----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:35:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.004521859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): *1 Na 0.50000000000000 0.99551684170268 0.25000000000000 22.990 2 Na 0.00000000000000 0.50448315829732 0.75000000000000 22.990 3 Na 0.50000000000000 0.00448315829732 0.75000000000000 22.990 4 Na 0.00000000000000 0.49551684170268 0.25000000000000 22.990 *5 Na 0.24154247092242 0.49446255583761 0.59198669994959 22.990 6 Na 0.75845752907758 0.49446255583761 0.90801330005041 22.990 7 Na 0.74154247092242 0.00553744416239 0.40801330005041 22.990 8 Na 0.25845752907758 0.00553744416239 0.09198669994959 22.990 9 Na 0.75845752907758 0.50553744416239 0.40801330005041 22.990 10 Na 0.24154247092242 0.50553744416239 0.09198669994959 22.990 11 Na 0.25845752907758 0.99446255583761 0.59198669994959 22.990 12 Na 0.74154247092242 0.99446255583761 0.90801330005041 22.990 *13 Na 0.12111493562936 0.66372477973649 0.38015688588057 22.990 14 Na 0.87888506437064 0.66372477973649 0.11984311411943 22.990 15 Na 0.62111493562936 0.83627522026351 0.61984311411943 22.990 16 Na 0.37888506437064 0.83627522026351 0.88015688588057 22.990 17 Na 0.87888506437064 0.33627522026351 0.61984311411943 22.990 18 Na 0.12111493562936 0.33627522026351 0.88015688588057 22.990 19 Na 0.37888506437064 0.16372477973649 0.38015688588057 22.990 20 Na 0.62111493562936 0.16372477973649 0.11984311411943 22.990 *21 Na 0.89163644759967 0.87511885459456 0.54323953894062 22.990 22 Na 0.10836355240033 0.87511885459456 0.95676046105938 22.990 23 Na 0.39163644759967 0.62488114540544 0.45676046105938 22.990 24 Na 0.60836355240033 0.62488114540544 0.04323953894062 22.990 25 Na 0.10836355240033 0.12488114540544 0.45676046105938 22.990 26 Na 0.89163644759967 0.12488114540544 0.04323953894062 22.990 27 Na 0.60836355240033 0.37511885459456 0.54323953894062 22.990 28 Na 0.39163644759967 0.37511885459456 0.95676046105938 22.990 *29 S 0.35647595952664 0.24975676239631 0.50250145287629 32.065 *30 S 0.62083912500375 0.73973871986284 0.83201236267517 32.065 31 S 0.37916087499625 0.73973871986284 0.66798763732483 32.065 32 S 0.12083912500375 0.76026128013716 0.16798763732482 32.065 33 S 0.87916087499625 0.76026128013716 0.33201236267517 32.065 34 S 0.37916087499625 0.26026128013716 0.16798763732482 32.065 35 S 0.62083912500375 0.26026128013716 0.33201236267517 32.065 36 S 0.87916087499625 0.23973871986284 0.83201236267517 32.065 37 S 0.12083912500375 0.23973871986284 0.66798763732483 32.065 *38 S 0.86516373648431 0.29082221778987 0.16099833386833 32.065 39 S 0.13483626351569 0.29082221778987 0.33900166613167 32.065 40 S 0.36516373648431 0.20917778221013 0.83900166613167 32.065 41 S 0.63483626351569 0.20917778221013 0.66099833386833 32.065 42 S 0.13483626351569 0.70917778221012 0.83900166613167 32.065 43 S 0.86516373648431 0.70917778221012 0.66099833386833 32.065 44 S 0.63483626351569 0.79082221778988 0.16099833386833 32.065 45 S 0.36516373648431 0.79082221778988 0.33900166613167 32.065 46 S 0.64352404047336 0.24975676239631 0.99749854712371 32.065 47 S 0.14352404047336 0.25024323760369 0.00250145287628 32.065 48 S 0.85647595952664 0.25024323760369 0.49749854712371 32.065 49 S 0.14352404047336 0.74975676239631 0.50250145287629 32.065 50 S 0.85647595952664 0.74975676239631 0.99749854712371 32.065 51 S 0.35647595952664 0.75024323760369 0.00250145287628 32.065 52 S 0.64352404047336 0.75024323760369 0.49749854712371 32.065 *53 Au 0.75985760302275 0.77686545122358 0.24587890990836 196.967 54 Au 0.24014239697725 0.77686545122358 0.25412109009164 196.967 *55 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 56 Au 0.25985760302275 0.72313454877642 0.75412109009164 196.967 57 Au 0.74014239697725 0.72313454877642 0.74587890990836 196.967 58 Au 0.24014239697725 0.22313454877642 0.75412109009164 196.967 59 Au 0.75985760302275 0.22313454877642 0.74587890990836 196.967 60 Au 0.74014239697725 0.27686545122358 0.24587890990836 196.967 61 Au 0.25985760302275 0.27686545122358 0.25412109009164 196.967 *62 Au 0.99540125252461 0.02964340906296 0.17194812481329 196.967 63 Au 0.00459874747539 0.02964340906296 0.32805187518672 196.967 64 Au 0.49540125252461 0.47035659093704 0.82805187518671 196.967 65 Au 0.50459874747539 0.47035659093704 0.67194812481329 196.967 66 Au 0.00459874747539 0.97035659093704 0.82805187518671 196.967 67 Au 0.99540125252461 0.97035659093704 0.67194812481329 196.967 68 Au 0.50459874747539 0.52964340906296 0.17194812481329 196.967 69 Au 0.49540125252461 0.52964340906296 0.32805187518672 196.967 70 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 71 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 72 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.004521859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): *1 Na 0.50000000000000 0.99551684170268 0.25000000000000 22.990 > 1 2 Na 0.00000000000000 0.50448315829732 0.75000000000000 22.990 > 2 3 Na 0.50000000000000 0.00448315829732 0.75000000000000 22.990 > 3 4 Na 0.00000000000000 0.49551684170268 0.25000000000000 22.990 > 4 *5 Na 0.24154247092242 0.49446255583761 0.59198669994959 22.990 > 5 6 Na 0.75845752907758 0.49446255583761 0.90801330005041 22.990 > 6 7 Na 0.74154247092242 0.00553744416239 0.40801330005041 22.990 > 7 8 Na 0.25845752907758 0.00553744416239 0.09198669994959 22.990 > 8 9 Na 0.75845752907758 0.50553744416239 0.40801330005041 22.990 > 9 10 Na 0.24154247092242 0.50553744416239 0.09198669994959 22.990 > 10 11 Na 0.25845752907758 0.99446255583761 0.59198669994959 22.990 > 11 12 Na 0.74154247092242 0.99446255583761 0.90801330005041 22.990 > 12 *13 Na 0.12111493562936 0.66372477973649 0.38015688588057 22.990 > 13 14 Na 0.87888506437064 0.66372477973649 0.11984311411943 22.990 > 14 15 Na 0.62111493562936 0.83627522026351 0.61984311411943 22.990 > 15 16 Na 0.37888506437064 0.83627522026351 0.88015688588057 22.990 > 16 17 Na 0.87888506437064 0.33627522026351 0.61984311411943 22.990 > 17 18 Na 0.12111493562936 0.33627522026351 0.88015688588057 22.990 > 18 19 Na 0.37888506437064 0.16372477973649 0.38015688588057 22.990 > 19 20 Na 0.62111493562936 0.16372477973649 0.11984311411943 22.990 > 20 *21 Na 0.89163644759967 0.87511885459456 0.54323953894062 22.990 > 21 22 Na 0.10836355240033 0.87511885459456 0.95676046105938 22.990 > 22 23 Na 0.39163644759967 0.62488114540544 0.45676046105938 22.990 > 23 24 Na 0.60836355240033 0.62488114540544 0.04323953894062 22.990 > 24 25 Na 0.10836355240033 0.12488114540544 0.45676046105938 22.990 > 25 26 Na 0.89163644759967 0.12488114540544 0.04323953894062 22.990 > 26 27 Na 0.60836355240033 0.37511885459456 0.54323953894062 22.990 > 27 28 Na 0.39163644759967 0.37511885459456 0.95676046105938 22.990 > 28 *29 S 0.35647595952664 0.24975676239631 0.50250145287629 32.065 > 29 *30 S 0.62083912500375 0.73973871986284 0.83201236267517 32.065 > 30 31 S 0.37916087499625 0.73973871986284 0.66798763732483 32.065 > 31 32 S 0.12083912500375 0.76026128013716 0.16798763732482 32.065 > 32 33 S 0.87916087499625 0.76026128013716 0.33201236267517 32.065 > 33 34 S 0.37916087499625 0.26026128013716 0.16798763732482 32.065 > 34 35 S 0.62083912500375 0.26026128013716 0.33201236267517 32.065 > 35 36 S 0.87916087499625 0.23973871986284 0.83201236267517 32.065 > 36 37 S 0.12083912500375 0.23973871986284 0.66798763732483 32.065 > 37 *38 S 0.86516373648431 0.29082221778987 0.16099833386833 32.065 > 38 39 S 0.13483626351569 0.29082221778987 0.33900166613167 32.065 > 39 40 S 0.36516373648431 0.20917778221013 0.83900166613167 32.065 > 40 41 S 0.63483626351569 0.20917778221013 0.66099833386833 32.065 > 41 42 S 0.13483626351569 0.70917778221012 0.83900166613167 32.065 > 42 43 S 0.86516373648431 0.70917778221012 0.66099833386833 32.065 > 43 44 S 0.63483626351569 0.79082221778988 0.16099833386833 32.065 > 44 45 S 0.36516373648431 0.79082221778988 0.33900166613167 32.065 > 45 46 S 0.64352404047336 0.24975676239631 0.99749854712371 32.065 > 46 47 S 0.14352404047336 0.25024323760369 0.00250145287628 32.065 > 47 48 S 0.85647595952664 0.25024323760369 0.49749854712371 32.065 > 48 49 S 0.14352404047336 0.74975676239631 0.50250145287629 32.065 > 49 50 S 0.85647595952664 0.74975676239631 0.99749854712371 32.065 > 50 51 S 0.35647595952664 0.75024323760369 0.00250145287628 32.065 > 51 52 S 0.64352404047336 0.75024323760369 0.49749854712371 32.065 > 52 *53 Au 0.75985760302275 0.77686545122358 0.24587890990836 196.967 > 53 54 Au 0.24014239697725 0.77686545122358 0.25412109009164 196.967 > 54 *55 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 55 56 Au 0.25985760302275 0.72313454877642 0.75412109009164 196.967 > 56 57 Au 0.74014239697725 0.72313454877642 0.74587890990836 196.967 > 57 58 Au 0.24014239697725 0.22313454877642 0.75412109009164 196.967 > 58 59 Au 0.75985760302275 0.22313454877642 0.74587890990836 196.967 > 59 60 Au 0.74014239697725 0.27686545122358 0.24587890990836 196.967 > 60 61 Au 0.25985760302275 0.27686545122358 0.25412109009164 196.967 > 61 *62 Au 0.99540125252461 0.02964340906296 0.17194812481329 196.967 > 62 63 Au 0.00459874747539 0.02964340906296 0.32805187518672 196.967 > 63 64 Au 0.49540125252461 0.47035659093704 0.82805187518671 196.967 > 64 65 Au 0.50459874747539 0.47035659093704 0.67194812481329 196.967 > 65 66 Au 0.00459874747539 0.97035659093704 0.82805187518671 196.967 > 66 67 Au 0.99540125252461 0.97035659093704 0.67194812481329 196.967 > 67 68 Au 0.50459874747539 0.52964340906296 0.17194812481329 196.967 > 68 69 Au 0.49540125252461 0.52964340906296 0.32805187518672 196.967 > 69 70 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 70 71 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 71 72 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009043719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): *1 Na 0.50000000000000 0.49775842085134 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.99775842085134 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25224157914866 0.75000000000000 22.990 > 2 4 Na 0.00000000000000 0.75224157914866 0.75000000000000 22.990 > 2 5 Na 0.50000000000000 0.00224157914866 0.75000000000000 22.990 > 3 6 Na 0.50000000000000 0.50224157914866 0.75000000000000 22.990 > 3 7 Na 0.00000000000000 0.24775842085134 0.25000000000000 22.990 > 4 8 Na 0.00000000000000 0.74775842085134 0.25000000000000 22.990 > 4 *9 Na 0.24154247092242 0.24723127791881 0.59198669994959 22.990 > 5 10 Na 0.24154247092242 0.74723127791881 0.59198669994959 22.990 > 5 11 Na 0.75845752907758 0.24723127791881 0.90801330005041 22.990 > 6 12 Na 0.75845752907758 0.74723127791881 0.90801330005041 22.990 > 6 13 Na 0.74154247092242 0.00276872208119 0.40801330005041 22.990 > 7 14 Na 0.74154247092242 0.50276872208119 0.40801330005041 22.990 > 7 15 Na 0.25845752907758 0.00276872208119 0.09198669994959 22.990 > 8 16 Na 0.25845752907758 0.50276872208119 0.09198669994959 22.990 > 8 17 Na 0.75845752907758 0.25276872208119 0.40801330005041 22.990 > 9 18 Na 0.75845752907758 0.75276872208119 0.40801330005041 22.990 > 9 19 Na 0.24154247092242 0.25276872208119 0.09198669994959 22.990 > 10 20 Na 0.24154247092242 0.75276872208119 0.09198669994959 22.990 > 10 21 Na 0.25845752907758 0.49723127791881 0.59198669994959 22.990 > 11 22 Na 0.25845752907758 0.99723127791881 0.59198669994959 22.990 > 11 23 Na 0.74154247092242 0.49723127791881 0.90801330005041 22.990 > 12 24 Na 0.74154247092242 0.99723127791881 0.90801330005041 22.990 > 12 *25 Na 0.12111493562936 0.33186238986825 0.38015688588057 22.990 > 13 26 Na 0.12111493562936 0.83186238986825 0.38015688588057 22.990 > 13 27 Na 0.87888506437064 0.33186238986825 0.11984311411943 22.990 > 14 28 Na 0.87888506437064 0.83186238986825 0.11984311411943 22.990 > 14 29 Na 0.62111493562936 0.41813761013175 0.61984311411943 22.990 > 15 30 Na 0.62111493562936 0.91813761013175 0.61984311411943 22.990 > 15 31 Na 0.37888506437064 0.41813761013175 0.88015688588057 22.990 > 16 32 Na 0.37888506437064 0.91813761013175 0.88015688588057 22.990 > 16 33 Na 0.87888506437064 0.16813761013175 0.61984311411943 22.990 > 17 34 Na 0.87888506437064 0.66813761013175 0.61984311411943 22.990 > 17 35 Na 0.12111493562936 0.16813761013175 0.88015688588057 22.990 > 18 36 Na 0.12111493562936 0.66813761013175 0.88015688588057 22.990 > 18 37 Na 0.37888506437064 0.08186238986824 0.38015688588057 22.990 > 19 38 Na 0.37888506437064 0.58186238986825 0.38015688588057 22.990 > 19 39 Na 0.62111493562936 0.08186238986824 0.11984311411943 22.990 > 20 40 Na 0.62111493562936 0.58186238986825 0.11984311411943 22.990 > 20 *41 Na 0.89163644759967 0.43755942729728 0.54323953894062 22.990 > 21 42 Na 0.89163644759967 0.93755942729728 0.54323953894062 22.990 > 21 43 Na 0.10836355240033 0.43755942729728 0.95676046105938 22.990 > 22 44 Na 0.10836355240033 0.93755942729728 0.95676046105938 22.990 > 22 45 Na 0.39163644759967 0.31244057270272 0.45676046105938 22.990 > 23 46 Na 0.39163644759967 0.81244057270272 0.45676046105938 22.990 > 23 47 Na 0.60836355240033 0.31244057270272 0.04323953894062 22.990 > 24 48 Na 0.60836355240033 0.81244057270272 0.04323953894062 22.990 > 24 49 Na 0.10836355240033 0.06244057270272 0.45676046105938 22.990 > 25 50 Na 0.10836355240033 0.56244057270272 0.45676046105938 22.990 > 25 51 Na 0.89163644759967 0.06244057270272 0.04323953894062 22.990 > 26 52 Na 0.89163644759967 0.56244057270272 0.04323953894062 22.990 > 26 53 Na 0.60836355240033 0.18755942729728 0.54323953894062 22.990 > 27 54 Na 0.60836355240033 0.68755942729728 0.54323953894062 22.990 > 27 55 Na 0.39163644759967 0.18755942729728 0.95676046105938 22.990 > 28 56 Na 0.39163644759967 0.68755942729728 0.95676046105938 22.990 > 28 *57 S 0.35647595952664 0.12487838119815 0.50250145287629 32.065 > 29 58 S 0.35647595952664 0.62487838119815 0.50250145287629 32.065 > 29 *59 S 0.62083912500375 0.36986935993142 0.83201236267517 32.065 > 30 60 S 0.62083912500375 0.86986935993142 0.83201236267517 32.065 > 30 61 S 0.37916087499625 0.36986935993142 0.66798763732483 32.065 > 31 62 S 0.37916087499625 0.86986935993142 0.66798763732483 32.065 > 31 63 S 0.12083912500375 0.38013064006858 0.16798763732482 32.065 > 32 64 S 0.12083912500375 0.88013064006858 0.16798763732482 32.065 > 32 65 S 0.87916087499625 0.38013064006858 0.33201236267517 32.065 > 33 66 S 0.87916087499625 0.88013064006858 0.33201236267517 32.065 > 33 67 S 0.37916087499625 0.13013064006858 0.16798763732482 32.065 > 34 68 S 0.37916087499625 0.63013064006858 0.16798763732482 32.065 > 34 69 S 0.62083912500375 0.13013064006858 0.33201236267517 32.065 > 35 70 S 0.62083912500375 0.63013064006858 0.33201236267517 32.065 > 35 71 S 0.87916087499625 0.11986935993142 0.83201236267517 32.065 > 36 72 S 0.87916087499625 0.61986935993142 0.83201236267517 32.065 > 36 73 S 0.12083912500375 0.11986935993142 0.66798763732483 32.065 > 37 74 S 0.12083912500375 0.61986935993142 0.66798763732483 32.065 > 37 *75 S 0.86516373648431 0.14541110889494 0.16099833386833 32.065 > 38 76 S 0.86516373648431 0.64541110889494 0.16099833386833 32.065 > 38 77 S 0.13483626351569 0.14541110889494 0.33900166613167 32.065 > 39 78 S 0.13483626351569 0.64541110889494 0.33900166613167 32.065 > 39 79 S 0.36516373648431 0.10458889110506 0.83900166613167 32.065 > 40 80 S 0.36516373648431 0.60458889110506 0.83900166613167 32.065 > 40 81 S 0.63483626351569 0.10458889110506 0.66099833386833 32.065 > 41 82 S 0.63483626351569 0.60458889110506 0.66099833386833 32.065 > 41 83 S 0.13483626351569 0.35458889110506 0.83900166613167 32.065 > 42 84 S 0.13483626351569 0.85458889110506 0.83900166613167 32.065 > 42 85 S 0.86516373648431 0.35458889110506 0.66099833386833 32.065 > 43 86 S 0.86516373648431 0.85458889110506 0.66099833386833 32.065 > 43 87 S 0.63483626351569 0.39541110889494 0.16099833386833 32.065 > 44 88 S 0.63483626351569 0.89541110889494 0.16099833386833 32.065 > 44 89 S 0.36516373648431 0.39541110889494 0.33900166613167 32.065 > 45 90 S 0.36516373648431 0.89541110889494 0.33900166613167 32.065 > 45 91 S 0.64352404047336 0.12487838119815 0.99749854712371 32.065 > 46 92 S 0.64352404047336 0.62487838119815 0.99749854712371 32.065 > 46 93 S 0.14352404047336 0.12512161880185 0.00250145287628 32.065 > 47 94 S 0.14352404047336 0.62512161880185 0.00250145287628 32.065 > 47 95 S 0.85647595952664 0.12512161880185 0.49749854712371 32.065 > 48 96 S 0.85647595952664 0.62512161880185 0.49749854712371 32.065 > 48 97 S 0.14352404047336 0.37487838119815 0.50250145287629 32.065 > 49 98 S 0.14352404047336 0.87487838119815 0.50250145287629 32.065 > 49 99 S 0.85647595952664 0.37487838119815 0.99749854712371 32.065 > 50 100 S 0.85647595952664 0.87487838119815 0.99749854712371 32.065 > 50 101 S 0.35647595952664 0.37512161880185 0.00250145287628 32.065 > 51 102 S 0.35647595952664 0.87512161880185 0.00250145287628 32.065 > 51 103 S 0.64352404047336 0.37512161880185 0.49749854712371 32.065 > 52 104 S 0.64352404047336 0.87512161880185 0.49749854712371 32.065 > 52 *105 Au 0.75985760302275 0.38843272561179 0.24587890990836 196.967 > 53 106 Au 0.75985760302275 0.88843272561179 0.24587890990836 196.967 > 53 107 Au 0.24014239697725 0.38843272561179 0.25412109009164 196.967 > 54 108 Au 0.24014239697725 0.88843272561179 0.25412109009164 196.967 > 54 *109 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 55 110 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 55 111 Au 0.25985760302275 0.36156727438821 0.75412109009164 196.967 > 56 112 Au 0.25985760302275 0.86156727438821 0.75412109009164 196.967 > 56 113 Au 0.74014239697725 0.36156727438821 0.74587890990836 196.967 > 57 114 Au 0.74014239697725 0.86156727438821 0.74587890990836 196.967 > 57 115 Au 0.24014239697725 0.11156727438821 0.75412109009164 196.967 > 58 116 Au 0.24014239697725 0.61156727438821 0.75412109009164 196.967 > 58 117 Au 0.75985760302275 0.11156727438821 0.74587890990836 196.967 > 59 118 Au 0.75985760302275 0.61156727438821 0.74587890990836 196.967 > 59 119 Au 0.74014239697725 0.13843272561179 0.24587890990836 196.967 > 60 120 Au 0.74014239697725 0.63843272561179 0.24587890990836 196.967 > 60 121 Au 0.25985760302275 0.13843272561179 0.25412109009164 196.967 > 61 122 Au 0.25985760302275 0.63843272561179 0.25412109009164 196.967 > 61 *123 Au 0.99540125252461 0.01482170453148 0.17194812481329 196.967 > 62 124 Au 0.99540125252461 0.51482170453148 0.17194812481329 196.967 > 62 125 Au 0.00459874747539 0.01482170453148 0.32805187518672 196.967 > 63 126 Au 0.00459874747539 0.51482170453148 0.32805187518672 196.967 > 63 127 Au 0.49540125252461 0.23517829546852 0.82805187518671 196.967 > 64 128 Au 0.49540125252461 0.73517829546852 0.82805187518671 196.967 > 64 129 Au 0.50459874747539 0.23517829546852 0.67194812481329 196.967 > 65 130 Au 0.50459874747539 0.73517829546852 0.67194812481329 196.967 > 65 131 Au 0.00459874747539 0.48517829546852 0.82805187518671 196.967 > 66 132 Au 0.00459874747539 0.98517829546852 0.82805187518671 196.967 > 66 133 Au 0.99540125252461 0.48517829546852 0.67194812481329 196.967 > 67 134 Au 0.99540125252461 0.98517829546852 0.67194812481329 196.967 > 67 135 Au 0.50459874747539 0.26482170453148 0.17194812481329 196.967 > 68 136 Au 0.50459874747539 0.76482170453148 0.17194812481329 196.967 > 68 137 Au 0.49540125252461 0.26482170453148 0.32805187518672 196.967 > 69 138 Au 0.49540125252461 0.76482170453148 0.32805187518672 196.967 > 69 139 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 70 140 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 70 141 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 71 142 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 71 143 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 72 144 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5416178 0.0000000 0.0000000 0.0000000 5.3190325 0.0000000 0.0000000 0.0000000 4.4580904 -------------------------- Born effective charges -------------------------- 1 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 2 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 3 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 4 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 5 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 6 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 7 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 8 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 9 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 10 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 11 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 12 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 13 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 14 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 15 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 16 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 17 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 18 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 19 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 20 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 21 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 22 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 23 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 24 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 25 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 26 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 27 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 28 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 29 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 30 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 31 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 32 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 33 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 34 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 35 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 36 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 37 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 38 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 39 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 40 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 41 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 42 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 43 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 44 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 45 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 46 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 47 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 48 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 49 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 50 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 51 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 52 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 53 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 54 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 55 Au 0.2410075 1.0431726 0.0263205 0.9010012 0.4552353 0.0809974 0.0038624 0.0495706 -0.7252439 56 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 57 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 58 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 59 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 60 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 61 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 62 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 63 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 64 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 65 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 66 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 67 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 68 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 69 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 70 Au 0.2410075 1.0431726 -0.0263205 0.9010012 0.4552353 -0.0809974 -0.0038624 -0.0495706 -0.7252439 71 Au 0.2410075 -1.0431726 -0.0263205 -0.9010012 0.4552353 0.0809974 -0.0038624 0.0495706 -0.7252439 72 Au 0.2410075 -1.0431726 0.0263205 -0.9010012 0.4552353 -0.0809974 0.0038624 -0.0495706 -0.7252439 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1302 / 1302 (1) 284 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6005, 5919), data: False |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 34), data: (1294, 52) @ (52, 34) |-- (294, 276), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 33), data: (1294, 51) @ (51, 33) |-- (294, 279), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1282), data: False |-- (1302, 34), data: (1302, 54) @ (54, 34) |-- (302, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.771 Solver_block: 200 / 1120 - Time: 2.627 Solver_block: 300 / 1120 - Time: 2.543 Solver_block: 400 / 1120 - Time: 2.526 Solver_block: 500 / 1120 - Time: 2.284 Solver_block: 600 / 1120 - Time: 2.692 Solver_block: 700 / 1120 - Time: 1.992 Solver_block: 800 / 1120 - Time: 4.557 Solver_block: 900 / 1120 - Time: 2.448 Solver_block: 1000 / 1120 - Time: 1.989 Solver_block: 1100 / 1120 - Time: 4.538 Solver_block: 1120 / 1120 - Time: 0.932 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 33.172 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1302 / 1302 (1) 284 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (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) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 196 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6005, 5919), data: False |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 9), data: (705, 19) @ (19, 9) |-- (205, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 34), data: (1294, 52) @ (52, 34) |-- (294, 276), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 33), data: (1294, 51) @ (51, 33) |-- (294, 279), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1302, 1282), data: False |-- (1302, 34), data: (1302, 54) @ (54, 34) |-- (302, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 07:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:37:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.004521859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): 1 Na 0.50000000000000 0.99551684170268 0.25000000000000 22.990 2 Na 0.00000000000000 0.50448315829732 0.75000000000000 22.990 3 Na 0.50000000000000 0.00448315829732 0.75000000000000 22.990 4 Na 0.00000000000000 0.49551684170268 0.25000000000000 22.990 5 Na 0.24154247092242 0.49446255583761 0.59198669994959 22.990 6 Na 0.75845752907758 0.49446255583761 0.90801330005041 22.990 7 Na 0.74154247092242 0.00553744416239 0.40801330005041 22.990 8 Na 0.25845752907758 0.00553744416239 0.09198669994959 22.990 9 Na 0.75845752907758 0.50553744416239 0.40801330005041 22.990 10 Na 0.24154247092242 0.50553744416239 0.09198669994959 22.990 11 Na 0.25845752907758 0.99446255583761 0.59198669994959 22.990 12 Na 0.74154247092242 0.99446255583761 0.90801330005041 22.990 13 Na 0.12111493562936 0.66372477973649 0.38015688588057 22.990 14 Na 0.87888506437064 0.66372477973649 0.11984311411943 22.990 15 Na 0.62111493562936 0.83627522026351 0.61984311411943 22.990 16 Na 0.37888506437064 0.83627522026351 0.88015688588057 22.990 17 Na 0.87888506437064 0.33627522026351 0.61984311411943 22.990 18 Na 0.12111493562936 0.33627522026351 0.88015688588057 22.990 19 Na 0.37888506437064 0.16372477973649 0.38015688588057 22.990 20 Na 0.62111493562936 0.16372477973649 0.11984311411943 22.990 21 Na 0.89163644759967 0.87511885459456 0.54323953894062 22.990 22 Na 0.10836355240033 0.87511885459456 0.95676046105938 22.990 23 Na 0.39163644759967 0.62488114540544 0.45676046105938 22.990 24 Na 0.60836355240033 0.62488114540544 0.04323953894062 22.990 25 Na 0.10836355240033 0.12488114540544 0.45676046105938 22.990 26 Na 0.89163644759967 0.12488114540544 0.04323953894062 22.990 27 Na 0.60836355240033 0.37511885459456 0.54323953894062 22.990 28 Na 0.39163644759967 0.37511885459456 0.95676046105938 22.990 29 S 0.35647595952664 0.24975676239631 0.50250145287629 32.065 30 S 0.62083912500375 0.73973871986284 0.83201236267517 32.065 31 S 0.37916087499625 0.73973871986284 0.66798763732483 32.065 32 S 0.12083912500375 0.76026128013716 0.16798763732482 32.065 33 S 0.87916087499625 0.76026128013716 0.33201236267517 32.065 34 S 0.37916087499625 0.26026128013716 0.16798763732482 32.065 35 S 0.62083912500375 0.26026128013716 0.33201236267517 32.065 36 S 0.87916087499625 0.23973871986284 0.83201236267517 32.065 37 S 0.12083912500375 0.23973871986284 0.66798763732483 32.065 38 S 0.86516373648431 0.29082221778987 0.16099833386833 32.065 39 S 0.13483626351569 0.29082221778987 0.33900166613167 32.065 40 S 0.36516373648431 0.20917778221013 0.83900166613167 32.065 41 S 0.63483626351569 0.20917778221013 0.66099833386833 32.065 42 S 0.13483626351569 0.70917778221012 0.83900166613167 32.065 43 S 0.86516373648431 0.70917778221012 0.66099833386833 32.065 44 S 0.63483626351569 0.79082221778988 0.16099833386833 32.065 45 S 0.36516373648431 0.79082221778988 0.33900166613167 32.065 46 S 0.64352404047336 0.24975676239631 0.99749854712371 32.065 47 S 0.14352404047336 0.25024323760369 0.00250145287628 32.065 48 S 0.85647595952664 0.25024323760369 0.49749854712371 32.065 49 S 0.14352404047336 0.74975676239631 0.50250145287629 32.065 50 S 0.85647595952664 0.74975676239631 0.99749854712371 32.065 51 S 0.35647595952664 0.75024323760369 0.00250145287628 32.065 52 S 0.64352404047336 0.75024323760369 0.49749854712371 32.065 53 Au 0.75985760302275 0.77686545122358 0.24587890990836 196.967 54 Au 0.24014239697725 0.77686545122358 0.25412109009164 196.967 55 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 56 Au 0.25985760302275 0.72313454877642 0.75412109009164 196.967 57 Au 0.74014239697725 0.72313454877642 0.74587890990836 196.967 58 Au 0.24014239697725 0.22313454877642 0.75412109009164 196.967 59 Au 0.75985760302275 0.22313454877642 0.74587890990836 196.967 60 Au 0.74014239697725 0.27686545122358 0.24587890990836 196.967 61 Au 0.25985760302275 0.27686545122358 0.25412109009164 196.967 62 Au 0.99540125252461 0.02964340906296 0.17194812481329 196.967 63 Au 0.00459874747539 0.02964340906296 0.32805187518672 196.967 64 Au 0.49540125252461 0.47035659093704 0.82805187518671 196.967 65 Au 0.50459874747539 0.47035659093704 0.67194812481329 196.967 66 Au 0.00459874747539 0.97035659093704 0.82805187518671 196.967 67 Au 0.99540125252461 0.97035659093704 0.67194812481329 196.967 68 Au 0.50459874747539 0.52964340906296 0.17194812481329 196.967 69 Au 0.49540125252461 0.52964340906296 0.32805187518672 196.967 70 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 71 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 72 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009043719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): 1 Na 0.50000000000000 0.49775842085134 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.99775842085134 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25224157914866 0.75000000000000 22.990 > 3 4 Na 0.00000000000000 0.75224157914866 0.75000000000000 22.990 > 3 5 Na 0.50000000000000 0.00224157914866 0.75000000000000 22.990 > 5 6 Na 0.50000000000000 0.50224157914866 0.75000000000000 22.990 > 5 7 Na 0.00000000000000 0.24775842085134 0.25000000000000 22.990 > 7 8 Na 0.00000000000000 0.74775842085134 0.25000000000000 22.990 > 7 9 Na 0.24154247092242 0.24723127791881 0.59198669994959 22.990 > 9 10 Na 0.24154247092242 0.74723127791881 0.59198669994959 22.990 > 9 11 Na 0.75845752907758 0.24723127791881 0.90801330005041 22.990 > 11 12 Na 0.75845752907758 0.74723127791881 0.90801330005041 22.990 > 11 13 Na 0.74154247092242 0.00276872208119 0.40801330005041 22.990 > 13 14 Na 0.74154247092242 0.50276872208119 0.40801330005041 22.990 > 13 15 Na 0.25845752907758 0.00276872208119 0.09198669994959 22.990 > 15 16 Na 0.25845752907758 0.50276872208119 0.09198669994959 22.990 > 15 17 Na 0.75845752907758 0.25276872208119 0.40801330005041 22.990 > 17 18 Na 0.75845752907758 0.75276872208119 0.40801330005041 22.990 > 17 19 Na 0.24154247092242 0.25276872208119 0.09198669994959 22.990 > 19 20 Na 0.24154247092242 0.75276872208119 0.09198669994959 22.990 > 19 21 Na 0.25845752907758 0.49723127791881 0.59198669994959 22.990 > 21 22 Na 0.25845752907758 0.99723127791881 0.59198669994959 22.990 > 21 23 Na 0.74154247092242 0.49723127791881 0.90801330005041 22.990 > 23 24 Na 0.74154247092242 0.99723127791881 0.90801330005041 22.990 > 23 25 Na 0.12111493562936 0.33186238986825 0.38015688588057 22.990 > 25 26 Na 0.12111493562936 0.83186238986825 0.38015688588057 22.990 > 25 27 Na 0.87888506437064 0.33186238986825 0.11984311411943 22.990 > 27 28 Na 0.87888506437064 0.83186238986825 0.11984311411943 22.990 > 27 29 Na 0.62111493562936 0.41813761013175 0.61984311411943 22.990 > 29 30 Na 0.62111493562936 0.91813761013175 0.61984311411943 22.990 > 29 31 Na 0.37888506437064 0.41813761013175 0.88015688588057 22.990 > 31 32 Na 0.37888506437064 0.91813761013175 0.88015688588057 22.990 > 31 33 Na 0.87888506437064 0.16813761013175 0.61984311411943 22.990 > 33 34 Na 0.87888506437064 0.66813761013175 0.61984311411943 22.990 > 33 35 Na 0.12111493562936 0.16813761013175 0.88015688588057 22.990 > 35 36 Na 0.12111493562936 0.66813761013175 0.88015688588057 22.990 > 35 37 Na 0.37888506437064 0.08186238986824 0.38015688588057 22.990 > 37 38 Na 0.37888506437064 0.58186238986825 0.38015688588057 22.990 > 37 39 Na 0.62111493562936 0.08186238986824 0.11984311411943 22.990 > 39 40 Na 0.62111493562936 0.58186238986825 0.11984311411943 22.990 > 39 41 Na 0.89163644759967 0.43755942729728 0.54323953894062 22.990 > 41 42 Na 0.89163644759967 0.93755942729728 0.54323953894062 22.990 > 41 43 Na 0.10836355240033 0.43755942729728 0.95676046105938 22.990 > 43 44 Na 0.10836355240033 0.93755942729728 0.95676046105938 22.990 > 43 45 Na 0.39163644759967 0.31244057270272 0.45676046105938 22.990 > 45 46 Na 0.39163644759967 0.81244057270272 0.45676046105938 22.990 > 45 47 Na 0.60836355240033 0.31244057270272 0.04323953894062 22.990 > 47 48 Na 0.60836355240033 0.81244057270272 0.04323953894062 22.990 > 47 49 Na 0.10836355240033 0.06244057270272 0.45676046105938 22.990 > 49 50 Na 0.10836355240033 0.56244057270272 0.45676046105938 22.990 > 49 51 Na 0.89163644759967 0.06244057270272 0.04323953894062 22.990 > 51 52 Na 0.89163644759967 0.56244057270272 0.04323953894062 22.990 > 51 53 Na 0.60836355240033 0.18755942729728 0.54323953894062 22.990 > 53 54 Na 0.60836355240033 0.68755942729728 0.54323953894062 22.990 > 53 55 Na 0.39163644759967 0.18755942729728 0.95676046105938 22.990 > 55 56 Na 0.39163644759967 0.68755942729728 0.95676046105938 22.990 > 55 57 S 0.35647595952664 0.12487838119815 0.50250145287629 32.065 > 57 58 S 0.35647595952664 0.62487838119815 0.50250145287629 32.065 > 57 59 S 0.62083912500375 0.36986935993142 0.83201236267517 32.065 > 59 60 S 0.62083912500375 0.86986935993142 0.83201236267517 32.065 > 59 61 S 0.37916087499625 0.36986935993142 0.66798763732483 32.065 > 61 62 S 0.37916087499625 0.86986935993142 0.66798763732483 32.065 > 61 63 S 0.12083912500375 0.38013064006858 0.16798763732482 32.065 > 63 64 S 0.12083912500375 0.88013064006858 0.16798763732482 32.065 > 63 65 S 0.87916087499625 0.38013064006858 0.33201236267517 32.065 > 65 66 S 0.87916087499625 0.88013064006858 0.33201236267517 32.065 > 65 67 S 0.37916087499625 0.13013064006858 0.16798763732482 32.065 > 67 68 S 0.37916087499625 0.63013064006858 0.16798763732482 32.065 > 67 69 S 0.62083912500375 0.13013064006858 0.33201236267517 32.065 > 69 70 S 0.62083912500375 0.63013064006858 0.33201236267517 32.065 > 69 71 S 0.87916087499625 0.11986935993142 0.83201236267517 32.065 > 71 72 S 0.87916087499625 0.61986935993142 0.83201236267517 32.065 > 71 73 S 0.12083912500375 0.11986935993142 0.66798763732483 32.065 > 73 74 S 0.12083912500375 0.61986935993142 0.66798763732483 32.065 > 73 75 S 0.86516373648431 0.14541110889494 0.16099833386833 32.065 > 75 76 S 0.86516373648431 0.64541110889494 0.16099833386833 32.065 > 75 77 S 0.13483626351569 0.14541110889494 0.33900166613167 32.065 > 77 78 S 0.13483626351569 0.64541110889494 0.33900166613167 32.065 > 77 79 S 0.36516373648431 0.10458889110506 0.83900166613167 32.065 > 79 80 S 0.36516373648431 0.60458889110506 0.83900166613167 32.065 > 79 81 S 0.63483626351569 0.10458889110506 0.66099833386833 32.065 > 81 82 S 0.63483626351569 0.60458889110506 0.66099833386833 32.065 > 81 83 S 0.13483626351569 0.35458889110506 0.83900166613167 32.065 > 83 84 S 0.13483626351569 0.85458889110506 0.83900166613167 32.065 > 83 85 S 0.86516373648431 0.35458889110506 0.66099833386833 32.065 > 85 86 S 0.86516373648431 0.85458889110506 0.66099833386833 32.065 > 85 87 S 0.63483626351569 0.39541110889494 0.16099833386833 32.065 > 87 88 S 0.63483626351569 0.89541110889494 0.16099833386833 32.065 > 87 89 S 0.36516373648431 0.39541110889494 0.33900166613167 32.065 > 89 90 S 0.36516373648431 0.89541110889494 0.33900166613167 32.065 > 89 91 S 0.64352404047336 0.12487838119815 0.99749854712371 32.065 > 91 92 S 0.64352404047336 0.62487838119815 0.99749854712371 32.065 > 91 93 S 0.14352404047336 0.12512161880185 0.00250145287628 32.065 > 93 94 S 0.14352404047336 0.62512161880185 0.00250145287628 32.065 > 93 95 S 0.85647595952664 0.12512161880185 0.49749854712371 32.065 > 95 96 S 0.85647595952664 0.62512161880185 0.49749854712371 32.065 > 95 97 S 0.14352404047336 0.37487838119815 0.50250145287629 32.065 > 97 98 S 0.14352404047336 0.87487838119815 0.50250145287629 32.065 > 97 99 S 0.85647595952664 0.37487838119815 0.99749854712371 32.065 > 99 100 S 0.85647595952664 0.87487838119815 0.99749854712371 32.065 > 99 101 S 0.35647595952664 0.37512161880185 0.00250145287628 32.065 > 101 102 S 0.35647595952664 0.87512161880185 0.00250145287628 32.065 > 101 103 S 0.64352404047336 0.37512161880185 0.49749854712371 32.065 > 103 104 S 0.64352404047336 0.87512161880185 0.49749854712371 32.065 > 103 105 Au 0.75985760302275 0.38843272561179 0.24587890990836 196.967 > 105 106 Au 0.75985760302275 0.88843272561179 0.24587890990836 196.967 > 105 107 Au 0.24014239697725 0.38843272561179 0.25412109009164 196.967 > 107 108 Au 0.24014239697725 0.88843272561179 0.25412109009164 196.967 > 107 109 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 109 110 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 109 111 Au 0.25985760302275 0.36156727438821 0.75412109009164 196.967 > 111 112 Au 0.25985760302275 0.86156727438821 0.75412109009164 196.967 > 111 113 Au 0.74014239697725 0.36156727438821 0.74587890990836 196.967 > 113 114 Au 0.74014239697725 0.86156727438821 0.74587890990836 196.967 > 113 115 Au 0.24014239697725 0.11156727438821 0.75412109009164 196.967 > 115 116 Au 0.24014239697725 0.61156727438821 0.75412109009164 196.967 > 115 117 Au 0.75985760302275 0.11156727438821 0.74587890990836 196.967 > 117 118 Au 0.75985760302275 0.61156727438821 0.74587890990836 196.967 > 117 119 Au 0.74014239697725 0.13843272561179 0.24587890990836 196.967 > 119 120 Au 0.74014239697725 0.63843272561179 0.24587890990836 196.967 > 119 121 Au 0.25985760302275 0.13843272561179 0.25412109009164 196.967 > 121 122 Au 0.25985760302275 0.63843272561179 0.25412109009164 196.967 > 121 123 Au 0.99540125252461 0.01482170453148 0.17194812481329 196.967 > 123 124 Au 0.99540125252461 0.51482170453148 0.17194812481329 196.967 > 123 125 Au 0.00459874747539 0.01482170453148 0.32805187518672 196.967 > 125 126 Au 0.00459874747539 0.51482170453148 0.32805187518672 196.967 > 125 127 Au 0.49540125252461 0.23517829546852 0.82805187518671 196.967 > 127 128 Au 0.49540125252461 0.73517829546852 0.82805187518671 196.967 > 127 129 Au 0.50459874747539 0.23517829546852 0.67194812481329 196.967 > 129 130 Au 0.50459874747539 0.73517829546852 0.67194812481329 196.967 > 129 131 Au 0.00459874747539 0.48517829546852 0.82805187518671 196.967 > 131 132 Au 0.00459874747539 0.98517829546852 0.82805187518671 196.967 > 131 133 Au 0.99540125252461 0.48517829546852 0.67194812481329 196.967 > 133 134 Au 0.99540125252461 0.98517829546852 0.67194812481329 196.967 > 133 135 Au 0.50459874747539 0.26482170453148 0.17194812481329 196.967 > 135 136 Au 0.50459874747539 0.76482170453148 0.17194812481329 196.967 > 135 137 Au 0.49540125252461 0.26482170453148 0.32805187518672 196.967 > 137 138 Au 0.49540125252461 0.76482170453148 0.32805187518672 196.967 > 137 139 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 139 140 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 139 141 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 141 142 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 141 143 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 143 144 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5416178 0.0000000 0.0000000 0.0000000 5.3190325 0.0000000 0.0000000 0.0000000 4.4580904 -------------------------- Born effective charges -------------------------- 1 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 2 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 3 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 4 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 5 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 6 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 7 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 8 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 9 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 10 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 11 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 12 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 13 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 14 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 15 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 16 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 17 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 18 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 19 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 20 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 21 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 22 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 23 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 24 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 25 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 26 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 27 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 28 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 29 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 30 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 31 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 32 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 33 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 34 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 35 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 36 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 37 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 38 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 39 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 40 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 41 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 42 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 43 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 44 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 45 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 46 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 47 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 48 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 49 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 50 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 51 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 52 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 53 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 54 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 55 Au 0.2410075 1.0431726 0.0263205 0.9010012 0.4552353 0.0809974 0.0038624 0.0495706 -0.7252439 56 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 57 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 58 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 59 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 60 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 61 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 62 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 63 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 64 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 65 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 66 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 67 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 68 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 69 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 70 Au 0.2410075 1.0431726 -0.0263205 0.9010012 0.4552353 -0.0809974 -0.0038624 -0.0495706 -0.7252439 71 Au 0.2410075 -1.0431726 -0.0263205 -0.9010012 0.4552353 0.0809974 -0.0038624 0.0495706 -0.7252439 72 Au 0.2410075 -1.0431726 0.0263205 -0.9010012 0.4552353 -0.0809974 0.0038624 -0.0495706 -0.7252439 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, 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[ 75, 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[ 105, 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[ 109, 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[ 123, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:38:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:38:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.004521859999999 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): 1 Na 0.50000000000000 0.99551684170268 0.25000000000000 22.990 2 Na 0.00000000000000 0.50448315829732 0.75000000000000 22.990 3 Na 0.50000000000000 0.00448315829732 0.75000000000000 22.990 4 Na 0.00000000000000 0.49551684170268 0.25000000000000 22.990 5 Na 0.24154247092242 0.49446255583761 0.59198669994959 22.990 6 Na 0.75845752907758 0.49446255583761 0.90801330005041 22.990 7 Na 0.74154247092242 0.00553744416239 0.40801330005041 22.990 8 Na 0.25845752907758 0.00553744416239 0.09198669994959 22.990 9 Na 0.75845752907758 0.50553744416239 0.40801330005041 22.990 10 Na 0.24154247092242 0.50553744416239 0.09198669994959 22.990 11 Na 0.25845752907758 0.99446255583761 0.59198669994959 22.990 12 Na 0.74154247092242 0.99446255583761 0.90801330005041 22.990 13 Na 0.12111493562936 0.66372477973649 0.38015688588057 22.990 14 Na 0.87888506437064 0.66372477973649 0.11984311411943 22.990 15 Na 0.62111493562936 0.83627522026351 0.61984311411943 22.990 16 Na 0.37888506437064 0.83627522026351 0.88015688588057 22.990 17 Na 0.87888506437064 0.33627522026351 0.61984311411943 22.990 18 Na 0.12111493562936 0.33627522026351 0.88015688588057 22.990 19 Na 0.37888506437064 0.16372477973649 0.38015688588057 22.990 20 Na 0.62111493562936 0.16372477973649 0.11984311411943 22.990 21 Na 0.89163644759967 0.87511885459456 0.54323953894062 22.990 22 Na 0.10836355240033 0.87511885459456 0.95676046105938 22.990 23 Na 0.39163644759967 0.62488114540544 0.45676046105938 22.990 24 Na 0.60836355240033 0.62488114540544 0.04323953894062 22.990 25 Na 0.10836355240033 0.12488114540544 0.45676046105938 22.990 26 Na 0.89163644759967 0.12488114540544 0.04323953894062 22.990 27 Na 0.60836355240033 0.37511885459456 0.54323953894062 22.990 28 Na 0.39163644759967 0.37511885459456 0.95676046105938 22.990 29 S 0.35647595952664 0.24975676239631 0.50250145287629 32.065 30 S 0.62083912500375 0.73973871986284 0.83201236267517 32.065 31 S 0.37916087499625 0.73973871986284 0.66798763732483 32.065 32 S 0.12083912500375 0.76026128013716 0.16798763732482 32.065 33 S 0.87916087499625 0.76026128013716 0.33201236267517 32.065 34 S 0.37916087499625 0.26026128013716 0.16798763732482 32.065 35 S 0.62083912500375 0.26026128013716 0.33201236267517 32.065 36 S 0.87916087499625 0.23973871986284 0.83201236267517 32.065 37 S 0.12083912500375 0.23973871986284 0.66798763732483 32.065 38 S 0.86516373648431 0.29082221778987 0.16099833386833 32.065 39 S 0.13483626351569 0.29082221778987 0.33900166613167 32.065 40 S 0.36516373648431 0.20917778221013 0.83900166613167 32.065 41 S 0.63483626351569 0.20917778221013 0.66099833386833 32.065 42 S 0.13483626351569 0.70917778221012 0.83900166613167 32.065 43 S 0.86516373648431 0.70917778221012 0.66099833386833 32.065 44 S 0.63483626351569 0.79082221778988 0.16099833386833 32.065 45 S 0.36516373648431 0.79082221778988 0.33900166613167 32.065 46 S 0.64352404047336 0.24975676239631 0.99749854712371 32.065 47 S 0.14352404047336 0.25024323760369 0.00250145287628 32.065 48 S 0.85647595952664 0.25024323760369 0.49749854712371 32.065 49 S 0.14352404047336 0.74975676239631 0.50250145287629 32.065 50 S 0.85647595952664 0.74975676239631 0.99749854712371 32.065 51 S 0.35647595952664 0.75024323760369 0.00250145287628 32.065 52 S 0.64352404047336 0.75024323760369 0.49749854712371 32.065 53 Au 0.75985760302275 0.77686545122358 0.24587890990836 196.967 54 Au 0.24014239697725 0.77686545122358 0.25412109009164 196.967 55 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 56 Au 0.25985760302275 0.72313454877642 0.75412109009164 196.967 57 Au 0.74014239697725 0.72313454877642 0.74587890990836 196.967 58 Au 0.24014239697725 0.22313454877642 0.75412109009164 196.967 59 Au 0.75985760302275 0.22313454877642 0.74587890990836 196.967 60 Au 0.74014239697725 0.27686545122358 0.24587890990836 196.967 61 Au 0.25985760302275 0.27686545122358 0.25412109009164 196.967 62 Au 0.99540125252461 0.02964340906296 0.17194812481329 196.967 63 Au 0.00459874747539 0.02964340906296 0.32805187518672 196.967 64 Au 0.49540125252461 0.47035659093704 0.82805187518671 196.967 65 Au 0.50459874747539 0.47035659093704 0.67194812481329 196.967 66 Au 0.00459874747539 0.97035659093704 0.82805187518671 196.967 67 Au 0.99540125252461 0.97035659093704 0.67194812481329 196.967 68 Au 0.50459874747539 0.52964340906296 0.17194812481329 196.967 69 Au 0.49540125252461 0.52964340906296 0.32805187518672 196.967 70 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 71 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 72 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.411970619999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009043719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.280298619999996 Atomic positions (fractional): 1 Na 0.50000000000000 0.49775842085134 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.99775842085134 0.25000000000000 22.990 > 1 3 Na 0.00000000000000 0.25224157914866 0.75000000000000 22.990 > 3 4 Na 0.00000000000000 0.75224157914866 0.75000000000000 22.990 > 3 5 Na 0.50000000000000 0.00224157914866 0.75000000000000 22.990 > 5 6 Na 0.50000000000000 0.50224157914866 0.75000000000000 22.990 > 5 7 Na 0.00000000000000 0.24775842085134 0.25000000000000 22.990 > 7 8 Na 0.00000000000000 0.74775842085134 0.25000000000000 22.990 > 7 9 Na 0.24154247092242 0.24723127791881 0.59198669994959 22.990 > 9 10 Na 0.24154247092242 0.74723127791881 0.59198669994959 22.990 > 9 11 Na 0.75845752907758 0.24723127791881 0.90801330005041 22.990 > 11 12 Na 0.75845752907758 0.74723127791881 0.90801330005041 22.990 > 11 13 Na 0.74154247092242 0.00276872208119 0.40801330005041 22.990 > 13 14 Na 0.74154247092242 0.50276872208119 0.40801330005041 22.990 > 13 15 Na 0.25845752907758 0.00276872208119 0.09198669994959 22.990 > 15 16 Na 0.25845752907758 0.50276872208119 0.09198669994959 22.990 > 15 17 Na 0.75845752907758 0.25276872208119 0.40801330005041 22.990 > 17 18 Na 0.75845752907758 0.75276872208119 0.40801330005041 22.990 > 17 19 Na 0.24154247092242 0.25276872208119 0.09198669994959 22.990 > 19 20 Na 0.24154247092242 0.75276872208119 0.09198669994959 22.990 > 19 21 Na 0.25845752907758 0.49723127791881 0.59198669994959 22.990 > 21 22 Na 0.25845752907758 0.99723127791881 0.59198669994959 22.990 > 21 23 Na 0.74154247092242 0.49723127791881 0.90801330005041 22.990 > 23 24 Na 0.74154247092242 0.99723127791881 0.90801330005041 22.990 > 23 25 Na 0.12111493562936 0.33186238986825 0.38015688588057 22.990 > 25 26 Na 0.12111493562936 0.83186238986825 0.38015688588057 22.990 > 25 27 Na 0.87888506437064 0.33186238986825 0.11984311411943 22.990 > 27 28 Na 0.87888506437064 0.83186238986825 0.11984311411943 22.990 > 27 29 Na 0.62111493562936 0.41813761013175 0.61984311411943 22.990 > 29 30 Na 0.62111493562936 0.91813761013175 0.61984311411943 22.990 > 29 31 Na 0.37888506437064 0.41813761013175 0.88015688588057 22.990 > 31 32 Na 0.37888506437064 0.91813761013175 0.88015688588057 22.990 > 31 33 Na 0.87888506437064 0.16813761013175 0.61984311411943 22.990 > 33 34 Na 0.87888506437064 0.66813761013175 0.61984311411943 22.990 > 33 35 Na 0.12111493562936 0.16813761013175 0.88015688588057 22.990 > 35 36 Na 0.12111493562936 0.66813761013175 0.88015688588057 22.990 > 35 37 Na 0.37888506437064 0.08186238986824 0.38015688588057 22.990 > 37 38 Na 0.37888506437064 0.58186238986825 0.38015688588057 22.990 > 37 39 Na 0.62111493562936 0.08186238986824 0.11984311411943 22.990 > 39 40 Na 0.62111493562936 0.58186238986825 0.11984311411943 22.990 > 39 41 Na 0.89163644759967 0.43755942729728 0.54323953894062 22.990 > 41 42 Na 0.89163644759967 0.93755942729728 0.54323953894062 22.990 > 41 43 Na 0.10836355240033 0.43755942729728 0.95676046105938 22.990 > 43 44 Na 0.10836355240033 0.93755942729728 0.95676046105938 22.990 > 43 45 Na 0.39163644759967 0.31244057270272 0.45676046105938 22.990 > 45 46 Na 0.39163644759967 0.81244057270272 0.45676046105938 22.990 > 45 47 Na 0.60836355240033 0.31244057270272 0.04323953894062 22.990 > 47 48 Na 0.60836355240033 0.81244057270272 0.04323953894062 22.990 > 47 49 Na 0.10836355240033 0.06244057270272 0.45676046105938 22.990 > 49 50 Na 0.10836355240033 0.56244057270272 0.45676046105938 22.990 > 49 51 Na 0.89163644759967 0.06244057270272 0.04323953894062 22.990 > 51 52 Na 0.89163644759967 0.56244057270272 0.04323953894062 22.990 > 51 53 Na 0.60836355240033 0.18755942729728 0.54323953894062 22.990 > 53 54 Na 0.60836355240033 0.68755942729728 0.54323953894062 22.990 > 53 55 Na 0.39163644759967 0.18755942729728 0.95676046105938 22.990 > 55 56 Na 0.39163644759967 0.68755942729728 0.95676046105938 22.990 > 55 57 S 0.35647595952664 0.12487838119815 0.50250145287629 32.065 > 57 58 S 0.35647595952664 0.62487838119815 0.50250145287629 32.065 > 57 59 S 0.62083912500375 0.36986935993142 0.83201236267517 32.065 > 59 60 S 0.62083912500375 0.86986935993142 0.83201236267517 32.065 > 59 61 S 0.37916087499625 0.36986935993142 0.66798763732483 32.065 > 61 62 S 0.37916087499625 0.86986935993142 0.66798763732483 32.065 > 61 63 S 0.12083912500375 0.38013064006858 0.16798763732482 32.065 > 63 64 S 0.12083912500375 0.88013064006858 0.16798763732482 32.065 > 63 65 S 0.87916087499625 0.38013064006858 0.33201236267517 32.065 > 65 66 S 0.87916087499625 0.88013064006858 0.33201236267517 32.065 > 65 67 S 0.37916087499625 0.13013064006858 0.16798763732482 32.065 > 67 68 S 0.37916087499625 0.63013064006858 0.16798763732482 32.065 > 67 69 S 0.62083912500375 0.13013064006858 0.33201236267517 32.065 > 69 70 S 0.62083912500375 0.63013064006858 0.33201236267517 32.065 > 69 71 S 0.87916087499625 0.11986935993142 0.83201236267517 32.065 > 71 72 S 0.87916087499625 0.61986935993142 0.83201236267517 32.065 > 71 73 S 0.12083912500375 0.11986935993142 0.66798763732483 32.065 > 73 74 S 0.12083912500375 0.61986935993142 0.66798763732483 32.065 > 73 75 S 0.86516373648431 0.14541110889494 0.16099833386833 32.065 > 75 76 S 0.86516373648431 0.64541110889494 0.16099833386833 32.065 > 75 77 S 0.13483626351569 0.14541110889494 0.33900166613167 32.065 > 77 78 S 0.13483626351569 0.64541110889494 0.33900166613167 32.065 > 77 79 S 0.36516373648431 0.10458889110506 0.83900166613167 32.065 > 79 80 S 0.36516373648431 0.60458889110506 0.83900166613167 32.065 > 79 81 S 0.63483626351569 0.10458889110506 0.66099833386833 32.065 > 81 82 S 0.63483626351569 0.60458889110506 0.66099833386833 32.065 > 81 83 S 0.13483626351569 0.35458889110506 0.83900166613167 32.065 > 83 84 S 0.13483626351569 0.85458889110506 0.83900166613167 32.065 > 83 85 S 0.86516373648431 0.35458889110506 0.66099833386833 32.065 > 85 86 S 0.86516373648431 0.85458889110506 0.66099833386833 32.065 > 85 87 S 0.63483626351569 0.39541110889494 0.16099833386833 32.065 > 87 88 S 0.63483626351569 0.89541110889494 0.16099833386833 32.065 > 87 89 S 0.36516373648431 0.39541110889494 0.33900166613167 32.065 > 89 90 S 0.36516373648431 0.89541110889494 0.33900166613167 32.065 > 89 91 S 0.64352404047336 0.12487838119815 0.99749854712371 32.065 > 91 92 S 0.64352404047336 0.62487838119815 0.99749854712371 32.065 > 91 93 S 0.14352404047336 0.12512161880185 0.00250145287628 32.065 > 93 94 S 0.14352404047336 0.62512161880185 0.00250145287628 32.065 > 93 95 S 0.85647595952664 0.12512161880185 0.49749854712371 32.065 > 95 96 S 0.85647595952664 0.62512161880185 0.49749854712371 32.065 > 95 97 S 0.14352404047336 0.37487838119815 0.50250145287629 32.065 > 97 98 S 0.14352404047336 0.87487838119815 0.50250145287629 32.065 > 97 99 S 0.85647595952664 0.37487838119815 0.99749854712371 32.065 > 99 100 S 0.85647595952664 0.87487838119815 0.99749854712371 32.065 > 99 101 S 0.35647595952664 0.37512161880185 0.00250145287628 32.065 > 101 102 S 0.35647595952664 0.87512161880185 0.00250145287628 32.065 > 101 103 S 0.64352404047336 0.37512161880185 0.49749854712371 32.065 > 103 104 S 0.64352404047336 0.87512161880185 0.49749854712371 32.065 > 103 105 Au 0.75985760302275 0.38843272561179 0.24587890990836 196.967 > 105 106 Au 0.75985760302275 0.88843272561179 0.24587890990836 196.967 > 105 107 Au 0.24014239697725 0.38843272561179 0.25412109009164 196.967 > 107 108 Au 0.24014239697725 0.88843272561179 0.25412109009164 196.967 > 107 109 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 109 110 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 109 111 Au 0.25985760302275 0.36156727438821 0.75412109009164 196.967 > 111 112 Au 0.25985760302275 0.86156727438821 0.75412109009164 196.967 > 111 113 Au 0.74014239697725 0.36156727438821 0.74587890990836 196.967 > 113 114 Au 0.74014239697725 0.86156727438821 0.74587890990836 196.967 > 113 115 Au 0.24014239697725 0.11156727438821 0.75412109009164 196.967 > 115 116 Au 0.24014239697725 0.61156727438821 0.75412109009164 196.967 > 115 117 Au 0.75985760302275 0.11156727438821 0.74587890990836 196.967 > 117 118 Au 0.75985760302275 0.61156727438821 0.74587890990836 196.967 > 117 119 Au 0.74014239697725 0.13843272561179 0.24587890990836 196.967 > 119 120 Au 0.74014239697725 0.63843272561179 0.24587890990836 196.967 > 119 121 Au 0.25985760302275 0.13843272561179 0.25412109009164 196.967 > 121 122 Au 0.25985760302275 0.63843272561179 0.25412109009164 196.967 > 121 123 Au 0.99540125252461 0.01482170453148 0.17194812481329 196.967 > 123 124 Au 0.99540125252461 0.51482170453148 0.17194812481329 196.967 > 123 125 Au 0.00459874747539 0.01482170453148 0.32805187518672 196.967 > 125 126 Au 0.00459874747539 0.51482170453148 0.32805187518672 196.967 > 125 127 Au 0.49540125252461 0.23517829546852 0.82805187518671 196.967 > 127 128 Au 0.49540125252461 0.73517829546852 0.82805187518671 196.967 > 127 129 Au 0.50459874747539 0.23517829546852 0.67194812481329 196.967 > 129 130 Au 0.50459874747539 0.73517829546852 0.67194812481329 196.967 > 129 131 Au 0.00459874747539 0.48517829546852 0.82805187518671 196.967 > 131 132 Au 0.00459874747539 0.98517829546852 0.82805187518671 196.967 > 131 133 Au 0.99540125252461 0.48517829546852 0.67194812481329 196.967 > 133 134 Au 0.99540125252461 0.98517829546852 0.67194812481329 196.967 > 133 135 Au 0.50459874747539 0.26482170453148 0.17194812481329 196.967 > 135 136 Au 0.50459874747539 0.76482170453148 0.17194812481329 196.967 > 135 137 Au 0.49540125252461 0.26482170453148 0.32805187518672 196.967 > 137 138 Au 0.49540125252461 0.76482170453148 0.32805187518672 196.967 > 137 139 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 139 140 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 139 141 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 141 142 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 141 143 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 143 144 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5416178 0.0000000 0.0000000 0.0000000 5.3190325 0.0000000 0.0000000 0.0000000 4.4580904 -------------------------- Born effective charges -------------------------- 1 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 2 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 3 Na 1.2842664 0.0000000 -0.0697559 0.0000000 1.3564940 -0.0000000 -0.0378714 0.0000000 0.5536549 4 Na 1.2842664 0.0000000 0.0697559 0.0000000 1.3564940 -0.0000000 0.0378714 0.0000000 0.5536549 5 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 6 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 7 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 8 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 9 Na 1.1691506 -0.1272275 0.0732302 -0.0247727 1.0399579 0.0333020 0.1516712 -0.0152541 1.4366816 10 Na 1.1691506 0.1272275 0.0732302 0.0247727 1.0399579 -0.0333020 0.1516712 0.0152541 1.4366816 11 Na 1.1691506 0.1272275 -0.0732302 0.0247727 1.0399579 0.0333020 -0.1516712 -0.0152541 1.4366816 12 Na 1.1691506 -0.1272275 -0.0732302 -0.0247727 1.0399579 -0.0333020 -0.1516712 0.0152541 1.4366816 13 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 14 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 15 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 16 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 17 Na 1.0131368 -0.0560629 -0.1322782 -0.1954024 1.0958603 -0.1740449 -0.0469674 -0.1091833 1.2689582 18 Na 1.0131368 0.0560629 -0.1322782 0.1954024 1.0958603 0.1740449 -0.0469674 0.1091833 1.2689582 19 Na 1.0131368 0.0560629 0.1322782 0.1954024 1.0958603 -0.1740449 0.0469674 -0.1091833 1.2689582 20 Na 1.0131368 -0.0560629 0.1322782 -0.1954024 1.0958603 0.1740449 0.0469674 0.1091833 1.2689582 21 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 22 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 23 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 24 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 25 Na 1.0726557 0.0839263 0.0149745 -0.3053247 1.1995072 -0.0152955 0.0375866 0.0151384 1.3403163 26 Na 1.0726557 -0.0839263 0.0149745 0.3053247 1.1995072 0.0152955 0.0375866 -0.0151384 1.3403163 27 Na 1.0726557 -0.0839263 -0.0149745 0.3053247 1.1995072 -0.0152955 -0.0375866 0.0151384 1.3403163 28 Na 1.0726557 0.0839263 -0.0149745 -0.3053247 1.1995072 0.0152955 -0.0375866 -0.0151384 1.3403163 29 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 30 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 31 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 32 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 33 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 34 S -1.4062347 -0.3206460 0.2309045 -0.2031769 -1.2790625 0.0430960 0.0998198 -0.1648227 -1.1502127 35 S -1.4062347 0.3206460 0.2309045 0.2031769 -1.2790625 -0.0430960 0.0998198 0.1648227 -1.1502127 36 S -1.4062347 0.3206460 -0.2309045 0.2031769 -1.2790625 0.0430960 -0.0998198 -0.1648227 -1.1502127 37 S -1.4062347 -0.3206460 -0.2309045 -0.2031769 -1.2790625 -0.0430960 -0.0998198 0.1648227 -1.1502127 38 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 39 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 40 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 41 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 42 S -1.2814636 0.3090926 0.2867495 0.2038743 -1.3810977 -0.0937760 0.0606541 0.1419440 -1.1619443 43 S -1.2814636 -0.3090926 0.2867495 -0.2038743 -1.3810977 0.0937760 0.0606541 -0.1419440 -1.1619443 44 S -1.2814636 -0.3090926 -0.2867495 -0.2038743 -1.3810977 -0.0937760 -0.0606541 0.1419440 -1.1619443 45 S -1.2814636 0.3090926 -0.2867495 0.2038743 -1.3810977 0.0937760 -0.0606541 -0.1419440 -1.1619443 46 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 47 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 48 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 49 S -1.7410862 -0.4505361 -0.0235373 -0.2070321 -1.9070971 -0.0363597 0.0066175 -0.0343639 -1.5935833 50 S -1.7410862 0.4505361 -0.0235373 0.2070321 -1.9070971 0.0363597 0.0066175 0.0343639 -1.5935833 51 S -1.7410862 -0.4505361 0.0235373 -0.2070321 -1.9070971 0.0363597 -0.0066175 0.0343639 -1.5935833 52 S -1.7410862 0.4505361 0.0235373 0.2070321 -1.9070971 -0.0363597 -0.0066175 -0.0343639 -1.5935833 53 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 54 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 55 Au 0.2410075 1.0431726 0.0263205 0.9010012 0.4552353 0.0809974 0.0038624 0.0495706 -0.7252439 56 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 57 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 58 Au 0.1068144 0.0846302 0.8240636 0.2388725 -0.2378457 0.1264523 0.5716081 0.0123835 0.4202038 59 Au 0.1068144 -0.0846302 0.8240636 -0.2388725 -0.2378457 -0.1264523 0.5716081 -0.0123835 0.4202038 60 Au 0.1068144 -0.0846302 -0.8240636 -0.2388725 -0.2378457 0.1264523 -0.5716081 0.0123835 0.4202038 61 Au 0.1068144 0.0846302 -0.8240636 0.2388725 -0.2378457 -0.1264523 -0.5716081 -0.0123835 0.4202038 62 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 63 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 64 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 65 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 66 Au 0.3043900 -0.8790994 0.0062447 -0.6674608 0.5639128 -0.1029965 0.0018308 -0.0971268 -0.4746251 67 Au 0.3043900 0.8790994 0.0062447 0.6674608 0.5639128 0.1029965 0.0018308 0.0971268 -0.4746251 68 Au 0.3043900 0.8790994 -0.0062447 0.6674608 0.5639128 -0.1029965 -0.0018308 -0.0971268 -0.4746251 69 Au 0.3043900 -0.8790994 -0.0062447 -0.6674608 0.5639128 0.1029965 -0.0018308 0.0971268 -0.4746251 70 Au 0.2410075 1.0431726 -0.0263205 0.9010012 0.4552353 -0.0809974 -0.0038624 -0.0495706 -0.7252439 71 Au 0.2410075 -1.0431726 -0.0263205 -0.9010012 0.4552353 0.0809974 -0.0038624 0.0495706 -0.7252439 72 Au 0.2410075 -1.0431726 0.0263205 -0.9010012 0.4552353 -0.0809974 0.0038624 -0.0495706 -0.7252439 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 2 ] 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: 0.35, Number of G-points: 309, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.380 ( 0.000 0.000 0.000) 0.000 0.499 ( 0.000 0.000 0.000) 0.000 0.504 ( 0.000 0.000 0.000) 0.000 0.573 ( 0.000 0.000 0.000) 0.000 0.587 ( 0.000 0.000 0.000) 0.000 0.609 ( 0.000 0.000 0.000) 0.000 0.700 ( 0.000 0.000 0.000) 0.000 0.710 ( 0.000 0.000 0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.956 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.041 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.113 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.555 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.926 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 13.059 0.000 0.000) 13.059 0.279 ( 14.133 0.000 0.000) 14.133 0.363 ( 4.072 0.000 0.000) 4.072 0.488 ( -1.221 0.000 0.000) 1.221 0.489 ( 17.857 0.000 0.000) 17.857 0.568 ( 6.149 0.000 0.000) 6.149 0.581 ( 1.083 0.000 0.000) 1.083 0.583 ( -0.409 0.000 0.000) 0.409 0.655 ( 5.534 0.000 0.000) 5.534 0.657 ( -3.752 0.000 0.000) 3.752 0.737 ( 2.254 0.000 0.000) 2.254 0.833 ( -5.952 0.000 0.000) 5.952 0.883 ( -5.688 0.000 0.000) 5.688 0.911 ( -2.114 0.000 0.000) 2.114 0.941 ( -0.340 0.000 0.000) 0.340 0.977 ( -8.262 0.000 0.000) 8.262 0.982 ( -0.703 0.000 0.000) 0.703 1.005 ( -3.527 0.000 0.000) 3.527 1.008 ( 0.248 0.000 0.000) 0.248 1.041 ( 4.411 0.000 0.000) 4.411 1.051 ( -2.908 0.000 0.000) 2.908 1.055 ( -5.083 0.000 0.000) 5.083 1.067 ( 2.504 0.000 0.000) 2.504 1.084 ( -4.815 0.000 0.000) 4.815 1.124 ( 9.101 0.000 0.000) 9.101 1.185 ( 6.772 0.000 0.000) 6.772 1.195 ( 4.164 0.000 0.000) 4.164 1.228 ( 6.787 0.000 0.000) 6.787 1.294 ( -2.264 0.000 0.000) 2.264 1.318 ( 8.398 0.000 0.000) 8.398 1.437 ( -2.206 0.000 0.000) 2.206 1.451 ( -0.289 0.000 0.000) 0.289 1.477 ( 1.193 0.000 0.000) 1.193 1.501 ( 0.208 0.000 0.000) 0.208 1.517 ( -0.560 0.000 0.000) 0.560 1.532 ( 5.146 0.000 0.000) 5.146 1.545 ( 2.139 0.000 0.000) 2.139 1.552 ( 7.149 0.000 0.000) 7.149 1.597 ( 1.489 0.000 0.000) 1.489 1.625 ( 5.629 0.000 0.000) 5.629 1.635 ( 2.726 0.000 0.000) 2.726 1.644 ( -3.837 0.000 0.000) 3.837 1.651 ( 0.355 0.000 0.000) 0.355 1.664 ( -2.328 0.000 0.000) 2.328 1.695 ( 1.622 0.000 0.000) 1.622 1.705 ( -2.487 0.000 0.000) 2.487 1.719 ( 0.044 0.000 0.000) 0.044 1.730 ( -0.257 0.000 0.000) 0.257 1.751 ( 0.263 0.000 0.000) 0.263 1.752 ( -0.375 0.000 0.000) 0.375 1.786 ( -1.412 0.000 0.000) 1.412 1.787 ( -1.265 0.000 0.000) 1.265 2.253 ( -6.792 0.000 0.000) 6.792 2.297 ( -4.030 0.000 0.000) 4.030 2.308 ( -1.946 0.000 0.000) 1.946 2.333 ( 0.515 0.000 0.000) 0.515 2.335 ( -2.451 0.000 0.000) 2.451 2.363 ( -2.712 0.000 0.000) 2.712 2.365 ( -3.854 0.000 0.000) 3.854 2.481 ( -5.834 0.000 0.000) 5.834 2.574 ( 3.515 0.000 0.000) 3.515 2.633 ( -1.097 0.000 0.000) 1.097 2.689 ( -0.805 0.000 0.000) 0.805 2.691 ( 0.703 0.000 0.000) 0.703 2.849 ( 1.691 0.000 0.000) 1.691 2.891 ( 2.227 0.000 0.000) 2.227 2.909 ( 2.044 0.000 0.000) 2.044 2.920 ( -0.404 0.000 0.000) 0.404 2.973 ( -8.213 0.000 0.000) 8.213 3.106 ( 2.574 0.000 0.000) 2.574 3.153 ( -4.935 0.000 0.000) 4.935 3.166 ( -0.122 0.000 0.000) 0.122 3.274 ( 1.048 0.000 0.000) 1.048 3.287 ( 1.984 0.000 0.000) 1.984 3.295 ( -2.122 0.000 0.000) 2.122 3.365 ( -2.144 0.000 0.000) 2.144 3.409 ( 5.223 0.000 0.000) 5.223 3.413 ( 0.970 0.000 0.000) 0.970 3.458 ( 3.048 0.000 0.000) 3.048 3.472 ( -1.264 0.000 0.000) 1.264 3.511 ( -1.504 0.000 0.000) 1.504 3.512 ( 2.980 0.000 0.000) 2.980 3.533 ( -1.622 0.000 0.000) 1.622 3.548 ( -0.463 0.000 0.000) 0.463 3.582 ( -3.535 0.000 0.000) 3.535 3.588 ( 0.827 0.000 0.000) 0.827 3.632 ( 0.104 0.000 0.000) 0.104 3.728 ( 0.284 0.000 0.000) 0.284 3.760 ( -5.370 0.000 0.000) 5.370 3.769 ( 0.418 0.000 0.000) 0.418 3.772 ( -5.157 0.000 0.000) 5.157 3.839 ( -0.108 0.000 0.000) 0.108 3.862 ( 0.298 0.000 0.000) 0.298 3.936 ( 2.727 0.000 0.000) 2.727 3.983 ( 2.930 0.000 0.000) 2.930 4.008 ( 1.973 0.000 0.000) 1.973 4.011 ( -0.607 0.000 0.000) 0.607 4.103 ( -0.082 0.000 0.000) 0.082 4.106 ( -1.413 0.000 0.000) 1.413 4.137 ( -2.796 0.000 0.000) 2.796 4.143 ( -2.902 0.000 0.000) 2.902 4.168 ( -1.428 0.000 0.000) 1.428 4.185 ( -2.135 0.000 0.000) 2.135 4.213 ( -2.170 0.000 0.000) 2.170 4.248 ( 4.824 0.000 0.000) 4.824 4.261 ( 4.233 0.000 0.000) 4.233 4.336 ( 3.127 0.000 0.000) 3.127 4.363 ( -0.527 0.000 0.000) 0.527 4.395 ( 6.755 0.000 0.000) 6.755 4.411 ( 2.922 0.000 0.000) 2.922 4.420 ( -4.050 0.000 0.000) 4.050 4.437 ( 0.682 0.000 0.000) 0.682 4.437 ( 1.288 0.000 0.000) 1.288 4.481 ( 0.026 0.000 0.000) 0.026 4.570 ( -4.261 0.000 0.000) 4.261 4.575 ( 0.481 0.000 0.000) 0.481 4.592 ( -1.150 0.000 0.000) 1.150 4.634 ( -1.812 0.000 0.000) 1.812 4.648 ( -5.010 0.000 0.000) 5.010 4.655 ( -1.040 0.000 0.000) 1.040 4.694 ( 3.032 0.000 0.000) 3.032 4.743 ( 0.990 0.000 0.000) 0.990 4.747 ( 2.369 0.000 0.000) 2.369 4.794 ( 0.363 0.000 0.000) 0.363 4.799 ( 0.448 0.000 0.000) 0.448 4.842 ( 2.482 0.000 0.000) 2.482 4.864 ( 9.285 0.000 0.000) 9.285 4.872 ( -9.861 0.000 0.000) 9.861 4.955 ( 4.841 0.000 0.000) 4.841 5.015 ( 10.396 0.000 0.000) 10.396 5.017 ( -0.853 0.000 0.000) 0.853 5.058 ( 7.264 0.000 0.000) 7.264 5.131 ( -1.932 0.000 0.000) 1.932 5.174 ( -0.367 0.000 0.000) 0.367 5.201 ( 0.974 0.000 0.000) 0.974 5.205 ( -0.777 0.000 0.000) 0.777 5.255 ( -1.122 0.000 0.000) 1.122 5.309 ( -1.539 0.000 0.000) 1.539 5.327 ( 3.723 0.000 0.000) 3.723 5.408 ( 8.464 0.000 0.000) 8.464 5.485 ( -1.785 0.000 0.000) 1.785 5.488 ( -2.016 0.000 0.000) 2.016 5.503 ( 5.891 0.000 0.000) 5.891 5.510 ( -7.150 0.000 0.000) 7.150 5.613 ( -7.596 0.000 0.000) 7.596 5.615 ( -5.449 0.000 0.000) 5.449 5.729 ( -1.848 0.000 0.000) 1.848 5.732 ( -3.475 0.000 0.000) 3.475 5.806 ( -1.437 0.000 0.000) 1.437 5.814 ( 2.984 0.000 0.000) 2.984 5.920 ( 2.482 0.000 0.000) 2.482 5.971 ( 3.147 0.000 0.000) 3.147 5.973 ( -0.021 0.000 0.000) 0.021 6.002 ( -5.553 0.000 0.000) 5.553 6.012 ( -5.492 0.000 0.000) 5.492 6.047 ( 1.438 0.000 0.000) 1.438 6.104 ( 0.390 0.000 0.000) 0.390 6.108 ( 1.462 0.000 0.000) 1.462 6.113 ( -1.718 0.000 0.000) 1.718 6.265 ( 4.205 0.000 0.000) 4.205 6.280 ( -0.097 0.000 0.000) 0.097 6.309 ( 1.664 0.000 0.000) 1.664 6.331 ( -6.206 0.000 0.000) 6.206 6.349 ( 2.601 0.000 0.000) 2.601 6.367 ( 1.038 0.000 0.000) 1.038 6.403 ( 0.456 0.000 0.000) 0.456 6.463 ( 1.454 0.000 0.000) 1.454 6.469 ( -0.509 0.000 0.000) 0.509 6.478 ( 3.413 0.000 0.000) 3.413 6.497 ( 0.678 0.000 0.000) 0.678 6.568 ( 1.373 0.000 0.000) 1.373 6.608 ( -0.629 0.000 0.000) 0.629 6.819 ( -2.184 0.000 0.000) 2.184 6.842 ( -1.748 0.000 0.000) 1.748 6.853 ( -1.524 0.000 0.000) 1.524 7.181 ( -15.836 0.000 0.000) 15.836 9.446 ( 1.046 0.000 0.000) 1.046 9.446 ( 1.290 0.000 0.000) 1.290 9.554 ( 0.188 0.000 0.000) 0.188 9.557 ( 0.238 0.000 0.000) 0.238 9.562 ( -1.315 0.000 0.000) 1.315 9.566 ( -0.913 0.000 0.000) 0.913 9.623 ( -3.429 0.000 0.000) 3.429 9.630 ( -3.016 0.000 0.000) 3.016 9.752 ( 1.562 0.000 0.000) 1.562 9.761 ( 1.050 0.000 0.000) 1.050 9.784 ( 2.287 0.000 0.000) 2.287 9.785 ( 2.461 0.000 0.000) 2.461 9.846 ( -1.078 0.000 0.000) 1.078 9.905 ( -1.469 0.000 0.000) 1.469 9.908 ( -1.137 0.000 0.000) 1.137 9.958 ( -4.956 0.000 0.000) 4.956 10.287 ( 0.923 0.000 0.000) 0.923 10.287 ( 0.820 0.000 0.000) 0.820 10.359 ( -0.849 0.000 0.000) 0.849 10.366 ( -0.922 0.000 0.000) 0.922 10.371 ( 3.804 0.000 0.000) 3.804 10.428 ( 0.840 0.000 0.000) 0.840 10.462 ( -0.259 0.000 0.000) 0.259 10.464 ( -0.190 0.000 0.000) 0.190 10.922 ( 0.038 0.000 0.000) 0.038 10.924 ( 0.192 0.000 0.000) 0.192 10.925 ( 0.278 0.000 0.000) 0.278 10.926 ( 0.033 0.000 0.000) 0.033 10.960 ( 0.562 0.000 0.000) 0.562 10.975 ( 1.850 0.000 0.000) 1.850 10.976 ( 0.980 0.000 0.000) 0.980 10.996 ( -0.223 0.000 0.000) 0.223 11.097 ( 0.410 0.000 0.000) 0.410 11.114 ( 0.452 0.000 0.000) 0.452 11.135 ( 2.052 0.000 0.000) 2.052 11.153 ( -0.718 0.000 0.000) 0.718 11.160 ( -0.780 0.000 0.000) 0.780 11.187 ( 0.732 0.000 0.000) 0.732 11.208 ( -0.576 0.000 0.000) 0.576 11.247 ( -0.899 0.000 0.000) 0.899 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 4.065 0.000 0.000) 4.065 0.468 ( 5.665 0.000 0.000) 5.665 0.498 ( 0.926 0.000 0.000) 0.926 0.524 ( 8.746 0.000 0.000) 8.746 0.564 ( 6.399 0.000 0.000) 6.399 0.568 ( -5.430 0.000 0.000) 5.430 0.641 ( 4.698 0.000 0.000) 4.698 0.681 ( 2.329 0.000 0.000) 2.329 0.711 ( -8.058 0.000 0.000) 8.058 0.712 ( 8.188 0.000 0.000) 8.188 0.752 ( -6.865 0.000 0.000) 6.865 0.777 ( 1.670 0.000 0.000) 1.670 0.787 ( -0.846 0.000 0.000) 0.846 0.826 ( -5.074 0.000 0.000) 5.074 0.832 ( -5.460 0.000 0.000) 5.460 0.877 ( -7.108 0.000 0.000) 7.108 0.963 ( -0.970 0.000 0.000) 0.970 0.987 ( 1.667 0.000 0.000) 1.667 0.989 ( -2.948 0.000 0.000) 2.948 1.005 ( -2.245 0.000 0.000) 2.245 1.023 ( 11.680 0.000 0.000) 11.680 1.105 ( 8.741 0.000 0.000) 8.741 1.141 ( 5.214 0.000 0.000) 5.214 1.224 ( -2.871 0.000 0.000) 2.871 1.226 ( 10.288 0.000 0.000) 10.288 1.257 ( -2.431 0.000 0.000) 2.431 1.263 ( -4.402 0.000 0.000) 4.402 1.316 ( 7.337 0.000 0.000) 7.337 1.379 ( 2.545 0.000 0.000) 2.545 1.381 ( 1.371 0.000 0.000) 1.371 1.395 ( 0.250 0.000 0.000) 0.250 1.422 ( -3.021 0.000 0.000) 3.021 1.433 ( -0.824 0.000 0.000) 0.824 1.472 ( -4.124 0.000 0.000) 4.124 1.503 ( -8.079 0.000 0.000) 8.079 1.527 ( 6.581 0.000 0.000) 6.581 1.572 ( -5.484 0.000 0.000) 5.484 1.584 ( 1.947 0.000 0.000) 1.947 1.611 ( 0.052 0.000 0.000) 0.052 1.648 ( -2.850 0.000 0.000) 2.850 1.654 ( 4.479 0.000 0.000) 4.479 1.663 ( 4.990 0.000 0.000) 4.990 1.686 ( 0.357 0.000 0.000) 0.357 1.687 ( 2.192 0.000 0.000) 2.192 1.705 ( -0.675 0.000 0.000) 0.675 1.721 ( -0.177 0.000 0.000) 0.177 1.736 ( -0.913 0.000 0.000) 0.913 1.742 ( -2.909 0.000 0.000) 2.909 1.760 ( 1.286 0.000 0.000) 1.286 1.773 ( 3.913 0.000 0.000) 3.913 1.782 ( 1.087 0.000 0.000) 1.087 1.785 ( 3.007 0.000 0.000) 3.007 2.173 ( 0.276 0.000 0.000) 0.276 2.251 ( -0.202 0.000 0.000) 0.202 2.253 ( -5.818 0.000 0.000) 5.818 2.268 ( -1.675 0.000 0.000) 1.675 2.295 ( -1.914 0.000 0.000) 1.914 2.318 ( -1.055 0.000 0.000) 1.055 2.331 ( -1.078 0.000 0.000) 1.078 2.342 ( -6.610 0.000 0.000) 6.610 2.620 ( 0.365 0.000 0.000) 0.365 2.637 ( 2.911 0.000 0.000) 2.911 2.665 ( -3.612 0.000 0.000) 3.612 2.677 ( -1.074 0.000 0.000) 1.074 2.862 ( -0.267 0.000 0.000) 0.267 2.862 ( -1.745 0.000 0.000) 1.745 2.922 ( 0.705 0.000 0.000) 0.705 2.930 ( 0.498 0.000 0.000) 0.498 2.957 ( 3.866 0.000 0.000) 3.866 3.048 ( -5.418 0.000 0.000) 5.418 3.148 ( 1.214 0.000 0.000) 1.214 3.157 ( -0.277 0.000 0.000) 0.277 3.262 ( -0.430 0.000 0.000) 0.430 3.287 ( -2.715 0.000 0.000) 2.715 3.328 ( 4.103 0.000 0.000) 4.103 3.364 ( 3.989 0.000 0.000) 3.989 3.413 ( -3.166 0.000 0.000) 3.166 3.448 ( -0.034 0.000 0.000) 0.034 3.450 ( -4.332 0.000 0.000) 4.332 3.461 ( -0.313 0.000 0.000) 0.313 3.509 ( 0.972 0.000 0.000) 0.972 3.524 ( 0.286 0.000 0.000) 0.286 3.550 ( 2.970 0.000 0.000) 2.970 3.562 ( 0.897 0.000 0.000) 0.897 3.572 ( 0.311 0.000 0.000) 0.311 3.619 ( -2.532 0.000 0.000) 2.532 3.624 ( 4.273 0.000 0.000) 4.273 3.680 ( -1.058 0.000 0.000) 1.058 3.697 ( -2.962 0.000 0.000) 2.962 3.705 ( -2.274 0.000 0.000) 2.274 3.803 ( 2.459 0.000 0.000) 2.459 3.834 ( -0.665 0.000 0.000) 0.665 3.908 ( 4.326 0.000 0.000) 4.326 3.987 ( -2.129 0.000 0.000) 2.129 3.997 ( 3.230 0.000 0.000) 3.230 4.024 ( 1.484 0.000 0.000) 1.484 4.034 ( 0.465 0.000 0.000) 0.465 4.061 ( -4.028 0.000 0.000) 4.028 4.074 ( -1.772 0.000 0.000) 1.772 4.074 ( -3.054 0.000 0.000) 3.054 4.106 ( 0.323 0.000 0.000) 0.323 4.141 ( -3.451 0.000 0.000) 3.451 4.144 ( -0.650 0.000 0.000) 0.650 4.150 ( -1.142 0.000 0.000) 1.142 4.323 ( 1.119 0.000 0.000) 1.119 4.342 ( -1.304 0.000 0.000) 1.304 4.344 ( 3.888 0.000 0.000) 3.888 4.380 ( 0.873 0.000 0.000) 0.873 4.390 ( 1.860 0.000 0.000) 1.860 4.430 ( -1.493 0.000 0.000) 1.493 4.464 ( 1.299 0.000 0.000) 1.299 4.475 ( 3.453 0.000 0.000) 3.453 4.496 ( -2.974 0.000 0.000) 2.974 4.511 ( 2.436 0.000 0.000) 2.436 4.514 ( 2.622 0.000 0.000) 2.622 4.558 ( -2.154 0.000 0.000) 2.154 4.583 ( 0.334 0.000 0.000) 0.334 4.590 ( 0.990 0.000 0.000) 0.990 4.610 ( -1.035 0.000 0.000) 1.035 4.663 ( 1.897 0.000 0.000) 1.897 4.672 ( -3.988 0.000 0.000) 3.988 4.691 ( -2.248 0.000 0.000) 2.248 4.705 ( -5.540 0.000 0.000) 5.540 4.726 ( -4.489 0.000 0.000) 4.489 4.869 ( 6.474 0.000 0.000) 6.474 4.891 ( 4.674 0.000 0.000) 4.674 4.951 ( 6.272 0.000 0.000) 6.272 5.004 ( 3.271 0.000 0.000) 3.271 5.015 ( 1.168 0.000 0.000) 1.168 5.067 ( -4.340 0.000 0.000) 4.340 5.075 ( 4.598 0.000 0.000) 4.598 5.117 ( -1.741 0.000 0.000) 1.741 5.213 ( 8.167 0.000 0.000) 8.167 5.217 ( 3.932 0.000 0.000) 3.932 5.230 ( 1.793 0.000 0.000) 1.793 5.239 ( 0.501 0.000 0.000) 0.501 5.270 ( -2.097 0.000 0.000) 2.097 5.276 ( 9.532 0.000 0.000) 9.532 5.307 ( -4.697 0.000 0.000) 4.697 5.354 ( -6.214 0.000 0.000) 6.214 5.361 ( -6.701 0.000 0.000) 6.701 5.459 ( 0.005 0.000 0.000) 0.005 5.500 ( -4.026 0.000 0.000) 4.026 5.508 ( -8.300 0.000 0.000) 8.300 5.599 ( 3.854 0.000 0.000) 3.854 5.614 ( 7.644 0.000 0.000) 7.644 5.673 ( -3.691 0.000 0.000) 3.691 5.685 ( -1.693 0.000 0.000) 1.693 5.776 ( 0.304 0.000 0.000) 0.304 5.872 ( -7.550 0.000 0.000) 7.550 5.877 ( 5.024 0.000 0.000) 5.024 5.954 ( -2.314 0.000 0.000) 2.314 5.964 ( 1.409 0.000 0.000) 1.409 5.987 ( -0.730 0.000 0.000) 0.730 5.990 ( 4.064 0.000 0.000) 4.064 6.081 ( -2.188 0.000 0.000) 2.188 6.100 ( 2.747 0.000 0.000) 2.747 6.111 ( 0.536 0.000 0.000) 0.536 6.127 ( 0.012 0.000 0.000) 0.012 6.176 ( -8.052 0.000 0.000) 8.052 6.284 ( 0.383 0.000 0.000) 0.383 6.292 ( -0.248 0.000 0.000) 0.248 6.355 ( 2.893 0.000 0.000) 2.893 6.393 ( 0.484 0.000 0.000) 0.484 6.405 ( 1.620 0.000 0.000) 1.620 6.414 ( 0.352 0.000 0.000) 0.352 6.452 ( -0.276 0.000 0.000) 0.276 6.471 ( -0.808 0.000 0.000) 0.808 6.520 ( 1.638 0.000 0.000) 1.638 6.531 ( 1.279 0.000 0.000) 1.279 6.602 ( 1.467 0.000 0.000) 1.467 6.605 ( 0.455 0.000 0.000) 0.455 6.793 ( 0.968 0.000 0.000) 0.968 6.810 ( -0.946 0.000 0.000) 0.946 6.819 ( -1.615 0.000 0.000) 1.615 6.905 ( -10.856 0.000 0.000) 10.856 9.475 ( 2.021 0.000 0.000) 2.021 9.482 ( 2.438 0.000 0.000) 2.438 9.521 ( -2.633 0.000 0.000) 2.633 9.533 ( -2.540 0.000 0.000) 2.540 9.561 ( 0.528 0.000 0.000) 0.528 9.564 ( 0.587 0.000 0.000) 0.587 9.577 ( -1.337 0.000 0.000) 1.337 9.583 ( -1.557 0.000 0.000) 1.557 9.787 ( 1.619 0.000 0.000) 1.619 9.795 ( 2.746 0.000 0.000) 2.746 9.819 ( -1.636 0.000 0.000) 1.636 9.832 ( 2.649 0.000 0.000) 2.649 9.834 ( 2.466 0.000 0.000) 2.466 9.856 ( -3.448 0.000 0.000) 3.448 9.877 ( -2.012 0.000 0.000) 2.012 9.883 ( -2.758 0.000 0.000) 2.758 10.309 ( 1.391 0.000 0.000) 1.391 10.312 ( 1.537 0.000 0.000) 1.537 10.337 ( -1.401 0.000 0.000) 1.401 10.342 ( -1.518 0.000 0.000) 1.518 10.427 ( 1.987 0.000 0.000) 1.987 10.446 ( 0.833 0.000 0.000) 0.833 10.452 ( -0.780 0.000 0.000) 0.780 10.458 ( -0.463 0.000 0.000) 0.463 10.925 ( 0.177 0.000 0.000) 0.177 10.927 ( 0.069 0.000 0.000) 0.069 10.927 ( 0.035 0.000 0.000) 0.035 10.927 ( -0.033 0.000 0.000) 0.033 10.974 ( 0.808 0.000 0.000) 0.808 10.988 ( -0.577 0.000 0.000) 0.577 10.994 ( 0.667 0.000 0.000) 0.667 10.997 ( 0.424 0.000 0.000) 0.424 11.112 ( 1.034 0.000 0.000) 1.034 11.126 ( 0.821 0.000 0.000) 0.821 11.134 ( -1.171 0.000 0.000) 1.171 11.144 ( -0.917 0.000 0.000) 0.917 11.171 ( 1.532 0.000 0.000) 1.532 11.194 ( -0.919 0.000 0.000) 0.919 11.203 ( 1.015 0.000 0.000) 1.015 11.225 ( -1.222 0.000 0.000) 1.222 ======================= Grid point 5 (4/24) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.000 11.605 0.000) 11.605 0.280 ( 0.000 12.670 0.000) 12.670 0.442 ( 0.000 5.876 0.000) 5.876 0.518 ( 0.000 1.912 0.000) 1.912 0.540 ( 0.000 10.306 0.000) 10.306 0.589 ( 0.000 11.481 0.000) 11.481 0.638 ( 0.000 4.741 0.000) 4.741 0.656 ( 0.000 5.766 0.000) 5.766 0.727 ( 0.000 8.201 0.000) 8.201 0.741 ( 0.000 5.169 0.000) 5.169 0.743 ( 0.000 2.554 0.000) 2.554 0.899 ( 0.000 0.059 0.000) 0.059 0.928 ( 0.000 -4.028 0.000) 4.028 0.942 ( 0.000 1.506 0.000) 1.506 0.944 ( 0.000 1.374 0.000) 1.374 1.010 ( 0.000 1.717 0.000) 1.717 1.011 ( 0.000 0.714 0.000) 0.714 1.042 ( 0.000 -0.665 0.000) 0.665 1.054 ( 0.000 0.572 0.000) 0.572 1.060 ( 0.000 2.678 0.000) 2.678 1.086 ( 0.000 1.790 0.000) 1.790 1.116 ( 0.000 1.115 0.000) 1.115 1.133 ( 0.000 5.573 0.000) 5.573 1.134 ( 0.000 10.215 0.000) 10.215 1.144 ( 0.000 2.359 0.000) 2.359 1.169 ( 0.000 1.311 0.000) 1.311 1.172 ( 0.000 9.838 0.000) 9.838 1.193 ( 0.000 3.735 0.000) 3.735 1.339 ( 0.000 7.753 0.000) 7.753 1.385 ( 0.000 -0.617 0.000) 0.617 1.402 ( 0.000 0.693 0.000) 0.693 1.430 ( 0.000 -0.882 0.000) 0.882 1.442 ( 0.000 1.757 0.000) 1.757 1.453 ( 0.000 -0.806 0.000) 0.806 1.477 ( 0.000 1.958 0.000) 1.958 1.483 ( 0.000 1.521 0.000) 1.521 1.524 ( 0.000 -3.293 0.000) 3.293 1.543 ( 0.000 2.064 0.000) 2.064 1.543 ( 0.000 1.777 0.000) 1.777 1.585 ( 0.000 -0.225 0.000) 0.225 1.620 ( 0.000 0.068 0.000) 0.068 1.650 ( 0.000 -2.877 0.000) 2.877 1.681 ( 0.000 1.648 0.000) 1.648 1.682 ( 0.000 0.683 0.000) 0.683 1.698 ( 0.000 1.740 0.000) 1.740 1.703 ( 0.000 -1.502 0.000) 1.502 1.714 ( 0.000 -1.781 0.000) 1.781 1.741 ( 0.000 -1.560 0.000) 1.560 1.744 ( 0.000 0.720 0.000) 0.720 1.767 ( 0.000 0.553 0.000) 0.553 1.769 ( 0.000 -2.758 0.000) 2.758 1.774 ( 0.000 -2.531 0.000) 2.531 2.267 ( 0.000 -4.336 0.000) 4.336 2.300 ( 0.000 -3.927 0.000) 3.927 2.307 ( 0.000 -1.587 0.000) 1.587 2.308 ( 0.000 -3.419 0.000) 3.419 2.322 ( 0.000 -3.466 0.000) 3.466 2.344 ( 0.000 -3.872 0.000) 3.872 2.385 ( 0.000 -2.078 0.000) 2.078 2.519 ( 0.000 -2.411 0.000) 2.411 2.599 ( 0.000 5.896 0.000) 5.896 2.683 ( 0.000 2.976 0.000) 2.976 2.704 ( 0.000 2.129 0.000) 2.129 2.772 ( 0.000 3.292 0.000) 3.292 2.801 ( 0.000 -2.123 0.000) 2.123 2.844 ( 0.000 -2.725 0.000) 2.725 2.872 ( 0.000 -3.576 0.000) 3.576 2.910 ( 0.000 3.291 0.000) 3.291 3.007 ( 0.000 1.357 0.000) 1.357 3.078 ( 0.000 -0.273 0.000) 0.273 3.125 ( 0.000 -3.137 0.000) 3.137 3.188 ( 0.000 -4.703 0.000) 4.703 3.194 ( 0.000 -1.555 0.000) 1.555 3.209 ( 0.000 -0.624 0.000) 0.624 3.243 ( 0.000 -2.284 0.000) 2.284 3.272 ( 0.000 -5.914 0.000) 5.914 3.284 ( 0.000 -4.877 0.000) 4.877 3.391 ( 0.000 -3.675 0.000) 3.675 3.400 ( 0.000 -1.096 0.000) 1.096 3.453 ( 0.000 -1.059 0.000) 1.059 3.524 ( 0.000 -1.265 0.000) 1.265 3.563 ( 0.000 -0.245 0.000) 0.245 3.574 ( 0.000 2.251 0.000) 2.251 3.578 ( 0.000 -3.871 0.000) 3.871 3.578 ( 0.000 -3.863 0.000) 3.863 3.631 ( 0.000 0.910 0.000) 0.910 3.689 ( 0.000 -2.015 0.000) 2.015 3.709 ( 0.000 4.763 0.000) 4.763 3.735 ( 0.000 -3.337 0.000) 3.337 3.775 ( 0.000 -4.708 0.000) 4.708 3.826 ( 0.000 -5.573 0.000) 5.573 3.832 ( 0.000 0.797 0.000) 0.797 3.867 ( 0.000 -0.807 0.000) 0.807 3.880 ( 0.000 -0.012 0.000) 0.012 3.928 ( 0.000 -4.300 0.000) 4.300 3.975 ( 0.000 -5.929 0.000) 5.929 3.985 ( 0.000 6.096 0.000) 6.096 4.016 ( 0.000 -6.879 0.000) 6.879 4.090 ( 0.000 2.533 0.000) 2.533 4.128 ( 0.000 -1.100 0.000) 1.100 4.145 ( 0.000 1.728 0.000) 1.728 4.149 ( 0.000 3.360 0.000) 3.360 4.216 ( 0.000 -0.173 0.000) 0.173 4.236 ( 0.000 0.917 0.000) 0.917 4.273 ( 0.000 4.766 0.000) 4.766 4.287 ( 0.000 -2.294 0.000) 2.294 4.320 ( 0.000 0.909 0.000) 0.909 4.342 ( 0.000 -1.550 0.000) 1.550 4.355 ( 0.000 -0.071 0.000) 0.071 4.383 ( 0.000 0.838 0.000) 0.838 4.400 ( 0.000 -1.548 0.000) 1.548 4.407 ( 0.000 1.799 0.000) 1.799 4.439 ( 0.000 1.476 0.000) 1.476 4.533 ( 0.000 -3.496 0.000) 3.496 4.577 ( 0.000 -2.885 0.000) 2.885 4.601 ( 0.000 6.291 0.000) 6.291 4.612 ( 0.000 -2.249 0.000) 2.249 4.626 ( 0.000 -1.928 0.000) 1.928 4.630 ( 0.000 5.147 0.000) 5.147 4.669 ( 0.000 3.361 0.000) 3.361 4.717 ( 0.000 0.624 0.000) 0.624 4.719 ( 0.000 -1.364 0.000) 1.364 4.761 ( 0.000 4.311 0.000) 4.311 4.793 ( 0.000 1.594 0.000) 1.594 4.808 ( 0.000 5.090 0.000) 5.090 4.827 ( 0.000 -1.009 0.000) 1.009 4.890 ( 0.000 2.458 0.000) 2.458 4.900 ( 0.000 1.719 0.000) 1.719 4.983 ( 0.000 5.680 0.000) 5.680 5.035 ( 0.000 6.033 0.000) 6.033 5.060 ( 0.000 -3.459 0.000) 3.459 5.083 ( 0.000 7.529 0.000) 7.529 5.113 ( 0.000 3.562 0.000) 3.562 5.148 ( 0.000 -3.409 0.000) 3.409 5.214 ( 0.000 0.117 0.000) 0.117 5.234 ( 0.000 4.459 0.000) 4.459 5.245 ( 0.000 2.423 0.000) 2.423 5.287 ( 0.000 3.249 0.000) 3.249 5.352 ( 0.000 4.820 0.000) 4.820 5.440 ( 0.000 0.226 0.000) 0.226 5.472 ( 0.000 8.289 0.000) 8.289 5.512 ( 0.000 0.323 0.000) 0.323 5.527 ( 0.000 2.674 0.000) 2.674 5.599 ( 0.000 1.807 0.000) 1.807 5.685 ( 0.000 -4.511 0.000) 4.511 5.690 ( 0.000 -3.184 0.000) 3.184 5.700 ( 0.000 -3.330 0.000) 3.330 5.719 ( 0.000 -2.129 0.000) 2.129 5.817 ( 0.000 1.682 0.000) 1.682 5.860 ( 0.000 -0.466 0.000) 0.466 5.864 ( 0.000 -0.830 0.000) 0.830 5.900 ( 0.000 0.350 0.000) 0.350 5.926 ( 0.000 0.393 0.000) 0.393 6.019 ( 0.000 -1.503 0.000) 1.503 6.058 ( 0.000 -1.430 0.000) 1.430 6.065 ( 0.000 -0.947 0.000) 0.947 6.119 ( 0.000 -0.110 0.000) 0.110 6.137 ( 0.000 0.842 0.000) 0.842 6.139 ( 0.000 0.220 0.000) 0.220 6.153 ( 0.000 -0.353 0.000) 0.353 6.259 ( 0.000 -2.091 0.000) 2.091 6.303 ( 0.000 0.873 0.000) 0.873 6.305 ( 0.000 -3.830 0.000) 3.830 6.310 ( 0.000 1.525 0.000) 1.525 6.358 ( 0.000 -4.357 0.000) 4.357 6.358 ( 0.000 -4.157 0.000) 4.157 6.432 ( 0.000 -3.513 0.000) 3.513 6.471 ( 0.000 -1.687 0.000) 1.687 6.512 ( 0.000 3.741 0.000) 3.741 6.513 ( 0.000 -4.025 0.000) 4.025 6.646 ( 0.000 2.714 0.000) 2.714 6.668 ( 0.000 2.797 0.000) 2.797 6.791 ( 0.000 -4.232 0.000) 4.232 6.825 ( 0.000 -1.296 0.000) 1.296 6.860 ( 0.000 -0.728 0.000) 0.728 7.175 ( 0.000 -17.007 0.000) 17.007 9.446 ( 0.000 1.170 0.000) 1.170 9.448 ( 0.000 1.150 0.000) 1.150 9.557 ( 0.000 0.409 0.000) 0.409 9.559 ( 0.000 0.438 0.000) 0.438 9.569 ( 0.000 -0.451 0.000) 0.451 9.570 ( 0.000 -0.385 0.000) 0.385 9.639 ( 0.000 -2.092 0.000) 2.092 9.659 ( 0.000 -1.155 0.000) 1.155 9.758 ( 0.000 0.694 0.000) 0.694 9.765 ( 0.000 0.918 0.000) 0.918 9.778 ( 0.000 1.740 0.000) 1.740 9.784 ( 0.000 0.835 0.000) 0.835 9.854 ( 0.000 -0.295 0.000) 0.295 9.914 ( 0.000 -0.434 0.000) 0.434 9.915 ( 0.000 -0.420 0.000) 0.420 9.965 ( 0.000 -4.101 0.000) 4.101 10.280 ( 0.000 0.124 0.000) 0.124 10.280 ( 0.000 0.176 0.000) 0.176 10.313 ( 0.000 -0.229 0.000) 0.229 10.314 ( 0.000 -0.150 0.000) 0.150 10.430 ( 0.000 4.243 0.000) 4.243 10.475 ( 0.000 1.012 0.000) 1.012 10.479 ( 0.000 1.163 0.000) 1.163 10.529 ( 0.000 0.689 0.000) 0.689 10.924 ( 0.000 0.374 0.000) 0.374 10.926 ( 0.000 0.378 0.000) 0.378 10.935 ( 0.000 -0.442 0.000) 0.442 10.941 ( 0.000 -0.443 0.000) 0.443 10.944 ( 0.000 -0.898 0.000) 0.898 10.948 ( 0.000 1.476 0.000) 1.476 10.954 ( 0.000 -1.002 0.000) 1.002 11.011 ( 0.000 -0.678 0.000) 0.678 11.091 ( 0.000 0.167 0.000) 0.167 11.095 ( 0.000 0.016 0.000) 0.016 11.116 ( 0.000 0.531 0.000) 0.531 11.159 ( 0.000 -0.099 0.000) 0.099 11.170 ( 0.000 -0.321 0.000) 0.321 11.171 ( 0.000 -0.343 0.000) 0.343 11.184 ( 0.000 -0.720 0.000) 0.720 11.210 ( 0.000 -0.571 0.000) 0.571 ======================= Grid point 6 (5/24) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 6.104 7.028 0.000) 9.309 0.361 ( 10.114 7.005 0.000) 12.303 0.460 ( 0.130 5.039 0.000) 5.040 0.489 ( 0.989 2.650 0.000) 2.829 0.613 ( 3.376 3.257 0.000) 4.691 0.623 ( 1.321 3.693 0.000) 3.922 0.644 ( -4.691 1.644 0.000) 4.971 0.663 ( 5.352 8.417 0.000) 9.975 0.720 ( 5.397 2.936 0.000) 6.144 0.763 ( -5.435 7.124 0.000) 8.961 0.792 ( 6.526 10.876 0.000) 12.684 0.816 ( -2.465 0.874 0.000) 2.616 0.866 ( -3.136 -0.535 0.000) 3.182 0.925 ( -4.250 0.900 0.000) 4.344 0.938 ( -0.462 0.447 0.000) 0.643 0.983 ( -6.483 2.656 0.000) 7.006 1.007 ( -0.449 1.475 0.000) 1.542 1.038 ( 0.039 0.380 0.000) 0.381 1.053 ( -0.568 3.283 0.000) 3.331 1.060 ( -4.110 2.610 0.000) 4.869 1.064 ( -1.590 0.905 0.000) 1.830 1.065 ( -0.128 0.621 0.000) 0.634 1.096 ( -2.986 1.197 0.000) 3.217 1.145 ( 2.562 7.450 0.000) 7.879 1.192 ( 5.114 3.925 0.000) 6.446 1.228 ( 4.340 3.753 0.000) 5.738 1.254 ( 5.025 5.942 0.000) 7.782 1.266 ( 3.125 1.568 0.000) 3.497 1.283 ( 2.639 4.625 0.000) 5.325 1.365 ( 4.113 3.984 0.000) 5.726 1.413 ( 1.248 -2.295 0.000) 2.613 1.436 ( -0.807 -1.283 0.000) 1.515 1.465 ( -0.040 -2.451 0.000) 2.451 1.486 ( -0.714 1.083 0.000) 1.297 1.500 ( 2.725 -2.548 0.000) 3.731 1.518 ( -2.238 -0.040 0.000) 2.239 1.548 ( 2.394 -0.058 0.000) 2.395 1.573 ( 0.446 1.367 0.000) 1.438 1.587 ( 1.097 -2.118 0.000) 2.385 1.593 ( 2.980 0.279 0.000) 2.993 1.599 ( 0.463 -1.857 0.000) 1.914 1.658 ( -0.215 0.311 0.000) 0.378 1.659 ( -1.142 -0.685 0.000) 1.332 1.668 ( 0.461 0.235 0.000) 0.518 1.711 ( 1.659 0.707 0.000) 1.803 1.714 ( -1.300 0.411 0.000) 1.363 1.719 ( -0.304 -0.486 0.000) 0.574 1.733 ( 1.333 0.127 0.000) 1.339 1.744 ( 1.551 1.133 0.000) 1.921 1.762 ( -1.028 -1.794 0.000) 2.068 1.766 ( -0.819 -1.562 0.000) 1.764 1.778 ( 0.540 1.268 0.000) 1.378 2.200 ( -4.238 -3.507 0.000) 5.501 2.244 ( -1.920 -4.424 0.000) 4.822 2.278 ( -1.685 -1.636 0.000) 2.348 2.284 ( -2.302 -3.372 0.000) 4.082 2.349 ( 2.162 -0.440 0.000) 2.206 2.362 ( -1.728 -0.548 0.000) 1.813 2.373 ( -2.185 -0.144 0.000) 2.189 2.485 ( -3.475 -0.271 0.000) 3.486 2.622 ( 1.751 3.917 0.000) 4.291 2.657 ( -1.406 1.781 0.000) 2.269 2.691 ( -1.407 0.167 0.000) 1.417 2.749 ( -1.798 3.218 0.000) 3.686 2.824 ( 1.646 -2.336 0.000) 2.858 2.847 ( 0.200 -3.713 0.000) 3.718 2.886 ( -0.484 -3.803 0.000) 3.834 2.929 ( 1.841 2.254 0.000) 2.910 2.951 ( -4.897 0.939 0.000) 4.987 3.086 ( -4.502 -5.438 0.000) 7.060 3.099 ( 1.572 -1.018 0.000) 1.873 3.173 ( -0.890 -0.710 0.000) 1.138 3.202 ( -0.013 -6.637 0.000) 6.637 3.235 ( 4.281 -0.042 0.000) 4.281 3.239 ( 0.919 -4.349 0.000) 4.445 3.289 ( 0.622 -7.302 0.000) 7.329 3.306 ( -0.999 -3.624 0.000) 3.759 3.386 ( 1.095 -3.889 0.000) 4.040 3.410 ( 0.897 -0.878 0.000) 1.255 3.460 ( 2.018 -0.751 0.000) 2.153 3.500 ( -0.148 -0.365 0.000) 0.394 3.548 ( -1.931 -1.550 0.000) 2.477 3.570 ( -0.059 -1.597 0.000) 1.598 3.571 ( -1.335 -2.256 0.000) 2.622 3.585 ( -1.417 3.836 0.000) 4.089 3.602 ( -0.598 0.782 0.000) 0.984 3.646 ( -1.700 1.390 0.000) 2.196 3.735 ( 0.729 0.771 0.000) 1.061 3.756 ( -3.885 0.059 0.000) 3.885 3.761 ( -2.725 -1.246 0.000) 2.996 3.787 ( 1.228 -3.065 0.000) 3.301 3.802 ( 0.774 0.494 0.000) 0.918 3.854 ( 0.074 -0.231 0.000) 0.243 3.893 ( 0.046 -5.915 0.000) 5.915 3.949 ( 1.245 -2.054 0.000) 2.402 4.016 ( 1.922 2.410 0.000) 3.083 4.019 ( 2.347 -1.283 0.000) 2.675 4.063 ( 0.009 -1.337 0.000) 1.337 4.077 ( -1.672 0.921 0.000) 1.909 4.113 ( -3.593 1.385 0.000) 3.850 4.122 ( 3.455 -1.123 0.000) 3.633 4.207 ( 2.453 -0.002 0.000) 2.453 4.227 ( 0.873 0.754 0.000) 1.153 4.253 ( 2.133 4.225 0.000) 4.733 4.270 ( 1.120 2.300 0.000) 2.558 4.297 ( 1.976 -2.721 0.000) 3.362 4.335 ( 1.382 1.037 0.000) 1.728 4.363 ( 0.701 -1.279 0.000) 1.459 4.367 ( 2.750 -3.442 0.000) 4.405 4.398 ( -0.481 1.271 0.000) 1.359 4.418 ( 1.012 -0.928 0.000) 1.373 4.447 ( 3.685 -1.356 0.000) 3.926 4.452 ( 0.640 2.354 0.000) 2.439 4.507 ( -1.570 4.974 0.000) 5.216 4.523 ( -2.680 -1.117 0.000) 2.904 4.550 ( 0.802 -1.825 0.000) 1.993 4.589 ( -2.892 0.338 0.000) 2.911 4.645 ( -0.465 0.417 0.000) 0.625 4.657 ( -2.050 0.413 0.000) 2.091 4.692 ( -0.608 -2.682 0.000) 2.750 4.693 ( -1.702 -1.943 0.000) 2.583 4.719 ( -2.708 4.816 0.000) 5.525 4.758 ( 4.960 1.485 0.000) 5.178 4.777 ( 0.241 0.318 0.000) 0.399 4.827 ( -4.147 1.997 0.000) 4.603 4.837 ( 0.046 2.715 0.000) 2.715 4.889 ( 5.036 0.880 0.000) 5.112 4.953 ( -2.781 4.309 0.000) 5.128 4.955 ( 4.107 1.338 0.000) 4.320 5.039 ( 3.937 1.186 0.000) 4.112 5.069 ( 1.215 3.762 0.000) 3.953 5.107 ( 2.807 0.291 0.000) 2.823 5.107 ( 5.225 3.425 0.000) 6.247 5.173 ( -2.745 2.053 0.000) 3.427 5.190 ( -1.758 0.322 0.000) 1.787 5.271 ( 0.607 5.991 0.000) 6.022 5.280 ( 2.937 5.029 0.000) 5.824 5.321 ( 3.169 1.352 0.000) 3.446 5.437 ( 4.454 0.786 0.000) 4.523 5.457 ( -0.908 5.431 0.000) 5.506 5.474 ( -1.048 0.782 0.000) 1.307 5.481 ( 1.702 2.473 0.000) 3.002 5.526 ( 0.948 1.792 0.000) 2.028 5.553 ( -4.333 2.425 0.000) 4.965 5.612 ( -6.415 -1.235 0.000) 6.533 5.618 ( -4.609 -0.748 0.000) 4.669 5.693 ( -1.111 -3.019 0.000) 3.217 5.712 ( -0.962 -1.151 0.000) 1.500 5.805 ( -3.200 -0.269 0.000) 3.211 5.824 ( 0.720 0.145 0.000) 0.734 5.887 ( 1.435 -1.140 0.000) 1.833 5.922 ( 4.287 -0.786 0.000) 4.359 5.998 ( -0.164 -1.207 0.000) 1.218 6.003 ( -5.425 -0.574 0.000) 5.455 6.033 ( -2.428 0.693 0.000) 2.525 6.040 ( 2.557 -0.849 0.000) 2.694 6.102 ( 1.295 -0.130 0.000) 1.302 6.121 ( -1.381 0.494 0.000) 1.467 6.127 ( -0.672 1.480 0.000) 1.626 6.233 ( 4.161 -2.516 0.000) 4.863 6.269 ( -2.697 -3.714 0.000) 4.589 6.281 ( -0.413 -2.351 0.000) 2.387 6.309 ( 0.498 -2.111 0.000) 2.169 6.325 ( 0.170 -0.395 0.000) 0.430 6.340 ( 2.567 0.047 0.000) 2.568 6.377 ( 0.327 -3.251 0.000) 3.268 6.414 ( -1.555 -3.351 0.000) 3.694 6.471 ( -0.112 -2.160 0.000) 2.163 6.501 ( -0.738 1.297 0.000) 1.492 6.526 ( 1.251 -3.555 0.000) 3.769 6.550 ( -3.773 2.719 0.000) 4.651 6.657 ( -0.452 3.553 0.000) 3.582 6.810 ( -1.329 -0.464 0.000) 1.408 6.816 ( 0.035 -2.530 0.000) 2.530 6.848 ( -1.161 -0.420 0.000) 1.235 7.040 ( -11.183 -11.770 0.000) 16.236 9.456 ( 0.964 0.977 0.000) 1.372 9.457 ( 1.034 1.041 0.000) 1.467 9.558 ( -1.247 -0.396 0.000) 1.309 9.559 ( 0.166 0.411 0.000) 0.444 9.560 ( 0.158 0.332 0.000) 0.368 9.562 ( -0.850 -0.369 0.000) 0.926 9.609 ( -2.252 -1.000 0.000) 2.464 9.628 ( -2.550 -0.379 0.000) 2.578 9.773 ( 0.727 1.333 0.000) 1.518 9.781 ( 0.946 1.070 0.000) 1.428 9.786 ( 1.748 0.823 0.000) 1.932 9.795 ( 1.875 0.703 0.000) 2.002 9.846 ( -0.876 -0.105 0.000) 0.883 9.901 ( -1.544 -0.460 0.000) 1.611 9.905 ( -1.051 -0.365 0.000) 1.113 9.928 ( -2.959 -2.209 0.000) 3.693 10.290 ( 1.052 0.307 0.000) 1.096 10.291 ( 1.157 0.406 0.000) 1.226 10.342 ( 1.978 -0.630 0.000) 2.076 10.345 ( 1.927 -0.798 0.000) 2.086 10.421 ( -0.568 3.090 0.000) 3.142 10.457 ( -1.744 1.257 0.000) 2.149 10.476 ( -0.404 1.029 0.000) 1.105 10.491 ( -1.827 1.955 0.000) 2.676 10.926 ( 0.135 0.135 0.000) 0.191 10.927 ( 0.107 0.134 0.000) 0.172 10.932 ( -0.188 0.601 0.000) 0.630 10.936 ( -0.165 0.458 0.000) 0.487 10.950 ( 0.533 -0.827 0.000) 0.984 10.964 ( 0.842 -1.017 0.000) 1.320 10.966 ( 1.035 -0.792 0.000) 1.303 10.986 ( -0.940 -0.736 0.000) 1.194 11.098 ( 0.425 0.054 0.000) 0.428 11.109 ( 0.764 -0.381 0.000) 0.854 11.136 ( 1.783 0.257 0.000) 1.801 11.149 ( -0.845 -0.311 0.000) 0.900 11.159 ( -0.713 -0.194 0.000) 0.739 11.181 ( 0.475 -0.447 0.000) 0.652 11.207 ( -0.238 -0.325 0.000) 0.403 11.213 ( 1.085 -1.933 0.000) 2.216 ======================= Grid point 7 (6/24) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 3.016 0.429 0.000) 3.046 0.465 ( 4.517 1.332 0.000) 4.709 0.514 ( 0.747 -0.849 0.000) 1.131 0.557 ( -3.984 2.330 0.000) 4.616 0.594 ( 7.678 5.841 0.000) 9.647 0.662 ( 4.519 2.930 0.000) 5.386 0.668 ( 0.038 5.020 0.000) 5.020 0.715 ( 4.285 2.370 0.000) 4.897 0.755 ( -4.580 3.383 0.000) 5.693 0.760 ( 4.370 5.494 0.000) 7.020 0.776 ( -4.866 3.362 0.000) 5.915 0.798 ( 2.720 1.147 0.000) 2.952 0.806 ( -6.445 0.812 0.000) 6.496 0.847 ( -1.615 4.129 0.000) 4.433 0.878 ( -4.762 3.977 0.000) 6.205 0.924 ( -6.794 3.002 0.000) 7.428 0.961 ( -1.303 0.957 0.000) 1.617 0.987 ( -3.720 1.222 0.000) 3.916 1.017 ( 0.066 2.401 0.000) 2.402 1.034 ( -1.782 1.851 0.000) 2.569 1.080 ( 10.057 4.902 0.000) 11.188 1.129 ( 7.898 2.314 0.000) 8.230 1.150 ( 5.633 1.223 0.000) 5.764 1.205 ( -3.114 -1.409 0.000) 3.418 1.234 ( 5.739 2.544 0.000) 6.278 1.287 ( -1.477 2.182 0.000) 2.635 1.309 ( -5.833 2.713 0.000) 6.433 1.337 ( 4.422 0.959 0.000) 4.524 1.363 ( -1.708 0.098 0.000) 1.711 1.387 ( 4.121 0.476 0.000) 4.148 1.396 ( -3.370 -0.869 0.000) 3.480 1.430 ( -3.540 0.329 0.000) 3.555 1.465 ( -2.850 0.932 0.000) 2.998 1.487 ( 7.128 5.061 0.000) 8.742 1.500 ( 6.180 -1.794 0.000) 6.435 1.531 ( -4.393 0.546 0.000) 4.427 1.567 ( 0.004 -2.515 0.000) 2.515 1.589 ( 4.292 -3.502 0.000) 5.539 1.597 ( 2.144 0.540 0.000) 2.210 1.619 ( -3.837 3.089 0.000) 4.926 1.628 ( 3.066 -2.465 0.000) 3.934 1.640 ( 1.289 -2.253 0.000) 2.595 1.670 ( -1.222 0.493 0.000) 1.317 1.680 ( 1.451 -0.987 0.000) 1.755 1.698 ( -0.503 -0.755 0.000) 0.907 1.717 ( -0.122 -0.774 0.000) 0.784 1.719 ( -3.555 -1.922 0.000) 4.042 1.722 ( -2.479 -1.701 0.000) 3.007 1.750 ( 1.371 -0.738 0.000) 1.557 1.762 ( -0.153 -1.491 0.000) 1.498 1.769 ( -0.327 -1.694 0.000) 1.726 1.773 ( 0.765 -0.782 0.000) 1.094 2.209 ( 3.093 2.907 0.000) 4.244 2.225 ( 1.103 -1.766 0.000) 2.082 2.241 ( -1.662 -0.460 0.000) 1.725 2.276 ( -0.336 2.075 0.000) 2.102 2.307 ( -1.051 1.001 0.000) 1.451 2.326 ( -0.161 0.899 0.000) 0.913 2.365 ( -1.767 2.461 0.000) 3.030 2.394 ( -5.254 2.942 0.000) 6.022 2.611 ( -1.112 -1.275 0.000) 1.692 2.634 ( -3.948 -4.024 0.000) 5.637 2.682 ( 2.213 2.904 0.000) 3.651 2.713 ( -1.243 2.699 0.000) 2.971 2.833 ( -0.174 -2.700 0.000) 2.705 2.848 ( -2.017 -1.760 0.000) 2.677 2.870 ( 1.630 -4.402 0.000) 4.694 2.895 ( -1.195 -1.201 0.000) 1.694 2.971 ( 2.621 -0.037 0.000) 2.621 3.024 ( -2.507 -4.273 0.000) 4.954 3.117 ( 0.081 -2.144 0.000) 2.146 3.131 ( -2.293 -1.280 0.000) 2.626 3.210 ( 1.541 -5.782 0.000) 5.984 3.243 ( -1.360 -5.848 0.000) 6.004 3.301 ( 1.407 -3.425 0.000) 3.703 3.309 ( 0.926 -7.569 0.000) 7.625 3.317 ( 3.663 1.869 0.000) 4.112 3.382 ( -2.653 -0.642 0.000) 2.729 3.437 ( 1.866 -0.712 0.000) 1.997 3.478 ( -2.498 -0.372 0.000) 2.526 3.498 ( 1.957 -1.617 0.000) 2.538 3.526 ( -0.206 -3.710 0.000) 3.716 3.561 ( 0.274 -0.885 0.000) 0.927 3.563 ( -0.446 1.447 0.000) 1.514 3.572 ( 0.215 0.848 0.000) 0.874 3.609 ( -2.248 -0.672 0.000) 2.346 3.635 ( 3.490 0.224 0.000) 3.497 3.689 ( -0.953 1.670 0.000) 1.923 3.704 ( -2.827 0.026 0.000) 2.827 3.719 ( -1.805 1.332 0.000) 2.243 3.818 ( 0.877 -1.090 0.000) 1.398 3.838 ( -0.574 0.567 0.000) 0.807 3.884 ( 4.446 -1.181 0.000) 4.600 3.900 ( 2.069 -4.237 0.000) 4.716 3.968 ( 0.168 -0.433 0.000) 0.465 3.999 ( -4.171 0.906 0.000) 4.268 4.008 ( -2.733 -1.037 0.000) 2.923 4.032 ( -3.277 -1.124 0.000) 3.464 4.056 ( 1.993 1.087 0.000) 2.270 4.069 ( 0.370 0.095 0.000) 0.382 4.173 ( 0.341 5.700 0.000) 5.711 4.206 ( -2.681 5.178 0.000) 5.831 4.271 ( 5.340 -1.974 0.000) 5.693 4.304 ( 2.223 7.236 0.000) 7.570 4.309 ( 2.232 2.170 0.000) 3.113 4.344 ( -0.986 1.442 0.000) 1.747 4.356 ( 2.197 -1.012 0.000) 2.419 4.371 ( 0.528 0.987 0.000) 1.119 4.374 ( -1.492 -1.930 0.000) 2.439 4.411 ( -1.765 -0.968 0.000) 2.013 4.441 ( 0.054 1.059 0.000) 1.060 4.445 ( 1.580 -1.184 0.000) 1.974 4.507 ( 3.109 0.460 0.000) 3.143 4.523 ( 3.559 -0.914 0.000) 3.674 4.538 ( 1.398 1.035 0.000) 1.739 4.545 ( -1.075 -2.670 0.000) 2.878 4.582 ( -2.966 1.018 0.000) 3.136 4.583 ( 2.602 -0.461 0.000) 2.643 4.628 ( -1.933 -1.333 0.000) 2.348 4.652 ( -4.056 1.751 0.000) 4.418 4.657 ( -1.099 -2.886 0.000) 3.089 4.674 ( -1.121 -2.924 0.000) 3.132 4.708 ( -5.070 1.559 0.000) 5.305 4.709 ( -4.272 1.172 0.000) 4.430 4.894 ( 6.801 1.039 0.000) 6.880 4.907 ( 6.391 3.451 0.000) 7.264 4.979 ( 2.880 0.294 0.000) 2.895 5.012 ( 3.744 -0.091 0.000) 3.745 5.037 ( 3.509 2.094 0.000) 4.086 5.046 ( -5.910 -1.206 0.000) 6.032 5.077 ( 0.744 -0.430 0.000) 0.860 5.096 ( -4.361 0.632 0.000) 4.407 5.156 ( 6.322 1.609 0.000) 6.524 5.222 ( 3.491 0.411 0.000) 3.515 5.228 ( 0.180 -0.012 0.000) 0.180 5.309 ( 3.664 3.841 0.000) 5.308 5.321 ( -1.068 5.344 0.000) 5.450 5.342 ( -0.827 3.455 0.000) 3.553 5.349 ( 0.264 4.096 0.000) 4.104 5.406 ( -2.717 6.136 0.000) 6.711 5.452 ( -2.562 0.485 0.000) 2.607 5.456 ( -4.714 4.494 0.000) 6.513 5.502 ( -2.804 0.099 0.000) 2.806 5.531 ( -5.097 0.768 0.000) 5.155 5.607 ( 4.333 1.028 0.000) 4.454 5.623 ( 6.816 0.544 0.000) 6.837 5.675 ( -2.838 0.360 0.000) 2.860 5.679 ( -0.503 -0.340 0.000) 0.607 5.772 ( 0.513 -0.186 0.000) 0.546 5.863 ( -6.774 -0.709 0.000) 6.811 5.875 ( 5.136 -0.397 0.000) 5.151 5.929 ( 1.631 -1.545 0.000) 2.247 5.951 ( -2.121 -0.402 0.000) 2.159 5.977 ( -1.261 -0.977 0.000) 1.595 6.017 ( 1.060 0.933 0.000) 1.412 6.076 ( 1.485 -0.975 0.000) 1.777 6.083 ( -4.093 -1.728 0.000) 4.443 6.107 ( -1.409 -0.062 0.000) 1.410 6.136 ( 1.559 0.261 0.000) 1.581 6.165 ( -3.181 -0.507 0.000) 3.221 6.286 ( 1.174 -0.923 0.000) 1.493 6.297 ( -0.272 0.780 0.000) 0.826 6.328 ( 1.972 -2.646 0.000) 3.300 6.362 ( 1.275 -3.297 0.000) 3.535 6.378 ( 1.281 -4.278 0.000) 4.465 6.385 ( 1.390 -1.075 0.000) 1.757 6.394 ( -0.240 -2.545 0.000) 2.556 6.444 ( -3.001 -3.559 0.000) 4.655 6.498 ( 0.712 -1.105 0.000) 1.315 6.516 ( -1.009 -1.183 0.000) 1.555 6.576 ( 3.805 -3.023 0.000) 4.860 6.640 ( -1.919 1.275 0.000) 2.304 6.790 ( -0.214 0.159 0.000) 0.266 6.805 ( -0.632 -0.759 0.000) 0.988 6.823 ( -1.117 0.219 0.000) 1.139 6.852 ( -6.428 -3.872 0.000) 7.504 9.482 ( 1.754 0.616 0.000) 1.859 9.488 ( 2.102 0.566 0.000) 2.177 9.522 ( -2.270 0.045 0.000) 2.271 9.532 ( -2.200 -0.094 0.000) 2.202 9.564 ( 0.430 0.297 0.000) 0.522 9.567 ( 0.549 0.210 0.000) 0.587 9.577 ( -0.986 -0.026 0.000) 0.987 9.585 ( -1.558 0.194 0.000) 1.570 9.798 ( 1.324 0.921 0.000) 1.613 9.804 ( 2.091 0.793 0.000) 2.236 9.824 ( -1.321 0.367 0.000) 1.371 9.831 ( 2.500 0.059 0.000) 2.500 9.836 ( 2.263 0.174 0.000) 2.270 9.854 ( -2.874 -0.181 0.000) 2.880 9.876 ( -1.936 -0.168 0.000) 1.944 9.879 ( -2.234 -0.318 0.000) 2.256 10.318 ( 1.749 0.819 0.000) 1.931 10.322 ( 1.885 0.907 0.000) 2.092 10.350 ( -1.198 1.012 0.000) 1.569 10.355 ( -1.096 0.955 0.000) 1.453 10.430 ( 1.504 0.372 0.000) 1.550 10.441 ( 0.432 0.004 0.000) 0.432 10.462 ( -0.973 0.323 0.000) 1.025 10.463 ( -1.411 0.654 0.000) 1.555 10.928 ( 0.099 0.147 0.000) 0.177 10.929 ( 0.164 0.101 0.000) 0.192 10.930 ( -0.055 0.471 0.000) 0.474 10.933 ( -0.195 0.403 0.000) 0.448 10.962 ( 0.637 -1.029 0.000) 1.210 10.973 ( -0.438 -1.352 0.000) 1.421 10.978 ( 0.509 -1.302 0.000) 1.398 10.981 ( 0.243 -1.387 0.000) 1.408 11.110 ( 0.893 -0.098 0.000) 0.898 11.124 ( 0.892 -0.295 0.000) 0.940 11.130 ( -1.075 -0.302 0.000) 1.117 11.142 ( -0.984 -0.253 0.000) 1.016 11.168 ( 1.296 -0.180 0.000) 1.309 11.184 ( -0.321 -0.532 0.000) 0.621 11.206 ( 0.306 -0.133 0.000) 0.334 11.216 ( -0.459 -0.862 0.000) 0.977 ======================= Grid point 10 (7/24) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 10.842 0.000) 10.842 0.477 ( 0.000 6.908 0.000) 6.908 0.571 ( 0.000 -0.217 0.000) 0.217 0.580 ( 0.000 4.179 0.000) 4.179 0.624 ( 0.000 10.958 0.000) 10.958 0.681 ( 0.000 -0.102 0.000) 0.102 0.731 ( 0.000 -3.212 0.000) 3.212 0.761 ( 0.000 6.677 0.000) 6.677 0.787 ( 0.000 7.373 0.000) 7.373 0.803 ( 0.000 0.028 0.000) 0.028 0.816 ( 0.000 -5.567 0.000) 5.567 0.913 ( 0.000 -4.100 0.000) 4.100 0.962 ( 0.000 3.125 0.000) 3.125 0.970 ( 0.000 0.916 0.000) 0.916 0.999 ( 0.000 7.758 0.000) 7.758 1.005 ( 0.000 -2.483 0.000) 2.483 1.028 ( 0.000 1.112 0.000) 1.112 1.056 ( 0.000 3.763 0.000) 3.763 1.068 ( 0.000 2.930 0.000) 2.930 1.115 ( 0.000 4.122 0.000) 4.122 1.128 ( 0.000 3.021 0.000) 3.021 1.159 ( 0.000 3.641 0.000) 3.641 1.211 ( 0.000 3.430 0.000) 3.430 1.211 ( 0.000 2.342 0.000) 2.342 1.228 ( 0.000 4.674 0.000) 4.674 1.280 ( 0.000 4.102 0.000) 4.102 1.333 ( 0.000 -5.550 0.000) 5.550 1.349 ( 0.000 -2.398 0.000) 2.398 1.403 ( 0.000 -4.332 0.000) 4.332 1.414 ( 0.000 -0.942 0.000) 0.942 1.445 ( 0.000 12.651 0.000) 12.651 1.459 ( 0.000 -0.624 0.000) 0.624 1.486 ( 0.000 6.435 0.000) 6.435 1.496 ( 0.000 6.632 0.000) 6.632 1.497 ( 0.000 -0.336 0.000) 0.336 1.522 ( 0.000 2.319 0.000) 2.319 1.538 ( 0.000 -2.562 0.000) 2.562 1.548 ( 0.000 11.078 0.000) 11.078 1.572 ( 0.000 1.056 0.000) 1.056 1.595 ( 0.000 2.179 0.000) 2.179 1.636 ( 0.000 3.052 0.000) 3.052 1.662 ( 0.000 3.764 0.000) 3.764 1.663 ( 0.000 -4.308 0.000) 4.308 1.679 ( 0.000 -0.150 0.000) 0.150 1.704 ( 0.000 -2.312 0.000) 2.312 1.721 ( 0.000 -1.130 0.000) 1.130 1.723 ( 0.000 0.326 0.000) 0.326 1.725 ( 0.000 3.440 0.000) 3.440 1.726 ( 0.000 2.756 0.000) 2.756 1.749 ( 0.000 3.108 0.000) 3.108 1.751 ( 0.000 0.064 0.000) 0.064 1.788 ( 0.000 1.049 0.000) 1.049 2.175 ( 0.000 -3.988 0.000) 3.988 2.212 ( 0.000 -4.104 0.000) 4.104 2.228 ( 0.000 -5.022 0.000) 5.022 2.244 ( 0.000 -1.983 0.000) 1.983 2.250 ( 0.000 -3.760 0.000) 3.760 2.255 ( 0.000 -4.642 0.000) 4.642 2.316 ( 0.000 -4.521 0.000) 4.521 2.439 ( 0.000 -5.311 0.000) 5.311 2.728 ( 0.000 5.485 0.000) 5.485 2.736 ( 0.000 1.792 0.000) 1.792 2.740 ( 0.000 -3.184 0.000) 3.184 2.743 ( 0.000 0.439 0.000) 0.439 2.795 ( 0.000 -3.806 0.000) 3.806 2.801 ( 0.000 -1.336 0.000) 1.336 2.845 ( 0.000 2.457 0.000) 2.457 2.963 ( 0.000 0.684 0.000) 0.684 3.000 ( 0.000 -2.310 0.000) 2.310 3.014 ( 0.000 -4.327 0.000) 4.327 3.073 ( 0.000 1.573 0.000) 1.573 3.126 ( 0.000 -1.951 0.000) 1.951 3.143 ( 0.000 -3.312 0.000) 3.312 3.186 ( 0.000 -3.027 0.000) 3.027 3.204 ( 0.000 -0.064 0.000) 0.064 3.218 ( 0.000 1.200 0.000) 1.200 3.238 ( 0.000 0.723 0.000) 0.723 3.292 ( 0.000 -5.460 0.000) 5.460 3.394 ( 0.000 1.225 0.000) 1.225 3.420 ( 0.000 -2.631 0.000) 2.631 3.458 ( 0.000 -2.596 0.000) 2.596 3.466 ( 0.000 -6.006 0.000) 6.006 3.551 ( 0.000 -0.446 0.000) 0.446 3.555 ( 0.000 0.744 0.000) 0.744 3.588 ( 0.000 -0.671 0.000) 0.671 3.631 ( 0.000 -2.964 0.000) 2.964 3.649 ( 0.000 0.954 0.000) 0.954 3.662 ( 0.000 -3.632 0.000) 3.632 3.705 ( 0.000 -1.466 0.000) 1.466 3.718 ( 0.000 -4.699 0.000) 4.699 3.782 ( 0.000 1.039 0.000) 1.039 3.824 ( 0.000 -2.418 0.000) 2.418 3.849 ( 0.000 -0.794 0.000) 0.794 3.853 ( 0.000 -1.766 0.000) 1.766 3.894 ( 0.000 2.110 0.000) 2.110 3.900 ( 0.000 -2.613 0.000) 2.613 3.913 ( 0.000 -5.000 0.000) 5.000 4.108 ( 0.000 0.994 0.000) 0.994 4.124 ( 0.000 0.560 0.000) 0.560 4.145 ( 0.000 7.183 0.000) 7.183 4.175 ( 0.000 1.190 0.000) 1.190 4.183 ( 0.000 -2.448 0.000) 2.448 4.183 ( 0.000 -0.618 0.000) 0.618 4.238 ( 0.000 -1.770 0.000) 1.770 4.247 ( 0.000 -5.786 0.000) 5.786 4.249 ( 0.000 1.166 0.000) 1.166 4.329 ( 0.000 -1.766 0.000) 1.766 4.334 ( 0.000 -1.439 0.000) 1.439 4.352 ( 0.000 2.155 0.000) 2.155 4.391 ( 0.000 1.189 0.000) 1.189 4.392 ( 0.000 -1.083 0.000) 1.083 4.456 ( 0.000 3.667 0.000) 3.667 4.474 ( 0.000 1.654 0.000) 1.654 4.476 ( 0.000 0.075 0.000) 0.075 4.539 ( 0.000 -4.873 0.000) 4.873 4.557 ( 0.000 1.377 0.000) 1.377 4.612 ( 0.000 1.000 0.000) 1.000 4.694 ( 0.000 3.290 0.000) 3.290 4.709 ( 0.000 -3.865 0.000) 3.865 4.715 ( 0.000 1.099 0.000) 1.099 4.743 ( 0.000 0.326 0.000) 0.326 4.746 ( 0.000 2.017 0.000) 2.017 4.757 ( 0.000 3.093 0.000) 3.093 4.835 ( 0.000 2.251 0.000) 2.251 4.870 ( 0.000 0.940 0.000) 0.940 4.907 ( 0.000 6.735 0.000) 6.735 4.917 ( 0.000 0.312 0.000) 0.312 4.946 ( 0.000 2.224 0.000) 2.224 5.041 ( 0.000 0.788 0.000) 0.788 5.099 ( 0.000 5.027 0.000) 5.027 5.142 ( 0.000 3.748 0.000) 3.748 5.165 ( 0.000 4.677 0.000) 4.677 5.201 ( 0.000 -0.947 0.000) 0.947 5.225 ( 0.000 6.763 0.000) 6.763 5.239 ( 0.000 6.206 0.000) 6.206 5.322 ( 0.000 3.812 0.000) 3.812 5.341 ( 0.000 6.844 0.000) 6.844 5.373 ( 0.000 4.953 0.000) 4.953 5.454 ( 0.000 4.627 0.000) 4.627 5.489 ( 0.000 4.704 0.000) 4.704 5.543 ( 0.000 2.527 0.000) 2.527 5.571 ( 0.000 -1.948 0.000) 1.948 5.582 ( 0.000 -1.483 0.000) 1.483 5.606 ( 0.000 -2.487 0.000) 2.487 5.622 ( 0.000 -0.071 0.000) 0.071 5.645 ( 0.000 2.021 0.000) 2.021 5.658 ( 0.000 2.583 0.000) 2.583 5.665 ( 0.000 -2.933 0.000) 2.933 5.838 ( 0.000 -0.884 0.000) 0.884 5.840 ( 0.000 0.691 0.000) 0.691 5.854 ( 0.000 0.526 0.000) 0.526 5.904 ( 0.000 0.213 0.000) 0.213 5.928 ( 0.000 -0.382 0.000) 0.382 5.997 ( 0.000 -0.509 0.000) 0.509 6.016 ( 0.000 -2.814 0.000) 2.814 6.048 ( 0.000 -1.055 0.000) 1.055 6.095 ( 0.000 -1.558 0.000) 1.558 6.126 ( 0.000 -1.935 0.000) 1.935 6.131 ( 0.000 -1.724 0.000) 1.724 6.162 ( 0.000 1.086 0.000) 1.086 6.208 ( 0.000 -5.972 0.000) 5.972 6.208 ( 0.000 -3.123 0.000) 3.123 6.230 ( 0.000 -3.039 0.000) 3.039 6.260 ( 0.000 -4.473 0.000) 4.473 6.347 ( 0.000 1.829 0.000) 1.829 6.349 ( 0.000 -4.006 0.000) 4.006 6.354 ( 0.000 1.349 0.000) 1.349 6.398 ( 0.000 -6.442 0.000) 6.442 6.449 ( 0.000 0.239 0.000) 0.239 6.516 ( 0.000 -3.656 0.000) 3.656 6.644 ( 0.000 -10.434 0.000) 10.434 6.712 ( 0.000 3.382 0.000) 3.382 6.730 ( 0.000 2.983 0.000) 2.983 6.815 ( 0.000 0.268 0.000) 0.268 6.844 ( 0.000 -0.877 0.000) 0.877 6.857 ( 0.000 -12.122 0.000) 12.122 9.476 ( 0.000 1.637 0.000) 1.637 9.478 ( 0.000 1.595 0.000) 1.595 9.555 ( 0.000 -0.836 0.000) 0.836 9.558 ( 0.000 -0.764 0.000) 0.764 9.567 ( 0.000 0.487 0.000) 0.487 9.572 ( 0.000 0.743 0.000) 0.743 9.604 ( 0.000 -1.223 0.000) 1.223 9.632 ( 0.000 -1.363 0.000) 1.363 9.778 ( 0.000 1.195 0.000) 1.195 9.789 ( 0.000 1.405 0.000) 1.405 9.806 ( 0.000 1.413 0.000) 1.413 9.814 ( 0.000 1.628 0.000) 1.628 9.844 ( 0.000 -0.689 0.000) 0.689 9.896 ( 0.000 -2.569 0.000) 2.569 9.899 ( 0.000 -1.048 0.000) 1.048 9.902 ( 0.000 -0.914 0.000) 0.914 10.285 ( 0.000 0.286 0.000) 0.286 10.286 ( 0.000 0.347 0.000) 0.347 10.307 ( 0.000 -0.332 0.000) 0.332 10.309 ( 0.000 -0.272 0.000) 0.272 10.499 ( 0.000 2.313 0.000) 2.313 10.500 ( 0.000 1.304 0.000) 1.304 10.508 ( 0.000 1.521 0.000) 1.521 10.544 ( 0.000 0.588 0.000) 0.588 10.923 ( 0.000 -0.653 0.000) 0.653 10.925 ( 0.000 -0.882 0.000) 0.882 10.929 ( 0.000 -0.729 0.000) 0.729 10.931 ( 0.000 -1.109 0.000) 1.109 10.935 ( 0.000 0.688 0.000) 0.688 10.937 ( 0.000 0.676 0.000) 0.676 10.967 ( 0.000 0.366 0.000) 0.366 10.993 ( 0.000 -1.011 0.000) 1.011 11.098 ( 0.000 0.550 0.000) 0.550 11.100 ( 0.000 0.542 0.000) 0.542 11.128 ( 0.000 0.586 0.000) 0.586 11.155 ( 0.000 -0.254 0.000) 0.254 11.158 ( 0.000 -0.846 0.000) 0.846 11.162 ( 0.000 -0.493 0.000) 0.493 11.167 ( 0.000 -0.835 0.000) 0.835 11.187 ( 0.000 -1.587 0.000) 1.587 ======================= Grid point 11 (8/24) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -1.047 3.414 0.000) 3.571 0.504 ( -2.849 2.230 0.000) 3.618 0.517 ( 2.991 6.780 0.000) 7.410 0.639 ( -5.110 -1.928 0.000) 5.462 0.646 ( 2.703 8.976 0.000) 9.375 0.668 ( 5.509 2.660 0.000) 6.118 0.721 ( -3.889 -2.861 0.000) 4.829 0.727 ( 0.546 5.748 0.000) 5.774 0.749 ( 3.918 3.291 0.000) 5.117 0.831 ( 3.094 7.870 0.000) 8.456 0.862 ( -1.338 0.298 0.000) 1.371 0.921 ( -2.698 0.936 0.000) 2.856 0.958 ( -2.919 0.788 0.000) 3.023 0.988 ( 1.355 -1.953 0.000) 2.377 0.991 ( 0.855 3.996 0.000) 4.086 1.035 ( 2.968 0.400 0.000) 2.995 1.037 ( -0.900 1.374 0.000) 1.643 1.060 ( 1.068 5.859 0.000) 5.955 1.070 ( -1.498 4.429 0.000) 4.676 1.083 ( 1.433 1.641 0.000) 2.179 1.127 ( -1.955 2.662 0.000) 3.303 1.147 ( 2.430 6.244 0.000) 6.700 1.160 ( -4.374 4.332 0.000) 6.156 1.222 ( -0.302 0.109 0.000) 0.321 1.264 ( 2.829 -0.443 0.000) 2.863 1.280 ( 0.288 4.334 0.000) 4.344 1.314 ( -3.115 4.332 0.000) 5.336 1.338 ( 1.549 -1.913 0.000) 2.462 1.381 ( -1.772 -0.455 0.000) 1.830 1.392 ( 0.534 -2.512 0.000) 2.568 1.431 ( -0.757 2.974 0.000) 3.069 1.451 ( -1.661 4.570 0.000) 4.862 1.459 ( -1.087 -1.149 0.000) 1.582 1.503 ( -3.458 -0.713 0.000) 3.531 1.518 ( 3.114 -1.416 0.000) 3.421 1.535 ( -0.823 1.405 0.000) 1.628 1.537 ( 2.967 2.784 0.000) 4.069 1.562 ( -1.576 4.743 0.000) 4.998 1.591 ( 1.254 1.500 0.000) 1.955 1.613 ( -0.462 4.721 0.000) 4.743 1.629 ( 1.961 4.386 0.000) 4.804 1.642 ( -0.068 -0.209 0.000) 0.220 1.659 ( -0.994 -1.065 0.000) 1.457 1.680 ( 0.370 -1.829 0.000) 1.866 1.693 ( 1.275 -2.298 0.000) 2.628 1.703 ( 0.130 1.962 0.000) 1.967 1.707 ( -0.406 0.292 0.000) 0.500 1.722 ( -2.724 0.355 0.000) 2.747 1.737 ( -0.670 0.072 0.000) 0.674 1.772 ( 0.853 1.064 0.000) 1.364 1.782 ( 0.769 1.627 0.000) 1.799 1.786 ( -2.097 -0.510 0.000) 2.158 2.150 ( 1.333 -1.055 0.000) 1.700 2.168 ( 0.196 -2.368 0.000) 2.376 2.220 ( 0.581 -2.231 0.000) 2.305 2.257 ( 2.629 0.022 0.000) 2.629 2.305 ( 4.549 -3.585 0.000) 5.792 2.330 ( 1.419 -2.610 0.000) 2.971 2.343 ( 1.410 -2.852 0.000) 3.182 2.449 ( -0.043 -3.307 0.000) 3.307 2.652 ( -4.675 -0.950 0.000) 4.770 2.674 ( -4.281 -2.616 0.000) 5.017 2.686 ( -2.770 -1.246 0.000) 3.037 2.751 ( -4.480 -3.437 0.000) 5.647 2.784 ( -1.786 -3.623 0.000) 4.039 2.792 ( 1.320 1.679 0.000) 2.136 2.855 ( -2.603 0.983 0.000) 2.782 2.940 ( -4.933 -6.672 0.000) 8.297 2.972 ( -0.679 1.904 0.000) 2.022 2.978 ( -3.636 -0.624 0.000) 3.689 3.047 ( -0.324 -3.577 0.000) 3.591 3.073 ( -1.614 -4.252 0.000) 4.548 3.137 ( -0.067 -4.348 0.000) 4.348 3.183 ( -1.719 -1.364 0.000) 2.194 3.213 ( 0.742 2.759 0.000) 2.857 3.237 ( 0.809 -1.242 0.000) 1.482 3.274 ( 5.375 2.349 0.000) 5.866 3.342 ( 5.338 -0.746 0.000) 5.390 3.414 ( 1.235 1.064 0.000) 1.630 3.422 ( 0.741 -1.894 0.000) 2.034 3.462 ( -1.157 -3.413 0.000) 3.604 3.478 ( 0.933 -1.949 0.000) 2.161 3.535 ( -2.292 -1.393 0.000) 2.682 3.560 ( 0.922 0.121 0.000) 0.930 3.596 ( 1.199 -0.940 0.000) 1.523 3.635 ( -1.793 0.690 0.000) 1.921 3.650 ( -0.566 -1.027 0.000) 1.173 3.711 ( 0.915 -1.512 0.000) 1.767 3.712 ( 3.492 -2.451 0.000) 4.266 3.763 ( -1.718 -1.114 0.000) 2.048 3.769 ( 5.176 -0.362 0.000) 5.188 3.770 ( -1.669 -0.743 0.000) 1.827 3.823 ( -0.849 -0.663 0.000) 1.077 3.839 ( -0.463 -1.455 0.000) 1.527 3.946 ( 2.544 -1.006 0.000) 2.736 3.982 ( 4.225 -2.760 0.000) 5.047 3.993 ( 7.677 -1.139 0.000) 7.761 4.094 ( -1.469 1.228 0.000) 1.915 4.096 ( -1.833 0.528 0.000) 1.907 4.132 ( -3.898 -0.632 0.000) 3.949 4.140 ( -0.936 3.113 0.000) 3.250 4.201 ( 2.276 -1.698 0.000) 2.840 4.218 ( 2.942 0.703 0.000) 3.025 4.261 ( 3.978 0.323 0.000) 3.991 4.283 ( 1.852 -3.387 0.000) 3.860 4.294 ( 3.912 0.505 0.000) 3.944 4.319 ( -0.642 2.121 0.000) 2.216 4.358 ( 2.506 -1.821 0.000) 3.098 4.363 ( 1.069 -0.659 0.000) 1.256 4.399 ( 0.980 0.252 0.000) 1.012 4.437 ( 2.632 0.450 0.000) 2.671 4.447 ( -0.653 3.634 0.000) 3.692 4.468 ( 0.733 -1.531 0.000) 1.697 4.486 ( 0.968 -0.071 0.000) 0.971 4.492 ( -2.988 -2.014 0.000) 3.604 4.569 ( -0.252 -2.030 0.000) 2.046 4.586 ( -1.473 2.131 0.000) 2.591 4.664 ( -3.429 0.082 0.000) 3.430 4.683 ( -4.052 3.306 0.000) 5.230 4.687 ( -0.708 3.048 0.000) 3.129 4.688 ( -4.887 -0.106 0.000) 4.888 4.736 ( -0.736 -1.451 0.000) 1.627 4.798 ( 2.804 1.138 0.000) 3.026 4.832 ( -3.526 -0.791 0.000) 3.614 4.853 ( -2.021 2.043 0.000) 2.874 4.877 ( -1.020 -0.499 0.000) 1.135 4.900 ( 1.443 4.923 0.000) 5.130 5.028 ( -0.766 2.669 0.000) 2.777 5.028 ( 7.133 3.617 0.000) 7.997 5.088 ( -2.121 4.305 0.000) 4.799 5.120 ( -1.489 0.743 0.000) 1.664 5.154 ( 0.126 1.902 0.000) 1.906 5.177 ( 2.229 5.790 0.000) 6.204 5.266 ( -0.383 6.401 0.000) 6.412 5.282 ( -1.305 6.605 0.000) 6.732 5.350 ( 4.630 1.765 0.000) 4.955 5.373 ( 5.495 3.346 0.000) 6.433 5.420 ( 2.571 6.642 0.000) 7.122 5.454 ( 0.036 0.630 0.000) 0.631 5.508 ( 0.179 3.193 0.000) 3.198 5.518 ( -1.084 3.402 0.000) 3.570 5.526 ( -4.414 -1.645 0.000) 4.710 5.560 ( -2.332 -2.677 0.000) 3.550 5.577 ( -2.185 -1.279 0.000) 2.532 5.601 ( -3.384 2.197 0.000) 4.035 5.625 ( 0.708 3.778 0.000) 3.844 5.656 ( 0.517 0.900 0.000) 1.038 5.683 ( 0.707 -1.799 0.000) 1.933 5.812 ( -2.415 1.538 0.000) 2.863 5.830 ( 0.774 1.348 0.000) 1.554 5.889 ( 1.406 0.789 0.000) 1.613 5.909 ( 3.207 -0.822 0.000) 3.311 5.964 ( 0.464 -1.620 0.000) 1.685 5.988 ( -5.447 -1.032 0.000) 5.544 6.012 ( 0.321 -2.293 0.000) 2.315 6.019 ( 1.252 -0.922 0.000) 1.555 6.093 ( -0.171 -1.066 0.000) 1.079 6.124 ( -1.529 -0.205 0.000) 1.543 6.152 ( -0.454 0.556 0.000) 0.718 6.154 ( -2.700 -6.339 0.000) 6.890 6.175 ( 3.500 -2.583 0.000) 4.350 6.224 ( 1.555 -2.736 0.000) 3.147 6.247 ( 1.016 -2.823 0.000) 3.000 6.280 ( 0.549 -4.364 0.000) 4.398 6.331 ( -1.761 -4.108 0.000) 4.469 6.359 ( 0.846 0.779 0.000) 1.150 6.360 ( 0.481 1.127 0.000) 1.226 6.414 ( 1.669 -5.869 0.000) 6.102 6.431 ( -1.697 -1.292 0.000) 2.133 6.488 ( -2.228 -3.124 0.000) 3.837 6.546 ( -5.822 -4.472 0.000) 7.341 6.704 ( -3.334 -0.994 0.000) 3.479 6.765 ( 2.230 -0.546 0.000) 2.296 6.813 ( -0.332 0.512 0.000) 0.611 6.824 ( -1.966 -6.416 0.000) 6.711 6.839 ( -0.451 -0.486 0.000) 0.663 9.481 ( 0.584 1.419 0.000) 1.535 9.483 ( 0.618 1.370 0.000) 1.503 9.547 ( -0.921 -0.683 0.000) 1.146 9.551 ( -0.776 -0.726 0.000) 1.063 9.567 ( 0.066 0.390 0.000) 0.396 9.571 ( -0.034 0.653 0.000) 0.654 9.592 ( -0.987 -0.615 0.000) 1.163 9.616 ( -1.438 -0.726 0.000) 1.611 9.794 ( 1.382 0.868 0.000) 1.632 9.802 ( 1.076 1.255 0.000) 1.653 9.812 ( 0.772 1.207 0.000) 1.433 9.817 ( 0.478 1.456 0.000) 1.533 9.841 ( -0.373 -0.390 0.000) 0.540 9.879 ( -1.402 -1.496 0.000) 2.051 9.892 ( -0.769 -0.883 0.000) 1.170 9.895 ( -0.808 -0.971 0.000) 1.263 10.299 ( 1.506 0.522 0.000) 1.594 10.302 ( 1.612 0.573 0.000) 1.711 10.332 ( 2.179 -0.476 0.000) 2.230 10.334 ( 2.160 -0.445 0.000) 2.206 10.475 ( -1.949 2.123 0.000) 2.882 10.483 ( -1.735 1.233 0.000) 2.128 10.499 ( -1.092 1.114 0.000) 1.560 10.519 ( -2.169 0.825 0.000) 2.321 10.923 ( -0.059 -0.654 0.000) 0.657 10.924 ( -0.191 -0.518 0.000) 0.552 10.929 ( 0.485 -0.723 0.000) 0.871 10.935 ( 0.475 -0.824 0.000) 0.951 10.942 ( 0.389 0.267 0.000) 0.472 10.948 ( 0.661 -0.192 0.000) 0.688 10.958 ( -0.792 0.206 0.000) 0.818 10.973 ( -1.446 -0.488 0.000) 1.526 11.100 ( 0.209 0.257 0.000) 0.331 11.104 ( 0.447 0.014 0.000) 0.447 11.140 ( -0.935 -0.617 0.000) 1.121 11.143 ( 1.295 0.393 0.000) 1.354 11.150 ( -0.883 -0.737 0.000) 1.150 11.171 ( 0.505 -0.483 0.000) 0.699 11.182 ( 1.066 -1.140 0.000) 1.561 11.192 ( 0.290 -1.075 0.000) 1.113 ======================= Grid point 12 (9/24) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.041 -0.733 0.000) 0.734 0.488 ( -4.251 -1.770 0.000) 4.605 0.502 ( 2.215 1.392 0.000) 2.617 0.560 ( -3.464 -1.323 0.000) 3.708 0.720 ( 3.973 5.931 0.000) 7.139 0.750 ( 3.585 4.050 0.000) 5.409 0.756 ( 4.287 5.754 0.000) 7.176 0.779 ( 5.130 2.803 0.000) 5.846 0.820 ( -0.764 2.517 0.000) 2.630 0.836 ( 1.945 2.541 0.000) 3.200 0.846 ( -5.265 3.033 0.000) 6.076 0.893 ( 3.826 5.202 0.000) 6.458 0.895 ( -7.625 3.919 0.000) 8.573 0.912 ( 2.623 5.917 0.000) 6.472 0.965 ( -2.617 5.806 0.000) 6.369 1.010 ( -5.593 3.507 0.000) 6.601 1.023 ( -2.213 3.976 0.000) 4.550 1.044 ( -3.668 4.354 0.000) 5.693 1.068 ( -0.393 1.973 0.000) 2.012 1.082 ( -2.257 3.261 0.000) 3.966 1.131 ( 3.063 0.478 0.000) 3.100 1.167 ( 0.223 -0.221 0.000) 0.314 1.203 ( 5.519 2.613 0.000) 6.106 1.224 ( 5.660 4.070 0.000) 6.971 1.309 ( 0.580 1.736 0.000) 1.831 1.323 ( -0.443 -2.481 0.000) 2.521 1.339 ( -2.875 2.574 0.000) 3.858 1.342 ( 1.767 2.453 0.000) 3.023 1.362 ( -0.315 -2.042 0.000) 2.066 1.384 ( 2.646 0.420 0.000) 2.679 1.403 ( -2.265 -0.214 0.000) 2.275 1.439 ( -2.231 1.093 0.000) 2.485 1.459 ( 2.187 -1.251 0.000) 2.519 1.464 ( 1.273 -1.889 0.000) 2.278 1.499 ( -0.691 -0.350 0.000) 0.775 1.528 ( -0.362 -1.975 0.000) 2.008 1.537 ( 0.566 -1.383 0.000) 1.494 1.590 ( 0.041 -1.318 0.000) 1.318 1.596 ( 0.551 -1.074 0.000) 1.207 1.609 ( -3.677 -1.366 0.000) 3.923 1.635 ( -1.816 -2.307 0.000) 2.936 1.635 ( -3.286 -2.630 0.000) 4.208 1.658 ( 2.475 6.427 0.000) 6.887 1.689 ( 0.845 1.609 0.000) 1.817 1.694 ( 1.061 -0.135 0.000) 1.070 1.695 ( 0.095 -0.221 0.000) 0.241 1.704 ( 0.155 0.299 0.000) 0.337 1.709 ( -0.403 2.418 0.000) 2.452 1.729 ( -1.136 0.197 0.000) 1.153 1.735 ( -0.342 -1.158 0.000) 1.208 1.752 ( -1.784 1.753 0.000) 2.501 1.759 ( -1.486 1.221 0.000) 1.924 2.221 ( 4.850 1.188 0.000) 4.994 2.249 ( 2.327 1.031 0.000) 2.545 2.264 ( 6.051 2.034 0.000) 6.384 2.310 ( -2.453 0.584 0.000) 2.521 2.320 ( 0.545 0.183 0.000) 0.575 2.356 ( 4.244 1.701 0.000) 4.572 2.400 ( 3.208 -0.066 0.000) 3.208 2.414 ( -2.758 -1.612 0.000) 3.195 2.546 ( -7.698 -2.411 0.000) 8.067 2.558 ( -5.240 -3.105 0.000) 6.091 2.664 ( 1.260 -5.937 0.000) 6.069 2.714 ( 0.528 -4.770 0.000) 4.799 2.733 ( -1.392 -5.487 0.000) 5.661 2.748 ( -6.316 -5.712 0.000) 8.516 2.830 ( 0.799 -1.843 0.000) 2.009 2.846 ( -3.053 -8.732 0.000) 9.250 2.919 ( -2.047 -3.801 0.000) 4.318 2.927 ( -1.701 -0.294 0.000) 1.727 3.072 ( 1.245 -1.914 0.000) 2.284 3.081 ( 0.482 -2.176 0.000) 2.229 3.130 ( -0.054 -2.568 0.000) 2.568 3.145 ( -1.441 -1.575 0.000) 2.135 3.252 ( 2.892 2.672 0.000) 3.938 3.279 ( 1.319 1.407 0.000) 1.929 3.383 ( 4.486 3.249 0.000) 5.539 3.415 ( 0.616 -0.851 0.000) 1.050 3.419 ( 0.301 2.317 0.000) 2.337 3.437 ( -0.916 -2.452 0.000) 2.618 3.449 ( 2.738 -1.473 0.000) 3.109 3.479 ( -0.551 -0.730 0.000) 0.915 3.526 ( 1.235 -1.831 0.000) 2.208 3.550 ( -2.085 -1.912 0.000) 2.829 3.575 ( -2.435 -0.728 0.000) 2.541 3.603 ( -3.661 -0.438 0.000) 3.687 3.649 ( 3.053 1.658 0.000) 3.474 3.700 ( -2.002 0.501 0.000) 2.064 3.729 ( -0.014 1.579 0.000) 1.579 3.729 ( 1.058 -0.321 0.000) 1.106 3.804 ( -0.982 0.269 0.000) 1.018 3.818 ( -1.883 -1.152 0.000) 2.208 3.875 ( 8.026 -0.006 0.000) 8.026 3.895 ( 6.697 1.939 0.000) 6.972 3.982 ( 1.101 -0.779 0.000) 1.349 4.000 ( -1.365 -1.226 0.000) 1.835 4.034 ( -4.651 2.794 0.000) 5.425 4.042 ( -5.606 0.726 0.000) 5.653 4.076 ( -0.095 0.937 0.000) 0.942 4.085 ( -0.387 1.888 0.000) 1.927 4.180 ( 5.651 -3.228 0.000) 6.508 4.241 ( -0.286 0.058 0.000) 0.292 4.284 ( 3.460 0.937 0.000) 3.585 4.306 ( 0.870 -3.303 0.000) 3.416 4.331 ( 2.553 1.701 0.000) 3.068 4.358 ( 4.735 0.663 0.000) 4.781 4.365 ( 1.520 0.148 0.000) 1.528 4.369 ( 0.181 1.646 0.000) 1.656 4.391 ( -1.650 -0.344 0.000) 1.686 4.421 ( -0.357 0.624 0.000) 0.719 4.441 ( 3.535 -1.852 0.000) 3.991 4.470 ( 1.002 -1.700 0.000) 1.973 4.484 ( 0.696 1.485 0.000) 1.640 4.500 ( -0.938 -0.631 0.000) 1.131 4.516 ( 3.674 -3.314 0.000) 4.947 4.520 ( -1.899 -0.157 0.000) 1.906 4.555 ( -1.703 1.320 0.000) 2.155 4.604 ( -2.762 0.912 0.000) 2.908 4.619 ( -2.491 -0.746 0.000) 2.600 4.629 ( 0.191 0.367 0.000) 0.414 4.674 ( -0.364 4.053 0.000) 4.069 4.698 ( -2.639 2.524 0.000) 3.651 4.727 ( -4.084 -0.462 0.000) 4.110 4.738 ( -6.449 0.915 0.000) 6.514 4.887 ( 3.134 -1.657 0.000) 3.545 4.906 ( 3.605 -4.337 0.000) 5.640 4.960 ( 3.698 0.829 0.000) 3.790 5.000 ( -2.624 0.399 0.000) 2.654 5.060 ( -2.656 2.129 0.000) 3.404 5.086 ( -5.419 1.243 0.000) 5.560 5.134 ( 4.666 5.043 0.000) 6.870 5.159 ( 4.363 4.842 0.000) 6.517 5.254 ( 5.727 4.075 0.000) 7.029 5.277 ( 0.661 6.681 0.000) 6.714 5.294 ( 0.445 6.112 0.000) 6.128 5.375 ( -5.194 1.365 0.000) 5.370 5.401 ( 0.586 1.142 0.000) 1.284 5.420 ( -3.173 0.572 0.000) 3.224 5.434 ( -0.266 4.963 0.000) 4.970 5.474 ( 1.692 3.828 0.000) 4.185 5.484 ( -2.003 0.362 0.000) 2.035 5.509 ( -1.291 1.196 0.000) 1.760 5.522 ( -1.449 -1.322 0.000) 1.962 5.532 ( -2.543 2.646 0.000) 3.670 5.622 ( 5.562 -0.634 0.000) 5.598 5.655 ( 2.652 3.407 0.000) 4.318 5.680 ( 0.558 0.128 0.000) 0.572 5.688 ( -0.261 0.848 0.000) 0.887 5.790 ( 0.525 2.576 0.000) 2.629 5.855 ( -5.619 0.190 0.000) 5.622 5.872 ( 3.376 1.067 0.000) 3.541 5.916 ( 0.353 0.151 0.000) 0.384 5.937 ( -1.279 -0.634 0.000) 1.428 5.951 ( -2.817 -1.196 0.000) 3.060 6.015 ( -0.285 -1.012 0.000) 1.051 6.016 ( -0.477 -3.160 0.000) 3.196 6.081 ( 0.163 0.642 0.000) 0.663 6.104 ( 0.136 -1.307 0.000) 1.314 6.132 ( -0.253 0.306 0.000) 0.397 6.145 ( -0.276 -1.722 0.000) 1.744 6.247 ( 3.153 -3.564 0.000) 4.759 6.257 ( 0.314 -2.835 0.000) 2.852 6.268 ( -0.855 -4.062 0.000) 4.151 6.276 ( 3.319 -3.943 0.000) 5.154 6.296 ( -1.707 -3.526 0.000) 3.917 6.351 ( -2.989 -3.845 0.000) 4.870 6.372 ( 0.753 0.301 0.000) 0.811 6.385 ( -1.108 -0.330 0.000) 1.156 6.446 ( 0.059 -4.534 0.000) 4.534 6.467 ( -2.437 -3.893 0.000) 4.593 6.496 ( 4.380 -3.554 0.000) 5.640 6.602 ( -6.158 -4.630 0.000) 7.705 6.790 ( 0.749 0.442 0.000) 0.870 6.803 ( -0.612 0.815 0.000) 1.019 6.814 ( 0.484 -0.292 0.000) 0.565 6.827 ( -0.739 0.213 0.000) 0.769 9.497 ( 1.098 0.849 0.000) 1.388 9.502 ( 1.287 0.675 0.000) 1.453 9.523 ( -1.430 0.017 0.000) 1.430 9.529 ( -1.402 -0.235 0.000) 1.421 9.570 ( 0.193 0.206 0.000) 0.283 9.573 ( 0.397 0.427 0.000) 0.583 9.577 ( -0.547 -0.035 0.000) 0.548 9.588 ( -1.195 0.081 0.000) 1.198 9.818 ( 0.938 0.925 0.000) 1.317 9.821 ( 1.083 0.827 0.000) 1.363 9.831 ( -0.592 0.307 0.000) 0.667 9.836 ( 1.852 0.435 0.000) 1.903 9.841 ( 1.651 0.278 0.000) 1.674 9.849 ( -1.604 -0.216 0.000) 1.619 9.870 ( -1.504 -0.337 0.000) 1.541 9.872 ( -1.518 -0.414 0.000) 1.574 10.338 ( 2.291 0.992 0.000) 2.497 10.342 ( 2.335 0.968 0.000) 2.528 10.366 ( 0.432 0.453 0.000) 0.626 10.369 ( 0.609 0.365 0.000) 0.710 10.444 ( -0.410 0.892 0.000) 0.982 10.448 ( -0.931 0.604 0.000) 1.110 10.469 ( -1.783 0.329 0.000) 1.813 10.474 ( -2.279 0.373 0.000) 2.309 10.925 ( 0.368 -0.613 0.000) 0.715 10.926 ( 0.399 -0.611 0.000) 0.730 10.934 ( -0.246 -0.669 0.000) 0.713 10.937 ( -0.499 -0.584 0.000) 0.768 10.947 ( -0.135 -0.258 0.000) 0.291 10.947 ( 0.085 -0.084 0.000) 0.120 10.956 ( -0.115 -0.570 0.000) 0.582 10.956 ( 0.135 -0.557 0.000) 0.574 11.108 ( 0.587 -0.118 0.000) 0.599 11.115 ( 0.723 -0.446 0.000) 0.850 11.122 ( -0.861 -0.458 0.000) 0.975 11.132 ( -0.932 -0.744 0.000) 1.192 11.166 ( 0.897 -0.022 0.000) 0.897 11.176 ( -0.102 -0.313 0.000) 0.329 11.195 ( 0.271 -0.994 0.000) 1.030 11.196 ( 0.128 -0.768 0.000) 0.779 ======================= Grid point 15 (10/24) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 1.610 0.000) 1.610 0.608 ( 0.000 6.473 0.000) 6.473 0.645 ( 0.000 -4.473 0.000) 4.473 0.664 ( 0.000 7.408 0.000) 7.408 0.677 ( 0.000 4.923 0.000) 4.923 0.686 ( 0.000 0.959 0.000) 0.959 0.726 ( 0.000 -3.097 0.000) 3.097 0.741 ( 0.000 -5.398 0.000) 5.398 0.787 ( 0.000 1.240 0.000) 1.240 0.811 ( 0.000 -5.041 0.000) 5.041 0.878 ( 0.000 5.622 0.000) 5.622 0.937 ( 0.000 7.152 0.000) 7.152 0.963 ( 0.000 -2.118 0.000) 2.118 0.995 ( 0.000 0.869 0.000) 0.869 1.013 ( 0.000 -0.817 0.000) 0.817 1.024 ( 0.000 6.092 0.000) 6.092 1.056 ( 0.000 -3.666 0.000) 3.666 1.066 ( 0.000 3.135 0.000) 3.135 1.153 ( 0.000 -5.397 0.000) 5.397 1.160 ( 0.000 2.447 0.000) 2.447 1.193 ( 0.000 -7.757 0.000) 7.757 1.195 ( 0.000 -0.678 0.000) 0.678 1.226 ( 0.000 5.204 0.000) 5.204 1.264 ( 0.000 2.375 0.000) 2.375 1.273 ( 0.000 4.671 0.000) 4.671 1.335 ( 0.000 0.592 0.000) 0.592 1.348 ( 0.000 -0.198 0.000) 0.198 1.353 ( 0.000 7.064 0.000) 7.064 1.360 ( 0.000 4.183 0.000) 4.183 1.374 ( 0.000 -2.997 0.000) 2.997 1.443 ( 0.000 0.805 0.000) 0.805 1.444 ( 0.000 -3.869 0.000) 3.869 1.491 ( 0.000 0.143 0.000) 0.143 1.501 ( 0.000 -0.647 0.000) 0.647 1.502 ( 0.000 -6.420 0.000) 6.420 1.525 ( 0.000 -4.659 0.000) 4.659 1.567 ( 0.000 1.826 0.000) 1.826 1.585 ( 0.000 -0.371 0.000) 0.371 1.594 ( 0.000 1.223 0.000) 1.223 1.617 ( 0.000 -0.564 0.000) 0.564 1.699 ( 0.000 2.726 0.000) 2.726 1.719 ( 0.000 3.437 0.000) 3.437 1.723 ( 0.000 1.317 0.000) 1.317 1.724 ( 0.000 1.146 0.000) 1.146 1.744 ( 0.000 -0.664 0.000) 0.664 1.755 ( 0.000 1.879 0.000) 1.879 1.767 ( 0.000 0.856 0.000) 0.856 1.768 ( 0.000 -0.754 0.000) 0.754 1.793 ( 0.000 5.724 0.000) 5.724 1.794 ( 0.000 6.485 0.000) 6.485 1.817 ( 0.000 2.048 0.000) 2.048 1.820 ( 0.000 2.704 0.000) 2.704 2.130 ( 0.000 -0.216 0.000) 0.216 2.155 ( 0.000 -1.039 0.000) 1.039 2.160 ( 0.000 -0.425 0.000) 0.425 2.166 ( 0.000 -3.621 0.000) 3.621 2.176 ( 0.000 -2.860 0.000) 2.860 2.216 ( 0.000 -4.720 0.000) 4.720 2.244 ( 0.000 1.892 0.000) 1.892 2.320 ( 0.000 -5.490 0.000) 5.490 2.693 ( 0.000 -1.027 0.000) 1.027 2.709 ( 0.000 -2.370 0.000) 2.370 2.715 ( 0.000 -1.361 0.000) 1.361 2.728 ( 0.000 -2.422 0.000) 2.422 2.794 ( 0.000 0.739 0.000) 0.739 2.828 ( 0.000 -2.317 0.000) 2.317 2.836 ( 0.000 4.251 0.000) 4.251 2.923 ( 0.000 -4.499 0.000) 4.499 2.992 ( 0.000 3.092 0.000) 3.092 3.040 ( 0.000 4.732 0.000) 4.732 3.068 ( 0.000 -3.894 0.000) 3.894 3.123 ( 0.000 1.263 0.000) 1.263 3.126 ( 0.000 -3.100 0.000) 3.100 3.138 ( 0.000 3.406 0.000) 3.406 3.183 ( 0.000 -4.789 0.000) 4.789 3.190 ( 0.000 -1.587 0.000) 1.587 3.277 ( 0.000 3.791 0.000) 3.791 3.290 ( 0.000 3.693 0.000) 3.693 3.353 ( 0.000 -3.620 0.000) 3.620 3.366 ( 0.000 -3.860 0.000) 3.860 3.457 ( 0.000 4.698 0.000) 4.698 3.470 ( 0.000 3.516 0.000) 3.516 3.551 ( 0.000 -3.124 0.000) 3.124 3.559 ( 0.000 1.104 0.000) 1.104 3.562 ( 0.000 -4.723 0.000) 4.723 3.584 ( 0.000 2.001 0.000) 2.001 3.593 ( 0.000 -2.399 0.000) 2.399 3.637 ( 0.000 -3.307 0.000) 3.307 3.685 ( 0.000 2.966 0.000) 2.966 3.719 ( 0.000 2.551 0.000) 2.551 3.761 ( 0.000 -3.551 0.000) 3.551 3.782 ( 0.000 0.371 0.000) 0.371 3.799 ( 0.000 -5.385 0.000) 5.385 3.827 ( 0.000 -3.902 0.000) 3.902 3.832 ( 0.000 -0.489 0.000) 0.489 3.835 ( 0.000 -0.573 0.000) 0.573 3.967 ( 0.000 4.768 0.000) 4.768 4.084 ( 0.000 -6.248 0.000) 6.248 4.115 ( 0.000 0.331 0.000) 0.331 4.125 ( 0.000 -0.790 0.000) 0.790 4.170 ( 0.000 0.105 0.000) 0.105 4.187 ( 0.000 -0.745 0.000) 0.745 4.210 ( 0.000 2.318 0.000) 2.318 4.220 ( 0.000 0.716 0.000) 0.716 4.250 ( 0.000 -1.342 0.000) 1.342 4.282 ( 0.000 -2.081 0.000) 2.081 4.297 ( 0.000 3.713 0.000) 3.713 4.300 ( 0.000 -0.825 0.000) 0.825 4.301 ( 0.000 -0.777 0.000) 0.777 4.397 ( 0.000 -3.211 0.000) 3.211 4.462 ( 0.000 -0.292 0.000) 0.292 4.463 ( 0.000 3.241 0.000) 3.241 4.491 ( 0.000 2.077 0.000) 2.077 4.495 ( 0.000 0.464 0.000) 0.464 4.497 ( 0.000 0.414 0.000) 0.414 4.591 ( 0.000 -5.594 0.000) 5.594 4.643 ( 0.000 5.549 0.000) 5.549 4.667 ( 0.000 3.867 0.000) 3.867 4.723 ( 0.000 -1.690 0.000) 1.690 4.743 ( 0.000 -2.464 0.000) 2.464 4.763 ( 0.000 1.553 0.000) 1.553 4.777 ( 0.000 4.900 0.000) 4.900 4.787 ( 0.000 -0.280 0.000) 0.280 4.883 ( 0.000 -4.585 0.000) 4.585 4.884 ( 0.000 1.097 0.000) 1.097 4.886 ( 0.000 0.465 0.000) 0.465 4.943 ( 0.000 3.342 0.000) 3.342 5.019 ( 0.000 -3.084 0.000) 3.084 5.071 ( 0.000 5.900 0.000) 5.900 5.145 ( 0.000 -0.856 0.000) 0.856 5.191 ( 0.000 1.122 0.000) 1.122 5.195 ( 0.000 0.280 0.000) 0.280 5.292 ( 0.000 6.257 0.000) 6.257 5.346 ( 0.000 2.919 0.000) 2.919 5.359 ( 0.000 5.419 0.000) 5.419 5.376 ( 0.000 1.728 0.000) 1.728 5.433 ( 0.000 1.567 0.000) 1.567 5.467 ( 0.000 1.636 0.000) 1.636 5.484 ( 0.000 -2.768 0.000) 2.768 5.519 ( 0.000 -0.750 0.000) 0.750 5.531 ( 0.000 2.152 0.000) 2.152 5.533 ( 0.000 -4.507 0.000) 4.507 5.604 ( 0.000 4.609 0.000) 4.609 5.616 ( 0.000 2.814 0.000) 2.814 5.626 ( 0.000 0.247 0.000) 0.247 5.657 ( 0.000 1.319 0.000) 1.319 5.673 ( 0.000 0.280 0.000) 0.280 5.674 ( 0.000 -2.401 0.000) 2.401 5.842 ( 0.000 0.848 0.000) 0.848 5.850 ( 0.000 0.198 0.000) 0.198 5.900 ( 0.000 2.679 0.000) 2.679 5.919 ( 0.000 0.804 0.000) 0.804 5.920 ( 0.000 0.035 0.000) 0.035 5.950 ( 0.000 -2.980 0.000) 2.980 5.992 ( 0.000 -0.088 0.000) 0.088 6.014 ( 0.000 -1.896 0.000) 1.896 6.066 ( 0.000 -1.422 0.000) 1.422 6.075 ( 0.000 -0.543 0.000) 0.543 6.090 ( 0.000 -0.891 0.000) 0.891 6.120 ( 0.000 -3.933 0.000) 3.933 6.159 ( 0.000 -0.368 0.000) 0.368 6.170 ( 0.000 -0.752 0.000) 0.752 6.199 ( 0.000 0.043 0.000) 0.043 6.217 ( 0.000 -1.088 0.000) 1.088 6.294 ( 0.000 -1.105 0.000) 1.105 6.307 ( 0.000 1.259 0.000) 1.259 6.362 ( 0.000 -1.790 0.000) 1.790 6.376 ( 0.000 0.935 0.000) 0.935 6.400 ( 0.000 -6.460 0.000) 6.460 6.425 ( 0.000 -8.036 0.000) 8.036 6.514 ( 0.000 5.864 0.000) 5.864 6.662 ( 0.000 -8.197 0.000) 8.197 6.775 ( 0.000 2.649 0.000) 2.649 6.784 ( 0.000 2.260 0.000) 2.260 6.813 ( 0.000 -0.921 0.000) 0.921 6.821 ( 0.000 -1.410 0.000) 1.410 9.508 ( 0.000 1.484 0.000) 1.484 9.510 ( 0.000 1.536 0.000) 1.536 9.535 ( 0.000 -1.153 0.000) 1.153 9.538 ( 0.000 -1.189 0.000) 1.189 9.576 ( 0.000 0.444 0.000) 0.444 9.587 ( 0.000 -0.610 0.000) 0.610 9.588 ( 0.000 0.854 0.000) 0.854 9.607 ( 0.000 -1.068 0.000) 1.068 9.804 ( 0.000 1.244 0.000) 1.244 9.820 ( 0.000 1.589 0.000) 1.589 9.827 ( 0.000 -1.019 0.000) 1.019 9.838 ( 0.000 1.706 0.000) 1.706 9.847 ( 0.000 1.606 0.000) 1.606 9.854 ( 0.000 -1.755 0.000) 1.755 9.872 ( 0.000 -1.556 0.000) 1.556 9.878 ( 0.000 -1.397 0.000) 1.397 10.292 ( 0.000 0.394 0.000) 0.394 10.294 ( 0.000 0.428 0.000) 0.428 10.300 ( 0.000 -0.389 0.000) 0.389 10.302 ( 0.000 -0.385 0.000) 0.385 10.522 ( 0.000 0.753 0.000) 0.753 10.526 ( 0.000 0.483 0.000) 0.483 10.535 ( 0.000 1.077 0.000) 1.077 10.549 ( 0.000 -0.202 0.000) 0.202 10.912 ( 0.000 -0.310 0.000) 0.310 10.913 ( 0.000 -0.247 0.000) 0.247 10.914 ( 0.000 -0.491 0.000) 0.491 10.916 ( 0.000 -0.468 0.000) 0.468 10.951 ( 0.000 0.793 0.000) 0.793 10.953 ( 0.000 0.870 0.000) 0.870 10.965 ( 0.000 -0.503 0.000) 0.503 10.972 ( 0.000 -1.005 0.000) 1.005 11.114 ( 0.000 0.996 0.000) 0.996 11.119 ( 0.000 1.292 0.000) 1.292 11.137 ( 0.000 -1.161 0.000) 1.161 11.139 ( 0.000 0.520 0.000) 0.520 11.148 ( 0.000 -0.401 0.000) 0.401 11.151 ( 0.000 -1.799 0.000) 1.799 11.153 ( 0.000 -0.262 0.000) 0.262 11.154 ( 0.000 -0.349 0.000) 0.349 ======================= Grid point 16 (11/24) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -5.124 1.845 0.000) 5.446 0.550 ( -2.549 1.937 0.000) 3.201 0.554 ( -6.254 -2.357 0.000) 6.684 0.591 ( -4.381 -2.263 0.000) 4.930 0.745 ( 4.784 5.064 0.000) 6.967 0.751 ( 4.015 4.728 0.000) 6.203 0.792 ( 3.847 4.791 0.000) 6.144 0.808 ( 4.806 1.962 0.000) 5.191 0.863 ( 3.934 -2.873 0.000) 4.871 0.872 ( 3.291 -3.939 0.000) 5.132 0.872 ( -0.074 5.854 0.000) 5.854 0.941 ( 1.340 -2.984 0.000) 3.272 0.943 ( -2.553 2.546 0.000) 3.605 0.995 ( 3.729 6.813 0.000) 7.767 1.000 ( -1.176 -1.617 0.000) 1.999 1.023 ( 1.220 1.399 0.000) 1.856 1.065 ( 0.732 0.349 0.000) 0.811 1.100 ( 0.694 0.448 0.000) 0.826 1.118 ( -4.331 -4.086 0.000) 5.954 1.138 ( 1.720 -3.236 0.000) 3.665 1.144 ( -1.424 2.154 0.000) 2.582 1.178 ( -3.059 -1.739 0.000) 3.518 1.263 ( 1.050 3.755 0.000) 3.899 1.267 ( 3.400 3.606 0.000) 4.957 1.297 ( -0.904 4.896 0.000) 4.979 1.313 ( 0.262 1.761 0.000) 1.780 1.338 ( -2.333 2.174 0.000) 3.189 1.350 ( -0.278 -1.955 0.000) 1.974 1.377 ( -0.240 0.543 0.000) 0.594 1.405 ( -1.545 0.329 0.000) 1.579 1.407 ( -1.679 -3.835 0.000) 4.186 1.448 ( 1.636 2.458 0.000) 2.953 1.456 ( -1.938 -2.425 0.000) 3.105 1.494 ( -2.044 -1.897 0.000) 2.788 1.507 ( 0.157 2.143 0.000) 2.149 1.527 ( 0.553 0.376 0.000) 0.669 1.545 ( -2.562 -0.444 0.000) 2.600 1.581 ( 1.933 -3.587 0.000) 4.075 1.624 ( 2.418 -0.328 0.000) 2.440 1.629 ( 0.647 -0.518 0.000) 0.829 1.641 ( -5.470 2.016 0.000) 5.830 1.666 ( -3.779 1.152 0.000) 3.951 1.677 ( -4.740 -0.334 0.000) 4.752 1.694 ( -1.646 1.704 0.000) 2.369 1.704 ( -4.659 -0.962 0.000) 4.757 1.721 ( -0.637 0.942 0.000) 1.137 1.739 ( -2.116 -0.562 0.000) 2.189 1.743 ( -3.218 -2.528 0.000) 4.092 1.802 ( 0.697 5.131 0.000) 5.178 1.804 ( 0.545 5.017 0.000) 5.047 1.824 ( 0.667 2.824 0.000) 2.902 1.830 ( 0.589 2.366 0.000) 2.439 2.153 ( 4.849 1.022 0.000) 4.956 2.165 ( 4.141 1.413 0.000) 4.375 2.197 ( 3.959 -0.240 0.000) 3.966 2.242 ( 4.654 -1.040 0.000) 4.769 2.255 ( 3.224 -3.892 0.000) 5.054 2.273 ( 4.697 -2.936 0.000) 5.539 2.288 ( 4.023 1.977 0.000) 4.482 2.362 ( 3.181 -4.635 0.000) 5.622 2.596 ( -5.481 -2.550 0.000) 6.045 2.614 ( -5.411 -3.271 0.000) 6.323 2.641 ( -6.000 -0.220 0.000) 6.004 2.688 ( -6.620 -3.337 0.000) 7.414 2.723 ( -6.774 -0.318 0.000) 6.781 2.772 ( -7.262 -5.119 0.000) 8.885 2.846 ( -0.647 2.224 0.000) 2.316 2.884 ( -5.524 -1.646 0.000) 5.764 2.954 ( -6.110 -0.718 0.000) 6.153 2.969 ( -9.118 -2.071 0.000) 9.350 3.041 ( 3.162 2.976 0.000) 4.342 3.052 ( 1.565 2.057 0.000) 2.585 3.092 ( 0.571 -1.683 0.000) 1.777 3.116 ( -0.239 -3.688 0.000) 3.696 3.278 ( 3.016 3.215 0.000) 4.408 3.293 ( 0.838 3.346 0.000) 3.450 3.324 ( 4.191 1.452 0.000) 4.435 3.330 ( 6.956 -0.852 0.000) 7.008 3.389 ( 2.625 -0.296 0.000) 2.641 3.402 ( 3.111 -1.770 0.000) 3.579 3.453 ( 0.048 0.891 0.000) 0.892 3.464 ( -0.511 -0.475 0.000) 0.698 3.531 ( -2.408 1.721 0.000) 2.960 3.562 ( -1.195 -0.217 0.000) 1.215 3.583 ( 0.943 -0.018 0.000) 0.944 3.611 ( 0.398 -2.526 0.000) 2.557 3.642 ( 2.521 0.891 0.000) 2.674 3.673 ( 7.639 -1.577 0.000) 7.800 3.722 ( 0.451 1.613 0.000) 1.675 3.731 ( -0.350 -0.363 0.000) 0.504 3.768 ( 7.376 0.867 0.000) 7.427 3.784 ( -0.082 1.632 0.000) 1.634 3.817 ( -0.976 0.015 0.000) 0.976 3.817 ( -0.441 -0.567 0.000) 0.718 3.845 ( 5.275 -5.723 0.000) 7.783 3.885 ( 3.305 -6.072 0.000) 6.913 4.039 ( 3.698 3.119 0.000) 4.838 4.095 ( -1.759 -1.488 0.000) 2.304 4.111 ( 1.379 0.833 0.000) 1.611 4.115 ( -0.877 0.178 0.000) 0.894 4.158 ( 3.735 -2.155 0.000) 4.312 4.159 ( -2.444 -1.235 0.000) 2.738 4.259 ( 1.882 2.723 0.000) 3.310 4.261 ( 3.484 1.484 0.000) 3.787 4.293 ( 2.236 1.340 0.000) 2.607 4.297 ( 2.460 -1.266 0.000) 2.767 4.316 ( 1.950 -0.527 0.000) 2.020 4.321 ( 2.483 -2.420 0.000) 3.467 4.323 ( 2.099 0.052 0.000) 2.100 4.379 ( -1.027 -3.353 0.000) 3.507 4.440 ( -1.441 -0.488 0.000) 1.522 4.459 ( -0.831 -1.551 0.000) 1.759 4.476 ( 0.003 3.558 0.000) 3.558 4.497 ( -0.126 0.646 0.000) 0.658 4.504 ( 0.259 1.802 0.000) 1.821 4.560 ( -1.767 -2.106 0.000) 2.749 4.644 ( -2.275 3.357 0.000) 4.056 4.669 ( -0.378 1.731 0.000) 1.772 4.697 ( -4.922 2.899 0.000) 5.712 4.718 ( -0.650 -1.075 0.000) 1.256 4.736 ( 0.650 0.953 0.000) 1.154 4.762 ( -4.679 2.426 0.000) 5.271 4.792 ( -5.227 -3.254 0.000) 6.157 4.794 ( 1.611 -0.768 0.000) 1.785 4.864 ( -3.391 -0.118 0.000) 3.393 4.867 ( -0.546 0.162 0.000) 0.569 4.993 ( 1.266 2.668 0.000) 2.953 5.036 ( 0.261 -1.577 0.000) 1.599 5.113 ( 5.407 4.752 0.000) 7.199 5.145 ( -2.442 1.903 0.000) 3.096 5.159 ( 1.082 0.953 0.000) 1.442 5.168 ( -2.488 -0.123 0.000) 2.491 5.286 ( -0.355 4.028 0.000) 4.044 5.357 ( 0.348 -1.750 0.000) 1.784 5.377 ( 0.784 3.423 0.000) 3.511 5.402 ( 1.987 2.521 0.000) 3.210 5.438 ( -1.401 -0.485 0.000) 1.482 5.441 ( -0.563 2.928 0.000) 2.981 5.477 ( -0.894 0.021 0.000) 0.894 5.497 ( 0.204 0.906 0.000) 0.929 5.499 ( -1.209 -1.656 0.000) 2.050 5.546 ( -0.623 -2.890 0.000) 2.956 5.587 ( -2.316 2.794 0.000) 3.629 5.596 ( -1.602 2.859 0.000) 3.278 5.642 ( -0.790 1.318 0.000) 1.536 5.663 ( 0.925 0.690 0.000) 1.154 5.667 ( 1.316 1.116 0.000) 1.726 5.686 ( 0.884 -0.042 0.000) 0.885 5.867 ( 0.805 2.947 0.000) 3.055 5.874 ( 2.181 1.407 0.000) 2.595 5.892 ( 0.763 -0.413 0.000) 0.868 5.906 ( 0.127 0.531 0.000) 0.546 5.942 ( 1.158 -0.733 0.000) 1.371 5.953 ( 1.874 -2.439 0.000) 3.075 5.979 ( -5.159 0.580 0.000) 5.192 6.001 ( -1.660 -0.793 0.000) 1.839 6.063 ( 0.073 -1.189 0.000) 1.191 6.064 ( 0.598 -1.698 0.000) 1.800 6.109 ( 0.754 -1.541 0.000) 1.716 6.116 ( 2.872 -2.064 0.000) 3.537 6.178 ( -0.206 0.968 0.000) 0.990 6.179 ( 0.845 -0.148 0.000) 0.858 6.211 ( 0.746 -0.567 0.000) 0.937 6.222 ( 0.379 -1.544 0.000) 1.590 6.268 ( -3.086 -1.014 0.000) 3.249 6.293 ( 0.166 -3.780 0.000) 3.784 6.358 ( -2.625 -3.161 0.000) 4.109 6.361 ( -0.389 -2.389 0.000) 2.421 6.398 ( 0.733 -0.509 0.000) 0.893 6.418 ( -0.471 -3.933 0.000) 3.961 6.485 ( -2.548 4.128 0.000) 4.851 6.602 ( -5.108 -6.491 0.000) 8.260 6.792 ( 1.096 1.458 0.000) 1.824 6.798 ( 1.188 1.436 0.000) 1.864 6.814 ( 0.071 -0.558 0.000) 0.562 6.825 ( 0.334 -0.974 0.000) 1.030 9.509 ( 0.107 1.211 0.000) 1.216 9.511 ( 0.072 1.282 0.000) 1.284 9.531 ( -0.441 -0.907 0.000) 1.008 9.534 ( -0.446 -0.974 0.000) 1.072 9.575 ( -0.130 0.335 0.000) 0.360 9.582 ( -0.383 -0.390 0.000) 0.547 9.585 ( -0.242 0.726 0.000) 0.765 9.600 ( -0.629 -0.769 0.000) 0.993 9.813 ( 0.881 0.918 0.000) 1.272 9.827 ( 0.595 1.200 0.000) 1.339 9.830 ( 0.255 -0.688 0.000) 0.734 9.840 ( 0.195 1.496 0.000) 1.509 9.846 ( 0.003 1.425 0.000) 1.425 9.851 ( -0.251 -1.254 0.000) 1.279 9.869 ( -0.294 -1.330 0.000) 1.363 9.874 ( -0.433 -1.204 0.000) 1.279 10.310 ( 1.860 0.528 0.000) 1.933 10.313 ( 1.889 0.463 0.000) 1.945 10.322 ( 2.171 -0.402 0.000) 2.208 10.325 ( 2.142 -0.441 0.000) 2.187 10.503 ( -1.891 0.673 0.000) 2.007 10.505 ( -2.043 0.672 0.000) 2.151 10.517 ( -1.813 0.681 0.000) 1.936 10.526 ( -2.141 -0.109 0.000) 2.144 10.912 ( -0.093 -0.345 0.000) 0.358 10.912 ( -0.008 -0.165 0.000) 0.166 10.914 ( 0.154 -0.509 0.000) 0.532 10.918 ( 0.144 -0.642 0.000) 0.658 10.952 ( 0.019 0.518 0.000) 0.518 10.953 ( 0.054 0.492 0.000) 0.495 10.960 ( -0.463 -0.188 0.000) 0.500 10.964 ( -0.676 -0.491 0.000) 0.835 11.109 ( -0.267 0.601 0.000) 0.657 11.112 ( -0.363 0.740 0.000) 0.825 11.124 ( -0.753 -0.837 0.000) 1.126 11.131 ( -0.958 -1.032 0.000) 1.408 11.152 ( 0.947 0.435 0.000) 1.043 11.161 ( 0.709 -0.481 0.000) 0.857 11.167 ( 0.928 -0.284 0.000) 0.971 11.172 ( 0.805 -0.698 0.000) 1.065 ======================= Grid point 17 (12/24) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -1.864 0.143 0.000) 1.869 0.450 ( -3.634 -1.543 0.000) 3.948 0.523 ( -0.240 0.703 0.000) 0.743 0.537 ( -1.636 -0.831 0.000) 1.835 0.805 ( 1.190 1.715 0.000) 2.087 0.809 ( 0.821 1.176 0.000) 1.434 0.845 ( 1.707 3.768 0.000) 4.136 0.862 ( 0.763 1.671 0.000) 1.837 0.864 ( 1.973 2.571 0.000) 3.241 0.876 ( 1.331 3.733 0.000) 3.963 0.901 ( -2.735 0.802 0.000) 2.850 0.920 ( -2.720 -0.561 0.000) 2.777 1.017 ( 7.065 5.147 0.000) 8.741 1.027 ( 2.619 0.174 0.000) 2.625 1.039 ( 1.752 4.259 0.000) 4.605 1.070 ( 0.436 1.077 0.000) 1.162 1.071 ( 0.895 2.192 0.000) 2.368 1.106 ( -3.087 0.918 0.000) 3.221 1.112 ( 2.993 3.722 0.000) 4.776 1.137 ( 0.677 -0.072 0.000) 0.681 1.144 ( 2.013 -0.326 0.000) 2.040 1.186 ( -1.471 -0.197 0.000) 1.484 1.231 ( -0.967 0.614 0.000) 1.146 1.247 ( -2.452 -0.160 0.000) 2.457 1.275 ( 1.527 2.047 0.000) 2.554 1.325 ( -0.673 -1.220 0.000) 1.393 1.333 ( -2.202 -2.827 0.000) 3.583 1.353 ( 0.531 1.580 0.000) 1.667 1.369 ( 1.785 0.140 0.000) 1.791 1.394 ( 1.410 1.291 0.000) 1.912 1.394 ( -0.226 -4.464 0.000) 4.469 1.414 ( -2.948 0.970 0.000) 3.103 1.445 ( 0.550 -1.929 0.000) 2.006 1.456 ( -2.226 -1.294 0.000) 2.575 1.477 ( -0.627 -0.189 0.000) 0.655 1.487 ( -3.893 0.128 0.000) 3.895 1.536 ( -2.495 0.506 0.000) 2.546 1.561 ( -5.048 -2.064 0.000) 5.453 1.568 ( -1.152 -0.675 0.000) 1.335 1.571 ( -0.731 -0.535 0.000) 0.906 1.594 ( -3.181 -0.832 0.000) 3.287 1.596 ( -3.488 -1.033 0.000) 3.638 1.673 ( 1.486 -0.113 0.000) 1.490 1.681 ( 1.089 -0.837 0.000) 1.374 1.693 ( 1.621 -0.048 0.000) 1.621 1.694 ( 0.749 -0.311 0.000) 0.811 1.736 ( 0.710 0.512 0.000) 0.875 1.738 ( 0.524 0.521 0.000) 0.739 1.815 ( 0.749 4.904 0.000) 4.961 1.821 ( 0.969 4.905 0.000) 5.000 1.829 ( -0.149 3.775 0.000) 3.778 1.837 ( -0.119 3.697 0.000) 3.699 2.259 ( 4.471 2.105 0.000) 4.942 2.271 ( 2.915 0.940 0.000) 3.063 2.283 ( 6.659 -0.072 0.000) 6.660 2.295 ( 0.095 -1.499 0.000) 1.502 2.313 ( 0.168 -0.820 0.000) 0.837 2.330 ( 3.399 -3.327 0.000) 4.756 2.384 ( 5.160 0.940 0.000) 5.245 2.398 ( 1.630 -0.774 0.000) 1.804 2.517 ( -7.361 -0.700 0.000) 7.395 2.528 ( -8.743 -0.950 0.000) 8.795 2.544 ( -1.068 -3.695 0.000) 3.846 2.577 ( 2.550 -6.326 0.000) 6.821 2.615 ( -5.887 -4.764 0.000) 7.573 2.615 ( -1.071 -4.100 0.000) 4.238 2.723 ( -7.938 -2.366 0.000) 8.283 2.741 ( -8.587 -4.079 0.000) 9.506 2.893 ( 0.611 0.074 0.000) 0.616 2.907 ( -0.685 -1.399 0.000) 1.558 3.065 ( -0.267 0.495 0.000) 0.562 3.067 ( -0.517 0.335 0.000) 0.616 3.128 ( 2.491 1.058 0.000) 2.706 3.141 ( 1.390 0.053 0.000) 1.391 3.299 ( 0.227 0.015 0.000) 0.228 3.302 ( 0.232 0.589 0.000) 0.633 3.388 ( 1.384 0.605 0.000) 1.511 3.405 ( -0.285 0.233 0.000) 0.368 3.434 ( 2.745 0.886 0.000) 2.885 3.457 ( 0.520 -0.058 0.000) 0.523 3.471 ( 3.094 0.455 0.000) 3.127 3.481 ( 2.320 0.278 0.000) 2.337 3.502 ( -0.152 0.571 0.000) 0.590 3.524 ( -2.321 -0.707 0.000) 2.427 3.580 ( -0.796 1.490 0.000) 1.689 3.589 ( -1.735 0.075 0.000) 1.737 3.691 ( 1.881 1.711 0.000) 2.543 3.725 ( -1.666 -0.845 0.000) 1.868 3.732 ( 0.409 0.962 0.000) 1.045 3.736 ( 0.003 0.759 0.000) 0.759 3.804 ( -0.185 -0.368 0.000) 0.412 3.808 ( -0.517 -0.343 0.000) 0.621 3.887 ( 9.513 1.629 0.000) 9.652 3.915 ( 5.727 -0.449 0.000) 5.745 3.956 ( 3.075 -1.043 0.000) 3.247 3.966 ( 6.142 -1.628 0.000) 6.354 4.038 ( -5.357 -0.888 0.000) 5.430 4.040 ( -1.394 -1.591 0.000) 2.116 4.077 ( -1.795 -0.308 0.000) 1.821 4.097 ( -4.186 -0.957 0.000) 4.294 4.192 ( 5.273 4.044 0.000) 6.646 4.268 ( 3.909 1.484 0.000) 4.181 4.275 ( -1.477 -0.173 0.000) 1.487 4.286 ( 1.655 0.642 0.000) 1.776 4.324 ( -0.678 -2.474 0.000) 2.565 4.340 ( -0.852 -1.547 0.000) 1.766 4.349 ( 3.639 -0.602 0.000) 3.688 4.378 ( 4.492 0.960 0.000) 4.593 4.381 ( 2.879 -1.546 0.000) 3.268 4.410 ( 2.492 -1.738 0.000) 3.038 4.438 ( 1.539 1.009 0.000) 1.840 4.464 ( -0.429 -0.140 0.000) 0.452 4.470 ( 2.442 -0.305 0.000) 2.461 4.493 ( -1.288 -1.018 0.000) 1.642 4.504 ( -2.268 2.926 0.000) 3.702 4.541 ( 0.881 1.256 0.000) 1.534 4.574 ( -1.857 -0.328 0.000) 1.886 4.602 ( -8.133 -2.608 0.000) 8.541 4.647 ( -1.377 1.883 0.000) 2.333 4.648 ( -0.441 1.347 0.000) 1.417 4.679 ( -2.871 0.063 0.000) 2.872 4.721 ( -7.422 -2.259 0.000) 7.759 4.746 ( 0.407 2.110 0.000) 2.149 4.754 ( -0.473 1.222 0.000) 1.311 4.864 ( 2.395 0.490 0.000) 2.445 4.878 ( 0.872 -0.335 0.000) 0.934 4.990 ( -1.112 1.265 0.000) 1.684 4.995 ( -2.444 0.052 0.000) 2.445 5.113 ( -0.675 2.107 0.000) 2.212 5.117 ( -1.642 1.872 0.000) 2.490 5.230 ( 5.000 2.334 0.000) 5.518 5.231 ( 4.317 3.748 0.000) 5.717 5.292 ( 0.868 -0.741 0.000) 1.141 5.321 ( -2.781 -4.645 0.000) 5.414 5.391 ( -1.794 0.182 0.000) 1.803 5.395 ( -1.402 -0.857 0.000) 1.643 5.418 ( 0.789 4.159 0.000) 4.233 5.426 ( -1.052 4.456 0.000) 4.578 5.484 ( 1.392 -1.540 0.000) 2.076 5.500 ( 0.873 1.637 0.000) 1.856 5.506 ( -0.595 -0.784 0.000) 0.984 5.521 ( -1.481 0.951 0.000) 1.760 5.560 ( -0.008 3.159 0.000) 3.159 5.577 ( -0.705 1.675 0.000) 1.817 5.609 ( 0.087 -0.124 0.000) 0.152 5.655 ( -2.201 -2.848 0.000) 3.599 5.707 ( 1.189 1.135 0.000) 1.643 5.707 ( 1.159 1.164 0.000) 1.643 5.859 ( -0.162 2.988 0.000) 2.992 5.881 ( -2.702 2.585 0.000) 3.739 5.906 ( 0.410 -0.651 0.000) 0.769 5.931 ( 2.153 1.820 0.000) 2.819 5.937 ( -2.264 -1.197 0.000) 2.561 5.956 ( 3.761 0.543 0.000) 3.800 5.960 ( -0.914 0.595 0.000) 1.091 6.002 ( 0.759 0.265 0.000) 0.804 6.050 ( 0.133 -2.428 0.000) 2.431 6.074 ( -0.473 -2.583 0.000) 2.626 6.138 ( 1.555 2.047 0.000) 2.570 6.161 ( -0.540 1.743 0.000) 1.824 6.170 ( 0.906 -2.646 0.000) 2.797 6.184 ( -0.441 -2.220 0.000) 2.263 6.223 ( 0.359 -1.342 0.000) 1.389 6.223 ( 0.880 -0.664 0.000) 1.102 6.238 ( 0.405 -1.909 0.000) 1.952 6.280 ( -3.203 -4.760 0.000) 5.737 6.313 ( 0.119 -2.710 0.000) 2.712 6.338 ( -1.824 -3.758 0.000) 4.177 6.416 ( 0.227 0.030 0.000) 0.229 6.419 ( 0.632 0.602 0.000) 0.873 6.449 ( 0.112 -0.365 0.000) 0.381 6.502 ( -4.590 -4.513 0.000) 6.437 6.807 ( 0.501 0.684 0.000) 0.848 6.813 ( -0.172 0.116 0.000) 0.207 6.819 ( 0.880 0.627 0.000) 1.080 6.829 ( -0.082 -0.167 0.000) 0.186 9.513 ( 0.289 0.594 0.000) 0.660 9.514 ( 0.335 0.512 0.000) 0.612 9.521 ( -0.508 -0.221 0.000) 0.554 9.523 ( -0.572 -0.350 0.000) 0.670 9.573 ( 0.005 0.135 0.000) 0.135 9.576 ( -0.235 -0.080 0.000) 0.248 9.582 ( 0.008 0.379 0.000) 0.379 9.588 ( -0.568 -0.165 0.000) 0.592 9.831 ( 0.827 0.382 0.000) 0.911 9.835 ( 0.218 0.023 0.000) 0.219 9.837 ( 0.258 0.546 0.000) 0.604 9.844 ( -0.471 -0.292 0.000) 0.554 9.847 ( 0.577 0.634 0.000) 0.858 9.850 ( 0.510 0.619 0.000) 0.802 9.861 ( -0.648 -0.622 0.000) 0.899 9.862 ( -0.669 -0.514 0.000) 0.844 10.355 ( 2.336 0.599 0.000) 2.412 10.358 ( 2.230 0.417 0.000) 2.269 10.370 ( 2.087 -0.019 0.000) 2.087 10.371 ( 2.013 -0.111 0.000) 2.016 10.460 ( -2.001 0.413 0.000) 2.043 10.460 ( -1.999 0.490 0.000) 2.058 10.474 ( -2.158 0.198 0.000) 2.167 10.478 ( -2.446 -0.061 0.000) 2.447 10.912 ( 0.110 -0.384 0.000) 0.399 10.914 ( 0.187 -0.288 0.000) 0.343 10.915 ( -0.096 -0.668 0.000) 0.675 10.918 ( -0.140 -0.674 0.000) 0.689 10.951 ( -0.037 0.250 0.000) 0.252 10.952 ( -0.218 0.201 0.000) 0.297 10.953 ( -0.060 0.048 0.000) 0.077 10.954 ( -0.228 0.009 0.000) 0.228 11.107 ( 0.105 0.098 0.000) 0.144 11.110 ( 0.151 -0.005 0.000) 0.151 11.113 ( -0.447 -0.413 0.000) 0.608 11.117 ( -0.539 -0.614 0.000) 0.817 11.167 ( 0.517 0.104 0.000) 0.527 11.170 ( 0.171 -0.220 0.000) 0.279 11.180 ( 0.376 -0.370 0.000) 0.527 11.182 ( 0.235 -0.466 0.000) 0.522 ======================= Grid point 35 (13/24) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 12 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 0.000 0.000 -11.784) 11.784 0.272 ( 0.000 0.000 11.784) 11.784 0.324 ( 0.000 0.000 -13.792) 13.792 0.324 ( 0.000 0.000 13.792) 13.792 0.446 ( 0.000 0.000 -4.768) 4.768 0.446 ( 0.000 0.000 4.768) 4.768 0.611 ( 0.000 0.000 -21.186) 21.186 0.611 ( 0.000 0.000 21.186) 21.186 0.663 ( 0.000 0.000 -6.887) 6.887 0.663 ( 0.000 0.000 6.887) 6.887 0.780 ( 0.000 0.000 -9.844) 9.844 0.780 ( 0.000 0.000 9.844) 9.844 0.873 ( 0.000 0.000 -6.385) 6.385 0.873 ( 0.000 0.000 6.385) 6.385 0.932 ( 0.000 0.000 -0.270) 0.270 0.932 ( 0.000 0.000 0.270) 0.270 1.015 ( 0.000 0.000 -1.180) 1.180 1.015 ( 0.000 0.000 1.180) 1.180 1.015 ( 0.000 0.000 -1.909) 1.909 1.015 ( 0.000 0.000 1.909) 1.909 1.044 ( 0.000 0.000 -1.323) 1.323 1.044 ( 0.000 0.000 1.323) 1.323 1.102 ( 0.000 0.000 -0.851) 0.851 1.102 ( 0.000 0.000 0.851) 0.851 1.128 ( 0.000 0.000 -0.781) 0.781 1.128 ( 0.000 0.000 0.781) 0.781 1.172 ( 0.000 0.000 -2.085) 2.085 1.172 ( 0.000 0.000 2.085) 2.085 1.363 ( 0.000 0.000 -0.708) 0.708 1.363 ( 0.000 0.000 0.708) 0.708 1.416 ( 0.000 0.000 -6.460) 6.460 1.416 ( 0.000 0.000 6.460) 6.460 1.458 ( 0.000 0.000 -4.541) 4.541 1.458 ( 0.000 0.000 4.541) 4.541 1.470 ( 0.000 0.000 -2.490) 2.490 1.470 ( 0.000 0.000 2.490) 2.490 1.498 ( 0.000 0.000 -0.202) 0.202 1.498 ( 0.000 0.000 0.202) 0.202 1.577 ( 0.000 0.000 -0.429) 0.429 1.577 ( 0.000 0.000 0.429) 0.429 1.644 ( 0.000 0.000 -1.119) 1.119 1.644 ( 0.000 0.000 1.119) 1.119 1.694 ( 0.000 0.000 -1.454) 1.454 1.694 ( 0.000 0.000 1.454) 1.454 1.705 ( 0.000 0.000 -2.121) 2.121 1.705 ( 0.000 0.000 2.121) 2.121 1.730 ( 0.000 0.000 -2.684) 2.684 1.730 ( 0.000 0.000 2.684) 2.684 1.741 ( 0.000 0.000 -0.679) 0.679 1.741 ( 0.000 0.000 0.679) 0.679 1.800 ( 0.000 0.000 -0.010) 0.010 1.800 ( 0.000 0.000 0.010) 0.010 2.335 ( 0.000 0.000 -1.047) 1.047 2.335 ( 0.000 0.000 1.047) 1.047 2.349 ( 0.000 0.000 -0.112) 0.112 2.349 ( 0.000 0.000 0.112) 0.112 2.391 ( 0.000 0.000 -4.074) 4.074 2.391 ( 0.000 0.000 4.074) 4.074 2.402 ( 0.000 0.000 -1.785) 1.785 2.402 ( 0.000 0.000 1.785) 1.785 2.644 ( 0.000 0.000 -3.392) 3.392 2.644 ( 0.000 0.000 3.392) 3.392 2.702 ( 0.000 0.000 -0.137) 0.137 2.702 ( 0.000 0.000 0.137) 0.137 2.847 ( 0.000 0.000 -2.016) 2.016 2.847 ( 0.000 0.000 2.016) 2.016 2.948 ( 0.000 0.000 -6.683) 6.683 2.948 ( 0.000 0.000 6.683) 6.683 2.952 ( 0.000 0.000 -1.702) 1.702 2.952 ( 0.000 0.000 1.702) 1.702 3.191 ( 0.000 0.000 -0.196) 0.196 3.191 ( 0.000 0.000 0.196) 0.196 3.261 ( 0.000 0.000 -3.931) 3.931 3.261 ( 0.000 0.000 3.931) 3.931 3.325 ( 0.000 0.000 -1.811) 1.811 3.325 ( 0.000 0.000 1.811) 1.811 3.351 ( 0.000 0.000 -5.256) 5.256 3.351 ( 0.000 0.000 5.256) 5.256 3.518 ( 0.000 0.000 -3.059) 3.059 3.518 ( 0.000 0.000 3.059) 3.059 3.532 ( 0.000 0.000 -0.966) 0.966 3.532 ( 0.000 0.000 -0.555) 0.555 3.532 ( 0.000 0.000 0.555) 0.555 3.532 ( 0.000 0.000 0.966) 0.966 3.633 ( 0.000 0.000 -0.318) 0.318 3.633 ( 0.000 0.000 0.318) 0.318 3.664 ( 0.000 0.000 -5.048) 5.048 3.664 ( 0.000 0.000 5.048) 5.048 3.766 ( 0.000 0.000 -3.785) 3.785 3.766 ( 0.000 0.000 3.785) 3.785 3.859 ( 0.000 0.000 -2.971) 2.971 3.859 ( 0.000 0.000 2.971) 2.971 3.926 ( 0.000 0.000 -2.958) 2.958 3.926 ( 0.000 0.000 2.958) 2.958 3.944 ( 0.000 0.000 -2.273) 2.273 3.944 ( 0.000 0.000 2.273) 2.273 4.080 ( 0.000 0.000 -3.388) 3.388 4.080 ( 0.000 0.000 3.388) 3.388 4.128 ( 0.000 0.000 -2.582) 2.582 4.128 ( 0.000 0.000 2.582) 2.582 4.178 ( 0.000 0.000 -2.919) 2.919 4.178 ( 0.000 0.000 2.919) 2.919 4.182 ( 0.000 0.000 -0.535) 0.535 4.182 ( 0.000 0.000 0.535) 0.535 4.219 ( 0.000 0.000 -0.516) 0.516 4.219 ( 0.000 0.000 0.516) 0.516 4.286 ( 0.000 0.000 -1.515) 1.515 4.286 ( 0.000 0.000 1.515) 1.515 4.327 ( 0.000 0.000 -2.941) 2.941 4.327 ( 0.000 0.000 2.941) 2.941 4.426 ( 0.000 0.000 -0.038) 0.038 4.426 ( 0.000 0.000 0.038) 0.038 4.500 ( 0.000 0.000 -5.139) 5.139 4.500 ( 0.000 0.000 5.139) 5.139 4.597 ( 0.000 0.000 -4.227) 4.227 4.597 ( 0.000 0.000 4.227) 4.227 4.629 ( 0.000 0.000 -1.678) 1.678 4.629 ( 0.000 0.000 1.678) 1.678 4.645 ( 0.000 0.000 -0.221) 0.221 4.645 ( 0.000 0.000 0.221) 0.221 4.720 ( 0.000 0.000 -1.107) 1.107 4.720 ( 0.000 0.000 1.107) 1.107 4.732 ( 0.000 0.000 -1.309) 1.309 4.732 ( 0.000 0.000 1.309) 1.309 4.818 ( 0.000 0.000 -4.292) 4.292 4.818 ( 0.000 0.000 4.292) 4.292 4.833 ( 0.000 0.000 -0.117) 0.117 4.833 ( 0.000 0.000 0.117) 0.117 4.934 ( 0.000 0.000 -2.432) 2.432 4.934 ( 0.000 0.000 2.432) 2.432 5.038 ( 0.000 0.000 -1.966) 1.966 5.038 ( 0.000 0.000 1.966) 1.966 5.166 ( 0.000 0.000 -0.049) 0.049 5.166 ( 0.000 0.000 0.049) 0.049 5.221 ( 0.000 0.000 -1.124) 1.124 5.221 ( 0.000 0.000 1.124) 1.124 5.286 ( 0.000 0.000 -2.013) 2.013 5.286 ( 0.000 0.000 2.013) 2.013 5.339 ( 0.000 0.000 -4.794) 4.794 5.339 ( 0.000 0.000 4.794) 4.794 5.380 ( 0.000 0.000 -8.229) 8.229 5.380 ( 0.000 0.000 8.229) 8.229 5.550 ( 0.000 0.000 -2.107) 2.107 5.550 ( 0.000 0.000 2.107) 2.107 5.745 ( 0.000 0.000 -0.351) 0.351 5.745 ( 0.000 0.000 0.351) 0.351 5.762 ( 0.000 0.000 -0.910) 0.910 5.762 ( 0.000 0.000 0.910) 0.910 5.769 ( 0.000 0.000 -1.159) 1.159 5.769 ( 0.000 0.000 1.159) 1.159 5.857 ( 0.000 0.000 -0.540) 0.540 5.857 ( 0.000 0.000 0.540) 0.540 6.003 ( 0.000 0.000 -5.603) 5.603 6.003 ( 0.000 0.000 5.603) 5.603 6.094 ( 0.000 0.000 -3.797) 3.797 6.094 ( 0.000 0.000 3.797) 3.797 6.110 ( 0.000 0.000 -1.730) 1.730 6.110 ( 0.000 0.000 1.730) 1.730 6.128 ( 0.000 0.000 -2.135) 2.135 6.128 ( 0.000 0.000 2.135) 2.135 6.299 ( 0.000 0.000 -0.015) 0.015 6.299 ( 0.000 0.000 0.015) 0.015 6.308 ( 0.000 0.000 -0.903) 0.903 6.308 ( 0.000 0.000 0.903) 0.903 6.417 ( 0.000 0.000 -1.196) 1.196 6.417 ( 0.000 0.000 1.196) 1.196 6.446 ( 0.000 0.000 -2.525) 2.525 6.446 ( 0.000 0.000 2.525) 2.525 6.511 ( 0.000 0.000 -2.132) 2.132 6.511 ( 0.000 0.000 2.132) 2.132 6.630 ( 0.000 0.000 -0.459) 0.459 6.630 ( 0.000 0.000 0.459) 0.459 6.821 ( 0.000 0.000 -1.702) 1.702 6.821 ( 0.000 0.000 1.702) 1.702 7.378 ( 0.000 0.000 -0.546) 0.546 7.378 ( 0.000 0.000 0.546) 0.546 9.435 ( 0.000 0.000 -0.059) 0.059 9.435 ( 0.000 0.000 0.059) 0.059 9.554 ( 0.000 0.000 -0.063) 0.063 9.554 ( 0.000 0.000 0.063) 0.063 9.573 ( 0.000 0.000 -0.032) 0.032 9.573 ( 0.000 0.000 0.032) 0.032 9.671 ( 0.000 0.000 -0.083) 0.083 9.671 ( 0.000 0.000 0.083) 0.083 9.744 ( 0.000 0.000 -0.471) 0.471 9.744 ( 0.000 0.000 0.471) 0.471 9.753 ( 0.000 0.000 -0.124) 0.124 9.753 ( 0.000 0.000 0.124) 0.124 9.919 ( 0.000 0.000 -0.032) 0.032 9.919 ( 0.000 0.000 0.032) 0.032 10.025 ( 0.000 0.000 -0.043) 0.043 10.025 ( 0.000 0.000 0.043) 0.043 10.279 ( 0.000 0.000 -0.013) 0.013 10.279 ( 0.000 0.000 0.013) 0.013 10.315 ( 0.000 0.000 -0.016) 0.016 10.315 ( 0.000 0.000 0.016) 0.016 10.372 ( 0.000 0.000 -0.214) 0.214 10.372 ( 0.000 0.000 0.214) 0.214 10.465 ( 0.000 0.000 -0.070) 0.070 10.465 ( 0.000 0.000 0.070) 0.070 10.921 ( 0.000 0.000 -0.044) 0.044 10.921 ( 0.000 0.000 0.044) 0.044 10.925 ( 0.000 0.000 -0.058) 0.058 10.925 ( 0.000 0.000 0.058) 0.058 10.943 ( 0.000 0.000 -0.223) 0.223 10.943 ( 0.000 0.000 0.223) 0.223 10.966 ( 0.000 0.000 -0.050) 0.050 10.966 ( 0.000 0.000 0.050) 0.050 11.092 ( 0.000 0.000 -0.201) 0.201 11.092 ( 0.000 0.000 0.201) 0.201 11.109 ( 0.000 0.000 -0.010) 0.010 11.109 ( 0.000 0.000 0.010) 0.010 11.167 ( 0.000 0.000 -0.521) 0.521 11.167 ( 0.000 0.000 0.521) 0.521 11.214 ( 0.000 0.000 -0.010) 0.010 11.214 ( 0.000 0.000 0.010) 0.010 ======================= Grid point 37 (14/24) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 3.863 0.000 -7.501) 8.437 0.315 ( 3.863 0.000 7.501) 8.437 0.381 ( 8.152 0.000 -6.319) 10.314 0.381 ( 8.152 0.000 6.319) 10.314 0.465 ( 2.266 0.000 -5.242) 5.711 0.465 ( 2.266 0.000 5.242) 5.711 0.670 ( 2.589 0.000 -4.602) 5.280 0.670 ( 2.589 0.000 4.602) 5.280 0.726 ( -3.568 0.000 -3.783) 5.201 0.726 ( -3.568 0.000 3.783) 5.201 0.800 ( 9.094 0.000 -14.298) 16.945 0.800 ( 9.094 0.000 14.298) 16.945 0.865 ( -1.397 0.000 -3.355) 3.634 0.865 ( -1.397 0.000 3.355) 3.634 0.918 ( -2.387 0.000 -1.439) 2.787 0.918 ( -2.387 0.000 1.439) 2.787 0.998 ( -3.292 0.000 -0.725) 3.371 0.998 ( -3.292 0.000 0.725) 3.371 1.004 ( 4.085 0.000 -1.818) 4.472 1.004 ( 4.085 0.000 1.818) 4.472 1.039 ( -3.219 0.000 -0.652) 3.284 1.039 ( -3.219 0.000 0.652) 3.284 1.058 ( -4.108 0.000 -0.529) 4.142 1.058 ( -4.108 0.000 0.529) 4.142 1.154 ( 6.976 0.000 -2.850) 7.536 1.154 ( 6.976 0.000 2.850) 7.536 1.206 ( 3.432 0.000 -0.124) 3.434 1.206 ( 3.432 0.000 0.124) 3.434 1.338 ( -1.787 0.000 -4.084) 4.458 1.338 ( -1.787 0.000 4.084) 4.458 1.455 ( -0.807 0.000 -0.036) 0.808 1.455 ( -0.807 0.000 0.036) 0.808 1.462 ( 3.590 0.000 -4.713) 5.925 1.462 ( 3.590 0.000 4.713) 5.925 1.519 ( 3.581 0.000 -0.957) 3.706 1.519 ( 3.581 0.000 0.957) 3.706 1.577 ( 5.091 0.000 -0.745) 5.146 1.577 ( 5.091 0.000 0.745) 5.146 1.618 ( 3.567 0.000 -0.559) 3.611 1.618 ( 3.567 0.000 0.559) 3.611 1.646 ( -1.797 0.000 -1.016) 2.064 1.646 ( -1.797 0.000 1.016) 2.064 1.664 ( -0.487 0.000 -1.057) 1.164 1.664 ( -0.487 0.000 1.057) 1.164 1.674 ( -2.166 0.000 -1.384) 2.570 1.674 ( -2.166 0.000 1.384) 2.570 1.721 ( -0.177 0.000 -0.217) 0.280 1.721 ( -0.177 0.000 0.217) 0.280 1.755 ( 1.232 0.000 -0.139) 1.239 1.755 ( 1.232 0.000 0.139) 1.239 1.787 ( -1.405 0.000 -0.024) 1.405 1.787 ( -1.405 0.000 0.024) 1.405 2.268 ( -5.188 0.000 -1.245) 5.335 2.268 ( -5.188 0.000 1.245) 5.335 2.315 ( -2.512 0.000 -1.135) 2.756 2.315 ( -2.512 0.000 1.135) 2.756 2.357 ( -3.062 0.000 -0.770) 3.158 2.357 ( -3.062 0.000 0.770) 3.158 2.410 ( -1.221 0.000 -3.772) 3.964 2.410 ( -1.221 0.000 3.772) 3.964 2.646 ( -0.595 0.000 -3.117) 3.173 2.646 ( -0.595 0.000 3.117) 3.173 2.672 ( -0.941 0.000 -1.167) 1.499 2.672 ( -0.941 0.000 1.167) 1.499 2.868 ( 0.667 0.000 -1.520) 1.660 2.868 ( 0.667 0.000 1.520) 1.660 2.903 ( -1.471 0.000 -2.438) 2.848 2.903 ( -1.471 0.000 2.438) 2.848 3.012 ( 2.541 0.000 -5.599) 6.149 3.012 ( 2.541 0.000 5.599) 6.149 3.204 ( -2.202 0.000 -2.262) 3.157 3.204 ( -2.202 0.000 2.262) 3.157 3.251 ( 2.552 0.000 -4.556) 5.222 3.251 ( 2.552 0.000 4.556) 5.222 3.308 ( -0.612 0.000 -0.313) 0.688 3.308 ( -0.612 0.000 0.313) 0.688 3.391 ( -0.196 0.000 -3.735) 3.740 3.391 ( -0.196 0.000 3.735) 3.740 3.502 ( 2.635 0.000 -1.018) 2.825 3.502 ( 2.635 0.000 1.018) 2.825 3.523 ( 0.445 0.000 -2.707) 2.744 3.523 ( 0.445 0.000 2.707) 2.744 3.567 ( -3.952 0.000 -2.263) 4.554 3.567 ( -3.952 0.000 2.263) 4.554 3.593 ( 1.014 0.000 -2.255) 2.472 3.593 ( 1.014 0.000 2.255) 2.472 3.655 ( -0.552 0.000 -3.980) 4.018 3.655 ( -0.552 0.000 3.980) 4.018 3.733 ( -1.729 0.000 -0.044) 1.729 3.733 ( -1.729 0.000 0.044) 1.729 3.816 ( -4.842 0.000 -2.018) 5.246 3.816 ( -4.842 0.000 2.018) 5.246 3.906 ( 2.562 0.000 -2.849) 3.832 3.906 ( 2.562 0.000 2.849) 3.832 4.009 ( 2.475 0.000 -0.356) 2.501 4.009 ( 2.475 0.000 0.356) 2.501 4.074 ( -0.892 0.000 -2.853) 2.989 4.074 ( -0.892 0.000 2.853) 2.989 4.114 ( -1.136 0.000 -1.518) 1.896 4.114 ( -1.136 0.000 1.518) 1.896 4.153 ( -1.859 0.000 -1.164) 2.194 4.153 ( -1.859 0.000 1.164) 2.194 4.186 ( -2.270 0.000 -1.882) 2.948 4.186 ( -2.270 0.000 1.882) 2.948 4.254 ( 3.920 0.000 -1.353) 4.147 4.254 ( 3.920 0.000 1.353) 4.147 4.339 ( 3.039 0.000 -2.391) 3.867 4.339 ( 3.039 0.000 2.391) 3.867 4.401 ( 5.361 0.000 -1.305) 5.517 4.401 ( 5.361 0.000 1.305) 5.517 4.442 ( 2.007 0.000 -0.185) 2.016 4.442 ( 2.007 0.000 0.185) 2.016 4.483 ( -2.849 0.000 -0.219) 2.857 4.483 ( -2.849 0.000 0.219) 2.857 4.526 ( -2.166 0.000 -0.460) 2.215 4.526 ( -2.166 0.000 0.460) 2.215 4.620 ( -1.086 0.000 -0.992) 1.471 4.620 ( -1.086 0.000 0.992) 1.471 4.671 ( -2.314 0.000 -2.844) 3.667 4.671 ( -2.314 0.000 2.844) 3.667 4.686 ( -1.500 0.000 -1.615) 2.204 4.686 ( -1.500 0.000 1.615) 2.204 4.785 ( 3.778 0.000 -1.110) 3.938 4.785 ( 3.778 0.000 1.110) 3.938 4.815 ( 5.174 0.000 -1.462) 5.377 4.815 ( 5.174 0.000 1.462) 5.377 4.869 ( -2.807 0.000 -0.533) 2.857 4.869 ( -2.807 0.000 0.533) 2.857 4.966 ( 0.784 0.000 -1.656) 1.832 4.966 ( 0.784 0.000 1.656) 1.832 5.035 ( 8.093 0.000 -0.951) 8.149 5.035 ( 8.093 0.000 0.951) 8.149 5.165 ( -0.480 0.000 -1.154) 1.250 5.165 ( -0.480 0.000 1.154) 1.250 5.264 ( -0.068 0.000 -1.010) 1.012 5.264 ( -0.068 0.000 1.010) 1.012 5.284 ( 1.271 0.000 -0.898) 1.557 5.284 ( 1.271 0.000 0.898) 1.557 5.344 ( -1.081 0.000 -6.934) 7.017 5.344 ( -1.081 0.000 6.934) 7.017 5.447 ( 4.503 0.000 -0.973) 4.607 5.447 ( 4.503 0.000 0.973) 4.607 5.504 ( -1.699 0.000 -0.801) 1.878 5.504 ( -1.699 0.000 0.801) 1.878 5.615 ( -7.063 0.000 -0.115) 7.064 5.615 ( -7.063 0.000 0.115) 7.064 5.736 ( -1.980 0.000 -0.092) 1.983 5.736 ( -1.980 0.000 0.092) 1.983 5.824 ( 1.247 0.000 -0.504) 1.345 5.824 ( 1.247 0.000 0.504) 1.345 5.904 ( 2.685 0.000 -0.106) 2.687 5.904 ( 2.685 0.000 0.106) 2.687 5.977 ( -6.382 0.000 -0.629) 6.413 5.977 ( -6.382 0.000 0.629) 6.413 6.040 ( 2.641 0.000 -4.908) 5.574 6.040 ( 2.641 0.000 4.908) 5.574 6.111 ( -0.975 0.000 -0.697) 1.198 6.111 ( -0.975 0.000 0.697) 1.198 6.171 ( 1.234 0.000 -5.344) 5.485 6.171 ( 1.234 0.000 5.344) 5.485 6.304 ( -0.175 0.000 -0.039) 0.179 6.304 ( -0.175 0.000 0.039) 0.179 6.342 ( 2.157 0.000 -1.384) 2.563 6.342 ( 2.157 0.000 1.384) 2.563 6.420 ( 1.245 0.000 -2.773) 3.040 6.420 ( 1.245 0.000 2.773) 3.040 6.452 ( 0.252 0.000 -1.774) 1.792 6.452 ( 0.252 0.000 1.774) 1.792 6.515 ( 0.646 0.000 -2.668) 2.746 6.515 ( 0.646 0.000 2.668) 2.746 6.605 ( -1.990 0.000 -2.302) 3.043 6.605 ( -1.990 0.000 2.302) 3.043 6.808 ( -1.183 0.000 -0.495) 1.282 6.808 ( -1.183 0.000 0.495) 1.282 7.090 ( -17.113 0.000 -9.179) 19.419 7.090 ( -17.113 0.000 9.179) 19.419 9.446 ( 1.144 0.000 -0.002) 1.144 9.446 ( 1.144 0.000 0.002) 1.144 9.556 ( 0.152 0.000 -0.079) 0.171 9.556 ( 0.152 0.000 0.079) 0.171 9.563 ( -1.069 0.000 -0.112) 1.075 9.563 ( -1.069 0.000 0.112) 1.075 9.625 ( -3.153 0.000 -0.186) 3.158 9.625 ( -3.153 0.000 0.186) 3.158 9.756 ( 1.298 0.000 -0.272) 1.326 9.756 ( 1.298 0.000 0.272) 1.326 9.782 ( 2.315 0.000 -0.029) 2.316 9.782 ( 2.315 0.000 0.029) 2.316 9.903 ( -2.115 0.000 -0.494) 2.172 9.903 ( -2.115 0.000 0.494) 2.172 9.924 ( -4.130 0.000 -2.802) 4.991 9.924 ( -4.130 0.000 2.802) 4.991 10.287 ( 0.871 0.000 -0.007) 0.871 10.287 ( 0.871 0.000 0.007) 0.871 10.362 ( -0.798 0.000 -0.218) 0.828 10.362 ( -0.798 0.000 0.218) 0.828 10.393 ( 3.274 0.000 -1.869) 3.770 10.393 ( 3.274 0.000 1.869) 3.770 10.463 ( -0.225 0.000 -0.090) 0.242 10.463 ( -0.225 0.000 0.090) 0.242 10.924 ( 0.060 0.000 -0.091) 0.109 10.924 ( 0.060 0.000 0.091) 0.109 10.925 ( 0.224 0.000 -0.021) 0.225 10.925 ( 0.224 0.000 0.021) 0.225 10.965 ( 0.899 0.000 -0.372) 0.973 10.965 ( 0.899 0.000 0.372) 0.973 10.989 ( 1.023 0.000 -0.533) 1.153 10.989 ( 1.023 0.000 0.533) 1.153 11.106 ( 0.626 0.000 -0.676) 0.921 11.106 ( 0.626 0.000 0.676) 0.921 11.143 ( 1.819 0.000 -1.020) 2.085 11.143 ( 1.819 0.000 1.020) 2.085 11.165 ( 0.260 0.000 -0.985) 1.019 11.165 ( 0.260 0.000 0.985) 1.019 11.214 ( -0.145 0.000 -0.709) 0.724 11.214 ( -0.145 0.000 0.709) 0.724 ======================= Grid point 39 (15/24) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 6.671 0.000 -1.378) 6.812 0.436 ( 6.671 0.000 1.378) 6.812 0.514 ( 1.585 0.000 -0.433) 1.643 0.514 ( 1.585 0.000 0.433) 1.643 0.554 ( 7.401 0.000 -3.066) 8.011 0.554 ( 7.401 0.000 3.066) 8.011 0.654 ( -0.329 0.000 -3.747) 3.761 0.654 ( -0.329 0.000 3.747) 3.761 0.725 ( 1.199 0.000 -2.288) 2.583 0.725 ( 1.199 0.000 2.288) 2.583 0.763 ( -3.767 0.000 -2.232) 4.379 0.763 ( -3.767 0.000 2.232) 4.379 0.813 ( -7.172 0.000 -4.044) 8.233 0.813 ( -7.172 0.000 4.044) 8.233 0.837 ( -5.685 0.000 -0.076) 5.685 0.837 ( -5.685 0.000 0.076) 5.685 0.980 ( -0.050 0.000 -0.331) 0.335 0.980 ( -0.050 0.000 0.331) 0.335 0.989 ( -0.894 0.000 -0.485) 1.017 0.989 ( -0.894 0.000 0.485) 1.017 1.116 ( 8.803 0.000 -4.674) 9.967 1.116 ( 8.803 0.000 4.674) 9.967 1.171 ( 9.882 0.000 -3.730) 10.563 1.171 ( 9.882 0.000 3.730) 10.563 1.240 ( -2.811 0.000 -1.092) 3.016 1.240 ( -2.811 0.000 1.092) 3.016 1.294 ( 5.180 0.000 -1.723) 5.459 1.294 ( 5.180 0.000 1.723) 5.459 1.352 ( 3.863 0.000 -0.633) 3.915 1.352 ( 3.863 0.000 0.633) 3.915 1.384 ( -2.427 0.000 -0.053) 2.427 1.384 ( -2.427 0.000 0.053) 2.427 1.457 ( -4.138 0.000 -0.966) 4.250 1.457 ( -4.138 0.000 0.966) 4.250 1.524 ( -8.264 0.000 -2.100) 8.527 1.524 ( -8.264 0.000 2.100) 8.527 1.611 ( 2.110 0.000 -2.090) 2.969 1.611 ( 2.110 0.000 2.090) 2.969 1.625 ( -0.104 0.000 -2.011) 2.014 1.625 ( -0.104 0.000 2.011) 2.014 1.659 ( 4.174 0.000 -0.301) 4.185 1.659 ( 4.174 0.000 0.301) 4.185 1.677 ( 1.768 0.000 -0.392) 1.811 1.677 ( 1.768 0.000 0.392) 1.811 1.710 ( 0.199 0.000 -0.494) 0.532 1.710 ( 0.199 0.000 0.494) 0.532 1.742 ( -2.884 0.000 -0.215) 2.892 1.742 ( -2.884 0.000 0.215) 2.892 1.757 ( 3.665 0.000 -0.156) 3.669 1.757 ( 3.665 0.000 0.156) 3.669 1.789 ( 1.285 0.000 -0.252) 1.309 1.789 ( 1.285 0.000 0.252) 1.309 2.210 ( 0.048 0.000 -2.596) 2.596 2.210 ( 0.048 0.000 2.596) 2.596 2.253 ( -3.178 0.000 -0.686) 3.251 2.253 ( -3.178 0.000 0.686) 3.251 2.308 ( -1.347 0.000 -0.571) 1.463 2.308 ( -1.347 0.000 0.571) 1.463 2.343 ( -4.540 0.000 -0.202) 4.545 2.343 ( -4.540 0.000 0.202) 4.545 2.637 ( 0.646 0.000 -0.406) 0.763 2.637 ( 0.646 0.000 0.406) 0.763 2.661 ( -1.143 0.000 -0.594) 1.288 2.661 ( -1.143 0.000 0.594) 1.288 2.869 ( 0.411 0.000 -1.407) 1.466 2.869 ( 0.411 0.000 1.407) 1.466 2.886 ( -0.927 0.000 -1.770) 1.997 2.886 ( -0.927 0.000 1.770) 1.997 3.065 ( 3.364 0.000 -5.454) 6.408 3.065 ( 3.364 0.000 5.454) 6.408 3.139 ( -3.978 0.000 -3.439) 5.259 3.139 ( -3.978 0.000 3.439) 5.259 3.295 ( 0.911 0.000 -4.356) 4.450 3.295 ( 0.911 0.000 4.356) 4.450 3.299 ( -0.199 0.000 -1.670) 1.681 3.299 ( -0.199 0.000 1.670) 1.681 3.391 ( 2.069 0.000 -2.904) 3.565 3.391 ( 2.069 0.000 2.904) 3.565 3.466 ( -4.940 0.000 -0.734) 4.994 3.466 ( -4.940 0.000 0.734) 4.994 3.541 ( 1.347 0.000 -2.147) 2.535 3.541 ( 1.347 0.000 2.147) 2.535 3.556 ( 0.652 0.000 -1.285) 1.441 3.556 ( 0.652 0.000 1.285) 1.441 3.645 ( 3.032 0.000 -0.963) 3.181 3.645 ( 3.032 0.000 0.963) 3.181 3.671 ( 2.899 0.000 -7.198) 7.760 3.671 ( 2.899 0.000 7.198) 7.760 3.700 ( -2.166 0.000 -0.494) 2.221 3.700 ( -2.166 0.000 0.494) 2.221 3.736 ( -3.386 0.000 -6.148) 7.019 3.736 ( -3.386 0.000 6.148) 7.019 3.964 ( 3.318 0.000 -2.886) 4.397 3.964 ( 3.318 0.000 2.886) 4.397 4.028 ( -2.388 0.000 -1.460) 2.799 4.028 ( -2.388 0.000 1.460) 2.799 4.055 ( 0.949 0.000 -0.917) 1.320 4.055 ( 0.949 0.000 0.917) 1.320 4.084 ( -2.136 0.000 -1.250) 2.475 4.084 ( -2.136 0.000 1.250) 2.475 4.120 ( -0.404 0.000 -1.603) 1.654 4.120 ( -0.404 0.000 1.603) 1.654 4.140 ( -1.940 0.000 -0.828) 2.109 4.140 ( -1.940 0.000 0.828) 2.109 4.320 ( 3.065 0.000 -0.937) 3.205 4.320 ( 3.065 0.000 0.937) 3.205 4.381 ( -1.488 0.000 -0.432) 1.549 4.381 ( -1.488 0.000 0.432) 1.549 4.413 ( 0.118 0.000 -3.821) 3.822 4.413 ( 0.118 0.000 3.821) 3.822 4.441 ( -0.574 0.000 -1.081) 1.224 4.441 ( -0.574 0.000 1.081) 1.224 4.504 ( 2.719 0.000 -0.437) 2.754 4.504 ( 2.719 0.000 0.437) 2.754 4.537 ( 0.680 0.000 -1.779) 1.904 4.537 ( 0.680 0.000 1.779) 1.904 4.595 ( 0.113 0.000 -0.173) 0.207 4.595 ( 0.113 0.000 0.173) 0.207 4.625 ( -1.945 0.000 -1.645) 2.548 4.625 ( -1.945 0.000 1.645) 2.548 4.669 ( 0.362 0.000 -0.928) 0.996 4.669 ( 0.362 0.000 0.928) 0.996 4.728 ( -5.607 0.000 -0.371) 5.620 4.728 ( -5.607 0.000 0.371) 5.620 4.915 ( 5.958 0.000 -2.549) 6.480 4.915 ( 5.958 0.000 2.549) 6.480 4.961 ( 5.003 0.000 -5.020) 7.087 4.961 ( 5.003 0.000 5.020) 7.087 5.007 ( 3.156 0.000 -0.037) 3.157 5.007 ( 3.156 0.000 0.037) 3.157 5.125 ( -4.597 0.000 -3.251) 5.630 5.125 ( -4.597 0.000 3.251) 5.630 5.198 ( 6.965 0.000 -0.223) 6.969 5.198 ( 6.965 0.000 0.223) 6.969 5.248 ( -0.716 0.000 -0.999) 1.229 5.248 ( -0.716 0.000 0.999) 1.229 5.275 ( -1.119 0.000 -1.602) 1.954 5.275 ( -1.119 0.000 1.602) 1.954 5.352 ( -7.115 0.000 -0.539) 7.136 5.352 ( -7.115 0.000 0.539) 7.136 5.376 ( 5.375 0.000 -5.472) 7.670 5.376 ( 5.375 0.000 5.472) 7.670 5.498 ( -5.819 0.000 -0.096) 5.819 5.498 ( -5.819 0.000 0.096) 5.819 5.613 ( 5.089 0.000 -0.581) 5.122 5.613 ( 5.089 0.000 0.581) 5.122 5.686 ( -3.370 0.000 -0.466) 3.402 5.686 ( -3.370 0.000 0.466) 3.402 5.843 ( 2.202 0.000 -4.369) 4.893 5.843 ( 2.202 0.000 4.369) 4.893 5.891 ( -2.344 0.000 -2.752) 3.614 5.891 ( -2.344 0.000 2.752) 3.614 5.951 ( 2.568 0.000 -0.439) 2.606 5.951 ( 2.568 0.000 0.439) 2.606 6.029 ( -4.346 0.000 -2.813) 5.176 6.029 ( -4.346 0.000 2.813) 5.176 6.122 ( 2.268 0.000 -1.044) 2.497 6.122 ( 2.268 0.000 1.044) 2.497 6.162 ( -1.638 0.000 -2.820) 3.261 6.162 ( -1.638 0.000 2.820) 3.261 6.310 ( 1.409 0.000 -3.047) 3.358 6.310 ( 1.409 0.000 3.047) 3.358 6.348 ( -1.684 0.000 -4.106) 4.438 6.348 ( -1.684 0.000 4.106) 4.438 6.446 ( 0.952 0.000 -0.819) 1.256 6.446 ( 0.952 0.000 0.819) 1.256 6.456 ( 0.078 0.000 -1.509) 1.511 6.456 ( 0.078 0.000 1.509) 1.511 6.545 ( 2.219 0.000 -2.951) 3.692 6.545 ( 2.219 0.000 2.951) 3.692 6.578 ( -1.051 0.000 -3.155) 3.326 6.578 ( -1.051 0.000 3.155) 3.326 6.796 ( 0.798 0.000 -0.347) 0.870 6.796 ( 0.798 0.000 0.347) 0.870 6.867 ( -6.978 0.000 -2.761) 7.505 6.867 ( -6.978 0.000 2.761) 7.505 9.478 ( 2.203 0.000 -0.248) 2.217 9.478 ( 2.203 0.000 0.248) 2.217 9.526 ( -2.539 0.000 -0.409) 2.572 9.526 ( -2.539 0.000 0.409) 2.572 9.563 ( 0.553 0.000 -0.126) 0.567 9.563 ( 0.553 0.000 0.126) 0.567 9.580 ( -1.397 0.000 -0.190) 1.410 9.580 ( -1.397 0.000 0.190) 1.410 9.791 ( 2.203 0.000 -0.260) 2.218 9.791 ( 2.203 0.000 0.260) 2.218 9.826 ( 1.137 0.000 -0.406) 1.208 9.826 ( 1.137 0.000 0.406) 1.208 9.847 ( -1.571 0.000 -0.829) 1.776 9.847 ( -1.571 0.000 0.829) 1.776 9.879 ( -2.124 0.000 -0.166) 2.131 9.879 ( -2.124 0.000 0.166) 2.131 10.310 ( 1.465 0.000 -0.085) 1.467 10.310 ( 1.465 0.000 0.085) 1.467 10.339 ( -1.458 0.000 -0.175) 1.468 10.339 ( -1.458 0.000 0.175) 1.468 10.436 ( 1.454 0.000 -0.642) 1.589 10.436 ( 1.454 0.000 0.642) 1.589 10.455 ( -0.624 0.000 -0.202) 0.656 10.455 ( -0.624 0.000 0.202) 0.656 10.926 ( 0.131 0.000 -0.066) 0.147 10.926 ( 0.131 0.000 0.066) 0.147 10.927 ( -0.004 0.000 -0.001) 0.005 10.927 ( -0.004 0.000 0.001) 0.005 10.982 ( 0.864 0.000 -0.625) 1.066 10.982 ( 0.864 0.000 0.625) 1.066 10.994 ( -0.286 0.000 -0.380) 0.476 10.994 ( -0.286 0.000 0.380) 0.476 11.120 ( 0.930 0.000 -0.511) 1.061 11.120 ( 0.930 0.000 0.511) 1.061 11.139 ( -0.948 0.000 -0.335) 1.006 11.139 ( -0.948 0.000 0.335) 1.006 11.188 ( 1.156 0.000 -1.184) 1.655 11.188 ( 1.156 0.000 1.184) 1.655 11.206 ( -0.728 0.000 -1.047) 1.275 11.206 ( -0.728 0.000 1.047) 1.275 ======================= Grid point 45 (16/24) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 6.694 -9.004) 11.219 0.414 ( 0.000 6.694 9.004) 11.219 0.444 ( 0.000 7.992 -9.339) 12.292 0.444 ( 0.000 7.992 9.339) 12.292 0.495 ( 0.000 5.353 -4.421) 6.943 0.495 ( 0.000 5.353 4.421) 6.943 0.652 ( 0.000 1.220 -3.604) 3.805 0.652 ( 0.000 1.220 3.604) 3.805 0.786 ( 0.000 11.086 -8.477) 13.956 0.786 ( 0.000 11.086 8.477) 13.956 0.870 ( 0.000 -2.198 -4.247) 4.782 0.870 ( 0.000 -2.198 4.247) 4.782 0.876 ( 0.000 6.938 -2.551) 7.392 0.876 ( 0.000 6.938 2.551) 7.392 0.941 ( 0.000 1.809 -2.424) 3.025 0.941 ( 0.000 1.809 2.424) 3.025 1.008 ( 0.000 1.050 -1.756) 2.046 1.008 ( 0.000 1.050 1.756) 2.046 1.071 ( 0.000 2.118 -0.387) 2.154 1.071 ( 0.000 2.118 0.387) 2.154 1.083 ( 0.000 2.814 -1.594) 3.234 1.083 ( 0.000 2.814 1.594) 3.234 1.114 ( 0.000 2.517 -0.596) 2.586 1.114 ( 0.000 2.517 0.596) 2.586 1.158 ( 0.000 7.339 -1.222) 7.440 1.158 ( 0.000 7.339 1.222) 7.440 1.190 ( 0.000 1.874 -2.088) 2.806 1.190 ( 0.000 1.874 2.088) 2.806 1.380 ( 0.000 0.452 -0.130) 0.470 1.380 ( 0.000 0.452 0.130) 0.470 1.420 ( 0.000 -0.447 -1.656) 1.716 1.420 ( 0.000 -0.447 1.656) 1.716 1.483 ( 0.000 2.074 -1.984) 2.870 1.483 ( 0.000 2.074 1.984) 2.870 1.490 ( 0.000 3.385 -3.853) 5.129 1.490 ( 0.000 3.385 3.853) 5.129 1.508 ( 0.000 0.423 -1.012) 1.097 1.508 ( 0.000 0.423 1.012) 1.097 1.557 ( 0.000 -1.344 -2.089) 2.484 1.557 ( 0.000 -1.344 2.089) 2.484 1.646 ( 0.000 0.449 -2.030) 2.080 1.646 ( 0.000 0.449 2.030) 2.080 1.670 ( 0.000 -2.270 -1.867) 2.939 1.670 ( 0.000 -2.270 1.867) 2.939 1.714 ( 0.000 1.148 -1.179) 1.646 1.714 ( 0.000 1.148 1.179) 1.646 1.720 ( 0.000 -1.515 -0.714) 1.675 1.720 ( 0.000 -1.515 0.714) 1.675 1.745 ( 0.000 1.220 -1.615) 2.024 1.745 ( 0.000 1.220 1.615) 2.024 1.773 ( 0.000 -2.601 -0.148) 2.605 1.773 ( 0.000 -2.601 0.148) 2.605 2.291 ( 0.000 -4.357 -1.714) 4.682 2.291 ( 0.000 -4.357 1.714) 4.682 2.306 ( 0.000 -3.352 -0.418) 3.378 2.306 ( 0.000 -3.352 0.418) 3.378 2.338 ( 0.000 -3.460 -1.007) 3.604 2.338 ( 0.000 -3.460 1.007) 3.604 2.422 ( 0.000 -0.359 -4.115) 4.131 2.422 ( 0.000 -0.359 4.115) 4.131 2.675 ( 0.000 3.220 -2.702) 4.203 2.675 ( 0.000 3.220 2.702) 4.203 2.730 ( 0.000 2.389 -3.018) 3.849 2.730 ( 0.000 2.389 3.018) 3.849 2.811 ( 0.000 -2.861 -1.216) 3.109 2.811 ( 0.000 -2.861 1.216) 3.109 2.951 ( 0.000 -0.866 -4.401) 4.485 2.951 ( 0.000 -0.866 4.401) 4.485 2.962 ( 0.000 1.582 -4.837) 5.089 2.962 ( 0.000 1.582 4.837) 5.089 3.175 ( 0.000 -1.058 -0.806) 1.330 3.175 ( 0.000 -1.058 0.806) 1.330 3.186 ( 0.000 -3.821 -1.404) 4.071 3.186 ( 0.000 -3.821 1.404) 4.071 3.256 ( 0.000 -5.873 -0.508) 5.895 3.256 ( 0.000 -5.873 0.508) 5.895 3.343 ( 0.000 -1.270 -5.631) 5.772 3.343 ( 0.000 -1.270 5.631) 5.772 3.494 ( 0.000 -3.415 -4.309) 5.498 3.494 ( 0.000 -3.415 4.309) 5.498 3.514 ( 0.000 -1.086 -4.833) 4.953 3.514 ( 0.000 -1.086 4.833) 4.953 3.554 ( 0.000 -0.142 -3.438) 3.441 3.554 ( 0.000 -0.142 3.438) 3.441 3.624 ( 0.000 -0.521 -1.545) 1.630 3.624 ( 0.000 -0.521 1.545) 1.630 3.661 ( 0.000 -1.258 -4.199) 4.383 3.661 ( 0.000 -1.258 4.199) 4.383 3.755 ( 0.000 -0.752 -4.694) 4.754 3.755 ( 0.000 -0.752 4.694) 4.754 3.859 ( 0.000 -1.212 -2.384) 2.674 3.859 ( 0.000 -1.212 2.384) 2.674 3.889 ( 0.000 -4.686 -3.177) 5.661 3.889 ( 0.000 -4.686 3.177) 5.661 3.937 ( 0.000 2.789 -4.518) 5.309 3.937 ( 0.000 2.789 4.518) 5.309 4.005 ( 0.000 -6.414 -1.169) 6.520 4.005 ( 0.000 -6.414 1.169) 6.520 4.118 ( 0.000 2.007 -1.939) 2.791 4.118 ( 0.000 2.007 1.939) 2.791 4.129 ( 0.000 0.256 -2.031) 2.047 4.129 ( 0.000 0.256 2.031) 2.047 4.229 ( 0.000 4.034 -0.714) 4.097 4.229 ( 0.000 4.034 0.714) 4.097 4.246 ( 0.000 -0.952 -2.457) 2.635 4.246 ( 0.000 -0.952 2.457) 2.635 4.350 ( 0.000 -0.836 -0.328) 0.898 4.350 ( 0.000 -0.836 0.328) 0.898 4.364 ( 0.000 2.820 -2.445) 3.733 4.364 ( 0.000 2.820 2.445) 3.733 4.420 ( 0.000 -0.016 -1.246) 1.246 4.420 ( 0.000 -0.016 1.246) 1.246 4.474 ( 0.000 -2.089 -4.082) 4.585 4.474 ( 0.000 -2.089 4.082) 4.585 4.601 ( 0.000 -2.892 -1.572) 3.291 4.601 ( 0.000 -2.892 1.572) 3.291 4.629 ( 0.000 1.157 -0.915) 1.474 4.629 ( 0.000 1.157 0.915) 1.474 4.657 ( 0.000 5.745 -4.178) 7.103 4.657 ( 0.000 5.745 4.178) 7.103 4.719 ( 0.000 -0.149 -0.246) 0.288 4.719 ( 0.000 -0.149 0.246) 0.288 4.748 ( 0.000 2.193 -4.430) 4.943 4.748 ( 0.000 2.193 4.430) 4.943 4.838 ( 0.000 1.521 -3.595) 3.903 4.838 ( 0.000 1.521 3.595) 3.903 4.863 ( 0.000 3.273 -1.930) 3.800 4.863 ( 0.000 3.273 1.930) 3.800 5.030 ( 0.000 5.592 -1.416) 5.768 5.030 ( 0.000 5.592 1.416) 5.768 5.088 ( 0.000 5.262 -0.408) 5.278 5.088 ( 0.000 5.262 0.408) 5.278 5.089 ( 0.000 -3.959 -2.598) 4.735 5.089 ( 0.000 -3.959 2.598) 4.735 5.225 ( 0.000 0.857 -0.634) 1.066 5.225 ( 0.000 0.857 0.634) 1.066 5.367 ( 0.000 2.512 -4.780) 5.400 5.367 ( 0.000 2.512 4.780) 5.400 5.383 ( 0.000 6.108 -5.580) 8.273 5.383 ( 0.000 6.108 5.580) 8.273 5.415 ( 0.000 3.248 -7.781) 8.431 5.415 ( 0.000 3.248 7.781) 8.431 5.568 ( 0.000 1.869 -2.561) 3.171 5.568 ( 0.000 1.869 2.561) 3.171 5.684 ( 0.000 -2.698 -1.567) 3.120 5.684 ( 0.000 -2.698 1.567) 3.120 5.694 ( 0.000 -4.008 -0.544) 4.045 5.694 ( 0.000 -4.008 0.544) 4.045 5.842 ( 0.000 1.683 -2.359) 2.898 5.842 ( 0.000 1.683 2.359) 2.898 5.862 ( 0.000 0.040 -0.801) 0.802 5.862 ( 0.000 0.040 0.801) 0.802 5.997 ( 0.000 -0.479 -5.706) 5.726 5.997 ( 0.000 -0.479 5.706) 5.726 6.078 ( 0.000 -1.365 -1.860) 2.307 6.078 ( 0.000 -1.365 1.860) 2.307 6.107 ( 0.000 -0.404 -1.568) 1.619 6.107 ( 0.000 -0.404 1.568) 1.619 6.112 ( 0.000 -1.180 -1.294) 1.751 6.112 ( 0.000 -1.180 1.294) 1.751 6.298 ( 0.000 -0.292 -1.220) 1.255 6.298 ( 0.000 -0.292 1.220) 1.255 6.328 ( 0.000 -1.511 -1.710) 2.282 6.328 ( 0.000 -1.511 1.710) 2.282 6.410 ( 0.000 -2.901 -2.738) 3.989 6.410 ( 0.000 -2.901 2.738) 3.989 6.444 ( 0.000 2.321 -4.554) 5.111 6.444 ( 0.000 2.321 4.554) 5.111 6.480 ( 0.000 -3.076 -1.328) 3.351 6.480 ( 0.000 -3.076 1.328) 3.351 6.660 ( 0.000 2.607 -0.731) 2.708 6.660 ( 0.000 2.607 0.731) 2.708 6.801 ( 0.000 -2.090 -1.814) 2.768 6.801 ( 0.000 -2.090 1.814) 2.768 7.079 ( 0.000 -17.127 -9.176) 19.431 7.079 ( 0.000 -17.127 9.176) 19.431 9.448 ( 0.000 1.134 -0.078) 1.137 9.448 ( 0.000 1.134 0.078) 1.137 9.558 ( 0.000 0.402 -0.055) 0.405 9.558 ( 0.000 0.402 0.055) 0.405 9.569 ( 0.000 -0.397 -0.026) 0.398 9.569 ( 0.000 -0.397 0.026) 0.398 9.645 ( 0.000 -1.530 -0.604) 1.645 9.645 ( 0.000 -1.530 0.604) 1.645 9.761 ( 0.000 0.807 -0.241) 0.842 9.761 ( 0.000 0.807 0.241) 0.842 9.775 ( 0.000 1.797 -0.140) 1.803 9.775 ( 0.000 1.797 0.140) 1.803 9.915 ( 0.000 -0.427 -0.013) 0.427 9.915 ( 0.000 -0.427 0.013) 0.427 9.929 ( 0.000 -4.139 -3.302) 5.295 9.929 ( 0.000 -4.139 3.302) 5.295 10.280 ( 0.000 0.145 -0.004) 0.145 10.280 ( 0.000 0.145 0.004) 0.145 10.313 ( 0.000 -0.189 -0.018) 0.190 10.313 ( 0.000 -0.189 0.018) 0.190 10.469 ( 0.000 4.002 -3.300) 5.187 10.469 ( 0.000 4.002 3.300) 5.187 10.477 ( 0.000 1.087 -0.129) 1.094 10.477 ( 0.000 1.087 0.129) 1.094 10.925 ( 0.000 0.366 -0.046) 0.369 10.925 ( 0.000 0.366 0.046) 0.369 10.938 ( 0.000 -0.433 -0.226) 0.488 10.938 ( 0.000 -0.433 0.226) 0.488 10.946 ( 0.000 -0.405 -0.091) 0.415 10.946 ( 0.000 -0.405 0.091) 0.415 10.974 ( 0.000 0.971 -1.767) 2.016 10.974 ( 0.000 0.971 1.767) 2.016 11.093 ( 0.000 0.103 -0.140) 0.173 11.093 ( 0.000 0.103 0.140) 0.173 11.125 ( 0.000 0.949 -1.027) 1.399 11.125 ( 0.000 0.949 1.027) 1.399 11.165 ( 0.000 -0.232 -0.427) 0.486 11.165 ( 0.000 -0.232 0.427) 0.486 11.207 ( 0.000 -0.817 -0.375) 0.899 11.207 ( 0.000 -0.817 0.375) 0.899 ======================= Grid point 47 (17/24) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.138 5.674 -6.031) 8.281 0.383 ( 0.138 5.674 6.031) 8.281 0.502 ( 3.751 5.067 -3.512) 7.216 0.502 ( 3.751 5.067 3.512) 7.216 0.530 ( 4.684 7.369 -3.454) 9.391 0.530 ( 4.684 7.369 3.454) 9.391 0.690 ( 3.067 2.271 -2.877) 4.779 0.690 ( 3.067 2.271 2.877) 4.779 0.741 ( -7.095 -1.055 -2.932) 7.749 0.741 ( -7.095 -1.055 2.932) 7.749 0.867 ( 2.203 4.363 -5.080) 7.049 0.867 ( 2.203 4.363 5.080) 7.049 0.908 ( -0.610 4.132 -3.756) 5.617 0.908 ( -0.610 4.132 3.756) 5.617 0.926 ( -1.142 2.983 -1.519) 3.537 0.926 ( -1.142 2.983 1.519) 3.537 1.012 ( -0.281 2.998 -1.426) 3.332 1.012 ( -0.281 2.998 1.426) 3.332 1.051 ( -0.805 1.096 -0.250) 1.383 1.051 ( -0.805 1.096 0.250) 1.383 1.064 ( -2.006 1.927 -0.438) 2.816 1.064 ( -2.006 1.927 0.438) 2.816 1.105 ( 0.401 4.883 -1.571) 5.145 1.105 ( 0.401 4.883 1.571) 5.145 1.204 ( 5.242 4.292 -2.235) 7.134 1.204 ( 5.242 4.292 2.235) 7.134 1.236 ( 3.854 4.595 -0.567) 6.024 1.236 ( 3.854 4.595 0.567) 6.024 1.338 ( -1.765 0.553 -4.023) 4.428 1.338 ( -1.765 0.553 4.023) 4.428 1.428 ( 2.021 -1.703 -0.561) 2.702 1.428 ( 2.021 -1.703 0.561) 2.702 1.482 ( 0.200 0.448 -1.280) 1.371 1.482 ( 0.200 0.448 1.280) 1.371 1.496 ( 0.062 -1.364 -0.664) 1.518 1.496 ( 0.062 -1.364 0.664) 1.518 1.571 ( 2.705 -0.403 -1.038) 2.925 1.571 ( 2.705 -0.403 1.038) 2.925 1.611 ( 2.484 0.015 -0.458) 2.526 1.611 ( 2.484 0.015 0.458) 2.526 1.628 ( -1.760 -1.468 -2.147) 3.140 1.628 ( -1.760 -1.468 2.147) 3.140 1.672 ( 0.377 0.775 -1.489) 1.720 1.672 ( 0.377 0.775 1.489) 1.720 1.688 ( -0.024 -0.249 -1.357) 1.379 1.688 ( -0.024 -0.249 1.357) 1.379 1.720 ( 0.575 0.894 -0.182) 1.078 1.720 ( 0.575 0.894 0.182) 1.078 1.762 ( -0.398 -1.359 -0.380) 1.466 1.762 ( -0.398 -1.359 0.380) 1.466 1.774 ( 0.448 0.472 -0.527) 0.837 1.774 ( 0.448 0.472 0.527) 0.837 2.228 ( -2.623 -2.827 -2.129) 4.404 2.228 ( -2.623 -2.827 2.129) 4.404 2.266 ( -2.618 -3.598 -1.424) 4.672 2.266 ( -2.618 -3.598 1.424) 4.672 2.365 ( -1.666 -0.339 -0.242) 1.717 2.365 ( -1.666 -0.339 0.242) 1.717 2.420 ( 0.263 0.182 -4.089) 4.101 2.420 ( 0.263 0.182 4.089) 4.101 2.662 ( -2.050 0.319 -0.855) 2.244 2.662 ( -2.050 0.319 0.855) 2.244 2.699 ( -0.886 2.753 -2.874) 4.077 2.699 ( -0.886 2.753 2.874) 4.077 2.841 ( 1.514 -1.980 -0.816) 2.623 2.841 ( 1.514 -1.980 0.816) 2.623 2.896 ( -2.558 -0.819 -2.131) 3.429 2.896 ( -2.558 -0.819 2.131) 3.429 3.021 ( 1.512 0.516 -4.599) 4.869 3.021 ( 1.512 0.516 4.599) 4.869 3.149 ( -2.573 -4.889 -2.832) 6.209 3.149 ( -2.573 -4.889 2.832) 6.209 3.188 ( 1.869 -2.743 -0.934) 3.448 3.188 ( 1.869 -2.743 0.934) 3.448 3.252 ( 0.387 -4.585 -1.772) 4.931 3.252 ( 0.387 -4.585 1.772) 4.931 3.385 ( 2.031 -3.192 -3.950) 5.469 3.385 ( 2.031 -3.192 3.950) 5.469 3.446 ( -2.068 -0.816 -3.601) 4.232 3.446 ( -2.068 -0.816 3.601) 4.232 3.514 ( -0.205 -1.503 -4.509) 4.757 3.514 ( -0.205 -1.503 4.509) 4.757 3.563 ( -0.712 -0.896 -1.375) 1.789 3.563 ( -0.712 -0.896 1.375) 1.789 3.607 ( 0.089 -0.179 -2.287) 2.296 3.607 ( 0.089 -0.179 2.287) 2.296 3.683 ( 0.542 0.757 -5.006) 5.092 3.683 ( 0.542 0.757 5.006) 5.092 3.735 ( -0.615 0.479 -2.866) 2.970 3.735 ( -0.615 0.479 2.866) 2.970 3.799 ( -3.902 -1.288 -1.296) 4.309 3.799 ( -3.902 -1.288 1.296) 4.309 3.903 ( 0.489 -2.874 -2.123) 3.606 3.903 ( 0.489 -2.874 2.123) 3.606 3.964 ( 1.426 -0.023 -3.016) 3.336 3.964 ( 1.426 -0.023 3.016) 3.336 4.058 ( 2.188 -1.488 -1.365) 2.978 4.058 ( 2.188 -1.488 1.365) 2.978 4.101 ( -0.207 -0.262 -0.291) 0.443 4.101 ( -0.207 -0.262 0.291) 0.443 4.141 ( -0.126 1.333 -3.518) 3.764 4.141 ( -0.126 1.333 3.518) 3.764 4.247 ( 1.364 2.528 -0.486) 2.913 4.247 ( 1.364 2.528 0.486) 2.913 4.271 ( 3.508 -0.594 -1.696) 3.941 4.271 ( 3.508 -0.594 1.696) 3.941 4.359 ( 0.553 0.625 -2.172) 2.327 4.359 ( 0.553 0.625 2.172) 2.327 4.380 ( 1.398 -1.352 -0.895) 2.141 4.380 ( 1.398 -1.352 0.895) 2.141 4.435 ( 1.348 -0.104 -0.611) 1.484 4.435 ( 1.348 -0.104 0.611) 1.484 4.484 ( 0.698 0.242 -1.973) 2.106 4.484 ( 0.698 0.242 1.973) 2.106 4.545 ( -2.007 0.677 -1.165) 2.417 4.545 ( -2.007 0.677 1.165) 2.417 4.612 ( -2.670 0.790 -2.472) 3.723 4.612 ( -2.670 0.790 2.472) 3.723 4.679 ( -2.669 0.233 -2.177) 3.452 4.679 ( -2.669 0.233 2.177) 3.452 4.698 ( -1.080 0.487 -1.391) 1.827 4.698 ( -1.080 0.487 1.391) 1.827 4.757 ( 3.605 0.514 -0.268) 3.651 4.757 ( 3.605 0.514 0.268) 3.651 4.844 ( -2.700 2.228 -0.698) 3.570 4.844 ( -2.700 2.228 0.698) 3.570 4.903 ( 5.237 2.402 -2.530) 6.293 4.903 ( 5.237 2.402 2.530) 6.293 5.000 ( 0.025 2.645 -3.025) 4.018 5.000 ( 0.025 2.645 3.025) 4.018 5.082 ( 3.939 2.477 -1.299) 4.832 5.082 ( 3.939 2.477 1.299) 4.832 5.130 ( -0.290 0.008 -1.508) 1.536 5.130 ( -0.290 0.008 1.508) 1.536 5.271 ( 1.680 2.441 -3.270) 4.412 5.271 ( 1.680 2.441 3.270) 4.412 5.361 ( -1.365 4.524 -5.119) 6.966 5.361 ( -1.365 4.524 5.119) 6.966 5.392 ( 0.409 3.820 -5.223) 6.484 5.392 ( 0.409 3.820 5.223) 6.484 5.455 ( 3.724 0.913 -2.182) 4.411 5.455 ( 3.724 0.913 2.182) 4.411 5.533 ( -1.040 2.726 -1.486) 3.274 5.533 ( -1.040 2.726 1.486) 3.274 5.610 ( -5.603 -1.030 -0.180) 5.700 5.610 ( -5.603 -1.030 0.180) 5.700 5.708 ( -0.041 -1.969 -0.817) 2.132 5.708 ( -0.041 -1.969 0.817) 2.132 5.828 ( -0.854 -0.030 -1.018) 1.330 5.828 ( -0.854 -0.030 1.018) 1.330 5.889 ( 1.677 -0.280 -1.287) 2.132 5.889 ( 1.677 -0.280 1.287) 2.132 5.993 ( -4.495 0.400 -1.454) 4.742 5.993 ( -4.495 0.400 1.454) 4.742 6.030 ( 1.956 -0.850 -4.382) 4.873 6.030 ( 1.956 -0.850 4.382) 4.873 6.101 ( -0.840 -1.554 -1.180) 2.124 6.101 ( -0.840 -1.554 1.180) 2.124 6.161 ( 1.728 -0.631 -3.523) 3.975 6.161 ( 1.728 -0.631 3.523) 3.975 6.298 ( -0.430 -1.171 -0.135) 1.255 6.298 ( -0.430 -1.171 0.135) 1.255 6.340 ( 1.340 -1.203 -0.626) 1.906 6.340 ( 1.340 -1.203 0.626) 1.906 6.407 ( -0.823 -1.819 -1.014) 2.239 6.407 ( -0.823 -1.819 1.014) 2.239 6.430 ( 0.082 -0.909 -4.382) 4.477 6.430 ( 0.082 -0.909 4.382) 4.477 6.490 ( 0.690 -2.819 -2.023) 3.538 6.490 ( 0.690 -2.819 2.023) 3.538 6.624 ( -3.103 1.526 -3.943) 5.245 6.624 ( -3.103 1.526 3.943) 5.245 6.797 ( -0.407 -1.142 -0.999) 1.571 6.797 ( -0.407 -1.142 0.999) 1.571 6.965 ( -8.195 -8.536 -6.199) 13.358 6.965 ( -8.195 -8.536 6.199) 13.358 9.457 ( 0.977 1.000 -0.056) 1.399 9.457 ( 0.977 1.000 0.056) 1.399 9.559 ( -0.463 0.036 -0.046) 0.467 9.559 ( -0.463 0.036 0.046) 0.467 9.561 ( -0.434 -0.019 -0.071) 0.440 9.561 ( -0.434 -0.019 0.071) 0.440 9.616 ( -2.245 -0.653 -0.627) 2.421 9.616 ( -2.245 -0.653 0.627) 2.421 9.776 ( 0.845 1.333 -0.251) 1.598 9.776 ( 0.845 1.333 0.251) 1.598 9.789 ( 1.901 0.728 -0.265) 2.053 9.789 ( 1.901 0.728 0.265) 2.053 9.890 ( -2.535 -1.409 -1.988) 3.516 9.890 ( -2.535 -1.409 1.988) 3.516 9.907 ( -1.230 -0.699 -0.579) 1.528 9.907 ( -1.230 -0.699 0.579) 1.528 10.291 ( 1.105 0.356 -0.043) 1.161 10.291 ( 1.105 0.356 0.043) 1.161 10.344 ( 1.946 -0.715 -0.106) 2.076 10.344 ( 1.946 -0.715 0.106) 2.076 10.442 ( -1.487 2.575 -1.423) 3.297 10.442 ( -1.487 2.575 1.423) 3.297 10.478 ( -0.453 1.327 -0.388) 1.455 10.478 ( -0.453 1.327 0.388) 1.455 10.926 ( 0.120 0.149 -0.022) 0.193 10.926 ( 0.120 0.149 0.022) 0.193 10.934 ( -0.199 0.521 -0.154) 0.579 10.934 ( -0.199 0.521 0.154) 0.579 10.955 ( 0.722 -0.825 -0.365) 1.155 10.955 ( 0.722 -0.825 0.365) 1.155 10.978 ( 0.205 -0.854 -0.597) 1.062 10.978 ( 0.205 -0.854 0.597) 1.062 11.103 ( 0.642 -0.163 -0.398) 0.773 11.103 ( 0.642 -0.163 0.398) 0.773 11.145 ( 0.741 0.050 -0.647) 0.985 11.145 ( 0.741 0.050 0.647) 0.985 11.163 ( 0.521 -0.154 -0.748) 0.925 11.163 ( 0.521 -0.154 0.748) 0.925 11.207 ( -0.048 -0.703 -0.146) 0.720 11.207 ( -0.048 -0.703 0.146) 0.720 ======================= Grid point 49 (18/24) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 5.528 1.348 -0.075) 5.690 0.446 ( 5.528 1.348 0.075) 5.690 0.550 ( -2.630 1.719 -2.623) 4.093 0.550 ( -2.630 1.719 2.623) 4.093 0.637 ( 4.386 4.617 -3.325) 7.184 0.637 ( 4.386 4.617 3.325) 7.184 0.676 ( 5.952 2.741 -3.961) 7.657 0.676 ( 5.952 2.741 3.961) 7.657 0.758 ( 1.120 3.184 -0.924) 3.499 0.758 ( 1.120 3.184 0.924) 3.499 0.788 ( -4.622 2.571 -1.866) 5.608 0.788 ( -4.622 2.571 1.866) 5.608 0.824 ( -6.026 2.313 -1.774) 6.694 0.824 ( -6.026 2.313 1.774) 6.694 0.869 ( -5.265 3.913 -0.491) 6.578 0.869 ( -5.265 3.913 0.491) 6.578 1.002 ( -1.061 1.499 -1.099) 2.141 1.002 ( -1.061 1.499 1.099) 2.141 1.015 ( -1.901 1.939 -1.713) 3.211 1.015 ( -1.901 1.939 1.713) 3.211 1.145 ( 8.706 2.543 -2.284) 9.353 1.145 ( 8.706 2.543 2.284) 9.353 1.189 ( 6.100 2.045 -3.286) 7.225 1.189 ( 6.100 2.045 3.286) 7.225 1.246 ( -1.781 0.658 -2.455) 3.103 1.246 ( -1.781 0.658 2.455) 3.103 1.322 ( 1.170 2.101 -1.094) 2.642 1.322 ( 1.170 2.101 1.094) 2.642 1.361 ( -1.704 0.393 -1.929) 2.603 1.361 ( -1.704 0.393 1.929) 2.603 1.397 ( 2.915 1.159 -1.821) 3.627 1.397 ( 2.915 1.159 1.821) 3.627 1.460 ( -1.453 1.687 -0.465) 2.274 1.460 ( -1.453 1.687 0.465) 2.274 1.559 ( -5.892 1.522 -2.303) 6.507 1.559 ( -5.892 1.522 2.303) 6.507 1.564 ( 5.495 -4.056 -1.823) 7.069 1.564 ( 5.495 -4.056 1.823) 7.069 1.607 ( 0.279 -1.039 -0.987) 1.460 1.607 ( 0.279 -1.039 0.987) 1.460 1.651 ( 1.784 -0.087 -1.474) 2.316 1.651 ( 1.784 -0.087 1.474) 2.316 1.656 ( 1.278 -0.936 -1.502) 2.183 1.656 ( 1.278 -0.936 1.502) 2.183 1.710 ( -0.708 -0.812 -0.709) 1.290 1.710 ( -0.708 -0.812 0.709) 1.290 1.722 ( -2.924 -1.741 -0.072) 3.403 1.722 ( -2.924 -1.741 0.072) 3.403 1.755 ( 1.411 -0.366 -0.434) 1.521 1.755 ( 1.411 -0.366 0.434) 1.521 1.770 ( -0.414 -1.742 -0.193) 1.800 1.770 ( -0.414 -1.742 0.193) 1.800 2.228 ( 0.183 -0.625 -0.755) 0.997 2.228 ( 0.183 -0.625 0.755) 0.997 2.243 ( 1.550 2.223 -2.013) 3.376 2.243 ( 1.550 2.223 2.013) 3.376 2.313 ( -0.894 0.691 -0.513) 1.240 2.313 ( -0.894 0.691 0.513) 1.240 2.384 ( -4.395 2.723 -0.765) 5.226 2.384 ( -4.395 2.723 0.765) 5.226 2.641 ( 0.839 -1.210 -1.611) 2.183 2.641 ( 0.839 -1.210 1.611) 2.183 2.678 ( -1.997 1.113 -2.067) 3.083 2.678 ( -1.997 1.113 2.067) 3.083 2.849 ( -0.104 -3.022 -1.431) 3.346 2.849 ( -0.104 -3.022 1.431) 3.346 2.860 ( -1.060 -1.037 -1.082) 1.836 2.860 ( -1.060 -1.037 1.082) 1.836 3.042 ( 1.829 -2.693 -3.854) 5.045 3.042 ( 1.829 -2.693 3.854) 5.045 3.093 ( -3.132 -3.676 -3.369) 5.888 3.093 ( -3.132 -3.676 3.369) 5.888 3.246 ( 2.879 -3.805 -2.742) 5.503 3.246 ( 2.879 -3.805 2.742) 5.503 3.271 ( 0.690 -2.417 -1.607) 2.983 3.271 ( 0.690 -2.417 1.607) 2.983 3.380 ( -0.476 -2.538 -4.634) 5.305 3.380 ( -0.476 -2.538 4.634) 5.305 3.411 ( -2.393 -0.171 -1.847) 3.028 3.411 ( -2.393 -0.171 1.847) 3.028 3.531 ( 1.890 -1.452 -1.217) 2.676 3.531 ( 1.890 -1.452 1.217) 2.676 3.566 ( -0.906 -0.985 -0.823) 1.571 3.566 ( -0.906 -0.985 0.823) 1.571 3.622 ( 2.828 -0.046 -3.410) 4.431 3.622 ( 2.828 -0.046 3.410) 4.431 3.669 ( -1.138 -0.464 -2.802) 3.060 3.669 ( -1.138 -0.464 2.802) 3.060 3.726 ( -0.934 -0.755 -5.175) 5.313 3.726 ( -0.934 -0.755 5.175) 5.313 3.750 ( -1.924 1.979 -3.587) 4.526 3.750 ( -1.924 1.979 3.587) 4.526 3.916 ( 2.457 -3.129 -0.055) 3.979 3.916 ( 2.457 -3.129 0.055) 3.979 3.980 ( -1.721 0.713 -1.885) 2.650 3.980 ( -1.721 0.713 1.885) 2.650 4.043 ( 0.168 0.245 -1.395) 1.426 4.043 ( 0.168 0.245 1.395) 1.426 4.080 ( -2.384 0.690 -1.952) 3.158 4.080 ( -2.384 0.690 1.952) 3.158 4.186 ( 4.321 2.056 -3.346) 5.839 4.186 ( 4.321 2.056 3.346) 5.839 4.259 ( -1.657 3.697 -3.207) 5.167 4.259 ( -1.657 3.697 3.207) 5.167 4.330 ( 1.315 1.665 -0.607) 2.207 4.330 ( 1.315 1.665 0.607) 2.207 4.346 ( -0.507 -1.009 -0.890) 1.438 4.346 ( -0.507 -1.009 0.890) 1.438 4.417 ( 1.318 0.600 -2.810) 3.161 4.417 ( 1.318 0.600 2.810) 3.161 4.445 ( -1.049 0.855 -1.415) 1.958 4.445 ( -1.049 0.855 1.415) 1.958 4.508 ( 3.394 -0.705 -0.419) 3.492 4.508 ( 3.394 -0.705 0.419) 3.492 4.553 ( 1.511 0.621 -2.044) 2.616 4.553 ( 1.511 0.621 2.044) 2.616 4.575 ( -0.711 -1.863 -1.501) 2.495 4.575 ( -0.711 -1.863 1.501) 2.495 4.618 ( -3.190 -0.483 -1.684) 3.639 4.618 ( -3.190 -0.483 1.684) 3.639 4.673 ( -0.631 0.141 -0.684) 0.941 4.673 ( -0.631 0.141 0.684) 0.941 4.712 ( -4.740 -0.438 -1.183) 4.905 4.712 ( -4.740 -0.438 1.183) 4.905 4.916 ( 7.487 1.202 -0.615) 7.608 4.916 ( 7.487 1.202 0.615) 7.608 4.998 ( 2.689 1.555 -2.161) 3.784 4.998 ( 2.689 1.555 2.161) 3.784 5.052 ( 1.463 4.451 -1.168) 4.829 5.052 ( 1.463 4.451 1.168) 4.829 5.084 ( -2.489 -2.679 -1.805) 4.078 5.084 ( -2.489 -2.679 1.805) 4.078 5.151 ( 3.714 -1.655 -3.218) 5.186 5.151 ( 3.714 -1.655 3.218) 5.186 5.266 ( -5.814 2.194 -3.057) 6.925 5.266 ( -5.814 2.194 3.057) 6.925 5.339 ( 3.597 4.807 -0.987) 6.085 5.339 ( 3.597 4.807 0.987) 6.085 5.401 ( -0.848 4.223 -3.360) 5.463 5.401 ( -0.848 4.223 3.360) 5.463 5.441 ( -0.174 3.753 -1.000) 3.888 5.441 ( -0.174 3.753 1.000) 3.888 5.508 ( -4.826 0.620 -0.923) 4.953 5.508 ( -4.826 0.620 0.923) 4.953 5.619 ( 5.231 0.675 -0.464) 5.294 5.619 ( 5.231 0.675 0.464) 5.294 5.687 ( -2.277 0.294 -0.564) 2.365 5.687 ( -2.277 0.294 0.564) 2.365 5.832 ( 2.156 -0.800 -4.025) 4.636 5.832 ( 2.156 -0.800 4.025) 4.636 5.885 ( -2.105 -0.230 -2.117) 2.994 5.885 ( -2.105 -0.230 2.117) 2.994 5.952 ( 0.788 -0.185 -1.848) 2.018 5.952 ( 0.788 -0.185 1.848) 2.018 6.009 ( -4.242 -1.789 -2.494) 5.236 6.009 ( -4.242 -1.789 2.494) 5.236 6.118 ( 2.772 -0.656 -2.300) 3.661 6.118 ( 2.772 -0.656 2.300) 3.661 6.163 ( -1.403 -0.022 -2.671) 3.018 6.163 ( -1.403 -0.022 2.671) 3.018 6.301 ( 1.121 -1.206 -2.532) 3.020 6.301 ( 1.121 -1.206 2.532) 3.020 6.335 ( -1.884 -1.549 -3.151) 3.984 6.335 ( -1.884 -1.549 3.151) 3.984 6.415 ( 1.487 -2.338 -1.367) 3.090 6.415 ( 1.487 -2.338 1.367) 3.090 6.436 ( -0.304 -1.924 -2.793) 3.405 6.436 ( -0.304 -1.924 2.793) 3.405 6.514 ( 2.181 -3.241 -3.885) 5.509 6.514 ( 2.181 -3.241 3.885) 5.509 6.565 ( -2.830 -1.194 -5.672) 6.450 6.565 ( -2.830 -1.194 5.672) 6.450 6.796 ( 0.841 0.049 -0.851) 1.198 6.796 ( 0.841 0.049 0.851) 1.198 6.843 ( -4.235 -1.602 -1.212) 4.687 6.843 ( -4.235 -1.602 1.212) 4.687 9.485 ( 1.913 0.596 -0.237) 2.017 9.485 ( 1.913 0.596 0.237) 2.017 9.526 ( -2.226 0.016 -0.377) 2.258 9.526 ( -2.226 0.016 0.377) 2.258 9.566 ( 0.488 0.236 -0.083) 0.549 9.566 ( 0.488 0.236 0.083) 0.549 9.581 ( -1.208 0.062 -0.279) 1.242 9.581 ( -1.208 0.062 0.279) 1.242 9.801 ( 1.728 0.862 -0.218) 1.943 9.801 ( 1.728 0.862 0.218) 1.943 9.829 ( 1.182 0.248 -0.312) 1.247 9.829 ( 1.182 0.248 0.312) 1.247 9.846 ( -1.143 -0.115 -0.708) 1.350 9.846 ( -1.143 -0.115 0.708) 1.350 9.876 ( -1.949 -0.201 -0.102) 1.962 9.876 ( -1.949 -0.201 0.102) 1.962 10.320 ( 1.824 0.871 -0.131) 2.025 10.320 ( 1.824 0.871 0.131) 2.025 10.353 ( -1.150 0.986 -0.171) 1.524 10.353 ( -1.150 0.986 0.171) 1.524 10.437 ( 0.999 0.217 -0.398) 1.097 10.437 ( 0.999 0.217 0.398) 1.097 10.461 ( -1.204 0.456 -0.041) 1.288 10.461 ( -1.204 0.456 0.041) 1.288 10.929 ( 0.142 0.139 -0.035) 0.202 10.929 ( 0.142 0.139 0.035) 0.202 10.931 ( -0.135 0.422 -0.100) 0.454 10.931 ( -0.135 0.422 0.100) 0.454 10.969 ( 0.664 -1.124 -0.511) 1.402 10.969 ( 0.664 -1.124 0.511) 1.402 10.978 ( -0.227 -1.393 -0.294) 1.441 10.978 ( -0.227 -1.393 0.294) 1.441 11.117 ( 0.882 -0.274 -0.462) 1.033 11.117 ( 0.882 -0.274 0.462) 1.033 11.135 ( -0.958 -0.353 -0.394) 1.095 11.135 ( -0.958 -0.353 0.394) 1.095 11.186 ( 1.073 -0.223 -0.853) 1.389 11.186 ( 1.073 -0.223 0.853) 1.389 11.201 ( -0.573 -0.435 -0.559) 0.911 11.201 ( -0.573 -0.435 0.559) 0.911 ======================= Grid point 55 (19/24) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 5.003 -3.595) 6.161 0.529 ( 0.000 5.003 3.595) 6.161 0.557 ( 0.000 3.477 -3.277) 4.777 0.557 ( 0.000 3.477 3.277) 4.777 0.665 ( 0.000 9.330 -3.367) 9.919 0.665 ( 0.000 9.330 3.367) 9.919 0.695 ( 0.000 3.926 -3.280) 5.116 0.695 ( 0.000 3.926 3.280) 5.116 0.791 ( 0.000 -4.339 -1.789) 4.693 0.791 ( 0.000 -4.339 1.789) 4.693 0.874 ( 0.000 -2.500 -2.912) 3.838 0.874 ( 0.000 -2.500 2.912) 3.838 0.982 ( 0.000 1.276 -2.166) 2.514 0.982 ( 0.000 1.276 2.166) 2.514 0.998 ( 0.000 3.759 -0.766) 3.836 0.998 ( 0.000 3.759 0.766) 3.836 1.046 ( 0.000 1.807 -2.881) 3.401 1.046 ( 0.000 1.807 2.881) 3.401 1.096 ( 0.000 2.739 -2.288) 3.568 1.096 ( 0.000 2.739 2.288) 3.568 1.169 ( 0.000 5.771 -4.195) 7.135 1.169 ( 0.000 5.771 4.195) 7.135 1.182 ( 0.000 4.155 -1.782) 4.521 1.182 ( 0.000 4.155 1.782) 4.521 1.246 ( 0.000 3.412 -1.902) 3.906 1.246 ( 0.000 3.412 1.902) 3.906 1.359 ( 0.000 -4.393 -2.158) 4.894 1.359 ( 0.000 -4.393 2.158) 4.894 1.361 ( 0.000 -1.913 -1.583) 2.483 1.361 ( 0.000 -1.913 1.583) 2.483 1.461 ( 0.000 13.123 -1.380) 13.195 1.461 ( 0.000 13.123 1.380) 13.195 1.492 ( 0.000 -0.922 -0.711) 1.164 1.492 ( 0.000 -0.922 0.711) 1.164 1.522 ( 0.000 -1.191 -1.238) 1.718 1.522 ( 0.000 -1.191 1.238) 1.718 1.551 ( 0.000 2.454 -1.797) 3.041 1.551 ( 0.000 2.454 1.797) 3.041 1.599 ( 0.000 5.575 -1.337) 5.733 1.599 ( 0.000 5.575 1.337) 5.733 1.640 ( 0.000 0.234 -1.613) 1.629 1.640 ( 0.000 0.234 1.613) 1.629 1.681 ( 0.000 -1.883 -1.109) 2.186 1.681 ( 0.000 -1.883 1.109) 2.186 1.683 ( 0.000 3.531 -1.776) 3.952 1.683 ( 0.000 3.531 1.776) 3.952 1.721 ( 0.000 -0.915 -0.038) 0.915 1.721 ( 0.000 -0.915 0.038) 0.915 1.750 ( 0.000 1.732 -0.446) 1.789 1.750 ( 0.000 1.732 0.446) 1.789 1.773 ( 0.000 1.646 -1.228) 2.054 1.773 ( 0.000 1.646 1.228) 2.054 2.182 ( 0.000 -5.335 -1.514) 5.546 2.182 ( 0.000 -5.335 1.514) 5.546 2.243 ( 0.000 -2.255 -1.027) 2.478 2.243 ( 0.000 -2.255 1.027) 2.478 2.254 ( 0.000 -4.734 -0.294) 4.743 2.254 ( 0.000 -4.734 0.294) 4.743 2.375 ( 0.000 -3.950 -4.188) 5.757 2.375 ( 0.000 -3.950 4.188) 5.757 2.738 ( 0.000 0.992 -0.318) 1.042 2.738 ( 0.000 0.992 0.318) 1.042 2.751 ( 0.000 -2.682 -1.128) 2.910 2.751 ( 0.000 -2.682 1.128) 2.910 2.793 ( 0.000 3.647 -3.880) 5.325 2.793 ( 0.000 3.647 3.880) 5.325 2.906 ( 0.000 -3.171 -5.884) 6.684 2.906 ( 0.000 -3.171 5.884) 6.684 2.977 ( 0.000 -1.175 -1.541) 1.938 2.977 ( 0.000 -1.175 1.541) 1.938 3.114 ( 0.000 -0.181 -2.633) 2.639 3.114 ( 0.000 -0.181 2.633) 2.639 3.155 ( 0.000 -1.405 -1.836) 2.312 3.155 ( 0.000 -1.405 1.836) 2.312 3.206 ( 0.000 0.539 -2.550) 2.606 3.206 ( 0.000 0.539 2.550) 2.606 3.289 ( 0.000 -3.651 -4.764) 6.002 3.289 ( 0.000 -3.651 4.764) 6.002 3.410 ( 0.000 -4.320 -3.561) 5.599 3.410 ( 0.000 -4.320 3.561) 5.599 3.470 ( 0.000 -1.739 -3.486) 3.896 3.470 ( 0.000 -1.739 3.486) 3.896 3.560 ( 0.000 1.409 -1.455) 2.026 3.560 ( 0.000 1.409 1.455) 2.026 3.610 ( 0.000 -2.980 -1.790) 3.476 3.610 ( 0.000 -2.980 1.790) 3.476 3.622 ( 0.000 0.313 -1.079) 1.123 3.622 ( 0.000 0.313 1.079) 1.123 3.741 ( 0.000 -1.014 -5.515) 5.607 3.741 ( 0.000 -1.014 5.515) 5.607 3.784 ( 0.000 -4.609 -4.123) 6.184 3.784 ( 0.000 -4.609 4.123) 6.184 3.827 ( 0.000 -1.610 -1.571) 2.250 3.827 ( 0.000 -1.610 1.571) 2.250 3.916 ( 0.000 -4.125 -0.118) 4.126 3.916 ( 0.000 -4.125 0.118) 4.126 4.004 ( 0.000 2.831 -7.494) 8.011 4.004 ( 0.000 2.831 7.494) 8.011 4.148 ( 0.000 0.536 -1.488) 1.582 4.148 ( 0.000 0.536 1.488) 1.582 4.155 ( 0.000 2.464 -3.024) 3.901 4.155 ( 0.000 2.464 3.024) 3.901 4.206 ( 0.000 -1.882 -1.385) 2.337 4.206 ( 0.000 -1.882 1.385) 2.337 4.297 ( 0.000 1.423 -1.683) 2.204 4.297 ( 0.000 1.423 1.683) 2.204 4.300 ( 0.000 -3.001 -2.084) 3.653 4.300 ( 0.000 -3.001 2.084) 3.653 4.400 ( 0.000 -1.106 -1.483) 1.850 4.400 ( 0.000 -1.106 1.483) 1.850 4.429 ( 0.000 1.118 -2.569) 2.802 4.429 ( 0.000 1.118 2.569) 2.802 4.449 ( 0.000 2.314 -1.607) 2.817 4.449 ( 0.000 2.314 1.607) 2.817 4.577 ( 0.000 0.670 -2.059) 2.166 4.577 ( 0.000 0.670 2.059) 2.166 4.603 ( 0.000 -3.760 -4.787) 6.087 4.603 ( 0.000 -3.760 4.787) 6.087 4.726 ( 0.000 0.883 -1.856) 2.055 4.726 ( 0.000 0.883 1.856) 2.055 4.739 ( 0.000 2.274 -1.472) 2.709 4.739 ( 0.000 2.274 1.472) 2.709 4.824 ( 0.000 2.725 -3.019) 4.066 4.824 ( 0.000 2.725 3.019) 4.066 4.881 ( 0.000 2.217 -2.882) 3.636 4.881 ( 0.000 2.217 2.882) 3.636 4.935 ( 0.000 3.304 -1.107) 3.485 4.935 ( 0.000 3.304 1.107) 3.485 5.081 ( 0.000 3.276 -4.361) 5.454 5.081 ( 0.000 3.276 4.361) 5.454 5.122 ( 0.000 3.722 -1.498) 4.013 5.122 ( 0.000 3.722 1.498) 4.013 5.226 ( 0.000 6.844 -1.015) 6.919 5.226 ( 0.000 6.844 1.015) 6.919 5.242 ( 0.000 1.122 -2.564) 2.799 5.242 ( 0.000 1.122 2.564) 2.799 5.437 ( 0.000 3.551 -5.303) 6.382 5.437 ( 0.000 3.551 5.303) 6.382 5.489 ( 0.000 3.612 -3.579) 5.085 5.489 ( 0.000 3.612 3.579) 5.085 5.492 ( 0.000 3.491 -4.840) 5.968 5.492 ( 0.000 3.491 4.840) 5.968 5.599 ( 0.000 -1.296 -1.036) 1.659 5.599 ( 0.000 -1.296 1.036) 1.659 5.640 ( 0.000 -1.337 -1.982) 2.390 5.640 ( 0.000 -1.337 1.982) 2.390 5.644 ( 0.000 2.020 -0.710) 2.141 5.644 ( 0.000 2.020 0.710) 2.141 5.854 ( 0.000 -0.579 -0.913) 1.081 5.854 ( 0.000 -0.579 0.913) 1.081 5.857 ( 0.000 0.433 -2.401) 2.440 5.857 ( 0.000 0.433 2.401) 2.440 5.991 ( 0.000 0.056 -6.029) 6.029 5.991 ( 0.000 0.056 6.029) 6.029 6.046 ( 0.000 -2.057 -1.087) 2.326 6.046 ( 0.000 -2.057 1.087) 2.326 6.078 ( 0.000 -1.675 -2.914) 3.361 6.078 ( 0.000 -1.675 2.914) 3.361 6.091 ( 0.000 -1.127 -2.071) 2.358 6.091 ( 0.000 -1.127 2.071) 2.358 6.266 ( 0.000 -3.598 -4.354) 5.648 6.266 ( 0.000 -3.598 4.354) 5.648 6.271 ( 0.000 -2.475 -1.355) 2.821 6.271 ( 0.000 -2.475 1.355) 2.821 6.344 ( 0.000 -4.081 -3.477) 5.362 6.344 ( 0.000 -4.081 3.477) 5.362 6.419 ( 0.000 -0.961 -2.227) 2.426 6.419 ( 0.000 -0.961 2.227) 2.426 6.433 ( 0.000 -3.653 -8.996) 9.709 6.433 ( 0.000 -3.653 8.996) 9.709 6.707 ( 0.000 -7.201 -6.691) 9.829 6.707 ( 0.000 -7.201 6.691) 9.829 6.722 ( 0.000 3.179 -0.632) 3.241 6.722 ( 0.000 3.179 0.632) 3.241 6.870 ( 0.000 -3.821 -1.532) 4.116 6.870 ( 0.000 -3.821 1.532) 4.116 9.477 ( 0.000 1.599 -0.069) 1.600 9.477 ( 0.000 1.599 0.069) 1.600 9.556 ( 0.000 -0.776 -0.091) 0.782 9.556 ( 0.000 -0.776 0.091) 0.782 9.570 ( 0.000 0.587 -0.161) 0.609 9.570 ( 0.000 0.587 0.161) 0.609 9.617 ( 0.000 -1.191 -0.953) 1.526 9.617 ( 0.000 -1.191 0.953) 1.526 9.784 ( 0.000 1.304 -0.393) 1.362 9.784 ( 0.000 1.304 0.393) 1.362 9.809 ( 0.000 1.600 -0.298) 1.628 9.809 ( 0.000 1.600 0.298) 1.628 9.873 ( 0.000 -1.844 -1.755) 2.545 9.873 ( 0.000 -1.844 1.755) 2.545 9.900 ( 0.000 -0.981 -0.083) 0.985 9.900 ( 0.000 -0.981 0.083) 0.985 10.285 ( 0.000 0.315 -0.047) 0.319 10.285 ( 0.000 0.315 0.047) 0.319 10.308 ( 0.000 -0.303 -0.072) 0.311 10.308 ( 0.000 -0.303 0.072) 0.311 10.504 ( 0.000 1.412 -0.264) 1.437 10.504 ( 0.000 1.412 0.264) 1.437 10.521 ( 0.000 1.528 -1.584) 2.201 10.521 ( 0.000 1.528 1.584) 2.201 10.926 ( 0.000 -0.663 -0.199) 0.692 10.926 ( 0.000 -0.663 0.199) 0.692 10.928 ( 0.000 -0.954 -0.218) 0.978 10.928 ( 0.000 -0.954 0.218) 0.978 10.936 ( 0.000 0.655 -0.043) 0.656 10.936 ( 0.000 0.655 0.043) 0.656 10.980 ( 0.000 -0.282 -0.877) 0.921 10.980 ( 0.000 -0.282 0.877) 0.921 11.099 ( 0.000 0.550 -0.053) 0.552 11.099 ( 0.000 0.550 0.053) 0.552 11.137 ( 0.000 0.321 -0.850) 0.908 11.137 ( 0.000 0.321 0.850) 0.908 11.159 ( 0.000 -0.378 -0.236) 0.446 11.159 ( 0.000 -0.378 0.236) 0.446 11.182 ( 0.000 -1.529 -0.514) 1.613 11.182 ( 0.000 -1.529 0.514) 1.613 ======================= Grid point 57 (20/24) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -2.582 3.203 -1.584) 4.409 0.481 ( -2.582 3.203 1.584) 4.409 0.603 ( 2.851 4.193 -5.174) 7.244 0.603 ( 2.851 4.193 5.174) 7.244 0.669 ( 1.018 5.251 -1.017) 5.445 0.669 ( 1.018 5.251 1.017) 5.445 0.686 ( -4.151 -0.960 -1.339) 4.466 0.686 ( -4.151 -0.960 1.339) 4.466 0.780 ( 5.587 5.951 -2.861) 8.650 0.780 ( 5.587 5.951 2.861) 8.650 0.904 ( -2.233 0.327 -2.405) 3.298 0.904 ( -2.233 0.327 2.405) 3.298 0.958 ( -1.914 0.878 -0.728) 2.228 0.958 ( -1.914 0.878 0.728) 2.228 1.022 ( -0.961 0.115 -1.405) 1.706 1.022 ( -0.961 0.115 1.405) 1.706 1.050 ( 2.910 2.312 -1.450) 3.989 1.050 ( 2.910 2.312 1.450) 3.989 1.110 ( 1.737 4.544 -1.114) 4.991 1.110 ( 1.737 4.544 1.114) 4.991 1.136 ( -2.271 5.911 -3.182) 7.087 1.136 ( -2.271 5.911 3.182) 7.087 1.184 ( -0.679 2.227 -2.275) 3.255 1.184 ( -0.679 2.227 2.275) 3.255 1.255 ( 2.620 2.023 -2.599) 4.208 1.255 ( 2.620 2.023 2.599) 4.208 1.336 ( -0.709 -0.645 -0.646) 1.156 1.336 ( -0.709 -0.645 0.646) 1.156 1.383 ( -0.777 0.871 -2.810) 3.042 1.383 ( -0.777 0.871 2.810) 3.042 1.436 ( -2.124 2.243 -2.232) 3.811 1.436 ( -2.124 2.243 2.232) 3.811 1.471 ( -0.973 0.974 -1.108) 1.767 1.471 ( -0.973 0.974 1.108) 1.767 1.511 ( 0.627 2.304 -0.797) 2.518 1.511 ( 0.627 2.304 0.797) 2.518 1.565 ( 0.111 -1.072 -1.203) 1.615 1.565 ( 0.111 -1.072 1.203) 1.615 1.603 ( 0.022 3.141 -0.652) 3.208 1.603 ( 0.022 3.141 0.652) 3.208 1.650 ( 0.741 2.100 -0.968) 2.428 1.650 ( 0.741 2.100 0.968) 2.428 1.674 ( 0.471 -0.416 -1.695) 1.808 1.674 ( 0.471 -0.416 1.695) 1.808 1.691 ( -0.628 -1.665 -0.358) 1.815 1.691 ( -0.628 -1.665 0.358) 1.815 1.709 ( 0.655 2.374 -0.731) 2.569 1.709 ( 0.655 2.374 0.731) 2.569 1.756 ( -1.461 -0.511 -1.214) 1.967 1.756 ( -1.461 -0.511 1.214) 1.967 1.784 ( -0.435 0.841 -0.296) 0.992 1.784 ( -0.435 0.841 0.296) 0.992 2.181 ( 2.610 -1.575 -1.913) 3.599 2.181 ( 2.610 -1.575 1.913) 3.599 2.208 ( -0.153 -1.182 -2.151) 2.459 2.208 ( -0.153 -1.182 2.151) 2.459 2.329 ( 2.496 -3.000 -0.406) 3.923 2.329 ( 2.496 -3.000 0.406) 3.923 2.392 ( 2.010 -2.996 -4.071) 5.439 2.392 ( 2.010 -2.996 4.071) 5.439 2.643 ( -5.684 -1.733 -0.043) 5.942 2.643 ( -5.684 -1.733 0.043) 5.942 2.733 ( -2.118 -1.667 -1.648) 3.159 2.733 ( -2.118 -1.667 1.648) 3.159 2.799 ( -4.065 -1.838 -1.394) 4.674 2.799 ( -4.065 -1.838 1.394) 4.674 2.885 ( 0.350 -0.034 -2.325) 2.352 2.885 ( 0.350 -0.034 2.325) 2.352 2.974 ( -3.392 -4.524 -2.070) 6.021 2.974 ( -3.392 -4.524 2.070) 6.021 3.096 ( -0.616 -0.876 -1.719) 2.025 3.096 ( -0.616 -0.876 1.719) 2.025 3.119 ( 0.139 -1.658 -2.551) 3.046 3.119 ( 0.139 -1.658 2.551) 3.046 3.221 ( 1.539 0.960 -0.543) 1.894 3.221 ( 1.539 0.960 0.543) 1.894 3.318 ( 1.692 -2.094 -5.470) 6.096 3.318 ( 1.692 -2.094 5.470) 6.096 3.431 ( 1.656 -0.893 -3.443) 3.924 3.431 ( 1.656 -0.893 3.443) 3.924 3.481 ( 0.090 -1.275 -1.621) 2.064 3.481 ( 0.090 -1.275 1.621) 2.064 3.545 ( 0.286 -0.504 -1.882) 1.969 3.545 ( 0.286 -0.504 1.882) 1.969 3.595 ( -0.106 -0.175 -1.994) 2.004 3.595 ( -0.106 -0.175 1.994) 2.004 3.678 ( 0.687 -0.887 -3.528) 3.702 3.678 ( 0.687 -0.887 3.528) 3.702 3.732 ( 0.134 -0.981 -3.732) 3.862 3.732 ( 0.134 -0.981 3.732) 3.862 3.774 ( 0.544 -1.341 -1.524) 2.102 3.774 ( 0.544 -1.341 1.524) 2.102 3.833 ( 0.161 -2.126 -1.003) 2.356 3.833 ( 0.161 -2.126 1.003) 2.356 3.970 ( 3.746 -3.227 -1.026) 5.049 3.970 ( 3.746 -3.227 1.026) 5.049 4.046 ( 4.600 2.256 -5.297) 7.369 4.046 ( 4.600 2.256 5.297) 7.369 4.103 ( -3.092 -0.133 -1.253) 3.339 4.103 ( -3.092 -0.133 1.253) 3.339 4.172 ( 0.318 1.511 -3.137) 3.497 4.172 ( 0.318 1.511 3.137) 3.497 4.235 ( 3.012 -0.561 -0.996) 3.222 4.235 ( 3.012 -0.561 0.996) 3.222 4.285 ( 0.163 -1.360 -1.256) 1.858 4.285 ( 0.163 -1.360 1.256) 1.858 4.342 ( 2.196 0.108 -1.379) 2.595 4.342 ( 2.196 0.108 1.379) 2.595 4.412 ( 1.113 1.496 -1.693) 2.519 4.412 ( 1.113 1.496 1.693) 2.519 4.420 ( -0.079 -0.169 -0.743) 0.766 4.420 ( -0.079 -0.169 0.743) 0.766 4.465 ( 1.926 -0.882 -1.251) 2.460 4.465 ( 1.926 -0.882 1.251) 2.460 4.555 ( -1.459 0.681 -2.143) 2.681 4.555 ( -1.459 0.681 2.143) 2.681 4.615 ( -0.662 -2.360 -3.929) 4.630 4.615 ( -0.662 -2.360 3.929) 4.630 4.680 ( -3.607 1.629 -1.038) 4.092 4.680 ( -3.607 1.629 1.038) 4.092 4.703 ( -2.457 1.311 -1.498) 3.162 4.703 ( -2.457 1.311 1.498) 3.162 4.845 ( -2.264 3.307 -1.102) 4.156 4.845 ( -2.264 3.307 1.102) 4.156 4.864 ( -0.555 0.957 -1.579) 1.928 4.864 ( -0.555 0.957 1.579) 1.928 4.936 ( 1.851 1.135 -4.873) 5.335 4.936 ( 1.851 1.135 4.873) 5.335 5.070 ( 1.981 4.503 -2.112) 5.354 5.070 ( 1.981 4.503 2.112) 5.354 5.132 ( -0.067 1.605 -1.735) 2.364 5.132 ( -0.067 1.605 1.735) 2.364 5.193 ( -0.533 5.780 -2.962) 6.516 5.193 ( -0.533 5.780 2.962) 6.516 5.354 ( 5.947 3.561 -0.813) 6.979 5.354 ( 5.947 3.561 0.813) 6.979 5.423 ( -2.096 2.650 -5.192) 6.194 5.423 ( -2.096 2.650 5.192) 6.194 5.469 ( -1.644 2.772 -0.155) 3.226 5.469 ( -1.644 2.772 0.155) 3.226 5.490 ( 0.618 1.801 -2.204) 2.913 5.490 ( 0.618 1.801 2.204) 2.913 5.570 ( -2.491 -1.435 -0.832) 2.993 5.570 ( -2.491 -1.435 0.832) 2.993 5.608 ( -1.048 3.628 -1.997) 4.272 5.608 ( -1.048 3.628 1.997) 4.272 5.682 ( 1.830 -0.323 -1.229) 2.228 5.682 ( 1.830 -0.323 1.229) 2.228 5.838 ( -0.755 1.523 -0.993) 1.969 5.838 ( -0.755 1.523 0.993) 1.969 5.890 ( 2.000 0.038 -1.014) 2.242 5.890 ( 2.000 0.038 1.014) 2.242 5.986 ( -3.430 -1.099 -1.661) 3.967 5.986 ( -3.430 -1.099 1.661) 3.967 6.003 ( 0.327 -1.721 -3.777) 4.163 6.003 ( 0.327 -1.721 3.777) 4.163 6.061 ( -1.061 -1.459 -1.994) 2.689 6.061 ( -1.061 -1.459 1.994) 2.689 6.139 ( 2.286 -1.627 -1.018) 2.984 6.139 ( 2.286 -1.627 1.018) 2.984 6.252 ( -0.240 -2.972 -3.429) 4.544 6.252 ( -0.240 -2.972 3.429) 4.544 6.292 ( 0.606 -3.013 -1.545) 3.440 6.292 ( 0.606 -3.013 1.545) 3.440 6.356 ( 1.109 -4.248 -4.148) 6.040 6.356 ( 1.109 -4.248 4.148) 6.040 6.387 ( -1.806 -2.293 -3.868) 4.845 6.387 ( -1.806 -2.293 3.868) 4.845 6.430 ( -0.604 -2.107 -2.587) 3.391 6.430 ( -0.604 -2.107 2.587) 3.391 6.618 ( -5.527 -3.268 -6.321) 9.010 6.618 ( -5.527 -3.268 6.321) 9.010 6.771 ( 2.001 -0.113 -1.206) 2.339 6.771 ( 2.001 -0.113 1.206) 2.339 6.854 ( -1.415 -2.212 -1.049) 2.827 6.854 ( -1.415 -2.212 1.049) 2.827 9.482 ( 0.597 1.386 -0.064) 1.511 9.482 ( 0.597 1.386 0.064) 1.511 9.549 ( -0.826 -0.698 -0.148) 1.092 9.549 ( -0.826 -0.698 0.148) 1.092 9.569 ( -0.001 0.515 -0.125) 0.530 9.569 ( -0.001 0.515 0.125) 0.530 9.603 ( -1.168 -0.609 -0.832) 1.558 9.603 ( -1.168 -0.609 0.832) 1.558 9.798 ( 1.249 1.018 -0.281) 1.636 9.798 ( 1.249 1.018 0.281) 1.636 9.813 ( 0.614 1.425 -0.206) 1.565 9.813 ( 0.614 1.425 0.206) 1.565 9.863 ( -0.952 -1.151 -1.343) 2.008 9.863 ( -0.952 -1.151 1.343) 2.008 9.893 ( -0.787 -0.842 -0.085) 1.156 9.893 ( -0.787 -0.842 0.085) 1.156 10.300 ( 1.572 0.557 -0.101) 1.671 10.300 ( 1.572 0.557 0.101) 1.671 10.333 ( 2.159 -0.471 -0.084) 2.211 10.333 ( 2.159 -0.471 0.084) 2.211 10.483 ( -1.984 1.591 -0.186) 2.549 10.483 ( -1.984 1.591 0.186) 2.549 10.505 ( -1.471 1.087 -0.769) 1.984 10.505 ( -1.471 1.087 0.769) 1.984 10.923 ( -0.122 -0.587 -0.051) 0.602 10.923 ( -0.122 -0.587 0.051) 0.602 10.932 ( 0.480 -0.759 -0.208) 0.922 10.932 ( 0.480 -0.759 0.208) 0.922 10.944 ( 0.465 0.109 -0.190) 0.514 10.944 ( 0.465 0.109 0.190) 0.514 10.966 ( -1.042 -0.219 -0.507) 1.179 10.966 ( -1.042 -0.219 0.507) 1.179 11.102 ( 0.314 0.145 -0.133) 0.371 11.102 ( 0.314 0.145 0.133) 0.371 11.142 ( -0.505 -0.439 -0.124) 0.681 11.142 ( -0.505 -0.439 0.124) 0.681 11.159 ( 0.899 -0.180 -0.729) 1.171 11.159 ( 0.899 -0.180 0.729) 1.171 11.187 ( 0.326 -1.118 -0.322) 1.208 11.187 ( 0.326 -1.118 0.322) 1.208 ======================= Grid point 59 (21/24) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 1.750 0.599 -2.143) 2.831 0.470 ( 1.750 0.599 2.143) 2.831 0.542 ( -5.317 -2.040 -2.997) 6.435 0.542 ( -5.317 -2.040 2.997) 6.435 0.713 ( 4.984 4.769 -1.342) 7.028 0.713 ( 4.984 4.769 1.342) 7.028 0.758 ( 5.808 4.313 -0.997) 7.303 0.758 ( 5.808 4.313 0.997) 7.303 0.820 ( -4.577 2.769 -1.268) 5.498 0.820 ( -4.577 2.769 1.268) 5.498 0.875 ( -2.843 3.077 -2.193) 4.729 0.875 ( -2.843 3.077 2.193) 4.729 0.909 ( 3.122 6.536 -0.852) 7.293 0.909 ( 3.122 6.536 0.852) 7.293 0.986 ( -2.347 4.632 -1.254) 5.342 0.986 ( -2.347 4.632 1.254) 5.342 1.037 ( -2.307 3.004 -1.466) 4.061 1.037 ( -2.307 3.004 1.466) 4.061 1.061 ( -3.968 3.075 -0.856) 5.092 1.061 ( -3.968 3.075 0.856) 5.092 1.209 ( 4.903 3.285 -0.531) 5.926 1.209 ( 4.903 3.285 0.531) 5.926 1.227 ( 4.217 0.791 -2.874) 5.164 1.227 ( 4.217 0.791 2.874) 5.164 1.268 ( -0.414 1.381 -3.166) 3.479 1.268 ( -0.414 1.381 3.166) 3.479 1.346 ( -3.941 -0.139 -1.127) 4.101 1.346 ( -3.941 -0.139 1.127) 4.101 1.372 ( 2.485 0.580 -0.685) 2.642 1.372 ( 2.485 0.580 0.685) 2.642 1.418 ( 0.014 -0.601 -0.682) 0.909 1.418 ( 0.014 -0.601 0.682) 0.909 1.460 ( 1.793 -1.436 -0.844) 2.448 1.460 ( 1.793 -1.436 0.844) 2.448 1.502 ( -0.336 -1.534 -1.396) 2.102 1.502 ( -0.336 -1.534 1.396) 2.102 1.569 ( -1.598 -1.068 -2.234) 2.947 1.569 ( -1.598 -1.068 2.234) 2.947 1.597 ( -1.904 -1.309 -1.240) 2.622 1.597 ( -1.904 -1.309 1.240) 2.622 1.652 ( -0.533 -0.007 -0.673) 0.859 1.652 ( -0.533 -0.007 0.673) 0.859 1.668 ( -0.080 0.885 -0.825) 1.213 1.668 ( -0.080 0.885 0.825) 1.213 1.688 ( 0.216 1.056 -0.549) 1.210 1.688 ( 0.216 1.056 0.549) 1.210 1.710 ( 0.265 1.300 -0.797) 1.548 1.710 ( 0.265 1.300 0.797) 1.548 1.731 ( 0.335 -0.377 -1.074) 1.186 1.731 ( 0.335 -0.377 1.074) 1.186 1.757 ( -2.126 1.270 -0.257) 2.490 1.757 ( -2.126 1.270 0.257) 2.490 2.233 ( 3.602 1.162 -1.065) 3.932 2.233 ( 3.602 1.162 1.065) 3.932 2.292 ( 2.587 1.855 -1.631) 3.577 2.292 ( 2.587 1.855 1.631) 3.577 2.327 ( 1.655 0.305 -0.867) 1.893 2.327 ( 1.655 0.305 0.867) 1.893 2.421 ( -1.880 0.262 -0.292) 1.921 2.421 ( -1.880 0.262 0.292) 1.921 2.572 ( 0.372 -4.390 -3.039) 5.352 2.572 ( 0.372 -4.390 3.039) 5.352 2.658 ( -6.326 -3.016 -3.766) 7.956 2.658 ( -6.326 -3.016 3.766) 7.956 2.740 ( 0.847 -7.655 -2.288) 8.034 2.740 ( 0.847 -7.655 2.288) 8.034 2.810 ( -5.635 -6.348 -2.598) 8.877 2.810 ( -5.635 -6.348 2.598) 8.877 2.981 ( 2.776 -0.635 -5.264) 5.985 2.981 ( 2.776 -0.635 5.264) 5.985 3.039 ( -3.222 -0.661 -3.812) 5.035 3.039 ( -3.222 -0.661 3.812) 5.035 3.189 ( 3.803 -1.346 -4.895) 6.343 3.189 ( 3.803 -1.346 4.895) 6.343 3.239 ( -0.955 -1.372 -3.366) 3.758 3.239 ( -0.955 -1.372 3.366) 3.758 3.361 ( 3.635 1.362 -2.124) 4.425 3.361 ( 3.635 1.362 2.124) 4.425 3.429 ( -2.360 1.243 -1.335) 2.983 3.429 ( -2.360 1.243 1.335) 2.983 3.494 ( 1.896 -1.453 -1.991) 3.110 3.494 ( 1.896 -1.453 1.991) 3.110 3.545 ( -2.382 -0.560 -3.094) 3.945 3.545 ( -2.382 -0.560 3.094) 3.945 3.609 ( 2.583 -0.868 -5.473) 6.114 3.609 ( 2.583 -0.868 5.473) 6.114 3.654 ( -1.829 -1.173 -3.597) 4.203 3.654 ( -1.829 -1.173 3.597) 4.203 3.728 ( 0.786 1.052 -3.879) 4.095 3.728 ( 0.786 1.052 3.879) 4.095 3.772 ( -2.598 0.999 -1.746) 3.286 3.772 ( -2.598 0.999 1.746) 3.286 3.902 ( 6.966 0.640 -0.912) 7.055 3.902 ( 6.966 0.640 0.912) 7.055 4.019 ( -2.273 1.589 -0.545) 2.826 4.019 ( -2.273 1.589 0.545) 2.826 4.033 ( 0.407 -1.594 -0.724) 1.797 4.033 ( 0.407 -1.594 0.724) 1.797 4.091 ( -2.954 0.116 -1.075) 3.146 4.091 ( -2.954 0.116 1.075) 3.146 4.206 ( 4.234 0.724 -3.336) 5.438 4.206 ( 4.234 0.724 3.336) 5.438 4.268 ( -1.715 0.057 -2.485) 3.020 4.268 ( -1.715 0.057 2.485) 3.020 4.332 ( 5.227 -0.547 -1.322) 5.419 4.332 ( 5.227 -0.547 1.322) 5.419 4.375 ( 1.805 1.216 -2.097) 3.023 4.375 ( 1.805 1.216 2.097) 3.023 4.416 ( -0.406 -1.357 -1.111) 1.800 4.416 ( -0.406 -1.357 1.111) 1.800 4.456 ( -0.118 -0.423 -1.223) 1.299 4.456 ( -0.118 -0.423 1.223) 1.299 4.498 ( 0.837 -0.489 -1.345) 1.658 4.498 ( 0.837 -0.489 1.345) 1.658 4.534 ( -0.545 -0.401 -2.061) 2.169 4.534 ( -0.545 -0.401 2.061) 2.169 4.569 ( 0.550 0.363 -4.034) 4.087 4.569 ( 0.550 0.363 4.034) 4.087 4.638 ( -3.063 1.723 -2.415) 4.264 4.638 ( -3.063 1.723 2.415) 4.264 4.664 ( -0.102 0.721 -1.964) 2.095 4.664 ( -0.102 0.721 1.964) 2.095 4.725 ( -6.096 0.888 -0.606) 6.190 4.725 ( -6.096 0.888 0.606) 6.190 4.920 ( 4.508 -1.164 -0.410) 4.674 4.920 ( 4.508 -1.164 0.410) 4.674 4.988 ( 0.180 -2.285 -2.092) 3.103 4.988 ( 0.180 -2.285 2.092) 3.103 5.084 ( -0.034 2.859 -2.157) 3.581 5.084 ( -0.034 2.859 2.157) 3.581 5.121 ( -1.123 3.322 -2.995) 4.612 5.121 ( -1.123 3.322 2.995) 4.612 5.232 ( 4.621 7.160 -0.651) 8.547 5.232 ( 4.621 7.160 0.651) 8.547 5.342 ( -5.683 4.304 -1.882) 7.373 5.342 ( -5.683 4.304 1.882) 7.373 5.429 ( 2.375 2.976 -1.482) 4.086 5.429 ( 2.375 2.976 1.482) 4.086 5.452 ( 0.511 0.117 -2.572) 2.625 5.452 ( 0.511 0.117 2.572) 2.625 5.496 ( -0.830 1.810 -1.720) 2.631 5.496 ( -0.830 1.810 1.720) 2.631 5.522 ( -2.886 1.231 -0.390) 3.161 5.522 ( -2.886 1.231 0.390) 3.161 5.638 ( 4.471 0.988 -1.281) 4.755 5.638 ( 4.471 0.988 1.281) 4.755 5.701 ( -0.723 0.581 -0.651) 1.134 5.701 ( -0.723 0.581 0.651) 1.134 5.839 ( 1.151 2.029 -2.663) 3.540 5.839 ( 1.151 2.029 2.663) 3.540 5.888 ( -3.172 0.530 -2.846) 4.294 5.888 ( -3.172 0.530 2.846) 4.294 5.938 ( 0.569 -0.948 -1.351) 1.746 5.938 ( 0.569 -0.948 1.351) 1.746 5.977 ( -2.852 -0.580 -1.779) 3.411 5.977 ( -2.852 -0.580 1.779) 3.411 6.093 ( 3.674 -1.683 -2.102) 4.555 6.093 ( 3.674 -1.683 2.102) 4.555 6.149 ( -1.453 -1.471 -1.727) 2.693 6.149 ( -1.453 -1.471 1.727) 2.693 6.258 ( 0.889 -2.802 -2.489) 3.852 6.258 ( 0.889 -2.802 2.489) 3.852 6.283 ( -1.378 -3.110 -1.399) 3.678 6.283 ( -1.378 -3.110 1.399) 3.678 6.363 ( 0.405 -3.340 -1.384) 3.638 6.363 ( 0.405 -3.340 1.384) 3.638 6.378 ( -0.603 -3.409 -0.785) 3.549 6.378 ( -0.603 -3.409 0.785) 3.549 6.443 ( 2.707 -2.702 -2.792) 4.736 6.443 ( 2.707 -2.702 2.792) 4.736 6.517 ( -4.731 -3.319 -5.797) 8.186 6.517 ( -4.731 -3.319 5.797) 8.186 6.801 ( 1.276 0.507 -0.791) 1.584 6.801 ( 1.276 0.507 0.791) 1.584 6.826 ( -1.395 -0.172 -0.818) 1.626 6.826 ( -1.395 -0.172 0.818) 1.626 9.500 ( 1.196 0.766 -0.156) 1.429 9.500 ( 1.196 0.766 0.156) 1.429 9.526 ( -1.428 -0.098 -0.227) 1.449 9.526 ( -1.428 -0.098 0.227) 1.449 9.572 ( 0.297 0.305 -0.123) 0.443 9.572 ( 0.297 0.305 0.123) 0.443 9.582 ( -0.838 0.032 -0.412) 0.934 9.582 ( -0.838 0.032 0.412) 0.934 9.820 ( 1.024 0.885 -0.107) 1.358 9.820 ( 1.024 0.885 0.107) 1.358 9.836 ( 0.830 0.419 -0.175) 0.946 9.836 ( 0.830 0.419 0.175) 0.946 9.844 ( -0.248 -0.052 -0.404) 0.477 9.844 ( -0.248 -0.052 0.404) 0.477 9.871 ( -1.482 -0.363 -0.043) 1.527 9.871 ( -1.482 -0.363 0.043) 1.527 10.341 ( 2.352 1.016 -0.163) 2.568 10.341 ( 2.352 1.016 0.163) 2.568 10.368 ( 0.508 0.363 -0.107) 0.633 10.368 ( 0.508 0.363 0.107) 0.633 10.448 ( -0.685 0.800 -0.151) 1.064 10.448 ( -0.685 0.800 0.151) 1.064 10.470 ( -2.038 0.312 -0.190) 2.070 10.470 ( -2.038 0.312 0.190) 2.070 10.926 ( 0.382 -0.600 -0.021) 0.711 10.926 ( 0.382 -0.600 0.021) 0.711 10.935 ( -0.386 -0.597 -0.104) 0.718 10.935 ( -0.386 -0.597 0.104) 0.718 10.949 ( 0.203 -0.334 -0.033) 0.392 10.949 ( 0.203 -0.334 0.033) 0.392 10.953 ( -0.208 -0.437 -0.032) 0.485 10.953 ( -0.208 -0.437 0.032) 0.485 11.111 ( 0.640 -0.264 -0.252) 0.737 11.111 ( 0.640 -0.264 0.252) 0.737 11.126 ( -0.867 -0.557 -0.307) 1.076 11.126 ( -0.867 -0.557 0.307) 1.076 11.179 ( 0.822 -0.388 -0.588) 1.083 11.179 ( 0.822 -0.388 0.588) 1.083 11.189 ( -0.216 -0.710 -0.309) 0.804 11.189 ( -0.216 -0.710 0.309) 0.804 ======================= Grid point 65 (22/24) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 2.369 -2.330) 3.322 0.608 ( 0.000 2.369 2.330) 3.322 0.630 ( 0.000 3.937 -1.430) 4.188 0.630 ( 0.000 3.937 1.430) 4.188 0.694 ( 0.000 -2.098 -1.713) 2.708 0.694 ( 0.000 -2.098 1.713) 2.708 0.774 ( 0.000 -5.829 -2.188) 6.226 0.774 ( 0.000 -5.829 2.188) 6.226 0.801 ( 0.000 4.925 -6.830) 8.421 0.801 ( 0.000 4.925 6.830) 8.421 0.834 ( 0.000 3.679 -3.240) 4.903 0.834 ( 0.000 3.679 3.240) 4.903 0.996 ( 0.000 0.834 -1.752) 1.941 0.996 ( 0.000 0.834 1.752) 1.941 1.019 ( 0.000 -0.571 -0.863) 1.035 1.019 ( 0.000 -0.571 0.863) 1.035 1.080 ( 0.000 2.500 -2.037) 3.225 1.080 ( 0.000 2.500 2.037) 3.225 1.153 ( 0.000 -0.739 -0.245) 0.779 1.153 ( 0.000 -0.739 0.245) 0.779 1.216 ( 0.000 -0.546 -1.864) 1.942 1.216 ( 0.000 -0.546 1.864) 1.942 1.254 ( 0.000 -0.684 -4.507) 4.559 1.254 ( 0.000 -0.684 4.507) 4.559 1.298 ( 0.000 1.140 -3.136) 3.337 1.298 ( 0.000 1.140 3.136) 3.337 1.301 ( 0.000 1.556 -3.004) 3.383 1.301 ( 0.000 1.556 3.004) 3.383 1.371 ( 0.000 5.397 -0.921) 5.475 1.371 ( 0.000 5.397 0.921) 5.475 1.473 ( 0.000 -0.529 -1.410) 1.506 1.473 ( 0.000 -0.529 1.410) 1.506 1.474 ( 0.000 -2.325 -1.797) 2.938 1.474 ( 0.000 -2.325 1.797) 2.938 1.517 ( 0.000 -5.488 -0.730) 5.536 1.517 ( 0.000 -5.488 0.730) 5.536 1.587 ( 0.000 1.369 -0.786) 1.578 1.587 ( 0.000 1.369 0.786) 1.578 1.607 ( 0.000 -0.406 -1.072) 1.147 1.607 ( 0.000 -0.406 1.072) 1.147 1.704 ( 0.000 3.572 -0.862) 3.675 1.704 ( 0.000 3.572 0.862) 3.675 1.739 ( 0.000 1.849 -0.970) 2.089 1.739 ( 0.000 1.849 0.970) 2.089 1.748 ( 0.000 1.054 -1.484) 1.820 1.748 ( 0.000 1.054 1.484) 1.820 1.756 ( 0.000 -0.728 -0.761) 1.053 1.756 ( 0.000 -0.728 0.761) 1.053 1.794 ( 0.000 5.957 -0.152) 5.959 1.794 ( 0.000 5.957 0.152) 5.959 1.820 ( 0.000 2.137 -0.132) 2.141 1.820 ( 0.000 2.137 0.132) 2.141 2.112 ( 0.000 -0.743 -1.002) 1.248 2.112 ( 0.000 -0.743 1.002) 1.248 2.156 ( 0.000 -4.305 -0.541) 4.339 2.156 ( 0.000 -4.305 0.541) 4.339 2.230 ( 0.000 1.083 -2.148) 2.406 2.230 ( 0.000 1.083 2.148) 2.406 2.285 ( 0.000 -4.100 -3.153) 5.172 2.285 ( 0.000 -4.100 3.153) 5.172 2.708 ( 0.000 -1.378 -1.135) 1.785 2.708 ( 0.000 -1.378 1.135) 1.785 2.712 ( 0.000 -1.883 -0.271) 1.902 2.712 ( 0.000 -1.883 0.271) 1.902 2.831 ( 0.000 0.308 -0.457) 0.551 2.831 ( 0.000 0.308 0.457) 0.551 2.848 ( 0.000 -1.930 -4.190) 4.614 2.848 ( 0.000 -1.930 4.190) 4.614 3.003 ( 0.000 4.173 -1.843) 4.562 3.003 ( 0.000 4.173 1.843) 4.562 3.096 ( 0.000 -4.255 -2.239) 4.808 3.096 ( 0.000 -4.255 2.239) 4.808 3.165 ( 0.000 3.187 -0.300) 3.201 3.165 ( 0.000 3.187 0.300) 3.201 3.222 ( 0.000 -2.698 -1.972) 3.341 3.222 ( 0.000 -2.698 1.972) 3.341 3.247 ( 0.000 3.300 -2.565) 4.180 3.247 ( 0.000 3.300 2.565) 4.180 3.325 ( 0.000 -4.051 -2.436) 4.727 3.325 ( 0.000 -4.051 2.436) 4.727 3.483 ( 0.000 2.850 -3.040) 4.167 3.483 ( 0.000 2.850 3.040) 4.167 3.550 ( 0.000 -3.070 -1.451) 3.396 3.550 ( 0.000 -3.070 1.451) 3.396 3.611 ( 0.000 3.434 -3.280) 4.749 3.611 ( 0.000 3.434 3.280) 4.749 3.647 ( 0.000 2.535 -2.845) 3.810 3.647 ( 0.000 2.535 2.845) 3.810 3.687 ( 0.000 -3.710 -3.428) 5.052 3.687 ( 0.000 -3.710 3.428) 5.052 3.717 ( 0.000 -3.199 -4.202) 5.281 3.717 ( 0.000 -3.199 4.202) 5.281 3.801 ( 0.000 -0.609 -1.440) 1.563 3.801 ( 0.000 -0.609 1.440) 1.563 3.824 ( 0.000 -3.513 -1.097) 3.680 3.824 ( 0.000 -3.513 1.097) 3.680 4.056 ( 0.000 2.768 -4.938) 5.661 4.056 ( 0.000 2.768 4.938) 5.661 4.119 ( 0.000 -2.961 -1.062) 3.145 4.119 ( 0.000 -2.961 1.062) 3.145 4.203 ( 0.000 1.612 -3.053) 3.452 4.203 ( 0.000 1.612 3.053) 3.452 4.207 ( 0.000 1.251 -1.135) 1.689 4.207 ( 0.000 1.251 1.135) 1.689 4.251 ( 0.000 -1.289 -3.054) 3.315 4.251 ( 0.000 -1.289 3.054) 3.315 4.272 ( 0.000 -2.563 -0.642) 2.643 4.272 ( 0.000 -2.563 0.642) 2.643 4.405 ( 0.000 1.720 -4.682) 4.988 4.405 ( 0.000 1.720 4.682) 4.988 4.440 ( 0.000 -0.863 -2.208) 2.370 4.440 ( 0.000 -0.863 2.208) 2.370 4.496 ( 0.000 1.258 -0.253) 1.283 4.496 ( 0.000 1.258 0.253) 1.283 4.524 ( 0.000 -2.501 -3.080) 3.968 4.524 ( 0.000 -2.501 3.080) 3.968 4.637 ( 0.000 4.692 -1.387) 4.892 4.637 ( 0.000 4.692 1.387) 4.892 4.716 ( 0.000 -2.227 -0.438) 2.270 4.716 ( 0.000 -2.227 0.438) 2.270 4.797 ( 0.000 3.005 -0.786) 3.106 4.797 ( 0.000 3.005 0.786) 3.106 4.844 ( 0.000 -0.924 -2.472) 2.639 4.844 ( 0.000 -0.924 2.472) 2.639 4.923 ( 0.000 1.802 -2.071) 2.745 4.923 ( 0.000 1.802 2.071) 2.745 4.951 ( 0.000 -0.859 -4.108) 4.197 4.951 ( 0.000 -0.859 4.108) 4.197 5.153 ( 0.000 2.221 -4.117) 4.678 5.153 ( 0.000 2.221 4.117) 4.678 5.171 ( 0.000 0.695 -1.621) 1.763 5.171 ( 0.000 0.695 1.621) 1.763 5.304 ( 0.000 4.491 -2.459) 5.121 5.304 ( 0.000 4.491 2.459) 5.121 5.339 ( 0.000 2.984 -0.667) 3.057 5.339 ( 0.000 2.984 0.667) 3.057 5.463 ( 0.000 -0.025 -2.240) 2.241 5.463 ( 0.000 -0.025 2.240) 2.241 5.493 ( 0.000 -1.996 -1.473) 2.480 5.493 ( 0.000 -1.996 1.473) 2.480 5.541 ( 0.000 1.365 -1.819) 2.274 5.541 ( 0.000 1.365 1.819) 2.274 5.578 ( 0.000 -1.639 -2.450) 2.948 5.578 ( 0.000 -1.639 2.450) 2.948 5.667 ( 0.000 3.331 -0.859) 3.440 5.667 ( 0.000 3.331 0.859) 3.440 5.693 ( 0.000 1.225 -1.063) 1.622 5.693 ( 0.000 1.225 1.063) 1.622 5.860 ( 0.000 1.286 -1.864) 2.264 5.860 ( 0.000 1.286 1.864) 2.264 5.871 ( 0.000 0.632 -2.442) 2.522 5.871 ( 0.000 0.632 2.442) 2.522 5.994 ( 0.000 -0.159 -5.348) 5.350 5.994 ( 0.000 -0.159 5.348) 5.350 5.999 ( 0.000 -1.573 -3.125) 3.498 5.999 ( 0.000 -1.573 3.125) 3.498 6.058 ( 0.000 -0.490 -4.247) 4.275 6.058 ( 0.000 -0.490 4.247) 4.275 6.063 ( 0.000 -1.242 -2.743) 3.011 6.063 ( 0.000 -1.242 2.743) 3.011 6.203 ( 0.000 -2.067 -6.109) 6.449 6.203 ( 0.000 -2.067 6.109) 6.449 6.211 ( 0.000 -2.824 -3.136) 4.220 6.211 ( 0.000 -2.824 3.136) 4.220 6.284 ( 0.000 0.030 -3.406) 3.406 6.284 ( 0.000 0.030 3.406) 3.406 6.337 ( 0.000 -4.477 -6.138) 7.597 6.337 ( 0.000 -4.477 6.138) 7.597 6.455 ( 0.000 3.842 -4.511) 5.925 6.455 ( 0.000 3.842 4.511) 5.925 6.563 ( 0.000 -6.432 -7.291) 9.723 6.563 ( 0.000 -6.432 7.291) 9.723 6.782 ( 0.000 2.603 -0.321) 2.623 6.782 ( 0.000 2.603 0.321) 2.623 6.826 ( 0.000 -1.776 -0.354) 1.810 6.826 ( 0.000 -1.776 0.354) 1.810 9.509 ( 0.000 1.506 -0.058) 1.508 9.509 ( 0.000 1.506 0.058) 1.508 9.536 ( 0.000 -1.169 -0.103) 1.173 9.536 ( 0.000 -1.169 0.103) 1.173 9.582 ( 0.000 0.635 -0.401) 0.751 9.582 ( 0.000 0.635 0.401) 0.751 9.597 ( 0.000 -0.805 -0.719) 1.079 9.597 ( 0.000 -0.805 0.719) 1.079 9.812 ( 0.000 1.426 -0.577) 1.539 9.812 ( 0.000 1.426 0.577) 1.539 9.839 ( 0.000 -0.209 -0.537) 0.577 9.839 ( 0.000 -0.209 0.537) 0.577 9.844 ( 0.000 0.448 -0.283) 0.530 9.844 ( 0.000 0.448 0.283) 0.530 9.875 ( 0.000 -1.474 -0.189) 1.486 9.875 ( 0.000 -1.474 0.189) 1.486 10.293 ( 0.000 0.413 -0.082) 0.421 10.293 ( 0.000 0.413 0.082) 0.421 10.301 ( 0.000 -0.389 -0.094) 0.400 10.301 ( 0.000 -0.389 0.094) 0.400 10.529 ( 0.000 0.915 -0.448) 1.019 10.529 ( 0.000 0.915 0.448) 1.019 10.537 ( 0.000 0.144 -0.785) 0.798 10.537 ( 0.000 0.144 0.785) 0.798 10.913 ( 0.000 -0.368 -0.038) 0.370 10.913 ( 0.000 -0.368 0.038) 0.370 10.914 ( 0.000 -0.385 -0.121) 0.404 10.914 ( 0.000 -0.385 0.121) 0.404 10.952 ( 0.000 0.826 -0.056) 0.828 10.952 ( 0.000 0.826 0.056) 0.828 10.968 ( 0.000 -0.747 -0.234) 0.783 10.968 ( 0.000 -0.747 0.234) 0.783 11.116 ( 0.000 1.135 -0.167) 1.147 11.116 ( 0.000 1.135 0.167) 1.147 11.139 ( 0.000 -0.444 -0.080) 0.451 11.139 ( 0.000 -0.444 0.080) 0.451 11.151 ( 0.000 -0.321 -0.171) 0.364 11.151 ( 0.000 -0.321 0.171) 0.364 11.152 ( 0.000 -0.942 -0.111) 0.949 11.152 ( 0.000 -0.942 0.111) 0.949 ======================= Grid point 67 (23/24) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -4.080 1.191 -1.468) 4.497 0.521 ( -4.080 1.191 1.468) 4.497 0.597 ( -5.948 -2.365 -1.499) 6.574 0.597 ( -5.948 -2.365 1.499) 6.574 0.723 ( 5.121 5.519 -0.578) 7.551 0.723 ( 5.121 5.519 0.578) 7.551 0.812 ( 1.649 1.989 -2.117) 3.340 0.812 ( 1.649 1.989 2.117) 3.340 0.851 ( 3.313 0.732 -1.593) 3.748 0.851 ( 3.313 0.732 1.593) 3.748 0.907 ( 4.485 0.209 -2.841) 5.314 0.907 ( 4.485 0.209 2.841) 5.314 0.966 ( -0.457 2.456 -0.774) 2.615 0.966 ( -0.457 2.456 0.774) 2.615 1.030 ( -2.664 0.854 -1.708) 3.277 1.030 ( -2.664 0.854 1.708) 3.277 1.061 ( 2.353 -0.485 -1.582) 2.877 1.061 ( 2.353 -0.485 1.582) 2.877 1.129 ( -1.797 -3.488 -1.233) 4.113 1.129 ( -1.797 -3.488 1.233) 4.113 1.211 ( 0.280 2.396 -3.125) 3.948 1.211 ( 0.280 2.396 3.125) 3.948 1.250 ( 0.456 1.005 -2.609) 2.832 1.250 ( 0.456 1.005 2.609) 2.832 1.304 ( -0.349 3.372 -0.669) 3.456 1.304 ( -0.349 3.372 0.669) 3.456 1.324 ( 1.953 1.229 -1.725) 2.881 1.324 ( 1.953 1.229 1.725) 2.881 1.391 ( -1.686 -0.037 -1.058) 1.990 1.391 ( -1.686 -0.037 1.058) 1.990 1.423 ( -1.335 -2.391 -1.397) 3.074 1.423 ( -1.335 -2.391 1.397) 3.074 1.486 ( 0.525 1.054 -1.545) 1.942 1.486 ( 0.525 1.054 1.545) 1.942 1.529 ( -3.318 0.760 -2.687) 4.337 1.529 ( -3.318 0.760 2.687) 4.337 1.565 ( -0.934 0.046 -1.708) 1.948 1.565 ( -0.934 0.046 1.708) 1.948 1.595 ( -0.818 -2.510 -1.675) 3.126 1.595 ( -0.818 -2.510 1.675) 3.126 1.660 ( -1.334 1.030 -0.214) 1.699 1.660 ( -1.334 1.030 0.214) 1.699 1.700 ( -2.286 -0.351 -0.784) 2.442 1.700 ( -2.286 -0.351 0.784) 2.442 1.709 ( -3.354 -0.474 -1.621) 3.755 1.709 ( -3.354 -0.474 1.621) 3.755 1.732 ( -2.138 0.105 -0.693) 2.250 1.732 ( -2.138 0.105 0.693) 2.250 1.804 ( 0.676 4.846 -0.077) 4.894 1.804 ( 0.676 4.846 0.077) 4.894 1.827 ( 0.620 2.517 -0.226) 2.602 1.827 ( 0.620 2.517 0.226) 2.602 2.178 ( 5.777 1.449 -1.612) 6.170 2.178 ( 5.777 1.449 1.612) 6.170 2.212 ( 3.883 0.154 -2.665) 4.712 2.212 ( 3.883 0.154 2.665) 4.712 2.261 ( 3.624 -2.456 -1.067) 4.506 2.261 ( 3.624 -2.456 1.067) 4.506 2.319 ( 3.136 -3.259 -3.401) 5.659 2.319 ( 3.136 -3.259 3.401) 5.659 2.610 ( -6.664 -0.723 -1.136) 6.799 2.610 ( -6.664 -0.723 1.136) 6.799 2.649 ( -5.690 -4.246 -2.270) 7.454 2.649 ( -5.690 -4.246 2.270) 7.454 2.770 ( -6.936 -0.937 -3.973) 8.048 2.770 ( -6.936 -0.937 3.973) 8.048 2.835 ( -5.156 -2.496 -3.817) 6.883 2.835 ( -5.156 -2.496 3.817) 6.883 2.973 ( -1.385 1.873 -4.368) 4.950 2.973 ( -1.385 1.873 4.368) 4.950 3.046 ( -0.359 -1.801 -0.262) 1.855 3.046 ( -0.359 -1.801 0.262) 1.855 3.160 ( 0.344 2.670 -6.485) 7.022 3.160 ( 0.344 2.670 6.485) 7.022 3.209 ( 0.355 -1.982 -5.248) 5.621 3.209 ( 0.355 -1.982 5.248) 5.621 3.336 ( 4.349 2.845 -1.446) 5.394 3.336 ( 4.349 2.845 1.446) 5.394 3.405 ( 4.571 -2.229 -1.830) 5.405 3.405 ( 4.571 -2.229 1.830) 5.405 3.482 ( -0.439 1.226 -2.023) 2.406 3.482 ( -0.439 1.226 2.023) 2.406 3.543 ( 1.467 0.138 -2.468) 2.875 3.543 ( 1.467 0.138 2.468) 2.875 3.609 ( -1.755 1.448 -5.059) 5.547 3.609 ( -1.755 1.448 5.059) 5.547 3.652 ( -0.447 -1.433 -2.576) 2.981 3.652 ( -0.447 -1.433 2.576) 2.981 3.726 ( 3.819 0.356 -3.550) 5.226 3.726 ( 3.819 0.356 3.550) 5.226 3.742 ( 3.703 -1.039 -2.407) 4.537 3.742 ( 3.703 -1.039 2.407) 4.537 3.813 ( 0.822 -0.242 -1.434) 1.670 3.813 ( 0.822 -0.242 1.434) 1.670 3.874 ( 4.726 -4.511 -1.634) 6.734 3.874 ( 4.726 -4.511 1.634) 6.734 4.079 ( 0.471 0.787 -2.293) 2.470 4.079 ( 0.471 0.787 2.293) 2.470 4.108 ( 0.243 -0.058 -1.075) 1.104 4.108 ( 0.243 -0.058 1.075) 1.104 4.192 ( -0.701 1.080 -3.394) 3.630 4.192 ( -0.701 1.080 3.394) 3.630 4.239 ( 2.069 -2.003 -3.868) 4.823 4.239 ( 2.069 -2.003 3.868) 4.823 4.259 ( 2.408 1.772 -0.446) 3.022 4.259 ( 2.408 1.772 0.446) 3.022 4.316 ( 3.843 -1.836 -0.447) 4.282 4.316 ( 3.843 -1.836 0.447) 4.282 4.399 ( -1.044 -0.822 -2.316) 2.670 4.399 ( -1.044 -0.822 2.316) 2.670 4.444 ( 0.591 0.456 -0.823) 1.111 4.444 ( 0.591 0.456 0.823) 1.111 4.486 ( -0.628 1.659 -0.674) 1.898 4.486 ( -0.628 1.659 0.674) 1.898 4.524 ( -0.055 -2.532 -2.840) 3.805 4.524 ( -0.055 -2.532 2.840) 3.805 4.635 ( -0.712 4.212 -0.235) 4.278 4.635 ( -0.712 4.212 0.235) 4.278 4.713 ( -0.972 -0.824 -0.553) 1.389 4.713 ( -0.972 -0.824 0.553) 1.389 4.735 ( -3.335 2.322 -1.286) 4.262 4.735 ( -3.335 2.322 1.286) 4.262 4.803 ( -5.043 -2.794 -1.448) 5.944 4.803 ( -5.043 -2.794 1.448) 5.944 4.943 ( 2.515 1.158 -4.591) 5.362 4.943 ( 2.515 1.158 4.591) 5.362 4.957 ( -1.880 2.071 -1.936) 3.402 4.957 ( -1.880 2.071 1.936) 3.402 5.118 ( -1.225 0.502 -1.155) 1.756 5.118 ( -1.225 0.502 1.155) 1.756 5.182 ( 0.950 2.144 -0.152) 2.350 5.182 ( 0.950 2.144 0.152) 2.350 5.302 ( 0.537 4.358 -2.459) 5.033 5.302 ( 0.537 4.358 2.459) 5.033 5.375 ( 2.153 -1.322 -2.221) 3.364 5.375 ( 2.153 -1.322 2.221) 3.364 5.451 ( -1.601 0.109 -1.389) 2.122 5.451 ( -1.601 0.109 1.389) 2.122 5.482 ( -0.451 -1.620 -0.179) 1.691 5.482 ( -0.451 -1.620 0.179) 1.691 5.534 ( -1.236 3.416 -1.476) 3.921 5.534 ( -1.236 3.416 1.476) 3.921 5.571 ( 0.338 0.435 -1.561) 1.655 5.571 ( 0.338 0.435 1.561) 1.655 5.671 ( -1.316 2.026 -1.517) 2.853 5.671 ( -1.316 2.026 1.517) 2.853 5.692 ( 0.788 0.543 -0.245) 0.988 5.692 ( 0.788 0.543 0.245) 0.988 5.881 ( 1.834 1.582 -1.162) 2.687 5.881 ( 1.834 1.582 1.162) 2.687 5.890 ( 1.313 0.218 -0.393) 1.388 5.890 ( 1.313 0.218 0.393) 1.388 5.954 ( -3.052 -0.903 -2.301) 3.927 5.954 ( -3.052 -0.903 2.301) 3.927 5.975 ( -0.199 -0.732 -1.979) 2.119 5.975 ( -0.199 -0.732 1.979) 2.119 6.059 ( 0.299 0.224 -0.950) 1.021 6.059 ( 0.299 0.224 0.950) 1.021 6.103 ( 1.572 -1.228 -2.520) 3.214 6.103 ( 1.572 -1.228 2.520) 3.214 6.199 ( -0.055 -1.436 -3.324) 3.621 6.199 ( -0.055 -1.436 3.324) 3.621 6.231 ( 1.155 -3.050 -2.784) 4.288 6.231 ( 1.155 -3.050 2.784) 4.288 6.272 ( -0.905 -1.858 -2.353) 3.131 6.272 ( -0.905 -1.858 2.353) 3.131 6.331 ( -0.204 -2.567 -5.118) 5.729 6.331 ( -0.204 -2.567 5.118) 5.729 6.439 ( -1.489 2.638 -2.983) 4.251 6.439 ( -1.489 2.638 2.983) 4.251 6.522 ( -3.643 -4.998 -6.043) 8.647 6.522 ( -3.643 -4.998 6.043) 8.647 6.796 ( 1.120 1.703 -0.227) 2.051 6.796 ( 1.120 1.703 0.227) 2.051 6.826 ( -0.003 -1.210 -0.403) 1.275 6.826 ( -0.003 -1.210 0.403) 1.275 9.510 ( 0.092 1.239 -0.049) 1.243 9.510 ( 0.092 1.239 0.049) 1.243 9.532 ( -0.426 -0.938 -0.108) 1.035 9.532 ( -0.426 -0.938 0.108) 1.035 9.580 ( -0.206 0.499 -0.367) 0.653 9.580 ( -0.206 0.499 0.367) 0.653 9.591 ( -0.487 -0.530 -0.637) 0.961 9.591 ( -0.487 -0.530 0.637) 0.961 9.820 ( 0.725 1.069 -0.469) 1.375 9.820 ( 0.725 1.069 0.469) 1.375 9.840 ( 0.101 -0.394 -0.516) 0.657 9.840 ( 0.101 -0.394 0.516) 0.657 9.844 ( -0.001 0.851 -0.086) 0.855 9.844 ( -0.001 0.851 0.086) 0.855 9.871 ( -0.369 -1.258 -0.148) 1.320 9.871 ( -0.369 -1.258 0.148) 1.320 10.312 ( 1.931 0.567 -0.118) 2.016 10.312 ( 1.931 0.567 0.118) 2.016 10.323 ( 2.101 -0.494 -0.109) 2.161 10.323 ( 2.101 -0.494 0.109) 2.161 10.509 ( -1.994 0.889 -0.262) 2.199 10.509 ( -1.994 0.889 0.262) 2.199 10.517 ( -1.947 0.072 -0.531) 2.019 10.517 ( -1.947 0.072 0.531) 2.019 10.912 ( -0.048 -0.256 -0.005) 0.260 10.912 ( -0.048 -0.256 0.005) 0.260 10.916 ( 0.149 -0.578 -0.118) 0.608 10.916 ( 0.149 -0.578 0.118) 0.608 10.952 ( 0.024 0.517 -0.056) 0.520 10.952 ( 0.024 0.517 0.056) 0.520 10.962 ( -0.558 -0.345 -0.144) 0.672 10.962 ( -0.558 -0.345 0.144) 0.672 11.110 ( -0.318 0.667 -0.097) 0.745 11.110 ( -0.318 0.667 0.097) 0.745 11.127 ( -0.824 -0.888 -0.221) 1.232 11.127 ( -0.824 -0.888 0.221) 1.232 11.159 ( 0.919 0.167 -0.418) 1.023 11.159 ( 0.919 0.167 0.418) 1.023 11.168 ( 0.749 -0.715 -0.250) 1.065 11.168 ( 0.749 -0.715 0.250) 1.065 ======================= Grid point 69 (24/24) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.487 0.153 -2.942) 2.986 0.476 ( -0.487 0.153 2.942) 2.986 0.504 ( -3.373 -1.193 -3.023) 4.684 0.504 ( -3.373 -1.193 3.023) 4.684 0.806 ( 3.084 3.535 -0.159) 4.694 0.806 ( 3.084 3.535 0.159) 4.694 0.848 ( 0.906 2.143 -0.633) 2.411 0.848 ( 0.906 2.143 0.633) 2.411 0.857 ( -0.360 2.018 -0.651) 2.150 0.857 ( -0.360 2.018 0.651) 2.150 0.904 ( -2.682 -0.105 -1.159) 2.923 0.904 ( -2.682 -0.105 1.159) 2.923 1.017 ( 2.942 1.776 -0.450) 3.466 1.017 ( 2.942 1.776 0.450) 3.466 1.047 ( 3.297 3.895 -1.462) 5.309 1.047 ( 3.297 3.895 1.462) 5.309 1.080 ( 0.851 1.650 -0.605) 1.953 1.080 ( 0.851 1.650 0.605) 1.953 1.141 ( -0.121 0.416 -0.303) 0.529 1.141 ( -0.121 0.416 0.303) 0.529 1.218 ( 1.120 0.743 -2.652) 2.973 1.218 ( 1.120 0.743 2.652) 2.973 1.258 ( -0.971 0.345 -3.917) 4.051 1.258 ( -0.971 0.345 3.917) 4.051 1.303 ( 1.126 2.275 -2.993) 3.925 1.303 ( 1.126 2.275 2.993) 3.925 1.330 ( -1.634 -0.257 -3.750) 4.099 1.330 ( -1.634 -0.257 3.750) 4.099 1.362 ( -0.210 -1.056 -3.346) 3.515 1.362 ( -0.210 -1.056 3.346) 3.515 1.387 ( -0.722 -2.309 -0.638) 2.502 1.387 ( -0.722 -2.309 0.638) 2.502 1.447 ( -2.111 -1.264 -1.609) 2.940 1.447 ( -2.111 -1.264 1.609) 2.940 1.470 ( -1.993 -0.213 -0.753) 2.142 1.470 ( -1.993 -0.213 0.753) 2.142 1.544 ( -2.547 -0.536 -2.717) 3.762 1.544 ( -2.547 -0.536 2.717) 3.762 1.553 ( -3.372 -1.747 -1.873) 4.235 1.553 ( -3.372 -1.747 1.873) 4.235 1.646 ( 0.307 0.100 -2.518) 2.538 1.646 ( 0.307 0.100 2.518) 2.538 1.658 ( 0.153 -0.577 -1.924) 2.015 1.658 ( 0.153 -0.577 1.924) 2.015 1.713 ( 0.652 0.385 -1.514) 1.692 1.713 ( 0.652 0.385 1.514) 1.692 1.716 ( 0.639 -0.053 -1.536) 1.665 1.716 ( 0.639 -0.053 1.536) 1.665 1.819 ( 0.879 4.786 -0.229) 4.871 1.819 ( 0.879 4.786 0.229) 4.871 1.832 ( -0.285 3.739 -0.277) 3.760 1.832 ( -0.285 3.739 0.277) 3.760 2.265 ( 3.546 1.698 -0.499) 3.963 2.265 ( 3.546 1.698 0.499) 3.963 2.303 ( 0.431 -0.959 -0.690) 1.257 2.303 ( 0.431 -0.959 0.690) 1.257 2.323 ( 5.953 -0.188 -2.967) 6.654 2.323 ( 5.953 -0.188 2.967) 6.654 2.394 ( 1.950 -1.752 -3.140) 4.090 2.394 ( 1.950 -1.752 3.140) 4.090 2.507 ( -1.592 -1.769 -2.482) 3.439 2.507 ( -1.592 -1.769 2.482) 3.439 2.572 ( -0.454 -5.510 -1.830) 5.824 2.572 ( -0.454 -5.510 1.830) 5.824 2.612 ( -8.190 -1.886 -4.553) 9.558 2.612 ( -8.190 -1.886 4.553) 9.558 2.669 ( -8.684 -4.546 -3.633) 10.454 2.669 ( -8.684 -4.546 3.633) 10.454 3.002 ( 2.504 1.311 -6.100) 6.723 3.002 ( 2.504 1.311 6.100) 6.723 3.041 ( -1.221 -0.154 -3.743) 3.940 3.041 ( -1.221 -0.154 3.743) 3.940 3.179 ( 1.546 0.529 -5.964) 6.184 3.179 ( 1.546 0.529 5.964) 6.184 3.206 ( -0.892 -1.688 -5.724) 6.034 3.206 ( -0.892 -1.688 5.724) 6.034 3.403 ( 2.829 2.056 -0.449) 3.526 3.403 ( 2.829 2.056 0.449) 3.526 3.439 ( -0.549 -1.052 -0.355) 1.238 3.439 ( -0.549 -1.052 0.355) 1.238 3.498 ( 1.989 1.651 -1.683) 3.084 3.498 ( 1.989 1.651 1.683) 3.084 3.545 ( -2.331 0.126 -2.264) 3.252 3.545 ( -2.331 0.126 2.264) 3.252 3.603 ( 1.711 0.506 -5.269) 5.563 3.603 ( 1.711 0.506 5.269) 5.563 3.635 ( -1.296 -0.641 -3.016) 3.344 3.635 ( -1.296 -0.641 3.016) 3.344 3.760 ( 1.386 1.698 -2.442) 3.281 3.760 ( 1.386 1.698 2.442) 3.281 3.784 ( -0.811 -0.267 -1.559) 1.778 3.784 ( -0.811 -0.267 1.559) 1.778 3.919 ( 8.530 1.343 -1.514) 8.767 3.919 ( 8.530 1.343 1.514) 8.767 3.973 ( 5.165 -3.327 -0.081) 6.145 3.973 ( 5.165 -3.327 0.081) 6.145 4.033 ( -3.710 0.058 -1.143) 3.882 4.033 ( -3.710 0.058 1.143) 3.882 4.082 ( -4.962 -1.041 -1.560) 5.304 4.082 ( -4.962 -1.041 1.560) 5.304 4.227 ( 3.626 1.797 -3.063) 5.075 4.227 ( 3.626 1.797 3.063) 5.075 4.267 ( 0.055 -1.080 -0.522) 1.201 4.267 ( 0.055 -1.080 0.522) 1.201 4.346 ( 4.924 0.755 -1.746) 5.279 4.346 ( 4.924 0.755 1.746) 5.279 4.372 ( 0.436 0.657 -0.866) 1.172 4.372 ( 0.436 0.657 0.866) 1.172 4.396 ( 2.345 -0.368 -2.307) 3.310 4.396 ( 2.345 -0.368 2.307) 3.310 4.458 ( 0.253 -1.988 -0.301) 2.026 4.458 ( 0.253 -1.988 0.301) 2.026 4.484 ( 0.619 1.391 -0.808) 1.724 4.484 ( 0.619 1.391 0.808) 1.724 4.523 ( 0.532 -0.855 -1.516) 1.820 4.523 ( 0.532 -0.855 1.516) 1.820 4.579 ( -3.895 1.566 -3.472) 5.448 4.579 ( -3.895 1.566 3.472) 5.448 4.633 ( -6.465 -2.315 -1.095) 6.954 4.633 ( -6.465 -2.315 1.095) 6.954 4.717 ( 0.420 2.444 -1.747) 3.034 4.717 ( 0.420 2.444 1.747) 3.034 4.734 ( -1.471 0.149 -0.473) 1.553 4.734 ( -1.471 0.149 0.473) 1.553 4.923 ( 0.023 1.363 -2.578) 2.916 4.923 ( 0.023 1.363 2.578) 2.916 4.949 ( -1.798 -1.244 -1.968) 2.941 4.949 ( -1.798 -1.244 1.968) 2.941 5.141 ( 2.866 1.968 -3.425) 4.881 5.141 ( 2.866 1.968 3.425) 4.881 5.186 ( -1.170 2.070 -3.982) 4.638 5.186 ( -1.170 2.070 3.982) 4.638 5.330 ( 2.204 1.777 -2.739) 3.939 5.330 ( 2.204 1.777 2.739) 3.939 5.375 ( -2.093 -1.709 -2.073) 3.405 5.375 ( -2.093 -1.709 2.073) 3.405 5.445 ( 1.557 1.655 -2.644) 3.486 5.445 ( 1.557 1.655 2.644) 3.486 5.474 ( -0.828 0.662 -1.030) 1.478 5.474 ( -0.828 0.662 1.030) 1.478 5.521 ( 0.498 1.771 -1.387) 2.304 5.521 ( 0.498 1.771 1.387) 2.304 5.558 ( -2.415 0.573 -1.297) 2.800 5.558 ( -2.415 0.573 1.297) 2.800 5.655 ( 1.295 0.703 -2.873) 3.229 5.655 ( 1.295 0.703 2.873) 3.229 5.694 ( -1.409 -0.887 -1.637) 2.335 5.694 ( -1.409 -0.887 1.637) 2.335 5.886 ( -0.074 1.495 -0.387) 1.546 5.886 ( -0.074 1.495 0.387) 1.546 5.901 ( -1.343 -0.094 -1.622) 2.108 5.901 ( -1.343 -0.094 1.622) 2.108 5.949 ( 2.824 2.690 -0.656) 3.955 5.949 ( 2.824 2.690 0.656) 3.955 5.989 ( -0.358 0.551 -1.479) 1.618 5.989 ( -0.358 0.551 1.479) 1.618 6.069 ( 1.701 0.164 -1.527) 2.291 6.069 ( 1.701 0.164 1.527) 2.291 6.107 ( -1.201 -2.271 -1.970) 3.238 6.107 ( -1.201 -2.271 1.970) 3.238 6.203 ( 0.601 -1.690 -1.311) 2.221 6.203 ( 0.601 -1.690 1.311) 2.221 6.223 ( -1.356 -2.542 -1.264) 3.146 6.223 ( -1.356 -2.542 1.264) 3.146 6.284 ( 1.841 -2.875 -2.628) 4.308 6.284 ( 1.841 -2.875 2.628) 4.308 6.322 ( -1.452 -1.799 -3.236) 3.976 6.322 ( -1.452 -1.799 3.236) 3.976 6.418 ( 0.205 0.087 -1.348) 1.366 6.418 ( 0.205 0.087 1.348) 1.366 6.453 ( -2.981 -2.445 -3.100) 4.947 6.453 ( -2.981 -2.445 3.100) 4.947 6.815 ( 0.763 0.697 -0.403) 1.109 6.815 ( 0.763 0.697 0.403) 1.109 6.824 ( -0.244 -0.184 -0.518) 0.601 6.824 ( -0.244 -0.184 0.518) 0.601 9.513 ( 0.322 0.547 -0.036) 0.636 9.513 ( 0.322 0.547 0.036) 0.636 9.522 ( -0.547 -0.284 -0.082) 0.622 9.522 ( -0.547 -0.284 0.082) 0.622 9.577 ( 0.024 0.237 -0.306) 0.388 9.577 ( 0.024 0.237 0.306) 0.388 9.582 ( -0.409 -0.094 -0.418) 0.592 9.582 ( -0.409 -0.094 0.418) 0.592 9.834 ( 0.555 0.468 -0.169) 0.746 9.834 ( 0.555 0.468 0.169) 0.746 9.840 ( -0.157 -0.133 -0.323) 0.383 9.840 ( -0.157 -0.133 0.323) 0.383 9.848 ( 0.547 0.610 -0.092) 0.825 9.848 ( 0.547 0.610 0.092) 0.825 9.861 ( -0.659 -0.561 -0.029) 0.866 9.861 ( -0.659 -0.561 0.029) 0.866 10.358 ( 2.436 0.691 -0.125) 2.535 10.358 ( 2.436 0.691 0.125) 2.535 10.368 ( 1.901 -0.254 -0.089) 1.920 10.368 ( 1.901 -0.254 0.089) 1.920 10.464 ( -1.960 0.649 -0.060) 2.065 10.464 ( -1.960 0.649 0.060) 2.065 10.472 ( -2.344 -0.123 -0.181) 2.355 10.472 ( -2.344 -0.123 0.181) 2.355 10.913 ( 0.151 -0.338 -0.060) 0.375 10.913 ( 0.151 -0.338 0.060) 0.375 10.917 ( -0.120 -0.678 -0.101) 0.696 10.917 ( -0.120 -0.678 0.101) 0.696 10.952 ( -0.045 0.191 -0.051) 0.202 10.952 ( -0.045 0.191 0.051) 0.202 10.953 ( -0.227 0.073 -0.030) 0.241 10.953 ( -0.227 0.073 0.030) 0.241 11.108 ( 0.128 0.053 -0.088) 0.165 11.108 ( 0.128 0.053 0.088) 0.165 11.114 ( -0.492 -0.498 -0.133) 0.712 11.114 ( -0.492 -0.498 0.133) 0.712 11.173 ( 0.495 -0.086 -0.339) 0.606 11.173 ( 0.495 -0.086 0.339) 0.606 11.177 ( 0.154 -0.411 -0.266) 0.514 11.177 ( 0.154 -0.411 0.266) 0.514 =================== 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 3/15120 10.0 12.676 12.214 11.178 0.000 0.000 0.000 3/15120 20.0 6.246 6.062 4.201 0.000 0.000 0.000 3/15120 30.0 4.148 4.003 2.515 0.000 0.000 0.000 3/15120 40.0 2.957 2.834 1.723 0.000 0.000 0.000 3/15120 50.0 2.233 2.124 1.276 0.000 0.000 0.000 3/15120 60.0 1.771 1.674 1.000 0.000 0.000 0.000 3/15120 70.0 1.460 1.374 0.818 0.000 0.000 0.000 3/15120 80.0 1.239 1.162 0.691 0.000 0.000 0.000 3/15120 90.0 1.077 1.007 0.598 0.000 0.000 0.000 3/15120 100.0 0.952 0.888 0.527 0.000 0.000 0.000 3/15120 110.0 0.854 0.795 0.471 0.000 0.000 0.000 3/15120 120.0 0.774 0.720 0.426 0.000 0.000 0.000 3/15120 130.0 0.708 0.658 0.389 0.000 0.000 0.000 3/15120 140.0 0.653 0.606 0.358 0.000 0.000 0.000 3/15120 150.0 0.606 0.562 0.332 0.000 0.000 0.000 3/15120 160.0 0.565 0.524 0.310 0.000 0.000 0.000 3/15120 170.0 0.530 0.491 0.290 0.000 0.000 0.000 3/15120 180.0 0.499 0.462 0.273 0.000 0.000 0.000 3/15120 190.0 0.471 0.436 0.257 0.000 0.000 0.000 3/15120 200.0 0.446 0.413 0.244 0.000 0.000 0.000 3/15120 210.0 0.424 0.392 0.232 0.000 0.000 0.000 3/15120 220.0 0.404 0.374 0.220 0.000 0.000 0.000 3/15120 230.0 0.386 0.357 0.210 0.000 0.000 0.000 3/15120 240.0 0.369 0.341 0.201 0.000 0.000 0.000 3/15120 250.0 0.354 0.327 0.193 0.000 0.000 0.000 3/15120 260.0 0.340 0.314 0.185 0.000 0.000 0.000 3/15120 270.0 0.327 0.302 0.178 0.000 0.000 0.000 3/15120 280.0 0.315 0.291 0.172 0.000 0.000 0.000 3/15120 290.0 0.304 0.281 0.166 0.000 0.000 0.000 3/15120 300.0 0.294 0.271 0.160 0.000 0.000 0.000 3/15120 310.0 0.284 0.262 0.155 0.000 0.000 0.000 3/15120 320.0 0.275 0.254 0.150 0.000 0.000 0.000 3/15120 330.0 0.266 0.246 0.145 0.000 0.000 0.000 3/15120 340.0 0.259 0.239 0.141 0.000 0.000 0.000 3/15120 350.0 0.251 0.232 0.137 0.000 0.000 0.000 3/15120 360.0 0.244 0.225 0.133 0.000 0.000 0.000 3/15120 370.0 0.237 0.219 0.129 0.000 0.000 0.000 3/15120 380.0 0.231 0.213 0.126 0.000 0.000 0.000 3/15120 390.0 0.225 0.208 0.122 0.000 0.000 0.000 3/15120 400.0 0.219 0.202 0.119 0.000 0.000 0.000 3/15120 410.0 0.214 0.197 0.116 0.000 0.000 0.000 3/15120 420.0 0.209 0.193 0.113 0.000 0.000 0.000 3/15120 430.0 0.204 0.188 0.111 0.000 0.000 0.000 3/15120 440.0 0.199 0.184 0.108 0.000 0.000 0.000 3/15120 450.0 0.195 0.180 0.106 0.000 0.000 0.000 3/15120 460.0 0.190 0.176 0.104 0.000 0.000 0.000 3/15120 470.0 0.186 0.172 0.101 0.000 0.000 0.000 3/15120 480.0 0.182 0.168 0.099 0.000 0.000 0.000 3/15120 490.0 0.179 0.165 0.097 0.000 0.000 0.000 3/15120 500.0 0.175 0.161 0.095 0.000 0.000 0.000 3/15120 510.0 0.172 0.158 0.093 0.000 0.000 0.000 3/15120 520.0 0.168 0.155 0.091 0.000 0.000 0.000 3/15120 530.0 0.165 0.152 0.090 0.000 0.000 0.000 3/15120 540.0 0.162 0.149 0.088 0.000 0.000 0.000 3/15120 550.0 0.159 0.147 0.086 0.000 0.000 0.000 3/15120 560.0 0.156 0.144 0.085 0.000 0.000 0.000 3/15120 570.0 0.153 0.142 0.083 0.000 0.000 0.000 3/15120 580.0 0.151 0.139 0.082 0.000 0.000 0.000 3/15120 590.0 0.148 0.137 0.081 0.000 0.000 0.000 3/15120 600.0 0.146 0.134 0.079 0.000 0.000 0.000 3/15120 610.0 0.143 0.132 0.078 0.000 0.000 0.000 3/15120 620.0 0.141 0.130 0.077 0.000 0.000 0.000 3/15120 630.0 0.139 0.128 0.075 0.000 0.000 0.000 3/15120 640.0 0.137 0.126 0.074 0.000 0.000 0.000 3/15120 650.0 0.135 0.124 0.073 0.000 0.000 0.000 3/15120 660.0 0.132 0.122 0.072 0.000 0.000 0.000 3/15120 670.0 0.130 0.120 0.071 0.000 0.000 0.000 3/15120 680.0 0.129 0.119 0.070 0.000 0.000 0.000 3/15120 690.0 0.127 0.117 0.069 0.000 0.000 0.000 3/15120 700.0 0.125 0.115 0.068 0.000 0.000 0.000 3/15120 710.0 0.123 0.114 0.067 0.000 0.000 0.000 3/15120 720.0 0.121 0.112 0.066 0.000 0.000 0.000 3/15120 730.0 0.120 0.110 0.065 0.000 0.000 0.000 3/15120 740.0 0.118 0.109 0.064 0.000 0.000 0.000 3/15120 750.0 0.117 0.107 0.063 0.000 0.000 0.000 3/15120 760.0 0.115 0.106 0.062 0.000 0.000 0.000 3/15120 770.0 0.113 0.105 0.062 0.000 0.000 0.000 3/15120 780.0 0.112 0.103 0.061 0.000 0.000 0.000 3/15120 790.0 0.111 0.102 0.060 0.000 0.000 0.000 3/15120 800.0 0.109 0.101 0.059 0.000 0.000 0.000 3/15120 810.0 0.108 0.099 0.059 0.000 0.000 0.000 3/15120 820.0 0.107 0.098 0.058 0.000 0.000 0.000 3/15120 830.0 0.105 0.097 0.057 0.000 0.000 0.000 3/15120 840.0 0.104 0.096 0.056 0.000 0.000 0.000 3/15120 850.0 0.103 0.095 0.056 0.000 0.000 0.000 3/15120 860.0 0.102 0.094 0.055 0.000 0.000 0.000 3/15120 870.0 0.100 0.093 0.055 0.000 0.000 0.000 3/15120 880.0 0.099 0.092 0.054 0.000 0.000 0.000 3/15120 890.0 0.098 0.090 0.053 0.000 0.000 0.000 3/15120 900.0 0.097 0.089 0.053 0.000 0.000 0.000 3/15120 910.0 0.096 0.088 0.052 0.000 0.000 0.000 3/15120 920.0 0.095 0.088 0.052 0.000 0.000 0.000 3/15120 930.0 0.094 0.087 0.051 0.000 0.000 0.000 3/15120 940.0 0.093 0.086 0.050 0.000 0.000 0.000 3/15120 950.0 0.092 0.085 0.050 0.000 0.000 0.000 3/15120 960.0 0.091 0.084 0.049 0.000 0.000 0.000 3/15120 970.0 0.090 0.083 0.049 0.000 0.000 0.000 3/15120 980.0 0.089 0.082 0.048 0.000 0.000 0.000 3/15120 990.0 0.088 0.081 0.048 0.000 0.000 0.000 3/15120 1000.0 0.087 0.081 0.047 0.000 0.000 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m572.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:53:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|