 8.554 39.479 ( -1.550 6.535 -1.605) 6.905 39.602 ( 1.346 -4.354 -1.793) 4.897 39.671 ( 2.034 4.984 -3.505) 6.423 39.809 ( 6.098 -8.106 -4.382) 11.050 42.177 ( -0.327 23.125 5.190) 23.703 42.630 ( -0.960 -19.690 7.073) 20.944 43.853 ( -22.750 26.409 -30.719) 46.462 44.220 ( -15.734 -11.612 -19.074) 27.317 ======================= Grid point 51 (23/48) ======================= q-point: ( 0.29 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.098 6.285 31.519) 33.689 1.472 ( 9.085 -8.107 28.276) 30.786 1.855 ( 10.474 13.140 3.654) 17.196 1.956 ( 7.135 13.519 10.692) 18.654 2.040 ( -0.382 0.194 -1.262) 1.333 2.227 ( -2.537 -1.582 5.523) 6.280 2.275 ( -0.217 -4.524 5.017) 6.759 2.335 ( -7.223 -6.944 13.213) 16.583 2.450 ( 1.475 -1.602 4.440) 4.945 2.503 ( 1.186 -5.591 8.590) 10.318 2.856 ( 1.567 6.137 1.422) 6.491 2.939 ( 12.604 6.308 0.699) 14.112 2.958 ( 4.009 -3.025 1.781) 5.329 3.031 ( 12.010 -0.488 -0.943) 12.057 3.114 ( 5.253 6.372 6.880) 10.748 3.185 ( 8.878 0.013 4.292) 9.861 3.387 ( 3.045 5.588 4.107) 7.574 3.578 ( -6.675 -11.944 4.386) 14.369 3.786 ( 7.816 11.788 -0.090) 14.144 4.024 ( 9.318 -10.912 1.822) 14.464 4.776 ( -9.990 12.750 -7.946) 18.042 4.966 ( -7.201 -3.944 -5.331) 9.790 5.077 ( 4.373 3.486 -5.863) 8.103 5.192 ( 7.046 -7.496 -8.261) 13.193 5.434 ( 5.811 4.828 -1.494) 7.701 5.523 ( 5.247 -3.398 -1.448) 6.417 5.584 ( -0.893 7.630 -2.721) 8.149 5.718 ( 2.999 -3.326 -5.787) 7.318 5.831 ( 2.324 2.782 -2.105) 4.192 5.868 ( -0.962 0.894 -3.051) 3.322 5.962 ( -2.475 1.709 -2.140) 3.691 6.021 ( -3.853 0.727 -4.483) 5.956 6.176 ( -4.254 -9.778 0.983) 10.709 6.200 ( -4.979 -8.546 2.069) 10.105 6.344 ( -6.124 2.724 -5.770) 8.844 6.408 ( -4.778 -2.977 -6.864) 8.877 6.642 ( -3.930 3.111 -2.622) 5.657 6.732 ( -6.013 -4.461 -2.131) 7.784 6.873 ( -0.320 2.056 -0.616) 2.170 6.901 ( 0.647 -0.400 0.190) 0.784 7.049 ( 5.291 0.453 2.160) 5.732 7.075 ( 5.175 -2.678 1.488) 6.014 7.224 ( 10.453 7.062 0.287) 12.618 7.267 ( 7.711 0.545 4.573) 8.981 7.358 ( 8.472 5.759 6.136) 11.941 7.442 ( 9.227 8.364 -0.319) 12.458 7.570 ( 0.627 -1.657 -1.579) 2.373 7.612 ( 1.895 -5.004 -0.808) 5.411 7.783 ( 10.169 -4.222 1.654) 11.134 7.805 ( 2.642 -1.708 4.530) 5.515 7.884 ( 8.705 -4.461 3.267) 10.313 7.954 ( 7.021 -10.130 0.396) 12.332 8.074 ( -3.211 3.375 -1.298) 4.836 8.117 ( -1.326 -1.077 -0.038) 1.708 8.268 ( -3.139 5.589 3.505) 7.306 8.354 ( -2.151 -2.176 1.125) 3.260 8.389 ( 0.386 -0.262 -0.301) 0.556 8.418 ( 1.959 -3.394 0.360) 3.935 8.589 ( 0.546 2.573 -2.382) 3.549 8.639 ( 0.238 -2.216 -2.996) 3.734 9.191 ( -2.893 10.436 2.663) 11.152 9.313 ( 3.501 8.031 1.418) 8.875 9.446 ( -2.642 -4.291 1.257) 5.194 9.666 ( -0.728 -15.524 -0.843) 15.564 10.167 ( -2.581 4.781 1.102) 5.544 10.246 ( -1.221 -2.553 1.089) 3.032 10.382 ( -2.090 4.605 -0.533) 5.085 10.407 ( -3.468 6.484 -1.149) 7.442 10.719 ( -10.903 9.669 0.781) 14.594 10.786 ( -5.146 7.793 -0.171) 9.340 11.088 ( -18.925 -3.296 -1.442) 19.263 11.317 ( -11.631 -16.233 -4.281) 20.424 12.378 ( -1.394 2.386 0.569) 2.821 12.383 ( 0.763 0.168 0.502) 0.929 12.451 ( -7.190 -1.928 -0.937) 7.503 12.508 ( -5.055 -2.637 -0.857) 5.766 14.084 ( -3.749 7.171 0.575) 8.112 14.166 ( -1.303 6.086 -0.241) 6.228 14.292 ( -3.953 -4.623 -0.275) 6.089 14.437 ( 1.985 -12.542 -2.032) 12.860 15.481 ( -1.478 9.785 1.528) 10.013 15.703 ( -2.188 -11.202 0.544) 11.426 15.862 ( 10.539 7.904 -4.947) 14.072 16.003 ( 8.992 -5.716 -3.914) 11.351 18.673 ( 8.620 3.532 -0.165) 9.316 18.722 ( 6.045 -1.500 -0.803) 6.280 18.859 ( 8.824 3.478 -3.301) 10.043 18.946 ( 9.573 -4.715 -6.137) 12.310 19.098 ( 0.353 0.230 3.833) 3.856 19.107 ( 0.733 -0.680 3.702) 3.835 19.553 ( 0.060 0.346 -3.002) 3.022 19.561 ( 0.193 -0.361 -3.059) 3.086 19.735 ( -0.354 0.530 5.691) 5.727 19.751 ( -0.867 -1.101 6.760) 6.904 20.358 ( -0.139 0.283 -3.706) 3.719 20.366 ( -0.289 -0.394 -4.022) 4.052 20.615 ( -4.033 3.503 1.398) 5.522 20.687 ( -1.999 -3.019 1.252) 3.831 20.925 ( 0.434 5.160 -3.840) 6.447 21.029 ( -0.468 -4.318 -3.549) 5.608 24.332 ( -1.810 2.315 -0.851) 3.059 24.380 ( -3.311 -2.353 -0.241) 4.069 24.559 ( -3.746 8.387 -3.724) 9.912 24.746 ( -7.042 -9.201 -4.394) 12.392 25.162 ( 1.888 4.521 1.510) 5.127 25.255 ( 3.681 -3.873 1.334) 5.507 25.366 ( 2.405 3.529 -1.560) 4.547 25.455 ( 2.849 -4.407 -1.875) 5.572 26.529 ( 0.695 0.479 8.435) 8.477 26.560 ( -2.114 -2.525 13.143) 13.549 26.719 ( -1.682 2.791 4.271) 5.373 26.783 ( -3.184 -3.218 5.476) 7.105 30.150 ( -1.565 2.589 0.213) 3.032 30.194 ( -0.462 1.849 -0.299) 1.929 30.214 ( -0.756 -2.131 -0.012) 2.261 30.254 ( 0.333 -2.500 -0.464) 2.564 35.900 ( 8.229 6.942 3.098) 11.203 36.072 ( 11.363 -9.229 3.584) 15.071 36.467 ( 16.398 5.654 -4.972) 18.044 36.676 ( 18.368 -14.577 -5.375) 24.057 39.032 ( 1.307 9.697 0.766) 9.814 39.084 ( 1.176 6.212 1.105) 6.418 39.191 ( 1.012 -4.690 2.525) 5.422 39.238 ( 1.713 -9.054 1.183) 9.290 39.459 ( -0.370 10.730 -1.601) 10.855 39.645 ( 2.857 -3.580 -2.475) 5.206 39.712 ( 1.854 4.820 -3.859) 6.447 39.939 ( 6.308 -14.673 -5.925) 17.035 42.170 ( -0.339 22.902 4.469) 23.336 42.615 ( -0.320 -18.443 5.818) 19.341 43.381 ( -22.427 29.767 -17.537) 41.190 43.862 ( -18.390 -17.263 -13.532) 28.624 ======================= Grid point 52 (24/48) ======================= q-point: ( 0.43 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 7.466 4.976 27.184) 28.627 1.626 ( 4.904 -6.219 24.738) 25.975 1.952 ( 0.031 6.912 10.955) 12.953 2.042 ( 0.561 0.443 0.474) 0.857 2.109 ( 0.816 3.457 7.288) 8.108 2.173 ( -4.096 -3.280 10.456) 11.699 2.198 ( 6.702 6.837 4.748) 10.686 2.322 ( -0.703 -2.535 1.131) 2.863 2.487 ( 0.265 0.948 3.871) 3.995 2.519 ( 0.494 -3.247 9.242) 9.809 2.734 ( -5.287 3.486 14.362) 15.696 2.905 ( -4.885 -10.660 6.317) 13.319 3.069 ( 2.791 10.164 0.604) 10.557 3.240 ( 5.777 -4.958 -0.425) 7.625 3.294 ( 6.313 3.927 -1.228) 7.535 3.322 ( 4.852 1.407 0.187) 5.055 3.468 ( 2.842 0.882 -0.804) 3.083 3.505 ( -1.275 -2.761 -0.682) 3.117 4.068 ( 18.572 10.677 2.435) 21.560 4.281 ( 14.007 -7.127 5.112) 16.526 4.484 ( -16.362 6.795 -3.964) 18.155 4.678 ( -17.989 -9.040 -0.338) 20.136 5.133 ( 1.365 4.701 -9.717) 10.880 5.215 ( -1.463 -3.260 -11.509) 12.051 5.557 ( 3.580 2.630 -1.404) 4.658 5.595 ( 2.771 -0.100 -2.634) 3.824 5.716 ( 9.138 -0.900 1.249) 9.267 5.757 ( 0.194 -4.955 -0.360) 4.972 5.837 ( -0.089 0.226 -2.005) 2.020 5.875 ( -5.468 -5.661 0.083) 7.871 5.905 ( -1.435 1.267 -4.427) 4.823 5.963 ( 1.893 -2.268 -6.653) 7.280 6.090 ( -2.142 -0.371 1.020) 2.401 6.161 ( -0.194 -6.246 2.154) 6.609 6.261 ( -1.992 2.277 -8.082) 8.630 6.323 ( -3.260 -3.003 -8.184) 9.308 6.558 ( -3.508 0.615 -3.838) 5.236 6.606 ( -5.177 -4.448 -2.855) 7.398 6.879 ( 0.208 2.518 -4.474) 5.138 6.930 ( 1.423 -2.550 -0.605) 2.982 7.134 ( 3.235 0.776 6.148) 6.991 7.157 ( 2.749 -1.890 5.993) 6.859 7.299 ( -0.004 0.575 2.890) 2.946 7.340 ( -0.847 -3.071 3.262) 4.560 7.517 ( 3.474 5.370 -3.581) 7.330 7.551 ( 0.663 0.629 -1.470) 1.731 7.694 ( 8.351 7.862 4.546) 12.338 7.743 ( 11.997 8.862 1.914) 15.037 7.849 ( 2.774 4.575 3.443) 6.362 7.922 ( -0.629 5.089 3.227) 6.059 7.969 ( 0.547 1.347 -1.615) 2.173 8.053 ( 5.893 -2.971 -2.632) 7.105 8.143 ( 1.866 1.772 -1.498) 2.978 8.186 ( 7.921 -4.843 -0.098) 9.285 8.219 ( -1.113 6.570 2.212) 7.022 8.321 ( -0.758 -2.893 1.844) 3.514 8.400 ( 0.768 0.967 -0.199) 1.251 8.462 ( 2.042 -4.541 1.923) 5.337 8.597 ( 0.195 3.207 -2.984) 4.385 8.643 ( 0.208 -1.592 -3.087) 3.480 9.101 ( -4.913 10.440 3.435) 12.038 9.335 ( -2.378 -9.801 2.065) 10.294 9.368 ( -0.716 3.940 -0.397) 4.024 9.552 ( -8.227 -11.064 -0.787) 13.810 10.128 ( -1.104 6.187 0.907) 6.350 10.244 ( 0.611 -3.515 1.540) 3.886 10.351 ( -0.314 3.357 -0.949) 3.503 10.371 ( -1.678 5.144 -0.806) 5.470 10.571 ( -2.209 6.400 0.318) 6.778 10.729 ( -14.064 -5.076 0.500) 14.960 10.761 ( 2.578 1.903 -1.982) 3.768 11.014 ( -14.329 -13.401 -2.783) 19.816 12.353 ( -0.521 2.561 0.740) 2.716 12.376 ( -0.703 0.087 1.319) 1.497 12.412 ( 1.111 -1.045 -0.054) 1.526 12.481 ( 0.062 -5.221 -0.211) 5.226 14.031 ( -1.493 8.888 0.666) 9.037 14.160 ( 0.081 11.137 -0.952) 11.178 14.232 ( -1.775 -8.671 0.894) 8.896 14.464 ( 0.623 -16.766 -2.104) 16.909 15.481 ( 0.590 8.199 2.612) 8.625 15.680 ( -0.473 -11.284 1.649) 11.414 16.030 ( 5.181 7.425 -5.825) 10.766 16.138 ( 4.019 -3.545 -4.902) 7.263 18.802 ( 3.442 -0.155 -0.277) 3.456 18.803 ( 2.466 -0.190 -0.772) 2.591 18.959 ( 2.047 5.648 -3.269) 6.839 19.058 ( 2.577 -3.088 -3.839) 5.560 19.103 ( 0.073 0.224 4.046) 4.053 19.119 ( 0.359 -2.135 2.497) 3.305 19.555 ( 0.040 0.439 -2.859) 2.893 19.564 ( 0.095 -0.445 -2.927) 2.962 19.729 ( -0.181 0.393 5.509) 5.526 19.738 ( -0.374 -0.482 6.037) 6.068 20.357 ( -0.009 0.162 -4.061) 4.064 20.360 ( -0.202 -0.177 -4.038) 4.047 20.540 ( -2.460 5.021 1.669) 5.835 20.646 ( -1.519 -5.047 1.675) 5.530 20.940 ( 0.629 6.036 -4.898) 7.799 21.034 ( 0.386 -2.870 -4.247) 5.141 24.307 ( -0.630 1.506 -0.376) 1.675 24.332 ( -1.335 -0.955 0.358) 1.680 24.505 ( -1.462 5.192 -3.661) 6.519 24.633 ( -3.614 -6.887 -4.016) 8.753 25.193 ( 0.974 5.483 1.303) 5.720 25.314 ( 1.855 -5.966 1.338) 6.389 25.401 ( 0.959 4.868 -1.889) 5.309 25.499 ( 1.338 -4.273 -1.487) 4.718 26.533 ( -0.221 0.489 8.272) 8.289 26.551 ( 0.577 -1.301 7.374) 7.510 26.695 ( -0.509 1.645 5.027) 5.314 26.728 ( -2.009 -1.512 4.609) 5.251 30.125 ( -0.757 3.091 0.298) 3.196 30.190 ( 0.005 2.517 -0.492) 2.564 30.200 ( -0.599 -2.780 0.113) 2.846 30.260 ( 0.181 -3.026 -0.618) 3.093 36.029 ( 3.867 8.318 3.900) 9.968 36.242 ( 4.941 -11.713 4.478) 13.478 36.705 ( 6.754 6.151 -5.803) 10.823 36.909 ( 5.644 -12.941 -5.001) 14.977 39.051 ( 0.571 10.083 0.858) 10.136 39.100 ( 0.393 6.037 1.336) 6.195 39.204 ( 0.286 -4.689 2.928) 5.535 39.263 ( 0.756 -9.736 1.330) 9.856 39.460 ( 0.205 14.136 -1.979) 14.275 39.701 ( 2.519 0.668 -3.486) 4.353 39.730 ( -0.195 1.148 -3.825) 3.998 40.029 ( 2.516 -18.866 -6.727) 20.187 42.165 ( -0.147 23.060 3.875) 23.384 42.624 ( 0.954 -20.017 4.748) 20.595 43.056 ( -9.484 31.072 -10.442) 34.124 43.590 ( -7.835 -20.344 -9.558) 23.804 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 0.000 14.907) 14.907 0.746 ( 0.000 0.000 17.147) 17.147 1.241 ( 0.000 0.000 -14.035) 14.035 1.363 ( 0.000 0.000 -10.739) 10.739 1.884 ( 0.000 0.000 37.271) 37.271 2.065 ( 0.000 0.000 22.790) 22.790 2.177 ( 0.000 0.000 27.594) 27.594 2.487 ( 0.000 0.000 4.560) 4.560 2.594 ( 0.000 0.000 6.777) 6.777 2.652 ( 0.000 0.000 -2.812) 2.812 2.754 ( 0.000 0.000 -5.595) 5.595 2.789 ( 0.000 0.000 6.457) 6.457 2.833 ( 0.000 0.000 -4.210) 4.210 3.161 ( 0.000 0.000 23.710) 23.710 3.197 ( 0.000 0.000 -7.349) 7.349 3.370 ( 0.000 0.000 18.568) 18.568 3.455 ( 0.000 0.000 10.179) 10.179 3.602 ( 0.000 0.000 3.789) 3.789 4.067 ( 0.000 0.000 -8.450) 8.450 4.096 ( 0.000 0.000 7.352) 7.352 4.246 ( 0.000 0.000 -14.260) 14.260 4.518 ( 0.000 0.000 -17.783) 17.783 4.870 ( 0.000 0.000 -1.257) 1.257 4.896 ( 0.000 0.000 -2.443) 2.443 5.199 ( 0.000 0.000 -0.673) 0.673 5.227 ( 0.000 0.000 0.375) 0.375 5.316 ( 0.000 0.000 -7.765) 7.765 5.409 ( 0.000 0.000 -10.285) 10.285 5.796 ( 0.000 0.000 0.828) 0.828 5.883 ( 0.000 0.000 -2.681) 2.681 5.915 ( 0.000 0.000 3.358) 3.358 6.058 ( 0.000 0.000 -4.181) 4.181 6.257 ( 0.000 0.000 -8.322) 8.322 6.300 ( 0.000 0.000 -12.662) 12.662 6.461 ( 0.000 0.000 3.252) 3.252 6.529 ( 0.000 0.000 -1.862) 1.862 6.574 ( 0.000 0.000 0.004) 0.004 6.680 ( 0.000 0.000 -4.432) 4.432 6.884 ( 0.000 0.000 2.725) 2.725 6.890 ( 0.000 0.000 2.795) 2.795 6.969 ( 0.000 0.000 0.968) 0.968 7.074 ( 0.000 0.000 -0.196) 0.196 7.177 ( 0.000 0.000 3.162) 3.162 7.332 ( 0.000 0.000 -1.085) 1.085 7.352 ( 0.000 0.000 -1.053) 1.053 7.376 ( 0.000 0.000 -5.123) 5.123 7.659 ( 0.000 0.000 3.932) 3.932 7.736 ( 0.000 0.000 0.532) 0.532 7.738 ( 0.000 0.000 8.032) 8.032 7.847 ( 0.000 0.000 4.443) 4.443 7.984 ( 0.000 0.000 9.443) 9.443 8.272 ( 0.000 0.000 -2.227) 2.227 8.275 ( 0.000 0.000 4.167) 4.167 8.311 ( 0.000 0.000 -4.707) 4.707 8.312 ( 0.000 0.000 -3.491) 3.491 8.417 ( 0.000 0.000 1.840) 1.840 8.629 ( 0.000 0.000 -3.212) 3.212 8.656 ( 0.000 0.000 -1.475) 1.475 8.748 ( 0.000 0.000 14.025) 14.025 8.932 ( 0.000 0.000 3.280) 3.280 9.045 ( 0.000 0.000 -1.730) 1.730 9.549 ( 0.000 0.000 -19.386) 19.386 9.705 ( 0.000 0.000 3.898) 3.898 9.784 ( 0.000 0.000 -0.271) 0.271 9.935 ( 0.000 0.000 0.218) 0.218 9.935 ( 0.000 0.000 0.225) 0.225 9.950 ( 0.000 0.000 1.804) 1.804 10.117 ( 0.000 0.000 -4.488) 4.488 10.756 ( 0.000 0.000 1.280) 1.280 10.835 ( 0.000 0.000 -2.111) 2.111 11.099 ( 0.000 0.000 3.385) 3.385 11.284 ( 0.000 0.000 -4.819) 4.819 12.336 ( 0.000 0.000 0.333) 0.333 12.352 ( 0.000 0.000 -0.372) 0.372 12.499 ( 0.000 0.000 0.703) 0.703 12.505 ( 0.000 0.000 0.559) 0.559 14.238 ( 0.000 0.000 0.499) 0.499 14.266 ( 0.000 0.000 -0.687) 0.687 14.377 ( 0.000 0.000 0.536) 0.536 14.413 ( 0.000 0.000 -1.057) 1.057 15.389 ( 0.000 0.000 0.021) 0.021 15.391 ( 0.000 0.000 -0.041) 0.041 15.820 ( 0.000 0.000 2.835) 2.835 15.987 ( 0.000 0.000 -4.192) 4.192 18.280 ( 0.000 0.000 1.521) 1.521 18.371 ( 0.000 0.000 -2.462) 2.462 18.563 ( 0.000 0.000 0.473) 0.473 18.585 ( 0.000 0.000 -0.456) 0.456 19.194 ( 0.000 0.000 5.745) 5.745 19.198 ( 0.000 0.000 5.827) 5.827 19.456 ( 0.000 0.000 -5.556) 5.556 19.463 ( 0.000 0.000 -5.616) 5.616 19.878 ( 0.000 0.000 8.386) 8.386 20.095 ( 0.000 0.000 3.916) 3.916 20.254 ( 0.000 0.000 -7.859) 7.859 20.285 ( 0.000 0.000 -4.247) 4.247 20.748 ( 0.000 0.000 7.521) 7.521 20.756 ( 0.000 0.000 0.270) 0.270 20.776 ( 0.000 0.000 -0.610) 0.610 21.090 ( 0.000 0.000 -7.182) 7.182 24.268 ( 0.000 0.000 -1.310) 1.310 24.298 ( 0.000 0.000 -2.775) 2.775 24.828 ( 0.000 0.000 8.487) 8.487 25.015 ( 0.000 0.000 1.294) 1.294 25.118 ( 0.000 0.000 -0.654) 0.654 25.218 ( 0.000 0.000 0.754) 0.754 25.245 ( 0.000 0.000 -0.426) 0.426 25.330 ( 0.000 0.000 -11.431) 11.431 26.586 ( 0.000 0.000 4.843) 4.843 26.683 ( 0.000 0.000 0.418) 0.418 27.410 ( 0.000 0.000 21.680) 21.680 28.324 ( 0.000 0.000 -18.449) 18.449 30.138 ( 0.000 0.000 0.204) 0.204 30.151 ( 0.000 0.000 -0.337) 0.337 30.272 ( 0.000 0.000 0.322) 0.322 30.290 ( 0.000 0.000 -0.460) 0.460 35.600 ( 0.000 0.000 1.859) 1.859 35.689 ( 0.000 0.000 -1.971) 1.971 35.959 ( 0.000 0.000 2.471) 2.471 36.080 ( 0.000 0.000 -2.776) 2.776 38.740 ( 0.000 0.000 0.533) 0.533 38.763 ( 0.000 0.000 -0.474) 0.474 39.289 ( 0.000 0.000 3.472) 3.472 39.346 ( 0.000 0.000 4.478) 4.478 39.416 ( 0.000 0.000 1.403) 1.403 39.456 ( 0.000 0.000 -3.716) 3.716 39.656 ( 0.000 0.000 -1.416) 1.416 39.746 ( 0.000 0.000 -5.263) 5.263 41.609 ( 0.000 0.000 1.547) 1.547 41.683 ( 0.000 0.000 -1.639) 1.639 43.350 ( 0.000 0.000 15.806) 15.806 44.174 ( 0.000 0.000 -19.819) 19.819 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 27.352 0.000 8.360) 28.601 1.390 ( 15.059 0.000 -10.653) 18.445 1.520 ( 46.162 0.000 9.671) 47.164 1.860 ( 31.818 0.000 -1.337) 31.846 1.954 ( 10.996 0.000 32.659) 34.461 2.092 ( 6.347 0.000 20.097) 21.075 2.221 ( 6.599 0.000 21.937) 22.908 2.534 ( -4.128 0.000 6.214) 7.460 2.564 ( 6.763 0.000 3.066) 7.426 2.662 ( -0.969 0.000 0.772) 1.239 2.762 ( -1.990 0.000 7.335) 7.600 2.791 ( 4.886 0.000 -7.275) 8.764 2.814 ( -1.279 0.000 -2.613) 2.910 3.186 ( -0.925 0.000 -4.337) 4.435 3.205 ( 4.361 0.000 22.682) 23.098 3.369 ( 0.646 0.000 15.617) 15.630 3.387 ( -17.109 0.000 6.785) 18.406 3.444 ( -1.276 0.000 5.996) 6.131 4.058 ( -1.642 0.000 2.363) 2.877 4.161 ( 8.049 0.000 -10.723) 13.408 4.380 ( -9.585 0.000 -5.226) 10.917 4.466 ( 15.671 0.000 -11.751) 19.587 4.870 ( -0.237 0.000 -3.260) 3.268 4.993 ( 6.425 0.000 -11.803) 13.438 5.257 ( 5.753 0.000 0.163) 5.755 5.327 ( 9.834 0.000 1.011) 9.886 5.330 ( 2.039 0.000 -5.600) 5.959 5.468 ( 5.349 0.000 -6.964) 8.781 5.766 ( -5.094 0.000 1.038) 5.199 5.886 ( 0.080 0.000 -2.937) 2.938 5.888 ( 1.069 0.000 3.026) 3.209 5.991 ( -6.358 0.000 -3.083) 7.066 6.234 ( -2.123 0.000 -7.877) 8.158 6.235 ( -5.439 0.000 -9.805) 11.212 6.428 ( -2.108 0.000 1.529) 2.604 6.492 ( -5.439 0.000 -1.766) 5.718 6.537 ( 0.520 0.000 -1.947) 2.015 6.659 ( -1.461 0.000 -5.984) 6.160 6.905 ( 0.661 0.000 1.970) 2.078 6.908 ( 1.059 0.000 1.143) 1.558 7.039 ( 6.491 0.000 1.982) 6.786 7.154 ( 6.364 0.000 0.116) 6.365 7.195 ( 1.817 0.000 1.557) 2.393 7.365 ( 1.705 0.000 -4.580) 4.887 7.411 ( 3.313 0.000 -0.136) 3.316 7.455 ( 6.408 0.000 -2.354) 6.827 7.648 ( -1.429 0.000 4.251) 4.484 7.664 ( -5.304 0.000 2.848) 6.021 7.737 ( 0.964 0.000 6.119) 6.194 7.883 ( 1.594 0.000 2.162) 2.686 7.919 ( -6.148 0.000 9.468) 11.289 8.202 ( -5.987 0.000 0.387) 5.999 8.248 ( -2.031 0.000 -0.395) 2.069 8.269 ( -3.882 0.000 -1.298) 4.093 8.324 ( -0.219 0.000 -2.217) 2.228 8.381 ( -2.817 0.000 1.408) 3.149 8.526 ( -8.200 0.000 -0.211) 8.203 8.588 ( -2.914 0.000 -4.953) 5.746 8.691 ( -8.340 0.000 8.287) 11.757 8.893 ( -10.310 0.000 1.938) 10.491 8.981 ( -3.008 0.000 0.935) 3.150 9.046 ( -16.770 0.000 1.768) 16.863 9.747 ( 3.044 0.000 6.141) 6.854 9.946 ( 0.657 0.000 -0.466) 0.806 9.948 ( 1.571 0.000 0.713) 1.725 9.995 ( 10.444 0.000 -1.257) 10.520 10.122 ( 14.646 0.000 0.725) 14.664 10.377 ( 11.865 0.000 -13.542) 18.005 10.685 ( -7.374 0.000 0.914) 7.431 10.743 ( -9.216 0.000 -1.725) 9.376 11.096 ( -1.322 0.000 3.722) 3.950 11.330 ( 0.989 0.000 -7.289) 7.356 12.349 ( 1.124 0.000 1.093) 1.568 12.395 ( 3.631 0.000 -0.879) 3.735 12.514 ( 0.613 0.000 0.990) 1.164 12.601 ( 6.751 0.000 -5.169) 8.502 14.112 ( -9.005 0.000 0.480) 9.018 14.137 ( -9.977 0.000 -0.611) 9.996 14.456 ( 2.773 0.000 0.139) 2.777 14.497 ( 10.070 0.000 -2.431) 10.360 15.350 ( -2.210 0.000 0.378) 2.242 15.357 ( -2.017 0.000 -0.183) 2.025 15.899 ( 6.455 0.000 1.003) 6.533 16.006 ( 1.584 0.000 -3.574) 3.909 18.357 ( 7.615 0.000 1.550) 7.771 18.478 ( 9.325 0.000 -4.761) 10.470 18.651 ( 7.679 0.000 0.777) 7.718 18.713 ( 11.056 0.000 -2.577) 11.353 19.194 ( 0.138 0.000 5.859) 5.860 19.204 ( 0.566 0.000 5.710) 5.738 19.456 ( 0.012 0.000 -5.451) 5.451 19.468 ( 0.396 0.000 -5.613) 5.627 19.876 ( -0.280 0.000 8.349) 8.354 20.047 ( -4.222 0.000 5.805) 7.178 20.250 ( -0.436 0.000 -7.791) 7.803 20.277 ( -0.760 0.000 -4.778) 4.838 20.698 ( -5.592 0.000 0.647) 5.630 20.710 ( -2.439 0.000 2.956) 3.832 20.812 ( 1.804 0.000 0.808) 1.977 21.069 ( -2.048 0.000 -6.555) 6.867 24.260 ( -0.664 0.000 -0.936) 1.147 24.301 ( 0.378 0.000 -2.845) 2.870 24.721 ( -9.022 0.000 7.378) 11.655 25.002 ( -3.273 0.000 -1.851) 3.760 25.106 ( -5.690 0.000 -1.643) 5.922 25.137 ( 1.816 0.000 -1.216) 2.186 25.323 ( 6.268 0.000 0.695) 6.307 25.420 ( 5.506 0.000 -5.178) 7.558 26.601 ( 1.512 0.000 4.604) 4.845 26.681 ( -0.171 0.000 0.954) 0.969 27.297 ( -10.341 0.000 17.430) 20.267 27.783 ( -40.000 0.000 3.256) 40.132 30.132 ( -0.903 0.000 0.297) 0.951 30.153 ( -0.894 0.000 -0.676) 1.120 30.276 ( 0.517 0.000 0.322) 0.609 30.295 ( 0.598 0.000 -0.515) 0.789 35.684 ( 7.638 0.000 3.652) 8.467 35.994 ( 14.970 0.000 -11.491) 18.871 36.123 ( 15.512 0.000 4.585) 16.176 36.440 ( 34.809 0.000 -14.044) 37.536 38.748 ( 0.740 0.000 0.523) 0.906 38.770 ( 0.693 0.000 -0.465) 0.835 39.257 ( -2.147 0.000 3.181) 3.838 39.387 ( 2.965 0.000 5.555) 6.297 39.397 ( -0.946 0.000 -2.025) 2.235 39.486 ( 1.948 0.000 -0.197) 1.958 39.692 ( 3.564 0.000 -1.504) 3.869 39.911 ( 15.064 0.000 -13.482) 20.216 41.610 ( 0.101 0.000 1.544) 1.548 41.686 ( 0.260 0.000 -1.710) 1.730 43.338 ( -1.367 0.000 13.951) 14.018 44.094 ( -7.716 0.000 -18.343) 19.900 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 25.199 0.000 2.962) 25.373 1.689 ( 13.956 0.000 -6.457) 15.377 1.907 ( 6.572 0.000 28.679) 29.422 2.051 ( 2.560 0.000 18.289) 18.467 2.270 ( 6.921 0.000 20.674) 21.802 2.355 ( 2.864 0.000 7.285) 7.828 2.468 ( 0.788 0.000 5.969) 6.021 2.493 ( 4.310 0.000 0.956) 4.415 2.647 ( -1.311 0.000 4.580) 4.763 2.780 ( 18.032 0.000 0.255) 18.034 2.782 ( 4.307 0.000 4.770) 6.426 2.931 ( 14.429 0.000 1.563) 14.514 2.940 ( 10.943 0.000 -4.374) 11.785 3.045 ( -13.279 0.000 12.402) 18.169 3.172 ( -0.249 0.000 -1.989) 2.004 3.333 ( 7.300 0.000 16.585) 18.120 3.386 ( -1.374 0.000 -2.259) 2.644 3.440 ( 3.710 0.000 13.649) 14.144 4.044 ( 0.303 0.000 1.958) 1.981 4.121 ( -9.486 0.000 -11.183) 14.664 4.452 ( 14.690 0.000 2.890) 14.972 4.731 ( 9.362 0.000 -10.361) 13.964 4.856 ( -1.155 0.000 -6.854) 6.951 5.089 ( 2.667 0.000 -16.109) 16.328 5.375 ( 1.617 0.000 1.808) 2.425 5.399 ( 7.957 0.000 1.752) 8.147 5.561 ( 11.991 0.000 -0.742) 12.014 5.595 ( 7.387 0.000 -1.995) 7.651 5.702 ( 1.934 0.000 -3.667) 4.145 5.838 ( -7.856 0.000 0.306) 7.862 5.872 ( -1.348 0.000 -7.002) 7.130 5.954 ( 3.050 0.000 -1.839) 3.562 6.144 ( -2.832 0.000 -4.490) 5.309 6.203 ( 0.566 0.000 -6.774) 6.798 6.422 ( -0.823 0.000 -2.293) 2.436 6.446 ( 5.029 0.000 -0.722) 5.080 6.604 ( 7.881 0.000 -1.302) 7.987 6.659 ( 3.061 0.000 -5.312) 6.131 6.853 ( -8.205 0.000 0.719) 8.237 6.883 ( -3.177 0.000 -1.110) 3.365 7.178 ( 6.249 0.000 4.288) 7.578 7.239 ( 4.595 0.000 2.112) 5.057 7.286 ( 2.197 0.000 1.157) 2.483 7.358 ( -6.085 0.000 -2.862) 6.724 7.361 ( -5.126 0.000 -3.093) 5.987 7.475 ( -3.877 0.000 -3.796) 5.426 7.585 ( -0.578 0.000 2.854) 2.912 7.591 ( -3.624 0.000 6.098) 7.094 7.761 ( -3.731 0.000 5.499) 6.645 7.861 ( 4.874 0.000 3.240) 5.852 7.874 ( -2.276 0.000 -0.569) 2.346 8.057 ( -8.862 0.000 -0.109) 8.863 8.151 ( -10.985 0.000 3.140) 11.425 8.201 ( -3.027 0.000 4.092) 5.090 8.319 ( 0.611 0.000 -3.336) 3.391 8.325 ( -1.191 0.000 1.541) 1.947 8.418 ( -2.917 0.000 -0.711) 3.002 8.523 ( -6.574 0.000 3.450) 7.424 8.541 ( -0.637 0.000 -4.368) 4.414 8.645 ( -4.880 0.000 -0.603) 4.917 8.979 ( 3.130 0.000 4.561) 5.532 9.059 ( 7.870 0.000 0.992) 7.932 9.781 ( 0.237 0.000 5.187) 5.192 9.937 ( -2.024 0.000 -1.256) 2.382 9.978 ( 0.349 0.000 2.226) 2.253 10.121 ( -0.210 0.000 -1.943) 1.954 10.425 ( 14.352 0.000 -0.116) 14.353 10.474 ( -11.944 0.000 -1.733) 12.069 10.492 ( -10.252 0.000 0.423) 10.260 10.568 ( 6.421 0.000 -4.827) 8.033 11.015 ( -7.000 0.000 3.750) 7.941 11.247 ( -8.687 0.000 -6.365) 10.769 12.373 ( 1.394 0.000 2.077) 2.501 12.455 ( 1.817 0.000 -1.414) 2.302 12.516 ( -0.570 0.000 1.377) 1.491 12.635 ( -3.501 0.000 -4.877) 6.003 13.955 ( -7.639 0.000 0.023) 7.639 13.957 ( -6.104 0.000 -0.061) 6.104 14.517 ( 3.651 0.000 2.901) 4.663 14.734 ( 12.655 0.000 -7.360) 14.640 15.356 ( 2.899 0.000 -0.193) 2.905 15.359 ( 2.425 0.000 -1.448) 2.825 16.018 ( 5.026 0.000 -1.603) 5.276 16.033 ( 0.914 0.000 -2.477) 2.640 18.546 ( 10.635 0.000 1.492) 10.739 18.670 ( 9.019 0.000 -4.325) 10.002 18.799 ( 6.207 0.000 1.100) 6.304 18.918 ( 8.280 0.000 -5.335) 9.850 19.201 ( 0.497 0.000 5.956) 5.977 19.219 ( 0.991 0.000 5.447) 5.537 19.457 ( 0.143 0.000 -5.237) 5.239 19.477 ( 0.481 0.000 -5.497) 5.518 19.868 ( -0.402 0.000 8.258) 8.268 19.963 ( -3.746 0.000 7.746) 8.604 20.238 ( -0.788 0.000 -7.571) 7.612 20.261 ( -0.779 0.000 -5.977) 6.027 20.565 ( -7.134 0.000 1.655) 7.323 20.663 ( -2.270 0.000 -1.560) 2.754 20.827 ( -0.176 0.000 0.877) 0.894 21.019 ( -2.738 0.000 -5.253) 5.924 24.247 ( -0.597 0.000 -0.269) 0.655 24.313 ( 0.911 0.000 -3.130) 3.260 24.541 ( -8.327 0.000 5.846) 10.174 24.846 ( -9.645 0.000 -7.192) 12.032 25.083 ( 0.945 0.000 2.328) 2.512 25.178 ( 2.057 0.000 -1.876) 2.784 25.444 ( 5.590 0.000 1.239) 5.726 25.514 ( 3.988 0.000 -2.071) 4.494 26.646 ( 3.115 0.000 4.198) 5.228 26.682 ( 0.474 0.000 2.656) 2.698 27.069 ( -11.696 0.000 10.046) 15.418 27.145 ( -23.501 0.000 12.103) 26.434 30.102 ( -1.853 0.000 0.232) 1.868 30.117 ( -2.205 0.000 -0.413) 2.243 30.291 ( 0.826 0.000 0.284) 0.874 30.308 ( 0.591 0.000 -0.470) 0.755 35.854 ( 8.755 0.000 5.803) 10.503 36.257 ( 12.718 0.000 -11.713) 17.290 36.468 ( 17.147 0.000 8.247) 19.027 36.979 ( 17.048 0.000 -16.576) 23.778 38.765 ( 0.935 0.000 0.499) 1.060 38.787 ( 0.873 0.000 -0.445) 0.980 39.220 ( -1.530 0.000 3.140) 3.493 39.385 ( -0.362 0.000 -3.866) 3.883 39.441 ( 2.357 0.000 7.324) 7.694 39.521 ( 1.547 0.000 1.726) 2.318 39.782 ( 5.101 0.000 -1.537) 5.328 40.219 ( 13.929 0.000 -22.561) 26.514 41.615 ( 0.361 0.000 1.363) 1.410 41.693 ( 0.436 0.000 -1.898) 1.947 43.299 ( -2.307 0.000 10.909) 11.150 43.911 ( -9.773 0.000 -14.939) 17.852 ======================= Grid point 73 (28/48) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 4.135 0.000 0.634) 4.183 1.890 ( 14.760 0.000 -0.314) 14.763 2.040 ( 8.058 0.000 23.219) 24.578 2.074 ( -1.869 0.000 9.342) 9.527 2.227 ( -8.907 0.000 13.594) 16.252 2.394 ( 4.531 0.000 15.350) 16.004 2.477 ( -1.048 0.000 8.245) 8.312 2.494 ( 0.759 0.000 -0.198) 0.784 2.589 ( -2.193 0.000 14.768) 14.930 2.749 ( -9.931 0.000 15.894) 18.741 2.863 ( 2.162 0.000 4.412) 4.914 2.988 ( 3.809 0.000 -0.654) 3.865 3.157 ( 2.537 0.000 -1.138) 2.781 3.210 ( 6.279 0.000 0.682) 6.316 3.218 ( 7.443 0.000 -3.255) 8.123 3.349 ( -1.351 0.000 -9.043) 9.143 3.453 ( 4.021 0.000 11.032) 11.742 3.516 ( 1.549 0.000 12.255) 12.352 3.980 ( -3.824 0.000 -5.463) 6.669 4.057 ( 0.552 0.000 1.320) 1.431 4.765 ( 15.446 0.000 -1.339) 15.504 4.787 ( -1.335 0.000 0.582) 1.457 4.840 ( -0.414 0.000 -7.041) 7.054 5.047 ( -7.634 0.000 -11.879) 14.120 5.428 ( 3.099 0.000 -1.269) 3.349 5.527 ( 3.997 0.000 4.262) 5.843 5.682 ( 1.396 0.000 -5.364) 5.543 5.738 ( -2.827 0.000 -2.607) 3.845 5.740 ( 6.461 0.000 -2.121) 6.800 5.787 ( 3.550 0.000 -7.655) 8.438 5.890 ( 1.844 0.000 -11.491) 11.637 5.931 ( -3.905 0.000 -7.651) 8.590 6.181 ( 7.899 0.000 3.549) 8.659 6.290 ( 5.820 0.000 -2.188) 6.218 6.431 ( 1.209 0.000 -1.946) 2.291 6.555 ( 5.306 0.000 -6.680) 8.531 6.587 ( -15.784 0.000 2.364) 15.960 6.707 ( -6.951 0.000 -3.565) 7.812 6.874 ( 16.183 0.000 2.662) 16.400 6.921 ( 8.794 0.000 -1.076) 8.860 7.142 ( 0.903 0.000 -0.425) 0.998 7.192 ( -3.686 0.000 -5.058) 6.258 7.261 ( -7.449 0.000 0.517) 7.467 7.310 ( 0.499 0.000 7.959) 7.974 7.381 ( -5.089 0.000 -3.704) 6.294 7.385 ( 3.678 0.000 3.437) 5.034 7.545 ( -0.074 0.000 6.674) 6.674 7.665 ( 6.309 0.000 -0.069) 6.310 7.714 ( 0.049 0.000 4.151) 4.151 7.786 ( -7.617 0.000 0.304) 7.623 7.846 ( -8.166 0.000 1.062) 8.235 7.850 ( -9.385 0.000 -0.566) 9.402 8.054 ( 4.347 0.000 2.676) 5.104 8.158 ( -1.083 0.000 6.050) 6.146 8.316 ( -0.778 0.000 -0.978) 1.250 8.324 ( -0.254 0.000 -6.398) 6.403 8.394 ( 0.339 0.000 0.545) 0.641 8.433 ( -3.412 0.000 3.003) 4.545 8.547 ( 0.833 0.000 -4.540) 4.615 8.590 ( -2.940 0.000 -3.136) 4.299 9.080 ( 4.868 0.000 7.453) 8.902 9.288 ( 13.119 0.000 -1.596) 13.216 9.753 ( -2.460 0.000 1.243) 2.756 9.796 ( -12.945 0.000 -0.485) 12.954 9.961 ( -0.654 0.000 1.322) 1.475 10.025 ( -3.306 0.000 -1.290) 3.549 10.318 ( -2.716 0.000 1.505) 3.105 10.346 ( -3.342 0.000 0.234) 3.350 10.653 ( 7.333 0.000 0.408) 7.345 10.721 ( 5.685 0.000 -2.505) 6.212 10.864 ( -6.468 0.000 3.574) 7.390 11.070 ( -6.837 0.000 -5.126) 8.545 12.418 ( 3.704 0.000 1.615) 4.041 12.465 ( -0.279 0.000 -0.447) 0.527 12.501 ( -0.529 0.000 0.168) 0.555 12.522 ( -6.505 0.000 -0.851) 6.560 13.855 ( -2.616 0.000 0.495) 2.662 13.880 ( -1.882 0.000 -0.614) 1.979 14.584 ( 2.390 0.000 5.533) 6.027 14.922 ( 5.414 0.000 -8.157) 9.791 15.420 ( 2.486 0.000 -2.651) 3.634 15.424 ( 2.627 0.000 -1.013) 2.815 16.039 ( -0.082 0.000 -2.030) 2.031 16.083 ( 1.632 0.000 -3.337) 3.714 18.724 ( 6.200 0.000 0.833) 6.256 18.797 ( 3.510 0.000 -2.483) 4.299 18.865 ( 0.631 0.000 1.552) 1.675 19.017 ( 2.169 0.000 -5.489) 5.902 19.210 ( 0.336 0.000 5.950) 5.959 19.239 ( 0.765 0.000 4.720) 4.782 19.460 ( 0.105 0.000 -5.027) 5.028 19.484 ( 0.232 0.000 -5.323) 5.328 19.862 ( -0.180 0.000 8.168) 8.170 19.912 ( -1.379 0.000 8.282) 8.396 20.223 ( -0.536 0.000 -7.384) 7.404 20.250 ( -0.302 0.000 -6.755) 6.762 20.457 ( -3.158 0.000 2.464) 4.005 20.630 ( -0.925 0.000 -5.304) 5.384 20.817 ( -0.508 0.000 2.177) 2.235 20.976 ( -1.280 0.000 -4.274) 4.461 24.240 ( -0.123 0.000 0.160) 0.202 24.334 ( 0.912 0.000 -3.628) 3.741 24.423 ( -3.292 0.000 4.678) 5.720 24.695 ( -4.689 0.000 -7.064) 8.479 25.101 ( 0.591 0.000 2.429) 2.500 25.208 ( 0.850 0.000 -2.288) 2.440 25.523 ( 2.211 0.000 1.283) 2.556 25.570 ( 1.537 0.000 -0.627) 1.660 26.710 ( 2.560 0.000 6.014) 6.537 26.723 ( 4.712 0.000 4.628) 6.605 26.839 ( -9.114 0.000 8.386) 12.385 26.873 ( -7.902 0.000 4.960) 9.330 30.072 ( -0.920 0.000 0.110) 0.926 30.083 ( -1.026 0.000 -0.367) 1.089 30.303 ( 0.341 0.000 0.188) 0.390 30.316 ( 0.206 0.000 -0.389) 0.440 35.986 ( 3.863 0.000 7.012) 8.006 36.453 ( 5.983 0.000 -13.714) 14.962 36.713 ( 6.748 0.000 9.389) 11.562 37.155 ( 3.150 0.000 -9.734) 10.231 38.779 ( 0.422 0.000 0.480) 0.639 38.800 ( 0.389 0.000 -0.421) 0.573 39.200 ( -0.531 0.000 3.249) 3.292 39.381 ( -0.071 0.000 -4.701) 4.701 39.473 ( 0.828 0.000 8.573) 8.613 39.543 ( 0.603 0.000 2.666) 2.733 39.864 ( 2.547 0.000 -1.434) 2.923 40.405 ( 4.768 0.000 -23.768) 24.241 41.622 ( 0.253 0.000 1.047) 1.077 41.700 ( 0.245 0.000 -2.096) 2.110 43.262 ( -1.171 0.000 9.154) 9.228 43.762 ( -4.431 0.000 -12.078) 12.865 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 26.781 11.304) 29.069 1.283 ( 0.000 39.519 9.147) 40.564 1.558 ( 0.000 16.771 -8.681) 18.884 1.673 ( 0.000 31.227 -10.010) 32.792 1.947 ( 0.000 7.242 32.101) 32.908 2.103 ( 0.000 -1.407 24.214) 24.255 2.142 ( 0.000 2.311 23.372) 23.486 2.455 ( 0.000 -3.704 5.265) 6.437 2.573 ( 0.000 -7.227 -3.392) 7.984 2.610 ( 0.000 1.050 5.969) 6.060 2.750 ( 0.000 0.014 -1.183) 1.183 2.821 ( 0.000 2.129 4.176) 4.687 2.857 ( 0.000 1.537 -2.647) 3.061 3.098 ( 0.000 -7.760 21.644) 22.993 3.234 ( 0.000 3.342 -4.676) 5.747 3.331 ( 0.000 -6.490 15.892) 17.166 3.358 ( 0.000 -0.755 15.689) 15.707 3.596 ( 0.000 -1.275 -0.465) 1.357 4.050 ( 0.000 -0.147 -6.041) 6.042 4.234 ( 0.000 -1.350 -13.837) 13.902 4.252 ( 0.000 10.463 4.067) 11.226 4.555 ( 0.000 4.382 -17.167) 17.717 4.725 ( 0.000 -8.496 4.064) 9.418 4.997 ( 0.000 2.815 -9.217) 9.637 5.162 ( 0.000 -1.115 1.394) 1.785 5.257 ( 0.000 6.503 -0.658) 6.536 5.412 ( 0.000 -0.482 -7.523) 7.538 5.427 ( 0.000 6.233 -9.654) 11.492 5.801 ( 0.000 1.480 -1.577) 2.163 5.873 ( 0.000 0.096 -4.202) 4.203 5.925 ( 0.000 1.812 2.935) 3.450 5.987 ( 0.000 -5.862 -1.798) 6.131 6.247 ( 0.000 -1.070 -6.826) 6.910 6.313 ( 0.000 1.173 -12.710) 12.764 6.462 ( 0.000 -0.157 0.453) 0.479 6.539 ( 0.000 -0.256 -2.384) 2.398 6.596 ( 0.000 2.610 1.237) 2.888 6.722 ( 0.000 3.550 -4.016) 5.360 6.887 ( 0.000 0.538 2.915) 2.965 6.911 ( 0.000 1.309 2.694) 2.995 6.947 ( 0.000 -1.437 2.494) 2.879 7.091 ( 0.000 0.873 -1.365) 1.621 7.124 ( 0.000 -6.577 0.738) 6.618 7.186 ( 0.000 -11.066 -1.397) 11.154 7.265 ( 0.000 -4.210 2.929) 5.129 7.384 ( 0.000 0.060 -3.387) 3.388 7.670 ( 0.000 1.558 5.477) 5.694 7.710 ( 0.000 -3.072 8.646) 9.176 7.835 ( 0.000 6.512 -1.863) 6.773 7.881 ( 0.000 2.810 3.441) 4.443 8.022 ( 0.000 -25.000 2.445) 25.120 8.078 ( 0.000 6.997 6.944) 9.858 8.108 ( 0.000 -19.325 0.003) 19.325 8.311 ( 0.000 -0.082 -0.043) 0.092 8.340 ( 0.000 -2.258 -1.644) 2.793 8.342 ( 0.000 2.572 -3.985) 4.743 8.490 ( 0.000 -8.524 0.384) 8.532 8.608 ( 0.000 -1.602 -4.184) 4.481 8.647 ( 0.000 -6.864 7.905) 10.469 8.832 ( 0.000 -22.496 4.326) 22.908 9.012 ( 0.000 5.687 3.767) 6.821 9.226 ( 0.000 -1.616 -2.740) 3.181 9.551 ( 0.000 -8.323 2.438) 8.673 9.644 ( 0.000 -10.415 -1.636) 10.542 10.064 ( 0.000 11.392 2.963) 11.771 10.183 ( 0.000 15.359 3.442) 15.740 10.332 ( 0.000 12.192 -2.594) 12.465 10.367 ( 0.000 16.797 -11.831) 20.546 10.824 ( 0.000 5.923 1.598) 6.134 10.923 ( 0.000 9.018 -3.111) 9.539 11.128 ( 0.000 2.146 2.184) 3.062 11.282 ( 0.000 -0.242 -4.698) 4.704 12.363 ( 0.000 2.282 1.615) 2.795 12.480 ( 0.000 -1.421 1.338) 1.952 12.526 ( 0.000 1.604 -0.522) 1.687 12.555 ( 0.000 12.143 -10.115) 15.804 14.227 ( 0.000 -0.691 0.712) 0.992 14.297 ( 0.000 2.570 -3.339) 4.214 14.335 ( 0.000 -3.567 0.691) 3.633 14.390 ( 0.000 -1.789 -1.768) 2.515 15.436 ( 0.000 4.314 -0.549) 4.349 15.439 ( 0.000 4.968 -0.790) 5.030 15.789 ( 0.000 -3.030 2.051) 3.659 15.929 ( 0.000 -5.503 -3.749) 6.659 18.312 ( 0.000 2.965 1.518) 3.331 18.399 ( 0.000 2.576 -2.311) 3.460 18.542 ( 0.000 -2.127 0.597) 2.209 18.571 ( 0.000 -1.311 -0.682) 1.478 19.193 ( 0.000 -0.019 5.807) 5.807 19.197 ( 0.000 -0.082 5.844) 5.844 19.457 ( 0.000 0.059 -5.564) 5.564 19.462 ( 0.000 -0.069 -5.612) 5.613 19.883 ( 0.000 0.506 8.466) 8.481 20.041 ( 0.000 -4.413 6.321) 7.709 20.254 ( 0.000 0.023 -7.629) 7.630 20.279 ( 0.000 -0.579 -4.746) 4.781 20.746 ( 0.000 -0.177 6.912) 6.914 20.750 ( 0.000 -0.348 1.134) 1.186 20.813 ( 0.000 3.236 -1.583) 3.603 21.066 ( 0.000 -2.382 -6.940) 7.337 24.291 ( 0.000 2.466 -0.783) 2.587 24.366 ( 0.000 6.364 -3.732) 7.378 24.695 ( 0.000 -9.605 7.220) 12.016 24.990 ( 0.000 -6.284 -3.764) 7.325 25.133 ( 0.000 2.708 1.686) 3.190 25.207 ( 0.000 -0.686 1.413) 1.570 25.261 ( 0.000 1.096 -1.024) 1.500 25.317 ( 0.000 -1.098 -7.530) 7.609 26.622 ( 0.000 3.764 5.968) 7.056 26.723 ( 0.000 3.832 0.977) 3.955 27.284 ( 0.000 -10.941 17.012) 20.227 27.759 ( 0.000 -40.129 3.325) 40.267 30.152 ( 0.000 1.304 0.205) 1.321 30.165 ( 0.000 1.337 -0.351) 1.382 30.262 ( 0.000 -1.073 0.177) 1.088 30.277 ( 0.000 -1.198 -0.443) 1.277 35.635 ( 0.000 3.391 1.816) 3.846 35.724 ( 0.000 3.379 -2.012) 3.932 35.948 ( 0.000 -2.371 1.147) 2.634 36.039 ( 0.000 -3.700 -2.498) 4.464 38.837 ( 0.000 7.086 0.338) 7.094 38.878 ( 0.000 9.234 -1.580) 9.368 39.310 ( 0.000 -3.449 3.918) 5.220 39.362 ( 0.000 -5.130 1.423) 5.323 39.366 ( 0.000 5.438 0.280) 5.445 39.482 ( 0.000 2.782 -3.602) 4.551 39.629 ( 0.000 -2.566 -1.336) 2.893 39.720 ( 0.000 -2.442 -5.029) 5.591 41.840 ( 0.000 20.940 5.450) 21.637 42.345 ( 0.000 51.180 -24.612) 56.790 43.231 ( 0.000 -11.614 15.949) 19.729 44.098 ( 0.000 -7.702 -21.859) 23.176 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 17.154 21.840 8.015) 28.905 1.611 ( 7.648 17.485 -9.392) 21.271 1.712 ( 23.017 12.203 17.438) 31.349 1.997 ( 15.296 9.061 7.367) 19.244 2.059 ( 13.934 9.999 20.153) 26.463 2.136 ( 5.231 1.303 21.045) 21.724 2.215 ( 14.232 4.334 10.985) 18.493 2.497 ( 1.805 -2.621 3.648) 4.841 2.584 ( 3.827 -0.096 2.008) 4.323 2.635 ( 1.585 -1.787 5.560) 6.051 2.747 ( 0.575 -0.086 0.637) 0.862 2.821 ( 1.010 2.078 1.279) 2.641 2.854 ( 1.243 2.469 -0.959) 2.926 3.106 ( 0.204 -10.243 18.918) 21.514 3.185 ( -1.927 0.613 1.600) 2.579 3.329 ( -4.096 -0.991 8.228) 9.244 3.402 ( 3.511 2.267 7.782) 8.834 3.521 ( -4.087 6.067 9.521) 12.007 4.065 ( -1.726 -3.375 -3.800) 5.368 4.080 ( -0.866 -5.910 -3.428) 6.887 4.416 ( -3.584 8.365 -7.282) 11.656 4.565 ( 12.878 5.356 -10.923) 17.715 4.809 ( 4.674 -4.544 -4.649) 8.006 5.012 ( 1.548 -0.437 -12.842) 12.942 5.220 ( 5.622 0.018 2.249) 6.055 5.365 ( 9.088 6.307 -1.092) 11.116 5.439 ( 4.838 3.084 -6.638) 8.773 5.487 ( 4.268 3.064 -4.360) 6.827 5.757 ( -5.339 -0.524 0.206) 5.369 5.878 ( 0.096 0.829 -3.318) 3.421 5.908 ( -0.362 0.907 0.406) 1.058 5.939 ( -3.249 -3.056 0.484) 4.487 6.218 ( -2.773 -1.499 -6.836) 7.528 6.245 ( -5.342 1.234 -11.003) 12.293 6.433 ( -2.175 -0.276 0.124) 2.196 6.496 ( -4.076 -1.002 -1.924) 4.617 6.571 ( -0.543 3.591 -0.753) 3.709 6.691 ( -2.081 3.176 -5.126) 6.379 6.907 ( -0.387 -0.001 1.742) 1.784 6.923 ( 0.980 1.196 0.849) 1.764 7.017 ( 6.244 -1.847 2.661) 7.034 7.101 ( 0.276 -6.946 0.875) 7.006 7.164 ( 3.329 -2.771 -0.659) 4.381 7.215 ( 2.213 -9.068 -2.576) 9.683 7.318 ( 2.991 -5.718 3.011) 7.121 7.443 ( 3.930 -1.109 -3.048) 5.096 7.626 ( -3.925 0.284 6.481) 7.582 7.702 ( -0.447 -2.258 7.331) 7.684 7.786 ( -1.624 6.233 -0.294) 6.448 7.889 ( -1.462 -3.254 1.160) 3.751 7.981 ( 0.658 -1.623 3.361) 3.791 8.045 ( -3.989 -13.363 0.845) 13.971 8.135 ( 2.033 -4.494 3.192) 5.875 8.274 ( -2.583 -1.070 2.427) 3.703 8.320 ( -1.225 -0.282 -2.913) 3.172 8.364 ( -0.267 0.584 -1.517) 1.647 8.445 ( -2.957 -4.428 0.126) 5.326 8.579 ( -2.612 -1.654 -4.235) 5.243 8.621 ( -3.996 -5.950 5.285) 8.906 8.711 ( -9.779 -14.473 4.275) 17.982 9.044 ( 2.556 7.496 2.359) 8.263 9.103 ( -4.544 7.192 0.244) 8.511 9.636 ( 6.348 -9.318 4.224) 12.040 9.816 ( 9.556 -11.668 -2.671) 15.316 10.073 ( 1.005 10.269 1.837) 10.480 10.177 ( -4.357 13.781 0.591) 14.466 10.242 ( 1.581 10.230 -1.166) 10.417 10.382 ( -1.098 1.420 -4.942) 5.258 10.749 ( -7.166 5.417 0.873) 9.025 10.803 ( -9.462 5.761 -1.664) 11.202 11.249 ( 2.359 7.770 -2.032) 8.371 11.335 ( 4.415 -0.110 -5.449) 7.014 12.362 ( -0.048 1.359 1.375) 1.934 12.421 ( -2.278 1.752 -0.086) 2.875 12.508 ( -0.095 -0.609 0.125) 0.629 12.605 ( -0.365 0.201 -7.148) 7.160 14.123 ( -7.512 1.275 0.587) 7.642 14.163 ( -9.319 2.561 -1.393) 9.765 14.418 ( 2.409 -3.704 -0.273) 4.427 14.450 ( 7.393 -4.130 -2.216) 8.753 15.394 ( -3.038 5.072 0.586) 5.941 15.436 ( 1.425 6.568 -1.921) 6.990 15.860 ( 5.408 -3.782 0.348) 6.608 15.941 ( 1.525 -6.101 -3.011) 6.972 18.401 ( 8.062 3.937 0.961) 9.024 18.502 ( 9.247 2.196 -4.183) 10.383 18.635 ( 8.035 -1.622 0.586) 8.218 18.690 ( 10.527 -2.172 -2.272) 10.987 19.195 ( 0.180 0.033 5.881) 5.884 19.202 ( 0.513 -0.143 5.767) 5.792 19.457 ( 0.046 0.099 -5.469) 5.470 19.466 ( 0.354 -0.117 -5.601) 5.613 19.880 ( -0.271 0.503 8.428) 8.447 20.009 ( -2.905 -3.180 7.113) 8.316 20.250 ( -0.384 0.056 -7.583) 7.593 20.272 ( -0.661 -0.475 -5.174) 5.237 20.696 ( -3.809 0.530 2.521) 4.598 20.753 ( -2.262 2.555 2.023) 3.967 20.804 ( 0.441 0.038 -0.360) 0.570 21.043 ( -2.092 -2.482 -6.300) 7.087 24.285 ( -0.542 2.375 -0.552) 2.498 24.359 ( -0.603 5.600 -3.551) 6.658 24.629 ( -6.043 -7.278 6.469) 11.460 24.937 ( -5.921 -7.155 -5.926) 11.017 25.117 ( -0.877 2.805 1.762) 3.427 25.186 ( 0.144 2.819 -0.780) 2.928 25.308 ( 4.833 -1.320 0.554) 5.041 25.396 ( 5.076 -2.211 -4.087) 6.882 26.630 ( 0.827 3.055 5.683) 6.505 26.717 ( -0.451 3.512 1.362) 3.794 27.196 ( -8.196 -8.928 13.996) 18.514 27.459 ( -23.939 -24.835 9.737) 35.842 30.145 ( -0.928 1.254 0.278) 1.585 30.162 ( -0.728 1.095 -0.499) 1.407 30.264 ( 0.240 -1.268 0.195) 1.305 30.279 ( 0.291 -1.443 -0.424) 1.532 35.718 ( 7.245 3.354 3.410) 8.681 35.935 ( 16.077 -2.864 -4.544) 16.950 36.105 ( 12.224 -2.700 0.570) 12.531 36.319 ( 27.538 -9.072 -8.025) 30.084 38.845 ( 0.820 7.208 0.362) 7.264 38.885 ( 0.630 9.596 -1.388) 9.717 39.301 ( -1.442 1.412 2.459) 3.182 39.355 ( 1.061 -2.016 3.222) 3.946 39.391 ( 1.321 -2.053 1.080) 2.670 39.482 ( 0.016 2.032 -3.065) 3.677 39.661 ( 3.103 -2.987 -1.526) 4.569 39.825 ( 9.591 -6.332 -8.990) 14.591 41.835 ( -0.412 20.507 5.182) 21.156 42.282 ( -5.540 46.140 -19.735) 50.488 43.219 ( -1.392 -11.436 13.761) 17.947 44.011 ( -8.343 -8.360 -20.107) 23.319 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 20.287 11.144 3.366) 23.389 1.792 ( 8.930 8.928 -5.046) 13.599 1.932 ( 6.380 2.636 27.807) 28.651 2.087 ( 1.596 2.857 15.756) 16.092 2.219 ( 6.520 -4.000 21.804) 23.107 2.347 ( 2.173 -2.611 1.634) 3.769 2.450 ( -3.095 0.293 8.846) 9.377 2.513 ( 4.035 1.545 2.153) 4.827 2.645 ( -1.289 -1.518 3.949) 4.423 2.794 ( 7.086 2.461 1.622) 7.675 2.830 ( 8.220 2.467 5.371) 10.124 2.942 ( 14.308 2.819 2.314) 14.766 2.993 ( 11.984 1.220 1.445) 12.132 3.081 ( -0.442 -0.967 7.650) 7.724 3.183 ( -3.476 2.619 1.800) 4.710 3.222 ( 1.981 -2.061 8.866) 9.316 3.416 ( 1.015 2.625 5.853) 6.495 3.583 ( 4.855 9.738 7.451) 13.188 3.903 ( -5.714 -8.808 2.396) 10.769 4.256 ( 3.356 -0.014 -17.789) 18.103 4.343 ( 5.281 0.699 9.697) 11.064 4.808 ( 7.538 3.740 -9.955) 13.035 4.855 ( 0.466 -0.004 -9.059) 9.071 5.045 ( 0.804 -4.552 -16.296) 16.939 5.358 ( 7.700 2.346 3.796) 8.900 5.488 ( 2.644 4.645 1.317) 5.505 5.560 ( 4.211 -0.824 0.922) 4.389 5.614 ( 10.101 2.602 -2.242) 10.669 5.712 ( 3.183 1.133 -4.985) 6.022 5.812 ( -4.548 -2.218 0.600) 5.095 5.877 ( -0.865 0.912 -6.649) 6.767 5.959 ( 1.013 0.261 0.522) 1.169 6.143 ( -3.775 0.341 -5.950) 7.054 6.170 ( -2.062 -2.199 -9.055) 9.543 6.415 ( -1.105 -3.549 -0.779) 3.798 6.456 ( 1.459 -1.485 -0.729) 2.206 6.592 ( 0.627 -2.139 -0.118) 2.232 6.677 ( 1.672 2.236 -3.671) 4.612 6.848 ( -6.997 -1.678 -1.133) 7.284 6.872 ( -3.297 0.550 -1.691) 3.746 7.102 ( 0.320 -5.232 -0.029) 5.242 7.140 ( 3.114 -5.428 -0.172) 6.260 7.213 ( 1.346 -5.574 2.049) 6.090 7.245 ( 5.642 -0.336 1.183) 5.774 7.393 ( 5.538 2.681 0.832) 6.208 7.469 ( 1.224 -3.220 -2.123) 4.047 7.570 ( -1.582 2.657 5.607) 6.403 7.679 ( -1.916 2.539 4.424) 5.449 7.822 ( 1.816 2.822 -1.348) 3.616 7.897 ( 1.352 1.339 1.637) 2.510 7.947 ( -4.679 3.985 2.238) 6.541 7.990 ( -1.958 -3.627 2.069) 4.612 8.150 ( -1.203 -1.796 1.399) 2.575 8.253 ( -5.626 1.837 1.663) 6.148 8.258 ( 0.648 -3.074 3.689) 4.846 8.347 ( 0.456 0.658 -2.252) 2.390 8.404 ( -1.169 -1.232 -0.151) 1.706 8.520 ( -3.902 -0.176 0.412) 3.928 8.540 ( -0.285 -2.448 -0.256) 2.478 8.595 ( -2.376 -2.905 -2.879) 4.730 9.066 ( 0.808 7.853 3.949) 8.827 9.135 ( 5.934 7.356 0.904) 9.494 9.701 ( -1.068 -9.778 4.403) 10.777 9.884 ( -3.065 -6.811 -2.864) 7.999 10.084 ( -1.408 5.761 0.326) 5.939 10.104 ( -1.476 7.297 -0.256) 7.449 10.326 ( 1.741 -1.777 0.592) 2.557 10.373 ( 1.917 -4.630 -1.041) 5.118 10.577 ( -8.145 5.103 1.099) 9.674 10.649 ( -3.227 4.413 -1.975) 5.813 11.136 ( -11.681 3.404 0.656) 12.185 11.302 ( -9.221 3.598 -6.427) 11.802 12.364 ( 0.488 -0.766 1.723) 1.948 12.423 ( 1.126 -2.463 -0.057) 2.709 12.507 ( -0.997 -0.168 -0.420) 1.095 12.542 ( -3.369 -7.199 -2.861) 8.447 13.985 ( -6.116 3.519 0.537) 7.077 14.012 ( -5.339 4.903 -0.655) 7.279 14.451 ( 1.466 -6.053 2.236) 6.617 14.611 ( 7.825 -10.099 -5.033) 13.731 15.373 ( 1.272 5.240 2.498) 5.942 15.526 ( 7.314 10.240 -5.195) 13.614 15.923 ( 1.070 -7.479 0.080) 7.556 16.010 ( 4.632 -3.404 -3.763) 6.870 18.591 ( 10.348 3.845 0.810) 11.069 18.683 ( 8.010 1.182 -3.345) 8.760 18.795 ( 6.808 -0.420 0.151) 6.823 18.890 ( 8.427 -2.563 -5.026) 10.142 19.201 ( 0.497 0.081 5.959) 5.980 19.216 ( 0.838 -0.285 5.598) 5.667 19.459 ( 0.179 0.165 -5.265) 5.271 19.475 ( 0.454 -0.187 -5.479) 5.501 19.873 ( -0.389 0.492 8.341) 8.365 19.948 ( -2.882 -1.361 8.035) 8.645 20.240 ( -0.652 0.186 -7.429) 7.460 20.258 ( -0.693 -0.298 -6.162) 6.208 20.591 ( -6.112 2.464 2.024) 6.894 20.708 ( -1.774 3.982 -1.699) 4.679 20.806 ( -0.710 -1.856 0.691) 2.104 20.998 ( -2.177 -2.094 -5.316) 6.114 24.272 ( -0.684 2.237 -0.090) 2.341 24.349 ( -0.246 3.616 -3.371) 4.950 24.498 ( -6.496 -3.726 5.011) 9.011 24.782 ( -8.699 -5.849 -6.981) 12.595 25.120 ( 0.951 3.347 2.361) 4.205 25.216 ( 2.154 3.375 -1.829) 4.402 25.407 ( 4.611 -3.433 1.482) 5.937 25.486 ( 3.998 -2.709 -2.120) 5.274 26.656 ( 1.895 1.362 5.218) 5.716 26.712 ( 0.194 2.712 2.669) 3.810 27.005 ( -11.118 -6.289 9.736) 16.060 27.049 ( -15.058 -7.367 10.406) 19.730 30.115 ( -1.841 1.354 0.345) 2.311 30.136 ( -1.613 1.763 -0.554) 2.453 30.271 ( 0.321 -1.974 0.264) 2.017 30.288 ( 0.565 -1.788 -0.492) 1.939 35.886 ( 8.885 3.309 5.725) 11.075 36.243 ( 14.260 -0.320 -8.953) 16.840 36.389 ( 15.074 -7.092 6.558) 17.903 36.810 ( 18.605 -13.604 -11.997) 25.983 38.864 ( 1.016 7.493 0.424) 7.574 38.900 ( 0.852 10.255 -1.069) 10.346 39.270 ( -1.378 4.549 2.506) 5.374 39.388 ( 1.801 -3.568 4.474) 6.000 39.417 ( 1.233 -1.023 0.315) 1.633 39.483 ( -0.012 -0.665 -1.260) 1.425 39.738 ( 4.332 -4.202 -1.820) 6.304 40.032 ( 10.102 -13.222 -14.390) 21.999 41.826 ( -0.534 19.526 4.641) 20.077 42.172 ( -4.945 37.201 -12.713) 39.623 43.178 ( -2.561 -11.682 10.848) 16.147 43.815 ( -10.410 -9.634 -16.121) 21.472 ======================= Grid point 80 (32/48) ======================= q-point: ( 0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 2.371 2.860 2.924) 4.727 1.946 ( 12.607 4.810 0.775) 13.516 2.067 ( 6.427 2.617 17.812) 19.117 2.098 ( -0.799 2.308 9.522) 9.830 2.243 ( -7.496 1.265 13.677) 15.648 2.356 ( 4.797 -3.611 13.244) 14.542 2.431 ( 1.056 -1.884 7.022) 7.347 2.501 ( -3.320 0.142 4.946) 5.958 2.625 ( 1.278 0.141 12.750) 12.815 2.739 ( -8.118 1.462 13.651) 15.950 2.914 ( 3.106 4.840 2.703) 6.355 3.103 ( 1.365 7.961 4.298) 9.150 3.150 ( 3.509 -0.689 1.155) 3.758 3.183 ( 3.775 -5.302 2.632) 7.021 3.238 ( 6.812 1.917 -0.686) 7.110 3.291 ( 2.771 0.209 -2.487) 3.729 3.464 ( 3.438 -0.402 5.645) 6.621 3.557 ( -5.783 1.437 6.898) 9.115 3.950 ( 8.147 1.230 -2.281) 8.550 4.164 ( -7.064 7.441 -6.521) 12.157 4.603 ( 13.768 -9.718 3.597) 17.231 4.808 ( -5.549 -4.055 -2.580) 7.341 4.857 ( -0.017 1.702 -7.742) 7.927 5.005 ( -4.105 -2.533 -11.607) 12.569 5.483 ( 4.106 4.448 -0.134) 6.055 5.549 ( 3.064 0.503 1.774) 3.576 5.664 ( 5.592 -0.095 -3.631) 6.668 5.727 ( -1.496 -0.041 -3.985) 4.256 5.780 ( 5.107 1.619 -2.558) 5.937 5.806 ( 1.883 1.354 -4.920) 5.440 5.893 ( 1.907 0.134 -9.421) 9.613 5.922 ( -3.708 -0.555 -3.849) 5.374 6.121 ( 3.929 -4.266 0.062) 5.800 6.194 ( 3.696 -5.964 -4.004) 8.078 6.327 ( -10.208 -13.255 2.462) 16.910 6.441 ( -3.975 -12.595 -2.657) 13.472 6.493 ( -4.640 -0.876 -0.635) 4.764 6.682 ( -2.186 -3.108 -4.506) 5.895 6.716 ( -4.011 -3.417 -0.519) 5.295 6.925 ( 4.110 -3.143 -5.610) 7.631 7.191 ( 5.128 2.546 -2.134) 6.110 7.225 ( 10.066 6.128 -0.659) 11.803 7.292 ( 3.430 -0.996 3.517) 5.013 7.374 ( 1.376 1.335 3.378) 3.884 7.477 ( 6.465 10.663 3.106) 12.851 7.527 ( 2.887 0.197 6.100) 6.752 7.608 ( 5.327 11.341 0.052) 12.529 7.657 ( 0.499 -0.512 1.667) 1.814 7.742 ( -3.986 5.904 2.293) 7.484 7.838 ( -5.688 2.313 0.845) 6.199 7.896 ( -2.764 7.326 0.313) 7.836 7.974 ( -8.783 6.884 -3.363) 11.655 8.070 ( 2.211 2.050 4.010) 5.017 8.188 ( -1.279 2.920 5.529) 6.382 8.281 ( 1.283 -2.275 -0.261) 2.625 8.357 ( -0.160 1.198 -3.591) 3.789 8.395 ( -0.030 -0.454 -0.192) 0.494 8.449 ( -3.327 2.860 1.426) 4.614 8.554 ( 0.195 0.251 -3.319) 3.334 8.569 ( -1.179 -1.843 -3.334) 3.988 9.096 ( 1.619 1.892 6.788) 7.230 9.291 ( 8.516 0.511 -1.706) 8.701 9.620 ( -5.102 -10.318 2.340) 11.746 9.723 ( -9.605 -7.726 -2.060) 12.498 10.033 ( -1.632 5.340 1.405) 5.757 10.106 ( 0.613 8.447 -1.637) 8.626 10.302 ( -1.148 -0.161 2.177) 2.466 10.384 ( -1.383 1.528 -1.400) 2.492 10.541 ( 2.797 -5.243 3.139) 6.721 10.708 ( 6.510 -1.752 -3.140) 7.437 10.887 ( -11.190 -1.894 2.044) 11.532 11.070 ( -10.401 -1.247 -5.022) 11.617 12.386 ( 1.588 -2.644 1.465) 3.415 12.435 ( -0.047 -1.905 1.015) 2.159 12.454 ( -1.981 -3.240 -0.061) 3.798 12.525 ( -0.464 -0.669 -1.260) 1.500 13.902 ( -2.180 4.923 0.874) 5.455 13.948 ( -1.527 6.301 -1.071) 6.571 14.477 ( 0.917 -9.081 4.164) 10.032 14.723 ( 3.171 -15.395 -6.230) 16.907 15.417 ( 1.986 5.540 3.980) 7.105 15.662 ( 4.700 12.239 -7.365) 15.037 15.928 ( -0.242 -8.388 0.864) 8.436 16.077 ( 1.841 -2.017 -5.336) 5.995 18.761 ( 5.754 2.917 -0.102) 6.452 18.795 ( 3.670 0.079 -1.386) 3.924 18.862 ( -0.013 -0.184 0.536) 0.566 18.998 ( 2.656 -1.791 -5.591) 6.443 19.211 ( 0.320 0.046 5.985) 5.994 19.231 ( 0.537 -0.644 5.245) 5.312 19.463 ( 0.121 0.216 -5.060) 5.066 19.482 ( 0.232 -0.213 -5.312) 5.321 19.867 ( -0.168 0.483 8.267) 8.282 19.907 ( -1.133 -0.456 8.324) 8.414 20.229 ( -0.388 0.413 -7.365) 7.386 20.248 ( -0.275 -0.202 -6.809) 6.817 20.496 ( -2.837 3.659 2.776) 5.398 20.686 ( -0.499 5.063 -5.594) 7.562 20.785 ( -0.909 -2.905 2.541) 3.965 20.968 ( -0.779 -1.072 -4.955) 5.130 24.262 ( -0.295 2.006 0.241) 2.041 24.352 ( 0.432 1.886 -3.589) 4.077 24.404 ( -2.687 -1.749 3.956) 5.092 24.645 ( -4.280 -4.520 -6.391) 8.921 25.138 ( 0.607 3.477 2.417) 4.278 25.250 ( 1.009 3.817 -2.503) 4.675 25.472 ( 1.800 -4.558 1.800) 5.221 25.543 ( 1.631 -2.772 -1.245) 3.449 26.700 ( 2.548 -0.345 6.242) 6.750 26.736 ( 1.908 0.658 5.364) 5.732 26.812 ( -5.730 -1.931 7.048) 9.286 26.861 ( -6.651 -1.242 4.634) 8.201 30.086 ( -0.922 1.544 0.406) 1.843 30.111 ( -0.748 2.412 -0.705) 2.622 30.274 ( 0.076 -2.604 0.362) 2.630 30.297 ( 0.264 -1.894 -0.617) 2.009 36.021 ( 3.984 3.705 7.045) 8.901 36.452 ( 6.094 0.990 -11.747) 13.271 36.611 ( 6.338 -9.261 8.804) 14.263 37.027 ( 4.756 -11.244 -9.040) 15.191 38.880 ( 0.448 7.731 0.483) 7.759 38.913 ( 0.397 10.661 -0.887) 10.705 39.252 ( -0.475 5.331 2.802) 6.041 39.415 ( 0.835 -4.542 6.436) 7.922 39.434 ( 0.464 3.742 -3.616) 5.224 39.481 ( -0.072 -5.102 1.885) 5.440 39.807 ( 2.138 -5.366 -2.055) 6.131 40.175 ( 3.934 -16.822 -16.459) 23.861 41.817 ( -0.259 18.671 4.276) 19.156 42.106 ( -1.674 31.537 -9.366) 32.941 43.136 ( -1.323 -12.112 9.430) 15.407 43.657 ( -4.649 -10.431 -12.854) 17.194 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 26.344 6.909) 27.235 1.774 ( 0.000 10.460 25.251) 27.332 1.885 ( 0.000 6.848 11.516) 13.398 2.057 ( 0.000 5.768 9.103) 10.776 2.084 ( 0.000 -7.541 4.081) 8.575 2.152 ( 0.000 10.625 -3.795) 11.282 2.268 ( 0.000 5.961 11.343) 12.813 2.384 ( 0.000 -9.588 -3.831) 10.325 2.431 ( 0.000 9.159 9.801) 13.415 2.603 ( 0.000 -3.183 4.519) 5.527 2.756 ( 0.000 1.038 6.161) 6.248 2.850 ( 0.000 -5.403 8.219) 9.836 2.856 ( 0.000 1.457 4.142) 4.391 2.899 ( 0.000 -5.527 10.345) 11.729 3.270 ( 0.000 -0.491 21.539) 21.545 3.278 ( 0.000 -0.267 17.892) 17.894 3.399 ( 0.000 5.825 -6.143) 8.466 3.530 ( 0.000 -5.487 -7.071) 8.950 4.092 ( 0.000 4.282 -4.848) 6.469 4.184 ( 0.000 -3.710 -10.386) 11.029 4.416 ( 0.000 5.913 0.391) 5.926 4.551 ( 0.000 -7.915 4.321) 9.018 4.730 ( 0.000 11.736 -13.026) 17.533 4.942 ( 0.000 -7.442 -11.431) 13.640 5.234 ( 0.000 6.108 0.304) 6.115 5.353 ( 0.000 -4.711 -2.354) 5.267 5.450 ( 0.000 8.373 -6.742) 10.750 5.512 ( 0.000 1.458 -12.760) 12.843 5.836 ( 0.000 0.754 0.993) 1.247 5.875 ( 0.000 -3.913 1.962) 4.377 5.949 ( 0.000 10.633 -2.840) 11.005 6.101 ( 0.000 15.453 -1.408) 15.517 6.188 ( 0.000 -6.611 -4.838) 8.192 6.349 ( 0.000 2.712 -11.320) 11.640 6.410 ( 0.000 -9.952 -1.942) 10.139 6.439 ( 0.000 -6.430 -3.561) 7.350 6.707 ( 0.000 8.099 0.713) 8.130 6.805 ( 0.000 4.386 -2.550) 5.073 6.878 ( 0.000 -3.950 0.698) 4.011 6.916 ( 0.000 -0.939 2.441) 2.616 6.925 ( 0.000 -0.809 3.590) 3.680 6.927 ( 0.000 -9.849 0.076) 9.850 7.032 ( 0.000 -0.984 0.819) 1.280 7.076 ( 0.000 -2.694 -1.191) 2.946 7.227 ( 0.000 1.422 4.726) 4.935 7.406 ( 0.000 2.718 -3.348) 4.312 7.448 ( 0.000 -21.787 4.295) 22.206 7.560 ( 0.000 -14.068 0.397) 14.074 7.707 ( 0.000 1.967 7.586) 7.837 7.770 ( 0.000 -6.174 6.469) 8.943 7.942 ( 0.000 3.057 -2.219) 3.777 7.944 ( 0.000 2.353 1.412) 2.744 8.206 ( 0.000 4.961 4.358) 6.603 8.279 ( 0.000 -2.529 0.985) 2.714 8.349 ( 0.000 2.039 -1.235) 2.384 8.375 ( 0.000 -0.359 -1.613) 1.652 8.394 ( 0.000 -1.769 2.882) 3.381 8.470 ( 0.000 -9.755 6.151) 11.532 8.555 ( 0.000 -1.832 -0.091) 1.834 8.570 ( 0.000 -1.947 -3.761) 4.235 9.188 ( 0.000 10.499 2.190) 10.725 9.280 ( 0.000 4.709 -1.869) 5.067 9.391 ( 0.000 -7.693 0.821) 7.737 9.424 ( 0.000 -10.574 -0.656) 10.595 10.309 ( 0.000 10.300 4.216) 11.130 10.404 ( 0.000 3.219 2.941) 4.360 10.493 ( 0.000 4.855 -0.252) 4.862 10.538 ( 0.000 1.854 -4.291) 4.675 10.983 ( 0.000 8.734 1.457) 8.854 11.125 ( 0.000 -3.862 0.860) 3.956 11.142 ( 0.000 9.974 -5.751) 11.514 11.266 ( 0.000 -2.172 -5.492) 5.906 12.408 ( 0.000 1.912 2.844) 3.427 12.445 ( 0.000 -1.867 2.282) 2.949 12.579 ( 0.000 3.849 -3.586) 5.261 12.656 ( 0.000 -1.698 -9.331) 9.485 14.223 ( 0.000 0.642 1.043) 1.225 14.261 ( 0.000 -3.061 1.033) 3.231 14.344 ( 0.000 1.454 -5.446) 5.637 14.361 ( 0.000 -0.832 -3.712) 3.804 15.557 ( 0.000 7.029 -1.040) 7.106 15.584 ( 0.000 8.811 -2.091) 9.055 15.696 ( 0.000 -6.009 0.117) 6.010 15.774 ( 0.000 -9.133 -2.803) 9.553 18.390 ( 0.000 4.417 1.389) 4.630 18.465 ( 0.000 3.509 -1.899) 3.990 18.478 ( 0.000 -3.917 1.024) 4.049 18.530 ( 0.000 -2.700 -1.299) 2.996 19.193 ( 0.000 0.037 5.882) 5.882 19.195 ( 0.000 -0.098 5.878) 5.879 19.458 ( 0.000 0.099 -5.582) 5.583 19.461 ( 0.000 -0.106 -5.601) 5.602 19.903 ( 0.000 1.593 8.668) 8.813 19.954 ( 0.000 -3.531 8.477) 9.183 20.257 ( 0.000 0.256 -6.930) 6.935 20.266 ( 0.000 -0.621 -5.848) 5.881 20.743 ( 0.000 -0.054 5.223) 5.224 20.744 ( 0.000 -0.195 3.029) 3.036 20.898 ( 0.000 4.805 -3.616) 6.013 20.995 ( 0.000 -4.388 -5.696) 7.190 24.369 ( 0.000 5.245 1.013) 5.342 24.506 ( 0.000 -8.196 4.232) 9.225 24.547 ( 0.000 11.038 -5.890) 12.512 24.791 ( 0.000 -11.919 -7.022) 13.834 25.180 ( 0.000 1.404 2.356) 2.742 25.196 ( 0.000 -0.458 2.168) 2.215 25.281 ( 0.000 0.782 -1.781) 1.945 25.296 ( 0.000 -0.834 -3.185) 3.293 26.757 ( 0.000 10.127 8.945) 13.512 26.841 ( 0.000 7.920 3.311) 8.584 27.034 ( 0.000 -12.749 9.564) 15.938 27.095 ( 0.000 -22.409 11.029) 24.976 30.188 ( 0.000 2.042 0.205) 2.052 30.201 ( 0.000 2.083 -0.388) 2.119 30.230 ( 0.000 -1.965 0.188) 1.974 30.244 ( 0.000 -1.973 -0.429) 2.019 35.731 ( 0.000 5.757 1.660) 5.992 35.819 ( 0.000 5.656 -2.131) 6.045 35.856 ( 0.000 -5.940 1.311) 6.083 35.940 ( 0.000 -5.766 -2.305) 6.209 39.017 ( 0.000 9.808 1.313) 9.895 39.060 ( 0.000 8.377 0.124) 8.378 39.205 ( 0.000 -7.308 2.311) 7.664 39.220 ( 0.000 -7.909 1.507) 8.051 39.466 ( 0.000 4.548 -0.704) 4.602 39.557 ( 0.000 -4.228 -1.031) 4.352 39.563 ( 0.000 4.559 -4.184) 6.188 39.653 ( 0.000 -4.025 -4.601) 6.113 42.362 ( 0.000 27.619 12.054) 30.135 42.883 ( 0.000 -22.066 15.443) 26.933 43.288 ( 0.000 36.692 -34.330) 50.248 43.838 ( 0.000 -18.618 -27.778) 33.440 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 6.333 21.886 8.419) 24.289 1.885 ( 6.975 7.507 23.863) 25.970 1.928 ( 3.615 3.633 12.334) 13.356 2.048 ( 0.767 5.623 9.236) 10.840 2.111 ( 1.883 -9.284 4.945) 10.686 2.187 ( 0.997 -0.686 2.700) 2.959 2.376 ( 11.908 7.541 2.887) 14.388 2.497 ( 8.896 -4.931 -0.445) 10.181 2.547 ( 5.688 6.595 5.771) 10.448 2.661 ( 8.201 0.032 9.218) 12.338 2.751 ( 1.039 1.167 6.717) 6.896 2.823 ( 0.026 -1.911 7.844) 8.074 2.877 ( 2.178 -0.009 3.120) 3.805 2.922 ( 2.493 -5.153 7.259) 9.245 3.222 ( -0.992 2.663 6.095) 6.725 3.278 ( -0.773 -2.724 9.420) 9.837 3.528 ( 9.487 7.197 3.872) 12.521 3.613 ( 5.012 0.925 5.157) 7.250 3.942 ( -5.963 -2.732 -1.046) 6.642 3.989 ( -13.641 -5.000 0.006) 14.529 4.635 ( 12.165 5.923 -7.083) 15.272 4.681 ( 0.259 10.524 -11.238) 15.399 4.719 ( 8.705 -3.367 -8.455) 12.593 4.917 ( -2.194 -8.817 -12.772) 15.674 5.294 ( 6.111 5.680 1.742) 8.523 5.399 ( 5.078 -3.898 -1.022) 6.483 5.540 ( 7.571 6.330 -5.888) 11.492 5.569 ( 4.667 2.536 -9.141) 10.572 5.762 ( -6.177 1.330 1.475) 6.488 5.819 ( -4.669 -4.378 2.244) 6.783 5.959 ( -0.014 8.260 -3.001) 8.788 6.080 ( -2.301 12.632 0.459) 12.848 6.153 ( -3.052 -6.026 -6.029) 9.054 6.291 ( -5.103 3.153 -9.809) 11.498 6.350 ( -5.167 -9.739 -0.225) 11.028 6.405 ( -3.458 -6.542 -3.487) 8.180 6.688 ( -1.983 7.632 0.932) 7.940 6.788 ( -2.015 4.886 -2.423) 5.814 6.859 ( -2.078 -5.148 -0.133) 5.553 6.916 ( -1.920 -5.465 -1.641) 6.020 6.969 ( 5.971 0.004 1.963) 6.286 6.983 ( 3.926 -0.636 2.260) 4.574 7.094 ( 6.523 0.127 0.421) 6.538 7.121 ( 2.832 -1.938 -2.213) 4.084 7.279 ( 6.840 1.319 3.726) 7.900 7.407 ( -0.071 -3.970 0.247) 3.979 7.519 ( 8.697 -12.501 1.772) 15.331 7.580 ( 4.415 -11.782 1.998) 12.739 7.694 ( -1.430 2.480 6.253) 6.877 7.789 ( 1.097 -7.407 4.880) 8.938 7.910 ( -1.405 4.885 -0.403) 5.099 7.974 ( 0.900 -0.874 -0.235) 1.276 8.172 ( -3.229 2.525 3.229) 5.218 8.218 ( -4.397 -2.851 4.356) 6.814 8.342 ( -0.294 2.123 -1.998) 2.929 8.373 ( -0.380 -0.770 -1.634) 1.846 8.396 ( -0.563 0.135 1.832) 1.922 8.459 ( -1.400 -6.312 4.474) 7.863 8.545 ( -1.191 -0.920 -2.281) 2.733 8.565 ( -0.245 -2.505 -2.984) 3.904 9.252 ( 4.250 11.422 1.660) 12.300 9.260 ( 1.126 7.782 1.031) 7.931 9.451 ( 4.387 -7.967 1.603) 9.235 9.546 ( 8.275 -13.545 -1.894) 15.985 10.267 ( -3.202 7.347 3.320) 8.675 10.348 ( -4.792 0.453 2.705) 5.522 10.432 ( -6.066 5.614 -2.368) 8.598 10.459 ( -4.586 5.137 -2.112) 7.203 10.926 ( -6.036 10.426 1.222) 12.109 10.952 ( -9.701 8.902 0.403) 13.173 11.261 ( -0.436 -5.804 -4.476) 7.342 11.268 ( 0.287 -6.493 -4.527) 7.920 12.397 ( -0.899 1.787 1.801) 2.692 12.432 ( -1.252 -1.382 1.978) 2.718 12.525 ( -4.862 3.347 -3.229) 6.728 12.591 ( -6.276 -2.070 -6.152) 9.029 14.174 ( -3.605 3.894 1.009) 5.402 14.227 ( -4.840 2.197 -0.660) 5.356 14.319 ( -0.127 -4.039 -1.870) 4.453 14.357 ( -0.123 -4.573 -2.757) 5.341 15.548 ( -2.484 9.444 -0.035) 9.766 15.598 ( 4.535 8.647 -2.871) 10.177 15.741 ( 0.763 -8.064 -0.801) 8.139 15.777 ( 3.961 -9.006 -2.126) 10.066 18.496 ( 8.565 4.792 0.281) 9.818 18.559 ( 8.263 2.823 -2.612) 9.115 18.584 ( 9.584 -2.921 -0.064) 10.019 18.632 ( 9.613 -3.331 -2.127) 10.394 19.196 ( 0.274 0.103 5.902) 5.909 19.199 ( 0.394 -0.174 5.862) 5.878 19.460 ( 0.135 0.165 -5.513) 5.518 19.463 ( 0.252 -0.178 -5.564) 5.573 19.899 ( -0.394 1.433 8.603) 8.731 19.943 ( -1.121 -2.856 8.459) 8.999 20.253 ( -0.347 0.237 -6.973) 6.985 20.261 ( -0.455 -0.517 -6.068) 6.107 20.718 ( -2.007 1.532 3.248) 4.114 20.752 ( -0.136 -1.569 3.599) 3.929 20.869 ( -2.442 5.002 -3.718) 6.693 20.970 ( -2.173 -4.539 -5.314) 7.319 24.357 ( -1.198 4.658 1.039) 4.921 24.474 ( -3.021 -6.123 3.574) 7.707 24.525 ( -2.259 9.159 -5.215) 10.779 24.744 ( -4.593 -10.940 -6.936) 13.743 25.180 ( 0.601 2.965 2.430) 3.880 25.224 ( 2.551 -0.371 1.817) 3.154 25.291 ( 1.648 0.990 -1.521) 2.451 25.341 ( 3.399 -2.933 -2.652) 5.215 26.739 ( -1.541 8.149 8.504) 11.878 26.824 ( -1.665 6.918 3.310) 7.847 26.977 ( -5.836 -12.931 10.046) 17.384 27.019 ( -5.913 -14.367 8.998) 17.954 30.180 ( -0.816 2.130 0.264) 2.296 30.197 ( -0.500 2.080 -0.436) 2.183 30.227 ( -0.322 -2.177 0.183) 2.208 30.242 ( -0.122 -2.096 -0.464) 2.150 35.815 ( 7.307 5.680 3.398) 9.859 35.909 ( 12.011 -1.852 2.663) 12.441 36.044 ( 12.860 -0.429 -4.202) 13.536 36.138 ( 19.369 -7.869 -4.939) 21.482 39.029 ( 1.167 10.026 1.377) 10.187 39.074 ( 1.330 8.555 0.173) 8.659 39.221 ( 1.558 -7.221 2.459) 7.786 39.236 ( 1.567 -8.091 1.689) 8.412 39.454 ( -0.987 5.702 -0.151) 5.789 39.559 ( 0.556 0.220 -2.428) 2.501 39.586 ( 1.729 -0.006 -3.365) 3.784 39.695 ( 3.906 -6.224 -5.868) 9.404 42.347 ( -1.412 27.088 11.233) 29.359 42.853 ( -2.873 -19.707 13.748) 24.200 43.184 ( -9.562 33.722 -28.783) 45.355 43.733 ( -9.919 -19.515 -24.902) 33.156 ======================= Grid point 86 (35/48) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 9.510 11.195 7.743) 16.605 1.951 ( 1.586 3.906 9.654) 10.534 2.042 ( 6.245 7.652 14.781) 17.777 2.103 ( 4.293 -0.422 15.976) 16.548 2.159 ( 3.792 -2.502 7.793) 9.020 2.227 ( 3.014 -8.153 1.417) 8.807 2.494 ( -4.106 3.384 7.480) 9.180 2.554 ( -1.624 0.324 4.255) 4.566 2.605 ( 3.453 1.437 10.536) 11.180 2.753 ( 1.549 -8.546 14.898) 17.245 2.909 ( 6.733 5.526 3.094) 9.244 2.959 ( 12.615 2.594 1.948) 13.026 3.006 ( 8.916 -1.348 2.009) 9.239 3.020 ( 9.989 -3.368 1.103) 10.599 3.246 ( 3.250 2.485 -1.159) 4.252 3.263 ( -0.469 1.384 3.417) 3.717 3.525 ( -5.495 8.164 10.448) 14.353 3.708 ( -10.796 -8.751 7.760) 15.917 3.812 ( 12.195 11.190 2.908) 16.804 4.055 ( 12.468 -11.906 -1.471) 17.302 4.569 ( -6.358 13.284 -7.888) 16.706 4.793 ( -3.306 -6.257 -9.922) 12.187 4.870 ( 4.856 1.228 -12.136) 13.129 4.924 ( 4.290 -5.277 -15.126) 16.585 5.453 ( 8.832 5.330 3.477) 10.886 5.528 ( 5.387 -2.091 2.156) 6.167 5.585 ( -1.349 5.197 2.790) 6.051 5.669 ( 4.402 -0.467 -0.295) 4.437 5.732 ( 3.082 1.141 -6.258) 7.068 5.761 ( 1.596 -1.950 -2.559) 3.592 5.929 ( -2.696 4.533 -4.739) 7.090 5.994 ( -6.013 2.975 1.047) 6.790 6.103 ( -1.723 -3.142 -6.866) 7.745 6.177 ( -5.817 1.222 -6.531) 8.831 6.241 ( -6.145 -9.163 0.436) 11.041 6.310 ( -5.970 -9.002 -2.418) 11.069 6.617 ( -5.696 4.234 0.666) 7.129 6.704 ( -6.251 -1.603 -0.591) 6.480 6.800 ( -4.010 -0.138 -4.491) 6.022 6.856 ( -2.336 -3.160 -4.037) 5.634 7.092 ( 6.847 0.868 1.422) 7.046 7.122 ( 8.002 -1.348 2.657) 8.539 7.196 ( 8.091 7.246 -2.438) 11.132 7.281 ( 9.617 0.733 -2.260) 9.906 7.468 ( 9.989 6.928 2.963) 12.513 7.493 ( 11.749 7.861 2.543) 14.362 7.627 ( -1.943 1.095 6.844) 7.198 7.670 ( 0.384 -3.276 6.023) 6.867 7.792 ( 13.079 -9.619 -0.235) 16.236 7.847 ( 8.094 -9.280 0.338) 12.319 7.902 ( 0.521 2.460 -2.187) 3.332 7.956 ( -2.231 -2.939 -1.614) 4.028 8.117 ( -0.025 1.053 5.375) 5.478 8.168 ( -0.944 -3.571 5.009) 6.224 8.321 ( -2.807 2.898 0.620) 4.082 8.349 ( -0.980 -0.405 -2.049) 2.307 8.384 ( -0.072 0.299 0.587) 0.662 8.443 ( 0.754 -4.746 1.952) 5.187 8.525 ( -0.475 0.958 -3.441) 3.604 8.557 ( -0.457 -1.798 -4.257) 4.644 9.261 ( -1.138 10.354 3.521) 10.996 9.339 ( 2.474 11.298 0.490) 11.576 9.490 ( -1.943 -9.396 3.035) 10.063 9.633 ( -0.895 -14.211 -2.392) 14.439 10.203 ( -3.189 5.727 2.425) 6.990 10.276 ( -1.425 -0.017 1.583) 2.130 10.351 ( -3.101 3.669 -2.339) 5.343 10.379 ( -2.114 3.369 -1.486) 4.246 10.743 ( -11.164 11.172 1.447) 15.860 10.784 ( -7.128 11.885 -0.135) 13.859 11.061 ( -15.882 -8.539 -0.602) 18.042 11.200 ( -10.894 -14.518 -6.168) 19.170 12.385 ( -0.365 2.519 0.387) 2.574 12.402 ( -1.441 0.661 0.656) 1.716 12.433 ( -3.062 -2.082 -0.263) 3.712 12.483 ( -2.781 -2.771 -1.381) 4.162 14.102 ( -3.499 7.679 1.108) 8.511 14.154 ( -2.037 8.397 -0.936) 8.691 14.294 ( -1.884 -8.229 0.746) 8.475 14.383 ( 1.716 -11.360 -2.878) 11.844 15.530 ( 0.962 9.397 3.166) 9.963 15.713 ( 3.896 0.661 -1.878) 4.375 15.755 ( 4.492 -1.468 -2.180) 5.204 15.901 ( 6.720 -6.986 -5.231) 11.015 18.674 ( 8.840 3.581 0.406) 9.546 18.706 ( 6.480 0.541 -0.584) 6.528 18.788 ( 8.472 0.198 -2.852) 8.942 18.826 ( 8.875 -3.208 -4.614) 10.504 19.204 ( 0.508 0.190 5.941) 5.965 19.209 ( 0.611 -0.318 5.828) 5.869 19.464 ( 0.269 0.272 -5.340) 5.354 19.470 ( 0.375 -0.288 -5.424) 5.444 19.889 ( -0.570 1.050 8.476) 8.560 19.916 ( -1.400 -1.568 8.422) 8.680 20.244 ( -0.504 0.249 -7.058) 7.080 20.250 ( -0.537 -0.356 -6.591) 6.623 20.658 ( -3.923 3.779 2.710) 6.084 20.733 ( -1.686 -3.107 3.159) 4.741 20.828 ( -1.403 5.244 -4.921) 7.327 20.932 ( -1.304 -4.356 -5.299) 6.983 24.330 ( -1.371 3.342 1.005) 3.749 24.407 ( -3.350 -3.809 2.894) 5.840 24.468 ( -3.204 6.812 -4.451) 8.745 24.631 ( -6.251 -8.315 -6.124) 12.072 25.205 ( 1.701 4.700 2.501) 5.589 25.286 ( 3.433 0.282 0.849) 3.548 25.334 ( 2.259 -0.485 -0.744) 2.427 25.410 ( 3.385 -4.455 -2.281) 6.042 26.711 ( -1.049 4.183 7.513) 8.663 26.783 ( -2.513 3.099 4.856) 6.285 26.848 ( -5.494 -6.165 8.254) 11.676 26.910 ( -5.175 -6.244 5.362) 9.721 30.157 ( -1.385 2.625 0.456) 3.003 30.184 ( -0.722 2.664 -0.664) 2.839 30.217 ( -0.591 -2.916 0.329) 2.993 30.242 ( 0.067 -2.663 -0.688) 2.751 35.997 ( 10.001 7.557 5.986) 13.891 36.179 ( 13.513 -9.199 6.307) 17.522 36.327 ( 14.410 5.863 -7.691) 17.354 36.527 ( 17.532 -12.710 -8.278) 23.183 39.056 ( 1.468 10.545 1.539) 10.758 39.104 ( 1.553 8.883 0.392) 9.026 39.257 ( 1.883 -6.990 3.111) 7.880 39.273 ( 1.959 -8.877 2.079) 9.325 39.437 ( -0.660 8.197 0.217) 8.226 39.577 ( 1.132 4.363 -4.074) 6.075 39.623 ( 1.930 -4.166 -3.131) 5.557 39.782 ( 4.450 -10.863 -8.120) 14.273 42.315 ( -1.691 26.025 9.419) 27.729 42.788 ( -3.239 -11.435 8.539) 14.635 42.974 ( -10.549 23.393 -16.835) 30.691 43.505 ( -11.833 -20.977 -18.803) 30.555 ======================= Grid point 87 (36/48) ======================= q-point: ( 0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.716 3.291 7.593) 8.306 2.013 ( 3.916 0.095 7.383) 8.358 2.153 ( 3.833 5.735 4.265) 8.110 2.171 ( 3.693 4.540 8.325) 10.176 2.249 ( 0.237 -1.756 15.103) 15.206 2.277 ( 3.629 -4.109 5.700) 7.909 2.412 ( -1.579 0.926 11.328) 11.475 2.468 ( -5.111 -3.297 8.864) 10.749 2.659 ( 1.859 4.317 11.835) 12.735 2.750 ( -1.490 -2.397 12.005) 12.332 3.014 ( 3.316 2.225 5.301) 6.637 3.062 ( 0.337 -3.419 4.660) 5.789 3.129 ( 3.571 3.047 6.939) 8.377 3.233 ( 6.661 -3.201 0.039) 7.390 3.285 ( 2.117 5.290 0.170) 5.701 3.324 ( 3.103 0.994 -1.850) 3.746 3.467 ( -0.146 1.663 5.217) 5.478 3.527 ( -6.372 -3.190 6.567) 9.690 4.077 ( 12.980 9.890 -4.851) 17.025 4.262 ( 2.433 -3.663 -14.429) 15.084 4.471 ( 1.502 2.745 9.184) 9.702 4.648 ( -10.349 -10.118 -1.135) 14.518 4.899 ( -0.168 2.531 -10.472) 10.775 4.956 ( -0.543 -2.703 -11.499) 11.825 5.542 ( 1.161 0.104 0.449) 1.249 5.549 ( 1.082 0.839 -0.275) 1.397 5.696 ( 6.280 2.701 -1.721) 7.050 5.733 ( 0.605 -0.381 -3.319) 3.395 5.793 ( 2.684 0.264 -2.506) 3.682 5.808 ( 1.235 -1.056 -3.945) 4.266 5.891 ( -0.711 -0.520 -1.112) 1.418 5.900 ( -2.501 -1.551 1.428) 3.271 6.073 ( -2.178 -0.649 -5.287) 5.755 6.113 ( 0.346 -2.415 -5.874) 6.360 6.124 ( -3.977 -2.732 -0.241) 4.831 6.202 ( -4.005 -7.929 -2.507) 9.230 6.504 ( -4.113 1.871 -0.210) 4.523 6.580 ( -4.844 -5.232 1.197) 7.229 6.739 ( -1.740 3.382 -8.084) 8.934 6.831 ( -0.593 -5.206 -7.266) 8.959 7.221 ( 5.120 1.256 1.999) 5.638 7.251 ( 4.843 -1.732 3.605) 6.281 7.351 ( 4.993 3.611 -1.871) 6.440 7.392 ( 0.859 -0.456 -1.171) 1.523 7.537 ( -0.789 2.163 7.200) 7.559 7.577 ( -2.915 -1.257 5.940) 6.735 7.755 ( 6.764 6.727 0.183) 9.541 7.784 ( 8.254 6.201 1.179) 10.391 7.882 ( 3.669 5.966 -0.646) 7.033 7.919 ( 2.477 5.260 -1.632) 6.039 7.995 ( 2.814 1.423 1.471) 3.480 8.019 ( 5.219 -1.700 -0.644) 5.526 8.151 ( 0.753 3.280 3.460) 4.827 8.216 ( 4.447 -3.973 3.191) 6.763 8.268 ( -1.436 4.396 2.076) 5.069 8.346 ( 0.589 -2.706 -0.468) 2.809 8.398 ( 1.421 2.258 0.271) 2.681 8.495 ( 2.848 -5.363 0.864) 6.133 8.525 ( 0.204 2.761 -2.969) 4.059 8.554 ( 0.228 -0.614 -5.032) 5.075 9.192 ( -4.502 8.127 4.763) 10.440 9.343 ( -1.173 5.766 -1.730) 6.133 9.397 ( -4.511 -10.899 3.253) 12.236 9.523 ( -7.263 -10.545 -2.001) 12.960 10.161 ( -1.043 6.856 2.266) 7.296 10.280 ( 1.415 0.671 0.563) 1.664 10.310 ( -1.213 1.928 -1.513) 2.734 10.359 ( -0.809 1.066 -0.590) 1.462 10.585 ( -3.571 6.360 1.207) 7.394 10.701 ( -0.693 5.132 -3.437) 6.215 10.759 ( -11.129 -9.283 2.516) 14.709 10.934 ( -11.812 -12.088 -4.559) 17.505 12.373 ( -0.046 2.172 1.064) 2.419 12.407 ( 0.784 -0.342 -0.111) 0.863 12.412 ( 0.043 -0.945 1.565) 1.829 12.471 ( 0.282 -4.322 -0.749) 4.395 14.052 ( -1.384 9.369 1.407) 9.575 14.130 ( -0.665 11.290 -1.836) 11.457 14.266 ( -0.823 -10.795 2.322) 11.073 14.403 ( 0.407 -14.964 -3.466) 15.366 15.564 ( 1.504 8.039 5.256) 9.722 15.738 ( 0.524 -8.899 3.985) 9.765 15.874 ( 4.173 7.851 -8.296) 12.160 16.004 ( 3.071 -4.966 -7.314) 9.359 18.793 ( 2.300 0.761 0.129) 2.426 18.808 ( 3.984 -0.195 0.838) 4.076 18.883 ( 1.821 2.860 -3.412) 4.810 18.948 ( 3.233 -2.967 -5.223) 6.821 19.212 ( 0.262 0.156 6.031) 6.039 19.219 ( 0.254 -0.480 5.891) 5.916 19.468 ( 0.163 0.351 -5.156) 5.170 19.476 ( 0.210 -0.354 -5.258) 5.274 19.880 ( -0.262 0.711 8.390) 8.424 19.895 ( -0.627 -0.709 8.393) 8.446 20.236 ( -0.247 0.331 -7.178) 7.189 20.243 ( -0.231 -0.293 -6.959) 6.969 20.593 ( -2.032 5.380 3.375) 6.668 20.701 ( -1.142 -4.832 3.543) 6.100 20.813 ( -0.290 6.244 -6.510) 9.025 20.920 ( -0.154 -3.858 -6.074) 7.198 24.310 ( -0.545 2.446 0.875) 2.654 24.359 ( -1.320 -2.322 2.349) 3.557 24.419 ( -1.348 4.592 -3.979) 6.224 24.532 ( -3.098 -5.999 -5.091) 8.456 25.233 ( 0.876 5.578 2.463) 6.161 25.343 ( 2.061 2.043 -0.807) 3.012 25.363 ( 0.485 -2.772 0.556) 2.869 25.460 ( 1.457 -5.068 -2.143) 5.692 26.704 ( 0.328 0.777 7.120) 7.170 26.730 ( -2.260 -1.386 7.781) 8.220 26.796 ( -0.226 0.792 3.571) 3.665 26.827 ( -3.066 -1.847 3.691) 5.141 30.135 ( -0.673 3.169 0.637) 3.302 30.173 ( -0.321 3.405 -0.982) 3.558 30.207 ( -0.321 -3.652 0.581) 3.712 30.243 ( 0.042 -3.229 -0.941) 3.364 36.149 ( 4.505 8.993 7.413) 12.495 36.376 ( 5.570 -12.374 8.002) 15.754 36.540 ( 6.095 7.850 -9.369) 13.658 36.762 ( 6.118 -13.142 -8.551) 16.831 39.078 ( 0.655 10.989 1.690) 11.138 39.127 ( 0.629 9.034 0.724) 9.085 39.285 ( 0.781 -7.223 4.125) 8.355 39.304 ( 0.929 -9.921 2.349) 10.238 39.428 ( -0.209 10.888 -0.135) 10.891 39.595 ( 0.575 9.502 -6.068) 11.289 39.653 ( 0.908 -9.167 -2.533) 9.553 39.848 ( 1.892 -14.390 -9.553) 17.375 42.289 ( -0.752 25.358 7.994) 26.599 42.751 ( -0.027 7.009 -1.598) 7.189 42.811 ( -5.601 2.797 -2.714) 6.824 43.329 ( -5.094 -21.705 -14.193) 26.429 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 0.000 -14.984) 14.984 0.932 ( 0.000 0.000 14.984) 14.984 1.088 ( 0.000 0.000 -14.971) 14.971 1.088 ( 0.000 0.000 14.971) 14.971 2.477 ( 0.000 0.000 -14.630) 14.630 2.477 ( 0.000 0.000 14.630) 14.630 2.502 ( 0.000 0.000 -15.226) 15.226 2.502 ( 0.000 0.000 15.226) 15.226 2.611 ( 0.000 0.000 -4.161) 4.161 2.611 ( 0.000 0.000 4.161) 4.161 2.615 ( 0.000 0.000 -12.616) 12.616 2.615 ( 0.000 0.000 12.616) 12.616 2.970 ( 0.000 0.000 -10.576) 10.576 2.970 ( 0.000 0.000 10.576) 10.576 3.606 ( 0.000 0.000 -2.645) 2.645 3.606 ( 0.000 0.000 2.645) 2.645 3.700 ( 0.000 0.000 -23.706) 23.706 3.700 ( 0.000 0.000 23.706) 23.706 3.842 ( 0.000 0.000 -22.602) 22.602 3.842 ( 0.000 0.000 22.602) 22.602 4.260 ( 0.000 0.000 -8.100) 8.100 4.260 ( 0.000 0.000 8.100) 8.100 4.861 ( 0.000 0.000 -0.640) 0.640 4.861 ( 0.000 0.000 0.640) 0.640 5.237 ( 0.000 0.000 -1.082) 1.082 5.237 ( 0.000 0.000 1.082) 1.082 5.238 ( 0.000 0.000 -5.041) 5.041 5.238 ( 0.000 0.000 5.041) 5.041 5.828 ( 0.000 0.000 -2.244) 2.244 5.828 ( 0.000 0.000 2.244) 2.244 6.056 ( 0.000 0.000 -9.707) 9.707 6.056 ( 0.000 0.000 9.707) 9.707 6.081 ( 0.000 0.000 -6.053) 6.053 6.081 ( 0.000 0.000 6.053) 6.053 6.507 ( 0.000 0.000 -0.934) 0.934 6.507 ( 0.000 0.000 0.934) 0.934 6.594 ( 0.000 0.000 -2.567) 2.567 6.594 ( 0.000 0.000 2.567) 2.567 6.920 ( 0.000 0.000 -0.203) 0.203 6.920 ( 0.000 0.000 0.203) 0.203 7.025 ( 0.000 0.000 -3.435) 3.435 7.025 ( 0.000 0.000 3.435) 3.435 7.249 ( 0.000 0.000 -4.303) 4.303 7.249 ( 0.000 0.000 4.303) 4.303 7.343 ( 0.000 0.000 -0.048) 0.048 7.343 ( 0.000 0.000 0.048) 0.048 7.723 ( 0.000 0.000 -1.907) 1.907 7.723 ( 0.000 0.000 1.907) 1.907 7.873 ( 0.000 0.000 -3.087) 3.087 7.873 ( 0.000 0.000 3.087) 3.087 8.174 ( 0.000 0.000 -8.078) 8.078 8.174 ( 0.000 0.000 8.078) 8.078 8.236 ( 0.000 0.000 -0.277) 0.277 8.236 ( 0.000 0.000 0.277) 0.277 8.401 ( 0.000 0.000 -4.166) 4.166 8.401 ( 0.000 0.000 4.166) 4.166 8.612 ( 0.000 0.000 -1.813) 1.813 8.612 ( 0.000 0.000 1.813) 1.813 8.997 ( 0.000 0.000 -2.739) 2.739 8.997 ( 0.000 0.000 2.739) 2.739 9.119 ( 0.000 0.000 -20.176) 20.176 9.119 ( 0.000 0.000 20.176) 20.176 9.766 ( 0.000 0.000 -1.704) 1.704 9.766 ( 0.000 0.000 1.704) 1.704 9.938 ( 0.000 0.000 -0.012) 0.012 9.938 ( 0.000 0.000 0.012) 0.012 10.017 ( 0.000 0.000 -4.441) 4.441 10.017 ( 0.000 0.000 4.441) 4.441 10.791 ( 0.000 0.000 -1.967) 1.967 10.791 ( 0.000 0.000 1.967) 1.967 11.183 ( 0.000 0.000 -4.503) 4.503 11.183 ( 0.000 0.000 4.503) 4.503 12.344 ( 0.000 0.000 -0.410) 0.410 12.344 ( 0.000 0.000 0.410) 0.410 12.510 ( 0.000 0.000 -0.185) 0.185 12.510 ( 0.000 0.000 0.185) 0.185 14.251 ( 0.000 0.000 -0.696) 0.696 14.251 ( 0.000 0.000 0.696) 0.696 14.392 ( 0.000 0.000 -0.899) 0.899 14.392 ( 0.000 0.000 0.899) 0.899 15.390 ( 0.000 0.000 -0.037) 0.037 15.390 ( 0.000 0.000 0.037) 0.037 15.895 ( 0.000 0.000 -4.185) 4.185 15.895 ( 0.000 0.000 4.185) 4.185 18.320 ( 0.000 0.000 -2.251) 2.251 18.320 ( 0.000 0.000 2.251) 2.251 18.574 ( 0.000 0.000 -0.537) 0.537 18.574 ( 0.000 0.000 0.537) 0.537 19.326 ( 0.000 0.000 -6.520) 6.520 19.326 ( 0.000 0.000 6.520) 6.520 19.332 ( 0.000 0.000 -6.588) 6.588 19.332 ( 0.000 0.000 6.588) 6.588 20.069 ( 0.000 0.000 -9.319) 9.319 20.069 ( 0.000 0.000 9.319) 9.319 20.189 ( 0.000 0.000 -4.725) 4.725 20.189 ( 0.000 0.000 4.725) 4.725 20.764 ( 0.000 0.000 -0.466) 0.466 20.764 ( 0.000 0.000 0.466) 0.466 20.921 ( 0.000 0.000 -8.500) 8.500 20.921 ( 0.000 0.000 8.500) 8.500 24.259 ( 0.000 0.000 -0.697) 0.697 24.259 ( 0.000 0.000 0.697) 0.697 25.000 ( 0.000 0.000 -5.166) 5.166 25.000 ( 0.000 0.000 5.166) 5.166 25.134 ( 0.000 0.000 -4.530) 4.530 25.134 ( 0.000 0.000 4.530) 4.530 25.234 ( 0.000 0.000 -0.646) 0.646 25.234 ( 0.000 0.000 0.646) 0.646 26.665 ( 0.000 0.000 -2.356) 2.356 26.665 ( 0.000 0.000 2.356) 2.356 27.884 ( 0.000 0.000 -22.495) 22.495 27.884 ( 0.000 0.000 22.495) 22.495 30.144 ( 0.000 0.000 -0.308) 0.308 30.144 ( 0.000 0.000 0.308) 0.308 30.280 ( 0.000 0.000 -0.450) 0.450 30.280 ( 0.000 0.000 0.450) 0.450 35.644 ( 0.000 0.000 -2.210) 2.210 35.644 ( 0.000 0.000 2.210) 2.210 36.018 ( 0.000 0.000 -3.023) 3.023 36.018 ( 0.000 0.000 3.023) 3.023 38.752 ( 0.000 0.000 -0.575) 0.575 38.752 ( 0.000 0.000 0.575) 0.575 39.371 ( 0.000 0.000 -4.156) 4.156 39.371 ( 0.000 0.000 4.156) 4.156 39.421 ( 0.000 0.000 -1.699) 1.699 39.421 ( 0.000 0.000 1.699) 1.699 39.657 ( 0.000 0.000 -2.268) 2.268 39.657 ( 0.000 0.000 2.268) 2.268 41.646 ( 0.000 0.000 -1.840) 1.840 41.646 ( 0.000 0.000 1.840) 1.840 43.739 ( 0.000 0.000 -20.426) 20.426 43.739 ( 0.000 0.000 20.426) 20.426 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 19.960 0.000 -10.584) 22.592 1.159 ( 19.960 0.000 10.584) 22.592 1.714 ( 44.974 0.000 -8.890) 45.844 1.714 ( 44.974 0.000 8.890) 45.844 2.454 ( -0.892 0.000 -6.939) 6.996 2.454 ( -0.892 0.000 6.939) 6.996 2.548 ( 2.842 0.000 -14.181) 14.463 2.548 ( 2.842 0.000 14.181) 14.463 2.579 ( -0.541 0.000 -10.958) 10.971 2.579 ( -0.541 0.000 10.958) 10.971 2.679 ( 5.885 0.000 -2.308) 6.321 2.679 ( 5.885 0.000 2.308) 6.321 2.965 ( -0.422 0.000 -11.540) 11.548 2.965 ( -0.422 0.000 11.540) 11.548 3.476 ( -10.427 0.000 -1.141) 10.489 3.476 ( -10.427 0.000 1.141) 10.489 3.704 ( 0.498 0.000 -17.742) 17.749 3.704 ( 0.498 0.000 17.742) 17.749 3.870 ( 1.497 0.000 -13.694) 13.776 3.870 ( 1.497 0.000 13.694) 13.776 4.367 ( 9.644 0.000 -0.436) 9.654 4.367 ( 9.644 0.000 0.436) 9.654 4.831 ( -2.191 0.000 -1.939) 2.925 4.831 ( -2.191 0.000 1.939) 2.925 5.270 ( 5.545 0.000 -1.167) 5.666 5.270 ( 5.545 0.000 1.167) 5.666 5.365 ( 9.648 0.000 -2.842) 10.058 5.365 ( 9.648 0.000 2.842) 10.058 5.817 ( -2.443 0.000 -3.368) 4.161 5.817 ( -2.443 0.000 3.368) 4.161 5.968 ( -5.038 0.000 -2.645) 5.690 5.968 ( -5.038 0.000 2.645) 5.690 6.095 ( -0.459 0.000 -0.951) 1.055 6.095 ( -0.459 0.000 0.951) 1.055 6.460 ( -3.782 0.000 -1.342) 4.013 6.460 ( -3.782 0.000 1.342) 4.013 6.554 ( -2.049 0.000 -3.330) 3.910 6.554 ( -2.049 0.000 3.330) 3.910 6.924 ( -0.461 0.000 -0.040) 0.463 6.924 ( -0.461 0.000 0.040) 0.463 7.102 ( 6.989 0.000 -3.548) 7.838 7.102 ( 6.989 0.000 3.548) 7.838 7.260 ( 1.275 0.000 -4.394) 4.575 7.260 ( 1.275 0.000 4.394) 4.575 7.424 ( 4.894 0.000 -1.077) 5.012 7.424 ( 4.894 0.000 1.077) 5.012 7.694 ( -2.385 0.000 -0.267) 2.400 7.694 ( -2.385 0.000 0.267) 2.400 7.865 ( -1.410 0.000 -4.334) 4.557 7.865 ( -1.410 0.000 4.334) 4.557 8.109 ( -5.944 0.000 -7.728) 9.750 8.109 ( -5.944 0.000 7.728) 9.750 8.228 ( -0.375 0.000 -0.156) 0.406 8.228 ( -0.375 0.000 0.156) 0.406 8.387 ( -1.711 0.000 -3.204) 3.632 8.387 ( -1.711 0.000 3.204) 3.632 8.512 ( -6.880 0.000 -0.485) 6.897 8.512 ( -6.880 0.000 0.485) 6.897 8.866 ( -16.351 0.000 -5.836) 17.361 8.866 ( -16.351 0.000 5.836) 17.361 9.007 ( -1.199 0.000 -2.343) 2.632 9.007 ( -1.199 0.000 2.343) 2.632 9.886 ( 4.466 0.000 -5.906) 7.404 9.886 ( 4.466 0.000 5.906) 7.404 9.965 ( 5.030 0.000 -0.977) 5.124 9.965 ( 5.030 0.000 0.977) 5.124 10.172 ( 12.959 0.000 -5.178) 13.955 10.172 ( 12.959 0.000 5.178) 13.955 10.710 ( -8.255 0.000 -1.392) 8.371 10.710 ( -8.255 0.000 1.392) 8.371 11.194 ( -0.501 0.000 -5.590) 5.612 11.194 ( -0.501 0.000 5.590) 5.612 12.373 ( 2.512 0.000 -1.153) 2.764 12.373 ( 2.512 0.000 1.153) 2.764 12.539 ( 2.240 0.000 -1.568) 2.734 12.539 ( 2.240 0.000 1.568) 2.734 14.124 ( -9.448 0.000 -0.638) 9.469 14.124 ( -9.448 0.000 0.638) 9.469 14.465 ( 5.559 0.000 -0.826) 5.620 14.465 ( 5.559 0.000 0.826) 5.620 15.355 ( -2.230 0.000 -0.105) 2.233 15.355 ( -2.230 0.000 0.105) 2.233 15.937 ( 3.551 0.000 -2.678) 4.448 15.937 ( 3.551 0.000 2.678) 4.448 18.402 ( 7.964 0.000 -2.752) 8.427 18.402 ( 7.964 0.000 2.752) 8.427 18.673 ( 8.579 0.000 -1.413) 8.694 18.673 ( 8.579 0.000 1.413) 8.694 19.327 ( 0.166 0.000 -6.480) 6.482 19.327 ( 0.166 0.000 6.480) 6.482 19.336 ( 0.453 0.000 -6.561) 6.576 19.336 ( 0.453 0.000 6.561) 6.576 20.066 ( -0.352 0.000 -9.289) 9.296 20.066 ( -0.352 0.000 9.289) 9.296 20.166 ( -2.049 0.000 -5.582) 5.946 20.166 ( -2.049 0.000 5.582) 5.946 20.715 ( -4.572 0.000 -0.889) 4.658 20.715 ( -4.572 0.000 0.889) 4.658 20.919 ( -0.367 0.000 -7.184) 7.193 20.919 ( -0.367 0.000 7.184) 7.193 24.259 ( 0.010 0.000 -0.976) 0.976 24.259 ( 0.010 0.000 0.976) 0.976 24.887 ( -9.906 0.000 -7.752) 12.578 24.887 ( -9.906 0.000 7.752) 12.578 25.110 ( 0.472 0.000 -1.245) 1.332 25.110 ( 0.472 0.000 1.245) 1.332 25.348 ( 7.295 0.000 -1.974) 7.557 25.348 ( 7.295 0.000 1.974) 7.557 26.673 ( 0.859 0.000 -1.945) 2.126 26.673 ( 0.859 0.000 1.945) 2.126 27.641 ( -21.000 0.000 -13.674) 25.059 27.641 ( -21.000 0.000 13.674) 25.059 30.140 ( -0.834 0.000 -0.506) 0.976 30.140 ( -0.834 0.000 0.506) 0.976 30.285 ( 0.537 0.000 -0.469) 0.713 30.285 ( 0.537 0.000 0.469) 0.713 35.794 ( 11.615 0.000 -7.116) 13.621 35.794 ( 11.615 0.000 7.116) 13.621 36.242 ( 21.397 0.000 -6.812) 22.455 36.242 ( 21.397 0.000 6.812) 22.455 38.759 ( 0.716 0.000 -0.562) 0.910 38.759 ( 0.716 0.000 0.562) 0.910 39.331 ( -2.216 0.000 -3.676) 4.292 39.331 ( -2.216 0.000 3.676) 4.292 39.480 ( 3.914 0.000 -1.960) 4.377 39.480 ( 3.914 0.000 1.960) 4.377 39.713 ( 5.658 0.000 -5.035) 7.573 39.713 ( 5.658 0.000 5.035) 7.573 41.647 ( 0.131 0.000 -1.890) 1.894 41.647 ( 0.131 0.000 1.890) 1.894 43.691 ( -4.581 0.000 -18.837) 19.386 43.691 ( -4.581 0.000 18.837) 19.386 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 19.906 0.000 -4.679) 20.448 1.571 ( 19.906 0.000 4.679) 20.448 2.247 ( 5.317 0.000 -1.565) 5.543 2.247 ( 5.317 0.000 1.565) 5.543 2.463 ( 1.685 0.000 -3.747) 4.109 2.463 ( 1.685 0.000 3.747) 4.109 2.536 ( -0.576 0.000 -2.230) 2.303 2.536 ( -0.576 0.000 2.230) 2.303 2.745 ( 11.267 0.000 -3.904) 11.924 2.745 ( 11.267 0.000 3.904) 11.924 2.900 ( 17.850 0.000 -0.697) 17.863 2.900 ( 17.850 0.000 0.697) 17.863 2.965 ( 1.131 0.000 -11.532) 11.587 2.965 ( 1.131 0.000 11.532) 11.587 3.269 ( -9.969 0.000 -8.109) 12.851 3.269 ( -9.969 0.000 8.109) 12.851 3.721 ( 1.237 0.000 -14.738) 14.790 3.721 ( 1.237 0.000 14.738) 14.790 3.892 ( 0.794 0.000 -12.601) 12.626 3.892 ( 0.794 0.000 12.601) 12.626 4.587 ( 12.017 0.000 -6.237) 13.539 4.587 ( 12.017 0.000 6.237) 13.539 4.806 ( -0.096 0.000 -6.864) 6.865 4.806 ( -0.096 0.000 6.864) 6.865 5.417 ( 8.230 0.000 -0.700) 8.259 5.417 ( 8.230 0.000 0.700) 8.259 5.578 ( 10.970 0.000 -0.740) 10.995 5.578 ( 10.970 0.000 0.740) 10.995 5.709 ( -6.582 0.000 -5.429) 8.533 5.709 ( -6.582 0.000 5.429) 8.533 5.880 ( -5.373 0.000 -3.942) 6.664 5.880 ( -5.373 0.000 3.942) 6.664 6.118 ( 4.030 0.000 -1.237) 4.215 6.118 ( 4.030 0.000 1.237) 4.215 6.413 ( -0.627 0.000 -1.340) 1.480 6.413 ( -0.627 0.000 1.340) 1.480 6.596 ( 8.824 0.000 -0.872) 8.867 6.596 ( 8.824 0.000 0.872) 8.867 6.861 ( -6.772 0.000 -0.591) 6.797 6.861 ( -6.772 0.000 0.591) 6.797 7.250 ( 4.918 0.000 -2.573) 5.550 7.250 ( 4.918 0.000 2.573) 5.550 7.299 ( 1.397 0.000 -2.217) 2.621 7.299 ( 1.397 0.000 2.217) 2.621 7.381 ( -6.342 0.000 -4.064) 7.532 7.381 ( -6.342 0.000 4.064) 7.532 7.651 ( -1.921 0.000 -1.326) 2.334 7.651 ( -1.921 0.000 1.326) 2.334 7.833 ( -1.982 0.000 -2.875) 3.492 7.833 ( -1.982 0.000 2.875) 3.492 7.984 ( -6.305 0.000 -6.160) 8.815 7.984 ( -6.305 0.000 6.160) 8.815 8.208 ( -3.201 0.000 -2.637) 4.147 8.208 ( -3.201 0.000 2.637) 4.147 8.337 ( -2.862 0.000 -1.725) 3.341 8.337 ( -2.862 0.000 1.725) 3.341 8.430 ( -1.391 0.000 -3.755) 4.004 8.430 ( -1.391 0.000 3.755) 4.004 8.605 ( -7.416 0.000 -3.414) 8.164 8.605 ( -7.416 0.000 3.414) 8.164 9.051 ( 5.876 0.000 -1.975) 6.199 9.051 ( 5.876 0.000 1.975) 6.199 9.886 ( -2.322 0.000 -3.919) 4.555 9.886 ( -2.322 0.000 3.919) 4.555 10.048 ( -0.257 0.000 -4.266) 4.273 10.048 ( -0.257 0.000 4.266) 4.273 10.434 ( 8.193 0.000 -1.327) 8.300 10.434 ( 8.193 0.000 1.327) 8.300 10.508 ( -5.855 0.000 -1.273) 5.992 10.508 ( -5.855 0.000 1.273) 5.992 11.116 ( -7.427 0.000 -5.741) 9.388 11.116 ( -7.427 0.000 5.741) 9.388 12.418 ( 1.740 0.000 -2.058) 2.695 12.418 ( 1.740 0.000 2.058) 2.695 12.556 ( -1.079 0.000 -2.628) 2.841 12.556 ( -1.079 0.000 2.628) 2.841 13.956 ( -6.879 0.000 -0.045) 6.879 13.956 ( -6.879 0.000 0.045) 6.879 14.601 ( 8.010 0.000 -5.137) 9.515 14.601 ( 8.010 0.000 5.137) 9.515 15.351 ( 2.035 0.000 -0.195) 2.044 15.351 ( 2.035 0.000 0.195) 2.044 16.002 ( 2.519 0.000 -0.315) 2.538 16.002 ( 2.519 0.000 0.315) 2.538 18.592 ( 10.214 0.000 -2.916) 10.622 18.592 ( 10.214 0.000 2.916) 10.622 18.837 ( 6.848 0.000 -2.621) 7.333 18.837 ( 6.848 0.000 2.621) 7.333 19.333 ( 0.391 0.000 -6.343) 6.355 19.333 ( 0.391 0.000 6.343) 6.355 19.348 ( 0.691 0.000 -6.428) 6.465 19.348 ( 0.691 0.000 6.428) 6.465 20.057 ( -0.548 0.000 -9.177) 9.194 20.057 ( -0.548 0.000 9.177) 9.194 20.121 ( -2.249 0.000 -7.177) 7.521 20.121 ( -2.249 0.000 7.177) 7.521 20.610 ( -5.511 0.000 -2.588) 6.088 20.610 ( -5.511 0.000 2.588) 6.088 20.904 ( -1.063 0.000 -5.225) 5.332 20.904 ( -1.063 0.000 5.225) 5.332 24.261 ( 0.225 0.000 -1.655) 1.670 24.261 ( 0.225 0.000 1.655) 1.670 24.686 ( -9.582 0.000 -7.587) 12.222 24.686 ( -9.582 0.000 7.587) 12.222 25.133 ( 1.467 0.000 -2.320) 2.745 25.133 ( 1.467 0.000 2.320) 2.745 25.475 ( 5.432 0.000 -1.668) 5.682 25.475 ( 5.432 0.000 1.668) 5.682 26.703 ( 2.387 0.000 -0.917) 2.557 26.703 ( 2.387 0.000 0.917) 2.557 27.225 ( -19.121 0.000 -3.271) 19.398 27.225 ( -19.121 0.000 3.271) 19.398 30.109 ( -2.029 0.000 -0.376) 2.063 30.109 ( -2.029 0.000 0.376) 2.063 30.299 ( 0.713 0.000 -0.430) 0.833 30.299 ( 0.713 0.000 0.430) 0.833 36.020 ( 10.821 0.000 -9.923) 14.683 36.020 ( 10.821 0.000 9.923) 14.683 36.681 ( 19.440 0.000 -11.943) 22.816 36.681 ( 19.440 0.000 11.943) 22.816 38.776 ( 0.904 0.000 -0.534) 1.050 38.776 ( 0.904 0.000 0.534) 1.050 39.298 ( -1.237 0.000 -4.111) 4.293 39.298 ( -1.237 0.000 4.111) 4.293 39.548 ( 2.809 0.000 -0.797) 2.920 39.548 ( 2.809 0.000 0.797) 2.920 39.856 ( 7.892 0.000 -10.937) 13.487 39.856 ( 7.892 0.000 10.937) 13.487 41.651 ( 0.259 0.000 -1.978) 1.995 41.651 ( 0.259 0.000 1.978) 1.995 43.583 ( -5.771 0.000 -15.315) 16.366 43.583 ( -5.771 0.000 15.315) 16.366 ======================= Grid point 111 (40/48) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 9.793 0.000 -0.607) 9.812 1.874 ( 9.793 0.000 0.607) 9.812 2.216 ( -3.737 0.000 -4.026) 5.493 2.216 ( -3.737 0.000 4.026) 5.493 2.475 ( -0.103 0.000 -8.879) 8.880 2.475 ( -0.103 0.000 8.879) 8.880 2.553 ( 1.285 0.000 -0.403) 1.347 2.553 ( 1.285 0.000 0.403) 1.347 2.906 ( 6.197 0.000 -7.833) 9.988 2.906 ( 6.197 0.000 7.833) 9.988 2.981 ( 1.164 0.000 -11.198) 11.258 2.981 ( 1.164 0.000 11.198) 11.258 3.064 ( -6.213 0.000 -13.310) 14.689 3.064 ( -6.213 0.000 13.310) 14.689 3.219 ( 6.324 0.000 -0.833) 6.379 3.219 ( 6.324 0.000 0.833) 6.379 3.744 ( 0.843 0.000 -14.392) 14.417 3.744 ( 0.843 0.000 14.392) 14.417 3.892 ( -0.686 0.000 -16.541) 16.555 3.892 ( -0.686 0.000 16.541) 16.555 4.770 ( 4.200 0.000 -0.863) 4.287 4.770 ( 4.200 0.000 0.863) 4.287 4.831 ( 2.783 0.000 -6.606) 7.168 4.831 ( 2.783 0.000 6.606) 7.168 5.521 ( 1.054 0.000 -7.395) 7.470 5.521 ( 1.054 0.000 7.395) 7.470 5.647 ( 1.405 0.000 -4.507) 4.721 5.647 ( 1.405 0.000 4.507) 4.721 5.729 ( 2.974 0.000 -1.458) 3.313 5.729 ( 2.974 0.000 1.458) 3.313 5.776 ( -3.763 0.000 -5.234) 6.446 5.776 ( -3.763 0.000 5.234) 6.446 6.254 ( 8.864 0.000 -2.434) 9.192 6.254 ( 8.864 0.000 2.434) 9.192 6.438 ( 3.566 0.000 -3.228) 4.810 6.438 ( 3.566 0.000 3.228) 4.810 6.640 ( -14.146 0.000 -2.715) 14.404 6.640 ( -14.146 0.000 2.715) 14.404 6.903 ( 16.223 0.000 -0.723) 16.239 6.903 ( 16.223 0.000 0.723) 16.239 7.130 ( -2.803 0.000 -0.689) 2.887 7.130 ( -2.803 0.000 0.689) 2.887 7.302 ( -7.441 0.000 -3.204) 8.101 7.302 ( -7.441 0.000 3.204) 8.101 7.416 ( 3.991 0.000 -1.121) 4.146 7.416 ( 3.991 0.000 1.121) 4.146 7.653 ( 3.560 0.000 -2.091) 4.128 7.653 ( 3.560 0.000 2.091) 4.128 7.762 ( -4.680 0.000 -1.651) 4.963 7.762 ( -4.680 0.000 1.651) 4.963 7.846 ( -6.891 0.000 -0.086) 6.892 7.846 ( -6.891 0.000 0.086) 6.892 8.165 ( 0.295 0.000 -6.599) 6.606 8.165 ( 0.295 0.000 6.599) 6.606 8.282 ( -2.496 0.000 -3.072) 3.958 8.282 ( -2.496 0.000 3.072) 3.958 8.434 ( 1.510 0.000 -4.187) 4.451 8.434 ( 1.510 0.000 4.187) 4.451 8.518 ( -3.762 0.000 -4.148) 5.600 8.518 ( -3.762 0.000 4.148) 5.600 9.218 ( 8.447 0.000 -5.139) 9.887 9.218 ( 8.447 0.000 5.139) 9.887 9.779 ( -7.671 0.000 -1.068) 7.745 9.779 ( -7.671 0.000 1.068) 7.745 9.993 ( -1.861 0.000 -1.605) 2.457 9.993 ( -1.861 0.000 1.605) 2.457 10.342 ( -2.926 0.000 -0.705) 3.010 10.342 ( -2.926 0.000 0.705) 3.010 10.674 ( 7.066 0.000 -1.714) 7.271 10.674 ( 7.066 0.000 1.714) 7.271 10.958 ( -6.465 0.000 -5.170) 8.278 10.958 ( -6.465 0.000 5.170) 8.278 12.448 ( 1.760 0.000 -1.160) 2.108 12.448 ( 1.760 0.000 1.160) 2.108 12.507 ( -3.064 0.000 -0.474) 3.101 12.507 ( -3.064 0.000 0.474) 3.101 13.867 ( -2.270 0.000 -0.639) 2.358 13.867 ( -2.270 0.000 0.639) 2.358 14.735 ( 4.343 0.000 -8.597) 9.632 14.735 ( 4.343 0.000 8.597) 9.632 15.404 ( 2.217 0.000 -0.553) 2.285 15.404 ( 2.217 0.000 0.553) 2.285 16.030 ( 0.532 0.000 -1.263) 1.370 16.030 ( 0.532 0.000 1.263) 1.370 18.751 ( 4.957 0.000 -1.769) 5.264 18.751 ( 4.957 0.000 1.769) 5.264 18.918 ( 1.588 0.000 -3.599) 3.934 18.918 ( 1.588 0.000 3.599) 3.934 19.340 ( 0.249 0.000 -6.160) 6.165 19.340 ( 0.249 0.000 6.160) 6.165 19.360 ( 0.400 0.000 -6.189) 6.202 19.360 ( 0.400 0.000 6.189) 6.202 20.047 ( -0.329 0.000 -8.958) 8.964 20.047 ( -0.329 0.000 8.958) 8.964 20.089 ( -0.884 0.000 -8.267) 8.314 20.089 ( -0.884 0.000 8.267) 8.314 20.527 ( -2.447 0.000 -4.177) 4.841 20.527 ( -2.447 0.000 4.177) 4.841 20.886 ( -0.612 0.000 -4.066) 4.112 20.886 ( -0.612 0.000 4.066) 4.112 24.268 ( 0.358 0.000 -2.411) 2.437 24.268 ( 0.358 0.000 2.411) 2.437 24.546 ( -4.083 0.000 -6.733) 7.874 24.546 ( -4.083 0.000 6.733) 7.874 25.156 ( 0.652 0.000 -2.620) 2.700 25.156 ( 0.652 0.000 2.620) 2.700 25.551 ( 2.075 0.000 -1.181) 2.387 25.551 ( 2.075 0.000 1.181) 2.387 26.775 ( 5.415 0.000 -0.137) 5.417 26.775 ( 5.415 0.000 0.137) 5.417 26.932 ( -11.103 0.000 -0.284) 11.107 26.932 ( -11.103 0.000 0.284) 11.107 30.076 ( -0.994 0.000 -0.259) 1.028 30.076 ( -0.994 0.000 0.259) 1.028 30.308 ( 0.266 0.000 -0.323) 0.419 30.308 ( 0.266 0.000 0.323) 0.419 36.181 ( 4.707 0.000 -11.429) 12.361 36.181 ( 4.707 0.000 11.429) 12.361 36.932 ( 6.247 0.000 -10.964) 12.619 36.932 ( 6.247 0.000 10.964) 12.619 38.790 ( 0.407 0.000 -0.508) 0.651 38.790 ( 0.407 0.000 0.508) 0.651 39.282 ( -0.385 0.000 -4.476) 4.493 39.282 ( -0.385 0.000 4.476) 4.493 39.586 ( 1.025 0.000 -0.134) 1.033 39.586 ( 1.025 0.000 0.134) 1.033 39.977 ( 3.608 0.000 -14.483) 14.926 39.977 ( 3.608 0.000 14.483) 14.926 41.655 ( 0.153 0.000 -2.022) 2.027 41.655 ( 0.153 0.000 2.022) 2.027 43.495 ( -2.591 0.000 -12.505) 12.770 43.495 ( -2.591 0.000 12.505) 12.770 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 20.839 -11.935) 24.015 1.331 ( 0.000 20.839 11.935) 24.015 1.469 ( 0.000 37.026 -9.178) 38.146 1.469 ( 0.000 37.026 9.178) 38.146 2.438 ( 0.000 -3.290 -5.189) 6.144 2.438 ( 0.000 -3.290 5.189) 6.144 2.439 ( 0.000 -5.993 -10.882) 12.423 2.439 ( 0.000 -5.993 10.882) 12.423 2.648 ( 0.000 2.838 -13.754) 14.044 2.648 ( 0.000 2.838 13.754) 14.044 2.667 ( 0.000 4.038 -7.164) 8.224 2.667 ( 0.000 4.038 7.164) 8.224 2.993 ( 0.000 2.398 -11.699) 11.942 2.993 ( 0.000 2.398 11.699) 11.942 3.475 ( 0.000 -9.618 -11.500) 14.992 3.475 ( 0.000 -9.618 11.500) 14.992 3.738 ( 0.000 1.745 -21.295) 21.367 3.738 ( 0.000 1.745 21.295) 21.367 3.829 ( 0.000 -1.171 -22.839) 22.869 3.829 ( 0.000 -1.171 22.839) 22.869 4.338 ( 0.000 6.899 -4.697) 8.346 4.338 ( 0.000 6.899 4.697) 8.346 4.836 ( 0.000 -2.995 -6.267) 6.946 4.836 ( 0.000 -2.995 6.267) 6.946 5.248 ( 0.000 1.461 -6.647) 6.805 5.248 ( 0.000 1.461 6.647) 6.805 5.285 ( 0.000 4.276 -3.781) 5.708 5.285 ( 0.000 4.276 3.781) 5.708 5.807 ( 0.000 -0.205 -1.909) 1.920 5.807 ( 0.000 -0.205 1.909) 1.920 6.063 ( 0.000 -1.829 -8.072) 8.276 6.063 ( 0.000 -1.829 8.072) 8.276 6.063 ( 0.000 0.970 -9.982) 10.030 6.063 ( 0.000 0.970 9.982) 10.030 6.491 ( 0.000 -1.491 -2.108) 2.582 6.491 ( 0.000 -1.491 2.108) 2.582 6.644 ( 0.000 4.125 -3.027) 5.117 6.644 ( 0.000 4.125 3.027) 5.117 6.933 ( 0.000 0.853 -0.861) 1.212 6.933 ( 0.000 0.853 0.861) 1.212 7.025 ( 0.000 -0.185 -4.130) 4.134 7.025 ( 0.000 -0.185 4.130) 4.134 7.147 ( 0.000 -8.959 -1.799) 9.137 7.147 ( 0.000 -8.959 1.799) 9.137 7.321 ( 0.000 -0.965 -2.551) 2.727 7.321 ( 0.000 -0.965 2.551) 2.727 7.774 ( 0.000 3.937 -4.008) 5.618 7.774 ( 0.000 3.937 4.008) 5.618 7.868 ( 0.000 -1.947 -5.040) 5.403 7.868 ( 0.000 -1.947 5.040) 5.403 8.075 ( 0.000 -19.262 -2.643) 19.442 8.075 ( 0.000 -19.262 2.643) 19.442 8.227 ( 0.000 4.284 -6.666) 7.924 8.227 ( 0.000 4.284 6.666) 7.924 8.321 ( 0.000 -3.178 -0.487) 3.215 8.321 ( 0.000 -3.178 0.487) 3.215 8.524 ( 0.000 -3.641 -3.187) 4.839 8.524 ( 0.000 -3.641 3.187) 4.839 8.809 ( 0.000 -15.275 -5.715) 16.309 8.809 ( 0.000 -15.275 5.715) 16.309 9.119 ( 0.000 3.400 -6.253) 7.118 9.119 ( 0.000 3.400 6.253) 7.118 9.602 ( 0.000 -9.715 -2.314) 9.987 9.602 ( 0.000 -9.715 2.314) 9.987 10.164 ( 0.000 15.658 -6.958) 17.134 10.164 ( 0.000 15.658 6.958) 17.134 10.262 ( 0.000 14.564 -3.789) 15.049 10.262 ( 0.000 14.564 3.789) 15.049 10.866 ( 0.000 6.916 -2.339) 7.300 10.866 ( 0.000 6.916 2.339) 7.300 11.190 ( 0.000 0.321 -3.773) 3.786 11.190 ( 0.000 0.321 3.773) 3.786 12.418 ( 0.000 5.475 -3.942) 6.746 12.418 ( 0.000 5.475 3.942) 6.746 12.508 ( 0.000 -0.199 -1.161) 1.178 12.508 ( 0.000 -0.199 1.161) 1.178 14.250 ( 0.000 0.057 -1.520) 1.521 14.250 ( 0.000 0.057 1.520) 1.521 14.356 ( 0.000 -2.988 -1.346) 3.277 14.356 ( 0.000 -2.988 1.346) 3.277 15.431 ( 0.000 4.123 -0.146) 4.126 15.431 ( 0.000 4.123 0.146) 4.126 15.850 ( 0.000 -4.450 -3.548) 5.691 15.850 ( 0.000 -4.450 3.548) 5.691 18.351 ( 0.000 2.848 -2.157) 3.573 18.351 ( 0.000 2.848 2.157) 3.573 18.556 ( 0.000 -1.760 -0.733) 1.906 18.556 ( 0.000 -1.760 0.733) 1.906 19.326 ( 0.000 0.039 -6.536) 6.537 19.326 ( 0.000 0.039 6.536) 6.537 19.331 ( 0.000 -0.066 -6.590) 6.591 19.331 ( 0.000 -0.066 6.590) 6.591 20.073 ( 0.000 0.434 -9.190) 9.200 20.073 ( 0.000 0.434 9.190) 9.200 20.167 ( 0.000 -1.896 -5.723) 6.029 20.167 ( 0.000 -1.896 5.723) 6.029 20.779 ( 0.000 1.394 -1.543) 2.079 20.779 ( 0.000 1.394 1.543) 2.079 20.906 ( 0.000 -1.428 -7.940) 8.067 20.906 ( 0.000 -1.428 7.940) 8.067 24.303 ( 0.000 4.243 -1.938) 4.664 24.303 ( 0.000 4.243 1.938) 4.664 24.861 ( 0.000 -10.331 -7.813) 12.953 24.861 ( 0.000 -10.331 7.813) 12.953 25.194 ( 0.000 3.085 -4.156) 5.176 25.194 ( 0.000 3.085 4.156) 5.176 25.237 ( 0.000 0.249 -1.327) 1.350 25.237 ( 0.000 0.249 1.327) 1.350 26.712 ( 0.000 4.719 -2.305) 5.252 26.712 ( 0.000 4.719 2.305) 5.252 27.621 ( 0.000 -21.759 -13.378) 25.543 27.621 ( 0.000 -21.759 13.378) 25.543 30.158 ( 0.000 1.314 -0.317) 1.351 30.158 ( 0.000 1.314 0.317) 1.351 30.268 ( 0.000 -1.156 -0.377) 1.216 30.268 ( 0.000 -1.156 0.377) 1.216 35.679 ( 0.000 3.336 -2.208) 4.001 35.679 ( 0.000 3.336 2.208) 4.001 35.987 ( 0.000 -3.170 -2.358) 3.951 35.987 ( 0.000 -3.170 2.358) 3.951 38.851 ( 0.000 8.420 -0.999) 8.479 38.851 ( 0.000 8.420 0.999) 8.479 39.372 ( 0.000 -4.703 -1.165) 4.845 39.372 ( 0.000 -4.703 1.165) 4.845 39.408 ( 0.000 3.243 -3.151) 4.522 39.408 ( 0.000 3.243 3.151) 4.522 39.634 ( 0.000 -2.224 -2.374) 3.252 39.634 ( 0.000 -2.224 2.374) 3.252 42.002 ( 0.000 31.043 -10.621) 32.810 42.002 ( 0.000 31.043 10.621) 32.810 43.631 ( 0.000 -10.751 -21.399) 23.948 43.631 ( 0.000 -10.751 21.399) 23.948 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 11.816 20.232 -9.453) 25.264 1.409 ( 11.816 20.232 9.453) 25.264 1.922 ( 30.743 16.380 -6.911) 35.513 1.922 ( 30.743 16.380 6.911) 35.513 2.405 ( -0.607 -4.507 -1.571) 4.812 2.405 ( -0.607 -4.507 1.571) 4.812 2.492 ( 2.437 -3.671 -10.011) 10.938 2.492 ( 2.437 -3.671 10.011) 10.938 2.647 ( 1.741 4.179 -9.917) 10.902 2.647 ( 1.741 4.179 9.917) 10.902 2.733 ( 6.940 4.539 -3.798) 9.121 2.733 ( 6.940 4.539 3.798) 9.121 2.986 ( -0.444 2.219 -12.043) 12.253 2.986 ( -0.444 2.219 12.043) 12.253 3.395 ( -6.827 -6.997 -5.147) 11.047 3.395 ( -6.827 -6.997 5.147) 11.047 3.729 ( -0.231 2.283 -15.756) 15.922 3.729 ( -0.231 2.283 15.756) 15.922 3.867 ( 2.089 -0.451 -12.961) 13.136 3.867 ( 2.089 -0.451 12.961) 13.136 4.408 ( 7.132 4.077 -4.484) 9.360 4.408 ( 7.132 4.077 4.484) 9.360 4.803 ( -2.441 -3.081 -5.626) 6.863 4.803 ( -2.441 -3.081 5.626) 6.863 5.301 ( 6.177 2.948 -4.593) 8.243 5.301 ( 6.177 2.948 4.593) 8.243 5.403 ( 9.610 3.303 -2.577) 10.484 5.403 ( 9.610 3.303 2.577) 10.484 5.803 ( -1.894 -0.229 -3.414) 3.911 5.803 ( -1.894 -0.229 3.414) 3.911 5.983 ( -4.650 1.174 -4.284) 6.431 5.983 ( -4.650 1.174 4.284) 6.431 6.070 ( -0.979 -1.761 -3.312) 3.876 6.070 ( -0.979 -1.761 3.312) 3.876 6.455 ( -2.655 -1.169 -1.660) 3.342 6.455 ( -2.655 -1.169 1.660) 3.342 6.601 ( -2.572 4.527 -3.047) 6.033 6.601 ( -2.572 4.527 3.047) 6.033 6.929 ( -1.354 0.166 -0.431) 1.431 6.929 ( -1.354 0.166 0.431) 1.431 7.084 ( 4.564 -2.912 -2.990) 6.185 7.084 ( 4.564 -2.912 2.990) 6.185 7.161 ( 2.043 -6.917 -1.858) 7.448 7.161 ( 2.043 -6.917 1.858) 7.448 7.380 ( 3.006 -2.978 -2.878) 5.117 7.380 ( 3.006 -2.978 2.878) 5.117 7.739 ( -2.714 3.714 -3.880) 6.018 7.739 ( -2.714 3.714 3.880) 6.018 7.849 ( -1.341 -3.657 -5.163) 6.468 7.849 ( -1.341 -3.657 5.163) 6.468 8.038 ( -1.798 -9.910 -1.663) 10.208 8.038 ( -1.798 -9.910 1.663) 10.208 8.219 ( -0.407 1.410 -4.881) 5.097 8.219 ( -0.407 1.410 4.881) 5.097 8.339 ( 0.411 -2.097 -1.545) 2.637 8.339 ( 0.411 -2.097 1.545) 2.637 8.481 ( -3.169 -1.948 -3.903) 5.392 8.481 ( -3.169 -1.948 3.903) 5.392 8.720 ( -8.761 -11.340 -3.015) 14.644 8.720 ( -8.761 -11.340 3.015) 14.644 9.087 ( -0.034 7.395 -1.637) 7.574 9.087 ( -0.034 7.395 1.637) 7.574 9.735 ( 8.589 -11.474 -4.720) 15.090 9.735 ( 8.589 -11.474 4.720) 15.090 10.129 ( -2.201 13.342 -3.414) 13.946 10.129 ( -2.201 13.342 3.414) 13.946 10.283 ( 1.974 7.708 -3.938) 8.878 10.283 ( 1.974 7.708 3.938) 8.878 10.772 ( -8.153 5.210 -1.276) 9.759 10.772 ( -8.153 5.210 1.276) 9.759 11.251 ( 2.464 3.304 -2.230) 4.686 11.251 ( 2.464 3.304 2.230) 4.686 12.399 ( -0.731 2.148 -1.865) 2.937 12.399 ( -0.731 2.148 1.865) 2.937 12.521 ( 0.164 -1.427 -1.555) 2.117 12.521 ( 0.164 -1.427 1.555) 2.117 14.139 ( -8.067 1.695 -0.957) 8.298 14.139 ( -8.067 1.695 0.957) 8.298 14.421 ( 4.574 -4.106 -0.654) 6.181 14.421 ( 4.574 -4.106 0.654) 6.181 15.410 ( -1.010 5.242 -0.884) 5.411 15.410 ( -1.010 5.242 0.884) 5.411 15.886 ( 3.111 -4.992 -2.058) 6.232 15.886 ( 3.111 -4.992 2.058) 6.232 18.435 ( 8.078 3.091 -2.310) 8.953 18.435 ( 8.078 3.091 2.310) 8.953 18.654 ( 8.488 -1.908 -1.275) 8.793 18.654 ( 8.488 -1.908 1.275) 8.793 19.328 ( 0.189 0.063 -6.490) 6.493 19.328 ( 0.189 0.063 6.490) 6.493 19.335 ( 0.420 -0.100 -6.555) 6.569 19.335 ( 0.420 -0.100 6.555) 6.569 20.070 ( -0.335 0.435 -9.166) 9.182 20.070 ( -0.335 0.435 9.166) 9.182 20.150 ( -1.642 -1.507 -6.312) 6.694 20.150 ( -1.642 -1.507 6.312) 6.694 20.736 ( -3.987 1.968 -1.762) 4.783 20.736 ( -3.987 1.968 1.762) 4.783 20.901 ( -0.581 -1.707 -6.777) 7.013 20.901 ( -0.581 -1.707 6.777) 7.013 24.299 ( -0.367 3.860 -1.882) 4.310 24.299 ( -0.367 3.860 1.882) 4.310 24.786 ( -7.029 -8.334 -7.869) 13.446 24.786 ( -7.029 -8.334 7.869) 13.446 25.158 ( -0.479 3.486 -1.832) 3.967 25.158 ( -0.479 3.486 1.832) 3.967 25.334 ( 6.102 -1.430 -1.938) 6.560 25.334 ( 6.102 -1.430 1.938) 6.560 26.714 ( 0.271 4.098 -2.014) 4.575 26.714 ( 0.271 4.098 2.014) 4.575 27.448 ( -15.208 -16.277 -8.318) 23.779 27.448 ( -15.208 -16.277 8.318) 23.779 30.152 ( -0.821 1.209 -0.438) 1.526 30.152 ( -0.821 1.209 0.438) 1.526 30.270 ( 0.268 -1.372 -0.369) 1.446 30.270 ( 0.268 -1.372 0.369) 1.446 35.813 ( 11.142 2.247 -5.557) 12.652 35.813 ( 11.142 2.247 5.557) 12.652 36.180 ( 18.457 -5.592 -5.399) 20.027 36.180 ( 18.457 -5.592 5.399) 20.027 38.859 ( 0.819 8.583 -0.964) 8.676 38.859 ( 0.819 8.583 0.964) 8.676 39.356 ( -0.997 0.661 -2.522) 2.792 39.356 ( -0.997 0.661 2.522) 2.792 39.438 ( 2.347 -2.372 -1.958) 3.869 39.438 ( 2.347 -2.372 1.958) 3.869 39.677 ( 4.286 -3.258 -4.093) 6.763 39.677 ( 4.286 -3.258 4.093) 6.763 41.987 ( -1.404 29.594 -9.706) 31.176 41.987 ( -1.404 29.594 9.706) 31.176 43.580 ( -4.799 -10.951 -19.677) 23.025 43.580 ( -4.799 -10.951 19.677) 23.025 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.973 10.944 -4.127) 19.000 1.694 ( 14.973 10.944 4.127) 19.000 2.246 ( 1.656 -0.864 -1.608) 2.465 2.246 ( 1.656 -0.864 1.608) 2.465 2.449 ( 3.837 -0.799 -7.501) 8.463 2.449 ( 3.837 -0.799 7.501) 8.463 2.514 ( 0.524 -1.662 -6.326) 6.562 2.514 ( 0.524 -1.662 6.326) 6.562 2.769 ( 8.542 2.587 -5.332) 10.397 2.769 ( 8.542 2.587 5.332) 10.397 2.967 ( 9.925 3.654 -3.680) 11.198 2.967 ( 9.925 3.654 3.680) 11.198 3.002 ( 8.031 3.995 -9.717) 13.224 3.002 ( 8.031 3.995 9.717) 13.224 3.255 ( -6.744 -1.918 -5.861) 9.139 3.255 ( -6.744 -1.918 5.861) 9.139 3.730 ( 0.313 1.728 -13.704) 13.816 3.730 ( 0.313 1.728 13.704) 13.816 3.887 ( 0.126 -0.284 -9.975) 9.980 3.887 ( 0.126 -0.284 9.975) 9.980 4.590 ( 10.201 0.285 -11.923) 15.694 4.590 ( 10.201 0.285 11.923) 15.694 4.775 ( -0.043 -2.937 -5.693) 6.406 4.775 ( -0.043 -2.937 5.693) 6.406 5.458 ( 8.633 3.789 -4.381) 10.396 5.458 ( 8.633 3.789 4.381) 10.396 5.601 ( 9.296 1.748 -1.312) 9.549 5.601 ( 9.296 1.748 1.312) 9.549 5.709 ( -6.019 0.539 -6.870) 9.150 5.709 ( -6.019 0.539 6.870) 9.150 5.889 ( -5.169 0.284 -6.268) 8.130 5.889 ( -5.169 0.284 6.268) 8.130 6.077 ( 1.994 -2.500 -1.019) 3.356 6.077 ( 1.994 -2.500 1.019) 3.356 6.420 ( -1.536 -1.727 -1.607) 2.815 6.420 ( -1.536 -1.727 1.607) 2.815 6.619 ( 4.795 1.152 -2.131) 5.372 6.619 ( 4.795 1.152 2.131) 5.372 6.839 ( -7.551 -1.680 -0.728) 7.770 6.839 ( -7.551 -1.680 0.728) 7.770 7.105 ( -1.469 -6.758 -1.117) 7.006 7.105 ( -1.469 -6.758 1.117) 7.006 7.271 ( 7.560 -2.064 -1.178) 7.925 7.271 ( 7.560 -2.064 1.178) 7.925 7.400 ( 2.805 1.285 -1.817) 3.580 7.400 ( 2.805 1.285 1.817) 3.580 7.696 ( -1.902 3.911 -4.332) 6.138 7.696 ( -1.902 3.911 4.332) 6.138 7.849 ( -0.714 0.081 -4.064) 4.127 7.849 ( -0.714 0.081 4.064) 4.127 8.005 ( -1.913 -1.253 -1.591) 2.786 8.005 ( -1.913 -1.253 1.591) 2.786 8.206 ( -1.856 0.966 -3.848) 4.380 8.206 ( -1.856 0.966 3.848) 4.380 8.325 ( -1.096 -1.002 -0.802) 1.688 8.325 ( -1.096 -1.002 0.802) 1.688 8.442 ( -0.601 -0.156 -4.595) 4.637 8.442 ( -0.601 -0.156 4.595) 4.637 8.566 ( -4.761 -3.420 -1.575) 6.070 8.566 ( -4.761 -3.420 1.575) 6.070 9.128 ( 3.890 7.245 -1.690) 8.396 9.128 ( 3.890 7.245 1.690) 8.396 9.802 ( -2.806 -9.634 -4.752) 11.103 9.802 ( -2.806 -9.634 4.752) 11.103 10.094 ( -1.626 7.060 -0.553) 7.266 10.094 ( -1.626 7.060 0.553) 7.266 10.347 ( 3.114 -1.937 -1.305) 3.892 10.347 ( 3.114 -1.937 1.305) 3.892 10.607 ( -5.825 4.715 -1.766) 7.700 10.607 ( -5.825 4.715 1.766) 7.700 11.185 ( -9.372 3.000 -4.139) 10.675 11.185 ( -9.372 3.000 4.139) 10.675 12.403 ( 0.696 -1.522 -1.746) 2.419 12.403 ( 0.696 -1.522 1.746) 2.419 12.506 ( -1.034 -3.279 -0.679) 3.504 12.506 ( -1.034 -3.279 0.679) 3.504 13.998 ( -5.708 4.172 -0.662) 7.101 13.998 ( -5.708 4.172 0.662) 7.101 14.515 ( 4.727 -7.559 -3.873) 9.721 14.515 ( 4.727 -7.559 3.873) 9.721 15.436 ( 3.879 7.423 -3.517) 9.084 15.436 ( 3.879 7.423 3.517) 9.084 15.945 ( 2.549 -5.288 -2.139) 6.247 15.945 ( 2.549 -5.288 2.139) 6.247 18.622 ( 9.712 2.734 -2.213) 10.329 18.622 ( 9.712 2.734 2.213) 10.329 18.817 ( 6.950 -1.866 -2.094) 7.495 18.817 ( 6.950 -1.866 2.094) 7.495 19.334 ( 0.412 0.107 -6.351) 6.365 19.334 ( 0.412 0.107 6.351) 6.365 19.346 ( 0.643 -0.173 -6.426) 6.460 19.346 ( 0.643 -0.173 6.426) 6.460 20.061 ( -0.497 0.455 -9.084) 9.109 20.061 ( -0.497 0.455 9.084) 9.109 20.113 ( -1.867 -0.782 -7.472) 7.742 20.113 ( -1.867 -0.782 7.472) 7.742 20.645 ( -4.741 3.244 -3.047) 6.503 20.645 ( -4.741 3.244 3.047) 6.503 20.883 ( -1.139 -2.058 -5.192) 5.700 20.883 ( -1.139 -2.058 5.192) 5.700 24.291 ( -0.327 2.911 -1.895) 3.489 24.291 ( -0.327 2.911 1.895) 3.489 24.630 ( -7.935 -5.080 -7.099) 11.797 24.630 ( -7.935 -5.080 7.099) 11.797 25.172 ( 1.353 3.427 -2.368) 4.380 25.172 ( 1.353 3.427 2.368) 4.380 25.443 ( 4.820 -3.006 -1.926) 5.999 25.443 ( 4.820 -3.006 1.926) 5.999 26.729 ( 1.485 2.599 -1.335) 3.277 26.729 ( 1.485 2.599 1.335) 3.277 27.137 ( -14.794 -7.760 -2.026) 16.829 27.137 ( -14.794 -7.760 2.026) 16.829 30.125 ( -1.745 1.545 -0.516) 2.387 30.125 ( -1.745 1.545 0.516) 2.387 30.278 ( 0.438 -1.904 -0.433) 2.001 30.278 ( 0.438 -1.904 0.433) 2.001 36.042 ( 11.247 2.631 -8.909) 14.588 36.042 ( 11.247 2.631 8.909) 14.588 36.573 ( 18.257 -9.486 -10.237) 22.980 36.573 ( 18.257 -9.486 10.237) 22.980 38.879 ( 1.028 8.950 -0.897) 9.054 38.879 ( 1.028 8.950 0.897) 9.054 39.340 ( -0.663 3.632 -3.884) 5.358 39.340 ( -0.663 3.632 3.884) 5.358 39.485 ( 2.196 -5.466 -1.048) 5.983 39.485 ( 2.196 -5.466 1.048) 5.983 39.782 ( 5.773 -6.129 -7.692) 11.404 39.782 ( 5.773 -6.129 7.692) 11.404 41.956 ( -1.545 26.494 -7.954) 27.706 41.956 ( -1.545 26.494 7.954) 27.706 43.467 ( -5.988 -11.325 -15.915) 20.431 43.467 ( -5.988 -11.325 15.915) 20.431 ======================= Grid point 125 (44/48) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 7.733 5.070 -1.275) 9.335 1.929 ( 7.733 5.070 1.275) 9.335 2.208 ( -2.966 -0.991 -4.129) 5.179 2.208 ( -2.966 -0.991 4.129) 5.180 2.476 ( -0.011 0.255 -8.145) 8.149 2.476 ( -0.011 0.255 8.145) 8.149 2.543 ( 1.532 -0.870 -1.463) 2.290 2.543 ( 1.532 -0.870 1.463) 2.290 2.886 ( 3.075 0.161 -6.872) 7.531 2.886 ( 3.076 0.161 6.872) 7.531 3.022 ( 1.812 1.667 -10.162) 10.456 3.022 ( 1.812 1.667 10.162) 10.456 3.135 ( -3.020 5.128 -4.302) 7.344 3.135 ( -3.020 5.128 4.302) 7.344 3.243 ( 6.011 1.896 -0.616) 6.333 3.243 ( 6.011 1.896 0.616) 6.333 3.741 ( 0.532 0.465 -15.054) 15.071 3.741 ( 0.532 0.465 15.054) 15.071 3.878 ( -0.715 -0.945 -18.292) 18.330 3.878 ( -0.715 -0.945 18.292) 18.330 4.735 ( 3.154 -2.881 -4.613) 6.287 4.735 ( 3.154 -2.881 4.613) 6.287 4.804 ( 2.547 -2.522 -4.231) 5.545 4.804 ( 2.547 -2.522 4.231) 5.545 5.566 ( 0.853 3.331 -5.045) 6.105 5.566 ( 0.853 3.331 5.045) 6.105 5.628 ( -0.874 -1.364 -2.548) 3.019 5.628 ( -0.874 -1.364 2.548) 3.019 5.736 ( 3.929 1.592 -0.626) 4.285 5.736 ( 3.929 1.592 0.626) 4.285 5.823 ( -1.123 2.909 -3.780) 4.900 5.823 ( -1.123 2.909 3.780) 4.900 6.153 ( 6.216 -6.730 -1.723) 9.322 6.153 ( 6.216 -6.730 1.723) 9.322 6.370 ( -4.906 -10.642 -2.723) 12.030 6.370 ( -4.906 -10.642 2.723) 12.030 6.552 ( -7.645 -2.522 -5.406) 9.697 6.552 ( -7.645 -2.522 5.406) 9.697 6.796 ( 0.390 -6.014 -5.755) 8.333 6.796 ( 0.390 -6.014 5.755) 8.333 7.179 ( 8.071 5.175 -1.356) 9.683 7.179 ( 8.071 5.175 1.356) 9.683 7.377 ( 2.249 -2.067 -3.013) 4.290 7.377 ( 2.249 -2.067 3.013) 4.290 7.536 ( 8.625 12.256 -2.191) 15.146 7.536 ( 8.625 12.256 2.191) 15.146 7.679 ( 1.037 2.543 -2.685) 3.841 7.679 ( 1.037 2.543 2.685) 3.841 7.786 ( -3.694 1.757 -3.474) 5.367 7.786 ( -3.694 1.757 3.474) 5.367 7.921 ( -7.226 6.570 -1.537) 9.887 7.921 ( -7.226 6.570 1.537) 9.887 8.193 ( 1.821 2.723 -6.258) 7.063 8.193 ( 1.821 2.723 6.258) 7.063 8.293 ( -2.367 0.661 -1.832) 3.065 8.293 ( -2.367 0.661 1.832) 3.065 8.435 ( -0.056 -0.038 -4.727) 4.728 8.435 ( -0.056 -0.038 4.727) 4.728 8.518 ( -2.088 0.210 -3.330) 3.936 8.518 ( -2.088 0.210 3.330) 3.936 9.223 ( 4.429 0.749 -4.834) 6.599 9.223 ( 4.429 0.749 4.834) 6.599 9.673 ( -6.853 -8.921 -2.584) 11.543 9.673 ( -6.853 -8.921 2.584) 11.543 10.068 ( -0.606 6.504 -1.876) 6.797 10.068 ( -0.606 6.504 1.876) 6.797 10.347 ( -1.183 0.497 -2.047) 2.416 10.347 ( -1.183 0.497 2.047) 2.416 10.623 ( 4.408 -3.447 -4.362) 7.095 10.623 ( 4.408 -3.447 4.362) 7.095 10.963 ( -9.942 -1.488 -4.774) 11.128 10.963 ( -9.942 -1.488 4.774) 11.128 12.417 ( 0.753 -2.692 -1.439) 3.144 12.417 ( 0.753 -2.692 1.439) 3.144 12.490 ( -0.784 -1.249 -2.018) 2.500 12.490 ( -0.784 -1.249 2.018) 2.500 13.924 ( -1.880 5.561 -1.135) 5.979 13.924 ( -1.880 5.561 1.135) 5.979 14.588 ( 2.193 -11.839 -6.189) 13.538 14.588 ( 2.193 -11.839 6.189) 13.538 15.521 ( 3.208 8.890 -5.838) 11.109 15.521 ( 3.208 8.890 5.838) 11.109 15.977 ( 0.687 -4.835 -3.774) 6.172 15.977 ( 0.687 -4.835 3.774) 6.172 18.769 ( 4.453 1.658 -0.864) 4.829 18.769 ( 4.453 1.658 0.864) 4.830 18.902 ( 1.772 -1.507 -3.273) 4.016 18.902 ( 1.772 -1.507 3.273) 4.016 19.342 ( 0.256 0.129 -6.200) 6.207 19.342 ( 0.256 0.129 6.200) 6.207 19.357 ( 0.363 -0.254 -6.270) 6.285 19.357 ( 0.363 -0.254 6.270) 6.285 20.053 ( -0.275 0.518 -8.941) 8.960 20.053 ( -0.275 0.518 8.941) 8.960 20.086 ( -0.754 -0.329 -8.333) 8.373 20.086 ( -0.754 -0.329 8.333) 8.373 20.574 ( -2.072 4.344 -4.595) 6.654 20.574 ( -2.072 4.344 4.595) 6.654 20.864 ( -0.591 -2.137 -4.612) 5.117 20.864 ( -0.591 -2.137 4.612) 5.117 24.289 ( 0.053 2.008 -2.251) 3.017 24.289 ( 0.053 2.008 2.251) 3.017 24.511 ( -3.502 -3.178 -5.993) 7.634 24.511 ( -3.502 -3.178 5.993) 7.634 25.194 ( 0.705 3.578 -2.746) 4.564 25.194 ( 0.705 3.578 2.746) 4.564 25.511 ( 1.875 -3.724 -1.790) 4.538 25.511 ( 1.875 -3.724 1.790) 4.538 26.781 ( 4.181 0.615 -1.042) 4.353 26.781 ( 4.181 0.615 1.042) 4.353 26.905 ( -8.878 -2.360 -1.132) 9.256 26.905 ( -8.878 -2.360 1.132) 9.256 30.097 ( -0.856 1.958 -0.633) 2.228 30.097 ( -0.856 1.958 0.633) 2.228 30.284 ( 0.163 -2.276 -0.559) 2.349 30.284 ( 0.163 -2.276 0.559) 2.349 36.209 ( 4.876 3.240 -10.609) 12.117 36.209 ( 4.876 3.240 10.609) 12.117 36.818 ( 6.368 -10.267 -10.345) 15.905 36.818 ( 6.368 -10.267 10.345) 15.905 38.894 ( 0.459 9.242 -0.854) 9.292 38.894 ( 0.459 9.242 0.854) 9.292 39.331 ( -0.225 4.727 -4.570) 6.579 39.331 ( -0.225 4.727 4.570) 6.579 39.516 ( 0.875 -6.483 -0.542) 6.564 39.516 ( 0.875 -6.483 0.542) 6.564 39.872 ( 2.680 -8.630 -10.068) 13.529 39.872 ( 2.680 -8.630 10.068) 13.529 41.934 ( -0.617 24.145 -6.859) 25.108 41.934 ( -0.617 24.145 6.859) 25.108 43.377 ( -2.668 -11.548 -12.991) 17.585 43.377 ( -2.668 -11.548 12.991) 17.585 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 23.001 -7.359) 24.150 1.806 ( 0.000 23.001 7.359) 24.150 2.056 ( 0.000 15.084 -5.472) 16.046 2.056 ( 0.000 15.084 5.472) 16.046 2.247 ( 0.000 -10.579 -8.505) 13.574 2.247 ( 0.000 -10.579 8.505) 13.574 2.342 ( 0.000 -6.647 -5.350) 8.532 2.342 ( 0.000 -6.647 5.350) 8.532 2.712 ( 0.000 2.964 -13.307) 13.634 2.712 ( 0.000 2.964 13.307) 13.634 2.734 ( 0.000 1.431 -7.732) 7.863 2.734 ( 0.000 1.431 7.732) 7.863 3.084 ( 0.000 6.959 -15.529) 17.017 3.084 ( 0.000 6.959 15.529) 17.017 3.267 ( 0.000 -10.193 -16.036) 19.001 3.267 ( 0.000 -10.193 16.036) 19.001 3.768 ( 0.000 1.446 -22.364) 22.411 3.768 ( 0.000 1.446 22.364) 22.411 3.799 ( 0.000 -1.584 -23.070) 23.124 3.799 ( 0.000 -1.584 23.070) 23.124 4.520 ( 0.000 10.368 -8.123) 13.171 4.520 ( 0.000 10.368 8.123) 13.171 4.721 ( 0.000 -8.286 -10.029) 13.009 4.721 ( 0.000 -8.286 10.029) 13.009 5.302 ( 0.000 3.364 -6.514) 7.331 5.302 ( 0.000 3.364 6.514) 7.331 5.348 ( 0.000 0.096 -2.284) 2.286 5.348 ( 0.000 0.096 2.284) 2.286 5.897 ( 0.000 7.801 -3.187) 8.427 5.897 ( 0.000 7.801 3.187) 8.427 6.008 ( 0.000 -3.526 -9.655) 10.278 6.008 ( 0.000 -3.526 9.655) 10.278 6.141 ( 0.000 9.100 -6.415) 11.133 6.141 ( 0.000 9.100 6.415) 11.133 6.397 ( 0.000 -9.949 -0.971) 9.996 6.397 ( 0.000 -9.949 0.971) 9.996 6.748 ( 0.000 6.225 -2.671) 6.774 6.748 ( 0.000 6.225 2.671) 6.774 6.898 ( 0.000 -6.893 -1.117) 6.983 6.898 ( 0.000 -6.893 1.117) 6.983 6.999 ( 0.000 -1.702 -3.271) 3.688 6.999 ( 0.000 -1.702 3.271) 3.688 7.011 ( 0.000 -1.200 -4.143) 4.313 7.011 ( 0.000 -1.200 4.143) 4.313 7.325 ( 0.000 2.570 -4.316) 5.023 7.325 ( 0.000 2.570 4.316) 5.023 7.530 ( 0.000 -19.775 -2.921) 19.990 7.530 ( 0.000 -19.775 2.921) 19.990 7.855 ( 0.000 3.519 -5.868) 6.842 7.855 ( 0.000 3.519 5.868) 6.842 7.905 ( 0.000 -1.473 -4.940) 5.155 7.905 ( 0.000 -1.473 4.940) 5.155 8.304 ( 0.000 2.319 -4.513) 5.074 8.304 ( 0.000 2.319 4.513) 5.074 8.307 ( 0.000 0.824 -1.997) 2.161 8.307 ( 0.000 0.824 1.997) 2.161 8.482 ( 0.000 -0.624 -4.508) 4.551 8.482 ( 0.000 -0.624 4.508) 4.551 8.548 ( 0.000 -8.480 -1.397) 8.595 8.548 ( 0.000 -8.480 1.397) 8.595 9.235 ( 0.000 7.495 -2.269) 7.831 9.235 ( 0.000 7.495 2.269) 7.831 9.409 ( 0.000 -9.205 -0.814) 9.240 9.409 ( 0.000 -9.205 0.814) 9.240 10.421 ( 0.000 8.056 -6.112) 10.112 10.421 ( 0.000 8.056 6.112) 10.112 10.465 ( 0.000 4.083 -2.380) 4.726 10.465 ( 0.000 4.083 2.380) 4.726 11.038 ( 0.000 8.657 -3.853) 9.476 11.038 ( 0.000 8.657 3.853) 9.476 11.168 ( 0.000 -3.387 -3.446) 4.832 11.168 ( 0.000 -3.387 3.446) 4.832 12.496 ( 0.000 1.601 -5.760) 5.978 12.496 ( 0.000 1.601 5.760) 5.978 12.504 ( 0.000 -0.020 -3.315) 3.315 12.504 ( 0.000 -0.020 3.315) 3.315 14.260 ( 0.000 1.076 -2.668) 2.877 14.260 ( 0.000 1.076 2.668) 2.877 14.296 ( 0.000 -2.472 -2.383) 3.433 14.296 ( 0.000 -2.472 2.383) 3.433 15.555 ( 0.000 7.672 -0.778) 7.711 15.555 ( 0.000 7.672 0.778) 7.711 15.721 ( 0.000 -7.810 -2.074) 8.081 15.721 ( 0.000 -7.810 2.074) 8.081 18.425 ( 0.000 4.044 -1.823) 4.436 18.425 ( 0.000 4.044 1.823) 4.436 18.503 ( 0.000 -3.367 -1.265) 3.597 18.503 ( 0.000 -3.367 1.265) 3.597 19.328 ( 0.000 0.073 -6.569) 6.569 19.328 ( 0.000 0.073 6.569) 6.569 19.329 ( 0.000 -0.092 -6.589) 6.590 19.329 ( 0.000 -0.092 6.589) 6.590 20.089 ( 0.000 1.199 -8.682) 8.765 20.089 ( 0.000 1.199 8.682) 8.765 20.123 ( 0.000 -2.080 -7.502) 7.786 20.123 ( 0.000 -2.080 7.502) 7.786 20.818 ( 0.000 2.295 -3.799) 4.439 20.818 ( 0.000 2.295 3.799) 4.439 20.866 ( 0.000 -2.312 -6.245) 6.659 20.866 ( 0.000 -2.312 6.245) 6.659 24.432 ( 0.000 8.309 -4.617) 9.506 24.432 ( 0.000 8.309 4.617) 9.506 24.634 ( 0.000 -11.133 -7.299) 13.312 24.634 ( 0.000 -11.133 7.299) 13.312 25.234 ( 0.000 0.954 -2.738) 2.899 25.234 ( 0.000 0.954 2.738) 2.899 25.241 ( 0.000 0.095 -2.040) 2.042 25.241 ( 0.000 0.095 2.040) 2.042 26.868 ( 0.000 10.911 -1.553) 11.021 26.868 ( 0.000 10.911 1.553) 11.021 27.174 ( 0.000 -19.309 -2.716) 19.499 27.174 ( 0.000 -19.309 2.716) 19.499 30.193 ( 0.000 2.048 -0.337) 2.076 30.193 ( 0.000 2.048 0.337) 2.076 30.236 ( 0.000 -1.953 -0.349) 1.984 30.236 ( 0.000 -1.953 0.349) 1.984 35.773 ( 0.000 5.597 -2.184) 6.008 35.773 ( 0.000 5.597 2.184) 6.008 35.892 ( 0.000 -5.693 -2.107) 6.071 35.892 ( 0.000 -5.693 2.107) 6.071 39.046 ( 0.000 9.954 -1.281) 10.036 39.046 ( 0.000 9.954 1.281) 10.036 39.236 ( 0.000 -8.288 -0.391) 8.297 39.236 ( 0.000 -8.288 0.391) 8.297 39.487 ( 0.000 4.211 -2.616) 4.957 39.487 ( 0.000 4.211 2.616) 4.957 39.571 ( 0.000 -3.773 -2.558) 4.559 39.571 ( 0.000 -3.773 2.558) 4.559 42.707 ( 0.000 33.819 -21.263) 39.949 42.707 ( 0.000 33.820 21.263) 39.949 43.291 ( 0.000 -22.693 -23.131) 32.404 43.291 ( 0.000 -22.693 23.131) 32.404 ======================= Grid point 135 (46/48) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 4.234 20.342 -6.624) 21.808 1.845 ( 4.234 20.342 6.624) 21.808 2.147 ( 3.488 -3.353 -3.118) 5.757 2.147 ( 3.488 -3.353 3.118) 5.757 2.307 ( 8.196 1.097 -8.830) 12.097 2.307 ( 8.196 1.097 8.830) 12.097 2.407 ( 4.905 -4.723 -8.287) 10.725 2.407 ( 4.905 -4.723 8.287) 10.725 2.738 ( 3.743 4.721 -7.010) 9.243 2.738 ( 3.743 4.721 7.010) 9.243 2.800 ( 7.101 0.122 -3.599) 7.962 2.800 ( 7.101 0.122 3.599) 7.962 3.068 ( -1.087 6.260 -14.438) 15.774 3.068 ( -1.087 6.260 14.438) 15.774 3.228 ( -3.172 -8.666 -12.949) 15.901 3.228 ( -3.172 -8.666 12.949) 15.901 3.789 ( 1.691 3.228 -12.066) 12.604 3.789 ( 1.691 3.228 12.066) 12.604 3.844 ( 3.067 -1.940 -11.367) 11.933 3.844 ( 3.067 -1.940 11.367) 11.933 4.533 ( 2.087 7.914 -1.666) 8.352 4.533 ( 2.087 7.914 1.666) 8.352 4.697 ( -1.508 -7.161 -6.431) 9.742 4.697 ( -1.508 -7.161 6.431) 9.742 5.380 ( 7.501 4.261 -5.027) 9.984 5.380 ( 7.501 4.261 5.027) 9.984 5.442 ( 8.370 -0.828 -1.958) 8.635 5.442 ( 8.370 -0.828 1.958) 8.635 5.861 ( -3.929 5.404 -5.962) 8.955 5.861 ( -3.929 5.404 5.962) 8.955 5.960 ( -4.544 -3.771 -9.655) 11.318 5.960 ( -4.544 -3.771 9.655) 11.318 6.127 ( -1.280 9.229 -4.712) 10.441 6.127 ( -1.280 9.229 4.712) 10.441 6.359 ( -3.582 -9.467 -1.158) 10.188 6.359 ( -3.582 -9.467 1.158) 10.188 6.729 ( -1.831 7.519 -2.674) 8.187 6.729 ( -1.831 7.519 2.674) 8.187 6.878 ( -3.166 -6.336 -1.612) 7.264 6.878 ( -3.166 -6.336 1.612) 7.264 7.013 ( 2.701 0.859 -0.975) 2.998 7.013 ( 2.701 0.859 0.975) 2.998 7.078 ( 5.739 -3.552 -0.831) 6.800 7.078 ( 5.739 -3.552 0.831) 6.800 7.362 ( 3.562 3.058 -3.619) 5.927 7.362 ( 3.562 3.058 3.619) 5.927 7.571 ( 6.598 -17.080 -2.118) 18.433 7.571 ( 6.598 -17.080 2.118) 18.433 7.834 ( -1.946 4.511 -5.801) 7.602 7.834 ( -1.946 4.511 5.801) 7.602 7.913 ( -0.154 -3.186 -5.248) 6.141 7.913 ( -0.154 -3.186 5.248) 6.141 8.264 ( -1.883 2.502 -4.824) 5.751 8.264 ( -1.883 2.502 4.824) 5.751 8.312 ( -1.118 -1.673 -3.959) 4.441 8.312 ( -1.118 -1.673 3.959) 4.441 8.461 ( -1.497 0.705 -4.103) 4.424 8.461 ( -1.497 0.705 4.103) 4.424 8.529 ( -1.976 -6.298 -2.060) 6.915 8.529 ( -1.976 -6.298 2.060) 6.915 9.272 ( 3.350 10.277 -0.142) 10.811 9.272 ( 3.350 10.277 0.142) 10.811 9.496 ( 6.579 -11.547 -2.543) 13.531 9.496 ( 6.579 -11.547 2.543) 13.531 10.351 ( -5.033 7.197 -4.414) 9.829 10.351 ( -5.033 7.197 4.414) 9.829 10.410 ( -4.852 2.255 -2.803) 6.040 10.410 ( -4.852 2.255 2.803) 6.040 10.951 ( -7.186 13.043 -0.847) 14.916 10.951 ( -7.186 13.043 0.847) 14.916 11.209 ( -0.017 -8.799 -0.448) 8.811 11.209 ( -0.017 -8.799 0.448) 8.811 12.449 ( -3.378 2.566 -2.864) 5.118 12.449 ( -3.378 2.566 2.864) 5.118 12.492 ( -2.005 -1.541 -3.099) 4.000 12.492 ( -2.005 -1.541 3.099) 4.000 14.202 ( -4.250 4.509 -1.501) 6.376 14.202 ( -4.250 4.509 1.501) 6.376 14.313 ( 0.904 -5.942 -1.162) 6.121 14.313 ( 0.904 -5.942 1.162) 6.121 15.558 ( 1.007 8.813 -1.089) 8.937 15.558 ( 1.007 8.813 1.089) 8.937 15.743 ( 2.240 -8.590 -0.956) 8.928 15.743 ( 2.240 -8.590 0.956) 8.928 18.514 ( 8.238 4.291 -1.519) 9.412 18.514 ( 8.238 4.291 1.519) 9.412 18.597 ( 8.343 -3.566 -1.153) 9.146 18.597 ( 8.343 -3.566 1.153) 9.146 19.330 ( 0.251 0.116 -6.514) 6.520 19.330 ( 0.251 0.116 6.514) 6.520 19.333 ( 0.338 -0.142 -6.539) 6.549 19.333 ( 0.338 -0.142 6.539) 6.549 20.085 ( -0.432 1.073 -8.695) 8.771 20.085 ( -0.432 1.073 8.695) 8.771 20.114 ( -0.891 -1.728 -7.692) 7.934 20.114 ( -0.891 -1.728 7.692) 7.934 20.789 ( -2.632 3.078 -3.614) 5.428 20.789 ( -2.632 3.078 3.614) 5.428 20.853 ( -1.330 -2.911 -5.515) 6.377 20.853 ( -1.330 -2.911 5.515) 6.377 24.415 ( -1.582 7.448 -4.270) 8.730 24.415 ( -1.582 7.448 4.270) 8.730 24.594 ( -3.823 -9.681 -6.824) 12.446 24.594 ( -3.823 -9.681 6.824) 12.446 25.229 ( 0.807 3.353 -1.817) 3.898 25.229 ( 0.807 3.353 1.817) 3.898 25.291 ( 3.447 -2.668 -1.903) 4.756 25.291 ( 3.447 -2.668 1.903) 4.756 26.847 ( -1.803 9.276 -1.672) 9.596 26.847 ( -1.803 9.276 1.672) 9.596 27.101 ( -6.612 -15.585 -1.675) 17.012 27.101 ( -6.612 -15.585 1.675) 17.012 30.187 ( -0.656 2.123 -0.409) 2.259 30.187 ( -0.656 2.123 0.409) 2.259 30.233 ( -0.244 -2.162 -0.377) 2.208 30.233 ( -0.244 -2.162 0.377) 2.208 35.897 ( 11.295 5.886 -3.885) 13.316 35.897 ( 11.295 5.886 3.885) 13.316 36.039 ( 13.874 -7.559 -3.866) 16.265 36.039 ( 13.874 -7.559 3.866) 16.265 39.060 ( 1.312 10.239 -1.347) 10.410 39.060 ( 1.312 10.239 1.347) 10.410 39.255 ( 1.798 -8.413 -0.443) 8.615 39.255 ( 1.798 -8.413 0.443) 8.615 39.486 ( -0.100 4.900 -3.105) 5.802 39.486 ( -0.100 4.900 3.105) 5.802 39.591 ( 1.927 -4.974 -3.259) 6.251 39.591 ( 1.927 -4.974 3.259) 6.251 42.663 ( -4.087 32.814 -19.125) 38.199 42.663 ( -4.087 32.814 19.125) 38.199 43.238 ( -5.039 -22.658 -21.052) 31.336 43.238 ( -5.039 -22.658 21.052) 31.336 ======================= Grid point 137 (47/48) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.221 12.887 -2.610) 14.546 1.954 ( 6.221 12.887 2.610) 14.546 2.169 ( 0.138 -7.341 -1.365) 7.468 2.169 ( 0.138 -7.341 1.365) 7.468 2.450 ( 4.501 0.940 -10.705) 11.651 2.450 ( 4.501 0.940 10.705) 11.651 2.479 ( 2.325 -1.690 -9.365) 9.796 2.479 ( 2.325 -1.690 9.365) 9.796 2.861 ( 6.746 6.229 -5.988) 10.962 2.861 ( 6.746 6.229 5.988) 10.962 2.976 ( 6.264 -3.253 -2.327) 7.432 2.976 ( 6.264 -3.253 2.327) 7.432 3.094 ( 6.650 4.194 -10.373) 13.016 3.094 ( 6.650 4.194 10.373) 13.016 3.181 ( -0.492 -4.525 -9.904) 10.899 3.181 ( -0.492 -4.525 9.904) 10.899 3.806 ( -0.268 4.739 -10.191) 11.242 3.806 ( -0.268 4.739 10.191) 11.242 3.875 ( -0.116 -1.583 -9.039) 9.177 3.875 ( -0.116 -1.583 9.039) 9.177 4.612 ( 5.271 2.489 -9.622) 11.250 4.612 ( 5.271 2.489 9.622) 11.250 4.693 ( 1.347 -4.693 -0.787) 4.945 4.693 ( 1.347 -4.693 0.787) 4.945 5.549 ( 7.967 4.312 -4.411) 10.076 5.549 ( 7.967 4.312 4.411) 10.076 5.610 ( 6.452 -1.397 -3.497) 7.471 5.610 ( 6.452 -1.397 3.497) 7.471 5.765 ( -4.014 4.775 -9.027) 10.972 5.765 ( -4.014 4.775 9.027) 10.972 5.860 ( -4.302 -3.529 -9.331) 10.864 5.860 ( -4.302 -3.529 9.331) 10.864 6.086 ( -2.510 4.754 -2.804) 6.064 6.086 ( -2.510 4.754 2.804) 6.064 6.267 ( -6.106 -11.236 -1.742) 12.906 6.267 ( -6.106 -11.236 1.742) 12.906 6.666 ( -4.980 4.394 -3.358) 7.442 6.666 ( -4.980 4.394 3.358) 7.442 6.773 ( -6.273 -5.110 -2.712) 8.534 6.773 ( -6.273 -5.110 2.712) 8.534 7.123 ( 8.361 5.401 -1.857) 10.126 7.123 ( 8.361 5.401 1.857) 10.126 7.213 ( 7.264 -3.431 -3.572) 8.791 7.213 ( 7.264 -3.431 3.572) 8.791 7.507 ( 12.328 10.562 -0.841) 16.256 7.507 ( 12.328 10.562 0.841) 16.256 7.757 ( 3.092 -5.447 -3.149) 7.011 7.757 ( 3.092 -5.447 3.149) 7.011 7.805 ( 3.593 -0.031 -4.889) 6.067 7.805 ( 3.593 -0.031 4.889) 6.067 7.891 ( 0.710 -6.507 -3.235) 7.301 7.891 ( 0.710 -6.507 3.235) 7.301 8.243 ( -0.420 1.995 -4.789) 5.205 8.243 ( -0.420 1.995 4.789) 5.205 8.287 ( -0.580 -2.434 -3.305) 4.146 8.287 ( -0.580 -2.434 3.305) 4.146 8.439 ( -0.487 1.084 -4.077) 4.247 8.439 ( -0.487 1.084 4.077) 4.247 8.490 ( -1.272 -3.503 -2.382) 4.423 8.490 ( -1.272 -3.503 2.382) 4.423 9.323 ( 0.705 11.187 -2.021) 11.390 9.323 ( 0.705 11.187 2.021) 11.390 9.566 ( -1.159 -12.249 -3.741) 12.860 9.566 ( -1.159 -12.249 3.741) 12.860 10.264 ( -3.575 6.884 -2.957) 8.302 10.264 ( -3.575 6.884 2.957) 8.302 10.341 ( -1.449 -0.797 -1.810) 2.452 10.341 ( -1.449 -0.797 1.810) 2.452 10.773 ( -10.086 13.657 -1.075) 17.012 10.773 ( -10.086 13.657 1.075) 17.012 11.089 ( -11.966 -12.973 -3.605) 18.013 11.089 ( -11.966 -12.973 3.605) 18.013 12.396 ( -1.367 1.851 -0.640) 2.388 12.396 ( -1.367 1.851 0.640) 2.388 12.452 ( -1.250 -2.669 -1.487) 3.301 12.452 ( -1.250 -2.669 1.487) 3.301 14.129 ( -2.946 8.508 -1.367) 9.107 14.129 ( -2.946 8.508 1.367) 9.107 14.327 ( 0.365 -10.189 -2.268) 10.444 14.327 ( 0.365 -10.189 2.268) 10.444 15.615 ( 4.559 9.376 -4.770) 11.465 15.615 ( 4.559 9.376 4.770) 11.465 15.801 ( 3.318 -8.492 -3.980) 9.948 15.801 ( 3.318 -8.492 3.980) 9.948 18.691 ( 8.538 3.744 -1.013) 9.378 18.691 ( 8.538 3.744 1.013) 9.378 18.764 ( 7.464 -3.230 -1.045) 8.199 18.764 ( 7.464 -3.230 1.045) 8.199 19.337 ( 0.463 0.191 -6.382) 6.402 19.337 ( 0.463 0.191 6.382) 6.402 19.342 ( 0.545 -0.238 -6.414) 6.442 19.342 ( 0.545 -0.238 6.414) 6.442 20.074 ( -0.596 0.793 -8.732) 8.788 20.074 ( -0.596 0.793 8.732) 8.788 20.093 ( -1.111 -1.016 -8.124) 8.263 20.093 ( -1.111 -1.016 8.124) 8.263 20.730 ( -3.058 4.688 -4.091) 6.933 20.730 ( -3.058 4.688 4.091) 6.933 20.821 ( -1.685 -3.944 -4.904) 6.515 20.821 ( -1.685 -3.944 4.904) 6.515 24.377 ( -2.018 5.429 -3.394) 6.713 24.377 ( -2.018 5.429 3.394) 6.713 24.504 ( -4.787 -6.640 -5.566) 9.898 24.504 ( -4.787 -6.640 5.566) 9.898 25.259 ( 1.963 4.891 -2.420) 5.799 25.259 ( 1.963 4.891 2.420) 5.799 25.361 ( 3.378 -4.787 -2.311) 6.298 25.361 ( 3.378 -4.787 2.311) 6.298 26.812 ( -1.428 5.655 -1.745) 6.088 26.812 ( -1.428 5.655 1.745) 6.088 26.959 ( -7.017 -8.553 -1.429) 11.155 26.959 ( -7.017 -8.553 1.429) 11.155 30.169 ( -1.087 2.686 -0.666) 2.973 30.169 ( -1.087 2.686 0.666) 2.973 30.228 ( -0.274 -2.857 -0.607) 2.933 30.228 ( -0.274 -2.857 0.607) 2.933 36.146 ( 12.642 7.763 -7.878) 16.797 36.146 ( 12.642 7.763 7.878) 16.797 36.348 ( 15.318 -11.356 -8.265) 20.782 36.348 ( 15.318 -11.356 8.265) 20.782 39.091 ( 1.656 10.895 -1.477) 11.119 39.091 ( 1.656 10.895 1.477) 11.119 39.299 ( 2.419 -8.861 -0.503) 9.199 39.299 ( 2.419 -8.861 0.503) 9.199 39.483 ( -0.270 6.602 -3.922) 7.684 39.483 ( -0.270 6.602 3.922) 7.684 39.637 ( 2.478 -7.758 -4.581) 9.344 39.637 ( 2.478 -7.758 4.581) 9.344 42.571 ( -4.760 30.520 -14.832) 34.266 42.571 ( -4.760 30.520 14.832) 34.266 43.121 ( -6.114 -22.431 -16.676) 28.612 43.121 ( -6.114 -22.431 16.676) 28.612 ======================= Grid point 139 (48/48) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 3.411 6.498 -2.676) 7.812 2.056 ( 3.411 6.498 2.676) 7.812 2.163 ( -0.577 -3.664 -3.860) 5.353 2.163 ( -0.577 -3.664 3.860) 5.353 2.490 ( 0.567 1.159 -5.194) 5.352 2.490 ( 0.567 1.159 5.194) 5.352 2.519 ( 1.440 -1.454 -2.061) 2.904 2.519 ( 1.440 -1.454 2.061) 2.904 2.932 ( 1.162 3.990 -10.463) 11.258 2.932 ( 1.162 3.990 10.463) 11.258 3.012 ( -0.128 -2.724 -9.803) 10.176 3.012 ( -0.128 -2.724 9.803) 10.176 3.220 ( 3.150 2.795 -3.829) 5.692 3.220 ( 3.150 2.795 3.829) 5.692 3.257 ( 5.222 -0.903 -2.133) 5.712 3.257 ( 5.222 -0.903 2.133) 5.712 3.792 ( -0.574 4.091 -19.063) 19.506 3.792 ( -0.574 4.091 19.063) 19.506 3.857 ( -1.009 -1.680 -21.132) 21.223 3.857 ( -1.009 -1.680 21.132) 21.223 4.692 ( 2.171 -0.246 -8.942) 9.205 4.692 ( 2.171 -0.246 8.942) 9.205 4.735 ( 1.988 -3.693 -7.727) 8.792 4.735 ( 1.988 -3.693 7.727) 8.792 5.605 ( -1.196 0.594 -4.744) 4.928 5.605 ( -1.196 0.594 4.744) 4.928 5.616 ( -2.141 -0.084 -5.659) 6.051 5.616 ( -2.141 -0.084 5.659) 6.051 5.799 ( 4.090 3.850 -4.153) 6.986 5.799 ( 4.090 3.850 4.153) 6.986 5.850 ( 1.963 -0.636 -4.492) 4.943 5.850 ( 1.963 -0.636 4.492) 4.943 6.065 ( 0.724 -1.178 -2.035) 2.460 6.065 ( 0.724 -1.178 2.035) 2.460 6.134 ( -6.139 -8.590 -2.915) 10.953 6.134 ( -6.139 -8.590 2.915) 10.953 6.572 ( -3.169 3.389 -6.150) 7.704 6.572 ( -3.169 3.389 6.150) 7.704 6.673 ( -3.250 -5.983 -6.544) 9.444 6.673 ( -3.250 -5.983 6.544) 9.444 7.274 ( 5.239 3.523 -3.465) 7.202 7.274 ( 5.239 3.523 3.465) 7.202 7.330 ( 3.716 -2.306 -3.805) 5.797 7.330 ( 3.716 -2.306 3.805) 5.797 7.693 ( 1.088 3.375 -5.670) 6.688 7.693 ( 1.088 3.375 5.670) 6.688 7.726 ( -2.595 0.249 -5.755) 6.318 7.726 ( -2.595 0.249 5.755) 6.318 7.890 ( 11.004 8.914 -1.233) 14.215 7.890 ( 11.004 8.914 1.233) 14.215 8.007 ( 2.074 -0.362 -0.376) 2.139 8.007 ( 2.074 -0.362 0.376) 2.139 8.256 ( 2.421 2.640 -3.949) 5.331 8.256 ( 2.421 2.640 3.949) 5.331 8.292 ( -0.022 -0.886 -2.536) 2.687 8.292 ( -0.022 -0.886 2.536) 2.687 8.442 ( 0.737 1.556 -4.332) 4.661 8.442 ( 0.737 1.556 4.332) 4.661 8.502 ( 1.587 -2.799 -0.138) 3.221 8.502 ( 1.587 -2.799 0.138) 3.221 9.285 ( -3.326 6.384 -3.754) 8.119 9.285 ( -3.326 6.384 3.754) 8.119 9.468 ( -5.747 -10.335 -3.151) 12.238 9.468 ( -5.747 -10.335 3.151) 12.238 10.223 ( -0.810 7.546 -3.469) 8.344 10.223 ( -0.809 7.546 3.469) 8.344 10.336 ( 0.378 -2.898 -1.636) 3.350 10.336 ( 0.378 -2.898 1.636) 3.350 10.629 ( -3.332 6.216 -2.990) 7.660 10.629 ( -3.332 6.216 2.990) 7.660 10.835 ( -10.186 -10.637 -4.453) 15.387 10.835 ( -10.186 -10.637 4.453) 15.387 12.394 ( 0.545 1.261 -0.872) 1.627 12.394 ( 0.545 1.261 0.872) 1.627 12.448 ( 0.265 -2.936 -1.482) 3.300 12.448 ( 0.265 -2.936 1.482) 3.300 14.089 ( -1.116 10.279 -1.952) 10.522 14.089 ( -1.116 10.279 1.952) 10.522 14.328 ( -0.096 -12.741 -3.464) 13.204 14.328 ( -0.096 -12.741 3.464) 13.204 15.700 ( 2.996 8.167 -7.516) 11.496 15.700 ( 2.996 8.167 7.516) 11.496 15.853 ( 1.581 -6.895 -6.503) 9.609 15.853 ( 1.581 -6.895 6.503) 9.609 18.812 ( 3.357 2.387 -1.457) 4.369 18.812 ( 3.357 2.387 1.457) 4.369 18.861 ( 2.360 -2.313 -2.586) 4.196 18.861 ( 2.360 -2.313 2.586) 4.196 19.345 ( 0.268 0.228 -6.304) 6.314 19.345 ( 0.268 0.228 6.304) 6.314 19.351 ( 0.300 -0.314 -6.358) 6.373 19.351 ( 0.300 -0.314 6.358) 6.373 20.065 ( -0.286 0.593 -8.772) 8.797 20.065 ( -0.286 0.593 8.772) 8.797 20.077 ( -0.482 -0.529 -8.521) 8.551 20.077 ( -0.482 -0.529 8.521) 8.551 20.685 ( -1.284 5.951 -5.346) 8.102 20.685 ( -1.284 5.951 5.346) 8.102 20.796 ( -0.725 -4.566 -5.389) 7.100 20.796 ( -0.725 -4.566 5.389) 7.100 24.347 ( -0.845 3.645 -2.652) 4.586 24.347 ( -0.845 3.645 2.652) 4.586 24.431 ( -2.184 -4.307 -4.277) 6.451 24.431 ( -2.184 -4.307 4.277) 6.451 25.291 ( 0.961 5.597 -2.838) 6.348 25.291 ( 0.961 5.597 2.838) 6.348 25.410 ( 1.414 -5.765 -2.548) 6.459 25.410 ( 1.414 -5.765 2.548) 6.459 26.804 ( 0.807 1.683 -1.713) 2.533 26.804 ( 0.807 1.683 1.713) 2.533 26.850 ( -3.998 -2.710 -1.765) 5.143 26.850 ( -3.998 -2.710 1.765) 5.143 30.152 ( -0.525 3.291 -0.936) 3.461 30.152 ( -0.525 3.291 0.936) 3.461 30.223 ( -0.138 -3.472 -0.881) 3.585 30.223 ( -0.138 -3.472 0.881) 3.585 36.333 ( 5.364 9.070 -9.674) 14.305 36.333 ( 5.364 9.070 9.674) 14.305 36.566 ( 6.051 -13.032 -9.606) 17.284 36.566 ( 6.051 -13.032 9.606) 17.284 39.116 ( 0.742 11.439 -1.553) 11.567 39.116 ( 0.742 11.439 1.553) 11.567 39.337 ( 1.229 -9.876 -0.414) 9.960 39.337 ( 1.229 -9.876 0.414) 9.960 39.476 ( -0.275 8.655 -4.524) 9.770 39.476 ( -0.275 8.655 4.524) 9.770 39.675 ( 1.146 -10.125 -5.455) 11.558 39.675 ( 1.146 -10.125 5.455) 11.558 42.501 ( -2.008 28.655 -11.900) 31.092 42.501 ( -2.008 28.655 11.900) 31.092 43.030 ( -2.664 -22.110 -13.467) 26.025 43.030 ( -2.664 -22.110 13.467) 26.025 =================== 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 3/27720 10.0 337.606 279.658 317.011 0.000 0.000 0.000 3/27720 20.0 138.851 124.219 107.382 0.000 0.000 0.000 3/27720 30.0 79.278 67.324 60.724 0.000 0.000 0.000 3/27720 40.0 51.178 42.030 39.813 0.000 0.000 0.000 3/27720 50.0 35.911 28.830 27.865 0.000 0.000 0.000 3/27720 60.0 26.807 21.143 20.500 0.000 0.000 0.000 3/27720 70.0 20.984 16.309 15.763 0.000 0.000 0.000 3/27720 80.0 17.047 13.090 12.595 0.000 0.000 0.000 3/27720 90.0 14.260 10.843 10.392 0.000 0.000 0.000 3/27720 100.0 12.212 9.213 8.803 0.000 0.000 0.000 3/27720 110.0 10.657 7.991 7.617 0.000 0.000 0.000 3/27720 120.0 9.444 7.048 6.707 0.000 0.000 0.000 3/27720 130.0 8.476 6.303 5.989 0.000 0.000 0.000 3/27720 140.0 7.688 5.701 5.411 0.000 0.000 0.000 3/27720 150.0 7.035 5.207 4.936 0.000 0.000 0.000 3/27720 160.0 6.486 4.793 4.540 0.000 0.000 0.000 3/27720 170.0 6.018 4.443 4.205 0.000 0.000 0.000 3/27720 180.0 5.615 4.142 3.918 0.000 0.000 0.000 3/27720 190.0 5.265 3.882 3.669 0.000 0.000 0.000 3/27720 200.0 4.957 3.654 3.451 0.000 0.000 0.000 3/27720 210.0 4.684 3.453 3.260 0.000 0.000 0.000 3/27720 220.0 4.441 3.274 3.089 0.000 0.000 0.000 3/27720 230.0 4.223 3.114 2.937 0.000 0.000 0.000 3/27720 240.0 4.027 2.969 2.800 0.000 0.000 0.000 3/27720 250.0 3.849 2.839 2.676 0.000 0.000 0.000 3/27720 260.0 3.686 2.720 2.563 0.000 0.000 0.000 3/27720 270.0 3.537 2.612 2.461 0.000 0.000 0.000 3/27720 280.0 3.401 2.512 2.366 0.000 0.000 0.000 3/27720 290.0 3.275 2.420 2.279 0.000 0.000 0.000 3/27720 300.0 3.159 2.336 2.199 0.000 0.000 0.000 3/27720 310.0 3.050 2.257 2.125 0.000 0.000 0.000 3/27720 320.0 2.950 2.184 2.056 0.000 0.000 0.000 3/27720 330.0 2.856 2.116 1.992 0.000 0.000 0.000 3/27720 340.0 2.768 2.053 1.931 0.000 0.000 0.000 3/27720 350.0 2.686 1.993 1.875 0.000 0.000 0.000 3/27720 360.0 2.609 1.938 1.822 0.000 0.000 0.000 3/27720 370.0 2.536 1.885 1.773 0.000 0.000 0.000 3/27720 380.0 2.467 1.836 1.726 0.000 0.000 0.000 3/27720 390.0 2.402 1.789 1.681 0.000 0.000 0.000 3/27720 400.0 2.341 1.745 1.640 0.000 0.000 0.000 3/27720 410.0 2.283 1.703 1.600 0.000 0.000 0.000 3/27720 420.0 2.228 1.664 1.562 0.000 0.000 0.000 3/27720 430.0 2.175 1.626 1.527 0.000 0.000 0.000 3/27720 440.0 2.125 1.591 1.493 0.000 0.000 0.000 3/27720 450.0 2.078 1.556 1.460 0.000 0.000 0.000 3/27720 460.0 2.032 1.524 1.429 0.000 0.000 0.000 3/27720 470.0 1.989 1.493 1.400 0.000 0.000 0.000 3/27720 480.0 1.947 1.463 1.371 0.000 0.000 0.000 3/27720 490.0 1.907 1.435 1.344 0.000 0.000 0.000 3/27720 500.0 1.869 1.408 1.318 0.000 0.000 0.000 3/27720 510.0 1.833 1.382 1.293 0.000 0.000 0.000 3/27720 520.0 1.798 1.357 1.270 0.000 0.000 0.000 3/27720 530.0 1.764 1.333 1.247 0.000 0.000 0.000 3/27720 540.0 1.731 1.310 1.225 0.000 0.000 0.000 3/27720 550.0 1.700 1.287 1.203 0.000 0.000 0.000 3/27720 560.0 1.670 1.266 1.183 0.000 0.000 0.000 3/27720 570.0 1.641 1.245 1.163 0.000 0.000 0.000 3/27720 580.0 1.613 1.226 1.144 0.000 0.000 0.000 3/27720 590.0 1.586 1.206 1.126 0.000 0.000 0.000 3/27720 600.0 1.560 1.188 1.108 0.000 0.000 0.000 3/27720 610.0 1.535 1.170 1.091 0.000 0.000 0.000 3/27720 620.0 1.510 1.152 1.074 0.000 0.000 0.000 3/27720 630.0 1.487 1.136 1.058 0.000 0.000 0.000 3/27720 640.0 1.464 1.119 1.042 0.000 0.000 0.000 3/27720 650.0 1.442 1.104 1.027 0.000 0.000 0.000 3/27720 660.0 1.420 1.088 1.012 0.000 0.000 0.000 3/27720 670.0 1.399 1.073 0.998 0.000 0.000 0.000 3/27720 680.0 1.379 1.059 0.984 0.000 0.000 0.000 3/27720 690.0 1.360 1.045 0.971 0.000 0.000 0.000 3/27720 700.0 1.340 1.032 0.958 0.000 0.000 0.000 3/27720 710.0 1.322 1.018 0.945 0.000 0.000 0.000 3/27720 720.0 1.304 1.005 0.933 0.000 0.000 0.000 3/27720 730.0 1.286 0.993 0.921 0.000 0.000 0.000 3/27720 740.0 1.269 0.981 0.909 0.000 0.000 0.000 3/27720 750.0 1.253 0.969 0.898 0.000 0.000 0.000 3/27720 760.0 1.237 0.957 0.887 0.000 0.000 0.000 3/27720 770.0 1.221 0.946 0.876 0.000 0.000 0.000 3/27720 780.0 1.206 0.935 0.866 0.000 0.000 0.000 3/27720 790.0 1.191 0.924 0.855 0.000 0.000 0.000 3/27720 800.0 1.176 0.914 0.845 0.000 0.000 0.000 3/27720 810.0 1.162 0.904 0.836 0.000 0.000 0.000 3/27720 820.0 1.148 0.894 0.826 0.000 0.000 0.000 3/27720 830.0 1.135 0.884 0.817 0.000 0.000 0.000 3/27720 840.0 1.121 0.875 0.808 0.000 0.000 0.000 3/27720 850.0 1.108 0.865 0.799 0.000 0.000 0.000 3/27720 860.0 1.096 0.856 0.790 0.000 0.000 0.000 3/27720 870.0 1.084 0.847 0.782 0.000 0.000 0.000 3/27720 880.0 1.071 0.839 0.773 0.000 0.000 0.000 3/27720 890.0 1.060 0.830 0.765 0.000 0.000 0.000 3/27720 900.0 1.048 0.822 0.757 0.000 0.000 0.000 3/27720 910.0 1.037 0.814 0.749 0.000 0.000 0.000 3/27720 920.0 1.026 0.806 0.742 0.000 0.000 0.000 3/27720 930.0 1.015 0.798 0.734 0.000 0.000 0.000 3/27720 940.0 1.005 0.790 0.727 0.000 0.000 0.000 3/27720 950.0 0.994 0.783 0.720 0.000 0.000 0.000 3/27720 960.0 0.984 0.775 0.713 0.000 0.000 0.000 3/27720 970.0 0.974 0.768 0.706 0.000 0.000 0.000 3/27720 980.0 0.965 0.761 0.699 0.000 0.000 0.000 3/27720 990.0 0.955 0.754 0.693 0.000 0.000 0.000 3/27720 1000.0 0.946 0.747 0.686 0.000 0.000 0.000 3/27720 Thermal conductivity related properties were written into "kappa-m756.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:45:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|