----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:03:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506147380410376 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): *1 Nb 0.59250640804634 0.77818441494928 0.91359192613040 92.906 2 Nb 0.40749359195366 0.27818441494928 0.58640807386960 92.906 3 Nb 0.40749359195366 0.22181558505072 0.08640807386959 92.906 4 Nb 0.59250640804634 0.72181558505072 0.41359192613041 92.906 *5 Nb 0.78424573336603 0.27422751149857 0.28116861710660 92.906 6 Nb 0.21575426663397 0.77422751149857 0.21883138289340 92.906 7 Nb 0.21575426663397 0.72577248850143 0.71883138289340 92.906 8 Nb 0.78424573336603 0.22577248850143 0.78116861710660 92.906 *9 Tl 0.10340546642940 0.40858875928404 0.23569131022485 204.383 *10 Tl 0.75912601188654 0.42488280948631 0.50003210062909 204.383 *11 Tl 0.33307930436162 0.37883392582472 0.85957959101116 204.383 12 Tl 0.24087398811346 0.92488280948631 0.99996789937091 204.383 13 Tl 0.10340546642940 0.09141124071596 0.73569131022485 204.383 14 Tl 0.24087398811346 0.57511719051369 0.49996789937091 204.383 15 Tl 0.66692069563838 0.87883392582472 0.64042040898884 204.383 16 Tl 0.89659453357060 0.90858875928404 0.26430868977515 204.383 17 Tl 0.89659453357060 0.59141124071596 0.76430868977515 204.383 18 Tl 0.33307930436162 0.12116607417528 0.35957959101116 204.383 19 Tl 0.75912601188654 0.07511719051369 0.00003210062909 204.383 20 Tl 0.66692069563838 0.62116607417528 0.14042040898884 204.383 *21 Cu 0.89360742828489 0.81099249199697 0.07118217981080 63.546 22 Cu 0.89360742828489 0.68900750800303 0.57118217981080 63.546 23 Cu 0.10639257171511 0.31099249199697 0.42881782018920 63.546 24 Cu 0.10639257171511 0.18900750800303 0.92881782018920 63.546 *25 Se 0.64098293919647 0.39881919317823 0.67983583025652 78.960 26 Se 0.35901706080353 0.60118080682177 0.32016416974348 78.960 *27 Se 0.61069669884806 0.56568108031824 0.32487394471753 78.960 *28 Se 0.32875699610484 0.78017276146312 0.61431947209123 78.960 29 Se 0.38930330115194 0.06568108031824 0.17512605528247 78.960 *30 Se 0.06455927762873 0.70368828444046 0.30065272183572 78.960 *31 Se 0.91684542561475 0.06201331027946 0.84423816948094 78.960 *32 Se 0.99915037775119 0.89242315700647 0.48152467222177 78.960 *33 Se 0.49793528697416 0.67791658866850 0.74508260875231 78.960 *34 Se 0.99912470382839 0.36046179757842 0.87011370290293 78.960 *35 Se 0.39175100190053 0.08468200390660 0.56569936601438 78.960 36 Se 0.00084962224881 0.10757684299353 0.51847532777823 78.960 37 Se 0.08315457438525 0.56201331027946 0.65576183051906 78.960 38 Se 0.39175100190053 0.41531799609340 0.06569936601438 78.960 39 Se 0.91684542561475 0.43798668972054 0.34423816948094 78.960 *40 Se 0.87345955043861 0.77140052252783 0.92453269181477 78.960 41 Se 0.99915037775119 0.60757684299353 0.98152467222177 78.960 42 Se 0.38930330115194 0.43431891968176 0.67512605528247 78.960 *43 Se 0.65079285498881 0.16210920677598 0.60727986290260 78.960 44 Se 0.67124300389516 0.28017276146312 0.88568052790877 78.960 45 Se 0.99912470382839 0.13953820242158 0.37011370290293 78.960 *46 Se 0.35977521820115 0.15508635669052 0.93793885098807 78.960 47 Se 0.35977521820115 0.34491364330948 0.43793885098807 78.960 48 Se 0.64022478179885 0.65508635669052 0.56206114901193 78.960 49 Se 0.60824899809947 0.91531799609340 0.43430063398562 78.960 50 Se 0.49793528697416 0.82208341133150 0.24508260875231 78.960 51 Se 0.08315457438525 0.93798668972054 0.15576183051906 78.960 52 Se 0.35901706080353 0.89881919317823 0.82016416974348 78.960 53 Se 0.00087529617161 0.86046179757842 0.62988629709707 78.960 54 Se 0.65079285498881 0.33789079322402 0.10727986290260 78.960 55 Se 0.50206471302584 0.32208341133150 0.25491739124769 78.960 56 Se 0.87345955043861 0.72859947747217 0.42453269181477 78.960 57 Se 0.67124300389516 0.21982723853688 0.38568052790877 78.960 58 Se 0.12654044956139 0.22859947747217 0.07546730818523 78.960 59 Se 0.00084962224881 0.39242315700647 0.01847532777823 78.960 60 Se 0.50206471302584 0.17791658866850 0.75491739124769 78.960 61 Se 0.32875699610484 0.71982723853688 0.11431947209123 78.960 62 Se 0.06455927762873 0.79631171555954 0.80065272183572 78.960 63 Se 0.64098293919647 0.10118080682177 0.17983583025652 78.960 64 Se 0.00087529617161 0.63953820242158 0.12988629709707 78.960 65 Se 0.61069669884806 0.93431891968176 0.82487394471753 78.960 66 Se 0.12654044956139 0.27140052252783 0.57546730818523 78.960 67 Se 0.34920714501119 0.83789079322402 0.39272013709740 78.960 68 Se 0.93544072237127 0.29631171555954 0.69934727816428 78.960 69 Se 0.64022478179885 0.84491364330948 0.06206114901193 78.960 70 Se 0.34920714501119 0.66210920677598 0.89272013709740 78.960 71 Se 0.60824899809947 0.58468200390660 0.93430063398562 78.960 72 Se 0.93544072237127 0.20368828444046 0.19934727816428 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.506147380410376 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): *1 Nb 0.59250640804634 0.77818441494928 0.91359192613040 92.906 > 1 2 Nb 0.40749359195366 0.27818441494928 0.58640807386960 92.906 > 2 3 Nb 0.40749359195366 0.22181558505072 0.08640807386959 92.906 > 3 4 Nb 0.59250640804634 0.72181558505072 0.41359192613041 92.906 > 4 *5 Nb 0.78424573336603 0.27422751149857 0.28116861710660 92.906 > 5 6 Nb 0.21575426663397 0.77422751149857 0.21883138289340 92.906 > 6 7 Nb 0.21575426663397 0.72577248850143 0.71883138289340 92.906 > 7 8 Nb 0.78424573336603 0.22577248850143 0.78116861710660 92.906 > 8 *9 Tl 0.10340546642940 0.40858875928404 0.23569131022485 204.383 > 9 *10 Tl 0.75912601188654 0.42488280948631 0.50003210062909 204.383 > 10 *11 Tl 0.33307930436162 0.37883392582472 0.85957959101116 204.383 > 11 12 Tl 0.24087398811346 0.92488280948631 0.99996789937091 204.383 > 12 13 Tl 0.10340546642940 0.09141124071596 0.73569131022485 204.383 > 13 14 Tl 0.24087398811346 0.57511719051369 0.49996789937091 204.383 > 14 15 Tl 0.66692069563838 0.87883392582472 0.64042040898884 204.383 > 15 16 Tl 0.89659453357060 0.90858875928404 0.26430868977515 204.383 > 16 17 Tl 0.89659453357060 0.59141124071596 0.76430868977515 204.383 > 17 18 Tl 0.33307930436162 0.12116607417528 0.35957959101116 204.383 > 18 19 Tl 0.75912601188654 0.07511719051369 0.00003210062909 204.383 > 19 20 Tl 0.66692069563838 0.62116607417528 0.14042040898884 204.383 > 20 *21 Cu 0.89360742828489 0.81099249199697 0.07118217981080 63.546 > 21 22 Cu 0.89360742828489 0.68900750800303 0.57118217981080 63.546 > 22 23 Cu 0.10639257171511 0.31099249199697 0.42881782018920 63.546 > 23 24 Cu 0.10639257171511 0.18900750800303 0.92881782018920 63.546 > 24 *25 Se 0.64098293919647 0.39881919317823 0.67983583025652 78.960 > 25 26 Se 0.35901706080353 0.60118080682177 0.32016416974348 78.960 > 26 *27 Se 0.61069669884806 0.56568108031824 0.32487394471753 78.960 > 27 *28 Se 0.32875699610484 0.78017276146312 0.61431947209123 78.960 > 28 29 Se 0.38930330115194 0.06568108031824 0.17512605528247 78.960 > 29 *30 Se 0.06455927762873 0.70368828444046 0.30065272183572 78.960 > 30 *31 Se 0.91684542561475 0.06201331027946 0.84423816948094 78.960 > 31 *32 Se 0.99915037775119 0.89242315700647 0.48152467222177 78.960 > 32 *33 Se 0.49793528697416 0.67791658866850 0.74508260875231 78.960 > 33 *34 Se 0.99912470382839 0.36046179757842 0.87011370290293 78.960 > 34 *35 Se 0.39175100190053 0.08468200390660 0.56569936601438 78.960 > 35 36 Se 0.00084962224881 0.10757684299353 0.51847532777823 78.960 > 36 37 Se 0.08315457438525 0.56201331027946 0.65576183051906 78.960 > 37 38 Se 0.39175100190053 0.41531799609340 0.06569936601438 78.960 > 38 39 Se 0.91684542561475 0.43798668972054 0.34423816948094 78.960 > 39 *40 Se 0.87345955043861 0.77140052252783 0.92453269181477 78.960 > 40 41 Se 0.99915037775119 0.60757684299353 0.98152467222177 78.960 > 41 42 Se 0.38930330115194 0.43431891968176 0.67512605528247 78.960 > 42 *43 Se 0.65079285498881 0.16210920677598 0.60727986290260 78.960 > 43 44 Se 0.67124300389516 0.28017276146312 0.88568052790877 78.960 > 44 45 Se 0.99912470382839 0.13953820242158 0.37011370290293 78.960 > 45 *46 Se 0.35977521820115 0.15508635669052 0.93793885098807 78.960 > 46 47 Se 0.35977521820115 0.34491364330948 0.43793885098807 78.960 > 47 48 Se 0.64022478179885 0.65508635669052 0.56206114901193 78.960 > 48 49 Se 0.60824899809947 0.91531799609340 0.43430063398562 78.960 > 49 50 Se 0.49793528697416 0.82208341133150 0.24508260875231 78.960 > 50 51 Se 0.08315457438525 0.93798668972054 0.15576183051906 78.960 > 51 52 Se 0.35901706080353 0.89881919317823 0.82016416974348 78.960 > 52 53 Se 0.00087529617161 0.86046179757842 0.62988629709707 78.960 > 53 54 Se 0.65079285498881 0.33789079322402 0.10727986290260 78.960 > 54 55 Se 0.50206471302584 0.32208341133150 0.25491739124769 78.960 > 55 56 Se 0.87345955043861 0.72859947747217 0.42453269181477 78.960 > 56 57 Se 0.67124300389516 0.21982723853688 0.38568052790877 78.960 > 57 58 Se 0.12654044956139 0.22859947747217 0.07546730818523 78.960 > 58 59 Se 0.00084962224881 0.39242315700647 0.01847532777823 78.960 > 59 60 Se 0.50206471302584 0.17791658866850 0.75491739124769 78.960 > 60 61 Se 0.32875699610484 0.71982723853688 0.11431947209123 78.960 > 61 62 Se 0.06455927762873 0.79631171555954 0.80065272183572 78.960 > 62 63 Se 0.64098293919647 0.10118080682177 0.17983583025652 78.960 > 63 64 Se 0.00087529617161 0.63953820242158 0.12988629709707 78.960 > 64 65 Se 0.61069669884806 0.93431891968176 0.82487394471753 78.960 > 65 66 Se 0.12654044956139 0.27140052252783 0.57546730818523 78.960 > 66 67 Se 0.34920714501119 0.83789079322402 0.39272013709740 78.960 > 67 68 Se 0.93544072237127 0.29631171555954 0.69934727816428 78.960 > 68 69 Se 0.64022478179885 0.84491364330948 0.06206114901193 78.960 > 69 70 Se 0.34920714501119 0.66210920677598 0.89272013709740 78.960 > 70 71 Se 0.60824899809947 0.58468200390660 0.93430063398562 78.960 > 71 72 Se 0.93544072237127 0.20368828444046 0.19934727816428 78.960 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.012294760820751 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): *1 Nb 0.29625320402317 0.77818441494928 0.91359192613040 92.906 > 1 2 Nb 0.79625320402317 0.77818441494928 0.91359192613040 92.906 > 1 3 Nb 0.20374679597683 0.27818441494928 0.58640807386960 92.906 > 2 4 Nb 0.70374679597683 0.27818441494928 0.58640807386960 92.906 > 2 5 Nb 0.20374679597683 0.22181558505072 0.08640807386959 92.906 > 3 6 Nb 0.70374679597683 0.22181558505072 0.08640807386959 92.906 > 3 7 Nb 0.29625320402317 0.72181558505072 0.41359192613041 92.906 > 4 8 Nb 0.79625320402317 0.72181558505072 0.41359192613041 92.906 > 4 *9 Nb 0.39212286668302 0.27422751149857 0.28116861710660 92.906 > 5 10 Nb 0.89212286668302 0.27422751149857 0.28116861710660 92.906 > 5 11 Nb 0.10787713331698 0.77422751149857 0.21883138289340 92.906 > 6 12 Nb 0.60787713331698 0.77422751149857 0.21883138289340 92.906 > 6 13 Nb 0.10787713331698 0.72577248850143 0.71883138289340 92.906 > 7 14 Nb 0.60787713331698 0.72577248850143 0.71883138289340 92.906 > 7 15 Nb 0.39212286668302 0.22577248850143 0.78116861710660 92.906 > 8 16 Nb 0.89212286668302 0.22577248850143 0.78116861710660 92.906 > 8 *17 Tl 0.05170273321470 0.40858875928404 0.23569131022485 204.383 > 9 18 Tl 0.55170273321470 0.40858875928404 0.23569131022485 204.383 > 9 *19 Tl 0.37956300594327 0.42488280948631 0.50003210062909 204.383 > 10 20 Tl 0.87956300594327 0.42488280948631 0.50003210062909 204.383 > 10 *21 Tl 0.16653965218081 0.37883392582472 0.85957959101116 204.383 > 11 22 Tl 0.66653965218081 0.37883392582472 0.85957959101116 204.383 > 11 23 Tl 0.12043699405673 0.92488280948631 0.99996789937091 204.383 > 12 24 Tl 0.62043699405673 0.92488280948631 0.99996789937091 204.383 > 12 25 Tl 0.05170273321470 0.09141124071596 0.73569131022485 204.383 > 13 26 Tl 0.55170273321470 0.09141124071596 0.73569131022485 204.383 > 13 27 Tl 0.12043699405673 0.57511719051369 0.49996789937091 204.383 > 14 28 Tl 0.62043699405673 0.57511719051369 0.49996789937091 204.383 > 14 29 Tl 0.33346034781919 0.87883392582472 0.64042040898884 204.383 > 15 30 Tl 0.83346034781919 0.87883392582472 0.64042040898884 204.383 > 15 31 Tl 0.44829726678530 0.90858875928404 0.26430868977515 204.383 > 16 32 Tl 0.94829726678530 0.90858875928404 0.26430868977515 204.383 > 16 33 Tl 0.44829726678530 0.59141124071596 0.76430868977515 204.383 > 17 34 Tl 0.94829726678530 0.59141124071596 0.76430868977515 204.383 > 17 35 Tl 0.16653965218081 0.12116607417528 0.35957959101116 204.383 > 18 36 Tl 0.66653965218081 0.12116607417528 0.35957959101116 204.383 > 18 37 Tl 0.37956300594327 0.07511719051369 0.00003210062909 204.383 > 19 38 Tl 0.87956300594327 0.07511719051369 0.00003210062909 204.383 > 19 39 Tl 0.33346034781919 0.62116607417528 0.14042040898884 204.383 > 20 40 Tl 0.83346034781919 0.62116607417528 0.14042040898884 204.383 > 20 *41 Cu 0.44680371414245 0.81099249199697 0.07118217981080 63.546 > 21 42 Cu 0.94680371414245 0.81099249199697 0.07118217981080 63.546 > 21 43 Cu 0.44680371414245 0.68900750800303 0.57118217981080 63.546 > 22 44 Cu 0.94680371414245 0.68900750800303 0.57118217981080 63.546 > 22 45 Cu 0.05319628585755 0.31099249199697 0.42881782018920 63.546 > 23 46 Cu 0.55319628585755 0.31099249199697 0.42881782018920 63.546 > 23 47 Cu 0.05319628585755 0.18900750800303 0.92881782018920 63.546 > 24 48 Cu 0.55319628585755 0.18900750800303 0.92881782018920 63.546 > 24 *49 Se 0.32049146959823 0.39881919317823 0.67983583025652 78.960 > 25 50 Se 0.82049146959823 0.39881919317823 0.67983583025652 78.960 > 25 51 Se 0.17950853040177 0.60118080682177 0.32016416974348 78.960 > 26 52 Se 0.67950853040177 0.60118080682177 0.32016416974348 78.960 > 26 *53 Se 0.30534834942403 0.56568108031824 0.32487394471753 78.960 > 27 54 Se 0.80534834942403 0.56568108031824 0.32487394471753 78.960 > 27 *55 Se 0.16437849805242 0.78017276146312 0.61431947209123 78.960 > 28 56 Se 0.66437849805242 0.78017276146312 0.61431947209123 78.960 > 28 57 Se 0.19465165057597 0.06568108031824 0.17512605528247 78.960 > 29 58 Se 0.69465165057597 0.06568108031824 0.17512605528247 78.960 > 29 *59 Se 0.03227963881436 0.70368828444046 0.30065272183572 78.960 > 30 60 Se 0.53227963881436 0.70368828444046 0.30065272183572 78.960 > 30 *61 Se 0.45842271280737 0.06201331027946 0.84423816948094 78.960 > 31 62 Se 0.95842271280737 0.06201331027946 0.84423816948094 78.960 > 31 *63 Se 0.49957518887559 0.89242315700647 0.48152467222177 78.960 > 32 64 Se 0.99957518887559 0.89242315700647 0.48152467222177 78.960 > 32 *65 Se 0.24896764348708 0.67791658866850 0.74508260875231 78.960 > 33 66 Se 0.74896764348708 0.67791658866850 0.74508260875231 78.960 > 33 *67 Se 0.49956235191419 0.36046179757842 0.87011370290293 78.960 > 34 68 Se 0.99956235191419 0.36046179757842 0.87011370290293 78.960 > 34 *69 Se 0.19587550095026 0.08468200390660 0.56569936601438 78.960 > 35 70 Se 0.69587550095026 0.08468200390660 0.56569936601438 78.960 > 35 71 Se 0.00042481112441 0.10757684299353 0.51847532777823 78.960 > 36 72 Se 0.50042481112441 0.10757684299353 0.51847532777823 78.960 > 36 73 Se 0.04157728719262 0.56201331027946 0.65576183051906 78.960 > 37 74 Se 0.54157728719262 0.56201331027946 0.65576183051906 78.960 > 37 75 Se 0.19587550095026 0.41531799609340 0.06569936601438 78.960 > 38 76 Se 0.69587550095026 0.41531799609340 0.06569936601438 78.960 > 38 77 Se 0.45842271280737 0.43798668972054 0.34423816948094 78.960 > 39 78 Se 0.95842271280737 0.43798668972054 0.34423816948094 78.960 > 39 *79 Se 0.43672977521930 0.77140052252783 0.92453269181477 78.960 > 40 80 Se 0.93672977521930 0.77140052252783 0.92453269181477 78.960 > 40 81 Se 0.49957518887559 0.60757684299353 0.98152467222177 78.960 > 41 82 Se 0.99957518887559 0.60757684299353 0.98152467222177 78.960 > 41 83 Se 0.19465165057597 0.43431891968176 0.67512605528247 78.960 > 42 84 Se 0.69465165057597 0.43431891968176 0.67512605528247 78.960 > 42 *85 Se 0.32539642749440 0.16210920677598 0.60727986290260 78.960 > 43 86 Se 0.82539642749440 0.16210920677598 0.60727986290260 78.960 > 43 87 Se 0.33562150194758 0.28017276146312 0.88568052790877 78.960 > 44 88 Se 0.83562150194758 0.28017276146312 0.88568052790877 78.960 > 44 89 Se 0.49956235191419 0.13953820242158 0.37011370290293 78.960 > 45 90 Se 0.99956235191419 0.13953820242158 0.37011370290293 78.960 > 45 *91 Se 0.17988760910058 0.15508635669052 0.93793885098807 78.960 > 46 92 Se 0.67988760910058 0.15508635669052 0.93793885098807 78.960 > 46 93 Se 0.17988760910058 0.34491364330948 0.43793885098807 78.960 > 47 94 Se 0.67988760910058 0.34491364330948 0.43793885098807 78.960 > 47 95 Se 0.32011239089942 0.65508635669052 0.56206114901193 78.960 > 48 96 Se 0.82011239089942 0.65508635669052 0.56206114901193 78.960 > 48 97 Se 0.30412449904974 0.91531799609340 0.43430063398562 78.960 > 49 98 Se 0.80412449904974 0.91531799609340 0.43430063398562 78.960 > 49 99 Se 0.24896764348708 0.82208341133150 0.24508260875231 78.960 > 50 100 Se 0.74896764348708 0.82208341133150 0.24508260875231 78.960 > 50 101 Se 0.04157728719262 0.93798668972054 0.15576183051906 78.960 > 51 102 Se 0.54157728719262 0.93798668972054 0.15576183051906 78.960 > 51 103 Se 0.17950853040177 0.89881919317823 0.82016416974348 78.960 > 52 104 Se 0.67950853040177 0.89881919317823 0.82016416974348 78.960 > 52 105 Se 0.00043764808581 0.86046179757842 0.62988629709707 78.960 > 53 106 Se 0.50043764808581 0.86046179757842 0.62988629709707 78.960 > 53 107 Se 0.32539642749440 0.33789079322402 0.10727986290260 78.960 > 54 108 Se 0.82539642749440 0.33789079322402 0.10727986290260 78.960 > 54 109 Se 0.25103235651292 0.32208341133150 0.25491739124769 78.960 > 55 110 Se 0.75103235651292 0.32208341133150 0.25491739124769 78.960 > 55 111 Se 0.43672977521930 0.72859947747217 0.42453269181477 78.960 > 56 112 Se 0.93672977521930 0.72859947747217 0.42453269181477 78.960 > 56 113 Se 0.33562150194758 0.21982723853688 0.38568052790877 78.960 > 57 114 Se 0.83562150194758 0.21982723853688 0.38568052790877 78.960 > 57 115 Se 0.06327022478070 0.22859947747217 0.07546730818523 78.960 > 58 116 Se 0.56327022478070 0.22859947747217 0.07546730818523 78.960 > 58 117 Se 0.00042481112441 0.39242315700647 0.01847532777823 78.960 > 59 118 Se 0.50042481112441 0.39242315700647 0.01847532777823 78.960 > 59 119 Se 0.25103235651292 0.17791658866850 0.75491739124769 78.960 > 60 120 Se 0.75103235651292 0.17791658866850 0.75491739124769 78.960 > 60 121 Se 0.16437849805242 0.71982723853688 0.11431947209123 78.960 > 61 122 Se 0.66437849805242 0.71982723853688 0.11431947209123 78.960 > 61 123 Se 0.03227963881436 0.79631171555954 0.80065272183572 78.960 > 62 124 Se 0.53227963881436 0.79631171555954 0.80065272183572 78.960 > 62 125 Se 0.32049146959823 0.10118080682177 0.17983583025652 78.960 > 63 126 Se 0.82049146959823 0.10118080682177 0.17983583025652 78.960 > 63 127 Se 0.00043764808581 0.63953820242158 0.12988629709707 78.960 > 64 128 Se 0.50043764808581 0.63953820242158 0.12988629709707 78.960 > 64 129 Se 0.30534834942403 0.93431891968176 0.82487394471753 78.960 > 65 130 Se 0.80534834942403 0.93431891968176 0.82487394471753 78.960 > 65 131 Se 0.06327022478070 0.27140052252783 0.57546730818523 78.960 > 66 132 Se 0.56327022478070 0.27140052252783 0.57546730818523 78.960 > 66 133 Se 0.17460357250560 0.83789079322402 0.39272013709740 78.960 > 67 134 Se 0.67460357250560 0.83789079322402 0.39272013709740 78.960 > 67 135 Se 0.46772036118564 0.29631171555954 0.69934727816428 78.960 > 68 136 Se 0.96772036118564 0.29631171555954 0.69934727816428 78.960 > 68 137 Se 0.32011239089942 0.84491364330948 0.06206114901193 78.960 > 69 138 Se 0.82011239089942 0.84491364330948 0.06206114901193 78.960 > 69 139 Se 0.17460357250560 0.66210920677598 0.89272013709740 78.960 > 70 140 Se 0.67460357250560 0.66210920677598 0.89272013709740 78.960 > 70 141 Se 0.30412449904974 0.58468200390660 0.93430063398562 78.960 > 71 142 Se 0.80412449904974 0.58468200390660 0.93430063398562 78.960 > 71 143 Se 0.46772036118564 0.20368828444046 0.19934727816428 78.960 > 72 144 Se 0.96772036118564 0.20368828444046 0.19934727816428 78.960 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6056613 0.0000000 1.3446816 0.0000000 11.8363851 0.0000000 1.3446691 0.0000000 13.2389358 -------------------------- Born effective charges -------------------------- 1 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 2 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 3 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 4 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 5 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 6 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 7 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 8 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 9 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 10 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 11 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 12 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 13 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 14 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 15 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 16 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 17 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 18 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 19 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 20 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 21 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 22 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 23 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 24 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 25 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 26 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 27 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 28 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 29 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 30 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 31 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 32 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 33 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 34 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 35 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 36 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 37 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 38 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 39 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 40 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 41 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 42 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 43 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 44 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 45 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 46 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 47 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 48 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 49 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 50 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 51 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 52 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 53 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 54 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 55 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 56 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 57 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 58 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 59 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 60 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 61 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 62 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 63 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 64 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 65 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 66 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 67 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 68 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 69 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 70 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 71 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 72 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 ---------------------------------------------------------------------------- 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: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 222 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 164 (1) Compute compressed projector. (1) Use standard solver. (1) 128 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 222 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 164 (1) Compute compressed projector. (1) Use standard solver. (1) 128 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 128), data: (2592, 164) @ (164, 128) |-- (592, 564), data: False |-- (592, 34), data: (592, 62) @ (62, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 225), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 128), data: (2592, 164) @ (164, 128) |-- (592, 564), data: False |-- (592, 34), data: (592, 62) @ (62, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 225), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 4.266 Solver_block: 200 / 2160 - Time: 3.705 Solver_block: 300 / 2160 - Time: 3.718 Solver_block: 400 / 2160 - Time: 3.716 Solver_block: 500 / 2160 - Time: 3.722 Solver_block: 600 / 2160 - Time: 3.724 Solver_block: 700 / 2160 - Time: 3.714 Solver_block: 800 / 2160 - Time: 3.719 Solver_block: 900 / 2160 - Time: 3.718 Solver_block: 1000 / 2160 - Time: 3.718 Solver_block: 1100 / 2160 - Time: 3.717 Solver_block: 1200 / 2160 - Time: 3.727 Solver_block: 1300 / 2160 - Time: 3.724 Solver_block: 1400 / 2160 - Time: 3.729 Solver_block: 1500 / 2160 - Time: 3.721 Solver_block: 1600 / 2160 - Time: 3.727 Solver_block: 1700 / 2160 - Time: 3.722 Solver_block: 1800 / 2160 - Time: 3.728 Solver_block: 1900 / 2160 - Time: 3.720 Solver_block: 2000 / 2160 - Time: 3.719 Solver_block: 2100 / 2160 - Time: 3.716 Solver_block: 2160 / 2160 - Time: 2.382 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 83.624 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 222 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 164 (1) Compute compressed projector. (1) Use standard solver. (1) 128 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 222 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 164 (1) Compute compressed projector. (1) Use standard solver. (1) 128 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 128), data: (2592, 164) @ (164, 128) |-- (592, 564), data: False |-- (592, 34), data: (592, 62) @ (62, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 225), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 128), data: (2592, 164) @ (164, 128) |-- (592, 564), data: False |-- (592, 34), data: (592, 62) @ (62, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 225), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:06:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:06:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506147380410376 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): 1 Nb 0.59250640804634 0.77818441494928 0.91359192613040 92.906 2 Nb 0.40749359195366 0.27818441494928 0.58640807386960 92.906 3 Nb 0.40749359195366 0.22181558505072 0.08640807386959 92.906 4 Nb 0.59250640804634 0.72181558505072 0.41359192613041 92.906 5 Nb 0.78424573336603 0.27422751149857 0.28116861710660 92.906 6 Nb 0.21575426663397 0.77422751149857 0.21883138289340 92.906 7 Nb 0.21575426663397 0.72577248850143 0.71883138289340 92.906 8 Nb 0.78424573336603 0.22577248850143 0.78116861710660 92.906 9 Tl 0.10340546642940 0.40858875928404 0.23569131022485 204.383 10 Tl 0.75912601188654 0.42488280948631 0.50003210062909 204.383 11 Tl 0.33307930436162 0.37883392582472 0.85957959101116 204.383 12 Tl 0.24087398811346 0.92488280948631 0.99996789937091 204.383 13 Tl 0.10340546642940 0.09141124071596 0.73569131022485 204.383 14 Tl 0.24087398811346 0.57511719051369 0.49996789937091 204.383 15 Tl 0.66692069563838 0.87883392582472 0.64042040898884 204.383 16 Tl 0.89659453357060 0.90858875928404 0.26430868977515 204.383 17 Tl 0.89659453357060 0.59141124071596 0.76430868977515 204.383 18 Tl 0.33307930436162 0.12116607417528 0.35957959101116 204.383 19 Tl 0.75912601188654 0.07511719051369 0.00003210062909 204.383 20 Tl 0.66692069563838 0.62116607417528 0.14042040898884 204.383 21 Cu 0.89360742828489 0.81099249199697 0.07118217981080 63.546 22 Cu 0.89360742828489 0.68900750800303 0.57118217981080 63.546 23 Cu 0.10639257171511 0.31099249199697 0.42881782018920 63.546 24 Cu 0.10639257171511 0.18900750800303 0.92881782018920 63.546 25 Se 0.64098293919647 0.39881919317823 0.67983583025652 78.960 26 Se 0.35901706080353 0.60118080682177 0.32016416974348 78.960 27 Se 0.61069669884806 0.56568108031824 0.32487394471753 78.960 28 Se 0.32875699610484 0.78017276146312 0.61431947209123 78.960 29 Se 0.38930330115194 0.06568108031824 0.17512605528247 78.960 30 Se 0.06455927762873 0.70368828444046 0.30065272183572 78.960 31 Se 0.91684542561475 0.06201331027946 0.84423816948094 78.960 32 Se 0.99915037775119 0.89242315700647 0.48152467222177 78.960 33 Se 0.49793528697416 0.67791658866850 0.74508260875231 78.960 34 Se 0.99912470382839 0.36046179757842 0.87011370290293 78.960 35 Se 0.39175100190053 0.08468200390660 0.56569936601438 78.960 36 Se 0.00084962224881 0.10757684299353 0.51847532777823 78.960 37 Se 0.08315457438525 0.56201331027946 0.65576183051906 78.960 38 Se 0.39175100190053 0.41531799609340 0.06569936601438 78.960 39 Se 0.91684542561475 0.43798668972054 0.34423816948094 78.960 40 Se 0.87345955043861 0.77140052252783 0.92453269181477 78.960 41 Se 0.99915037775119 0.60757684299353 0.98152467222177 78.960 42 Se 0.38930330115194 0.43431891968176 0.67512605528247 78.960 43 Se 0.65079285498881 0.16210920677598 0.60727986290260 78.960 44 Se 0.67124300389516 0.28017276146312 0.88568052790877 78.960 45 Se 0.99912470382839 0.13953820242158 0.37011370290293 78.960 46 Se 0.35977521820115 0.15508635669052 0.93793885098807 78.960 47 Se 0.35977521820115 0.34491364330948 0.43793885098807 78.960 48 Se 0.64022478179885 0.65508635669052 0.56206114901193 78.960 49 Se 0.60824899809947 0.91531799609340 0.43430063398562 78.960 50 Se 0.49793528697416 0.82208341133150 0.24508260875231 78.960 51 Se 0.08315457438525 0.93798668972054 0.15576183051906 78.960 52 Se 0.35901706080353 0.89881919317823 0.82016416974348 78.960 53 Se 0.00087529617161 0.86046179757842 0.62988629709707 78.960 54 Se 0.65079285498881 0.33789079322402 0.10727986290260 78.960 55 Se 0.50206471302584 0.32208341133150 0.25491739124769 78.960 56 Se 0.87345955043861 0.72859947747217 0.42453269181477 78.960 57 Se 0.67124300389516 0.21982723853688 0.38568052790877 78.960 58 Se 0.12654044956139 0.22859947747217 0.07546730818523 78.960 59 Se 0.00084962224881 0.39242315700647 0.01847532777823 78.960 60 Se 0.50206471302584 0.17791658866850 0.75491739124769 78.960 61 Se 0.32875699610484 0.71982723853688 0.11431947209123 78.960 62 Se 0.06455927762873 0.79631171555954 0.80065272183572 78.960 63 Se 0.64098293919647 0.10118080682177 0.17983583025652 78.960 64 Se 0.00087529617161 0.63953820242158 0.12988629709707 78.960 65 Se 0.61069669884806 0.93431891968176 0.82487394471753 78.960 66 Se 0.12654044956139 0.27140052252783 0.57546730818523 78.960 67 Se 0.34920714501119 0.83789079322402 0.39272013709740 78.960 68 Se 0.93544072237127 0.29631171555954 0.69934727816428 78.960 69 Se 0.64022478179885 0.84491364330948 0.06206114901193 78.960 70 Se 0.34920714501119 0.66210920677598 0.89272013709740 78.960 71 Se 0.60824899809947 0.58468200390660 0.93430063398562 78.960 72 Se 0.93544072237127 0.20368828444046 0.19934727816428 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.012294760820751 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): 1 Nb 0.29625320402317 0.77818441494928 0.91359192613040 92.906 > 1 2 Nb 0.79625320402317 0.77818441494928 0.91359192613040 92.906 > 1 3 Nb 0.20374679597683 0.27818441494928 0.58640807386960 92.906 > 3 4 Nb 0.70374679597683 0.27818441494928 0.58640807386960 92.906 > 3 5 Nb 0.20374679597683 0.22181558505072 0.08640807386959 92.906 > 5 6 Nb 0.70374679597683 0.22181558505072 0.08640807386959 92.906 > 5 7 Nb 0.29625320402317 0.72181558505072 0.41359192613041 92.906 > 7 8 Nb 0.79625320402317 0.72181558505072 0.41359192613041 92.906 > 7 9 Nb 0.39212286668302 0.27422751149857 0.28116861710660 92.906 > 9 10 Nb 0.89212286668302 0.27422751149857 0.28116861710660 92.906 > 9 11 Nb 0.10787713331698 0.77422751149857 0.21883138289340 92.906 > 11 12 Nb 0.60787713331698 0.77422751149857 0.21883138289340 92.906 > 11 13 Nb 0.10787713331698 0.72577248850143 0.71883138289340 92.906 > 13 14 Nb 0.60787713331698 0.72577248850143 0.71883138289340 92.906 > 13 15 Nb 0.39212286668302 0.22577248850143 0.78116861710660 92.906 > 15 16 Nb 0.89212286668302 0.22577248850143 0.78116861710660 92.906 > 15 17 Tl 0.05170273321470 0.40858875928404 0.23569131022485 204.383 > 17 18 Tl 0.55170273321470 0.40858875928404 0.23569131022485 204.383 > 17 19 Tl 0.37956300594327 0.42488280948631 0.50003210062909 204.383 > 19 20 Tl 0.87956300594327 0.42488280948631 0.50003210062909 204.383 > 19 21 Tl 0.16653965218081 0.37883392582472 0.85957959101116 204.383 > 21 22 Tl 0.66653965218081 0.37883392582472 0.85957959101116 204.383 > 21 23 Tl 0.12043699405673 0.92488280948631 0.99996789937091 204.383 > 23 24 Tl 0.62043699405673 0.92488280948631 0.99996789937091 204.383 > 23 25 Tl 0.05170273321470 0.09141124071596 0.73569131022485 204.383 > 25 26 Tl 0.55170273321470 0.09141124071596 0.73569131022485 204.383 > 25 27 Tl 0.12043699405673 0.57511719051369 0.49996789937091 204.383 > 27 28 Tl 0.62043699405673 0.57511719051369 0.49996789937091 204.383 > 27 29 Tl 0.33346034781919 0.87883392582472 0.64042040898884 204.383 > 29 30 Tl 0.83346034781919 0.87883392582472 0.64042040898884 204.383 > 29 31 Tl 0.44829726678530 0.90858875928404 0.26430868977515 204.383 > 31 32 Tl 0.94829726678530 0.90858875928404 0.26430868977515 204.383 > 31 33 Tl 0.44829726678530 0.59141124071596 0.76430868977515 204.383 > 33 34 Tl 0.94829726678530 0.59141124071596 0.76430868977515 204.383 > 33 35 Tl 0.16653965218081 0.12116607417528 0.35957959101116 204.383 > 35 36 Tl 0.66653965218081 0.12116607417528 0.35957959101116 204.383 > 35 37 Tl 0.37956300594327 0.07511719051369 0.00003210062909 204.383 > 37 38 Tl 0.87956300594327 0.07511719051369 0.00003210062909 204.383 > 37 39 Tl 0.33346034781919 0.62116607417528 0.14042040898884 204.383 > 39 40 Tl 0.83346034781919 0.62116607417528 0.14042040898884 204.383 > 39 41 Cu 0.44680371414245 0.81099249199697 0.07118217981080 63.546 > 41 42 Cu 0.94680371414245 0.81099249199697 0.07118217981080 63.546 > 41 43 Cu 0.44680371414245 0.68900750800303 0.57118217981080 63.546 > 43 44 Cu 0.94680371414245 0.68900750800303 0.57118217981080 63.546 > 43 45 Cu 0.05319628585755 0.31099249199697 0.42881782018920 63.546 > 45 46 Cu 0.55319628585755 0.31099249199697 0.42881782018920 63.546 > 45 47 Cu 0.05319628585755 0.18900750800303 0.92881782018920 63.546 > 47 48 Cu 0.55319628585755 0.18900750800303 0.92881782018920 63.546 > 47 49 Se 0.32049146959823 0.39881919317823 0.67983583025652 78.960 > 49 50 Se 0.82049146959823 0.39881919317823 0.67983583025652 78.960 > 49 51 Se 0.17950853040177 0.60118080682177 0.32016416974348 78.960 > 51 52 Se 0.67950853040177 0.60118080682177 0.32016416974348 78.960 > 51 53 Se 0.30534834942403 0.56568108031824 0.32487394471753 78.960 > 53 54 Se 0.80534834942403 0.56568108031824 0.32487394471753 78.960 > 53 55 Se 0.16437849805242 0.78017276146312 0.61431947209123 78.960 > 55 56 Se 0.66437849805242 0.78017276146312 0.61431947209123 78.960 > 55 57 Se 0.19465165057597 0.06568108031824 0.17512605528247 78.960 > 57 58 Se 0.69465165057597 0.06568108031824 0.17512605528247 78.960 > 57 59 Se 0.03227963881436 0.70368828444046 0.30065272183572 78.960 > 59 60 Se 0.53227963881436 0.70368828444046 0.30065272183572 78.960 > 59 61 Se 0.45842271280737 0.06201331027946 0.84423816948094 78.960 > 61 62 Se 0.95842271280737 0.06201331027946 0.84423816948094 78.960 > 61 63 Se 0.49957518887559 0.89242315700647 0.48152467222177 78.960 > 63 64 Se 0.99957518887559 0.89242315700647 0.48152467222177 78.960 > 63 65 Se 0.24896764348708 0.67791658866850 0.74508260875231 78.960 > 65 66 Se 0.74896764348708 0.67791658866850 0.74508260875231 78.960 > 65 67 Se 0.49956235191419 0.36046179757842 0.87011370290293 78.960 > 67 68 Se 0.99956235191419 0.36046179757842 0.87011370290293 78.960 > 67 69 Se 0.19587550095026 0.08468200390660 0.56569936601438 78.960 > 69 70 Se 0.69587550095026 0.08468200390660 0.56569936601438 78.960 > 69 71 Se 0.00042481112441 0.10757684299353 0.51847532777823 78.960 > 71 72 Se 0.50042481112441 0.10757684299353 0.51847532777823 78.960 > 71 73 Se 0.04157728719262 0.56201331027946 0.65576183051906 78.960 > 73 74 Se 0.54157728719262 0.56201331027946 0.65576183051906 78.960 > 73 75 Se 0.19587550095026 0.41531799609340 0.06569936601438 78.960 > 75 76 Se 0.69587550095026 0.41531799609340 0.06569936601438 78.960 > 75 77 Se 0.45842271280737 0.43798668972054 0.34423816948094 78.960 > 77 78 Se 0.95842271280737 0.43798668972054 0.34423816948094 78.960 > 77 79 Se 0.43672977521930 0.77140052252783 0.92453269181477 78.960 > 79 80 Se 0.93672977521930 0.77140052252783 0.92453269181477 78.960 > 79 81 Se 0.49957518887559 0.60757684299353 0.98152467222177 78.960 > 81 82 Se 0.99957518887559 0.60757684299353 0.98152467222177 78.960 > 81 83 Se 0.19465165057597 0.43431891968176 0.67512605528247 78.960 > 83 84 Se 0.69465165057597 0.43431891968176 0.67512605528247 78.960 > 83 85 Se 0.32539642749440 0.16210920677598 0.60727986290260 78.960 > 85 86 Se 0.82539642749440 0.16210920677598 0.60727986290260 78.960 > 85 87 Se 0.33562150194758 0.28017276146312 0.88568052790877 78.960 > 87 88 Se 0.83562150194758 0.28017276146312 0.88568052790877 78.960 > 87 89 Se 0.49956235191419 0.13953820242158 0.37011370290293 78.960 > 89 90 Se 0.99956235191419 0.13953820242158 0.37011370290293 78.960 > 89 91 Se 0.17988760910058 0.15508635669052 0.93793885098807 78.960 > 91 92 Se 0.67988760910058 0.15508635669052 0.93793885098807 78.960 > 91 93 Se 0.17988760910058 0.34491364330948 0.43793885098807 78.960 > 93 94 Se 0.67988760910058 0.34491364330948 0.43793885098807 78.960 > 93 95 Se 0.32011239089942 0.65508635669052 0.56206114901193 78.960 > 95 96 Se 0.82011239089942 0.65508635669052 0.56206114901193 78.960 > 95 97 Se 0.30412449904974 0.91531799609340 0.43430063398562 78.960 > 97 98 Se 0.80412449904974 0.91531799609340 0.43430063398562 78.960 > 97 99 Se 0.24896764348708 0.82208341133150 0.24508260875231 78.960 > 99 100 Se 0.74896764348708 0.82208341133150 0.24508260875231 78.960 > 99 101 Se 0.04157728719262 0.93798668972054 0.15576183051906 78.960 > 101 102 Se 0.54157728719262 0.93798668972054 0.15576183051906 78.960 > 101 103 Se 0.17950853040177 0.89881919317823 0.82016416974348 78.960 > 103 104 Se 0.67950853040177 0.89881919317823 0.82016416974348 78.960 > 103 105 Se 0.00043764808581 0.86046179757842 0.62988629709707 78.960 > 105 106 Se 0.50043764808581 0.86046179757842 0.62988629709707 78.960 > 105 107 Se 0.32539642749440 0.33789079322402 0.10727986290260 78.960 > 107 108 Se 0.82539642749440 0.33789079322402 0.10727986290260 78.960 > 107 109 Se 0.25103235651292 0.32208341133150 0.25491739124769 78.960 > 109 110 Se 0.75103235651292 0.32208341133150 0.25491739124769 78.960 > 109 111 Se 0.43672977521930 0.72859947747217 0.42453269181477 78.960 > 111 112 Se 0.93672977521930 0.72859947747217 0.42453269181477 78.960 > 111 113 Se 0.33562150194758 0.21982723853688 0.38568052790877 78.960 > 113 114 Se 0.83562150194758 0.21982723853688 0.38568052790877 78.960 > 113 115 Se 0.06327022478070 0.22859947747217 0.07546730818523 78.960 > 115 116 Se 0.56327022478070 0.22859947747217 0.07546730818523 78.960 > 115 117 Se 0.00042481112441 0.39242315700647 0.01847532777823 78.960 > 117 118 Se 0.50042481112441 0.39242315700647 0.01847532777823 78.960 > 117 119 Se 0.25103235651292 0.17791658866850 0.75491739124769 78.960 > 119 120 Se 0.75103235651292 0.17791658866850 0.75491739124769 78.960 > 119 121 Se 0.16437849805242 0.71982723853688 0.11431947209123 78.960 > 121 122 Se 0.66437849805242 0.71982723853688 0.11431947209123 78.960 > 121 123 Se 0.03227963881436 0.79631171555954 0.80065272183572 78.960 > 123 124 Se 0.53227963881436 0.79631171555954 0.80065272183572 78.960 > 123 125 Se 0.32049146959823 0.10118080682177 0.17983583025652 78.960 > 125 126 Se 0.82049146959823 0.10118080682177 0.17983583025652 78.960 > 125 127 Se 0.00043764808581 0.63953820242158 0.12988629709707 78.960 > 127 128 Se 0.50043764808581 0.63953820242158 0.12988629709707 78.960 > 127 129 Se 0.30534834942403 0.93431891968176 0.82487394471753 78.960 > 129 130 Se 0.80534834942403 0.93431891968176 0.82487394471753 78.960 > 129 131 Se 0.06327022478070 0.27140052252783 0.57546730818523 78.960 > 131 132 Se 0.56327022478070 0.27140052252783 0.57546730818523 78.960 > 131 133 Se 0.17460357250560 0.83789079322402 0.39272013709740 78.960 > 133 134 Se 0.67460357250560 0.83789079322402 0.39272013709740 78.960 > 133 135 Se 0.46772036118564 0.29631171555954 0.69934727816428 78.960 > 135 136 Se 0.96772036118564 0.29631171555954 0.69934727816428 78.960 > 135 137 Se 0.32011239089942 0.84491364330948 0.06206114901193 78.960 > 137 138 Se 0.82011239089942 0.84491364330948 0.06206114901193 78.960 > 137 139 Se 0.17460357250560 0.66210920677598 0.89272013709740 78.960 > 139 140 Se 0.67460357250560 0.66210920677598 0.89272013709740 78.960 > 139 141 Se 0.30412449904974 0.58468200390660 0.93430063398562 78.960 > 141 142 Se 0.80412449904974 0.58468200390660 0.93430063398562 78.960 > 141 143 Se 0.46772036118564 0.20368828444046 0.19934727816428 78.960 > 143 144 Se 0.96772036118564 0.20368828444046 0.19934727816428 78.960 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6056613 0.0000000 1.3446816 0.0000000 11.8363851 0.0000000 1.3446691 0.0000000 13.2389358 -------------------------- Born effective charges -------------------------- 1 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 2 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 3 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 4 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 5 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 6 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 7 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 8 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 9 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 10 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 11 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 12 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 13 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 14 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 15 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 16 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 17 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 18 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 19 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 20 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 21 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 22 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 23 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 24 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 25 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 26 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 27 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 28 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 29 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 30 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 31 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 32 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 33 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 34 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 35 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 36 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 37 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 38 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 39 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 40 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 41 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 42 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 43 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 44 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 45 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 46 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 47 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 48 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 49 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 50 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 51 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 52 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 53 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 54 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 55 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 56 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 57 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 58 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 59 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 60 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 61 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 62 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 63 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 64 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 65 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 66 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 67 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 68 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 69 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 70 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 71 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 72 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 55, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 61, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 67, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 69, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 85, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 91, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 19:09:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:09:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506147380410376 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): 1 Nb 0.59250640804634 0.77818441494928 0.91359192613040 92.906 2 Nb 0.40749359195366 0.27818441494928 0.58640807386960 92.906 3 Nb 0.40749359195366 0.22181558505072 0.08640807386959 92.906 4 Nb 0.59250640804634 0.72181558505072 0.41359192613041 92.906 5 Nb 0.78424573336603 0.27422751149857 0.28116861710660 92.906 6 Nb 0.21575426663397 0.77422751149857 0.21883138289340 92.906 7 Nb 0.21575426663397 0.72577248850143 0.71883138289340 92.906 8 Nb 0.78424573336603 0.22577248850143 0.78116861710660 92.906 9 Tl 0.10340546642940 0.40858875928404 0.23569131022485 204.383 10 Tl 0.75912601188654 0.42488280948631 0.50003210062909 204.383 11 Tl 0.33307930436162 0.37883392582472 0.85957959101116 204.383 12 Tl 0.24087398811346 0.92488280948631 0.99996789937091 204.383 13 Tl 0.10340546642940 0.09141124071596 0.73569131022485 204.383 14 Tl 0.24087398811346 0.57511719051369 0.49996789937091 204.383 15 Tl 0.66692069563838 0.87883392582472 0.64042040898884 204.383 16 Tl 0.89659453357060 0.90858875928404 0.26430868977515 204.383 17 Tl 0.89659453357060 0.59141124071596 0.76430868977515 204.383 18 Tl 0.33307930436162 0.12116607417528 0.35957959101116 204.383 19 Tl 0.75912601188654 0.07511719051369 0.00003210062909 204.383 20 Tl 0.66692069563838 0.62116607417528 0.14042040898884 204.383 21 Cu 0.89360742828489 0.81099249199697 0.07118217981080 63.546 22 Cu 0.89360742828489 0.68900750800303 0.57118217981080 63.546 23 Cu 0.10639257171511 0.31099249199697 0.42881782018920 63.546 24 Cu 0.10639257171511 0.18900750800303 0.92881782018920 63.546 25 Se 0.64098293919647 0.39881919317823 0.67983583025652 78.960 26 Se 0.35901706080353 0.60118080682177 0.32016416974348 78.960 27 Se 0.61069669884806 0.56568108031824 0.32487394471753 78.960 28 Se 0.32875699610484 0.78017276146312 0.61431947209123 78.960 29 Se 0.38930330115194 0.06568108031824 0.17512605528247 78.960 30 Se 0.06455927762873 0.70368828444046 0.30065272183572 78.960 31 Se 0.91684542561475 0.06201331027946 0.84423816948094 78.960 32 Se 0.99915037775119 0.89242315700647 0.48152467222177 78.960 33 Se 0.49793528697416 0.67791658866850 0.74508260875231 78.960 34 Se 0.99912470382839 0.36046179757842 0.87011370290293 78.960 35 Se 0.39175100190053 0.08468200390660 0.56569936601438 78.960 36 Se 0.00084962224881 0.10757684299353 0.51847532777823 78.960 37 Se 0.08315457438525 0.56201331027946 0.65576183051906 78.960 38 Se 0.39175100190053 0.41531799609340 0.06569936601438 78.960 39 Se 0.91684542561475 0.43798668972054 0.34423816948094 78.960 40 Se 0.87345955043861 0.77140052252783 0.92453269181477 78.960 41 Se 0.99915037775119 0.60757684299353 0.98152467222177 78.960 42 Se 0.38930330115194 0.43431891968176 0.67512605528247 78.960 43 Se 0.65079285498881 0.16210920677598 0.60727986290260 78.960 44 Se 0.67124300389516 0.28017276146312 0.88568052790877 78.960 45 Se 0.99912470382839 0.13953820242158 0.37011370290293 78.960 46 Se 0.35977521820115 0.15508635669052 0.93793885098807 78.960 47 Se 0.35977521820115 0.34491364330948 0.43793885098807 78.960 48 Se 0.64022478179885 0.65508635669052 0.56206114901193 78.960 49 Se 0.60824899809947 0.91531799609340 0.43430063398562 78.960 50 Se 0.49793528697416 0.82208341133150 0.24508260875231 78.960 51 Se 0.08315457438525 0.93798668972054 0.15576183051906 78.960 52 Se 0.35901706080353 0.89881919317823 0.82016416974348 78.960 53 Se 0.00087529617161 0.86046179757842 0.62988629709707 78.960 54 Se 0.65079285498881 0.33789079322402 0.10727986290260 78.960 55 Se 0.50206471302584 0.32208341133150 0.25491739124769 78.960 56 Se 0.87345955043861 0.72859947747217 0.42453269181477 78.960 57 Se 0.67124300389516 0.21982723853688 0.38568052790877 78.960 58 Se 0.12654044956139 0.22859947747217 0.07546730818523 78.960 59 Se 0.00084962224881 0.39242315700647 0.01847532777823 78.960 60 Se 0.50206471302584 0.17791658866850 0.75491739124769 78.960 61 Se 0.32875699610484 0.71982723853688 0.11431947209123 78.960 62 Se 0.06455927762873 0.79631171555954 0.80065272183572 78.960 63 Se 0.64098293919647 0.10118080682177 0.17983583025652 78.960 64 Se 0.00087529617161 0.63953820242158 0.12988629709707 78.960 65 Se 0.61069669884806 0.93431891968176 0.82487394471753 78.960 66 Se 0.12654044956139 0.27140052252783 0.57546730818523 78.960 67 Se 0.34920714501119 0.83789079322402 0.39272013709740 78.960 68 Se 0.93544072237127 0.29631171555954 0.69934727816428 78.960 69 Se 0.64022478179885 0.84491364330948 0.06206114901193 78.960 70 Se 0.34920714501119 0.66210920677598 0.89272013709740 78.960 71 Se 0.60824899809947 0.58468200390660 0.93430063398562 78.960 72 Se 0.93544072237127 0.20368828444046 0.19934727816428 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.012294760820751 0.000000000000000 0.000000000000000 b 0.000000000000000 13.199766540000004 0.000000000000000 c -7.861878824124902 0.000000000000000 14.756559982287587 Atomic positions (fractional): 1 Nb 0.29625320402317 0.77818441494928 0.91359192613040 92.906 > 1 2 Nb 0.79625320402317 0.77818441494928 0.91359192613040 92.906 > 1 3 Nb 0.20374679597683 0.27818441494928 0.58640807386960 92.906 > 3 4 Nb 0.70374679597683 0.27818441494928 0.58640807386960 92.906 > 3 5 Nb 0.20374679597683 0.22181558505072 0.08640807386959 92.906 > 5 6 Nb 0.70374679597683 0.22181558505072 0.08640807386959 92.906 > 5 7 Nb 0.29625320402317 0.72181558505072 0.41359192613041 92.906 > 7 8 Nb 0.79625320402317 0.72181558505072 0.41359192613041 92.906 > 7 9 Nb 0.39212286668302 0.27422751149857 0.28116861710660 92.906 > 9 10 Nb 0.89212286668302 0.27422751149857 0.28116861710660 92.906 > 9 11 Nb 0.10787713331698 0.77422751149857 0.21883138289340 92.906 > 11 12 Nb 0.60787713331698 0.77422751149857 0.21883138289340 92.906 > 11 13 Nb 0.10787713331698 0.72577248850143 0.71883138289340 92.906 > 13 14 Nb 0.60787713331698 0.72577248850143 0.71883138289340 92.906 > 13 15 Nb 0.39212286668302 0.22577248850143 0.78116861710660 92.906 > 15 16 Nb 0.89212286668302 0.22577248850143 0.78116861710660 92.906 > 15 17 Tl 0.05170273321470 0.40858875928404 0.23569131022485 204.383 > 17 18 Tl 0.55170273321470 0.40858875928404 0.23569131022485 204.383 > 17 19 Tl 0.37956300594327 0.42488280948631 0.50003210062909 204.383 > 19 20 Tl 0.87956300594327 0.42488280948631 0.50003210062909 204.383 > 19 21 Tl 0.16653965218081 0.37883392582472 0.85957959101116 204.383 > 21 22 Tl 0.66653965218081 0.37883392582472 0.85957959101116 204.383 > 21 23 Tl 0.12043699405673 0.92488280948631 0.99996789937091 204.383 > 23 24 Tl 0.62043699405673 0.92488280948631 0.99996789937091 204.383 > 23 25 Tl 0.05170273321470 0.09141124071596 0.73569131022485 204.383 > 25 26 Tl 0.55170273321470 0.09141124071596 0.73569131022485 204.383 > 25 27 Tl 0.12043699405673 0.57511719051369 0.49996789937091 204.383 > 27 28 Tl 0.62043699405673 0.57511719051369 0.49996789937091 204.383 > 27 29 Tl 0.33346034781919 0.87883392582472 0.64042040898884 204.383 > 29 30 Tl 0.83346034781919 0.87883392582472 0.64042040898884 204.383 > 29 31 Tl 0.44829726678530 0.90858875928404 0.26430868977515 204.383 > 31 32 Tl 0.94829726678530 0.90858875928404 0.26430868977515 204.383 > 31 33 Tl 0.44829726678530 0.59141124071596 0.76430868977515 204.383 > 33 34 Tl 0.94829726678530 0.59141124071596 0.76430868977515 204.383 > 33 35 Tl 0.16653965218081 0.12116607417528 0.35957959101116 204.383 > 35 36 Tl 0.66653965218081 0.12116607417528 0.35957959101116 204.383 > 35 37 Tl 0.37956300594327 0.07511719051369 0.00003210062909 204.383 > 37 38 Tl 0.87956300594327 0.07511719051369 0.00003210062909 204.383 > 37 39 Tl 0.33346034781919 0.62116607417528 0.14042040898884 204.383 > 39 40 Tl 0.83346034781919 0.62116607417528 0.14042040898884 204.383 > 39 41 Cu 0.44680371414245 0.81099249199697 0.07118217981080 63.546 > 41 42 Cu 0.94680371414245 0.81099249199697 0.07118217981080 63.546 > 41 43 Cu 0.44680371414245 0.68900750800303 0.57118217981080 63.546 > 43 44 Cu 0.94680371414245 0.68900750800303 0.57118217981080 63.546 > 43 45 Cu 0.05319628585755 0.31099249199697 0.42881782018920 63.546 > 45 46 Cu 0.55319628585755 0.31099249199697 0.42881782018920 63.546 > 45 47 Cu 0.05319628585755 0.18900750800303 0.92881782018920 63.546 > 47 48 Cu 0.55319628585755 0.18900750800303 0.92881782018920 63.546 > 47 49 Se 0.32049146959823 0.39881919317823 0.67983583025652 78.960 > 49 50 Se 0.82049146959823 0.39881919317823 0.67983583025652 78.960 > 49 51 Se 0.17950853040177 0.60118080682177 0.32016416974348 78.960 > 51 52 Se 0.67950853040177 0.60118080682177 0.32016416974348 78.960 > 51 53 Se 0.30534834942403 0.56568108031824 0.32487394471753 78.960 > 53 54 Se 0.80534834942403 0.56568108031824 0.32487394471753 78.960 > 53 55 Se 0.16437849805242 0.78017276146312 0.61431947209123 78.960 > 55 56 Se 0.66437849805242 0.78017276146312 0.61431947209123 78.960 > 55 57 Se 0.19465165057597 0.06568108031824 0.17512605528247 78.960 > 57 58 Se 0.69465165057597 0.06568108031824 0.17512605528247 78.960 > 57 59 Se 0.03227963881436 0.70368828444046 0.30065272183572 78.960 > 59 60 Se 0.53227963881436 0.70368828444046 0.30065272183572 78.960 > 59 61 Se 0.45842271280737 0.06201331027946 0.84423816948094 78.960 > 61 62 Se 0.95842271280737 0.06201331027946 0.84423816948094 78.960 > 61 63 Se 0.49957518887559 0.89242315700647 0.48152467222177 78.960 > 63 64 Se 0.99957518887559 0.89242315700647 0.48152467222177 78.960 > 63 65 Se 0.24896764348708 0.67791658866850 0.74508260875231 78.960 > 65 66 Se 0.74896764348708 0.67791658866850 0.74508260875231 78.960 > 65 67 Se 0.49956235191419 0.36046179757842 0.87011370290293 78.960 > 67 68 Se 0.99956235191419 0.36046179757842 0.87011370290293 78.960 > 67 69 Se 0.19587550095026 0.08468200390660 0.56569936601438 78.960 > 69 70 Se 0.69587550095026 0.08468200390660 0.56569936601438 78.960 > 69 71 Se 0.00042481112441 0.10757684299353 0.51847532777823 78.960 > 71 72 Se 0.50042481112441 0.10757684299353 0.51847532777823 78.960 > 71 73 Se 0.04157728719262 0.56201331027946 0.65576183051906 78.960 > 73 74 Se 0.54157728719262 0.56201331027946 0.65576183051906 78.960 > 73 75 Se 0.19587550095026 0.41531799609340 0.06569936601438 78.960 > 75 76 Se 0.69587550095026 0.41531799609340 0.06569936601438 78.960 > 75 77 Se 0.45842271280737 0.43798668972054 0.34423816948094 78.960 > 77 78 Se 0.95842271280737 0.43798668972054 0.34423816948094 78.960 > 77 79 Se 0.43672977521930 0.77140052252783 0.92453269181477 78.960 > 79 80 Se 0.93672977521930 0.77140052252783 0.92453269181477 78.960 > 79 81 Se 0.49957518887559 0.60757684299353 0.98152467222177 78.960 > 81 82 Se 0.99957518887559 0.60757684299353 0.98152467222177 78.960 > 81 83 Se 0.19465165057597 0.43431891968176 0.67512605528247 78.960 > 83 84 Se 0.69465165057597 0.43431891968176 0.67512605528247 78.960 > 83 85 Se 0.32539642749440 0.16210920677598 0.60727986290260 78.960 > 85 86 Se 0.82539642749440 0.16210920677598 0.60727986290260 78.960 > 85 87 Se 0.33562150194758 0.28017276146312 0.88568052790877 78.960 > 87 88 Se 0.83562150194758 0.28017276146312 0.88568052790877 78.960 > 87 89 Se 0.49956235191419 0.13953820242158 0.37011370290293 78.960 > 89 90 Se 0.99956235191419 0.13953820242158 0.37011370290293 78.960 > 89 91 Se 0.17988760910058 0.15508635669052 0.93793885098807 78.960 > 91 92 Se 0.67988760910058 0.15508635669052 0.93793885098807 78.960 > 91 93 Se 0.17988760910058 0.34491364330948 0.43793885098807 78.960 > 93 94 Se 0.67988760910058 0.34491364330948 0.43793885098807 78.960 > 93 95 Se 0.32011239089942 0.65508635669052 0.56206114901193 78.960 > 95 96 Se 0.82011239089942 0.65508635669052 0.56206114901193 78.960 > 95 97 Se 0.30412449904974 0.91531799609340 0.43430063398562 78.960 > 97 98 Se 0.80412449904974 0.91531799609340 0.43430063398562 78.960 > 97 99 Se 0.24896764348708 0.82208341133150 0.24508260875231 78.960 > 99 100 Se 0.74896764348708 0.82208341133150 0.24508260875231 78.960 > 99 101 Se 0.04157728719262 0.93798668972054 0.15576183051906 78.960 > 101 102 Se 0.54157728719262 0.93798668972054 0.15576183051906 78.960 > 101 103 Se 0.17950853040177 0.89881919317823 0.82016416974348 78.960 > 103 104 Se 0.67950853040177 0.89881919317823 0.82016416974348 78.960 > 103 105 Se 0.00043764808581 0.86046179757842 0.62988629709707 78.960 > 105 106 Se 0.50043764808581 0.86046179757842 0.62988629709707 78.960 > 105 107 Se 0.32539642749440 0.33789079322402 0.10727986290260 78.960 > 107 108 Se 0.82539642749440 0.33789079322402 0.10727986290260 78.960 > 107 109 Se 0.25103235651292 0.32208341133150 0.25491739124769 78.960 > 109 110 Se 0.75103235651292 0.32208341133150 0.25491739124769 78.960 > 109 111 Se 0.43672977521930 0.72859947747217 0.42453269181477 78.960 > 111 112 Se 0.93672977521930 0.72859947747217 0.42453269181477 78.960 > 111 113 Se 0.33562150194758 0.21982723853688 0.38568052790877 78.960 > 113 114 Se 0.83562150194758 0.21982723853688 0.38568052790877 78.960 > 113 115 Se 0.06327022478070 0.22859947747217 0.07546730818523 78.960 > 115 116 Se 0.56327022478070 0.22859947747217 0.07546730818523 78.960 > 115 117 Se 0.00042481112441 0.39242315700647 0.01847532777823 78.960 > 117 118 Se 0.50042481112441 0.39242315700647 0.01847532777823 78.960 > 117 119 Se 0.25103235651292 0.17791658866850 0.75491739124769 78.960 > 119 120 Se 0.75103235651292 0.17791658866850 0.75491739124769 78.960 > 119 121 Se 0.16437849805242 0.71982723853688 0.11431947209123 78.960 > 121 122 Se 0.66437849805242 0.71982723853688 0.11431947209123 78.960 > 121 123 Se 0.03227963881436 0.79631171555954 0.80065272183572 78.960 > 123 124 Se 0.53227963881436 0.79631171555954 0.80065272183572 78.960 > 123 125 Se 0.32049146959823 0.10118080682177 0.17983583025652 78.960 > 125 126 Se 0.82049146959823 0.10118080682177 0.17983583025652 78.960 > 125 127 Se 0.00043764808581 0.63953820242158 0.12988629709707 78.960 > 127 128 Se 0.50043764808581 0.63953820242158 0.12988629709707 78.960 > 127 129 Se 0.30534834942403 0.93431891968176 0.82487394471753 78.960 > 129 130 Se 0.80534834942403 0.93431891968176 0.82487394471753 78.960 > 129 131 Se 0.06327022478070 0.27140052252783 0.57546730818523 78.960 > 131 132 Se 0.56327022478070 0.27140052252783 0.57546730818523 78.960 > 131 133 Se 0.17460357250560 0.83789079322402 0.39272013709740 78.960 > 133 134 Se 0.67460357250560 0.83789079322402 0.39272013709740 78.960 > 133 135 Se 0.46772036118564 0.29631171555954 0.69934727816428 78.960 > 135 136 Se 0.96772036118564 0.29631171555954 0.69934727816428 78.960 > 135 137 Se 0.32011239089942 0.84491364330948 0.06206114901193 78.960 > 137 138 Se 0.82011239089942 0.84491364330948 0.06206114901193 78.960 > 137 139 Se 0.17460357250560 0.66210920677598 0.89272013709740 78.960 > 139 140 Se 0.67460357250560 0.66210920677598 0.89272013709740 78.960 > 139 141 Se 0.30412449904974 0.58468200390660 0.93430063398562 78.960 > 141 142 Se 0.80412449904974 0.58468200390660 0.93430063398562 78.960 > 141 143 Se 0.46772036118564 0.20368828444046 0.19934727816428 78.960 > 143 144 Se 0.96772036118564 0.20368828444046 0.19934727816428 78.960 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6056613 0.0000000 1.3446816 0.0000000 11.8363851 0.0000000 1.3446691 0.0000000 13.2389358 -------------------------- Born effective charges -------------------------- 1 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 2 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 3 Nb 2.8245518 0.9206897 1.1672921 -0.8301838 0.8035047 0.3605404 -0.0255764 1.2859173 3.6828328 4 Nb 2.8245518 -0.9206897 1.1672921 0.8301838 0.8035047 -0.3605404 -0.0255764 -1.2859173 3.6828328 5 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 6 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 7 Nb 2.3607207 0.2714544 0.9925253 -0.9191152 2.8709705 0.4605749 1.0118854 0.7181437 2.1674950 8 Nb 2.3607207 -0.2714544 0.9925253 0.9191152 2.8709705 -0.4605749 1.0118854 -0.7181437 2.1674950 9 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 10 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 11 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 12 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 13 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 14 Tl 1.6028671 0.0004037 -0.2569349 -0.1755128 2.8823822 -0.2160389 -0.2290587 0.0262402 2.6568560 15 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 16 Tl 2.4750507 -1.2238456 -0.6706671 -0.7369587 2.3600037 0.1965416 -0.4857640 0.4043462 2.3713190 17 Tl 2.4750507 1.2238456 -0.6706671 0.7369587 2.3600037 -0.1965416 -0.4857640 -0.4043462 2.3713190 18 Tl 2.8565039 -0.5668492 -0.3525903 -0.3995875 1.8946898 0.4302194 -0.9214828 0.5166659 2.3215797 19 Tl 1.6028671 -0.0004037 -0.2569349 0.1755128 2.8823822 0.2160389 -0.2290587 -0.0262402 2.6568560 20 Tl 2.8565039 0.5668492 -0.3525903 0.3995875 1.8946898 -0.4302194 -0.9214828 -0.5166659 2.3215797 21 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 22 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 23 Cu 0.0027874 -0.0922205 -0.6431281 0.3615559 0.5987337 -0.1286186 -0.3390727 -0.1109162 -0.3417031 24 Cu 0.0027874 0.0922205 -0.6431281 -0.3615559 0.5987337 0.1286186 -0.3390727 0.1109162 -0.3417031 25 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 26 Se 1.0715988 -1.6628870 -0.4737176 -1.8105147 -0.8916408 -0.2517600 0.7010535 -0.6188366 -1.1297781 27 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 28 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 29 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 30 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 31 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 32 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 33 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 34 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 35 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 36 Se -1.4360135 0.2283763 -0.5124582 -0.2678874 0.8624872 0.4380842 0.1129956 0.3837902 -3.0288593 37 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 38 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 39 Se -1.4778219 -0.7840562 -0.3410510 -0.2452293 -3.1073987 -0.8494565 -0.3842485 -1.0744985 -1.4814860 40 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 41 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 42 Se -1.5694348 0.1631368 0.1794800 0.0522495 -0.0107268 0.2930807 -0.0937462 0.0635944 -1.4410061 43 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 44 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 45 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 46 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 47 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 48 Se -1.3602383 0.0385768 -0.0225832 -0.5046770 -1.2529406 0.7109448 0.7090056 1.0617656 -3.7726740 49 Se 0.2464198 0.4435518 -0.2658958 -0.0499381 -1.7223156 -0.6151574 0.2958825 -0.5096447 -1.5638093 50 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 51 Se -1.4778219 0.7840562 -0.3410510 0.2452293 -3.1073987 0.8494565 -0.3842485 1.0744985 -1.4814860 52 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 53 Se -1.0353247 0.9130504 -0.2930791 0.7426702 -1.7366342 -0.9531897 -2.2381055 -0.8843928 3.2605967 54 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 55 Se -1.6813628 0.5305454 -0.3825853 0.6767080 -0.4449751 -0.2659864 -0.2514517 -0.9596788 0.3230403 56 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 57 Se -1.3668129 -1.1289618 1.5810966 -0.5838467 -0.3997759 -0.7747392 1.0583728 -0.7601552 -0.6730226 58 Se -1.0953511 -0.2845208 0.6912516 -0.4116236 -0.8407121 -0.7697684 0.2228737 -0.8705849 -0.0007252 59 Se -1.4360135 -0.2283763 -0.5124582 0.2678874 0.8624872 -0.4380842 0.1129956 -0.3837902 -3.0288593 60 Se -1.6813628 -0.5305454 -0.3825853 -0.6767080 -0.4449751 0.2659864 -0.2514517 0.9596788 0.3230403 61 Se -1.3668129 1.1289618 1.5810966 0.5838467 -0.3997759 0.7747392 1.0583728 0.7601552 -0.6730226 62 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 63 Se 1.0715988 1.6628870 -0.4737176 1.8105147 -0.8916408 0.2517600 0.7010535 0.6188366 -1.1297781 64 Se -1.0353247 -0.9130504 -0.2930791 -0.7426702 -1.7366342 0.9531897 -2.2381055 0.8843928 3.2605967 65 Se -1.5694348 -0.1631368 0.1794800 -0.0522495 -0.0107268 -0.2930807 -0.0937462 -0.0635944 -1.4410061 66 Se -1.0953511 0.2845208 0.6912516 0.4116236 -0.8407121 0.7697684 0.2228737 0.8705849 -0.0007252 67 Se 0.3809927 1.4929120 0.2175138 1.2630508 0.0764786 0.3174848 1.1469037 0.9844237 -0.1531705 68 Se -2.7991328 0.4277319 -0.6144687 0.1959046 -1.9421306 -0.0490918 -0.2904664 -0.3869469 -3.1974854 69 Se -1.3602383 -0.0385768 -0.0225832 0.5046770 -1.2529406 -0.7109448 0.7090056 -1.0617656 -3.7726740 70 Se 0.3809927 -1.4929120 0.2175138 -1.2630508 0.0764786 -0.3174848 1.1469037 -0.9844237 -0.1531705 71 Se 0.2464198 -0.4435518 -0.2658958 0.0499381 -1.7223156 0.6151574 0.2958825 0.5096447 -1.5638093 72 Se -2.7991328 -0.4277319 -0.6144687 -0.1959046 -1.9421306 0.0490918 -0.2904664 0.3869469 -3.1974854 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.34, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.115 ( 0.000 0.000 0.000) 0.000 0.153 ( 0.000 0.000 0.000) 0.000 0.334 ( 0.000 0.000 0.000) 0.000 0.345 ( 0.000 0.000 0.000) 0.000 0.498 ( 0.000 0.000 0.000) 0.000 0.532 ( 0.000 0.000 0.000) 0.000 0.623 ( 0.000 0.000 0.000) 0.000 0.630 ( 0.000 0.000 0.000) 0.000 0.676 ( 0.000 0.000 0.000) 0.000 0.761 ( 0.000 0.000 0.000) 0.000 0.766 ( 0.000 0.000 0.000) 0.000 0.779 ( 0.000 0.000 0.000) 0.000 0.791 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.845 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 0.000) 0.000 0.891 ( 0.000 0.000 0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 0.912 ( 0.000 0.000 0.000) 0.000 0.942 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 0.958 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.046 ( 0.000 0.000 0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.488 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.17 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.148 ( 7.246 0.000 -7.951) 10.757 0.179 ( 2.911 0.000 1.707) 3.375 0.219 ( 13.315 0.000 -6.279) 14.721 0.247 ( 9.387 0.000 6.154) 11.224 0.323 ( 0.091 0.000 0.884) 0.889 0.351 ( 0.045 0.000 1.641) 1.642 0.531 ( 7.993 0.000 7.235) 10.781 0.537 ( 9.872 0.000 4.766) 10.963 0.598 ( 2.262 0.000 5.653) 6.089 0.638 ( 2.774 0.000 -0.892) 2.914 0.658 ( 2.221 0.000 1.566) 2.717 0.715 ( -2.953 0.000 -1.654) 3.385 0.741 ( 0.830 0.000 -1.824) 2.004 0.787 ( 5.424 0.000 4.218) 6.871 0.807 ( 0.252 0.000 -0.125) 0.281 0.816 ( 1.873 0.000 2.355) 3.009 0.836 ( -1.251 0.000 -0.071) 1.253 0.837 ( 1.716 0.000 2.328) 2.892 0.864 ( 1.167 0.000 -1.747) 2.100 0.879 ( -1.737 0.000 -1.023) 2.016 0.920 ( 1.867 0.000 1.448) 2.363 0.926 ( -0.311 0.000 -1.171) 1.211 0.955 ( 2.705 0.000 1.619) 3.153 0.956 ( -0.323 0.000 -0.251) 0.409 0.979 ( 1.501 0.000 -0.232) 1.518 0.992 ( 1.331 0.000 0.838) 1.573 0.994 ( 1.920 0.000 -3.238) 3.764 1.019 ( 0.165 0.000 4.220) 4.224 1.024 ( 1.454 0.000 0.363) 1.498 1.052 ( 1.152 0.000 0.495) 1.254 1.075 ( -1.925 0.000 2.161) 2.895 1.097 ( -3.114 0.000 -3.880) 4.975 1.120 ( -2.209 0.000 -1.599) 2.727 1.121 ( 1.470 0.000 2.030) 2.506 1.139 ( 0.584 0.000 -0.746) 0.947 1.186 ( 1.094 0.000 -3.178) 3.361 1.217 ( -0.303 0.000 -0.247) 0.391 1.234 ( 1.115 0.000 2.313) 2.568 1.266 ( -2.113 0.000 -0.077) 2.114 1.286 ( -2.844 0.000 1.119) 3.056 1.304 ( 0.329 0.000 -0.164) 0.367 1.320 ( 1.205 0.000 -2.657) 2.917 1.358 ( 2.397 0.000 3.192) 3.992 1.410 ( -1.422 0.000 2.941) 3.267 1.423 ( -3.934 0.000 -4.703) 6.132 1.476 ( 1.551 0.000 0.868) 1.777 1.481 ( -3.431 0.000 -5.272) 6.290 1.514 ( -0.701 0.000 -3.009) 3.090 1.523 ( 0.195 0.000 -2.328) 2.336 1.564 ( -4.302 0.000 -5.863) 7.272 1.566 ( 2.948 0.000 -4.692) 5.541 1.589 ( -0.164 0.000 1.860) 1.868 1.618 ( 0.227 0.000 0.460) 0.513 1.622 ( -0.199 0.000 -0.938) 0.959 1.674 ( -0.491 0.000 2.080) 2.137 1.725 ( 2.737 0.000 -0.213) 2.745 1.742 ( 1.598 0.000 2.519) 2.983 1.790 ( -1.308 0.000 -0.012) 1.308 1.876 ( -2.128 0.000 0.584) 2.207 1.912 ( -4.698 0.000 -5.226) 7.027 1.913 ( -0.282 0.000 1.175) 1.208 1.956 ( -5.934 0.000 -5.040) 7.785 2.077 ( -0.502 0.000 0.962) 1.085 2.108 ( 0.356 0.000 1.441) 1.484 2.115 ( -0.127 0.000 2.674) 2.677 2.125 ( -0.689 0.000 -0.509) 0.856 2.237 ( -1.569 0.000 -2.774) 3.187 2.239 ( -1.537 0.000 -0.501) 1.617 2.319 ( 2.121 0.000 -0.167) 2.128 2.325 ( 1.672 0.000 -0.922) 1.909 2.335 ( -0.973 0.000 -0.025) 0.973 2.340 ( 1.086 0.000 2.844) 3.045 2.358 ( -2.114 0.000 -1.696) 2.710 2.408 ( 0.382 0.000 1.641) 1.685 2.416 ( 1.993 0.000 2.555) 3.241 2.453 ( 0.657 0.000 -1.040) 1.230 2.487 ( 3.115 0.000 2.687) 4.114 2.510 ( -0.615 0.000 -1.108) 1.267 2.515 ( 1.378 0.000 1.957) 2.393 2.540 ( 2.376 0.000 3.793) 4.475 2.578 ( -0.537 0.000 -1.095) 1.220 2.651 ( 0.797 0.000 1.467) 1.670 2.681 ( -1.109 0.000 -0.581) 1.252 2.693 ( -3.096 0.000 -2.209) 3.803 2.728 ( 1.931 0.000 3.781) 4.246 2.743 ( -1.933 0.000 3.930) 4.380 2.793 ( -1.296 0.000 -1.048) 1.667 2.799 ( -1.969 0.000 -2.386) 3.094 2.818 ( 0.641 0.000 2.036) 2.135 2.842 ( -0.523 0.000 1.144) 1.258 2.876 ( 1.095 0.000 2.181) 2.441 2.877 ( 0.437 0.000 3.068) 3.099 2.920 ( -1.373 0.000 -2.172) 2.570 2.943 ( -2.432 0.000 -3.316) 4.112 2.953 ( -0.847 0.000 -1.255) 1.514 2.954 ( -0.541 0.000 -1.275) 1.385 3.018 ( 0.331 0.000 -0.021) 0.332 3.046 ( 2.364 0.000 3.509) 4.231 3.046 ( -1.053 0.000 -0.824) 1.337 3.070 ( 1.443 0.000 -0.456) 1.513 3.102 ( 1.895 0.000 0.707) 2.022 3.135 ( -1.626 0.000 -0.961) 1.889 3.182 ( -1.110 0.000 -0.856) 1.402 3.216 ( 1.501 0.000 1.305) 1.989 3.234 ( -0.793 0.000 -1.139) 1.388 3.275 ( -1.417 0.000 -1.611) 2.145 3.303 ( 0.015 0.000 0.703) 0.703 3.322 ( -0.440 0.000 -1.739) 1.794 3.328 ( 0.078 0.000 0.330) 0.340 3.358 ( 1.148 0.000 2.074) 2.371 3.371 ( -0.896 0.000 -1.829) 2.037 3.392 ( -3.480 0.000 -3.410) 4.872 3.459 ( 0.970 0.000 1.286) 1.611 3.496 ( -0.453 0.000 -1.545) 1.610 3.524 ( -0.328 0.000 1.817) 1.846 3.528 ( 1.359 0.000 2.633) 2.963 3.689 ( 1.103 0.000 2.387) 2.629 3.719 ( 0.035 0.000 0.467) 0.468 3.738 ( -1.414 0.000 1.230) 1.874 3.779 ( -2.437 0.000 -1.309) 2.766 3.801 ( 0.556 0.000 0.367) 0.666 3.820 ( -0.206 0.000 -0.217) 0.299 3.833 ( 1.009 0.000 1.394) 1.721 3.860 ( -0.820 0.000 -1.140) 1.404 4.139 ( 0.118 0.000 0.419) 0.435 4.147 ( -0.616 0.000 -0.790) 1.002 4.153 ( -0.193 0.000 0.162) 0.252 4.159 ( -0.410 0.000 -0.475) 0.628 4.303 ( -0.213 0.000 0.044) 0.218 4.320 ( -0.200 0.000 -0.104) 0.226 4.325 ( -0.033 0.000 0.270) 0.272 4.330 ( -0.093 0.000 0.149) 0.175 4.394 ( 0.344 0.000 0.447) 0.564 4.417 ( -1.341 0.000 -1.288) 1.859 4.460 ( 0.303 0.000 0.237) 0.385 4.468 ( -0.545 0.000 -1.140) 1.264 4.601 ( 1.759 0.000 2.801) 3.308 4.610 ( 2.253 0.000 2.273) 3.200 4.637 ( -1.404 0.000 -1.750) 2.244 4.658 ( -0.884 0.000 -1.414) 1.667 4.827 ( -0.079 0.000 0.104) 0.131 4.853 ( 0.879 0.000 0.185) 0.898 4.873 ( -1.002 0.000 -1.629) 1.912 4.883 ( -0.909 0.000 -1.335) 1.615 5.045 ( -0.854 0.000 0.966) 1.290 5.048 ( -2.354 0.000 -0.944) 2.536 5.051 ( -0.704 0.000 1.032) 1.249 5.057 ( -2.221 0.000 -0.907) 2.399 5.166 ( 0.466 0.000 -0.143) 0.488 5.175 ( 0.544 0.000 0.291) 0.617 5.179 ( 0.553 0.000 0.515) 0.755 5.181 ( 0.329 0.000 -0.375) 0.499 5.219 ( 1.962 0.000 0.292) 1.984 5.234 ( 2.098 0.000 0.645) 2.195 5.244 ( 1.572 0.000 0.478) 1.643 5.274 ( 1.343 0.000 -0.179) 1.355 5.396 ( 0.026 0.000 0.963) 0.963 5.409 ( -1.094 0.000 2.938) 3.135 5.431 ( -1.418 0.000 -0.727) 1.594 5.449 ( -1.270 0.000 -0.003) 1.270 5.512 ( 0.793 0.000 1.384) 1.595 5.553 ( -1.219 0.000 -1.806) 2.179 5.615 ( -0.143 0.000 0.276) 0.311 5.630 ( 1.404 0.000 1.831) 2.307 5.659 ( 1.774 0.000 2.988) 3.475 5.697 ( -0.522 0.000 -0.080) 0.528 5.718 ( -1.809 0.000 -1.714) 2.492 5.736 ( -1.732 0.000 -1.696) 2.425 5.853 ( 0.094 0.000 0.147) 0.175 5.873 ( 0.180 0.000 0.114) 0.213 5.876 ( 0.105 0.000 -0.373) 0.387 5.885 ( 0.027 0.000 0.078) 0.082 6.065 ( 1.071 0.000 1.244) 1.641 6.080 ( -0.534 0.000 -0.304) 0.614 6.089 ( -0.825 0.000 -1.090) 1.367 6.090 ( -0.288 0.000 1.196) 1.231 6.113 ( 0.149 0.000 0.639) 0.656 6.119 ( -0.358 0.000 -0.628) 0.722 6.125 ( -0.083 0.000 -0.303) 0.314 6.138 ( -0.021 0.000 0.838) 0.839 6.386 ( -0.141 0.000 0.036) 0.146 6.399 ( -0.167 0.000 0.062) 0.178 6.628 ( 0.982 0.000 2.668) 2.842 6.675 ( -2.894 0.000 -3.210) 4.322 6.760 ( 0.077 0.000 1.041) 1.044 6.771 ( -0.995 0.000 -0.474) 1.102 6.851 ( 2.381 0.000 2.535) 3.478 6.888 ( -0.888 0.000 -1.562) 1.797 7.218 ( 1.261 0.000 0.330) 1.304 7.259 ( 0.448 0.000 -0.703) 0.833 7.283 ( 0.105 0.000 -0.405) 0.419 7.303 ( -1.457 0.000 0.496) 1.539 7.503 ( 0.171 0.000 0.363) 0.401 7.520 ( -0.553 0.000 -0.507) 0.751 7.550 ( -0.859 0.000 0.556) 1.023 7.592 ( -2.260 0.000 0.347) 2.286 7.777 ( 0.641 0.000 -0.843) 1.059 7.794 ( 0.110 0.000 -0.136) 0.175 7.847 ( 0.078 0.000 0.782) 0.786 7.862 ( -1.136 0.000 -1.066) 1.558 7.955 ( 0.133 0.000 -0.176) 0.221 7.961 ( -0.736 0.000 0.539) 0.912 7.975 ( -0.206 0.000 -0.667) 0.698 7.992 ( 0.761 0.000 0.538) 0.932 8.035 ( -0.691 0.000 3.684) 3.748 8.058 ( -0.947 0.000 -0.486) 1.064 8.064 ( -1.818 0.000 1.440) 2.320 8.097 ( -1.168 0.000 -0.074) 1.170 8.822 ( 0.698 0.000 -0.566) 0.899 8.825 ( -0.096 0.000 -0.182) 0.206 8.850 ( 0.629 0.000 0.446) 0.771 8.891 ( -0.092 0.000 -0.315) 0.329 8.974 ( 0.117 0.000 -0.128) 0.173 9.014 ( 0.211 0.000 0.243) 0.321 9.036 ( 1.026 0.000 -3.099) 3.264 9.049 ( 0.699 0.000 0.436) 0.823 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.33 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 3.717 0.000 -2.985) 4.767 0.243 ( 2.900 0.000 0.928) 3.045 0.314 ( -0.145 0.000 -0.340) 0.369 0.345 ( -0.284 0.000 -0.072) 0.293 0.406 ( 9.937 0.000 -1.327) 10.026 0.488 ( 8.469 0.000 7.293) 11.177 0.511 ( 0.322 0.000 -5.413) 5.422 0.638 ( -0.551 0.000 -3.989) 4.027 0.643 ( -1.664 0.000 -2.348) 2.878 0.675 ( 2.950 0.000 -0.661) 3.023 0.712 ( -0.395 0.000 0.889) 0.973 0.730 ( -0.410 0.000 -4.504) 4.522 0.732 ( 0.224 0.000 0.387) 0.447 0.784 ( -3.013 0.000 -1.335) 3.296 0.804 ( -2.544 0.000 -1.997) 3.234 0.816 ( -2.892 0.000 -2.383) 3.747 0.819 ( -1.910 0.000 -1.014) 2.162 0.847 ( 0.267 0.000 -0.752) 0.798 0.866 ( -4.480 0.000 -5.169) 6.841 0.867 ( 0.737 0.000 1.316) 1.508 0.937 ( 2.316 0.000 -0.567) 2.385 0.946 ( -0.541 0.000 -0.408) 0.677 0.956 ( 1.014 0.000 0.372) 1.080 0.986 ( -0.207 0.000 0.529) 0.569 0.992 ( 4.820 0.000 2.787) 5.568 0.993 ( -1.032 0.000 -0.397) 1.106 1.034 ( -0.885 0.000 -1.462) 1.709 1.037 ( -0.798 0.000 -0.968) 1.255 1.052 ( 4.738 0.000 5.949) 7.605 1.075 ( 1.121 0.000 1.210) 1.650 1.076 ( 2.409 0.000 -0.150) 2.414 1.118 ( 3.675 0.000 0.087) 3.676 1.131 ( 2.829 0.000 -1.380) 3.148 1.155 ( 0.755 0.000 0.776) 1.082 1.156 ( -3.454 0.000 -2.659) 4.359 1.159 ( 0.341 0.000 4.111) 4.125 1.195 ( -1.636 0.000 -0.478) 1.705 1.199 ( 1.839 0.000 0.726) 1.977 1.241 ( -1.911 0.000 -0.362) 1.945 1.265 ( -0.066 0.000 -3.246) 3.246 1.286 ( -1.165 0.000 2.794) 3.028 1.287 ( 0.254 0.000 -3.247) 3.257 1.348 ( -3.485 0.000 -2.361) 4.209 1.409 ( 1.127 0.000 3.786) 3.950 1.427 ( -1.217 0.000 0.036) 1.218 1.447 ( 2.030 0.000 2.417) 3.156 1.471 ( 1.170 0.000 1.722) 2.082 1.517 ( 1.938 0.000 -1.309) 2.339 1.541 ( 2.366 0.000 -2.941) 3.774 1.550 ( 2.787 0.000 3.515) 4.486 1.596 ( 2.463 0.000 -0.714) 2.564 1.603 ( -0.894 0.000 2.007) 2.197 1.626 ( 0.445 0.000 0.353) 0.568 1.645 ( 1.767 0.000 0.422) 1.816 1.673 ( 0.301 0.000 1.775) 1.800 1.715 ( -3.511 0.000 -2.913) 4.562 1.765 ( 0.911 0.000 3.173) 3.301 1.815 ( 1.558 0.000 2.389) 2.853 1.833 ( -1.158 0.000 0.033) 1.159 1.862 ( -1.505 0.000 0.603) 1.621 1.913 ( 2.204 0.000 6.750) 7.100 1.978 ( 3.345 0.000 6.868) 7.639 2.030 ( -4.158 0.000 -5.324) 6.755 2.037 ( -3.425 0.000 -3.437) 4.852 2.099 ( -0.718 0.000 -0.539) 0.898 2.137 ( -0.813 0.000 -0.045) 0.815 2.205 ( -0.587 0.000 -0.161) 0.608 2.213 ( 0.123 0.000 -1.109) 1.115 2.271 ( -3.574 0.000 -2.308) 4.255 2.302 ( -0.719 0.000 -1.621) 1.773 2.350 ( 0.645 0.000 -0.239) 0.688 2.370 ( 1.941 0.000 0.608) 2.034 2.379 ( 1.735 0.000 1.498) 2.293 2.431 ( -1.116 0.000 -0.335) 1.165 2.447 ( 0.260 0.000 1.436) 1.460 2.469 ( 1.411 0.000 -0.391) 1.464 2.483 ( -1.113 0.000 -1.186) 1.626 2.525 ( 0.621 0.000 0.546) 0.826 2.541 ( 0.506 0.000 0.486) 0.701 2.545 ( -2.340 0.000 -3.270) 4.021 2.567 ( -2.581 0.000 -3.630) 4.453 2.646 ( 0.867 0.000 2.647) 2.786 2.652 ( -3.693 0.000 -4.216) 5.604 2.682 ( 2.833 0.000 3.008) 4.132 2.703 ( -2.487 0.000 -2.853) 3.785 2.746 ( -0.465 0.000 0.527) 0.703 2.764 ( -0.326 0.000 2.926) 2.944 2.789 ( 0.785 0.000 1.155) 1.397 2.830 ( -2.628 0.000 -3.416) 4.310 2.842 ( -0.921 0.000 0.335) 0.980 2.863 ( -1.617 0.000 -1.852) 2.458 2.891 ( 0.942 0.000 0.849) 1.268 2.927 ( 0.146 0.000 0.508) 0.529 2.928 ( 1.184 0.000 2.770) 3.012 2.936 ( -0.007 0.000 0.964) 0.964 2.962 ( 2.441 0.000 3.353) 4.148 2.999 ( -0.969 0.000 -2.140) 2.350 3.013 ( -0.930 0.000 -1.557) 1.814 3.036 ( -3.623 0.000 -3.850) 5.287 3.084 ( -0.207 0.000 -2.104) 2.114 3.088 ( 0.678 0.000 -0.442) 0.810 3.155 ( 0.280 0.000 1.724) 1.746 3.204 ( 1.668 0.000 2.568) 3.062 3.210 ( 0.786 0.000 0.161) 0.802 3.253 ( -0.110 0.000 0.057) 0.123 3.283 ( -1.912 0.000 -1.629) 2.511 3.289 ( 2.346 0.000 1.843) 2.983 3.319 ( 1.101 0.000 2.334) 2.581 3.319 ( -0.744 0.000 -0.860) 1.137 3.346 ( -0.773 0.000 -1.189) 1.418 3.351 ( 1.291 0.000 0.835) 1.538 3.396 ( 0.909 0.000 1.954) 2.155 3.448 ( -1.353 0.000 -2.187) 2.572 3.508 ( 1.971 0.000 2.515) 3.196 3.522 ( -1.054 0.000 -0.756) 1.297 3.545 ( -1.623 0.000 -0.232) 1.640 3.710 ( -2.034 0.000 -1.619) 2.600 3.724 ( 0.348 0.000 1.098) 1.151 3.727 ( -0.509 0.000 0.709) 0.873 3.740 ( -0.018 0.000 2.185) 2.185 3.801 ( -0.188 0.000 -0.749) 0.772 3.808 ( -0.540 0.000 -1.211) 1.326 3.827 ( -1.142 0.000 -1.263) 1.702 3.872 ( 1.464 0.000 1.448) 2.059 4.129 ( -0.669 0.000 -0.545) 0.863 4.144 ( -0.505 0.000 -0.550) 0.746 4.145 ( 0.100 0.000 0.334) 0.348 4.159 ( 0.338 0.000 0.675) 0.755 4.303 ( 0.034 0.000 0.349) 0.350 4.316 ( -0.125 0.000 0.004) 0.125 4.320 ( -0.401 0.000 -0.183) 0.441 4.325 ( -0.420 0.000 -0.171) 0.454 4.397 ( -0.265 0.000 -0.188) 0.325 4.416 ( 1.022 0.000 1.542) 1.850 4.449 ( -0.431 0.000 -0.862) 0.964 4.467 ( 0.208 0.000 -0.029) 0.210 4.587 ( -1.656 0.000 -2.021) 2.613 4.621 ( -1.244 0.000 -1.992) 2.348 4.657 ( 1.499 0.000 2.244) 2.699 4.665 ( 1.519 0.000 1.582) 2.193 4.831 ( 0.311 0.000 0.154) 0.347 4.840 ( -0.918 0.000 -1.302) 1.593 4.854 ( -0.629 0.000 -1.330) 1.471 4.869 ( 0.625 0.000 0.013) 0.625 5.001 ( -1.791 0.000 -0.826) 1.972 5.013 ( -1.557 0.000 -0.759) 1.732 5.036 ( -0.864 0.000 0.729) 1.131 5.050 ( -0.453 0.000 0.790) 0.910 5.168 ( -0.023 0.000 -0.539) 0.540 5.177 ( -0.181 0.000 -0.373) 0.415 5.186 ( 0.606 0.000 -0.163) 0.627 5.194 ( 0.650 0.000 0.148) 0.667 5.264 ( 1.919 0.000 0.950) 2.142 5.276 ( 1.296 0.000 0.376) 1.349 5.280 ( 2.107 0.000 0.598) 2.191 5.296 ( 1.153 0.000 -0.158) 1.164 5.402 ( -1.032 0.000 -0.364) 1.094 5.404 ( -0.200 0.000 0.994) 1.014 5.417 ( -0.368 0.000 0.978) 1.045 5.425 ( -1.152 0.000 -0.049) 1.153 5.518 ( -1.181 0.000 -0.945) 1.513 5.548 ( 1.427 0.000 1.790) 2.289 5.608 ( -0.635 0.000 -0.357) 0.729 5.653 ( -0.159 0.000 0.133) 0.207 5.675 ( -2.217 0.000 -1.668) 2.774 5.680 ( -1.174 0.000 -1.375) 1.808 5.708 ( 1.028 0.000 1.665) 1.957 5.712 ( 1.205 0.000 2.144) 2.459 5.856 ( 0.064 0.000 0.061) 0.088 5.875 ( 0.106 0.000 -0.260) 0.281 5.876 ( 0.111 0.000 0.005) 0.111 5.884 ( -0.084 0.000 -0.062) 0.104 6.058 ( -0.873 0.000 -1.106) 1.410 6.069 ( -0.457 0.000 -0.785) 0.909 6.084 ( 0.088 0.000 0.411) 0.420 6.099 ( 0.145 0.000 0.538) 0.558 6.102 ( -0.569 0.000 -0.598) 0.826 6.123 ( 0.034 0.000 -0.351) 0.353 6.129 ( 0.750 0.000 0.970) 1.226 6.146 ( 0.155 0.000 0.324) 0.359 6.384 ( -0.092 0.000 0.062) 0.111 6.396 ( -0.209 0.000 0.012) 0.210 6.606 ( -1.834 0.000 -2.190) 2.856 6.685 ( 1.922 0.000 3.635) 4.112 6.750 ( -0.738 0.000 -0.269) 0.785 6.770 ( -0.142 0.000 0.729) 0.743 6.847 ( -1.409 0.000 -2.423) 2.803 6.904 ( 1.339 0.000 1.462) 1.983 7.244 ( -0.993 0.000 -0.920) 1.354 7.245 ( 1.155 0.000 0.691) 1.346 7.280 ( 0.184 0.000 -0.823) 0.844 7.297 ( 0.403 0.000 -0.068) 0.409 7.507 ( -0.242 0.000 -0.421) 0.486 7.512 ( 0.373 0.000 0.334) 0.501 7.539 ( -0.976 0.000 0.594) 1.142 7.550 ( -2.161 0.000 -0.327) 2.185 7.781 ( 0.216 0.000 -0.023) 0.217 7.791 ( -0.293 0.000 -0.186) 0.347 7.832 ( -0.939 0.000 -0.936) 1.326 7.855 ( -0.027 0.000 0.691) 0.692 7.948 ( -0.724 0.000 -0.117) 0.733 7.961 ( -0.829 0.000 -0.284) 0.876 7.965 ( 1.126 0.000 -0.160) 1.137 8.013 ( 0.733 0.000 0.476) 0.874 8.025 ( -2.685 0.000 1.767) 3.214 8.044 ( -0.303 0.000 0.186) 0.356 8.067 ( 0.653 0.000 0.509) 0.828 8.070 ( -1.146 0.000 -0.827) 1.413 8.823 ( -0.020 0.000 -0.116) 0.118 8.830 ( 0.325 0.000 0.153) 0.359 8.867 ( 0.645 0.000 0.496) 0.814 8.886 ( -0.129 0.000 -0.224) 0.258 8.974 ( 0.109 0.000 -0.120) 0.162 9.021 ( 0.249 0.000 0.262) 0.361 9.024 ( 0.067 0.000 -1.332) 1.334 9.067 ( 0.630 0.000 0.562) 0.844 ======================= Grid point 3 (4/30) ======================= q-point: (-0.50 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( 0.000 0.000 -0.000) 0.000 0.287 ( 0.000 0.000 0.000) 0.000 0.310 ( 0.000 0.000 -0.000) 0.000 0.321 ( -0.000 0.000 -0.000) 0.000 0.480 ( 0.000 0.000 0.000) 0.000 0.517 ( 0.000 0.000 0.000) 0.000 0.551 ( -0.000 0.000 0.000) 0.000 0.582 ( 0.000 0.000 -0.000) 0.000 0.594 ( 0.000 0.000 0.000) 0.000 0.674 ( -0.000 0.000 0.000) 0.000 0.717 ( 0.000 0.000 0.000) 0.000 0.723 ( -0.000 0.000 -0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 0.742 ( 0.000 0.000 -0.000) 0.000 0.755 ( 0.000 0.000 -0.000) 0.000 0.777 ( -0.000 0.000 -0.000) 0.000 0.777 ( 0.000 0.000 0.000) 0.000 0.826 ( 0.000 0.000 -0.000) 0.000 0.845 ( 0.000 0.000 -0.000) 0.000 0.874 ( -0.000 0.000 0.000) 0.000 0.941 ( 0.000 0.000 -0.000) 0.000 0.961 ( 0.000 0.000 -0.000) 0.000 0.979 ( 0.000 0.000 -0.000) 0.000 0.981 ( 0.000 0.000 0.000) 0.000 0.983 ( -0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.015 ( -0.000 0.000 -0.000) 0.000 1.051 ( 0.000 0.000 -0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.098 ( -0.000 0.000 -0.000) 0.000 1.106 ( 0.000 0.000 -0.000) 0.000 1.107 ( -0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 -0.000) 0.000 1.169 ( -0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 -0.000) 0.000 1.179 ( 0.000 0.000 -0.000) 0.000 1.184 ( 0.000 0.000 -0.000) 0.000 1.202 ( -0.000 0.000 -0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 -0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 -0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 -0.000) 0.000 1.515 ( 0.000 0.000 -0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 -0.000) 0.000 1.581 ( 0.000 0.000 -0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 -0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 -0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.924 ( -0.000 0.000 -0.000) 0.000 1.965 ( 0.000 0.000 -0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 -0.000) 0.000 2.215 ( -0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 -0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 -0.000) 0.000 2.331 ( -0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 -0.000) 0.000 2.452 ( -0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 -0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 -0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.772 ( -0.000 0.000 -0.000) 0.000 2.787 ( 0.000 0.000 -0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.830 ( -0.000 0.000 -0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 -0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.954 ( -0.000 0.000 -0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 -0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 -0.000) 0.000 3.092 ( 0.000 0.000 -0.000) 0.000 3.154 ( 0.000 0.000 -0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 -0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.321 ( -0.000 0.000 -0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 -0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 -0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 -0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 -0.000) 0.000 4.118 ( 0.000 0.000 -0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 -0.000) 0.000 4.167 ( 0.000 0.000 -0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 -0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.318 ( -0.000 0.000 -0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 -0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 -0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 -0.000) 0.000 4.824 ( 0.000 0.000 -0.000) 0.000 4.836 ( 0.000 0.000 -0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 -0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 -0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 -0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 -0.000) 0.000 5.307 ( 0.000 0.000 -0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.408 ( -0.000 0.000 -0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 -0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 -0.000) 0.000 5.732 ( 0.000 0.000 -0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 -0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 -0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.147 ( -0.000 0.000 -0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 -0.000) 0.000 6.743 ( 0.000 0.000 -0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.757 ( -0.000 0.000 -0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 -0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 -0.000) 0.000 7.302 ( 0.000 0.000 -0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 -0.000) 0.000 7.941 ( 0.000 0.000 -0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 7.988 ( -0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 -0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.051 ( -0.000 0.000 -0.000) 0.000 8.076 ( 0.000 0.000 -0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 -0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/30) ======================= q-point: ( 0.00 0.25 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.126 ( 0.000 1.937 0.000) 1.937 0.165 ( 0.000 8.343 0.000) 8.343 0.169 ( 0.000 -0.538 0.000) 0.538 0.242 ( 0.000 11.649 0.000) 11.649 0.322 ( 0.000 2.863 0.000) 2.863 0.354 ( 0.000 0.974 0.000) 0.974 0.391 ( 0.000 15.177 0.000) 15.177 0.450 ( 0.000 -3.561 0.000) 3.561 0.554 ( 0.000 1.617 0.000) 1.617 0.595 ( 0.000 -1.041 0.000) 1.041 0.620 ( 0.000 -5.646 0.000) 5.646 0.678 ( 0.000 3.112 0.000) 3.112 0.753 ( 0.000 -0.434 0.000) 0.434 0.753 ( 0.000 -1.326 0.000) 1.326 0.784 ( 0.000 -0.834 0.000) 0.834 0.796 ( 0.000 -0.788 0.000) 0.788 0.803 ( 0.000 -0.854 0.000) 0.854 0.829 ( 0.000 -2.741 0.000) 2.741 0.834 ( 0.000 -2.224 0.000) 2.224 0.860 ( 0.000 -0.903 0.000) 0.903 0.881 ( 0.000 -0.902 0.000) 0.902 0.919 ( 0.000 0.240 0.000) 0.240 0.925 ( 0.000 -0.443 0.000) 0.443 0.963 ( 0.000 -0.435 0.000) 0.435 0.972 ( 0.000 0.691 0.000) 0.691 0.976 ( 0.000 0.769 0.000) 0.769 0.977 ( 0.000 -1.056 0.000) 1.056 1.003 ( 0.000 -0.734 0.000) 0.734 1.032 ( 0.000 2.052 0.000) 2.052 1.042 ( 0.000 -0.626 0.000) 0.626 1.050 ( 0.000 -1.618 0.000) 1.618 1.134 ( 0.000 -0.403 0.000) 0.403 1.144 ( 0.000 -2.390 0.000) 2.390 1.146 ( 0.000 0.378 0.000) 0.378 1.168 ( 0.000 0.664 0.000) 0.664 1.183 ( 0.000 -0.624 0.000) 0.624 1.196 ( 0.000 0.129 0.000) 0.129 1.235 ( 0.000 0.222 0.000) 0.222 1.253 ( 0.000 -0.614 0.000) 0.614 1.261 ( 0.000 -5.367 0.000) 5.367 1.304 ( 0.000 -0.162 0.000) 0.162 1.324 ( 0.000 1.048 0.000) 1.048 1.352 ( 0.000 -2.573 0.000) 2.573 1.354 ( 0.000 -0.779 0.000) 0.779 1.459 ( 0.000 0.702 0.000) 0.702 1.462 ( 0.000 -2.602 0.000) 2.602 1.492 ( 0.000 0.118 0.000) 0.118 1.498 ( 0.000 -0.693 0.000) 0.693 1.525 ( 0.000 -0.811 0.000) 0.811 1.568 ( 0.000 -1.409 0.000) 1.409 1.580 ( 0.000 1.473 0.000) 1.473 1.620 ( 0.000 -0.252 0.000) 0.252 1.644 ( 0.000 0.637 0.000) 0.637 1.679 ( 0.000 -0.247 0.000) 0.247 1.704 ( 0.000 3.725 0.000) 3.725 1.751 ( 0.000 1.406 0.000) 1.406 1.766 ( 0.000 1.729 0.000) 1.729 1.802 ( 0.000 0.447 0.000) 0.447 1.916 ( 0.000 0.734 0.000) 0.734 1.922 ( 0.000 0.180 0.000) 0.180 2.056 ( 0.000 2.322 0.000) 2.322 2.070 ( 0.000 -0.789 0.000) 0.789 2.077 ( 0.000 -0.344 0.000) 0.344 2.082 ( 0.000 -0.807 0.000) 0.807 2.103 ( 0.000 -0.978 0.000) 0.978 2.118 ( 0.000 0.621 0.000) 0.621 2.218 ( 0.000 1.049 0.000) 1.049 2.252 ( 0.000 -0.314 0.000) 0.314 2.268 ( 0.000 -1.077 0.000) 1.077 2.276 ( 0.000 -0.009 0.000) 0.009 2.305 ( 0.000 -0.173 0.000) 0.173 2.317 ( 0.000 -1.437 0.000) 1.437 2.356 ( 0.000 0.712 0.000) 0.712 2.367 ( 0.000 0.279 0.000) 0.279 2.405 ( 0.000 0.769 0.000) 0.769 2.431 ( 0.000 -1.407 0.000) 1.407 2.457 ( 0.000 -0.899 0.000) 0.899 2.458 ( 0.000 -0.674 0.000) 0.674 2.533 ( 0.000 1.282 0.000) 1.282 2.553 ( 0.000 2.251 0.000) 2.251 2.584 ( 0.000 -0.545 0.000) 0.545 2.613 ( 0.000 -1.225 0.000) 1.225 2.643 ( 0.000 -0.321 0.000) 0.321 2.664 ( 0.000 -1.154 0.000) 1.154 2.706 ( 0.000 1.403 0.000) 1.403 2.753 ( 0.000 -0.125 0.000) 0.125 2.809 ( 0.000 -0.699 0.000) 0.699 2.813 ( 0.000 -1.136 0.000) 1.136 2.819 ( 0.000 -1.155 0.000) 1.155 2.820 ( 0.000 -0.443 0.000) 0.443 2.853 ( 0.000 0.255 0.000) 0.255 2.865 ( 0.000 0.168 0.000) 0.168 2.944 ( 0.000 0.443 0.000) 0.443 2.957 ( 0.000 0.187 0.000) 0.187 2.968 ( 0.000 0.368 0.000) 0.368 2.972 ( 0.000 0.626 0.000) 0.626 3.004 ( 0.000 -0.006 0.000) 0.006 3.020 ( 0.000 -0.347 0.000) 0.347 3.023 ( 0.000 0.423 0.000) 0.423 3.034 ( 0.000 -1.521 0.000) 1.521 3.117 ( 0.000 1.861 0.000) 1.861 3.143 ( 0.000 -0.026 0.000) 0.026 3.190 ( 0.000 0.539 0.000) 0.539 3.208 ( 0.000 -0.310 0.000) 0.310 3.271 ( 0.000 0.358 0.000) 0.358 3.296 ( 0.000 -0.689 0.000) 0.689 3.319 ( 0.000 1.227 0.000) 1.227 3.334 ( 0.000 0.133 0.000) 0.133 3.348 ( 0.000 0.444 0.000) 0.444 3.352 ( 0.000 -0.540 0.000) 0.540 3.375 ( 0.000 0.062 0.000) 0.062 3.410 ( 0.000 -0.834 0.000) 0.834 3.452 ( 0.000 1.268 0.000) 1.268 3.460 ( 0.000 1.186 0.000) 1.186 3.485 ( 0.000 -0.668 0.000) 0.668 3.533 ( 0.000 -1.406 0.000) 1.406 3.672 ( 0.000 1.532 0.000) 1.532 3.736 ( 0.000 -1.299 0.000) 1.299 3.760 ( 0.000 0.751 0.000) 0.751 3.772 ( 0.000 0.055 0.000) 0.055 3.805 ( 0.000 -0.623 0.000) 0.623 3.815 ( 0.000 -0.643 0.000) 0.643 3.847 ( 0.000 1.295 0.000) 1.295 3.872 ( 0.000 -0.069 0.000) 0.069 4.144 ( 0.000 0.135 0.000) 0.135 4.153 ( 0.000 -0.250 0.000) 0.250 4.161 ( 0.000 0.223 0.000) 0.223 4.165 ( 0.000 0.056 0.000) 0.056 4.309 ( 0.000 0.285 0.000) 0.285 4.321 ( 0.000 -0.162 0.000) 0.162 4.325 ( 0.000 0.005 0.000) 0.005 4.327 ( 0.000 -0.090 0.000) 0.090 4.402 ( 0.000 0.889 0.000) 0.889 4.446 ( 0.000 -0.737 0.000) 0.737 4.454 ( 0.000 0.483 0.000) 0.483 4.477 ( 0.000 -0.282 0.000) 0.282 4.557 ( 0.000 -0.545 0.000) 0.545 4.561 ( 0.000 -0.776 0.000) 0.776 4.667 ( 0.000 0.753 0.000) 0.753 4.686 ( 0.000 -0.191 0.000) 0.191 4.829 ( 0.000 0.007 0.000) 0.007 4.841 ( 0.000 -0.492 0.000) 0.492 4.881 ( 0.000 0.669 0.000) 0.669 4.899 ( 0.000 -0.037 0.000) 0.037 5.047 ( 0.000 0.072 0.000) 0.072 5.049 ( 0.000 0.023 0.000) 0.023 5.084 ( 0.000 -0.143 0.000) 0.143 5.085 ( 0.000 -0.130 0.000) 0.130 5.159 ( 0.000 0.122 0.000) 0.122 5.162 ( 0.000 0.030 0.000) 0.030 5.170 ( 0.000 0.007 0.000) 0.007 5.174 ( 0.000 -0.116 0.000) 0.116 5.201 ( 0.000 0.070 0.000) 0.070 5.206 ( 0.000 -0.229 0.000) 0.229 5.242 ( 0.000 0.440 0.000) 0.440 5.257 ( 0.000 -0.291 0.000) 0.291 5.388 ( 0.000 0.247 0.000) 0.247 5.391 ( 0.000 0.105 0.000) 0.105 5.451 ( 0.000 0.123 0.000) 0.123 5.463 ( 0.000 -0.361 0.000) 0.361 5.510 ( 0.000 1.244 0.000) 1.244 5.571 ( 0.000 -1.370 0.000) 1.370 5.606 ( 0.000 0.083 0.000) 0.083 5.612 ( 0.000 -0.135 0.000) 0.135 5.626 ( 0.000 1.131 0.000) 1.131 5.689 ( 0.000 -1.521 0.000) 1.521 5.747 ( 0.000 0.103 0.000) 0.103 5.753 ( 0.000 -0.158 0.000) 0.158 5.855 ( 0.000 0.400 0.000) 0.400 5.871 ( 0.000 -0.313 0.000) 0.313 5.877 ( 0.000 0.422 0.000) 0.422 5.884 ( 0.000 0.147 0.000) 0.147 6.043 ( 0.000 -0.085 0.000) 0.085 6.052 ( 0.000 -0.486 0.000) 0.486 6.096 ( 0.000 0.515 0.000) 0.515 6.103 ( 0.000 0.012 0.000) 0.012 6.106 ( 0.000 -0.164 0.000) 0.164 6.109 ( 0.000 -0.366 0.000) 0.366 6.134 ( 0.000 0.209 0.000) 0.209 6.136 ( 0.000 0.432 0.000) 0.432 6.401 ( 0.000 1.188 0.000) 1.188 6.409 ( 0.000 0.745 0.000) 0.745 6.606 ( 0.000 1.282 0.000) 1.282 6.699 ( 0.000 -2.996 0.000) 2.996 6.773 ( 0.000 0.368 0.000) 0.368 6.783 ( 0.000 0.554 0.000) 0.554 6.819 ( 0.000 1.495 0.000) 1.495 6.890 ( 0.000 -1.361 0.000) 1.361 7.208 ( 0.000 0.542 0.000) 0.542 7.246 ( 0.000 -0.947 0.000) 0.947 7.258 ( 0.000 0.152 0.000) 0.152 7.276 ( 0.000 -0.700 0.000) 0.700 7.511 ( 0.000 0.874 0.000) 0.874 7.538 ( 0.000 0.903 0.000) 0.903 7.549 ( 0.000 -0.714 0.000) 0.714 7.576 ( 0.000 -0.679 0.000) 0.679 7.782 ( 0.000 0.899 0.000) 0.899 7.819 ( 0.000 -0.159 0.000) 0.159 7.838 ( 0.000 0.021 0.000) 0.021 7.871 ( 0.000 -0.862 0.000) 0.862 7.969 ( 0.000 1.193 0.000) 1.193 7.979 ( 0.000 -0.037 0.000) 0.037 7.982 ( 0.000 -0.063 0.000) 0.063 8.005 ( 0.000 0.483 0.000) 0.483 8.038 ( 0.000 -0.193 0.000) 0.193 8.040 ( 0.000 -0.959 0.000) 0.959 8.074 ( 0.000 0.233 0.000) 0.233 8.102 ( 0.000 -0.955 0.000) 0.955 8.811 ( 0.000 0.541 0.000) 0.541 8.836 ( 0.000 -0.518 0.000) 0.518 8.886 ( 0.000 0.229 0.000) 0.229 8.893 ( 0.000 -0.076 0.000) 0.076 8.977 ( 0.000 0.441 0.000) 0.441 9.006 ( 0.000 -0.796 0.000) 0.796 9.017 ( 0.000 0.434 0.000) 0.434 9.037 ( 0.000 -0.318 0.000) 0.318 ======================= Grid point 8 (6/30) ======================= q-point: ( 0.17 0.25 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.170 ( 4.729 1.567 -2.610) 5.624 0.197 ( 2.596 0.491 0.372) 2.668 0.240 ( 6.640 6.402 0.078) 9.224 0.332 ( -0.099 0.777 0.357) 0.861 0.341 ( 8.378 7.284 1.853) 11.255 0.354 ( 0.569 0.489 1.647) 1.810 0.500 ( 4.811 -3.506 -2.165) 6.334 0.585 ( 3.322 0.634 1.971) 3.914 0.610 ( 2.179 0.512 4.116) 4.685 0.647 ( 7.898 4.577 5.943) 10.892 0.680 ( 2.959 -0.188 1.094) 3.160 0.687 ( 1.676 -2.272 3.575) 4.555 0.725 ( -2.556 0.997 -1.385) 3.073 0.772 ( -0.583 -2.133 -0.533) 2.275 0.792 ( 2.984 -0.744 -1.063) 3.254 0.796 ( -0.044 -2.755 -1.097) 2.965 0.823 ( 0.869 -2.161 1.888) 2.999 0.840 ( 1.411 0.278 1.569) 2.129 0.851 ( 2.628 0.148 2.310) 3.502 0.877 ( 1.360 0.363 1.465) 2.031 0.911 ( -0.063 -0.291 2.120) 2.140 0.937 ( 1.647 -1.155 2.029) 2.857 0.940 ( -0.159 -0.547 1.086) 1.226 0.955 ( 0.496 0.155 -0.988) 1.116 0.978 ( 0.532 -0.489 -1.209) 1.408 0.990 ( 1.114 0.688 -0.024) 1.309 0.992 ( 2.445 0.431 -0.982) 2.670 1.006 ( 0.712 -1.185 3.025) 3.326 1.024 ( 0.687 -0.922 -0.454) 1.236 1.047 ( 0.905 0.732 0.038) 1.165 1.059 ( -0.708 -2.458 -1.582) 3.007 1.098 ( -2.463 0.043 -0.227) 2.474 1.115 ( -1.576 -0.073 -1.609) 2.253 1.138 ( 0.524 -0.218 -0.255) 0.622 1.151 ( -0.302 1.016 -2.900) 3.088 1.197 ( -1.199 2.510 0.314) 2.799 1.206 ( -1.558 -2.272 -0.424) 2.787 1.220 ( 1.370 -0.746 1.571) 2.214 1.255 ( -1.006 -1.238 1.600) 2.259 1.271 ( 0.134 -2.193 0.728) 2.314 1.298 ( -0.204 -0.811 -2.552) 2.686 1.331 ( -0.065 1.662 -0.237) 1.680 1.360 ( 1.108 -0.114 2.744) 2.961 1.391 ( 0.353 -1.242 2.362) 2.691 1.404 ( -2.731 -1.233 -2.691) 4.027 1.459 ( 0.566 -2.298 -1.048) 2.589 1.490 ( -2.086 0.616 -3.204) 3.873 1.496 ( 1.031 -0.247 -0.988) 1.449 1.535 ( 0.655 1.370 -4.559) 4.805 1.547 ( 1.810 0.030 -0.083) 1.812 1.576 ( 0.866 -0.785 -3.128) 3.339 1.583 ( -2.997 0.355 -3.400) 4.546 1.639 ( -1.591 2.197 -0.350) 2.735 1.647 ( -0.618 1.400 0.282) 1.556 1.703 ( -0.058 1.596 1.536) 2.216 1.730 ( 0.344 0.068 -0.816) 0.888 1.748 ( 1.317 0.736 0.947) 1.781 1.775 ( -0.955 -1.027 -0.006) 1.402 1.879 ( -2.425 0.556 0.062) 2.489 1.901 ( -1.771 -0.285 -0.210) 1.806 1.938 ( -3.527 1.032 -3.838) 5.313 1.952 ( -5.981 -0.173 -5.420) 8.073 2.072 ( -0.539 -0.496 0.883) 1.147 2.083 ( -0.062 -1.697 1.550) 2.300 2.108 ( 0.021 0.070 0.675) 0.679 2.131 ( -0.400 -0.379 -0.293) 0.624 2.236 ( -1.118 0.035 -0.082) 1.121 2.245 ( -1.490 0.200 -1.328) 2.006 2.294 ( 3.017 -1.041 1.393) 3.483 2.314 ( 2.249 -0.975 0.308) 2.471 2.322 ( 0.054 -0.283 -0.344) 0.449 2.342 ( -1.311 -0.121 -1.402) 1.924 2.376 ( -0.593 0.438 0.924) 1.182 2.400 ( -0.075 -0.420 0.734) 0.849 2.422 ( 1.775 0.308 2.524) 3.101 2.443 ( 1.085 -0.833 0.680) 1.527 2.500 ( 2.094 0.816 1.833) 2.900 2.515 ( 0.042 0.306 -0.818) 0.874 2.527 ( 1.383 1.512 1.647) 2.629 2.557 ( 1.700 1.290 3.019) 3.697 2.579 ( -0.345 0.008 -0.893) 0.958 2.627 ( 0.416 -1.729 0.794) 1.947 2.655 ( 1.004 -1.949 2.774) 3.536 2.675 ( -0.357 -1.723 0.299) 1.785 2.732 ( 0.233 0.778 0.618) 1.021 2.742 ( -0.986 0.567 0.911) 1.457 2.784 ( -1.989 -0.801 -1.061) 2.392 2.795 ( -1.266 -0.907 -1.210) 1.972 2.817 ( 1.494 -0.135 1.839) 2.373 2.839 ( 0.243 -0.200 1.577) 1.608 2.867 ( 0.455 -0.494 1.976) 2.087 2.873 ( 0.014 -0.100 1.580) 1.583 2.922 ( -1.367 0.235 -1.907) 2.358 2.945 ( -1.211 -0.525 -1.562) 2.045 2.952 ( -0.619 0.253 -2.571) 2.657 2.957 ( -1.859 0.065 -2.034) 2.756 3.009 ( 1.032 -1.161 0.447) 1.617 3.019 ( 0.539 -0.242 0.289) 0.657 3.062 ( 2.212 0.707 2.678) 3.545 3.076 ( 2.322 0.133 2.558) 3.457 3.106 ( -0.951 1.133 -1.308) 1.975 3.138 ( -0.832 0.019 -1.497) 1.713 3.189 ( -0.429 0.817 0.101) 0.928 3.220 ( 1.103 0.031 1.184) 1.619 3.250 ( -0.968 0.941 -1.058) 1.715 3.279 ( -1.057 -0.095 -0.925) 1.407 3.299 ( -1.094 0.324 -0.357) 1.195 3.322 ( -0.426 0.553 -0.415) 0.812 3.342 ( -0.303 0.705 -1.136) 1.371 3.356 ( 0.752 -0.179 1.848) 2.003 3.362 ( -0.451 -1.069 -1.749) 2.099 3.375 ( -2.115 -0.811 -1.902) 2.958 3.457 ( 0.764 0.158 0.843) 1.149 3.502 ( -0.929 -0.503 -1.211) 1.607 3.510 ( 1.417 -0.339 2.057) 2.521 3.521 ( 0.739 -0.483 1.363) 1.624 3.694 ( 0.605 0.497 2.165) 2.303 3.722 ( -1.178 -0.732 0.300) 1.419 3.745 ( -0.346 1.377 0.559) 1.526 3.783 ( -1.910 0.153 -1.389) 2.367 3.796 ( 0.713 -0.348 0.347) 0.866 3.813 ( -0.020 -0.612 -0.027) 0.613 3.844 ( 0.041 0.913 0.868) 1.260 3.861 ( -0.742 0.053 -0.759) 1.063 4.144 ( 0.056 0.352 0.156) 0.389 4.149 ( -0.436 0.133 -0.858) 0.972 4.155 ( -0.120 0.119 0.515) 0.542 4.159 ( -0.492 0.012 -0.469) 0.680 4.306 ( -0.235 0.286 0.036) 0.372 4.319 ( -0.246 -0.091 0.246) 0.359 4.322 ( -0.134 -0.140 -0.168) 0.257 4.329 ( -0.082 -0.144 0.208) 0.266 4.405 ( 0.362 1.080 0.441) 1.221 4.425 ( -1.137 0.836 -1.308) 1.925 4.452 ( 0.368 -0.853 0.271) 0.968 4.462 ( -0.647 -0.599 -1.162) 1.458 4.590 ( 1.344 -0.755 1.897) 2.444 4.597 ( 1.739 -0.921 1.724) 2.616 4.651 ( -0.823 0.976 -0.897) 1.560 4.666 ( -0.936 0.364 -1.072) 1.469 4.829 ( 0.082 0.214 0.121) 0.259 4.847 ( 0.572 -0.510 0.021) 0.767 4.873 ( -0.667 0.114 -1.120) 1.308 4.882 ( -0.684 -0.000 -1.570) 1.713 5.042 ( -1.094 -0.078 0.719) 1.312 5.046 ( -1.277 -0.202 0.269) 1.320 5.054 ( -1.736 0.130 -0.152) 1.747 5.057 ( -2.003 -0.058 -0.728) 2.132 5.166 ( 0.568 0.069 0.164) 0.595 5.175 ( 0.608 -0.220 0.111) 0.656 5.176 ( 0.643 0.174 0.245) 0.710 5.183 ( 0.570 -0.022 -0.129) 0.585 5.220 ( 1.884 0.088 0.442) 1.937 5.228 ( 1.873 -0.376 0.697) 2.034 5.254 ( 1.460 0.707 0.024) 1.623 5.272 ( 1.348 -0.246 -0.137) 1.378 5.399 ( 0.053 0.213 1.051) 1.074 5.404 ( -0.035 -0.207 1.959) 1.970 5.432 ( -1.373 0.121 -0.699) 1.545 5.444 ( -1.384 -0.447 -0.310) 1.487 5.521 ( 0.598 0.928 1.124) 1.575 5.555 ( -0.889 -0.034 -1.138) 1.445 5.609 ( 0.102 -0.192 0.320) 0.386 5.629 ( 0.932 -0.266 1.095) 1.462 5.660 ( 1.541 0.142 2.773) 3.175 5.685 ( -0.257 -1.068 0.416) 1.175 5.719 ( -1.754 0.132 -1.634) 2.400 5.731 ( -1.679 -0.391 -1.653) 2.388 5.857 ( 0.115 0.356 0.087) 0.384 5.869 ( 0.122 -0.195 -0.021) 0.231 5.881 ( 0.185 0.336 -0.159) 0.415 5.887 ( 0.180 0.147 0.110) 0.257 6.064 ( 1.054 -0.027 1.275) 1.655 6.078 ( 0.439 -0.503 1.176) 1.352 6.086 ( -0.620 0.001 -0.597) 0.860 6.089 ( -0.900 -0.076 -0.768) 1.186 6.107 ( 0.057 -0.153 0.298) 0.340 6.118 ( 0.250 -0.622 0.156) 0.688 6.128 ( -0.137 0.515 -0.136) 0.550 6.137 ( 0.135 0.097 0.029) 0.169 6.399 ( -0.168 1.165 -0.037) 1.178 6.408 ( -0.096 0.758 0.040) 0.765 6.630 ( 1.020 0.496 2.288) 2.554 6.670 ( -2.133 -0.767 -1.795) 2.892 6.757 ( -0.216 -0.090 0.171) 0.290 6.771 ( -1.071 -0.231 -0.731) 1.317 6.856 ( 1.835 0.506 1.907) 2.694 6.882 ( -0.453 -0.621 -0.979) 1.244 7.221 ( 1.035 0.290 0.260) 1.106 7.251 ( 0.853 -0.536 -0.679) 1.214 7.268 ( -0.097 -1.202 0.235) 1.228 7.285 ( 0.427 -0.944 -0.056) 1.038 7.511 ( -0.063 0.738 0.337) 0.814 7.529 ( -0.695 0.808 -0.447) 1.156 7.544 ( -0.755 -0.624 0.497) 1.098 7.572 ( -1.203 -1.308 0.186) 1.787 7.781 ( -0.060 0.683 0.092) 0.692 7.807 ( -0.480 0.405 -0.682) 0.927 7.840 ( -0.039 -0.404 0.409) 0.576 7.857 ( -0.781 -0.545 -0.871) 1.291 7.968 ( -0.004 1.168 -0.007) 1.168 7.977 ( -0.581 0.663 -0.142) 0.893 7.987 ( -0.742 1.133 -0.303) 1.388 7.992 ( 0.548 0.012 0.584) 0.801 8.023 ( -1.515 -0.585 1.655) 2.319 8.044 ( 0.337 -0.985 0.145) 1.051 8.075 ( -1.064 0.183 0.720) 1.298 8.089 ( -1.198 -0.695 -0.150) 1.394 8.820 ( 0.603 0.394 0.364) 0.807 8.844 ( 0.462 -0.489 0.423) 0.795 8.854 ( -1.020 1.499 -0.960) 2.052 8.887 ( -0.304 -0.393 -0.398) 0.636 8.978 ( 0.190 0.502 -0.199) 0.573 9.014 ( 0.464 -0.822 -0.274) 0.983 9.023 ( 0.703 0.008 -0.810) 1.072 9.046 ( 0.678 -0.451 0.153) 0.828 ======================= Grid point 9 (7/30) ======================= q-point: ( 0.33 0.25 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 3.727 2.345 -1.746) 4.737 0.254 ( 2.948 0.796 0.618) 3.116 0.327 ( -0.551 1.027 0.047) 1.166 0.345 ( 0.345 0.036 0.074) 0.355 0.413 ( 7.646 1.314 0.578) 7.779 0.499 ( 5.626 1.685 -0.203) 5.877 0.544 ( 3.633 2.563 0.490) 4.473 0.625 ( 1.558 -2.658 -0.467) 3.116 0.642 ( -0.451 0.132 -3.053) 3.089 0.665 ( -1.484 1.617 -1.786) 2.829 0.715 ( -0.958 -1.301 -1.248) 2.041 0.718 ( 1.002 -0.689 -0.737) 1.421 0.734 ( -0.030 -0.676 -0.783) 1.035 0.760 ( -1.339 -1.367 -0.024) 1.914 0.775 ( -2.653 -3.343 -2.816) 5.113 0.790 ( -2.141 -1.135 -4.102) 4.764 0.804 ( -2.748 -2.527 -2.899) 4.727 0.821 ( -3.015 -0.123 -2.384) 3.846 0.868 ( -0.205 0.407 1.097) 1.187 0.896 ( -1.544 0.558 -0.781) 1.818 0.923 ( -1.568 -2.036 0.093) 2.572 0.935 ( 1.473 0.089 0.060) 1.477 0.951 ( 0.619 -1.083 -0.213) 1.265 0.970 ( -0.981 -1.434 -1.283) 2.160 0.981 ( -1.155 -1.179 -0.841) 1.852 0.990 ( 1.006 1.001 1.346) 1.957 1.018 ( 0.671 -0.398 -0.764) 1.092 1.023 ( 0.647 -0.577 -0.342) 0.932 1.060 ( 1.120 -1.865 0.112) 2.178 1.063 ( 3.111 -1.518 -0.470) 3.493 1.083 ( 0.444 0.614 2.838) 2.938 1.104 ( 2.219 -0.007 1.023) 2.443 1.115 ( 3.112 0.051 0.919) 3.245 1.141 ( 2.129 -0.608 -0.856) 2.374 1.164 ( -0.579 -0.893 -0.636) 1.240 1.176 ( 2.160 -0.666 3.344) 4.036 1.196 ( 0.164 2.148 0.947) 2.353 1.217 ( -1.847 1.282 -2.248) 3.180 1.241 ( -1.318 -0.280 -1.110) 1.746 1.249 ( -0.834 -1.258 0.183) 1.520 1.290 ( 0.324 2.378 -1.102) 2.641 1.323 ( 1.769 1.770 0.364) 2.528 1.360 ( -2.395 0.424 -0.347) 2.457 1.404 ( 0.393 0.115 0.404) 0.575 1.426 ( 0.461 -0.215 3.336) 3.374 1.446 ( 1.218 -0.712 2.154) 2.575 1.473 ( 1.247 0.821 0.762) 1.676 1.520 ( 1.039 0.122 -0.453) 1.140 1.534 ( 1.199 -0.175 -0.988) 1.563 1.547 ( 2.414 0.070 0.296) 2.433 1.581 ( 3.045 -1.558 -0.050) 3.421 1.596 ( 1.733 -1.514 0.149) 2.306 1.655 ( 1.045 2.263 0.711) 2.592 1.666 ( -2.997 1.846 -0.307) 3.533 1.683 ( 1.782 1.409 3.251) 3.966 1.712 ( -2.967 -0.381 -2.522) 3.913 1.766 ( 1.423 0.344 3.390) 3.693 1.809 ( 1.084 -0.805 2.353) 2.713 1.844 ( -1.090 0.629 0.210) 1.276 1.852 ( -0.958 -0.579 1.109) 1.576 1.924 ( 2.340 0.976 6.125) 6.629 1.970 ( 2.990 -0.865 6.351) 7.073 2.022 ( -3.858 -0.575 -4.628) 6.053 2.031 ( -3.207 -0.645 -3.127) 4.526 2.101 ( -0.409 0.217 -0.579) 0.741 2.127 ( -0.340 -0.947 0.129) 1.014 2.195 ( -0.948 -0.097 -2.028) 2.241 2.219 ( -0.798 -0.297 -0.960) 1.283 2.266 ( -2.341 -0.164 -2.181) 3.204 2.293 ( -0.497 -0.953 -1.768) 2.069 2.355 ( 0.730 0.558 0.278) 0.960 2.367 ( 1.861 0.142 0.855) 2.053 2.387 ( 0.520 0.396 1.544) 1.676 2.423 ( 0.403 -0.973 2.048) 2.303 2.439 ( -1.194 -0.551 -1.410) 1.928 2.466 ( 0.493 -0.632 0.705) 1.067 2.487 ( -0.306 0.680 -1.725) 1.879 2.520 ( -0.023 -0.698 -0.615) 0.931 2.534 ( -0.624 -0.087 -0.867) 1.072 2.547 ( -1.243 -0.143 -1.699) 2.110 2.576 ( -2.521 1.228 -3.143) 4.212 2.627 ( -1.779 -0.579 -2.312) 2.974 2.678 ( 1.731 0.526 1.113) 2.124 2.691 ( 0.387 1.870 1.345) 2.336 2.717 ( -1.113 0.833 -0.916) 1.665 2.742 ( 0.295 -0.896 2.115) 2.316 2.748 ( -0.321 -0.529 1.556) 1.675 2.781 ( -0.206 -1.749 0.616) 1.866 2.828 ( -1.665 0.701 -2.394) 3.000 2.849 ( -1.086 0.542 -0.019) 1.214 2.865 ( -1.835 0.161 -1.683) 2.495 2.878 ( -0.304 -1.244 -0.175) 1.292 2.915 ( 1.050 -0.335 2.042) 2.320 2.926 ( 0.513 -0.306 0.226) 0.639 2.936 ( 1.742 -0.591 2.082) 2.779 2.949 ( 0.999 -0.661 1.446) 1.878 3.002 ( -0.842 0.313 -1.922) 2.122 3.012 ( -0.469 -0.426 -1.629) 1.747 3.048 ( -2.536 1.030 -2.512) 3.715 3.075 ( -1.094 -0.476 -2.022) 2.348 3.114 ( 1.017 1.885 -0.114) 2.145 3.156 ( 0.683 -0.011 1.663) 1.798 3.211 ( 0.724 0.770 1.890) 2.166 3.217 ( 1.202 0.529 1.311) 1.856 3.247 ( -0.187 -0.087 -0.154) 0.257 3.273 ( -1.940 -0.664 -1.467) 2.521 3.300 ( 1.365 0.607 1.854) 2.381 3.315 ( 1.278 -0.286 1.863) 2.278 3.322 ( -0.615 0.216 -0.662) 0.929 3.339 ( -0.631 -0.409 -1.381) 1.573 3.359 ( 1.120 0.558 1.236) 1.759 3.390 ( 0.734 -0.683 1.750) 2.017 3.461 ( -0.892 1.139 -1.575) 2.138 3.502 ( 1.227 -0.725 1.761) 2.265 3.516 ( -0.551 -0.327 -0.873) 1.083 3.532 ( -1.109 -1.117 -0.253) 1.595 3.705 ( -1.387 -0.316 0.186) 1.435 3.713 ( -0.408 -0.532 1.304) 1.466 3.737 ( -0.998 0.756 -0.501) 1.348 3.752 ( 0.059 0.731 0.702) 1.016 3.793 ( -0.339 -0.395 -1.134) 1.248 3.806 ( -0.429 -0.333 -0.887) 1.040 3.841 ( -0.509 1.106 -0.273) 1.248 3.870 ( 1.093 -0.244 1.295) 1.712 4.131 ( -0.504 0.251 -0.650) 0.860 4.142 ( -0.574 -0.155 -0.683) 0.906 4.153 ( 0.237 0.608 0.528) 0.839 4.163 ( 0.246 0.202 0.673) 0.744 4.305 ( -0.022 0.209 0.312) 0.376 4.317 ( -0.266 -0.252 -0.158) 0.399 4.318 ( -0.142 0.140 0.253) 0.322 4.326 ( -0.328 -0.023 -0.085) 0.340 4.404 ( -0.333 0.731 -0.393) 0.894 4.426 ( 0.958 1.050 1.362) 1.968 4.442 ( -0.447 -0.721 -0.836) 1.191 4.464 ( 0.470 -0.398 0.350) 0.709 4.581 ( -1.461 -0.420 -1.926) 2.454 4.604 ( -0.992 -1.360 -1.643) 2.352 4.664 ( 1.156 0.514 1.690) 2.111 4.670 ( 1.027 0.321 1.337) 1.716 4.832 ( 0.029 0.201 -0.254) 0.326 4.843 ( -0.306 0.121 -0.909) 0.967 4.852 ( -0.568 -0.002 -1.009) 1.158 4.867 ( 0.361 -0.232 -0.194) 0.471 5.002 ( -1.763 0.074 -0.820) 1.946 5.010 ( -1.604 -0.263 -0.763) 1.796 5.038 ( -0.771 0.217 0.762) 1.106 5.048 ( -0.492 -0.192 0.821) 0.976 5.170 ( 0.015 0.239 -0.534) 0.586 5.177 ( -0.126 -0.038 -0.443) 0.462 5.188 ( 0.622 0.192 -0.149) 0.668 5.194 ( 0.638 -0.043 0.039) 0.640 5.264 ( 1.827 0.023 0.988) 2.077 5.271 ( 1.628 -0.360 0.813) 1.855 5.284 ( 1.619 0.281 0.102) 1.646 5.294 ( 1.195 -0.181 -0.157) 1.219 5.402 ( -0.732 0.172 -0.093) 0.757 5.408 ( -0.429 0.282 0.667) 0.841 5.417 ( -0.303 -0.048 0.916) 0.966 5.420 ( -0.983 -0.466 -0.082) 1.091 5.529 ( -0.903 1.054 -0.660) 1.537 5.550 ( 1.094 0.115 1.461) 1.829 5.607 ( -0.468 -0.047 -0.247) 0.531 5.639 ( -0.348 -1.303 -0.135) 1.355 5.674 ( -2.047 -0.103 -1.638) 2.623 5.677 ( -1.256 -0.258 -1.273) 1.807 5.707 ( 1.073 -0.051 1.812) 2.106 5.710 ( 1.165 -0.151 2.077) 2.386 5.860 ( 0.126 0.391 0.040) 0.412 5.872 ( 0.119 -0.167 -0.008) 0.205 5.883 ( 0.189 0.464 -0.148) 0.523 5.888 ( -0.036 0.302 -0.068) 0.312 6.059 ( -0.803 0.084 -1.115) 1.376 6.066 ( -0.545 -0.248 -0.872) 1.058 6.085 ( 0.159 0.131 0.483) 0.525 6.092 ( 0.207 -0.346 0.382) 0.555 6.105 ( -0.450 0.156 -0.312) 0.569 6.115 ( -0.080 -0.456 -0.178) 0.496 6.137 ( 0.510 0.386 0.638) 0.903 6.145 ( 0.344 -0.158 0.441) 0.581 6.396 ( -0.130 1.072 -0.011) 1.079 6.406 ( -0.160 0.803 0.010) 0.819 6.615 ( -1.656 0.998 -1.669) 2.554 6.674 ( 1.016 -1.187 2.497) 2.946 6.748 ( -0.401 -0.038 -0.050) 0.406 6.765 ( -0.008 -0.471 0.668) 0.818 6.857 ( -0.802 0.935 -1.491) 1.934 6.897 ( 1.071 -0.732 1.065) 1.678 7.236 ( 0.305 -0.089 -0.302) 0.439 7.255 ( 0.265 0.662 0.047) 0.714 7.268 ( 0.501 -1.158 -0.465) 1.345 7.288 ( 0.302 -0.808 -0.303) 0.914 7.512 ( -0.484 0.473 -0.260) 0.725 7.515 ( 0.088 0.375 0.203) 0.435 7.534 ( -0.831 -0.448 0.554) 1.094 7.541 ( -1.748 -0.790 -0.311) 1.944 7.781 ( -0.016 0.148 -0.023) 0.151 7.793 ( -0.635 -0.016 -0.289) 0.698 7.832 ( -0.522 0.062 -0.648) 0.834 7.849 ( -0.068 -0.547 0.471) 0.725 7.957 ( -0.815 0.804 -0.130) 1.152 7.970 ( -0.821 0.653 -0.240) 1.076 7.979 ( 0.708 1.388 -0.055) 1.559 8.008 ( 0.529 -0.401 0.439) 0.796 8.012 ( -1.191 -0.636 1.251) 1.841 8.048 ( -0.478 -0.833 -0.359) 1.026 8.060 ( -0.752 0.037 0.278) 0.803 8.069 ( -0.338 -0.173 0.068) 0.386 8.832 ( 0.178 0.695 0.229) 0.753 8.837 ( -0.096 0.753 -0.232) 0.794 8.861 ( 0.613 -0.487 0.457) 0.907 8.879 ( -0.196 -0.694 -0.225) 0.756 8.979 ( 0.134 0.520 -0.191) 0.570 9.014 ( 0.114 -0.933 -0.762) 1.211 9.028 ( 0.345 0.677 0.099) 0.767 9.060 ( 0.550 -0.649 0.415) 0.946 ======================= Grid point 10 (8/30) ======================= q-point: (-0.50 0.25 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 3.202 -0.000) 3.202 0.293 ( 0.000 0.646 0.000) 0.646 0.318 ( 0.000 0.694 -0.000) 0.694 0.328 ( -0.000 0.486 -0.000) 0.486 0.497 ( 0.000 -1.011 -0.000) 1.011 0.509 ( 0.000 2.213 0.000) 2.213 0.559 ( -0.000 -0.041 0.000) 0.041 0.564 ( 0.000 -1.141 -0.000) 1.141 0.617 ( 0.000 1.876 0.000) 1.876 0.656 ( 0.000 -1.213 0.000) 1.213 0.671 ( 0.000 -3.330 -0.000) 3.330 0.711 ( 0.000 -0.119 0.000) 0.119 0.734 ( 0.000 -0.678 0.000) 0.678 0.749 ( 0.000 0.425 -0.000) 0.425 0.751 ( 0.000 -1.224 0.000) 1.224 0.764 ( 0.000 0.915 -0.000) 0.915 0.786 ( 0.000 -3.501 -0.000) 3.501 0.801 ( 0.000 0.049 0.000) 0.049 0.864 ( 0.000 0.967 -0.000) 0.967 0.868 ( -0.000 -0.506 0.000) 0.506 0.910 ( 0.000 -2.219 0.000) 2.219 0.938 ( 0.000 -0.755 -0.000) 0.755 0.941 ( 0.000 -3.188 0.000) 3.188 0.961 ( 0.000 -1.559 -0.000) 1.559 0.978 ( 0.000 -3.057 -0.000) 3.057 0.986 ( 0.000 -1.827 0.000) 1.827 1.010 ( 0.000 1.603 0.000) 1.603 1.050 ( 0.000 -0.416 -0.000) 0.416 1.067 ( 0.000 -1.074 0.000) 1.074 1.080 ( 0.000 -1.855 0.000) 1.855 1.101 ( 0.000 -0.488 -0.000) 0.488 1.132 ( 0.000 0.221 0.000) 0.221 1.133 ( 0.000 0.766 -0.000) 0.766 1.171 ( 0.000 -0.029 0.000) 0.029 1.181 ( 0.000 0.949 -0.000) 0.949 1.192 ( 0.000 1.169 0.000) 1.169 1.205 ( 0.000 1.404 -0.000) 1.404 1.209 ( -0.000 0.192 -0.000) 0.192 1.221 ( 0.000 -1.830 0.000) 1.830 1.233 ( 0.000 -0.369 -0.000) 0.369 1.287 ( 0.000 1.790 -0.000) 1.790 1.309 ( 0.000 0.536 0.000) 0.536 1.369 ( 0.000 4.781 0.000) 4.781 1.405 ( 0.000 0.280 -0.000) 0.280 1.456 ( 0.000 0.119 0.000) 0.119 1.477 ( 0.000 -0.688 -0.000) 0.688 1.502 ( -1.097 -1.344 -1.956) 2.614 1.502 ( 1.097 -1.265 1.955) 2.574 1.555 ( 0.000 0.651 0.000) 0.651 1.569 ( 0.000 -2.222 -0.000) 2.222 1.609 ( 0.000 1.106 -0.000) 1.106 1.625 ( 0.000 -0.692 -0.000) 0.692 1.642 ( 0.000 1.512 0.000) 1.512 1.652 ( -0.000 0.972 0.000) 0.972 1.684 ( 0.000 1.523 -0.000) 1.523 1.739 ( 0.000 0.847 0.000) 0.847 1.796 ( -0.000 0.655 0.000) 0.655 1.817 ( 0.000 -0.807 -0.000) 0.807 1.873 ( 0.000 0.596 0.000) 0.596 1.894 ( 0.000 -0.195 0.000) 0.195 1.915 ( 0.000 -0.427 -0.000) 0.427 1.951 ( 0.000 -1.360 -0.000) 1.360 2.034 ( 0.000 1.359 0.000) 1.359 2.059 ( 0.000 -0.101 0.000) 0.101 2.106 ( -0.000 -0.134 0.000) 0.134 2.106 ( 0.000 -0.526 0.000) 0.526 2.204 ( 0.000 -0.451 0.000) 0.451 2.211 ( -0.000 -0.100 -0.000) 0.100 2.232 ( 0.000 -0.049 -0.000) 0.049 2.274 ( 0.000 -1.775 0.000) 1.775 2.337 ( 0.000 1.093 0.000) 1.093 2.343 ( 0.000 1.110 0.000) 1.110 2.394 ( 0.000 0.091 0.000) 0.091 2.409 ( 0.000 -1.392 0.000) 1.392 2.437 ( 0.000 -1.362 -0.000) 1.362 2.438 ( -0.000 -0.844 0.000) 0.844 2.476 ( 0.000 1.047 -0.000) 1.047 2.511 ( 0.000 -0.701 0.000) 0.701 2.524 ( 0.000 -0.693 0.000) 0.693 2.533 ( 0.000 -0.998 -0.000) 0.998 2.550 ( 0.000 1.449 0.000) 1.449 2.596 ( 0.000 -0.561 0.000) 0.561 2.669 ( 0.000 1.668 0.000) 1.668 2.698 ( 0.000 2.433 0.000) 2.433 2.728 ( 0.000 1.152 0.000) 1.152 2.756 ( 0.000 -0.587 0.000) 0.587 2.768 ( 0.000 -0.484 0.000) 0.484 2.795 ( 0.000 -2.388 0.000) 2.388 2.800 ( 0.000 0.820 -0.000) 0.820 2.828 ( 0.000 -0.137 -0.000) 0.137 2.839 ( 0.000 -0.011 0.000) 0.011 2.864 ( 0.000 -1.506 -0.000) 1.506 2.932 ( 0.000 0.281 0.000) 0.281 2.946 ( 0.000 -0.669 -0.000) 0.669 2.955 ( 0.000 -0.503 0.000) 0.503 2.978 ( -0.000 0.470 -0.000) 0.470 2.981 ( 0.000 0.322 0.000) 0.322 2.997 ( 0.000 -0.019 -0.000) 0.019 3.032 ( -0.000 -0.956 -0.000) 0.956 3.034 ( 0.000 0.816 0.000) 0.816 3.120 ( 0.000 2.225 -0.000) 2.225 3.155 ( 0.000 0.141 0.000) 0.141 3.214 ( 0.000 1.639 0.000) 1.639 3.241 ( 0.000 -0.423 -0.000) 0.423 3.259 ( -0.000 -0.369 0.000) 0.369 3.259 ( 0.000 -1.123 -0.000) 1.123 3.317 ( -0.000 -0.250 -0.000) 0.250 3.317 ( 0.000 -0.162 0.000) 0.162 3.326 ( 0.000 0.175 0.000) 0.175 3.354 ( 0.000 -0.347 0.000) 0.347 3.382 ( 0.000 0.948 0.000) 0.948 3.434 ( -0.000 -1.723 -0.000) 1.723 3.437 ( 0.000 1.196 0.000) 1.196 3.477 ( 0.000 1.469 -0.000) 1.469 3.492 ( 0.000 -0.998 0.000) 0.998 3.542 ( 0.000 -1.439 0.000) 1.439 3.684 ( 0.000 0.955 0.000) 0.955 3.723 ( 0.000 -0.612 0.000) 0.612 3.732 ( 0.000 -0.191 0.000) 0.191 3.749 ( 0.000 -0.719 0.000) 0.719 3.789 ( -0.000 0.029 -0.000) 0.029 3.789 ( 0.000 0.199 0.000) 0.199 3.837 ( 0.000 1.828 0.000) 1.828 3.889 ( 0.000 -0.657 -0.000) 0.657 4.122 ( 0.000 0.381 0.000) 0.381 4.132 ( 0.000 -0.206 0.000) 0.206 4.159 ( 0.000 0.711 0.000) 0.711 4.169 ( 0.000 0.135 -0.000) 0.135 4.310 ( 0.000 0.041 0.000) 0.041 4.311 ( 0.000 -0.026 -0.000) 0.026 4.319 ( 0.000 0.181 0.000) 0.181 4.321 ( 0.000 0.191 0.000) 0.191 4.400 ( 0.000 0.525 0.000) 0.525 4.433 ( 0.000 -0.709 0.000) 0.709 4.453 ( 0.000 0.740 0.000) 0.740 4.465 ( 0.000 0.469 0.000) 0.469 4.555 ( 0.000 -0.597 0.000) 0.597 4.578 ( 0.000 -1.428 -0.000) 1.428 4.686 ( 0.000 0.209 0.000) 0.209 4.687 ( 0.000 0.115 -0.000) 0.115 4.824 ( 0.000 0.148 -0.000) 0.148 4.838 ( 0.000 -0.344 0.000) 0.344 4.846 ( 0.000 0.780 0.000) 0.780 4.871 ( 0.000 -0.322 0.000) 0.322 4.981 ( 0.000 0.095 -0.000) 0.095 4.991 ( 0.000 -0.356 0.000) 0.356 5.035 ( 0.000 0.321 -0.000) 0.321 5.047 ( 0.000 -0.207 0.000) 0.207 5.165 ( 0.000 0.243 0.000) 0.243 5.172 ( 0.000 -0.052 0.000) 0.052 5.193 ( 0.000 0.214 0.000) 0.214 5.200 ( 0.000 -0.079 0.000) 0.079 5.286 ( 0.000 -0.091 0.000) 0.091 5.288 ( 0.000 -0.153 0.000) 0.153 5.303 ( 0.000 -0.094 -0.000) 0.094 5.306 ( 0.000 -0.080 0.000) 0.080 5.394 ( 0.000 0.265 0.000) 0.265 5.409 ( 0.000 -0.385 0.000) 0.385 5.411 ( 0.000 0.253 -0.000) 0.253 5.416 ( 0.000 0.029 -0.000) 0.029 5.517 ( 0.000 1.536 0.000) 1.536 5.572 ( 0.000 -0.618 0.000) 0.618 5.604 ( 0.000 -0.071 -0.000) 0.071 5.618 ( 0.000 -0.743 0.000) 0.743 5.647 ( 0.000 -0.026 0.000) 0.026 5.664 ( 0.000 -0.552 0.000) 0.552 5.729 ( 0.000 -0.130 -0.000) 0.130 5.731 ( 0.000 -0.148 -0.000) 0.148 5.862 ( 0.000 0.426 0.000) 0.426 5.872 ( 0.000 -0.097 0.000) 0.097 5.885 ( 0.000 0.511 0.000) 0.511 5.887 ( 0.000 0.319 0.000) 0.319 6.046 ( 0.000 0.170 0.000) 0.170 6.056 ( 0.000 -0.281 0.000) 0.281 6.087 ( 0.000 0.273 0.000) 0.273 6.095 ( 0.000 0.109 -0.000) 0.109 6.101 ( 0.000 -0.254 0.000) 0.254 6.111 ( 0.000 -0.727 -0.000) 0.727 6.148 ( 0.000 0.098 0.000) 0.098 6.149 ( -0.000 0.217 -0.000) 0.217 6.395 ( 0.000 1.005 0.000) 1.005 6.404 ( 0.000 0.817 0.000) 0.817 6.591 ( 0.000 1.442 -0.000) 1.442 6.695 ( 0.000 -3.122 0.000) 3.122 6.759 ( 0.000 0.137 0.000) 0.137 6.759 ( -0.000 0.292 -0.000) 0.292 6.839 ( 0.000 2.049 0.000) 2.049 6.911 ( 0.000 -1.167 -0.000) 1.167 7.233 ( 0.000 0.549 0.000) 0.549 7.264 ( 0.000 -0.383 0.000) 0.383 7.270 ( 0.000 -0.025 -0.000) 0.025 7.289 ( 0.000 -1.136 -0.000) 1.136 7.508 ( 0.000 0.146 0.000) 0.146 7.519 ( 0.000 -0.090 0.000) 0.090 7.521 ( 0.000 -0.215 0.000) 0.215 7.528 ( 0.000 -0.262 -0.000) 0.262 7.781 ( 0.000 -0.150 0.000) 0.150 7.784 ( 0.000 -0.206 0.000) 0.206 7.824 ( 0.000 0.535 0.000) 0.535 7.851 ( 0.000 -0.642 -0.000) 0.642 7.948 ( 0.000 0.717 -0.000) 0.717 7.959 ( 0.000 0.696 0.000) 0.696 7.994 ( 0.000 0.525 0.000) 0.525 8.000 ( 0.000 0.629 0.000) 0.629 8.016 ( 0.000 -0.633 0.000) 0.633 8.041 ( 0.000 -0.981 0.000) 0.981 8.051 ( 0.000 0.289 0.000) 0.289 8.072 ( 0.000 -0.458 -0.000) 0.458 8.831 ( 0.000 0.856 0.000) 0.856 8.838 ( 0.000 0.436 0.000) 0.436 8.870 ( 0.000 -0.552 -0.000) 0.552 8.876 ( 0.000 -0.698 0.000) 0.698 8.979 ( 0.000 0.500 0.000) 0.500 9.010 ( 0.000 -0.748 0.000) 0.748 9.033 ( 0.000 0.746 0.000) 0.746 9.068 ( 0.000 -0.767 -0.000) 0.767 ======================= Grid point 14 (9/30) ======================= q-point: ( 0.00 -0.50 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.155 ( 0.000 -1.044 0.000) 1.044 0.155 ( 0.000 1.044 0.000) 1.044 0.302 ( 0.000 -4.750 0.000) 4.750 0.302 ( 0.000 4.750 0.000) 4.750 0.366 ( 0.000 -2.762 0.000) 2.762 0.366 ( 0.000 2.762 0.000) 2.762 0.464 ( 0.000 -9.693 0.000) 9.693 0.464 ( 0.000 9.693 0.000) 9.693 0.574 ( 0.000 -1.655 0.000) 1.655 0.574 ( 0.000 1.655 0.000) 1.655 0.686 ( 0.000 -8.857 0.000) 8.857 0.686 ( 0.000 8.857 0.000) 8.857 0.740 ( 0.000 -1.908 0.000) 1.908 0.740 ( 0.000 1.908 0.000) 1.908 0.749 ( 0.000 -0.692 0.000) 0.692 0.749 ( 0.000 0.692 0.000) 0.692 0.795 ( 0.000 -0.079 0.000) 0.079 0.795 ( 0.000 0.079 0.000) 0.079 0.859 ( 0.000 -1.847 0.000) 1.847 0.859 ( 0.000 1.847 0.000) 1.847 0.878 ( 0.000 -2.768 0.000) 2.768 0.878 ( 0.000 2.768 0.000) 2.768 0.929 ( 0.000 -0.702 0.000) 0.702 0.929 ( 0.000 0.702 0.000) 0.702 0.983 ( 0.000 -0.478 0.000) 0.478 0.983 ( 0.000 0.478 0.000) 0.478 0.992 ( 0.000 -0.459 0.000) 0.459 0.992 ( 0.000 0.459 0.000) 0.459 1.026 ( 0.000 -0.031 0.000) 0.031 1.026 ( 0.000 0.031 0.000) 0.031 1.076 ( 0.000 -2.469 0.000) 2.469 1.076 ( 0.000 2.469 0.000) 2.469 1.154 ( 0.000 -0.832 0.000) 0.832 1.154 ( 0.000 0.832 0.000) 0.832 1.162 ( 0.000 -2.126 0.000) 2.126 1.162 ( 0.000 2.126 0.000) 2.126 1.192 ( 0.000 -0.872 0.000) 0.872 1.192 ( 0.000 0.872 0.000) 0.872 1.243 ( 0.000 -0.531 0.000) 0.531 1.243 ( 0.000 0.531 0.000) 0.531 1.305 ( 0.000 -0.648 0.000) 0.648 1.305 ( 0.000 0.648 0.000) 0.648 1.348 ( 0.000 -0.095 0.000) 0.095 1.348 ( 0.000 0.095 0.000) 0.095 1.454 ( 0.000 -1.018 0.000) 1.018 1.454 ( 0.000 1.018 0.000) 1.018 1.493 ( 0.000 -0.360 0.000) 0.360 1.493 ( 0.000 0.360 0.000) 0.360 1.538 ( 0.000 -1.541 0.000) 1.541 1.538 ( 0.000 1.541 0.000) 1.541 1.608 ( 0.000 -1.251 0.000) 1.251 1.608 ( 0.000 1.251 0.000) 1.251 1.661 ( 0.000 -1.166 0.000) 1.166 1.661 ( 0.000 1.166 0.000) 1.166 1.757 ( 0.000 -1.362 0.000) 1.362 1.757 ( 0.000 1.362 0.000) 1.362 1.794 ( 0.000 -1.237 0.000) 1.237 1.794 ( 0.000 1.237 0.000) 1.237 1.925 ( 0.000 -0.079 0.000) 0.079 1.925 ( 0.000 0.079 0.000) 0.079 2.064 ( 0.000 -0.369 0.000) 0.369 2.064 ( 0.000 0.369 0.000) 0.369 2.083 ( 0.000 -0.753 0.000) 0.753 2.083 ( 0.000 0.753 0.000) 0.753 2.106 ( 0.000 -1.855 0.000) 1.855 2.106 ( 0.000 1.855 0.000) 1.855 2.243 ( 0.000 -1.306 0.000) 1.306 2.243 ( 0.000 1.306 0.000) 1.306 2.262 ( 0.000 -1.154 0.000) 1.154 2.262 ( 0.000 1.154 0.000) 1.154 2.300 ( 0.000 -0.031 0.000) 0.031 2.300 ( 0.000 0.031 0.000) 0.031 2.370 ( 0.000 -0.409 0.000) 0.409 2.370 ( 0.000 0.409 0.000) 0.409 2.414 ( 0.000 -0.484 0.000) 0.484 2.414 ( 0.000 0.484 0.000) 0.484 2.448 ( 0.000 -0.181 0.000) 0.181 2.448 ( 0.000 0.181 0.000) 0.181 2.563 ( 0.000 -1.594 0.000) 1.594 2.563 ( 0.000 1.594 0.000) 1.594 2.589 ( 0.000 -1.497 0.000) 1.497 2.589 ( 0.000 1.497 0.000) 1.497 2.643 ( 0.000 -0.698 0.000) 0.698 2.643 ( 0.000 0.698 0.000) 0.698 2.736 ( 0.000 -1.569 0.000) 1.569 2.736 ( 0.000 1.569 0.000) 1.569 2.801 ( 0.000 -0.026 0.000) 0.026 2.801 ( 0.000 0.026 0.000) 0.026 2.811 ( 0.000 -0.295 0.000) 0.295 2.811 ( 0.000 0.295 0.000) 0.295 2.860 ( 0.000 -0.469 0.000) 0.469 2.860 ( 0.000 0.469 0.000) 0.469 2.954 ( 0.000 -0.459 0.000) 0.459 2.954 ( 0.000 0.459 0.000) 0.459 2.979 ( 0.000 -0.297 0.000) 0.297 2.979 ( 0.000 0.297 0.000) 0.297 3.006 ( 0.000 -0.481 0.000) 0.481 3.006 ( 0.000 0.481 0.000) 0.481 3.025 ( 0.000 -0.032 0.000) 0.032 3.025 ( 0.000 0.032 0.000) 0.032 3.140 ( 0.000 -0.554 0.000) 0.554 3.140 ( 0.000 0.554 0.000) 0.554 3.200 ( 0.000 -0.497 0.000) 0.497 3.200 ( 0.000 0.497 0.000) 0.497 3.282 ( 0.000 -0.731 0.000) 0.731 3.282 ( 0.000 0.731 0.000) 0.731 3.337 ( 0.000 -0.138 0.000) 0.138 3.337 ( 0.000 0.138 0.000) 0.138 3.346 ( 0.000 -0.267 0.000) 0.267 3.346 ( 0.000 0.267 0.000) 0.267 3.390 ( 0.000 -1.200 0.000) 1.200 3.390 ( 0.000 1.200 0.000) 1.200 3.470 ( 0.000 -0.834 0.000) 0.834 3.470 ( 0.000 0.834 0.000) 0.834 3.497 ( 0.000 -2.229 0.000) 2.229 3.497 ( 0.000 2.229 0.000) 2.229 3.705 ( 0.000 -1.826 0.000) 1.826 3.705 ( 0.000 1.826 0.000) 1.826 3.771 ( 0.000 -0.231 0.000) 0.231 3.771 ( 0.000 0.231 0.000) 0.231 3.802 ( 0.000 -0.478 0.000) 0.478 3.802 ( 0.000 0.478 0.000) 0.478 3.866 ( 0.000 -0.642 0.000) 0.642 3.866 ( 0.000 0.642 0.000) 0.642 4.148 ( 0.000 -0.246 0.000) 0.246 4.148 ( 0.000 0.246 0.000) 0.246 4.164 ( 0.000 -0.112 0.000) 0.112 4.164 ( 0.000 0.112 0.000) 0.112 4.316 ( 0.000 -0.365 0.000) 0.365 4.316 ( 0.000 0.365 0.000) 0.365 4.325 ( 0.000 -0.071 0.000) 0.071 4.325 ( 0.000 0.071 0.000) 0.071 4.424 ( 0.000 -1.334 0.000) 1.334 4.424 ( 0.000 1.334 0.000) 1.334 4.467 ( 0.000 -0.730 0.000) 0.730 4.467 ( 0.000 0.730 0.000) 0.730 4.551 ( 0.000 -0.086 0.000) 0.086 4.551 ( 0.000 0.086 0.000) 0.086 4.680 ( 0.000 -0.513 0.000) 0.513 4.680 ( 0.000 0.513 0.000) 0.513 4.832 ( 0.000 -0.359 0.000) 0.359 4.832 ( 0.000 0.359 0.000) 0.359 4.894 ( 0.000 -0.548 0.000) 0.548 4.894 ( 0.000 0.548 0.000) 0.548 5.049 ( 0.000 -0.083 0.000) 0.083 5.049 ( 0.000 0.083 0.000) 0.083 5.083 ( 0.000 -0.062 0.000) 0.062 5.083 ( 0.000 0.062 0.000) 0.062 5.161 ( 0.000 -0.069 0.000) 0.069 5.161 ( 0.000 0.069 0.000) 0.069 5.171 ( 0.000 -0.130 0.000) 0.130 5.171 ( 0.000 0.130 0.000) 0.130 5.203 ( 0.000 -0.138 0.000) 0.138 5.203 ( 0.000 0.138 0.000) 0.138 5.250 ( 0.000 -0.418 0.000) 0.418 5.250 ( 0.000 0.418 0.000) 0.418 5.392 ( 0.000 -0.092 0.000) 0.092 5.392 ( 0.000 0.092 0.000) 0.092 5.456 ( 0.000 -0.357 0.000) 0.357 5.456 ( 0.000 0.357 0.000) 0.357 5.540 ( 0.000 -1.781 0.000) 1.781 5.540 ( 0.000 1.781 0.000) 1.781 5.609 ( 0.000 -0.194 0.000) 0.194 5.609 ( 0.000 0.194 0.000) 0.194 5.655 ( 0.000 -1.832 0.000) 1.832 5.655 ( 0.000 1.832 0.000) 1.832 5.750 ( 0.000 -0.201 0.000) 0.201 5.750 ( 0.000 0.201 0.000) 0.201 5.864 ( 0.000 -0.418 0.000) 0.418 5.864 ( 0.000 0.418 0.000) 0.418 5.884 ( 0.000 -0.202 0.000) 0.202 5.884 ( 0.000 0.202 0.000) 0.202 6.045 ( 0.000 -0.252 0.000) 0.252 6.045 ( 0.000 0.252 0.000) 0.252 6.103 ( 0.000 -0.069 0.000) 0.069 6.103 ( 0.000 0.069 0.000) 0.069 6.105 ( 0.000 -0.299 0.000) 0.299 6.105 ( 0.000 0.299 0.000) 0.299 6.138 ( 0.000 -0.137 0.000) 0.137 6.138 ( 0.000 0.137 0.000) 0.137 6.417 ( 0.000 -0.203 0.000) 0.203 6.417 ( 0.000 0.203 0.000) 0.203 6.644 ( 0.000 -2.610 0.000) 2.610 6.644 ( 0.000 2.610 0.000) 2.610 6.782 ( 0.000 -0.412 0.000) 0.412 6.782 ( 0.000 0.412 0.000) 0.412 6.856 ( 0.000 -2.078 0.000) 2.078 6.856 ( 0.000 2.078 0.000) 2.078 7.224 ( 0.000 -1.159 0.000) 1.159 7.224 ( 0.000 1.159 0.000) 1.159 7.264 ( 0.000 -0.497 0.000) 0.497 7.264 ( 0.000 0.497 0.000) 0.497 7.531 ( 0.000 -1.106 0.000) 1.106 7.531 ( 0.000 1.106 0.000) 1.106 7.558 ( 0.000 -1.119 0.000) 1.119 7.558 ( 0.000 1.119 0.000) 1.119 7.803 ( 0.000 -1.219 0.000) 1.219 7.803 ( 0.000 1.219 0.000) 1.219 7.851 ( 0.000 -1.061 0.000) 1.061 7.851 ( 0.000 1.061 0.000) 1.061 7.980 ( 0.000 -0.086 0.000) 0.086 7.980 ( 0.000 0.086 0.000) 0.086 7.997 ( 0.000 -1.383 0.000) 1.383 7.997 ( 0.000 1.383 0.000) 1.383 8.032 ( 0.000 -0.264 0.000) 0.264 8.032 ( 0.000 0.264 0.000) 0.264 8.083 ( 0.000 -0.813 0.000) 0.813 8.083 ( 0.000 0.813 0.000) 0.813 8.824 ( 0.000 -0.740 0.000) 0.740 8.824 ( 0.000 0.740 0.000) 0.740 8.890 ( 0.000 -0.172 0.000) 0.172 8.890 ( 0.000 0.172 0.000) 0.172 8.990 ( 0.000 -0.845 0.000) 0.845 8.990 ( 0.000 0.845 0.000) 0.845 9.028 ( 0.000 -0.587 0.000) 0.587 9.028 ( 0.000 0.587 0.000) 0.587 ======================= Grid point 16 (10/30) ======================= q-point: ( 0.17 -0.50 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 3.489 -0.789 -0.258) 3.587 0.193 ( 3.489 0.789 -0.258) 3.587 0.338 ( 0.463 -1.027 0.503) 1.234 0.338 ( 0.463 1.027 0.503) 1.234 0.398 ( 4.559 -5.575 -2.031) 7.483 0.398 ( 4.559 5.575 -2.031) 7.483 0.521 ( 3.660 -9.113 5.031) 11.034 0.521 ( 3.660 9.113 5.031) 11.034 0.613 ( 2.224 -2.009 0.489) 3.037 0.613 ( 2.224 2.009 0.489) 3.037 0.725 ( 1.071 -2.715 0.091) 2.920 0.725 ( 1.071 2.715 0.091) 2.920 0.740 ( 0.032 -1.158 0.627) 1.317 0.740 ( 0.032 1.158 0.627) 1.317 0.759 ( -0.394 -2.688 0.946) 2.877 0.759 ( -0.394 2.688 0.946) 2.877 0.812 ( 2.178 -2.295 -0.583) 3.217 0.812 ( 2.178 2.295 -0.583) 3.217 0.886 ( 3.057 -1.293 4.434) 5.538 0.886 ( 3.057 1.293 4.434) 5.538 0.911 ( 0.126 -1.916 0.283) 1.941 0.911 ( 0.126 1.916 0.283) 1.941 0.938 ( 2.339 -0.754 1.972) 3.151 0.938 ( 2.339 0.754 1.972) 3.151 0.983 ( -0.120 -0.844 1.081) 1.377 0.983 ( -0.120 0.844 1.081) 1.377 1.002 ( 2.120 -1.093 -1.763) 2.966 1.002 ( 2.120 1.093 -1.763) 2.966 1.022 ( -1.021 -1.605 -0.284) 1.923 1.022 ( -1.021 1.605 -0.284) 1.923 1.068 ( -0.215 -1.548 -0.229) 1.579 1.068 ( -0.215 1.548 -0.229) 1.579 1.134 ( -1.311 -2.410 -0.746) 2.843 1.134 ( -1.311 2.410 -0.746) 2.843 1.163 ( 0.108 -1.281 -2.719) 3.007 1.163 ( 0.108 1.281 -2.719) 3.007 1.223 ( 0.352 -1.484 0.537) 1.617 1.223 ( 0.352 1.484 0.537) 1.617 1.235 ( 0.338 -0.645 2.948) 3.037 1.235 ( 0.338 0.645 2.948) 3.037 1.314 ( -0.634 -2.152 -0.694) 2.348 1.314 ( -0.634 2.152 -0.694) 2.348 1.368 ( 0.765 -0.940 2.663) 2.926 1.368 ( 0.765 0.940 2.663) 2.926 1.418 ( -0.056 -1.973 -2.124) 2.900 1.418 ( -0.056 1.973 -2.124) 2.900 1.496 ( 0.072 -0.148 -1.568) 1.576 1.496 ( 0.072 0.148 -1.568) 1.576 1.554 ( 0.641 -0.984 -1.976) 2.299 1.554 ( 0.641 0.984 -1.976) 2.299 1.577 ( -0.634 -1.103 -3.509) 3.733 1.577 ( -0.634 1.103 -3.509) 3.733 1.662 ( -1.465 -0.093 0.915) 1.729 1.662 ( -1.465 0.093 0.915) 1.729 1.726 ( -0.007 -0.813 -0.170) 0.830 1.726 ( -0.007 0.813 -0.170) 0.830 1.758 ( -0.708 -0.696 -0.731) 1.232 1.758 ( -0.708 0.696 -0.731) 1.232 1.893 ( -2.138 -0.690 0.058) 2.247 1.893 ( -2.138 0.690 0.058) 2.247 1.949 ( -5.068 -0.351 -5.162) 7.242 1.949 ( -5.068 0.351 -5.162) 7.242 2.065 ( -0.475 -0.124 0.962) 1.080 2.065 ( -0.475 0.124 0.962) 1.080 2.117 ( -0.100 -0.809 -0.253) 0.854 2.117 ( -0.100 0.809 -0.253) 0.854 2.240 ( -0.919 -0.461 0.320) 1.077 2.240 ( -0.919 0.461 0.320) 1.077 2.295 ( 3.024 -0.835 1.243) 3.375 2.295 ( 3.024 0.835 1.243) 3.375 2.330 ( -1.101 -0.875 -2.104) 2.531 2.330 ( -1.101 0.875 -2.104) 2.531 2.387 ( -0.095 -0.842 1.377) 1.617 2.387 ( -0.095 0.842 1.377) 1.617 2.430 ( 1.143 -0.499 1.674) 2.088 2.430 ( 1.143 0.499 1.674) 2.088 2.514 ( 1.548 -0.488 1.136) 1.981 2.514 ( 1.548 0.488 1.136) 1.981 2.558 ( 0.266 -1.375 -0.013) 1.400 2.558 ( 0.266 1.375 -0.013) 1.400 2.593 ( 1.502 -1.735 2.487) 3.384 2.593 ( 1.502 1.735 2.487) 3.384 2.646 ( 0.633 -0.941 0.741) 1.355 2.646 ( 0.633 0.941 0.741) 1.355 2.748 ( -0.587 -0.569 0.206) 0.843 2.748 ( -0.587 0.569 0.206) 0.843 2.776 ( -1.708 -0.573 -0.913) 2.020 2.776 ( -1.708 0.573 -0.913) 2.020 2.825 ( 1.770 -0.921 1.543) 2.522 2.825 ( 1.770 0.921 1.543) 2.522 2.869 ( -0.247 -0.402 1.563) 1.632 2.869 ( -0.247 0.402 1.563) 1.632 2.930 ( -1.340 -0.669 -1.767) 2.316 2.930 ( -1.340 0.669 -1.767) 2.316 2.956 ( -1.267 -0.182 -2.178) 2.527 2.956 ( -1.267 0.182 -2.178) 2.527 3.010 ( 0.542 -0.681 -0.012) 0.870 3.010 ( 0.542 0.681 -0.012) 0.870 3.072 ( 2.319 -0.304 3.035) 3.831 3.072 ( 2.319 0.304 3.035) 3.831 3.129 ( -0.877 -0.920 -1.447) 1.926 3.129 ( -0.877 0.920 -1.447) 1.926 3.209 ( 0.439 -1.082 1.073) 1.586 3.209 ( 0.439 1.082 1.073) 1.586 3.267 ( -0.919 -0.855 -0.562) 1.375 3.267 ( -0.919 0.855 -0.562) 1.375 3.320 ( -1.162 -1.147 -1.512) 2.225 3.320 ( -1.162 1.147 -1.512) 2.225 3.348 ( -0.094 -0.335 -0.110) 0.364 3.348 ( -0.094 0.335 -0.110) 0.364 3.361 ( -0.713 -0.705 -0.665) 1.203 3.361 ( -0.713 0.705 -0.665) 1.203 3.473 ( 0.222 -1.505 0.524) 1.609 3.473 ( 0.222 1.505 0.524) 1.609 3.515 ( 0.667 -0.267 0.490) 0.870 3.515 ( 0.667 0.267 0.490) 0.870 3.706 ( -0.538 -0.763 1.264) 1.571 3.706 ( -0.538 0.763 1.264) 1.571 3.772 ( -0.375 -1.202 -0.146) 1.268 3.772 ( -0.375 1.202 -0.146) 1.268 3.800 ( 0.044 -0.657 -0.275) 0.714 3.800 ( 0.044 0.657 -0.275) 0.714 3.858 ( -0.564 -0.463 0.049) 0.731 3.858 ( -0.564 0.463 0.049) 0.731 4.149 ( 0.094 -0.142 -0.315) 0.358 4.149 ( 0.094 0.142 -0.315) 0.358 4.158 ( -0.458 -0.160 0.044) 0.488 4.158 ( -0.458 0.160 0.044) 0.488 4.313 ( -0.267 -0.400 0.059) 0.485 4.313 ( -0.267 0.400 0.059) 0.485 4.325 ( -0.128 -0.273 0.092) 0.315 4.325 ( -0.128 0.273 0.092) 0.315 4.430 ( 0.426 -1.380 0.392) 1.497 4.430 ( 0.426 1.380 0.392) 1.497 4.445 ( -0.877 -1.112 -1.246) 1.886 4.445 ( -0.877 1.112 -1.246) 1.886 4.584 ( 1.391 -0.244 1.550) 2.097 4.584 ( 1.391 0.244 1.550) 2.097 4.665 ( -0.768 -0.430 -0.748) 1.155 4.665 ( -0.768 0.430 -0.748) 1.155 4.836 ( 0.364 -0.554 0.098) 0.670 4.836 ( 0.364 0.554 0.098) 0.670 4.879 ( -0.665 -0.354 -1.404) 1.593 4.879 ( -0.665 0.354 -1.404) 1.593 5.043 ( -1.248 -0.089 0.505) 1.349 5.043 ( -1.248 0.089 0.505) 1.349 5.055 ( -1.818 -0.081 -0.482) 1.883 5.055 ( -1.818 0.081 -0.482) 1.883 5.170 ( 0.649 -0.270 0.209) 0.733 5.170 ( 0.649 0.270 0.209) 0.733 5.180 ( 0.685 -0.213 0.009) 0.717 5.180 ( 0.685 0.213 0.009) 0.717 5.223 ( 1.799 -0.205 0.605) 1.909 5.223 ( 1.799 0.205 0.605) 1.909 5.265 ( 1.410 -0.459 -0.105) 1.486 5.265 ( 1.410 0.459 -0.105) 1.486 5.402 ( 0.221 -0.115 1.244) 1.269 5.402 ( 0.221 0.115 1.244) 1.269 5.436 ( -1.405 -0.332 -0.646) 1.582 5.436 ( -1.405 0.332 -0.646) 1.582 5.543 ( 0.042 -1.152 0.388) 1.216 5.543 ( 0.042 1.152 0.388) 1.216 5.617 ( 0.233 -0.864 0.065) 0.897 5.617 ( 0.233 0.864 0.065) 0.897 5.667 ( 0.759 -0.663 1.859) 2.115 5.667 ( 0.759 0.663 1.859) 2.115 5.724 ( -1.759 -0.346 -1.646) 2.434 5.724 ( -1.759 0.346 -1.646) 2.434 5.864 ( 0.110 -0.330 0.013) 0.348 5.864 ( 0.110 0.330 0.013) 0.348 5.887 ( 0.254 -0.174 -0.001) 0.308 5.887 ( 0.254 0.174 -0.001) 0.308 6.067 ( 1.041 -0.440 1.439) 1.829 6.067 ( 1.041 0.440 1.439) 1.829 6.087 ( -0.891 -0.079 -0.963) 1.314 6.087 ( -0.891 0.079 -0.963) 1.314 6.109 ( 0.115 -0.304 0.204) 0.383 6.109 ( 0.115 0.304 0.204) 0.383 6.136 ( -0.040 -0.239 -0.120) 0.270 6.136 ( -0.040 0.239 -0.120) 0.270 6.415 ( -0.120 -0.260 -0.042) 0.289 6.415 ( -0.120 0.260 -0.042) 0.289 6.648 ( -0.207 -1.270 0.834) 1.534 6.648 ( -0.207 1.270 0.834) 1.534 6.762 ( -0.895 -0.553 -0.906) 1.389 6.762 ( -0.895 0.553 -0.906) 1.389 6.868 ( 0.654 -0.734 0.462) 1.086 6.868 ( 0.654 0.734 0.462) 1.086 7.232 ( 0.796 -1.037 -0.003) 1.307 7.232 ( 0.796 1.037 -0.003) 1.307 7.267 ( 0.406 -0.792 -0.321) 0.946 7.267 ( 0.406 0.792 -0.321) 0.946 7.528 ( -0.459 -0.932 0.394) 1.111 7.528 ( -0.459 0.932 0.394) 1.111 7.549 ( -0.968 -1.161 -0.243) 1.531 7.549 ( -0.968 1.161 -0.243) 1.531 7.799 ( -0.493 -0.987 0.037) 1.104 7.799 ( -0.493 0.987 0.037) 1.104 7.844 ( -0.312 -0.706 -0.489) 0.914 7.844 ( -0.312 0.706 -0.489) 0.914 7.984 ( -0.132 -0.428 0.348) 0.567 7.984 ( -0.132 0.428 0.348) 0.567 7.995 ( -0.230 -0.822 0.347) 0.921 7.995 ( -0.230 0.822 0.347) 0.921 8.024 ( -0.607 -0.848 0.082) 1.046 8.024 ( -0.607 0.848 0.082) 1.046 8.077 ( -0.738 -0.376 0.098) 0.834 8.077 ( -0.738 0.376 0.098) 0.834 8.832 ( 0.536 -0.702 0.459) 0.996 8.832 ( 0.536 0.702 0.459) 0.996 8.876 ( -0.828 -0.832 -0.654) 1.344 8.876 ( -0.828 0.832 -0.654) 1.344 8.993 ( 0.394 -1.024 -0.371) 1.158 8.993 ( 0.394 1.024 -0.371) 1.158 9.034 ( 0.510 -0.738 0.119) 0.905 9.034 ( 0.510 0.738 0.119) 0.905 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.33 -0.50 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 3.480 -0.853 -0.152) 3.586 0.255 ( 3.480 0.853 -0.152) 3.586 0.342 ( -0.312 -0.521 0.212) 0.643 0.342 ( -0.312 0.521 0.212) 0.643 0.473 ( 4.361 -4.341 -0.086) 6.153 0.473 ( 4.361 4.341 -0.086) 6.153 0.612 ( 3.351 -3.876 -0.295) 5.132 0.612 ( 3.351 3.876 -0.295) 5.132 0.650 ( 1.445 -1.265 -0.989) 2.160 0.650 ( 1.445 1.265 -0.989) 2.160 0.697 ( -2.498 -1.415 -0.300) 2.887 0.697 ( -2.498 1.415 -0.300) 2.887 0.719 ( -1.398 -1.631 -3.197) 3.852 0.719 ( -1.398 1.631 -3.197) 3.852 0.762 ( -1.201 -1.262 0.181) 1.752 0.762 ( -1.201 1.262 0.181) 1.752 0.811 ( -3.714 -1.438 -5.241) 6.583 0.811 ( -3.714 1.438 -5.241) 6.583 0.870 ( -0.589 -0.968 2.240) 2.510 0.870 ( -0.589 0.968 2.240) 2.510 0.927 ( -0.555 -1.322 -1.435) 2.029 0.927 ( -0.555 1.322 -1.435) 2.029 0.943 ( -0.023 -0.746 -1.707) 1.863 0.943 ( -0.023 0.746 -1.707) 1.863 0.983 ( -2.368 -1.188 -1.115) 2.875 0.983 ( -2.368 1.188 -1.115) 2.875 1.028 ( 1.176 -1.515 -0.110) 1.921 1.028 ( 1.176 1.515 -0.110) 1.921 1.033 ( 1.849 -0.581 0.895) 2.135 1.033 ( 1.849 0.581 0.895) 2.135 1.092 ( 2.111 -1.033 1.349) 2.710 1.092 ( 2.111 1.033 1.349) 2.710 1.133 ( 1.850 -1.119 0.155) 2.167 1.133 ( 1.850 1.119 0.155) 2.167 1.157 ( 1.831 -0.295 0.741) 1.997 1.157 ( 1.831 0.295 0.741) 1.997 1.225 ( -0.242 -0.495 0.196) 0.585 1.225 ( -0.242 0.495 0.196) 0.585 1.235 ( -0.970 -0.412 -1.075) 1.505 1.235 ( -0.970 0.412 -1.075) 1.505 1.337 ( -0.020 -1.634 0.076) 1.636 1.337 ( -0.020 1.634 0.076) 1.636 1.380 ( 1.214 -2.323 1.086) 2.837 1.380 ( 1.214 2.323 1.086) 2.837 1.433 ( 1.074 -0.717 2.669) 2.965 1.433 ( 1.074 0.717 2.669) 2.965 1.510 ( 0.614 -3.004 -0.371) 3.089 1.510 ( 0.614 3.004 -0.371) 3.089 1.528 ( 0.480 -0.399 -0.404) 0.744 1.528 ( 0.480 0.399 -0.404) 0.744 1.573 ( 2.924 -0.786 -0.090) 3.029 1.573 ( 2.924 0.786 -0.090) 3.029 1.692 ( 0.559 -0.956 1.189) 1.625 1.692 ( 0.559 0.956 1.189) 1.625 1.698 ( -1.762 -0.976 0.050) 2.015 1.698 ( -1.762 0.976 0.050) 2.015 1.785 ( 1.307 -1.494 2.936) 3.544 1.785 ( 1.307 1.494 2.936) 3.544 1.848 ( -0.983 -0.037 0.492) 1.100 1.848 ( -0.983 0.037 0.492) 1.100 1.947 ( 2.628 -1.374 5.794) 6.509 1.947 ( 2.628 1.374 5.794) 6.509 2.019 ( -3.275 -0.368 -3.330) 4.685 2.019 ( -3.275 0.368 -3.330) 4.685 2.109 ( -0.102 -0.735 -0.241) 0.780 2.109 ( -0.102 0.735 -0.241) 0.780 2.204 ( -1.373 -0.918 -2.371) 2.890 2.204 ( -1.373 0.918 -2.371) 2.890 2.273 ( -0.910 -0.871 -1.725) 2.136 2.273 ( -0.910 0.871 -1.725) 2.136 2.369 ( 1.372 -0.537 1.328) 1.983 2.369 ( 1.372 0.537 1.328) 1.983 2.397 ( -0.251 -1.222 0.791) 1.477 2.397 ( -0.251 1.222 0.791) 1.477 2.446 ( -0.312 -1.125 0.007) 1.167 2.446 ( -0.312 1.125 0.007) 1.167 2.503 ( -0.401 -0.935 -1.415) 1.743 2.503 ( -0.401 0.935 -1.415) 1.743 2.540 ( -0.995 -0.492 -1.388) 1.777 2.540 ( -0.995 0.492 -1.388) 1.777 2.609 ( -1.924 -1.651 -2.895) 3.848 2.609 ( -1.924 1.651 -2.895) 3.848 2.701 ( 2.332 -1.274 2.274) 3.498 2.701 ( 2.332 1.274 2.274) 3.498 2.727 ( -0.341 -0.546 0.893) 1.101 2.727 ( -0.341 0.546 0.893) 1.101 2.749 ( -0.951 -0.904 0.499) 1.404 2.749 ( -0.951 0.904 0.499) 1.404 2.850 ( -1.178 -1.329 -1.922) 2.617 2.850 ( -1.178 1.329 -1.922) 2.617 2.862 ( -1.179 -0.452 -0.338) 1.307 2.862 ( -1.179 0.452 -0.338) 1.307 2.917 ( 1.372 -0.716 1.440) 2.114 2.917 ( 1.372 0.716 1.440) 2.114 2.936 ( 0.708 -0.881 0.997) 1.507 2.936 ( 0.708 0.881 0.997) 1.507 3.006 ( -0.227 -0.199 -1.798) 1.824 3.006 ( -0.227 0.199 -1.798) 1.824 3.064 ( -1.996 -0.708 -1.862) 2.820 3.064 ( -1.996 0.708 -1.862) 2.820 3.146 ( 1.005 -1.197 0.654) 1.695 3.146 ( 1.005 1.197 0.654) 1.695 3.221 ( 0.723 -0.155 1.641) 1.800 3.221 ( 0.723 0.155 1.641) 1.800 3.259 ( -1.019 -0.962 -0.349) 1.444 3.259 ( -1.019 0.962 -0.349) 1.444 3.307 ( 0.923 -0.441 1.348) 1.692 3.307 ( 0.923 0.441 1.348) 1.692 3.331 ( -0.535 -0.538 -0.844) 1.135 3.331 ( -0.535 0.538 -0.844) 1.135 3.373 ( 0.835 -0.923 1.502) 1.950 3.373 ( 0.835 0.923 1.502) 1.950 3.483 ( -0.009 -1.151 -0.006) 1.151 3.483 ( -0.009 1.151 -0.006) 1.151 3.516 ( -0.312 -0.410 -0.602) 0.793 3.516 ( -0.312 0.410 -0.602) 0.793 3.705 ( -0.881 -0.303 1.227) 1.541 3.705 ( -0.881 0.303 1.227) 1.541 3.752 ( -0.898 -0.644 -0.932) 1.446 3.752 ( -0.898 0.644 -0.932) 1.446 3.796 ( -0.107 -0.602 -0.617) 0.869 3.796 ( -0.107 0.602 -0.617) 0.869 3.860 ( 0.309 -0.805 0.735) 1.133 3.860 ( 0.309 0.805 0.735) 1.133 4.137 ( -0.442 -0.346 -0.737) 0.926 4.137 ( -0.442 0.346 -0.737) 0.926 4.162 ( 0.224 -0.310 0.658) 0.761 4.162 ( 0.224 0.310 0.658) 0.761 4.311 ( -0.128 -0.333 0.192) 0.406 4.311 ( -0.128 0.333 0.192) 0.406 4.323 ( -0.183 -0.264 0.118) 0.342 4.323 ( -0.183 0.264 0.118) 0.342 4.423 ( -0.422 -1.146 -0.710) 1.413 4.423 ( -0.422 1.146 -0.710) 1.413 4.449 ( 0.821 -1.160 0.994) 1.734 4.449 ( 0.821 1.160 0.994) 1.734 4.582 ( -1.190 -0.704 -1.802) 2.271 4.582 ( -1.190 0.704 -1.802) 2.271 4.671 ( 0.864 -0.197 1.341) 1.608 4.671 ( 0.864 0.197 1.341) 1.608 4.839 ( -0.132 -0.416 -0.675) 0.804 4.839 ( -0.132 0.416 -0.675) 0.804 4.860 ( -0.056 -0.548 -0.467) 0.722 4.860 ( -0.056 0.548 -0.467) 0.722 5.005 ( -1.692 -0.228 -0.790) 1.881 5.005 ( -1.692 0.228 -0.790) 1.881 5.043 ( -0.612 -0.268 0.815) 1.054 5.043 ( -0.612 0.268 0.815) 1.054 5.175 ( -0.002 -0.186 -0.507) 0.540 5.175 ( -0.002 0.186 -0.507) 0.540 5.192 ( 0.636 -0.175 -0.100) 0.668 5.192 ( 0.636 0.175 -0.100) 0.668 5.265 ( 1.699 -0.160 0.975) 1.965 5.265 ( 1.699 0.160 0.975) 1.965 5.289 ( 1.337 -0.280 -0.110) 1.370 5.289 ( 1.337 0.280 -0.110) 1.370 5.409 ( -0.762 -0.420 -0.145) 0.882 5.409 ( -0.762 0.420 -0.145) 0.882 5.414 ( -0.320 -0.162 0.774) 0.853 5.414 ( -0.320 0.162 0.774) 0.853 5.547 ( 0.041 -0.549 0.389) 0.674 5.547 ( 0.041 0.549 0.389) 0.674 5.614 ( -0.344 -0.999 -0.231) 1.081 5.614 ( -0.344 0.999 -0.231) 1.081 5.674 ( -1.657 -0.085 -1.428) 2.189 5.674 ( -1.657 0.085 -1.428) 2.189 5.707 ( 1.110 -0.117 1.967) 2.261 5.707 ( 1.110 0.117 1.967) 2.261 5.867 ( 0.164 -0.313 0.032) 0.355 5.867 ( 0.164 0.313 0.032) 0.355 5.890 ( 0.128 -0.152 -0.090) 0.218 5.890 ( 0.128 0.152 -0.090) 0.218 6.061 ( -0.676 -0.198 -1.041) 1.256 6.061 ( -0.676 0.198 -1.041) 1.256 6.088 ( 0.267 -0.166 0.522) 0.609 6.088 ( 0.267 0.166 0.522) 0.609 6.108 ( -0.339 -0.245 -0.291) 0.509 6.108 ( -0.339 0.245 -0.291) 0.509 6.142 ( 0.440 -0.166 0.567) 0.737 6.142 ( 0.440 0.166 0.567) 0.737 6.412 ( -0.152 -0.357 -0.061) 0.393 6.412 ( -0.152 0.357 -0.061) 0.393 6.643 ( -0.739 -1.843 0.037) 1.986 6.643 ( -0.739 1.843 0.037) 1.986 6.754 ( 0.125 -0.604 0.548) 0.825 6.754 ( 0.125 0.604 0.548) 0.825 6.878 ( 0.275 -1.164 -0.017) 1.196 6.878 ( 0.275 1.164 -0.017) 1.196 7.245 ( 0.654 -1.016 -0.260) 1.236 7.245 ( 0.654 1.016 -0.260) 1.236 7.271 ( 0.266 -0.918 -0.228) 0.983 7.271 ( 0.266 0.918 -0.228) 0.983 7.523 ( -0.666 -0.653 0.398) 1.014 7.523 ( -0.666 0.653 0.398) 1.014 7.526 ( -0.841 -0.733 -0.313) 1.159 7.526 ( -0.841 0.733 -0.313) 1.159 7.788 ( -0.584 -0.427 -0.229) 0.759 7.788 ( -0.584 0.427 -0.229) 0.759 7.838 ( -0.123 -0.555 -0.033) 0.570 7.838 ( -0.123 0.555 -0.033) 0.570 7.972 ( -0.919 -0.575 -0.089) 1.088 7.972 ( -0.919 0.575 -0.089) 1.088 8.000 ( -0.022 -0.525 0.673) 0.854 8.000 ( -0.022 0.525 0.673) 0.854 8.020 ( 0.095 -1.607 -0.278) 1.634 8.020 ( 0.095 1.607 -0.278) 1.634 8.064 ( -0.682 -0.278 0.211) 0.766 8.064 ( -0.682 0.278 0.211) 0.766 8.844 ( 0.250 -0.482 0.218) 0.585 8.844 ( 0.250 0.482 0.218) 0.585 8.862 ( -0.135 -0.914 -0.135) 0.933 8.862 ( -0.135 0.914 -0.135) 0.933 8.994 ( 0.169 -0.997 -0.382) 1.081 8.994 ( 0.169 0.997 -0.382) 1.081 9.044 ( 0.435 -0.927 0.241) 1.052 9.044 ( 0.435 0.927 0.241) 1.052 ======================= Grid point 20 (12/30) ======================= q-point: (-0.50 -0.50 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 -0.858 0.000) 0.858 0.295 ( 0.000 0.858 -0.000) 0.858 0.330 ( 0.000 -0.374 -0.000) 0.374 0.330 ( -0.000 0.374 -0.000) 0.374 0.503 ( 0.000 -1.612 -0.000) 1.612 0.503 ( 0.000 1.612 0.000) 1.612 0.559 ( 0.000 -0.467 0.000) 0.467 0.559 ( 0.000 0.467 0.000) 0.467 0.642 ( 0.000 -0.779 0.000) 0.779 0.642 ( 0.000 0.779 -0.000) 0.779 0.678 ( -0.000 -3.789 0.000) 3.789 0.678 ( 0.000 3.789 -0.000) 3.789 0.722 ( 0.000 -0.307 0.000) 0.307 0.722 ( 0.000 0.307 0.000) 0.307 0.759 ( 0.000 -0.727 -0.000) 0.727 0.759 ( 0.000 0.727 -0.000) 0.727 0.777 ( 0.000 -1.325 -0.000) 1.325 0.777 ( 0.000 1.325 0.000) 1.325 0.880 ( 0.000 -1.024 -0.000) 1.024 0.880 ( 0.000 1.024 0.000) 1.024 0.885 ( 0.000 -2.349 0.000) 2.349 0.885 ( 0.000 2.349 -0.000) 2.349 0.940 ( 0.000 -0.637 -0.000) 0.637 0.940 ( 0.000 0.637 -0.000) 0.637 0.953 ( 0.000 -1.037 0.000) 1.037 0.953 ( 0.000 1.037 -0.000) 1.037 1.039 ( 0.000 -1.378 0.000) 1.378 1.039 ( 0.000 1.378 0.000) 1.378 1.052 ( 0.000 -0.155 0.000) 0.155 1.052 ( 0.000 0.155 -0.000) 0.155 1.115 ( 0.000 -1.303 -0.000) 1.303 1.115 ( 0.000 1.303 0.000) 1.303 1.160 ( 0.000 -1.392 -0.000) 1.392 1.160 ( 0.000 1.392 -0.000) 1.392 1.195 ( 0.000 -0.702 0.000) 0.702 1.195 ( 0.000 0.702 0.000) 0.702 1.207 ( -0.000 -0.382 0.000) 0.382 1.207 ( 0.000 0.382 0.000) 0.382 1.226 ( 0.000 -0.602 0.000) 0.602 1.226 ( 0.000 0.602 -0.000) 0.602 1.313 ( 0.000 -0.494 -0.000) 0.494 1.313 ( 0.000 0.494 0.000) 0.494 1.415 ( 0.000 -0.061 0.000) 0.061 1.415 ( 0.000 0.061 -0.000) 0.061 1.465 ( 0.000 -0.390 0.000) 0.390 1.465 ( 0.000 0.390 -0.000) 0.390 1.484 ( 0.000 -0.383 -0.000) 0.383 1.484 ( 0.000 0.383 -0.000) 0.383 1.549 ( 0.000 -0.414 0.000) 0.414 1.549 ( 0.000 0.414 0.000) 0.414 1.622 ( 0.000 -0.199 -0.000) 0.199 1.622 ( 0.000 0.199 -0.000) 0.199 1.660 ( 0.000 -0.306 0.000) 0.306 1.660 ( 0.000 0.306 -0.000) 0.306 1.728 ( 0.000 -2.369 0.000) 2.369 1.728 ( 0.000 2.369 0.000) 2.369 1.803 ( 0.000 -0.233 0.000) 0.233 1.803 ( 0.000 0.233 0.000) 0.233 1.886 ( 0.000 -0.659 0.000) 0.659 1.886 ( 0.000 0.659 0.000) 0.659 1.923 ( 0.000 -1.257 0.000) 1.257 1.923 ( 0.000 1.257 -0.000) 1.257 2.055 ( 0.000 -0.537 0.000) 0.537 2.055 ( 0.000 0.537 -0.000) 0.537 2.101 ( 0.000 -0.134 0.000) 0.134 2.101 ( 0.000 0.134 -0.000) 0.134 2.208 ( -0.000 -0.463 -0.000) 0.463 2.208 ( 0.000 0.463 -0.000) 0.463 2.238 ( 0.000 -1.204 0.000) 1.204 2.238 ( 0.000 1.204 0.000) 1.204 2.358 ( 0.000 -0.353 0.000) 0.353 2.358 ( 0.000 0.353 0.000) 0.353 2.390 ( 0.000 -0.192 0.000) 0.192 2.390 ( 0.000 0.192 0.000) 0.192 2.424 ( 0.000 -0.332 -0.000) 0.332 2.424 ( 0.000 0.332 -0.000) 0.332 2.494 ( 0.000 -1.000 0.000) 1.000 2.494 ( 0.000 1.000 0.000) 1.000 2.519 ( 0.000 -0.304 0.000) 0.304 2.519 ( 0.000 0.304 0.000) 0.304 2.580 ( 0.000 -1.308 -0.000) 1.308 2.580 ( 0.000 1.308 0.000) 1.308 2.712 ( 0.000 -2.109 0.000) 2.109 2.712 ( 0.000 2.109 0.000) 2.109 2.749 ( 0.000 -0.706 0.000) 0.706 2.749 ( 0.000 0.706 0.000) 0.706 2.754 ( 0.000 -0.237 0.000) 0.237 2.754 ( 0.000 0.237 -0.000) 0.237 2.820 ( 0.000 -0.978 -0.000) 0.978 2.820 ( 0.000 0.978 -0.000) 0.978 2.841 ( 0.000 -0.469 0.000) 0.469 2.841 ( 0.000 0.469 -0.000) 0.469 2.937 ( 0.000 -0.205 0.000) 0.205 2.937 ( 0.000 0.205 -0.000) 0.205 2.964 ( 0.000 -1.464 0.000) 1.464 2.964 ( 0.000 1.464 -0.000) 1.464 2.991 ( 0.000 -0.618 0.000) 0.618 2.991 ( 0.000 0.618 -0.000) 0.618 3.034 ( 0.000 -0.614 -0.000) 0.614 3.034 ( 0.000 0.614 -0.000) 0.614 3.152 ( 0.000 -0.813 -0.000) 0.813 3.152 ( 0.000 0.813 0.000) 0.813 3.242 ( -0.000 -0.209 0.000) 0.209 3.242 ( 0.000 0.209 0.000) 0.209 3.243 ( -0.000 -0.444 -0.000) 0.444 3.243 ( 0.000 0.444 0.000) 0.444 3.315 ( 0.000 -0.064 -0.000) 0.064 3.315 ( 0.000 0.064 0.000) 0.064 3.338 ( 0.000 -1.079 0.000) 1.079 3.338 ( 0.000 1.079 -0.000) 1.079 3.403 ( 0.000 -1.324 0.000) 1.324 3.403 ( 0.000 1.324 0.000) 1.324 3.466 ( 0.000 -1.624 0.000) 1.624 3.466 ( 0.000 1.624 0.000) 1.624 3.509 ( 0.000 -1.863 0.000) 1.863 3.509 ( 0.000 1.863 0.000) 1.863 3.705 ( 0.000 -1.139 0.000) 1.139 3.705 ( 0.000 1.139 0.000) 1.139 3.736 ( 0.000 -0.540 0.000) 0.540 3.736 ( 0.000 0.540 0.000) 0.540 3.790 ( 0.000 -0.071 0.000) 0.071 3.790 ( 0.000 0.071 0.000) 0.071 3.869 ( 0.000 -1.429 0.000) 1.429 3.869 ( 0.000 1.429 0.000) 1.429 4.129 ( 0.000 -0.238 0.000) 0.238 4.129 ( 0.000 0.238 0.000) 0.238 4.169 ( 0.000 -0.288 -0.000) 0.288 4.169 ( 0.000 0.288 0.000) 0.288 4.311 ( 0.000 -0.033 0.000) 0.033 4.311 ( 0.000 0.033 0.000) 0.033 4.322 ( 0.000 -0.104 0.000) 0.104 4.322 ( 0.000 0.104 0.000) 0.104 4.416 ( 0.000 -1.015 0.000) 1.015 4.416 ( 0.000 1.015 0.000) 1.015 4.467 ( 0.000 -0.420 0.000) 0.420 4.467 ( 0.000 0.420 0.000) 0.420 4.554 ( 0.000 -0.739 0.000) 0.739 4.554 ( 0.000 0.739 0.000) 0.739 4.688 ( 0.000 -0.005 -0.000) 0.005 4.688 ( 0.000 0.005 -0.000) 0.005 4.830 ( 0.000 -0.441 -0.000) 0.441 4.830 ( 0.000 0.441 0.000) 0.441 4.861 ( 0.000 -0.705 0.000) 0.705 4.861 ( 0.000 0.705 0.000) 0.705 4.984 ( 0.000 -0.306 0.000) 0.306 4.984 ( 0.000 0.306 0.000) 0.306 5.042 ( 0.000 -0.358 0.000) 0.358 5.042 ( 0.000 0.358 0.000) 0.358 5.170 ( 0.000 -0.200 0.000) 0.200 5.170 ( 0.000 0.200 0.000) 0.200 5.197 ( 0.000 -0.202 0.000) 0.202 5.197 ( 0.000 0.202 0.000) 0.202 5.285 ( 0.000 -0.076 0.000) 0.076 5.285 ( 0.000 0.076 0.000) 0.076 5.304 ( 0.000 -0.101 -0.000) 0.101 5.304 ( 0.000 0.101 0.000) 0.101 5.401 ( 0.000 -0.448 0.000) 0.448 5.401 ( 0.000 0.448 0.000) 0.448 5.415 ( 0.000 -0.135 -0.000) 0.135 5.415 ( 0.000 0.135 -0.000) 0.135 5.551 ( 0.000 -1.674 0.000) 1.674 5.551 ( 0.000 1.674 -0.000) 1.674 5.606 ( 0.000 -0.356 0.000) 0.356 5.606 ( 0.000 0.356 0.000) 0.356 5.653 ( 0.000 -0.568 0.000) 0.568 5.653 ( 0.000 0.568 0.000) 0.568 5.728 ( 0.000 -0.075 -0.000) 0.075 5.728 ( 0.000 0.075 0.000) 0.075 5.869 ( 0.000 -0.296 0.000) 0.296 5.869 ( 0.000 0.296 0.000) 0.296 5.890 ( 0.000 -0.038 0.000) 0.038 5.890 ( 0.000 0.038 0.000) 0.038 6.050 ( 0.000 -0.285 0.000) 0.285 6.050 ( 0.000 0.285 0.000) 0.285 6.094 ( 0.000 -0.382 0.000) 0.382 6.094 ( 0.000 0.382 0.000) 0.382 6.100 ( -0.000 -0.426 -0.000) 0.426 6.100 ( 0.000 0.426 -0.000) 0.426 6.150 ( 0.000 -0.065 -0.000) 0.065 6.150 ( 0.000 0.065 0.000) 0.065 6.410 ( 0.000 -0.362 0.000) 0.362 6.410 ( 0.000 0.362 0.000) 0.362 6.635 ( 0.000 -2.996 -0.000) 2.996 6.635 ( 0.000 2.996 -0.000) 2.996 6.761 ( 0.000 -0.072 -0.000) 0.072 6.761 ( 0.000 0.072 -0.000) 0.072 6.880 ( 0.000 -2.056 0.000) 2.056 6.880 ( 0.000 2.056 -0.000) 2.056 7.249 ( 0.000 -1.097 0.000) 1.097 7.249 ( 0.000 1.097 0.000) 1.097 7.272 ( 0.000 -0.403 0.000) 0.403 7.272 ( 0.000 0.403 0.000) 0.403 7.512 ( 0.000 -0.347 0.000) 0.347 7.512 ( 0.000 0.347 0.000) 0.347 7.523 ( 0.000 -0.271 0.000) 0.271 7.523 ( 0.000 0.271 0.000) 0.271 7.780 ( 0.000 -0.098 0.000) 0.098 7.780 ( 0.000 0.098 0.000) 0.098 7.837 ( 0.000 -0.786 0.000) 0.786 7.837 ( 0.000 0.786 0.000) 0.786 7.962 ( 0.000 -0.492 -0.000) 0.492 7.962 ( 0.000 0.492 0.000) 0.492 8.004 ( 0.000 -0.378 -0.000) 0.378 8.004 ( 0.000 0.378 0.000) 0.378 8.019 ( 0.000 -1.104 0.000) 1.104 8.019 ( 0.000 1.104 -0.000) 1.104 8.060 ( 0.000 -0.682 0.000) 0.682 8.060 ( 0.000 0.682 0.000) 0.682 8.845 ( 0.000 -0.115 0.000) 0.115 8.845 ( 0.000 0.115 0.000) 0.115 8.863 ( 0.000 -0.291 -0.000) 0.291 8.863 ( 0.000 0.291 -0.000) 0.291 8.993 ( 0.000 -0.906 0.000) 0.906 8.993 ( 0.000 0.906 0.000) 0.906 9.050 ( 0.000 -1.017 0.000) 1.017 9.050 ( 0.000 1.017 0.000) 1.017 ======================= Grid point 35 (13/30) ======================= q-point: ( 0.00 0.00 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.131 ( -5.552 0.000 0.015) 5.552 0.141 ( 2.493 0.000 -0.327) 2.514 0.271 ( 0.843 0.000 9.171) 9.210 0.306 ( -6.863 0.000 6.444) 9.414 0.347 ( 2.043 0.000 0.892) 2.229 0.352 ( -3.814 0.000 5.166) 6.421 0.504 ( -4.459 0.000 -0.526) 4.490 0.546 ( 7.598 0.000 11.905) 14.123 0.566 ( 7.186 0.000 -1.200) 7.285 0.619 ( 1.063 0.000 -0.813) 1.339 0.637 ( -3.046 0.000 4.940) 5.804 0.709 ( 1.530 0.000 -2.797) 3.188 0.756 ( 0.322 0.000 5.083) 5.093 0.781 ( 0.725 0.000 0.662) 0.982 0.789 ( 1.989 0.000 3.216) 3.781 0.802 ( 1.364 0.000 2.366) 2.731 0.842 ( 0.315 0.000 0.940) 0.992 0.842 ( -0.952 0.000 -0.455) 1.055 0.853 ( -0.051 0.000 -0.216) 0.222 0.876 ( -0.075 0.000 -0.869) 0.872 0.895 ( 2.423 0.000 -3.249) 4.053 0.916 ( 0.963 0.000 -0.361) 1.028 0.922 ( 1.527 0.000 1.805) 2.364 0.940 ( 0.347 0.000 0.270) 0.440 0.949 ( -2.111 0.000 -0.798) 2.257 0.978 ( -0.795 0.000 -2.966) 3.071 0.996 ( 1.118 0.000 1.305) 1.718 1.002 ( -0.064 0.000 0.146) 0.159 1.039 ( 1.491 0.000 1.949) 2.454 1.069 ( 1.973 0.000 4.532) 4.943 1.082 ( -0.546 0.000 -1.906) 1.982 1.102 ( 1.310 0.000 -2.597) 2.909 1.129 ( 0.721 0.000 2.746) 2.839 1.132 ( -1.034 0.000 1.840) 2.111 1.151 ( -3.277 0.000 -2.348) 4.031 1.168 ( -0.187 0.000 -0.382) 0.425 1.204 ( 1.246 0.000 -1.440) 1.904 1.231 ( 0.175 0.000 -0.386) 0.424 1.232 ( -1.385 0.000 -6.278) 6.429 1.271 ( -0.317 0.000 -4.035) 4.048 1.302 ( -0.045 0.000 1.239) 1.240 1.335 ( -1.386 0.000 -0.632) 1.524 1.358 ( 2.865 0.000 3.732) 4.705 1.422 ( 3.005 0.000 1.046) 3.182 1.429 ( -1.129 0.000 -2.675) 2.904 1.464 ( 1.347 0.000 0.126) 1.353 1.464 ( -4.216 0.000 -3.608) 5.549 1.487 ( -0.598 0.000 -2.590) 2.658 1.495 ( -2.683 0.000 -1.024) 2.872 1.560 ( -5.442 0.000 -7.749) 9.469 1.561 ( -1.731 0.000 0.161) 1.738 1.589 ( 0.148 0.000 -2.962) 2.966 1.616 ( 0.557 0.000 0.995) 1.140 1.632 ( -1.303 0.000 -0.479) 1.388 1.708 ( 1.682 0.000 2.636) 3.127 1.724 ( -1.932 0.000 1.697) 2.571 1.736 ( 3.014 0.000 3.114) 4.334 1.822 ( -4.504 0.000 -3.156) 5.500 1.892 ( 0.694 0.000 0.003) 0.694 1.923 ( 0.713 0.000 0.793) 1.066 1.939 ( -5.102 0.000 -4.011) 6.490 1.985 ( -4.696 0.000 -4.863) 6.760 2.100 ( -0.091 0.000 1.202) 1.206 2.106 ( 2.216 0.000 1.479) 2.664 2.122 ( 1.451 0.000 -0.428) 1.513 2.137 ( -0.241 0.000 0.750) 0.787 2.231 ( -0.770 0.000 -1.481) 1.669 2.232 ( 3.483 0.000 -0.788) 3.571 2.273 ( -0.681 0.000 0.374) 0.777 2.293 ( -1.025 0.000 -1.789) 2.062 2.332 ( 3.457 0.000 1.928) 3.958 2.364 ( -1.636 0.000 -0.505) 1.713 2.378 ( 0.695 0.000 2.888) 2.970 2.395 ( 1.651 0.000 -0.209) 1.664 2.418 ( 0.929 0.000 2.051) 2.252 2.453 ( -1.352 0.000 -0.645) 1.498 2.477 ( 1.781 0.000 2.169) 2.807 2.511 ( -1.316 0.000 -0.952) 1.624 2.526 ( 0.712 0.000 2.237) 2.348 2.554 ( 2.561 0.000 4.584) 5.251 2.569 ( -0.471 0.000 -1.650) 1.716 2.656 ( 1.258 0.000 1.912) 2.289 2.671 ( -1.126 0.000 -2.016) 2.309 2.694 ( -2.237 0.000 -3.415) 4.082 2.732 ( 3.507 0.000 3.943) 5.277 2.799 ( -0.855 0.000 -1.824) 2.014 2.805 ( 1.396 0.000 1.602) 2.125 2.815 ( -1.779 0.000 0.120) 1.783 2.844 ( -0.230 0.000 1.940) 1.953 2.854 ( 1.210 0.000 0.427) 1.283 2.872 ( 1.461 0.000 0.739) 1.637 2.888 ( 2.320 0.000 1.974) 3.047 2.916 ( -1.724 0.000 -2.028) 2.662 2.928 ( -0.685 0.000 -1.432) 1.587 2.951 ( -0.976 0.000 -0.985) 1.387 2.969 ( -2.225 0.000 -2.363) 3.245 3.015 ( 0.097 0.000 0.337) 0.351 3.021 ( 2.079 0.000 0.089) 2.081 3.044 ( 1.764 0.000 1.767) 2.497 3.048 ( 0.631 0.000 -0.323) 0.709 3.077 ( 1.878 0.000 1.343) 2.309 3.150 ( -2.821 0.000 -2.173) 3.561 3.195 ( -0.409 0.000 0.303) 0.509 3.206 ( 1.483 0.000 1.488) 2.101 3.245 ( -1.410 0.000 -0.799) 1.621 3.280 ( -1.654 0.000 -2.218) 2.766 3.303 ( 0.711 0.000 0.813) 1.080 3.325 ( -2.036 0.000 -1.575) 2.574 3.331 ( 0.206 0.000 0.099) 0.228 3.352 ( 0.342 0.000 -1.134) 1.185 3.353 ( 1.840 0.000 1.320) 2.264 3.382 ( -1.335 0.000 -1.717) 2.175 3.450 ( 1.492 0.000 0.838) 1.711 3.498 ( -2.725 0.000 -2.988) 4.044 3.536 ( 1.752 0.000 2.523) 3.072 3.560 ( -0.262 0.000 1.308) 1.334 3.700 ( 1.174 0.000 2.357) 2.633 3.724 ( -0.014 0.000 0.351) 0.351 3.758 ( 0.840 0.000 0.720) 1.107 3.790 ( -1.023 0.000 -1.578) 1.881 3.796 ( 0.454 0.000 0.364) 0.582 3.814 ( 0.013 0.000 -0.848) 0.849 3.841 ( 0.839 0.000 1.346) 1.586 3.864 ( -0.708 0.000 -0.649) 0.960 4.139 ( 0.385 0.000 0.219) 0.443 4.148 ( -0.658 0.000 -0.631) 0.912 4.156 ( 0.214 0.000 0.132) 0.252 4.162 ( -0.319 0.000 -0.295) 0.435 4.309 ( -0.162 0.000 0.266) 0.311 4.318 ( -0.008 0.000 -0.416) 0.416 4.328 ( 0.177 0.000 0.444) 0.478 4.332 ( 0.193 0.000 0.154) 0.247 4.395 ( 0.231 0.000 0.526) 0.574 4.421 ( -1.203 0.000 -1.746) 2.121 4.455 ( 0.465 0.000 0.035) 0.466 4.464 ( -0.591 0.000 -0.836) 1.024 4.600 ( 2.301 0.000 2.275) 3.236 4.610 ( 1.381 0.000 2.432) 2.797 4.643 ( -1.616 0.000 -1.355) 2.109 4.657 ( -1.150 0.000 -1.448) 1.849 4.832 ( 0.172 0.000 0.442) 0.474 4.846 ( 0.298 0.000 0.560) 0.635 4.856 ( -0.069 0.000 -1.594) 1.595 4.874 ( -0.335 0.000 -1.707) 1.740 5.054 ( 1.039 0.000 0.626) 1.213 5.064 ( 1.283 0.000 0.666) 1.445 5.071 ( -1.140 0.000 -0.768) 1.374 5.080 ( -1.112 0.000 -0.560) 1.246 5.162 ( -0.006 0.000 0.173) 0.173 5.166 ( 0.440 0.000 -0.046) 0.442 5.170 ( 0.353 0.000 -0.131) 0.376 5.172 ( -0.253 0.000 -0.122) 0.281 5.218 ( -0.477 0.000 1.066) 1.167 5.222 ( 0.016 0.000 0.983) 0.983 5.229 ( 0.113 0.000 -0.003) 0.113 5.250 ( 0.204 0.000 -0.979) 1.000 5.409 ( 0.388 0.000 1.378) 1.432 5.438 ( -0.661 0.000 -1.036) 1.229 5.464 ( 0.044 0.000 0.209) 0.213 5.465 ( -0.124 0.000 0.156) 0.199 5.531 ( -0.396 0.000 0.359) 0.535 5.549 ( -0.795 0.000 -1.383) 1.595 5.624 ( 1.419 0.000 1.216) 1.869 5.627 ( -0.471 0.000 0.787) 0.917 5.670 ( 1.589 0.000 3.046) 3.435 5.700 ( 0.131 0.000 -0.047) 0.139 5.721 ( -1.151 0.000 -1.743) 2.088 5.732 ( -0.982 0.000 -2.010) 2.237 5.858 ( -0.068 0.000 0.443) 0.448 5.868 ( 0.147 0.000 -0.432) 0.457 5.875 ( -0.031 0.000 0.360) 0.361 5.881 ( 0.184 0.000 -0.130) 0.226 6.062 ( 1.140 0.000 1.213) 1.665 6.083 ( -0.454 0.000 -0.421) 0.619 6.092 ( 0.935 0.000 -0.117) 0.943 6.096 ( -0.940 0.000 -0.476) 1.054 6.116 ( 0.276 0.000 0.433) 0.513 6.119 ( -0.203 0.000 -0.062) 0.212 6.130 ( 1.402 0.000 -0.321) 1.438 6.131 ( -0.781 0.000 -0.168) 0.799 6.391 ( -0.145 0.000 0.305) 0.338 6.397 ( 0.202 0.000 -0.230) 0.306 6.630 ( 2.433 0.000 1.975) 3.134 6.688 ( -3.024 0.000 -2.950) 4.224 6.765 ( 0.769 0.000 0.843) 1.141 6.781 ( -0.574 0.000 -0.304) 0.650 6.843 ( 2.155 0.000 2.468) 3.276 6.889 ( -1.400 0.000 -1.370) 1.959 7.210 ( 0.174 0.000 0.702) 0.723 7.235 ( -0.015 0.000 -1.377) 1.377 7.284 ( -0.522 0.000 0.054) 0.525 7.288 ( 1.965 0.000 -0.204) 1.976 7.506 ( 0.254 0.000 0.513) 0.572 7.520 ( -0.299 0.000 -0.639) 0.705 7.569 ( -0.012 0.000 1.053) 1.053 7.592 ( 0.805 0.000 -0.717) 1.078 7.790 ( 0.166 0.000 -0.133) 0.212 7.792 ( -1.297 0.000 -0.336) 1.339 7.850 ( 0.681 0.000 0.605) 0.911 7.866 ( -0.762 0.000 -0.841) 1.135 7.959 ( -0.526 0.000 0.068) 0.531 7.961 ( 0.650 0.000 -0.139) 0.665 7.983 ( 0.940 0.000 0.220) 0.965 7.986 ( -1.049 0.000 0.139) 1.058 8.047 ( 0.366 0.000 0.700) 0.790 8.062 ( -0.389 0.000 -0.651) 0.759 8.116 ( -0.328 0.000 0.585) 0.671 8.126 ( 1.315 0.000 -0.231) 1.335 8.820 ( -0.312 0.000 0.523) 0.609 8.827 ( -0.247 0.000 -0.121) 0.275 8.850 ( -0.439 0.000 0.869) 0.974 8.877 ( 0.292 0.000 -1.245) 1.279 8.983 ( -0.596 0.000 0.766) 0.970 9.002 ( 0.645 0.000 -0.756) 0.994 9.028 ( -2.310 0.000 0.290) 2.328 9.035 ( 0.901 0.000 -0.325) 0.958 ======================= Grid point 36 (14/30) ======================= q-point: ( 0.17 0.00 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.089 ( -0.010 0.000 1.307) 1.307 0.200 ( 3.122 0.000 0.533) 3.167 0.291 ( 0.358 0.000 3.385) 3.403 0.340 ( 0.738 0.000 0.404) 0.842 0.366 ( 1.515 0.000 4.582) 4.826 0.429 ( -0.492 0.000 -2.882) 2.923 0.457 ( 5.876 0.000 6.065) 8.444 0.545 ( -3.616 0.000 -11.598) 12.149 0.616 ( 1.776 0.000 -0.424) 1.826 0.659 ( -1.025 0.000 0.841) 1.326 0.690 ( 2.835 0.000 -1.103) 3.042 0.740 ( 0.903 0.000 0.667) 1.122 0.777 ( -2.496 0.000 3.057) 3.946 0.794 ( -0.220 0.000 -2.390) 2.400 0.800 ( -0.597 0.000 -0.914) 1.092 0.821 ( -1.018 0.000 -1.370) 1.707 0.851 ( 0.468 0.000 0.498) 0.683 0.854 ( 0.231 0.000 1.028) 1.053 0.865 ( -2.353 0.000 -5.187) 5.696 0.866 ( 1.680 0.000 0.504) 1.754 0.903 ( 3.983 0.000 -6.728) 7.819 0.907 ( -0.725 0.000 -1.352) 1.534 0.936 ( 1.608 0.000 1.375) 2.115 0.939 ( 1.199 0.000 -1.026) 1.578 0.952 ( 0.289 0.000 -0.537) 0.609 0.990 ( 4.161 0.000 1.780) 4.526 0.992 ( 0.071 0.000 -1.237) 1.239 1.009 ( 0.141 0.000 -0.084) 0.164 1.042 ( -1.907 0.000 -0.792) 2.065 1.066 ( 0.618 0.000 -0.916) 1.105 1.084 ( -2.359 0.000 -2.845) 3.696 1.096 ( 1.437 0.000 0.125) 1.442 1.120 ( 0.494 0.000 4.867) 4.892 1.149 ( 0.496 0.000 0.628) 0.800 1.168 ( -0.293 0.000 -1.680) 1.706 1.182 ( -0.728 0.000 -7.077) 7.114 1.187 ( 1.066 0.000 1.604) 1.925 1.208 ( 1.581 0.000 3.717) 4.040 1.225 ( 0.868 0.000 0.277) 0.911 1.225 ( 0.572 0.000 3.647) 3.692 1.283 ( -2.389 0.000 -0.506) 2.442 1.329 ( -0.127 0.000 1.705) 1.710 1.363 ( -3.219 0.000 -4.558) 5.580 1.421 ( 0.091 0.000 -1.271) 1.274 1.427 ( 1.702 0.000 1.896) 2.549 1.454 ( 0.255 0.000 -0.666) 0.713 1.456 ( 0.037 0.000 2.604) 2.605 1.490 ( 1.518 0.000 0.800) 1.716 1.506 ( 1.506 0.000 2.102) 2.586 1.549 ( 3.252 0.000 4.832) 5.824 1.567 ( 2.554 0.000 3.336) 4.201 1.603 ( 2.079 0.000 -1.020) 2.316 1.614 ( 1.095 0.000 0.855) 1.389 1.636 ( -0.024 0.000 0.823) 0.823 1.698 ( -1.088 0.000 0.030) 1.089 1.730 ( -3.148 0.000 -3.388) 4.624 1.760 ( 1.364 0.000 0.254) 1.388 1.832 ( 2.302 0.000 4.405) 4.970 1.862 ( -1.273 0.000 1.255) 1.788 1.906 ( -1.620 0.000 0.411) 1.672 1.955 ( 2.783 0.000 4.950) 5.678 1.994 ( 4.333 0.000 5.680) 7.144 2.060 ( -5.331 0.000 -2.501) 5.889 2.078 ( -3.273 0.000 -0.662) 3.339 2.106 ( -0.921 0.000 -0.844) 1.250 2.145 ( -0.657 0.000 -0.864) 1.085 2.203 ( -0.468 0.000 -0.933) 1.044 2.221 ( -1.118 0.000 -0.273) 1.151 2.276 ( -1.841 0.000 -2.263) 2.917 2.312 ( -1.579 0.000 -1.601) 2.249 2.321 ( 3.700 0.000 1.135) 3.870 2.363 ( -0.180 0.000 1.422) 1.434 2.364 ( -1.076 0.000 -1.583) 1.914 2.416 ( 0.388 0.000 -2.008) 2.045 2.438 ( 0.365 0.000 -1.081) 1.141 2.457 ( 0.434 0.000 0.894) 0.994 2.486 ( -0.193 0.000 -1.407) 1.420 2.531 ( 1.836 0.000 1.264) 2.229 2.537 ( -1.537 0.000 -2.603) 3.023 2.546 ( -0.091 0.000 1.993) 1.995 2.565 ( -2.804 0.000 -4.045) 4.922 2.656 ( -2.218 0.000 -2.713) 3.504 2.673 ( 3.307 0.000 4.374) 5.484 2.679 ( 0.191 0.000 2.115) 2.124 2.716 ( -3.632 0.000 -3.427) 4.994 2.773 ( -1.245 0.000 1.036) 1.620 2.789 ( -0.799 0.000 -0.577) 0.985 2.823 ( -0.973 0.000 1.757) 2.009 2.829 ( -3.138 0.000 -3.229) 4.502 2.855 ( -0.780 0.000 -0.646) 1.013 2.863 ( -1.004 0.000 -1.551) 1.847 2.886 ( 0.293 0.000 0.029) 0.295 2.924 ( 0.707 0.000 0.386) 0.805 2.926 ( 0.329 0.000 0.360) 0.488 2.960 ( 1.864 0.000 1.863) 2.635 2.963 ( 1.692 0.000 3.312) 3.719 2.999 ( -0.637 0.000 -0.043) 0.639 3.018 ( -1.384 0.000 -1.330) 1.920 3.040 ( -2.043 0.000 -2.981) 3.614 3.053 ( 0.001 0.000 -2.032) 2.032 3.076 ( -0.460 0.000 -1.051) 1.148 3.164 ( 2.213 0.000 2.707) 3.497 3.203 ( -0.259 0.000 -0.339) 0.427 3.204 ( 0.609 0.000 0.415) 0.737 3.255 ( 0.472 0.000 0.379) 0.605 3.278 ( 2.078 0.000 2.565) 3.301 3.296 ( -1.019 0.000 -0.277) 1.056 3.325 ( -1.546 0.000 -1.504) 2.157 3.330 ( 0.913 0.000 1.606) 1.847 3.343 ( -0.723 0.000 -0.940) 1.186 3.345 ( 1.130 0.000 1.397) 1.797 3.395 ( 1.344 0.000 0.750) 1.539 3.441 ( -1.148 0.000 -1.619) 1.985 3.505 ( 2.154 0.000 2.451) 3.263 3.532 ( -1.715 0.000 -1.532) 2.299 3.564 ( -0.937 0.000 -0.508) 1.065 3.710 ( -1.020 0.000 -2.014) 2.258 3.727 ( 0.282 0.000 0.324) 0.430 3.747 ( -1.347 0.000 -0.515) 1.442 3.776 ( -0.182 0.000 2.006) 2.014 3.799 ( -0.485 0.000 -1.285) 1.374 3.799 ( -0.540 0.000 -0.042) 0.541 3.836 ( -1.448 0.000 -1.157) 1.854 3.866 ( 1.016 0.000 1.103) 1.500 4.134 ( -0.487 0.000 -0.266) 0.555 4.149 ( 0.184 0.000 0.527) 0.558 4.149 ( -0.717 0.000 -0.302) 0.778 4.161 ( 0.229 0.000 0.371) 0.436 4.310 ( -0.100 0.000 0.510) 0.520 4.315 ( 0.033 0.000 -0.277) 0.279 4.327 ( -0.464 0.000 -0.057) 0.468 4.329 ( -0.377 0.000 -0.377) 0.533 4.398 ( -0.234 0.000 -0.422) 0.483 4.418 ( 1.148 0.000 1.704) 2.055 4.448 ( -0.481 0.000 -0.360) 0.601 4.465 ( 0.276 0.000 0.260) 0.379 4.591 ( -1.910 0.000 -2.078) 2.823 4.616 ( -1.296 0.000 -2.078) 2.449 4.655 ( 1.711 0.000 1.320) 2.161 4.658 ( 1.409 0.000 1.823) 2.304 4.835 ( -0.518 0.000 -1.086) 1.203 4.837 ( -0.219 0.000 0.861) 0.888 4.852 ( -0.529 0.000 -0.947) 1.085 4.863 ( 0.586 0.000 0.912) 1.084 5.029 ( -2.292 0.000 -0.561) 2.360 5.038 ( -2.164 0.000 -0.625) 2.252 5.063 ( -0.928 0.000 0.538) 1.073 5.072 ( -0.871 0.000 0.581) 1.047 5.163 ( -0.111 0.000 -0.206) 0.234 5.171 ( 0.536 0.000 -0.231) 0.584 5.175 ( 0.025 0.000 -0.119) 0.121 5.177 ( 1.119 0.000 -0.132) 1.127 5.242 ( 1.721 0.000 0.772) 1.886 5.248 ( 1.750 0.000 -0.331) 1.781 5.251 ( 1.779 0.000 0.765) 1.937 5.260 ( 1.888 0.000 -0.919) 2.099 5.413 ( -0.931 0.000 -0.871) 1.274 5.426 ( -0.148 0.000 1.386) 1.394 5.448 ( -1.533 0.000 -0.249) 1.553 5.448 ( -1.572 0.000 0.563) 1.670 5.526 ( -1.067 0.000 -0.751) 1.305 5.547 ( 1.184 0.000 1.524) 1.930 5.616 ( -0.895 0.000 -0.628) 1.093 5.647 ( 0.424 0.000 -0.656) 0.781 5.680 ( -1.820 0.000 -2.750) 3.298 5.692 ( -1.075 0.000 -0.452) 1.166 5.714 ( 0.860 0.000 1.795) 1.990 5.722 ( 1.021 0.000 2.168) 2.397 5.860 ( -0.094 0.000 0.411) 0.421 5.866 ( 0.221 0.000 -0.463) 0.513 5.877 ( -0.035 0.000 0.202) 0.205 5.881 ( 0.080 0.000 -0.343) 0.352 6.059 ( -1.014 0.000 -1.280) 1.633 6.073 ( -1.080 0.000 -0.422) 1.159 6.085 ( 0.311 0.000 0.360) 0.476 6.102 ( 0.236 0.000 0.288) 0.373 6.108 ( -0.979 0.000 -0.427) 1.068 6.119 ( 0.073 0.000 -0.084) 0.112 6.125 ( 0.666 0.000 0.337) 0.746 6.143 ( 0.475 0.000 -0.094) 0.485 6.389 ( -0.258 0.000 0.270) 0.374 6.396 ( -0.054 0.000 -0.302) 0.307 6.613 ( -2.310 0.000 -2.109) 3.128 6.695 ( 2.308 0.000 3.207) 3.951 6.760 ( -0.819 0.000 -0.470) 0.944 6.781 ( -0.118 0.000 0.338) 0.357 6.842 ( -1.678 0.000 -2.411) 2.938 6.897 ( 1.555 0.000 1.382) 2.080 7.230 ( 0.649 0.000 -1.261) 1.418 7.233 ( 1.322 0.000 1.063) 1.696 7.271 ( -0.435 0.000 -0.609) 0.748 7.294 ( -0.094 0.000 -0.440) 0.449 7.507 ( -0.416 0.000 -0.551) 0.690 7.515 ( 0.088 0.000 0.589) 0.596 7.567 ( -1.131 0.000 0.631) 1.295 7.574 ( -1.388 0.000 -1.200) 1.835 7.783 ( -0.052 0.000 0.520) 0.522 7.794 ( -0.011 0.000 0.338) 0.338 7.840 ( -1.155 0.000 -0.641) 1.321 7.864 ( 0.119 0.000 0.684) 0.694 7.953 ( -0.071 0.000 -0.078) 0.106 7.965 ( -1.127 0.000 -0.041) 1.128 7.968 ( 0.020 0.000 -0.129) 0.130 8.003 ( 0.892 0.000 0.165) 0.907 8.049 ( -0.312 0.000 -0.312) 0.441 8.060 ( 0.184 0.000 0.270) 0.326 8.088 ( -2.495 0.000 -1.014) 2.693 8.101 ( -2.529 0.000 0.617) 2.604 8.822 ( -0.077 0.000 -0.093) 0.120 8.828 ( 0.329 0.000 0.475) 0.578 8.863 ( 0.558 0.000 0.829) 0.999 8.876 ( 0.530 0.000 -0.833) 0.987 8.981 ( -0.390 0.000 0.687) 0.791 9.007 ( 0.778 0.000 -0.771) 1.095 9.016 ( -0.189 0.000 0.466) 0.502 9.059 ( 1.375 0.000 0.685) 1.536 ======================= Grid point 37 (15/30) ======================= q-point: ( 0.33 0.00 -0.67) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.145 ( 4.467 0.000 -0.111) 4.468 0.237 ( 4.635 0.000 -0.050) 4.635 0.311 ( 0.568 0.000 -0.009) 0.568 0.331 ( -0.834 0.000 -0.695) 1.085 0.418 ( 6.627 0.000 -4.177) 7.833 0.423 ( 3.571 0.000 -3.006) 4.668 0.489 ( 4.290 0.000 4.645) 6.323 0.595 ( 3.124 0.000 1.505) 3.468 0.647 ( -0.282 0.000 -0.351) 0.450 0.655 ( 1.250 0.000 -0.173) 1.262 0.672 ( 0.836 0.000 5.309) 5.374 0.744 ( -2.355 0.000 -1.918) 3.037 0.763 ( -0.460 0.000 1.646) 1.709 0.772 ( 0.310 0.000 -1.342) 1.378 0.786 ( -2.018 0.000 2.670) 3.347 0.788 ( -0.665 0.000 -0.166) 0.685 0.808 ( -0.900 0.000 1.378) 1.646 0.850 ( -1.146 0.000 0.912) 1.464 0.855 ( -1.816 0.000 1.543) 2.383 0.890 ( 1.084 0.000 0.691) 1.285 0.916 ( 2.509 0.000 -1.378) 2.862 0.928 ( 0.810 0.000 -0.549) 0.978 0.948 ( 2.197 0.000 -3.441) 4.083 0.965 ( 1.166 0.000 -0.730) 1.376 0.982 ( 1.738 0.000 0.617) 1.844 0.994 ( 0.558 0.000 -2.691) 2.748 1.018 ( 1.286 0.000 0.645) 1.439 1.019 ( -0.716 0.000 -0.408) 0.824 1.051 ( 2.547 0.000 -1.792) 3.114 1.073 ( 2.170 0.000 1.276) 2.517 1.104 ( 3.379 0.000 0.007) 3.379 1.106 ( -0.236 0.000 0.327) 0.403 1.129 ( 0.494 0.000 -1.392) 1.477 1.163 ( 0.518 0.000 0.302) 0.599 1.163 ( 0.253 0.000 1.062) 1.092 1.176 ( 4.312 0.000 -2.923) 5.210 1.201 ( -0.367 0.000 2.559) 2.585 1.228 ( -1.455 0.000 2.058) 2.520 1.233 ( -0.839 0.000 0.255) 0.877 1.267 ( -0.996 0.000 0.713) 1.225 1.268 ( 1.279 0.000 1.046) 1.652 1.292 ( -3.013 0.000 -0.409) 3.041 1.297 ( -0.806 0.000 -1.345) 1.568 1.377 ( -0.936 0.000 -3.244) 3.377 1.458 ( 0.431 0.000 0.706) 0.827 1.484 ( 0.912 0.000 -0.512) 1.046 1.495 ( 1.234 0.000 -0.192) 1.249 1.502 ( -0.986 0.000 0.546) 1.127 1.544 ( 0.576 0.000 2.135) 2.211 1.580 ( 0.777 0.000 -0.932) 1.214 1.618 ( 0.264 0.000 0.243) 0.359 1.626 ( -2.186 0.000 0.258) 2.201 1.646 ( -0.665 0.000 -0.845) 1.075 1.646 ( 1.410 0.000 -1.080) 1.776 1.674 ( 0.416 0.000 3.581) 3.605 1.739 ( 0.261 0.000 1.170) 1.198 1.771 ( 1.205 0.000 -1.078) 1.616 1.843 ( -2.850 0.000 -1.172) 3.082 1.877 ( -0.742 0.000 0.513) 0.902 1.899 ( -2.524 0.000 -2.136) 3.307 1.967 ( -2.019 0.000 3.472) 4.016 2.007 ( -2.687 0.000 2.220) 3.485 2.032 ( -1.531 0.000 -0.581) 1.638 2.061 ( -2.032 0.000 -2.852) 3.502 2.096 ( 0.834 0.000 0.135) 0.845 2.111 ( -0.765 0.000 -1.225) 1.444 2.203 ( 0.380 0.000 1.210) 1.268 2.242 ( -0.216 0.000 0.796) 0.825 2.259 ( -0.436 0.000 2.642) 2.678 2.285 ( -0.207 0.000 -0.532) 0.571 2.302 ( 1.646 0.000 0.491) 1.717 2.342 ( -0.198 0.000 -0.469) 0.509 2.384 ( 0.785 0.000 0.421) 0.890 2.397 ( 2.751 0.000 -0.684) 2.835 2.432 ( 0.109 0.000 0.500) 0.512 2.450 ( 0.429 0.000 -2.492) 2.528 2.458 ( -0.434 0.000 -0.215) 0.484 2.500 ( -0.030 0.000 -1.731) 1.731 2.542 ( 0.232 0.000 0.192) 0.301 2.550 ( -0.281 0.000 -0.099) 0.298 2.559 ( -0.368 0.000 1.813) 1.850 2.619 ( -0.924 0.000 0.585) 1.093 2.661 ( -0.436 0.000 0.194) 0.477 2.681 ( -2.345 0.000 -1.679) 2.884 2.701 ( 1.523 0.000 1.003) 1.824 2.769 ( -0.571 0.000 -1.263) 1.386 2.774 ( -0.247 0.000 0.928) 0.961 2.807 ( -1.511 0.000 0.321) 1.545 2.807 ( 0.395 0.000 -0.911) 0.993 2.826 ( -0.878 0.000 -1.766) 1.973 2.842 ( -0.490 0.000 -0.256) 0.553 2.875 ( 0.555 0.000 -0.323) 0.642 2.941 ( 0.170 0.000 1.097) 1.110 2.951 ( -0.363 0.000 -0.772) 0.854 2.958 ( 1.518 0.000 1.873) 2.411 2.968 ( -1.697 0.000 -1.456) 2.236 2.991 ( -0.564 0.000 -0.158) 0.586 3.012 ( -0.883 0.000 -1.547) 1.781 3.018 ( 0.010 0.000 2.217) 2.217 3.055 ( 1.318 0.000 2.547) 2.868 3.085 ( 0.917 0.000 0.475) 1.033 3.155 ( -1.060 0.000 -1.487) 1.826 3.193 ( 0.557 0.000 0.308) 0.637 3.249 ( 0.412 0.000 -0.525) 0.668 3.261 ( -0.628 0.000 0.268) 0.683 3.278 ( -0.749 0.000 -0.603) 0.962 3.309 ( 0.360 0.000 -0.374) 0.519 3.319 ( 0.599 0.000 0.815) 1.011 3.324 ( -0.437 0.000 -0.490) 0.656 3.365 ( 0.179 0.000 0.024) 0.181 3.378 ( -0.037 0.000 1.445) 1.445 3.428 ( 0.112 0.000 0.606) 0.616 3.436 ( 3.015 0.000 2.410) 3.860 3.469 ( -3.829 0.000 -4.382) 5.819 3.499 ( -0.200 0.000 -0.626) 0.657 3.552 ( 0.065 0.000 -0.414) 0.419 3.669 ( -0.498 0.000 -1.319) 1.410 3.723 ( -0.159 0.000 -0.747) 0.764 3.741 ( -0.957 0.000 -0.774) 1.231 3.772 ( -1.630 0.000 -0.372) 1.672 3.780 ( 0.663 0.000 0.298) 0.727 3.795 ( 0.133 0.000 0.950) 0.960 3.816 ( -0.098 0.000 0.109) 0.147 3.888 ( 0.557 0.000 -0.114) 0.569 4.124 ( -0.481 0.000 0.095) 0.490 4.139 ( -0.191 0.000 0.195) 0.273 4.152 ( -0.269 0.000 0.225) 0.351 4.166 ( 0.009 0.000 -0.245) 0.245 4.313 ( 0.021 0.000 -0.349) 0.350 4.314 ( -0.223 0.000 0.273) 0.353 4.317 ( -0.402 0.000 0.101) 0.414 4.319 ( -0.175 0.000 -0.159) 0.236 4.395 ( -0.021 0.000 -0.182) 0.183 4.444 ( -0.037 0.000 0.439) 0.440 4.445 ( -0.479 0.000 -0.658) 0.814 4.465 ( 0.245 0.000 1.105) 1.132 4.561 ( -0.045 0.000 -0.245) 0.249 4.592 ( 0.332 0.000 0.036) 0.334 4.676 ( 0.190 0.000 -0.681) 0.707 4.683 ( 0.307 0.000 -0.011) 0.307 4.824 ( -0.001 0.000 0.002) 0.002 4.844 ( -0.096 0.000 0.986) 0.991 4.846 ( 0.131 0.000 0.596) 0.610 4.877 ( 0.065 0.000 0.711) 0.714 4.995 ( -1.304 0.000 0.352) 1.351 5.008 ( -1.017 0.000 0.403) 1.094 5.041 ( -1.284 0.000 -0.321) 1.323 5.055 ( -0.970 0.000 -0.393) 1.046 5.159 ( 0.159 0.000 -0.171) 0.233 5.174 ( 0.064 0.000 0.135) 0.149 5.183 ( 0.756 0.000 -0.064) 0.758 5.195 ( 0.688 0.000 0.120) 0.699 5.272 ( 1.210 0.000 -0.430) 1.285 5.273 ( 1.382 0.000 -0.540) 1.483 5.287 ( 1.628 0.000 -0.637) 1.748 5.289 ( 1.630 0.000 0.291) 1.656 5.395 ( -0.462 0.000 -0.278) 0.539 5.417 ( -0.914 0.000 -0.811) 1.221 5.424 ( -1.196 0.000 0.381) 1.256 5.426 ( -1.096 0.000 -0.021) 1.096 5.503 ( -0.451 0.000 -0.413) 0.612 5.581 ( 0.489 0.000 0.949) 1.068 5.608 ( 0.129 0.000 0.291) 0.318 5.620 ( -0.920 0.000 -1.762) 1.988 5.640 ( 0.170 0.000 -1.027) 1.041 5.679 ( -0.655 0.000 0.360) 0.748 5.734 ( -0.510 0.000 -0.121) 0.524 5.736 ( -0.327 0.000 0.181) 0.374 5.863 ( -0.173 0.000 0.590) 0.615 5.867 ( 0.359 0.000 -0.417) 0.550 5.878 ( 0.025 0.000 0.197) 0.199 5.881 ( 0.170 0.000 -0.179) 0.247 6.044 ( 0.164 0.000 0.223) 0.277 6.059 ( 0.030 0.000 0.019) 0.035 6.085 ( -0.199 0.000 -0.203) 0.284 6.096 ( -0.213 0.000 0.108) 0.239 6.103 ( -0.113 0.000 -0.104) 0.153 6.121 ( 0.137 0.000 0.189) 0.233 6.139 ( 0.483 0.000 -0.085) 0.490 6.144 ( -0.047 0.000 -0.534) 0.536 6.388 ( -0.249 0.000 0.240) 0.346 6.392 ( -0.051 0.000 -0.292) 0.296 6.581 ( -0.202 0.000 0.146) 0.249 6.744 ( -1.552 0.000 -1.951) 2.493 6.747 ( -0.447 0.000 -0.074) 0.453 6.764 ( 0.402 0.000 1.208) 1.273 6.811 ( 0.466 0.000 0.136) 0.486 6.918 ( 0.259 0.000 -0.253) 0.362 7.230 ( 0.104 0.000 -0.128) 0.165 7.263 ( 0.088 0.000 -0.407) 0.417 7.268 ( 1.086 0.000 1.055) 1.514 7.296 ( 0.502 0.000 0.062) 0.506 7.501 ( 0.207 0.000 -0.056) 0.215 7.518 ( -0.070 0.000 0.185) 0.198 7.537 ( -1.480 0.000 -0.645) 1.615 7.547 ( -1.350 0.000 0.102) 1.354 7.788 ( -0.115 0.000 0.412) 0.428 7.791 ( -0.506 0.000 0.246) 0.563 7.823 ( -0.409 0.000 0.173) 0.444 7.864 ( -0.539 0.000 0.093) 0.547 7.950 ( -0.623 0.000 0.366) 0.723 7.957 ( 0.878 0.000 -0.449) 0.986 7.961 ( -0.706 0.000 0.146) 0.721 8.007 ( -0.216 0.000 -0.935) 0.959 8.039 ( -0.672 0.000 -1.767) 1.890 8.044 ( -1.695 0.000 0.248) 1.713 8.052 ( 0.313 0.000 0.363) 0.480 8.081 ( -0.510 0.000 0.323) 0.603 8.822 ( 0.046 0.000 0.097) 0.107 8.834 ( 0.065 0.000 -0.036) 0.074 8.876 ( 0.137 0.000 0.380) 0.404 8.876 ( 0.339 0.000 -0.594) 0.684 8.982 ( -0.235 0.000 0.740) 0.777 9.012 ( 0.607 0.000 -0.949) 1.127 9.023 ( 0.173 0.000 0.963) 0.978 9.079 ( -0.023 0.000 0.419) 0.420 ======================= Grid point 38 (16/30) ======================= q-point: (-0.50 0.00 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 2.753 0.000 1.400) 3.088 0.268 ( -1.763 0.000 -1.905) 2.596 0.317 ( -0.194 0.000 0.452) 0.492 0.329 ( 0.729 0.000 -0.428) 0.846 0.490 ( 4.756 0.000 1.325) 4.937 0.550 ( -7.225 0.000 -4.608) 8.569 0.575 ( 1.159 0.000 3.839) 4.010 0.649 ( -0.881 0.000 -1.198) 1.487 0.681 ( 11.089 0.000 5.777) 12.503 0.689 ( 1.822 0.000 1.663) 2.466 0.713 ( -2.432 0.000 4.551) 5.160 0.722 ( -1.311 0.000 0.025) 1.312 0.764 ( -3.067 0.000 1.315) 3.337 0.782 ( 6.122 0.000 5.956) 8.541 0.796 ( 0.735 0.000 2.959) 3.049 0.800 ( 0.247 0.000 1.911) 1.927 0.838 ( 1.431 0.000 2.317) 2.724 0.859 ( 0.812 0.000 2.369) 2.504 0.877 ( 0.544 0.000 3.682) 3.722 0.905 ( -1.589 0.000 1.671) 2.306 0.933 ( 0.927 0.000 0.014) 0.927 0.942 ( 0.337 0.000 -2.016) 2.044 0.943 ( 1.731 0.000 -2.345) 2.914 0.962 ( -0.447 0.000 -0.619) 0.764 0.975 ( 1.138 0.000 -1.222) 1.670 1.013 ( -0.125 0.000 0.859) 0.868 1.022 ( 2.100 0.000 -0.492) 2.157 1.026 ( -2.520 0.000 -3.768) 4.533 1.039 ( -0.892 0.000 -1.908) 2.106 1.089 ( -2.126 0.000 -2.933) 3.623 1.123 ( 0.168 0.000 1.101) 1.113 1.126 ( -0.764 0.000 -0.645) 1.000 1.144 ( 1.077 0.000 3.107) 3.289 1.151 ( 0.481 0.000 -0.446) 0.656 1.177 ( -1.510 0.000 -1.197) 1.927 1.200 ( -4.080 0.000 -2.002) 4.544 1.211 ( 1.512 0.000 -0.330) 1.548 1.217 ( -0.266 0.000 -1.038) 1.071 1.231 ( -1.694 0.000 2.611) 3.112 1.239 ( -1.519 0.000 -0.246) 1.539 1.243 ( 2.495 0.000 -0.103) 2.497 1.282 ( 2.529 0.000 -3.086) 3.990 1.337 ( 2.333 0.000 4.250) 4.848 1.371 ( 2.560 0.000 0.694) 2.652 1.409 ( -4.588 0.000 -3.170) 5.576 1.441 ( -1.508 0.000 -2.878) 3.249 1.476 ( -0.186 0.000 0.353) 0.399 1.540 ( 1.961 0.000 0.342) 1.990 1.553 ( -2.667 0.000 -3.450) 4.361 1.574 ( 0.162 0.000 0.383) 0.415 1.595 ( 1.137 0.000 -0.365) 1.194 1.596 ( -2.323 0.000 -1.110) 2.574 1.661 ( 0.913 0.000 -0.382) 0.990 1.664 ( 0.211 0.000 -0.269) 0.342 1.686 ( 1.057 0.000 2.648) 2.851 1.696 ( -3.083 0.000 1.525) 3.440 1.747 ( -3.593 0.000 -3.118) 4.757 1.788 ( 0.223 0.000 -4.082) 4.088 1.811 ( 1.236 0.000 0.309) 1.274 1.860 ( -0.567 0.000 0.754) 0.943 1.890 ( -5.222 0.000 -6.429) 8.283 1.944 ( -3.334 0.000 -6.595) 7.390 2.032 ( 2.175 0.000 4.476) 4.976 2.059 ( 2.344 0.000 5.564) 6.037 2.089 ( 0.559 0.000 -0.688) 0.887 2.128 ( 0.158 0.000 0.096) 0.185 2.216 ( -1.562 0.000 0.158) 1.570 2.227 ( 0.119 0.000 -0.118) 0.168 2.259 ( 0.971 0.000 3.647) 3.774 2.310 ( 1.421 0.000 2.329) 2.728 2.349 ( 0.371 0.000 -1.341) 1.391 2.368 ( -0.995 0.000 -3.936) 4.060 2.391 ( -0.242 0.000 0.194) 0.310 2.413 ( -0.834 0.000 -1.017) 1.315 2.442 ( -0.885 0.000 -0.399) 0.971 2.445 ( 2.059 0.000 0.125) 2.063 2.515 ( 0.349 0.000 1.617) 1.654 2.533 ( 4.614 0.000 4.390) 6.369 2.535 ( -0.837 0.000 -0.670) 1.072 2.556 ( -1.065 0.000 0.432) 1.150 2.566 ( 2.198 0.000 2.159) 3.081 2.639 ( 2.310 0.000 2.840) 3.661 2.648 ( -1.093 0.000 -0.043) 1.094 2.688 ( -3.495 0.000 -4.570) 5.754 2.704 ( 1.993 0.000 3.023) 3.621 2.737 ( 0.183 0.000 -0.495) 0.528 2.770 ( -1.719 0.000 0.798) 1.896 2.787 ( -0.506 0.000 -0.753) 0.907 2.810 ( 2.900 0.000 1.914) 3.474 2.817 ( 0.765 0.000 -0.949) 1.218 2.858 ( 1.767 0.000 1.944) 2.627 2.890 ( 0.052 0.000 -0.881) 0.882 2.910 ( -2.136 0.000 -2.937) 3.631 2.921 ( -1.431 0.000 -2.038) 2.491 2.946 ( -0.566 0.000 0.536) 0.780 2.959 ( -1.307 0.000 -1.932) 2.333 3.021 ( 0.354 0.000 2.346) 2.373 3.026 ( 0.119 0.000 1.388) 1.393 3.030 ( 2.661 0.000 3.700) 4.557 3.094 ( 0.280 0.000 0.254) 0.378 3.101 ( -0.056 0.000 0.617) 0.620 3.135 ( 0.377 0.000 -0.976) 1.047 3.195 ( -1.678 0.000 -3.096) 3.521 3.219 ( -0.835 0.000 -0.768) 1.134 3.256 ( 0.047 0.000 0.854) 0.855 3.270 ( 2.065 0.000 1.572) 2.596 3.292 ( -0.751 0.000 -1.884) 2.029 3.324 ( 0.108 0.000 0.912) 0.918 3.325 ( -3.089 0.000 -2.233) 3.812 3.345 ( 1.177 0.000 1.320) 1.768 3.360 ( -0.939 0.000 -1.458) 1.734 3.385 ( -1.419 0.000 -2.368) 2.760 3.449 ( 1.271 0.000 1.718) 2.137 3.505 ( -2.077 0.000 -3.290) 3.891 3.516 ( 0.951 0.000 1.059) 1.423 3.521 ( 1.960 0.000 1.311) 2.358 3.690 ( 2.044 0.000 1.343) 2.446 3.712 ( -0.265 0.000 -0.957) 0.993 3.712 ( -0.199 0.000 -1.026) 1.045 3.731 ( -1.688 0.000 -1.769) 2.445 3.807 ( 0.204 0.000 0.684) 0.714 3.809 ( 0.566 0.000 0.651) 0.862 3.830 ( 1.083 0.000 1.754) 2.061 3.874 ( -1.116 0.000 -1.701) 2.035 4.127 ( 0.434 0.000 0.765) 0.879 4.144 ( 0.291 0.000 0.459) 0.543 4.144 ( -0.411 0.000 -0.432) 0.596 4.156 ( -0.393 0.000 -0.734) 0.832 4.304 ( -0.393 0.000 -0.073) 0.400 4.309 ( 0.182 0.000 -0.454) 0.489 4.320 ( 0.042 0.000 0.353) 0.356 4.322 ( 0.235 0.000 0.186) 0.299 4.395 ( 0.246 0.000 0.206) 0.321 4.413 ( -0.970 0.000 -1.395) 1.699 4.454 ( 0.392 0.000 0.952) 1.029 4.471 ( -0.371 0.000 -0.291) 0.471 4.587 ( 1.640 0.000 2.403) 2.909 4.624 ( 1.478 0.000 2.002) 2.488 4.649 ( -1.330 0.000 -2.545) 2.871 4.667 ( -1.148 0.000 -1.590) 1.961 4.836 ( 0.907 0.000 0.695) 1.143 4.842 ( -0.780 0.000 0.222) 0.811 4.863 ( 0.608 0.000 1.393) 1.520 4.880 ( -0.387 0.000 0.132) 0.409 4.994 ( 0.402 0.000 1.091) 1.163 5.009 ( 0.276 0.000 1.075) 1.110 5.020 ( -0.355 0.000 -0.983) 1.045 5.036 ( -0.317 0.000 -1.085) 1.130 5.172 ( 0.706 0.000 0.922) 1.161 5.180 ( 0.126 0.000 0.579) 0.593 5.190 ( 0.117 0.000 -0.165) 0.203 5.196 ( -0.359 0.000 -0.697) 0.784 5.275 ( -0.320 0.000 -0.522) 0.612 5.280 ( 0.013 0.000 -0.677) 0.677 5.298 ( -0.609 0.000 -0.385) 0.721 5.300 ( 0.477 0.000 -0.451) 0.656 5.393 ( 0.368 0.000 0.223) 0.430 5.401 ( -0.785 0.000 -0.387) 0.876 5.409 ( 0.536 0.000 -0.242) 0.588 5.411 ( -0.657 0.000 -0.348) 0.744 5.511 ( 1.027 0.000 1.066) 1.480 5.550 ( -1.767 0.000 -2.101) 2.745 5.609 ( 0.369 0.000 1.265) 1.318 5.638 ( 0.543 0.000 -0.958) 1.101 5.661 ( 2.017 0.000 1.887) 2.762 5.680 ( 0.602 0.000 0.962) 1.135 5.704 ( -1.327 0.000 -1.881) 2.302 5.712 ( -1.531 0.000 -1.577) 2.198 5.863 ( -0.394 0.000 0.419) 0.575 5.871 ( 0.453 0.000 -0.285) 0.535 5.880 ( -0.125 0.000 0.182) 0.220 5.883 ( 0.123 0.000 -0.048) 0.132 6.060 ( 0.552 0.000 1.081) 1.214 6.072 ( 0.593 0.000 1.027) 1.186 6.079 ( -0.137 0.000 -0.519) 0.537 6.095 ( -0.393 0.000 -0.750) 0.847 6.102 ( 0.449 0.000 0.738) 0.864 6.126 ( -0.703 0.000 -1.229) 1.416 6.128 ( 0.188 0.000 0.564) 0.594 6.142 ( -0.005 0.000 -0.527) 0.527 6.385 ( -0.181 0.000 0.165) 0.245 6.390 ( 0.156 0.000 -0.242) 0.288 6.606 ( 1.555 0.000 2.283) 2.763 6.674 ( -2.267 0.000 -3.509) 4.178 6.746 ( 0.239 0.000 0.349) 0.423 6.761 ( -0.400 0.000 -0.866) 0.954 6.855 ( 1.589 0.000 2.530) 2.987 6.903 ( -0.909 0.000 -1.617) 1.855 7.238 ( 0.606 0.000 0.670) 0.904 7.252 ( -0.635 0.000 -0.580) 0.860 7.292 ( 0.315 0.000 0.895) 0.948 7.303 ( -0.007 0.000 -0.060) 0.060 7.511 ( 0.112 0.000 0.407) 0.422 7.518 ( -0.009 0.000 -0.036) 0.037 7.522 ( 0.797 0.000 -0.135) 0.808 7.524 ( -0.861 0.000 -0.469) 0.980 7.787 ( -0.202 0.000 0.220) 0.299 7.788 ( 0.094 0.000 0.100) 0.138 7.831 ( 0.633 0.000 0.939) 1.133 7.850 ( -0.599 0.000 -0.637) 0.875 7.949 ( -0.281 0.000 0.619) 0.680 7.959 ( 0.268 0.000 0.869) 0.910 7.970 ( 1.220 0.000 -1.197) 1.709 7.983 ( -1.015 0.000 -0.959) 1.397 8.022 ( -1.056 0.000 -0.028) 1.057 8.029 ( 0.696 0.000 -0.691) 0.980 8.064 ( 0.570 0.000 0.506) 0.762 8.073 ( -0.498 0.000 -0.261) 0.562 8.824 ( 0.034 0.000 0.220) 0.222 8.831 ( -0.102 0.000 -0.275) 0.293 8.873 ( -0.531 0.000 0.031) 0.532 8.879 ( 0.488 0.000 -0.337) 0.593 8.985 ( -0.276 0.000 0.910) 0.951 9.010 ( 0.305 0.000 -1.093) 1.134 9.041 ( 0.487 0.000 1.581) 1.654 9.069 ( -0.660 0.000 -0.731) 0.985 ======================= Grid point 39 (17/30) ======================= q-point: (-0.33 0.00 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( -3.146 0.000 -3.417) 4.645 0.251 ( -0.989 0.000 1.706) 1.972 0.320 ( 0.056 0.000 0.352) 0.357 0.324 ( -0.400 0.000 -1.609) 1.658 0.379 ( -8.219 0.000 -0.316) 8.226 0.534 ( -9.588 0.000 0.368) 9.595 0.575 ( -3.024 0.000 -3.888) 4.926 0.590 ( -7.387 0.000 -5.775) 9.376 0.649 ( 1.953 0.000 5.433) 5.773 0.662 ( -1.975 0.000 -1.832) 2.694 0.702 ( -2.725 0.000 1.056) 2.923 0.719 ( -3.440 0.000 0.319) 3.455 0.786 ( -1.379 0.000 -0.389) 1.433 0.804 ( -3.995 0.000 -5.296) 6.633 0.805 ( -0.075 0.000 -2.027) 2.028 0.827 ( 0.876 0.000 0.484) 1.001 0.836 ( 0.090 0.000 1.065) 1.069 0.863 ( -3.721 0.000 0.717) 3.790 0.879 ( -0.726 0.000 1.371) 1.552 0.896 ( -1.305 0.000 2.319) 2.661 0.915 ( 1.541 0.000 -3.803) 4.103 0.935 ( -1.949 0.000 -3.424) 3.940 0.946 ( -0.807 0.000 -1.591) 1.784 0.963 ( -0.006 0.000 -2.595) 2.595 0.971 ( -0.077 0.000 -1.779) 1.781 0.990 ( -3.326 0.000 1.110) 3.506 1.003 ( -0.060 0.000 -0.970) 0.972 1.012 ( 1.049 0.000 1.276) 1.652 1.035 ( 0.363 0.000 -0.034) 0.365 1.085 ( -3.717 0.000 0.196) 3.722 1.087 ( 3.323 0.000 3.899) 5.123 1.096 ( -2.634 0.000 1.482) 3.022 1.118 ( -1.033 0.000 -1.552) 1.864 1.130 ( -0.336 0.000 2.092) 2.119 1.181 ( -2.086 0.000 0.895) 2.270 1.201 ( -0.308 0.000 -1.166) 1.206 1.202 ( 0.885 0.000 -2.698) 2.840 1.213 ( 1.071 0.000 1.266) 1.658 1.233 ( 3.591 0.000 2.158) 4.189 1.251 ( 0.451 0.000 0.605) 0.755 1.287 ( 1.893 0.000 -1.021) 2.151 1.317 ( 1.857 0.000 -1.868) 2.634 1.352 ( -1.258 0.000 -1.603) 2.038 1.373 ( -1.052 0.000 -3.634) 3.783 1.429 ( 2.834 0.000 4.581) 5.387 1.462 ( 4.480 0.000 2.432) 5.097 1.479 ( -0.895 0.000 -1.398) 1.660 1.517 ( -0.125 0.000 0.205) 0.241 1.551 ( 3.638 0.000 4.271) 5.610 1.572 ( -0.662 0.000 -0.876) 1.098 1.577 ( -2.317 0.000 2.982) 3.776 1.597 ( 0.262 0.000 -1.393) 1.418 1.640 ( 0.867 0.000 -1.120) 1.417 1.643 ( -1.718 0.000 0.086) 1.721 1.713 ( 0.682 0.000 8.206) 8.234 1.714 ( 1.497 0.000 -0.644) 1.629 1.759 ( -0.474 0.000 -1.917) 1.975 1.774 ( 0.093 0.000 -0.483) 0.492 1.821 ( 3.899 0.000 1.329) 4.120 1.887 ( 1.032 0.000 -0.790) 1.300 1.904 ( 5.278 0.000 6.119) 8.081 1.929 ( 4.755 0.000 5.887) 7.567 2.069 ( -0.460 0.000 -4.156) 4.182 2.070 ( -0.162 0.000 0.535) 0.559 2.089 ( -1.046 0.000 -3.233) 3.398 2.126 ( 0.066 0.000 0.390) 0.396 2.226 ( 1.064 0.000 0.909) 1.399 2.244 ( 1.765 0.000 1.607) 2.387 2.307 ( -0.718 0.000 -4.588) 4.644 2.320 ( -1.555 0.000 -3.251) 3.603 2.320 ( 1.393 0.000 2.077) 2.501 2.342 ( 0.532 0.000 2.171) 2.236 2.391 ( -0.158 0.000 -0.595) 0.616 2.393 ( -1.293 0.000 1.933) 2.326 2.424 ( -1.237 0.000 -0.810) 1.479 2.460 ( 0.537 0.000 -0.467) 0.711 2.511 ( -1.779 0.000 -1.134) 2.110 2.512 ( -4.575 0.000 -5.353) 7.042 2.525 ( -0.128 0.000 1.472) 1.478 2.548 ( -2.250 0.000 -1.393) 2.646 2.576 ( 0.784 0.000 0.242) 0.820 2.646 ( -0.940 0.000 -1.778) 2.011 2.650 ( -0.256 0.000 0.523) 0.582 2.697 ( 2.869 0.000 3.256) 4.339 2.712 ( -1.690 0.000 -3.146) 3.571 2.717 ( -0.494 0.000 0.178) 0.525 2.789 ( 1.276 0.000 0.675) 1.443 2.793 ( 0.771 0.000 1.567) 1.746 2.808 ( -0.825 0.000 -2.057) 2.216 2.816 ( 0.010 0.000 -1.847) 1.847 2.860 ( -1.039 0.000 -2.426) 2.639 2.870 ( -0.854 0.000 0.203) 0.877 2.921 ( 1.602 0.000 2.069) 2.617 2.923 ( 2.880 0.000 2.135) 3.585 2.958 ( 1.100 0.000 1.517) 1.874 2.963 ( 0.997 0.000 0.690) 1.212 3.027 ( -1.182 0.000 -0.780) 1.416 3.037 ( -0.030 0.000 -0.739) 0.740 3.038 ( -1.656 0.000 -2.814) 3.265 3.089 ( -0.460 0.000 -0.010) 0.460 3.111 ( -0.772 0.000 -1.441) 1.634 3.123 ( 0.943 0.000 1.263) 1.576 3.184 ( 1.125 0.000 2.122) 2.402 3.219 ( 0.258 0.000 0.468) 0.534 3.250 ( -1.368 0.000 -0.170) 1.379 3.278 ( 0.807 0.000 -1.317) 1.544 3.280 ( 0.722 0.000 1.780) 1.921 3.334 ( -0.813 0.000 -0.747) 1.104 3.342 ( 0.387 0.000 1.827) 1.867 3.344 ( -0.822 0.000 -1.994) 2.157 3.358 ( 3.650 0.000 2.616) 4.491 3.380 ( 1.240 0.000 2.136) 2.470 3.453 ( -0.802 0.000 -1.654) 1.838 3.502 ( 1.353 0.000 1.663) 2.144 3.513 ( -0.892 0.000 -1.044) 1.373 3.518 ( -1.067 0.000 -1.952) 2.225 3.681 ( -1.446 0.000 -1.960) 2.436 3.712 ( 0.337 0.000 -0.039) 0.339 3.712 ( 0.878 0.000 0.281) 0.921 3.749 ( 2.659 0.000 1.367) 2.990 3.807 ( -0.731 0.000 -0.593) 0.942 3.813 ( 0.167 0.000 -0.410) 0.443 3.833 ( -1.096 0.000 -1.587) 1.929 3.867 ( 0.686 0.000 1.648) 1.785 4.133 ( -0.068 0.000 -0.648) 0.652 4.146 ( 0.703 0.000 0.815) 1.076 4.147 ( 0.039 0.000 -0.371) 0.373 4.156 ( 0.480 0.000 0.387) 0.617 4.303 ( 0.052 0.000 0.319) 0.323 4.313 ( 0.486 0.000 -0.100) 0.496 4.322 ( -0.027 0.000 -0.132) 0.135 4.326 ( 0.161 0.000 -0.226) 0.278 4.394 ( -0.291 0.000 -0.343) 0.450 4.413 ( 1.103 0.000 1.318) 1.719 4.459 ( -0.297 0.000 -0.688) 0.750 4.472 ( 0.526 0.000 0.840) 0.992 4.593 ( -1.684 0.000 -2.883) 3.338 4.620 ( -1.983 0.000 -1.980) 2.803 4.640 ( 1.301 0.000 2.271) 2.617 4.663 ( 0.814 0.000 1.550) 1.751 4.829 ( -0.464 0.000 -0.173) 0.495 4.860 ( 1.100 0.000 0.025) 1.101 4.865 ( -0.835 0.000 -0.621) 1.040 4.885 ( 0.556 0.000 0.595) 0.815 5.013 ( 0.813 0.000 -1.087) 1.358 5.024 ( 1.707 0.000 1.022) 1.990 5.027 ( 0.495 0.000 -1.084) 1.192 5.036 ( 1.506 0.000 1.122) 1.878 5.172 ( -0.941 0.000 -1.463) 1.740 5.180 ( -0.586 0.000 0.317) 0.666 5.183 ( -0.504 0.000 -0.486) 0.700 5.190 ( 0.053 0.000 0.702) 0.704 5.258 ( -1.493 0.000 0.649) 1.628 5.264 ( -1.148 0.000 -0.223) 1.169 5.271 ( -2.021 0.000 0.264) 2.038 5.294 ( -0.873 0.000 -0.209) 0.898 5.391 ( -0.170 0.000 -0.018) 0.171 5.399 ( -0.420 0.000 0.040) 0.422 5.414 ( 1.442 0.000 0.701) 1.603 5.426 ( 1.259 0.000 0.084) 1.262 5.511 ( -0.833 0.000 -1.203) 1.463 5.553 ( 1.754 0.000 2.170) 2.790 5.618 ( -0.242 0.000 0.697) 0.738 5.623 ( -0.822 0.000 -2.043) 2.202 5.655 ( -1.962 0.000 -2.509) 3.185 5.686 ( 0.351 0.000 -0.339) 0.488 5.707 ( 1.783 0.000 1.675) 2.446 5.722 ( 1.862 0.000 1.411) 2.336 5.859 ( -0.393 0.000 0.284) 0.485 5.876 ( 0.355 0.000 -0.320) 0.478 5.877 ( -0.290 0.000 0.102) 0.307 5.883 ( -0.074 0.000 -0.133) 0.153 6.065 ( -0.694 0.000 -1.167) 1.358 6.076 ( -0.689 0.000 -1.360) 1.524 6.077 ( 0.437 0.000 0.544) 0.698 6.092 ( 0.522 0.000 0.948) 1.082 6.106 ( -0.219 0.000 -0.760) 0.791 6.122 ( 0.592 0.000 1.099) 1.248 6.132 ( -0.344 0.000 -0.737) 0.814 6.133 ( -0.238 0.000 0.443) 0.503 6.385 ( 0.003 0.000 0.218) 0.218 6.393 ( 0.311 0.000 -0.195) 0.367 6.612 ( -1.266 0.000 -2.508) 2.809 6.671 ( 2.619 0.000 3.384) 4.279 6.750 ( 0.021 0.000 -0.525) 0.525 6.762 ( 0.889 0.000 0.728) 1.149 6.857 ( -2.080 0.000 -2.577) 3.311 6.895 ( 0.747 0.000 1.657) 1.818 7.234 ( -0.856 0.000 -0.353) 0.926 7.256 ( 0.652 0.000 0.162) 0.672 7.291 ( -0.852 0.000 -0.686) 1.094 7.295 ( -0.512 0.000 0.331) 0.609 7.505 ( -0.551 0.000 -0.295) 0.625 7.517 ( 0.377 0.000 0.337) 0.506 7.529 ( 0.990 0.000 -0.058) 0.992 7.549 ( 1.791 0.000 -0.221) 1.804 7.791 ( 0.490 0.000 0.510) 0.708 7.794 ( 0.282 0.000 -0.046) 0.286 7.836 ( -0.107 0.000 -0.848) 0.855 7.856 ( 1.030 0.000 0.873) 1.350 7.949 ( -0.040 0.000 0.125) 0.131 7.962 ( -0.374 0.000 -0.458) 0.591 7.974 ( 0.601 0.000 -1.559) 1.671 7.980 ( 0.619 0.000 1.257) 1.401 8.008 ( -0.606 0.000 0.411) 0.732 8.044 ( 1.181 0.000 0.142) 1.190 8.060 ( -0.551 0.000 -0.327) 0.640 8.081 ( 0.866 0.000 0.247) 0.901 8.827 ( -0.012 0.000 -0.254) 0.254 8.828 ( 0.038 0.000 0.329) 0.331 8.863 ( -0.757 0.000 0.395) 0.854 8.885 ( 0.410 0.000 -0.316) 0.517 8.988 ( -0.499 0.000 0.984) 1.103 9.004 ( 0.192 0.000 -1.056) 1.073 9.049 ( -0.541 0.000 -1.074) 1.202 9.068 ( 0.817 0.000 1.697) 1.883 ======================= Grid point 40 (18/30) ======================= q-point: (-0.17 0.00 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.131 ( -0.314 0.000 -1.999) 2.024 0.137 ( -4.601 0.000 3.248) 5.632 0.251 ( -6.946 0.000 5.755) 9.021 0.264 ( -4.009 0.000 1.140) 4.168 0.322 ( 0.415 0.000 -0.455) 0.615 0.340 ( -0.431 0.000 -0.072) 0.437 0.506 ( -12.261 0.000 11.615) 16.889 0.510 ( 0.309 0.000 -2.482) 2.501 0.577 ( -4.267 0.000 0.465) 4.293 0.623 ( -0.765 0.000 -0.903) 1.184 0.655 ( -2.856 0.000 2.819) 4.013 0.739 ( -0.881 0.000 -3.155) 3.276 0.751 ( -3.565 0.000 2.957) 4.632 0.763 ( -0.463 0.000 -0.087) 0.471 0.788 ( -0.336 0.000 -2.138) 2.164 0.799 ( -2.529 0.000 0.016) 2.529 0.827 ( 0.523 0.000 1.512) 1.600 0.845 ( 0.312 0.000 0.435) 0.536 0.874 ( -0.450 0.000 -2.816) 2.852 0.882 ( -0.192 0.000 -0.538) 0.572 0.894 ( -0.442 0.000 -0.453) 0.633 0.906 ( -0.187 0.000 0.302) 0.355 0.908 ( 1.489 0.000 -2.913) 3.272 0.942 ( -1.019 0.000 -0.347) 1.076 0.958 ( 1.432 0.000 0.073) 1.434 0.989 ( 0.701 0.000 0.587) 0.914 0.993 ( -1.934 0.000 1.067) 2.209 1.009 ( -0.739 0.000 -0.581) 0.940 1.014 ( -1.482 0.000 -0.679) 1.630 1.045 ( 0.428 0.000 -0.242) 0.492 1.092 ( 0.080 0.000 1.740) 1.742 1.102 ( -0.207 0.000 0.403) 0.453 1.121 ( 0.112 0.000 0.330) 0.349 1.141 ( -1.370 0.000 -3.997) 4.225 1.160 ( 0.891 0.000 -0.144) 0.903 1.183 ( 0.578 0.000 -1.275) 1.400 1.217 ( 0.600 0.000 0.951) 1.124 1.234 ( -0.593 0.000 0.311) 0.669 1.270 ( -0.349 0.000 0.109) 0.366 1.274 ( -0.132 0.000 -2.542) 2.546 1.277 ( 2.388 0.000 1.002) 2.590 1.316 ( -0.189 0.000 -1.232) 1.246 1.334 ( 1.573 0.000 0.439) 1.633 1.361 ( 0.723 0.000 1.288) 1.478 1.465 ( -0.940 0.000 -0.265) 0.977 1.465 ( -0.125 0.000 -1.855) 1.859 1.507 ( 1.171 0.000 -1.435) 1.853 1.519 ( 0.084 0.000 -0.768) 0.772 1.567 ( -0.276 0.000 -1.255) 1.285 1.575 ( -1.459 0.000 0.045) 1.460 1.585 ( 1.430 0.000 -0.054) 1.431 1.632 ( -0.320 0.000 1.791) 1.819 1.647 ( 0.293 0.000 -0.653) 0.716 1.656 ( 1.684 0.000 1.002) 1.960 1.716 ( -0.529 0.000 -3.313) 3.355 1.732 ( -2.564 0.000 -1.738) 3.097 1.739 ( -1.655 0.000 -0.357) 1.693 1.874 ( 5.205 0.000 5.141) 7.316 1.897 ( 1.189 0.000 0.282) 1.222 1.922 ( 0.894 0.000 -0.588) 1.071 2.036 ( 0.794 0.000 1.865) 2.027 2.051 ( 2.701 0.000 -1.379) 3.033 2.058 ( 1.454 0.000 2.100) 2.554 2.082 ( 3.583 0.000 0.752) 3.661 2.088 ( -0.114 0.000 -0.068) 0.133 2.110 ( 1.024 0.000 1.121) 1.518 2.214 ( -2.955 0.000 -4.315) 5.230 2.262 ( 1.486 0.000 -0.803) 1.689 2.274 ( 0.336 0.000 0.882) 0.944 2.280 ( -0.341 0.000 0.052) 0.345 2.301 ( -4.591 0.000 -5.482) 7.151 2.332 ( 2.379 0.000 3.278) 4.050 2.353 ( -1.989 0.000 -0.959) 2.208 2.386 ( 0.155 0.000 -0.470) 0.495 2.393 ( -0.765 0.000 2.948) 3.046 2.445 ( 0.181 0.000 -1.030) 1.045 2.461 ( 0.032 0.000 0.251) 0.253 2.480 ( 0.222 0.000 1.778) 1.792 2.532 ( -0.418 0.000 0.771) 0.877 2.534 ( -0.548 0.000 1.102) 1.231 2.583 ( 0.278 0.000 -0.767) 0.816 2.639 ( 0.463 0.000 -0.335) 0.572 2.669 ( 0.377 0.000 -0.018) 0.378 2.673 ( 2.496 0.000 5.457) 6.000 2.688 ( -1.081 0.000 0.847) 1.373 2.750 ( -0.301 0.000 -0.551) 0.628 2.809 ( 0.983 0.000 -1.366) 1.683 2.814 ( 0.666 0.000 1.678) 1.806 2.819 ( 1.526 0.000 -0.378) 1.573 2.830 ( 0.977 0.000 0.981) 1.385 2.846 ( 0.593 0.000 0.069) 0.597 2.857 ( -0.476 0.000 0.665) 0.818 2.945 ( -0.566 0.000 -0.208) 0.603 2.948 ( -0.508 0.000 -1.287) 1.384 2.956 ( -0.436 0.000 -0.443) 0.621 2.989 ( 0.008 0.000 1.145) 1.145 2.995 ( 1.828 0.000 0.088) 1.830 3.016 ( 0.074 0.000 -0.818) 0.821 3.030 ( -0.819 0.000 -0.733) 1.099 3.065 ( -1.163 0.000 -2.142) 2.438 3.079 ( -0.948 0.000 -1.044) 1.411 3.150 ( 1.027 0.000 1.851) 2.117 3.185 ( -0.664 0.000 -0.350) 0.751 3.226 ( -0.927 0.000 0.726) 1.178 3.265 ( -0.137 0.000 0.782) 0.794 3.290 ( 0.936 0.000 -0.491) 1.057 3.305 ( 0.362 0.000 0.432) 0.564 3.324 ( 0.294 0.000 -0.193) 0.352 3.330 ( 0.350 0.000 -0.315) 0.471 3.353 ( -0.790 0.000 0.265) 0.833 3.394 ( -0.581 0.000 -1.562) 1.667 3.422 ( -1.919 0.000 -2.003) 2.774 3.440 ( 0.146 0.000 -0.913) 0.924 3.477 ( 3.577 0.000 4.318) 5.607 3.494 ( 0.290 0.000 0.675) 0.735 3.548 ( 0.083 0.000 0.312) 0.323 3.660 ( 0.456 0.000 1.124) 1.213 3.717 ( 0.095 0.000 0.489) 0.498 3.749 ( 1.298 0.000 1.008) 1.644 3.775 ( -0.418 0.000 -0.392) 0.573 3.795 ( 1.416 0.000 0.286) 1.445 3.813 ( 0.440 0.000 -0.830) 0.939 3.818 ( 0.047 0.000 -0.048) 0.067 3.877 ( -0.401 0.000 0.155) 0.430 4.133 ( 0.294 0.000 -0.104) 0.312 4.149 ( 0.477 0.000 -0.234) 0.532 4.161 ( -0.145 0.000 0.123) 0.190 4.162 ( 0.494 0.000 -0.185) 0.527 4.309 ( 0.052 0.000 0.363) 0.367 4.320 ( 0.142 0.000 0.089) 0.167 4.321 ( 0.219 0.000 -0.088) 0.237 4.325 ( 0.243 0.000 -0.190) 0.309 4.392 ( -0.039 0.000 0.158) 0.163 4.446 ( 0.510 0.000 0.491) 0.708 4.451 ( 0.104 0.000 -0.456) 0.468 4.475 ( -0.153 0.000 -0.812) 0.827 4.561 ( 0.156 0.000 0.017) 0.157 4.583 ( -0.438 0.000 0.228) 0.494 4.663 ( -0.196 0.000 0.512) 0.548 4.676 ( -0.266 0.000 0.144) 0.302 4.826 ( 0.174 0.000 -0.048) 0.180 4.847 ( -0.475 0.000 -0.308) 0.567 4.863 ( 0.141 0.000 -1.303) 1.310 4.890 ( 0.120 0.000 -0.943) 0.951 5.027 ( 1.542 0.000 -0.368) 1.586 5.034 ( 1.209 0.000 -0.313) 1.249 5.065 ( 1.804 0.000 0.401) 1.848 5.073 ( 1.489 0.000 0.387) 1.538 5.156 ( 0.130 0.000 0.198) 0.237 5.168 ( -0.693 0.000 0.014) 0.693 5.173 ( -0.133 0.000 0.004) 0.134 5.182 ( -1.012 0.000 -0.357) 1.073 5.234 ( -1.841 0.000 0.672) 1.960 5.241 ( -2.112 0.000 0.772) 2.248 5.242 ( -1.351 0.000 0.351) 1.396 5.268 ( -1.306 0.000 -0.596) 1.436 5.394 ( 0.135 0.000 0.601) 0.616 5.422 ( 2.345 0.000 2.923) 3.748 5.443 ( 0.852 0.000 0.100) 0.857 5.451 ( 1.312 0.000 0.093) 1.316 5.506 ( 0.883 0.000 0.960) 1.304 5.583 ( -0.836 0.000 -1.284) 1.532 5.606 ( -0.581 0.000 -0.607) 0.840 5.615 ( 1.365 0.000 2.171) 2.565 5.622 ( -0.098 0.000 1.010) 1.015 5.697 ( 0.651 0.000 -0.289) 0.712 5.745 ( 0.634 0.000 -0.034) 0.635 5.748 ( 0.414 0.000 -0.396) 0.573 5.856 ( -0.223 0.000 0.370) 0.432 5.872 ( -0.287 0.000 -0.762) 0.814 5.874 ( -0.216 0.000 0.220) 0.308 5.880 ( 0.050 0.000 -0.030) 0.058 6.044 ( -0.140 0.000 -0.227) 0.266 6.059 ( 0.339 0.000 0.383) 0.511 6.086 ( 0.183 0.000 0.179) 0.256 6.103 ( 0.333 0.000 -0.127) 0.356 6.104 ( 0.115 0.000 0.211) 0.240 6.121 ( -0.170 0.000 -0.271) 0.320 6.128 ( -0.582 0.000 0.038) 0.583 6.136 ( -0.026 0.000 0.573) 0.573 6.389 ( 0.036 0.000 0.290) 0.292 6.396 ( 0.245 0.000 -0.244) 0.346 6.589 ( 0.361 0.000 -0.196) 0.411 6.745 ( 1.330 0.000 1.787) 2.228 6.752 ( 0.306 0.000 0.172) 0.352 6.769 ( -0.573 0.000 -0.914) 1.079 6.806 ( -0.260 0.000 -0.142) 0.296 6.910 ( -0.205 0.000 0.223) 0.302 7.215 ( -1.044 0.000 0.141) 1.054 7.257 ( -0.128 0.000 0.107) 0.167 7.262 ( -1.294 0.000 -1.289) 1.826 7.289 ( -0.289 0.000 0.160) 0.330 7.500 ( 0.067 0.000 0.065) 0.094 7.525 ( 0.264 0.000 -0.172) 0.315 7.551 ( 1.020 0.000 0.654) 1.212 7.572 ( 1.123 0.000 -0.060) 1.125 7.793 ( -0.138 0.000 -0.291) 0.322 7.810 ( 0.820 0.000 -0.518) 0.970 7.835 ( 0.590 0.000 -0.136) 0.605 7.875 ( 0.442 0.000 -0.088) 0.450 7.952 ( 0.435 0.000 -0.122) 0.451 7.961 ( 0.119 0.000 0.271) 0.296 7.973 ( 0.486 0.000 -0.502) 0.698 7.994 ( -0.263 0.000 0.845) 0.885 8.027 ( 1.758 0.000 3.224) 3.672 8.052 ( 0.411 0.000 0.391) 0.567 8.065 ( 0.659 0.000 -0.024) 0.660 8.100 ( 1.144 0.000 0.299) 1.183 8.825 ( 0.019 0.000 -0.422) 0.423 8.830 ( -0.117 0.000 0.175) 0.211 8.858 ( -0.598 0.000 0.809) 1.006 8.885 ( 0.151 0.000 -0.823) 0.837 8.986 ( -0.664 0.000 0.907) 1.124 9.000 ( 0.404 0.000 -0.875) 0.963 9.034 ( -0.050 0.000 -0.849) 0.850 9.085 ( -0.536 0.000 -1.128) 1.249 ======================= Grid point 41 (19/30) ======================= q-point: ( 0.00 0.25 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( -3.494 1.021 0.893) 3.748 0.158 ( 1.870 0.630 -0.702) 2.095 0.307 ( -0.948 2.915 4.609) 5.536 0.341 ( 0.378 0.731 -0.685) 1.070 0.362 ( -0.287 2.885 4.968) 5.753 0.406 ( -6.836 7.012 7.869) 12.563 0.501 ( -1.994 0.205 -1.193) 2.333 0.542 ( 5.592 1.471 1.768) 6.047 0.578 ( -1.138 -3.219 4.342) 5.524 0.641 ( 4.775 4.342 1.399) 6.604 0.658 ( 0.121 0.618 1.859) 1.963 0.682 ( 1.310 -2.414 -1.621) 3.189 0.733 ( 0.330 -3.604 1.810) 4.047 0.760 ( 1.337 -2.109 -0.840) 2.634 0.773 ( -0.527 0.777 3.861) 3.974 0.802 ( 0.971 -0.275 3.251) 3.404 0.826 ( -1.066 -0.355 1.692) 2.031 0.847 ( 0.760 -3.256 -0.887) 3.459 0.854 ( 1.664 0.738 2.623) 3.193 0.869 ( 0.842 1.479 0.817) 1.888 0.902 ( 2.213 -0.208 -2.605) 3.425 0.913 ( 2.201 -0.236 0.430) 2.255 0.926 ( 0.857 0.465 -0.989) 1.389 0.944 ( 0.688 0.313 1.086) 1.324 0.949 ( -0.740 -0.719 -0.327) 1.082 0.967 ( -0.521 0.387 -1.152) 1.322 0.987 ( -0.429 -0.552 1.327) 1.500 1.008 ( 0.490 -0.736 0.368) 0.958 1.023 ( 2.185 -0.196 2.399) 3.251 1.045 ( 0.142 -0.527 2.649) 2.704 1.074 ( 0.030 -0.840 -0.151) 0.854 1.096 ( 0.891 -0.735 -0.696) 1.348 1.116 ( -0.466 -1.273 0.183) 1.368 1.124 ( 0.064 -0.657 -1.126) 1.306 1.161 ( -0.867 -0.933 -0.807) 1.507 1.197 ( 0.952 1.909 0.636) 2.226 1.207 ( -0.875 -2.210 -3.616) 4.327 1.231 ( -2.032 2.286 -3.581) 4.709 1.238 ( -0.932 0.853 -0.923) 1.565 1.278 ( 1.394 0.353 -0.895) 1.694 1.298 ( -0.768 -0.553 0.474) 1.058 1.314 ( -0.515 -1.175 -1.886) 2.281 1.366 ( 2.298 0.290 3.168) 3.924 1.409 ( 1.970 -2.448 1.804) 3.624 1.435 ( -2.672 -0.836 -0.811) 2.915 1.441 ( -0.025 -2.779 -0.268) 2.792 1.453 ( -0.713 0.687 -3.559) 3.694 1.479 ( -1.576 -0.091 -1.810) 2.402 1.493 ( -3.129 0.154 -3.216) 4.490 1.521 ( -1.847 -1.173 -4.834) 5.306 1.535 ( 0.041 -0.997 0.061) 1.000 1.581 ( -1.167 -0.360 -3.244) 3.466 1.651 ( -0.286 3.170 -0.351) 3.202 1.681 ( -2.368 2.566 -0.851) 3.593 1.721 ( 2.433 -0.346 2.958) 3.846 1.727 ( 1.018 0.885 2.291) 2.658 1.750 ( -1.323 0.787 0.151) 1.547 1.797 ( -2.609 -1.714 -1.431) 3.434 1.898 ( 0.225 0.596 -0.440) 0.774 1.916 ( 0.055 -0.220 -0.190) 0.296 1.950 ( -4.175 0.671 -4.318) 6.044 1.977 ( -4.923 -0.668 -5.325) 7.283 2.089 ( 0.532 -1.004 0.922) 1.463 2.093 ( 1.486 -0.926 1.565) 2.348 2.110 ( 0.730 -0.535 0.239) 0.935 2.129 ( -0.080 -0.964 -0.450) 1.067 2.233 ( 2.999 0.861 0.706) 3.199 2.251 ( 0.784 0.645 -0.128) 1.023 2.265 ( -0.329 -0.573 0.348) 0.746 2.283 ( 0.734 -1.229 -0.137) 1.439 2.317 ( 0.339 -0.097 0.120) 0.372 2.355 ( -2.252 -0.884 -1.818) 3.027 2.392 ( 1.157 0.892 2.998) 3.335 2.406 ( 2.043 1.026 1.236) 2.599 2.417 ( 0.543 -0.269 1.876) 1.972 2.441 ( -0.286 -1.023 0.087) 1.066 2.492 ( 1.990 1.133 1.944) 3.004 2.517 ( -0.336 0.014 0.303) 0.453 2.531 ( -0.144 0.997 0.845) 1.315 2.557 ( 0.920 0.081 0.785) 1.213 2.578 ( 0.916 1.036 1.334) 1.922 2.634 ( 0.754 -1.623 1.543) 2.363 2.659 ( -0.159 -1.177 -0.097) 1.192 2.690 ( -1.966 -1.256 -2.393) 3.342 2.740 ( 1.512 0.721 2.483) 2.995 2.774 ( 1.185 -0.815 3.349) 3.645 2.789 ( -0.629 -0.710 -1.766) 2.005 2.807 ( -0.550 -1.037 -0.024) 1.174 2.821 ( 0.061 -0.976 0.583) 1.139 2.845 ( 0.948 -1.423 1.361) 2.186 2.880 ( 1.018 0.223 1.774) 2.057 2.882 ( 0.806 -0.202 0.458) 0.949 2.924 ( -0.806 0.454 -0.849) 1.255 2.934 ( -1.358 0.496 -1.914) 2.399 2.945 ( -1.034 -0.116 -1.230) 1.611 2.969 ( -2.059 -0.378 -3.125) 3.762 2.992 ( 1.438 -0.940 0.996) 1.986 3.012 ( 0.476 -0.644 -0.136) 0.813 3.056 ( 1.490 1.037 1.895) 2.624 3.072 ( 3.078 0.509 3.667) 4.814 3.095 ( -0.270 1.832 -1.605) 2.450 3.141 ( -1.698 -0.708 -1.261) 2.230 3.207 ( -0.684 1.184 0.662) 1.519 3.220 ( 0.555 0.988 1.086) 1.570 3.253 ( -0.796 0.671 -0.980) 1.429 3.280 ( -1.200 -0.295 -1.755) 2.147 3.307 ( -0.282 0.592 -0.044) 0.657 3.332 ( -1.050 0.200 -1.860) 2.145 3.333 ( -0.185 0.335 -0.304) 0.488 3.341 ( 0.438 -0.774 -0.423) 0.985 3.359 ( 0.818 0.525 0.658) 1.174 3.381 ( -1.192 -0.304 -1.107) 1.655 3.452 ( 0.927 0.374 0.806) 1.284 3.497 ( -1.720 -0.097 -2.370) 2.930 3.515 ( 1.590 -1.767 2.319) 3.321 3.533 ( 0.329 -1.614 1.578) 2.281 3.710 ( 0.936 0.932 2.211) 2.575 3.736 ( -0.472 0.498 -0.360) 0.776 3.751 ( 0.843 -0.006 1.073) 1.364 3.784 ( -0.496 -0.538 -1.312) 1.502 3.789 ( 0.575 -0.287 0.373) 0.743 3.809 ( -0.169 -0.581 -0.859) 1.051 3.856 ( 0.367 0.986 0.730) 1.281 3.869 ( -0.619 0.291 -0.333) 0.761 4.138 ( 0.399 0.009 -0.103) 0.412 4.145 ( -0.238 -0.266 -0.573) 0.676 4.161 ( -0.032 0.380 0.122) 0.401 4.165 ( -0.361 0.204 -0.093) 0.425 4.312 ( -0.151 0.259 0.226) 0.375 4.319 ( 0.024 0.128 -0.363) 0.386 4.327 ( 0.000 -0.177 0.392) 0.430 4.331 ( 0.193 -0.159 0.100) 0.269 4.404 ( 0.365 0.922 0.451) 1.089 4.427 ( -1.168 0.707 -1.526) 2.048 4.447 ( 0.483 -0.805 0.161) 0.952 4.460 ( -0.700 -0.510 -0.960) 1.293 4.589 ( 1.797 -0.771 1.801) 2.658 4.593 ( 0.995 -1.094 1.684) 2.241 4.657 ( -0.957 0.902 -0.642) 1.463 4.666 ( -0.836 0.500 -1.221) 1.562 4.832 ( 0.142 0.062 0.471) 0.496 4.842 ( 0.234 -0.299 0.321) 0.498 4.859 ( -0.029 0.230 -1.442) 1.460 4.870 ( -0.422 -0.281 -1.650) 1.726 5.054 ( 1.041 0.035 0.673) 1.240 5.060 ( 1.135 -0.257 0.732) 1.375 5.073 ( -1.032 0.068 -0.774) 1.292 5.078 ( -1.124 -0.191 -0.608) 1.292 5.162 ( 0.043 0.059 0.146) 0.163 5.166 ( 0.308 -0.087 -0.011) 0.321 5.170 ( 0.230 0.028 -0.079) 0.244 5.172 ( -0.043 -0.012 -0.144) 0.151 5.218 ( -0.336 0.048 1.210) 1.257 5.220 ( -0.059 -0.111 1.086) 1.093 5.235 ( 0.108 0.431 -0.395) 0.594 5.248 ( 0.245 -0.201 -0.911) 0.964 5.412 ( 0.424 0.291 1.421) 1.511 5.439 ( 0.013 -0.880 0.634) 1.085 5.441 ( -0.496 -0.506 0.007) 0.708 5.459 ( -0.457 -0.665 -0.370) 0.887 5.531 ( 0.241 0.598 1.102) 1.277 5.554 ( -0.633 0.305 -1.092) 1.299 5.614 ( 0.420 -0.684 1.041) 1.315 5.623 ( 0.569 -0.509 0.455) 0.889 5.672 ( 1.398 0.175 2.750) 3.090 5.692 ( 0.318 -0.752 0.577) 1.000 5.722 ( -1.174 0.138 -1.806) 2.159 5.730 ( -1.078 -0.177 -1.967) 2.250 5.860 ( -0.102 0.272 0.342) 0.448 5.867 ( 0.041 0.013 -0.170) 0.176 5.879 ( 0.001 0.232 0.114) 0.259 5.883 ( 0.151 0.095 -0.142) 0.228 6.061 ( 1.125 0.024 1.253) 1.684 6.080 ( 0.844 -0.715 0.714) 1.316 6.087 ( -0.251 -0.050 -0.543) 0.600 6.096 ( -0.679 -0.189 -0.508) 0.869 6.109 ( 0.331 -0.216 0.385) 0.551 6.115 ( 0.088 -0.269 0.025) 0.284 6.131 ( -0.264 0.294 -0.060) 0.400 6.134 ( -0.152 0.208 -0.194) 0.322 6.403 ( -0.124 1.025 0.172) 1.047 6.407 ( 0.138 0.802 -0.152) 0.827 6.634 ( 1.860 0.711 2.002) 2.824 6.682 ( -1.869 -0.788 -1.788) 2.704 6.760 ( 0.290 -0.231 0.331) 0.497 6.778 ( -0.802 -0.444 -0.781) 1.204 6.851 ( 1.525 0.683 1.831) 2.479 6.881 ( -0.896 -0.687 -0.809) 1.389 7.213 ( 0.227 0.336 0.499) 0.643 7.231 ( -0.118 -0.314 -0.999) 1.053 7.269 ( 0.352 -1.109 0.299) 1.201 7.274 ( 0.112 -0.955 -0.194) 0.981 7.516 ( 0.208 0.983 0.511) 1.128 7.530 ( -0.241 0.980 -0.599) 1.174 7.560 ( 0.048 -0.885 0.899) 1.263 7.578 ( 0.263 -1.154 -0.388) 1.246 7.789 ( 0.055 0.479 0.433) 0.648 7.803 ( -0.425 0.519 -0.839) 1.075 7.843 ( 0.506 -0.535 0.447) 0.861 7.858 ( -0.626 -0.815 -0.836) 1.325 7.972 ( -0.130 1.106 0.225) 1.136 7.977 ( 0.221 1.047 0.003) 1.070 7.990 ( 0.696 0.545 0.374) 0.960 7.998 ( -0.786 1.032 -0.210) 1.314 8.041 ( 0.302 -0.537 0.527) 0.811 8.053 ( -0.554 -0.960 -0.456) 1.199 8.095 ( 0.749 -1.614 1.092) 2.088 8.105 ( -0.010 -1.362 0.035) 1.362 8.823 ( 0.072 0.498 0.839) 0.978 8.839 ( 0.262 0.123 -0.217) 0.362 8.858 ( -0.772 0.954 -0.298) 1.263 8.878 ( 0.139 -0.054 -1.178) 1.188 8.986 ( -0.599 0.323 0.672) 0.956 9.002 ( 0.440 -0.086 -0.598) 0.748 9.021 ( -1.194 -0.350 0.392) 1.305 9.032 ( 0.649 -0.395 -0.421) 0.868 ======================= Grid point 42 (20/30) ======================= q-point: ( 0.17 0.25 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.135 ( 2.120 3.553 0.262) 4.146 0.206 ( 3.180 0.188 0.176) 3.191 0.313 ( 0.064 1.777 1.085) 2.083 0.345 ( 0.189 0.134 -0.090) 0.248 0.390 ( 0.365 2.945 5.817) 6.530 0.439 ( 1.028 2.350 0.535) 2.620 0.497 ( 3.906 3.587 2.449) 5.841 0.576 ( -1.513 -0.012 -4.121) 4.390 0.594 ( 0.659 0.821 -3.531) 3.684 0.665 ( 0.867 -0.657 0.112) 1.094 0.692 ( 0.199 -2.264 0.706) 2.380 0.704 ( 0.648 0.629 -1.814) 2.027 0.740 ( 1.428 -3.134 -1.586) 3.792 0.768 ( -0.794 -1.846 0.011) 2.010 0.799 ( -0.099 -0.290 1.721) 1.748 0.807 ( -3.223 -3.506 -1.540) 5.006 0.814 ( -2.392 -0.303 -0.203) 2.419 0.843 ( 0.051 -1.653 -0.701) 1.796 0.876 ( 1.441 0.351 -1.977) 2.472 0.888 ( 1.273 0.811 -1.824) 2.368 0.895 ( 0.052 -0.106 -3.609) 3.610 0.919 ( 0.752 -0.052 -2.227) 2.352 0.944 ( 0.584 -0.194 -2.681) 2.751 0.947 ( 0.490 0.058 -0.251) 0.554 0.949 ( -1.129 -0.209 0.685) 1.336 0.971 ( 1.961 -0.777 -0.227) 2.121 0.992 ( 0.905 0.427 0.382) 1.071 1.016 ( -0.351 0.637 -1.145) 1.356 1.026 ( -1.527 0.109 -1.851) 2.402 1.061 ( -0.790 -1.785 -0.374) 1.988 1.066 ( 0.263 -0.823 -0.840) 1.205 1.108 ( 0.762 0.197 -0.926) 1.215 1.117 ( 1.249 -0.135 2.510) 2.806 1.124 ( -0.028 -0.908 1.593) 1.834 1.153 ( 0.854 -1.311 0.413) 1.619 1.168 ( 1.791 -0.828 -1.301) 2.364 1.208 ( -0.783 1.151 -1.041) 1.738 1.221 ( -0.293 0.458 2.564) 2.621 1.241 ( 0.933 2.254 0.681) 2.533 1.247 ( 0.353 0.586 0.787) 1.043 1.278 ( -1.163 -0.089 -0.032) 1.167 1.312 ( 0.197 -0.475 0.553) 0.755 1.374 ( -1.735 -0.269 -2.659) 3.186 1.398 ( -1.213 -2.532 -1.735) 3.301 1.429 ( 1.763 0.649 2.274) 2.950 1.459 ( 0.586 0.459 -0.723) 1.038 1.467 ( 1.228 1.145 1.300) 2.123 1.478 ( 1.312 -1.574 1.856) 2.764 1.510 ( 3.383 1.008 2.403) 4.270 1.521 ( 4.468 -1.799 3.459) 5.930 1.554 ( 0.720 -1.194 1.207) 1.844 1.560 ( 1.767 -1.541 0.570) 2.413 1.648 ( 0.474 2.921 0.520) 3.005 1.694 ( 1.541 2.411 2.230) 3.628 1.706 ( -2.154 1.282 -1.306) 2.827 1.728 ( -2.527 -0.015 -2.191) 3.345 1.768 ( 0.602 0.351 0.362) 0.785 1.817 ( 2.874 -1.601 3.484) 4.792 1.871 ( -1.288 0.582 0.964) 1.711 1.895 ( -1.123 -0.569 1.248) 1.773 1.956 ( 2.904 0.155 4.822) 5.631 1.985 ( 4.063 -0.900 5.363) 6.788 2.054 ( -4.392 -0.456 -1.680) 4.724 2.066 ( -3.413 -0.949 -1.250) 3.756 2.104 ( -0.806 -0.096 -0.777) 1.123 2.130 ( -0.060 -1.327 -0.259) 1.353 2.197 ( -2.396 0.374 -1.810) 3.026 2.235 ( -1.853 -0.081 -0.673) 1.973 2.260 ( -1.161 -0.652 -2.034) 2.431 2.288 ( -0.220 -1.583 -0.875) 1.822 2.338 ( 2.746 1.232 1.070) 3.195 2.358 ( 0.428 0.207 1.029) 1.133 2.391 ( -1.030 1.477 -1.147) 2.134 2.420 ( -0.170 0.255 -2.425) 2.444 2.434 ( 1.016 -1.029 0.843) 1.674 2.449 ( -0.514 -0.307 -1.422) 1.543 2.487 ( -0.525 0.323 -0.876) 1.071 2.523 ( -0.826 -0.833 -1.167) 1.655 2.542 ( -0.537 -0.044 0.588) 0.797 2.545 ( 0.413 0.402 0.312) 0.656 2.579 ( -2.290 1.279 -2.900) 3.910 2.634 ( -1.761 -1.272 -1.741) 2.784 2.663 ( 1.094 -0.488 0.790) 1.435 2.695 ( 2.785 0.450 3.228) 4.287 2.732 ( -2.205 1.286 -1.385) 2.904 2.764 ( -0.467 -0.918 1.050) 1.471 2.778 ( -1.595 -0.459 -0.515) 1.738 2.801 ( -1.468 -1.503 -0.991) 2.323 2.825 ( -0.647 -0.263 -0.246) 0.740 2.851 ( 0.067 -0.672 -0.854) 1.089 2.873 ( -1.549 0.448 -1.562) 2.245 2.881 ( -1.002 -0.457 -1.071) 1.537 2.922 ( 0.243 -0.479 0.627) 0.826 2.933 ( 0.335 0.690 1.227) 1.448 2.943 ( 1.339 -0.980 3.521) 3.893 2.949 ( 1.438 -0.463 1.599) 2.200 2.993 ( -1.132 -0.337 -2.012) 2.333 3.005 ( -0.303 -1.104 -0.377) 1.205 3.059 ( -2.154 1.195 -2.359) 3.411 3.068 ( -1.821 0.425 -2.939) 3.483 3.094 ( 1.320 2.046 0.648) 2.519 3.155 ( 1.525 -0.914 1.143) 2.114 3.216 ( 0.027 1.208 0.459) 1.293 3.222 ( 0.791 1.284 1.061) 1.844 3.251 ( 0.080 0.284 0.478) 0.562 3.280 ( 0.286 -0.674 0.280) 0.784 3.305 ( 0.503 1.203 1.295) 1.838 3.321 ( -0.569 -0.189 -0.164) 0.622 3.327 ( 0.582 -0.474 1.311) 1.511 3.338 ( -0.776 -0.231 -0.741) 1.098 3.357 ( 0.838 0.936 0.916) 1.555 3.391 ( 1.067 -0.458 0.735) 1.374 3.451 ( -0.763 1.050 -1.545) 2.018 3.499 ( 1.624 -0.573 1.826) 2.510 3.516 ( -1.248 -1.265 -1.615) 2.402 3.541 ( -0.438 -1.877 -0.569) 2.010 3.718 ( -1.047 0.703 -1.460) 1.929 3.733 ( -0.054 0.288 0.697) 0.756 3.747 ( -1.249 0.170 -1.060) 1.647 3.770 ( -0.320 -0.474 1.269) 1.392 3.786 ( -0.531 -0.404 -0.810) 1.049 3.802 ( -0.140 -0.255 -0.160) 0.332 3.850 ( -0.927 1.096 -0.425) 1.497 3.869 ( 0.567 0.198 0.862) 1.051 4.132 ( -0.434 0.001 -0.327) 0.543 4.142 ( -0.157 -0.377 -0.133) 0.430 4.158 ( -0.155 0.604 0.311) 0.696 4.166 ( 0.172 0.286 0.343) 0.479 4.312 ( -0.137 0.182 0.415) 0.473 4.317 ( -0.008 0.141 -0.226) 0.267 4.326 ( -0.352 -0.129 0.092) 0.386 4.329 ( -0.270 -0.066 -0.307) 0.414 4.404 ( -0.342 0.712 -0.454) 0.911 4.427 ( 1.097 0.835 1.468) 2.013 4.441 ( -0.471 -0.655 -0.393) 0.898 4.461 ( 0.558 -0.427 0.523) 0.876 4.583 ( -1.587 -0.584 -1.779) 2.455 4.599 ( -0.919 -1.305 -1.653) 2.298 4.665 ( 1.059 0.557 1.303) 1.769 4.666 ( 1.054 0.596 0.944) 1.535 4.834 ( -0.517 0.049 -0.586) 0.783 4.839 ( -0.085 0.107 0.310) 0.339 4.850 ( -0.337 -0.026 -0.604) 0.692 4.861 ( 0.525 -0.239 0.701) 0.908 5.030 ( -2.276 0.054 -0.559) 2.344 5.036 ( -2.167 -0.220 -0.633) 2.268 5.064 ( -0.871 0.125 0.577) 1.053 5.070 ( -0.823 -0.125 0.583) 1.017 5.165 ( 0.036 0.123 -0.230) 0.263 5.172 ( 0.385 -0.069 -0.118) 0.409 5.173 ( 0.456 0.010 -0.235) 0.513 5.177 ( 0.787 -0.028 -0.172) 0.806 5.243 ( 1.643 0.109 0.745) 1.808 5.248 ( 1.639 -0.139 0.552) 1.735 5.251 ( 1.810 0.142 -0.200) 1.827 5.258 ( 1.851 -0.141 -0.883) 2.056 5.415 ( -0.990 0.192 -0.766) 1.266 5.429 ( -0.219 0.236 1.226) 1.267 5.437 ( -1.245 -0.823 -0.491) 1.571 5.444 ( -0.984 -0.452 0.954) 1.443 5.534 ( -0.713 0.866 -0.794) 1.374 5.551 ( 0.869 0.324 1.313) 1.607 5.612 ( -0.660 -0.306 -0.511) 0.889 5.633 ( 0.231 -1.213 -0.740) 1.440 5.679 ( -1.712 -0.006 -2.403) 2.950 5.688 ( -1.191 -0.366 -0.862) 1.515 5.715 ( 0.886 0.058 1.913) 2.109 5.721 ( 0.939 -0.158 2.095) 2.301 5.862 ( -0.015 0.233 0.308) 0.386 5.868 ( 0.230 0.107 -0.179) 0.311 5.879 ( 0.033 0.238 0.076) 0.252 5.884 ( 0.153 0.177 -0.296) 0.377 6.059 ( -0.976 0.012 -1.257) 1.592 6.069 ( -1.191 -0.359 -0.845) 1.504 6.086 ( 0.485 0.069 0.590) 0.767 6.096 ( -0.070 -0.381 0.223) 0.447 6.108 ( -0.152 0.098 -0.085) 0.200 6.115 ( -0.200 -0.246 -0.245) 0.401 6.134 ( 0.514 0.459 0.377) 0.785 6.141 ( 0.535 -0.129 0.149) 0.570 6.400 ( -0.248 0.975 0.160) 1.019 6.407 ( -0.026 0.836 -0.168) 0.853 6.624 ( -1.999 1.134 -1.824) 2.934 6.685 ( 1.269 -1.133 1.979) 2.610 6.756 ( -0.487 -0.150 -0.108) 0.521 6.776 ( 0.110 -0.573 0.771) 0.967 6.852 ( -0.994 0.899 -1.631) 2.111 6.889 ( 1.206 -0.756 0.894) 1.681 7.224 ( 0.459 -0.204 -0.463) 0.683 7.235 ( 1.297 -0.028 0.223) 1.316 7.266 ( -0.102 -0.430 -0.211) 0.490 7.280 ( 0.286 -1.162 -0.132) 1.203 7.516 ( -0.579 0.903 -0.540) 1.201 7.523 ( -0.128 0.775 0.576) 0.974 7.559 ( -1.042 -0.830 0.325) 1.371 7.563 ( -1.147 -1.027 -0.567) 1.641 7.786 ( -0.399 0.390 0.070) 0.562 7.798 ( -0.121 0.274 0.215) 0.369 7.836 ( -0.794 -0.278 -0.459) 0.958 7.856 ( 0.159 -0.797 0.579) 0.997 7.969 ( -0.155 1.363 -0.142) 1.379 7.974 ( -0.896 0.806 0.082) 1.208 7.981 ( -0.347 1.255 -0.303) 1.337 8.006 ( 0.492 0.198 0.328) 0.624 8.038 ( -0.647 -0.935 0.047) 1.138 8.050 ( -0.141 -1.137 0.153) 1.155 8.079 ( -1.617 -0.596 -0.799) 1.899 8.093 ( -1.442 -0.765 0.366) 1.672 8.832 ( -0.070 0.734 -0.433) 0.855 8.834 ( 0.177 0.563 0.253) 0.642 8.860 ( 0.282 -0.102 0.931) 0.978 8.873 ( 0.278 -0.323 -0.559) 0.702 8.983 ( -0.323 0.325 0.618) 0.770 9.005 ( 0.333 -0.432 -0.207) 0.583 9.019 ( 0.330 0.434 0.020) 0.545 9.050 ( 1.246 -0.852 0.245) 1.529 ======================= Grid point 43 (21/30) ======================= q-point: ( 0.33 0.25 -0.67) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( 4.341 3.796 -0.084) 5.768 0.254 ( 3.547 1.134 0.087) 3.725 0.321 ( 0.225 0.671 -0.365) 0.796 0.337 ( -0.721 0.362 -0.515) 0.957 0.411 ( 3.820 1.924 -5.827) 7.228 0.482 ( 4.226 3.789 -0.602) 5.708 0.495 ( 2.818 0.909 3.625) 4.681 0.577 ( 1.807 -1.434 0.445) 2.350 0.635 ( 1.011 -1.791 -1.617) 2.616 0.652 ( 0.960 0.600 2.247) 2.516 0.688 ( 0.449 0.940 3.956) 4.091 0.713 ( -0.191 -4.416 0.559) 4.455 0.740 ( -1.566 -0.791 -2.064) 2.709 0.760 ( -2.396 -2.126 2.394) 3.999 0.769 ( -0.425 -0.198 1.404) 1.480 0.783 ( 1.909 -0.789 2.865) 3.532 0.808 ( -0.697 0.219 1.518) 1.685 0.824 ( -0.954 -1.646 0.193) 1.913 0.862 ( -0.470 -0.322 -2.178) 2.251 0.886 ( 0.453 -0.758 -0.717) 1.138 0.912 ( -0.281 0.629 1.155) 1.345 0.930 ( 0.052 -0.937 -0.050) 0.940 0.939 ( 0.470 -1.722 -1.540) 2.358 0.943 ( 1.410 -1.261 -0.744) 2.033 0.957 ( -0.496 -2.041 -1.089) 2.366 0.976 ( -0.528 -1.751 -1.815) 2.577 0.988 ( 3.444 -0.029 -1.880) 3.924 1.021 ( 1.821 -0.934 0.762) 2.184 1.044 ( 1.145 0.268 0.424) 1.250 1.076 ( 1.544 -0.725 1.173) 2.070 1.085 ( 1.520 0.646 -0.195) 1.663 1.116 ( 0.541 -0.746 -0.280) 0.963 1.133 ( 1.296 -0.292 0.028) 1.329 1.158 ( 1.656 0.927 -0.087) 1.900 1.181 ( -0.010 -0.053 -0.625) 0.627 1.186 ( 2.550 0.753 1.626) 3.117 1.200 ( 0.744 1.056 0.005) 1.291 1.221 ( -0.091 -0.263 0.352) 0.448 1.246 ( -1.342 0.196 0.884) 1.619 1.259 ( -1.263 -0.824 1.830) 2.371 1.276 ( 1.018 0.388 -0.708) 1.299 1.299 ( -0.729 1.136 -1.005) 1.683 1.325 ( -0.296 2.016 -2.067) 2.902 1.363 ( -0.545 -1.102 -2.861) 3.114 1.461 ( -0.087 0.065 -0.506) 0.518 1.475 ( 0.558 -0.909 -0.390) 1.135 1.486 ( 0.534 -0.475 0.293) 0.772 1.511 ( -0.168 -1.059 1.005) 1.470 1.528 ( 1.371 1.220 0.236) 1.850 1.584 ( 1.897 -0.979 -0.113) 2.138 1.620 ( -0.824 0.806 1.321) 1.753 1.628 ( 1.448 -0.130 1.231) 1.905 1.658 ( -1.721 1.049 -0.329) 2.042 1.664 ( -0.833 1.688 -1.158) 2.210 1.678 ( 0.407 0.562 2.527) 2.621 1.746 ( 0.363 -0.203 0.546) 0.686 1.772 ( 0.736 0.685 -1.138) 1.518 1.828 ( -1.935 -1.324 -1.903) 3.020 1.882 ( -1.334 0.505 -0.323) 1.463 1.897 ( -2.627 0.004 -1.794) 3.182 1.965 ( -2.269 -0.114 3.005) 3.767 1.992 ( -2.574 -1.365 1.967) 3.515 2.046 ( -1.683 1.010 -0.639) 2.064 2.061 ( -1.846 -0.054 -2.204) 2.876 2.101 ( 1.074 0.234 0.943) 1.448 2.103 ( -0.226 -0.498 -0.823) 0.988 2.201 ( 1.364 0.043 2.450) 2.805 2.228 ( 0.034 -0.938 1.837) 2.063 2.255 ( -1.122 -0.670 -0.538) 1.413 2.266 ( 0.380 -1.514 0.788) 1.749 2.321 ( 1.157 1.340 0.009) 1.770 2.345 ( 0.724 0.317 0.075) 0.794 2.389 ( 0.146 0.421 0.172) 0.478 2.398 ( 2.055 0.222 -0.134) 2.071 2.420 ( -1.138 -0.708 -0.637) 1.484 2.438 ( 0.519 -1.112 -1.396) 1.858 2.473 ( 0.301 0.723 -0.123) 0.793 2.494 ( 0.168 -0.547 -1.684) 1.778 2.540 ( -0.402 -0.066 -0.115) 0.423 2.552 ( -0.614 -0.515 2.157) 2.301 2.559 ( -0.631 0.877 0.405) 1.154 2.606 ( -0.697 -0.882 0.322) 1.170 2.663 ( 0.472 0.905 -0.352) 1.080 2.710 ( -1.829 2.080 -1.768) 3.286 2.718 ( 1.181 1.208 0.388) 1.733 2.758 ( -0.250 -0.912 -0.827) 1.256 2.768 ( -0.245 -0.759 -0.158) 0.813 2.789 ( -0.321 -1.275 -0.024) 1.315 2.814 ( -0.960 0.295 0.411) 1.085 2.823 ( -0.485 -0.285 -1.260) 1.379 2.840 ( -0.567 -0.112 -0.562) 0.806 2.860 ( 0.137 -1.275 -0.363) 1.333 2.942 ( -0.962 -0.498 -0.883) 1.397 2.950 ( 1.499 -0.357 1.111) 1.900 2.951 ( -0.771 0.239 1.588) 1.781 2.970 ( 0.486 0.779 0.153) 0.931 2.996 ( -0.252 -0.346 -0.062) 0.433 3.000 ( -0.357 -0.101 0.650) 0.748 3.032 ( 0.179 -0.876 0.270) 0.934 3.035 ( 0.442 0.428 0.759) 0.977 3.118 ( 0.804 2.177 0.918) 2.496 3.155 ( -0.345 0.008 -0.748) 0.823 3.210 ( 0.230 1.497 -0.403) 1.567 3.243 ( -0.343 -0.397 -0.402) 0.661 3.256 ( -0.335 -0.508 -0.451) 0.757 3.267 ( -0.858 -0.829 -0.213) 1.212 3.315 ( 0.301 -0.298 0.130) 0.443 3.318 ( -0.161 0.152 0.258) 0.340 3.325 ( -0.291 0.813 -0.344) 0.929 3.370 ( -0.642 -0.484 0.682) 1.054 3.380 ( 0.403 0.901 0.173) 1.002 3.425 ( 1.811 -1.081 1.200) 2.427 3.439 ( -0.266 0.897 0.022) 0.935 3.469 ( -1.069 0.275 -2.119) 2.389 3.494 ( -0.313 -0.412 -0.289) 0.593 3.536 ( 0.061 -1.548 -0.571) 1.651 3.680 ( -0.720 1.097 -1.405) 1.922 3.726 ( -0.783 -0.723 -1.306) 1.686 3.733 ( -0.739 0.355 -0.001) 0.820 3.761 ( -0.260 -0.781 0.980) 1.280 3.787 ( 0.046 0.261 0.324) 0.419 3.791 ( -0.148 -0.011 0.086) 0.171 3.837 ( -0.178 1.693 -0.149) 1.709 3.884 ( 0.317 -0.489 -0.160) 0.604 4.126 ( -0.220 0.224 0.223) 0.385 4.135 ( -0.234 -0.233 0.179) 0.376 4.161 ( -0.158 0.616 0.112) 0.646 4.169 ( -0.079 0.197 -0.271) 0.344 4.313 ( -0.237 0.027 -0.119) 0.267 4.315 ( -0.089 -0.019 0.345) 0.357 4.317 ( -0.331 0.174 -0.361) 0.520 4.321 ( -0.141 0.112 -0.155) 0.238 4.400 ( -0.022 0.629 -0.022) 0.630 4.436 ( -0.029 -0.749 0.376) 0.838 4.452 ( -0.336 0.740 -0.497) 0.953 4.469 ( 0.227 0.242 0.795) 0.861 4.554 ( -0.027 -0.517 -0.126) 0.533 4.576 ( 0.322 -1.360 0.097) 1.401 4.681 ( 0.098 0.357 -0.578) 0.686 4.685 ( 0.175 0.117 -0.098) 0.232 4.825 ( 0.019 0.231 0.138) 0.270 4.842 ( 0.169 -0.379 0.591) 0.722 4.852 ( -0.079 0.672 0.848) 1.085 4.874 ( 0.062 -0.309 0.729) 0.794 4.996 ( -1.293 0.065 0.339) 1.338 5.004 ( -1.087 -0.318 0.363) 1.189 5.044 ( -1.222 0.261 -0.325) 1.291 5.053 ( -1.003 -0.159 -0.383) 1.085 5.162 ( 0.206 0.245 -0.154) 0.355 5.172 ( 0.136 -0.184 0.074) 0.240 5.185 ( 0.764 0.253 -0.011) 0.805 5.194 ( 0.734 -0.125 0.136) 0.757 5.269 ( 1.195 -0.177 -0.708) 1.401 5.272 ( 1.227 -0.207 -0.681) 1.419 5.287 ( 1.632 0.071 0.052) 1.634 5.290 ( 1.647 0.021 -0.006) 1.647 5.397 ( -0.422 0.234 -0.237) 0.538 5.412 ( -0.648 -0.446 -0.614) 0.998 5.426 ( -1.132 0.154 0.349) 1.194 5.427 ( -1.118 0.073 -0.009) 1.120 5.518 ( -0.308 1.433 -0.471) 1.540 5.575 ( 0.219 -0.730 0.438) 0.878 5.606 ( 0.179 -0.138 0.310) 0.384 5.615 ( -0.441 -0.572 -0.975) 1.213 5.641 ( -0.166 0.276 -0.990) 1.042 5.671 ( -0.611 -0.818 0.052) 1.023 5.733 ( -0.501 -0.118 -0.105) 0.526 5.735 ( -0.367 -0.134 0.153) 0.420 5.866 ( -0.021 0.276 0.407) 0.493 5.870 ( 0.204 0.191 -0.164) 0.324 5.882 ( 0.143 0.307 0.086) 0.349 5.884 ( 0.170 0.266 -0.181) 0.364 6.045 ( 0.229 0.080 0.173) 0.298 6.055 ( 0.158 -0.358 0.057) 0.396 6.089 ( -0.239 0.358 -0.087) 0.439 6.096 ( -0.118 0.042 0.127) 0.178 6.102 ( -0.274 -0.124 -0.136) 0.330 6.111 ( 0.062 -0.666 0.073) 0.673 6.145 ( 0.037 0.150 -0.443) 0.469 6.145 ( 0.292 0.246 -0.051) 0.386 6.398 ( -0.212 0.949 0.209) 0.995 6.404 ( -0.073 0.920 -0.189) 0.942 6.594 ( -0.307 1.402 -0.022) 1.435 6.695 ( -0.588 -3.125 -0.791) 3.277 6.765 ( -0.655 0.254 -0.141) 0.716 6.767 ( -0.355 0.300 0.436) 0.637 6.834 ( 0.497 1.987 -0.062) 2.049 6.906 ( 0.345 -1.224 -0.242) 1.294 7.230 ( 0.483 0.171 -0.004) 0.512 7.259 ( 0.361 -0.704 -0.068) 0.794 7.268 ( 0.761 0.220 0.556) 0.968 7.287 ( 0.372 -0.775 0.260) 0.898 7.506 ( -0.100 0.457 -0.114) 0.482 7.522 ( -0.332 0.356 0.179) 0.519 7.531 ( -1.230 -0.590 -0.464) 1.441 7.543 ( -1.202 -0.433 0.128) 1.284 7.782 ( -0.149 -0.151 0.113) 0.240 7.793 ( -0.629 -0.205 0.294) 0.724 7.826 ( -0.205 0.458 0.173) 0.531 7.857 ( -0.449 -0.724 0.121) 0.861 7.957 ( -0.688 0.708 0.223) 1.012 7.967 ( -0.320 0.683 -0.012) 0.755 7.974 ( 0.027 1.302 -0.328) 1.343 8.007 ( -0.229 -0.054 -0.668) 0.708 8.027 ( -0.654 -0.740 -0.500) 1.107 8.038 ( -0.169 -0.966 0.096) 0.985 8.054 ( -0.676 0.406 -0.288) 0.840 8.077 ( -0.562 -0.462 0.126) 0.738 8.829 ( 0.145 0.651 -0.171) 0.689 8.838 ( 0.049 0.385 0.029) 0.389 8.871 ( 0.132 -0.392 0.137) 0.436 8.873 ( 0.027 -0.403 -0.105) 0.417 8.986 ( -0.158 0.414 0.718) 0.844 9.010 ( 0.371 -0.444 -0.025) 0.579 9.026 ( 0.357 0.562 0.065) 0.669 9.067 ( 0.239 -1.137 0.060) 1.164 ======================= Grid point 44 (22/30) ======================= q-point: (-0.50 0.25 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 1.691 2.923 0.767) 3.463 0.286 ( -1.517 1.405 -1.018) 2.305 0.321 ( -0.238 0.307 0.367) 0.534 0.332 ( 0.838 0.067 -0.372) 0.919 0.502 ( 2.812 1.364 1.391) 3.421 0.543 ( 0.188 -0.574 -0.287) 0.668 0.587 ( -2.980 1.934 -0.568) 3.598 0.637 ( -0.822 -1.346 -1.808) 2.399 0.661 ( 2.468 -1.989 2.500) 4.037 0.688 ( 6.480 0.320 8.139) 10.408 0.698 ( -0.418 -0.229 -1.456) 1.532 0.722 ( -0.014 -0.814 0.360) 0.890 0.743 ( 0.519 -2.477 2.432) 3.510 0.766 ( 2.760 -1.687 4.433) 5.488 0.787 ( -2.738 -1.432 1.922) 3.639 0.806 ( 0.671 -0.073 4.122) 4.177 0.817 ( 2.040 -1.966 4.702) 5.489 0.851 ( 0.202 0.659 1.978) 2.095 0.877 ( 0.797 -1.954 0.870) 2.283 0.889 ( -0.211 -1.658 -0.293) 1.697 0.905 ( -0.417 0.689 1.052) 1.324 0.920 ( 1.059 -1.321 -2.228) 2.798 0.940 ( 1.462 -0.417 -1.623) 2.224 0.950 ( -0.022 -0.847 0.176) 0.865 0.965 ( 0.424 -0.747 0.483) 0.985 0.977 ( 1.663 -2.525 0.122) 3.026 1.010 ( -0.235 -0.033 -0.961) 0.990 1.048 ( -0.909 -0.127 -1.560) 1.810 1.057 ( -0.187 1.190 -0.689) 1.388 1.089 ( -0.378 -0.518 -1.097) 1.271 1.097 ( -0.597 -1.386 1.070) 1.850 1.126 ( 1.341 -0.290 0.931) 1.658 1.140 ( -1.296 -1.030 -1.389) 2.161 1.154 ( -0.265 0.801 -1.583) 1.794 1.175 ( -2.736 -0.105 -1.219) 2.998 1.180 ( 0.120 0.911 -0.438) 1.018 1.213 ( -2.296 -0.444 -0.427) 2.377 1.232 ( -0.468 -0.005 0.547) 0.720 1.243 ( 0.082 0.993 2.207) 2.421 1.249 ( 0.235 1.016 1.611) 1.919 1.275 ( 0.311 1.813 -3.047) 3.560 1.301 ( 2.798 1.033 -4.161) 5.119 1.339 ( 1.357 0.112 3.080) 3.367 1.357 ( 2.036 -0.694 0.818) 2.301 1.415 ( -3.205 0.679 -2.831) 4.330 1.437 ( -0.818 -0.484 -2.062) 2.271 1.488 ( -0.519 1.122 0.366) 1.289 1.534 ( 0.751 0.202 1.335) 1.545 1.553 ( -1.633 -0.380 -2.703) 3.181 1.575 ( -0.196 0.101 -0.929) 0.955 1.601 ( 0.742 0.767 1.102) 1.534 1.620 ( -1.845 0.579 -0.004) 1.934 1.663 ( 3.191 0.266 1.161) 3.406 1.667 ( -1.557 -0.623 1.042) 1.975 1.685 ( 0.647 0.476 -0.101) 0.810 1.689 ( -3.766 0.707 -1.730) 4.204 1.744 ( -3.140 -0.464 -3.581) 4.785 1.773 ( 0.424 -1.560 -4.353) 4.644 1.822 ( 1.075 0.943 0.504) 1.516 1.853 ( -0.501 -0.409 0.628) 0.901 1.905 ( -4.853 1.014 -6.086) 7.850 1.938 ( -3.472 -0.567 -6.352) 7.262 2.024 ( 2.350 -0.613 4.273) 4.915 2.040 ( 1.809 -1.314 3.776) 4.388 2.101 ( 0.361 0.742 0.192) 0.847 2.125 ( -0.475 -0.496 -0.174) 0.708 2.211 ( 0.279 0.097 1.384) 1.415 2.232 ( -0.804 -0.114 0.392) 0.901 2.263 ( 1.460 0.613 3.707) 4.032 2.306 ( 1.384 -0.630 2.475) 2.905 2.356 ( 0.005 0.765 -1.251) 1.466 2.372 ( -1.076 0.215 -2.992) 3.187 2.384 ( -0.703 -0.424 -0.263) 0.862 2.399 ( -0.629 -0.748 -1.777) 2.028 2.434 ( 1.116 -0.713 0.792) 1.543 2.448 ( -0.132 -0.326 -1.386) 1.430 2.510 ( 0.624 -0.028 1.951) 2.048 2.524 ( 1.974 -0.213 1.761) 2.654 2.547 ( 0.754 -0.299 1.218) 1.464 2.554 ( -0.911 -0.519 0.979) 1.435 2.571 ( 2.692 1.677 2.926) 4.316 2.632 ( 2.091 -0.108 3.299) 3.907 2.678 ( 0.144 0.839 -0.907) 1.244 2.690 ( -2.626 1.292 -2.464) 3.826 2.710 ( 1.322 0.318 0.964) 1.667 2.738 ( -0.105 0.012 -0.718) 0.726 2.743 ( -1.289 -1.467 0.109) 1.956 2.772 ( -0.430 -1.642 -0.861) 1.903 2.823 ( 1.049 0.557 0.491) 1.285 2.830 ( 0.910 1.342 0.748) 1.786 2.854 ( 1.811 -0.496 1.271) 2.267 2.871 ( 1.007 -1.057 0.737) 1.636 2.914 ( -1.662 0.042 -1.872) 2.504 2.936 ( -1.949 0.863 -2.246) 3.097 2.941 ( -1.237 -1.108 -1.139) 2.014 2.949 ( -1.107 0.162 -0.672) 1.305 3.013 ( 1.145 -0.158 2.110) 2.406 3.028 ( 0.311 0.071 1.416) 1.452 3.046 ( 1.797 0.925 3.038) 3.649 3.080 ( 1.598 -1.095 2.255) 2.973 3.124 ( -0.871 1.559 -1.393) 2.265 3.142 ( -0.468 0.513 -1.486) 1.640 3.196 ( -0.984 0.517 -2.266) 2.524 3.223 ( -1.350 0.085 -1.609) 2.102 3.249 ( 0.323 -0.486 0.825) 1.011 3.260 ( 1.735 -0.758 1.596) 2.476 3.294 ( -0.597 0.434 -1.422) 1.602 3.325 ( -0.270 0.009 0.283) 0.392 3.325 ( -2.170 -0.012 -1.369) 2.566 3.342 ( 0.986 -0.357 0.971) 1.429 3.363 ( -0.853 0.338 -1.058) 1.400 3.382 ( -1.331 -0.342 -1.930) 2.369 3.459 ( 0.957 0.756 0.768) 1.441 3.492 ( -0.739 -1.106 -2.002) 2.403 3.515 ( 1.269 -0.165 1.194) 1.750 3.521 ( 0.471 0.150 0.561) 0.747 3.680 ( 0.901 -0.480 -0.018) 1.021 3.695 ( -0.564 -0.972 -1.406) 1.800 3.730 ( 0.446 1.298 0.380) 1.424 3.749 ( -0.877 0.935 -0.914) 1.575 3.801 ( 0.371 -0.317 1.058) 1.166 3.807 ( 0.651 -0.263 0.766) 1.039 3.840 ( 0.424 0.864 0.584) 1.126 3.870 ( -0.948 -0.440 -1.498) 1.826 4.132 ( 0.398 0.400 0.777) 0.960 4.141 ( 0.384 -0.041 0.588) 0.703 4.152 ( -0.457 0.471 -0.567) 0.868 4.158 ( -0.373 0.167 -0.758) 0.861 4.305 ( -0.285 0.089 -0.124) 0.323 4.310 ( 0.033 0.023 -0.516) 0.517 4.318 ( 0.036 -0.121 0.319) 0.343 4.322 ( 0.149 -0.082 0.005) 0.170 4.404 ( 0.309 0.914 0.465) 1.071 4.424 ( -0.883 1.091 -1.321) 1.928 4.446 ( 0.407 -0.769 0.953) 1.290 4.467 ( -0.529 -0.528 -0.637) 0.982 4.583 ( 1.521 -0.278 2.320) 2.788 4.606 ( 1.077 -1.329 1.414) 2.219 4.659 ( -0.851 0.587 -1.652) 1.949 4.668 ( -0.970 0.053 -1.509) 1.795 4.838 ( 0.648 0.304 0.883) 1.137 4.848 ( -0.533 0.514 0.096) 0.747 4.860 ( 0.552 -0.303 1.278) 1.425 4.876 ( -0.396 -0.425 0.066) 0.584 4.995 ( 0.415 0.110 1.095) 1.176 5.005 ( 0.309 -0.352 0.982) 1.088 5.023 ( -0.353 0.281 -0.914) 1.020 5.033 ( -0.358 -0.209 -1.087) 1.164 5.175 ( 0.690 0.262 0.891) 1.157 5.181 ( 0.242 -0.006 0.634) 0.679 5.193 ( 0.053 0.216 -0.188) 0.291 5.197 ( -0.287 0.043 -0.539) 0.612 5.271 ( -0.191 -0.235 -0.666) 0.732 5.275 ( -0.110 -0.405 -0.817) 0.918 5.299 ( -0.175 0.116 -0.222) 0.306 5.302 ( 0.039 0.064 -0.372) 0.380 5.396 ( 0.311 0.253 0.239) 0.467 5.404 ( -0.716 0.286 -0.372) 0.856 5.408 ( 0.453 -0.197 -0.109) 0.506 5.412 ( -0.625 -0.000 -0.367) 0.725 5.523 ( 0.832 1.078 0.700) 1.531 5.551 ( -1.391 0.017 -1.587) 2.111 5.607 ( 0.300 -0.156 0.891) 0.953 5.628 ( 0.329 -0.960 -0.613) 1.185 5.661 ( 1.863 0.027 1.638) 2.481 5.674 ( 0.903 -0.548 1.067) 1.502 5.703 ( -1.361 -0.007 -1.845) 2.293 5.710 ( -1.526 -0.242 -1.642) 2.255 5.867 ( -0.300 0.340 0.346) 0.570 5.872 ( 0.145 0.074 -0.101) 0.191 5.885 ( 0.073 0.384 0.040) 0.393 5.886 ( 0.129 0.289 -0.060) 0.322 6.061 ( 0.593 0.118 1.070) 1.229 6.069 ( 0.576 -0.242 1.010) 1.187 6.081 ( -0.229 0.179 -0.561) 0.632 6.091 ( -0.462 -0.316 -0.738) 0.926 6.103 ( 0.518 0.117 0.655) 0.843 6.117 ( -0.093 -0.553 0.027) 0.561 6.135 ( -0.161 0.311 -0.487) 0.600 6.142 ( -0.263 -0.024 -0.600) 0.655 6.397 ( -0.113 1.030 0.196) 1.055 6.402 ( 0.100 0.952 -0.194) 0.977 6.611 ( 1.247 0.635 1.685) 2.190 6.661 ( -1.331 -1.280 -2.427) 3.050 6.747 ( -0.161 0.233 0.138) 0.315 6.760 ( -0.429 -0.167 -0.724) 0.858 6.862 ( 1.082 0.733 1.649) 2.104 6.897 ( -0.638 -0.679 -1.231) 1.544 7.242 ( 0.448 0.414 0.602) 0.857 7.253 ( -0.345 0.136 -0.441) 0.576 7.286 ( 0.012 -0.536 0.698) 0.880 7.293 ( 0.098 -0.933 0.121) 0.946 7.510 ( 0.109 -0.030 0.236) 0.262 7.516 ( 0.350 -0.287 -0.224) 0.505 7.520 ( -0.113 0.044 0.082) 0.146 7.525 ( -0.352 -0.045 -0.258) 0.439 7.785 ( 0.093 -0.112 0.248) 0.288 7.787 ( -0.061 -0.147 0.126) 0.204 7.832 ( 0.449 0.118 0.615) 0.771 7.845 ( -0.486 -0.451 -0.479) 0.818 7.955 ( -0.094 0.562 0.569) 0.806 7.966 ( 0.138 0.458 0.599) 0.767 7.976 ( 0.630 0.633 -0.958) 1.310 7.990 ( -0.529 0.459 -0.985) 1.208 8.021 ( -0.835 -0.002 0.359) 0.909 8.032 ( 0.608 0.176 -0.636) 0.898 8.057 ( 0.462 -0.681 0.465) 0.945 8.067 ( -0.459 -0.616 -0.391) 0.862 8.832 ( 0.136 0.718 0.107) 0.739 8.836 ( -0.112 0.482 -0.197) 0.533 8.868 ( -0.534 -0.459 0.058) 0.707 8.873 ( 0.412 -0.580 -0.257) 0.757 8.990 ( -0.213 0.521 0.913) 1.072 9.013 ( 0.274 0.077 -0.755) 0.807 9.035 ( 0.220 -0.273 1.098) 1.152 9.061 ( -0.389 -0.848 -0.754) 1.200 ======================= Grid point 45 (23/30) ======================= q-point: (-0.33 0.25 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -3.272 2.528 -1.799) 4.510 0.264 ( -2.219 0.816 1.149) 2.628 0.322 ( 0.256 0.286 -0.259) 0.463 0.334 ( -0.051 0.217 -0.514) 0.560 0.377 ( -9.281 2.796 -1.560) 9.818 0.548 ( -6.291 1.507 2.699) 7.009 0.567 ( -3.368 0.367 -5.041) 6.074 0.610 ( -3.570 -0.874 -2.073) 4.220 0.654 ( 1.707 -0.116 4.316) 4.643 0.662 ( -3.106 -1.176 -3.013) 4.484 0.685 ( -4.819 -0.104 -4.239) 6.419 0.720 ( -0.128 0.232 0.582) 0.639 0.747 ( 0.213 -2.878 1.583) 3.291 0.777 ( -1.737 -1.158 1.300) 2.459 0.806 ( -0.752 -1.677 -3.301) 3.778 0.813 ( -0.102 -0.861 1.804) 2.002 0.835 ( -2.825 -3.490 -0.393) 4.508 0.859 ( -1.972 1.131 -0.584) 2.347 0.868 ( -1.460 0.282 -1.232) 1.931 0.891 ( -0.706 -0.408 -1.902) 2.069 0.903 ( 0.285 -2.484 -0.674) 2.589 0.913 ( -0.445 -0.834 -1.011) 1.384 0.942 ( -0.048 0.638 -2.346) 2.431 0.952 ( 0.341 0.257 -0.724) 0.841 0.964 ( -1.112 -0.080 -1.043) 1.527 0.986 ( -1.779 -0.015 -2.448) 3.026 0.993 ( 0.124 -0.683 -2.133) 2.243 1.017 ( -0.662 0.351 0.959) 1.217 1.044 ( -0.295 -0.365 0.667) 0.815 1.071 ( -3.872 -1.075 0.411) 4.039 1.087 ( 1.935 0.230 3.781) 4.253 1.101 ( -0.499 -0.031 0.770) 0.918 1.124 ( -0.848 0.401 2.806) 2.959 1.151 ( 0.412 0.436 -2.775) 2.839 1.165 ( -1.008 -1.811 0.914) 2.265 1.189 ( 0.204 0.483 0.099) 0.533 1.201 ( -0.413 1.001 2.077) 2.343 1.209 ( 0.735 0.433 0.355) 0.925 1.227 ( -0.539 -0.368 -0.589) 0.879 1.271 ( 0.558 -1.028 -1.159) 1.647 1.293 ( 1.652 1.262 0.478) 2.133 1.310 ( 1.353 -0.665 -1.893) 2.419 1.343 ( -0.071 -0.303 -0.849) 0.904 1.368 ( -1.157 -0.616 -3.166) 3.426 1.419 ( 0.781 -0.568 2.860) 3.019 1.454 ( 3.509 -0.993 1.732) 4.037 1.495 ( 0.344 1.318 0.724) 1.543 1.515 ( -1.585 0.220 -0.860) 1.817 1.554 ( -1.662 -0.343 -2.168) 2.753 1.561 ( 4.171 1.298 4.790) 6.483 1.585 ( -2.512 -0.044 0.434) 2.550 1.630 ( -1.192 1.738 -0.036) 2.108 1.634 ( -0.333 -1.227 1.046) 1.646 1.668 ( 2.387 2.495 -0.368) 3.472 1.695 ( -0.037 -1.514 5.592) 5.793 1.714 ( 1.971 0.256 0.181) 1.996 1.750 ( 1.142 -0.742 -1.112) 1.759 1.770 ( 0.696 -0.633 0.614) 1.123 1.830 ( 2.711 1.052 0.494) 2.950 1.875 ( 1.331 -0.724 0.011) 1.515 1.920 ( 5.618 0.632 5.668) 8.005 1.929 ( 4.369 0.163 5.451) 6.988 2.051 ( -0.579 -1.176 -3.247) 3.501 2.056 ( -0.106 -1.039 -1.321) 1.684 2.100 ( -0.405 0.823 -0.917) 1.297 2.130 ( 0.449 -0.211 0.540) 0.733 2.219 ( 0.338 -0.171 -0.387) 0.542 2.246 ( 0.980 -0.381 1.133) 1.546 2.298 ( -1.271 -0.126 -3.323) 3.560 2.315 ( -1.396 -0.302 -2.809) 3.151 2.338 ( 0.703 1.033 1.226) 1.751 2.349 ( 0.545 0.789 1.993) 2.212 2.381 ( -0.361 -0.797 2.141) 2.313 2.392 ( 0.465 -0.320 0.495) 0.751 2.417 ( -1.167 -0.330 -1.319) 1.792 2.446 ( -0.372 -1.319 -0.703) 1.540 2.510 ( -2.024 0.532 -2.242) 3.067 2.520 ( -1.835 0.184 -2.558) 3.154 2.541 ( -0.153 0.723 0.672) 0.999 2.554 ( -2.884 1.728 -2.428) 4.147 2.579 ( 0.962 -0.281 0.379) 1.071 2.635 ( -1.656 -1.132 -1.501) 2.505 2.652 ( -1.202 0.260 0.215) 1.248 2.686 ( -0.935 -1.351 0.519) 1.723 2.716 ( 1.027 1.200 -0.386) 1.625 2.730 ( 0.210 0.853 0.320) 0.935 2.766 ( 1.340 -1.616 0.475) 2.153 2.783 ( 1.529 -0.882 0.614) 1.869 2.814 ( -0.641 0.954 -1.229) 1.683 2.831 ( -1.519 0.471 -1.617) 2.268 2.850 ( 0.334 -0.634 -0.556) 0.907 2.864 ( -1.466 -0.676 -1.644) 2.304 2.920 ( 1.644 0.058 1.719) 2.380 2.937 ( 1.564 0.831 1.599) 2.386 2.948 ( 2.370 -0.762 2.582) 3.587 2.968 ( 1.368 0.231 0.943) 1.678 3.015 ( -1.308 -0.836 -1.574) 2.210 3.028 ( -0.952 -0.048 -0.418) 1.040 3.057 ( -2.030 0.819 -3.413) 4.054 3.083 ( -1.644 -0.769 -2.158) 2.820 3.111 ( 0.822 1.084 2.124) 2.523 3.139 ( 1.180 0.455 1.467) 1.937 3.188 ( 0.485 0.727 0.957) 1.296 3.223 ( 0.376 0.009 0.605) 0.712 3.252 ( -0.545 -0.049 -0.264) 0.607 3.264 ( 0.388 -0.860 -1.114) 1.460 3.290 ( 1.286 1.028 1.682) 2.354 3.329 ( -0.444 -0.227 0.134) 0.517 3.339 ( -0.494 -0.194 -1.760) 1.838 3.350 ( 1.971 -0.116 1.399) 2.420 3.359 ( 1.004 0.342 1.577) 1.900 3.376 ( 0.960 -0.302 2.080) 2.311 3.455 ( -0.615 0.190 -0.963) 1.158 3.491 ( 0.902 -1.206 0.318) 1.539 3.511 ( -1.436 0.153 -1.764) 2.280 3.521 ( -0.331 0.205 -0.328) 0.509 3.677 ( -0.359 -0.070 -1.279) 1.330 3.699 ( 1.288 -0.952 0.534) 1.688 3.733 ( 0.131 1.631 -0.498) 1.710 3.762 ( 1.955 0.750 0.995) 2.318 3.803 ( -0.806 -0.277 -0.656) 1.076 3.809 ( -0.140 -0.338 -0.693) 0.784 3.840 ( -0.510 0.659 -0.739) 1.113 3.864 ( 0.682 -0.318 1.408) 1.596 4.138 ( -0.094 0.415 -0.716) 0.833 4.146 ( 0.071 0.039 -0.478) 0.485 4.152 ( 0.488 0.297 0.759) 0.950 4.157 ( 0.512 0.097 0.545) 0.754 4.305 ( 0.134 0.206 0.302) 0.389 4.311 ( 0.404 -0.111 -0.041) 0.421 4.321 ( 0.094 -0.081 0.024) 0.127 4.324 ( 0.169 -0.185 -0.256) 0.358 4.405 ( -0.337 1.068 -0.510) 1.230 4.424 ( 1.005 1.003 1.290) 1.918 4.451 ( -0.350 -0.803 -0.730) 1.140 4.466 ( 0.618 -0.649 1.027) 1.363 4.587 ( -1.581 -0.410 -2.413) 2.914 4.603 ( -1.297 -1.140 -1.327) 2.178 4.652 ( 0.683 0.776 1.281) 1.646 4.665 ( 0.851 0.102 1.272) 1.534 4.833 ( -0.565 0.409 -0.226) 0.734 4.857 ( -0.527 -0.523 -0.292) 0.798 4.866 ( 0.745 0.380 0.009) 0.837 4.884 ( 0.686 -0.221 0.450) 0.849 5.013 ( 0.768 0.017 -0.985) 1.249 5.020 ( 0.907 -0.335 -0.429) 1.058 5.029 ( 1.317 0.192 0.412) 1.393 5.035 ( 1.495 -0.101 0.999) 1.801 5.173 ( -0.975 0.150 -1.054) 1.443 5.181 ( -0.620 -0.139 -0.569) 0.853 5.184 ( -0.526 0.359 0.069) 0.640 5.192 ( -0.071 0.066 0.472) 0.482 5.254 ( -1.429 -0.296 0.395) 1.512 5.256 ( -1.430 -0.382 0.071) 1.482 5.281 ( -1.438 0.561 0.130) 1.549 5.293 ( -0.967 -0.134 -0.158) 0.989 5.394 ( -0.166 0.299 -0.082) 0.352 5.399 ( -0.369 0.052 -0.011) 0.372 5.416 ( 1.370 0.178 0.670) 1.535 5.424 ( 1.249 -0.175 0.313) 1.299 5.520 ( -0.683 0.941 -0.883) 1.460 5.554 ( 1.251 -0.093 1.512) 1.965 5.609 ( -0.303 -0.337 -0.124) 0.469 5.625 ( -0.152 -0.214 -0.818) 0.859 5.655 ( -1.789 0.049 -2.345) 2.950 5.676 ( -0.109 -0.918 -0.613) 1.109 5.708 ( 1.803 0.084 1.616) 2.423 5.719 ( 1.839 -0.329 1.471) 2.377 5.863 ( -0.380 0.388 0.277) 0.610 5.872 ( -0.097 -0.116 0.013) 0.152 5.885 ( -0.006 0.390 -0.125) 0.410 5.886 ( -0.101 0.257 -0.203) 0.343 6.064 ( -0.812 -0.009 -1.132) 1.393 6.072 ( -0.754 -0.285 -1.224) 1.465 6.081 ( 0.621 0.253 0.563) 0.876 6.089 ( 0.615 -0.213 0.945) 1.147 6.104 ( -0.216 0.005 -0.512) 0.555 6.118 ( 0.041 -0.525 -0.027) 0.527 6.131 ( -0.072 0.328 0.241) 0.413 6.139 ( 0.062 0.129 0.323) 0.354 6.399 ( 0.058 1.124 0.213) 1.145 6.403 ( 0.233 0.893 -0.193) 0.943 6.617 ( -0.897 0.519 -2.012) 2.264 6.659 ( 1.816 -1.167 1.998) 2.941 6.752 ( 0.330 0.255 0.185) 0.456 6.762 ( 0.912 -0.042 0.698) 1.149 6.862 ( -1.590 0.514 -1.849) 2.492 6.889 ( 0.391 -0.627 1.181) 1.393 7.235 ( -0.909 0.200 -0.297) 0.977 7.258 ( 0.491 0.035 0.054) 0.495 7.276 ( -1.219 -0.869 0.008) 1.497 7.293 ( -0.319 -0.525 -0.044) 0.616 7.508 ( -0.155 0.295 -0.229) 0.405 7.521 ( 0.543 0.341 0.188) 0.668 7.525 ( 0.840 -0.289 -0.019) 0.889 7.544 ( 1.519 -0.515 -0.024) 1.604 7.783 ( -0.051 -0.097 0.087) 0.141 7.798 ( 0.818 -0.141 0.010) 0.830 7.834 ( -0.059 0.032 -0.457) 0.462 7.852 ( 0.900 -0.442 0.575) 1.155 7.962 ( 0.387 0.985 0.347) 1.114 7.970 ( 0.261 0.432 -0.836) 0.976 7.977 ( 0.169 0.382 -0.339) 0.538 7.988 ( 0.796 0.782 0.353) 1.170 8.006 ( -0.742 -0.014 0.574) 0.938 8.047 ( 0.626 -0.503 -0.340) 0.872 8.053 ( 0.023 -0.048 -0.119) 0.130 8.074 ( 0.848 -0.636 0.259) 1.091 8.828 ( -0.429 0.370 -0.045) 0.568 8.839 ( 0.275 0.565 -0.120) 0.640 8.860 ( -0.431 -0.102 0.485) 0.657 8.880 ( 0.500 -0.499 -0.201) 0.735 8.993 ( -0.478 0.566 0.944) 1.200 9.007 ( 0.115 0.276 -1.017) 1.060 9.042 ( -0.477 -0.636 -0.515) 0.947 9.054 ( 0.209 -1.134 0.967) 1.505 ======================= Grid point 46 (24/30) ======================= q-point: (-0.17 0.25 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.156 ( -0.879 2.879 -0.746) 3.101 0.195 ( -2.104 1.760 0.712) 2.834 0.281 ( -0.751 6.292 6.549) 9.112 0.312 ( -3.102 2.068 1.627) 4.068 0.327 ( 0.390 0.374 -0.113) 0.552 0.372 ( -4.626 4.704 0.627) 6.627 0.522 ( -0.455 1.124 -2.059) 2.390 0.546 ( -1.459 -2.641 1.555) 3.394 0.580 ( -9.118 5.363 5.310) 11.836 0.599 ( -0.562 -1.149 0.621) 1.422 0.668 ( -3.501 -2.104 2.484) 4.780 0.724 ( -2.921 -0.669 3.424) 4.550 0.736 ( -2.191 -1.950 -4.408) 5.295 0.755 ( -1.127 0.366 0.983) 1.540 0.772 ( -0.747 -0.534 -1.862) 2.076 0.792 ( 0.059 -1.834 -0.795) 2.000 0.824 ( 0.534 -0.369 0.504) 0.822 0.825 ( 0.668 -1.784 0.585) 1.993 0.857 ( -0.744 -0.019 0.259) 0.788 0.869 ( -2.059 -1.715 0.492) 2.724 0.881 ( 0.530 -0.806 -2.609) 2.782 0.892 ( -0.235 0.265 0.712) 0.795 0.917 ( 0.527 -0.112 -0.496) 0.732 0.941 ( -0.611 -0.475 -0.252) 0.814 0.960 ( 0.804 -0.122 -1.257) 1.497 0.973 ( 2.109 0.367 -0.281) 2.159 0.986 ( 0.417 -0.701 -1.412) 1.630 0.999 ( -1.538 -0.656 0.247) 1.691 1.016 ( -1.620 0.315 -0.051) 1.651 1.057 ( -0.058 -0.218 0.277) 0.358 1.065 ( -2.198 -0.702 1.003) 2.516 1.109 ( -0.005 -1.584 -3.319) 3.677 1.128 ( -0.735 1.019 -0.008) 1.256 1.145 ( 0.939 -0.220 -0.338) 1.022 1.147 ( -0.005 0.175 -1.655) 1.664 1.185 ( -0.273 0.148 0.984) 1.032 1.206 ( 1.014 -0.781 1.932) 2.317 1.242 ( 0.725 -2.028 -1.253) 2.492 1.254 ( 0.251 0.036 1.597) 1.617 1.270 ( 0.652 -0.208 0.944) 1.166 1.294 ( 0.125 -0.912 -1.884) 2.097 1.322 ( 1.438 0.010 -0.227) 1.456 1.329 ( -0.267 0.538 -1.136) 1.285 1.349 ( 0.863 -1.111 1.343) 1.945 1.452 ( -0.028 -0.060 0.685) 0.689 1.469 ( -1.042 -1.816 -0.481) 2.148 1.483 ( -0.073 0.148 -1.787) 1.795 1.510 ( -0.830 -1.289 -1.169) 1.928 1.534 ( 0.641 -0.032 0.009) 0.642 1.553 ( -1.307 -1.526 -0.226) 2.022 1.608 ( -0.878 0.899 -0.633) 1.407 1.645 ( 1.509 0.606 2.690) 3.143 1.664 ( -1.906 0.785 -2.419) 3.178 1.681 ( -0.636 0.356 0.091) 0.735 1.690 ( -0.525 -0.240 -1.472) 1.581 1.747 ( 0.970 0.464 -0.255) 1.105 1.759 ( -1.054 2.567 -0.650) 2.850 1.822 ( 2.001 -2.124 4.150) 5.074 1.904 ( 1.418 0.628 0.342) 1.588 1.921 ( 1.190 -0.030 0.690) 1.376 2.039 ( 1.848 -0.232 -1.352) 2.302 2.055 ( 2.473 -0.857 0.478) 2.660 2.060 ( 2.047 1.108 2.123) 3.150 2.076 ( 1.573 -0.418 0.441) 1.686 2.099 ( -0.219 -0.657 -0.534) 0.874 2.102 ( 0.841 0.708 -0.039) 1.100 2.213 ( -1.726 0.297 -2.515) 3.064 2.246 ( -0.598 -0.948 -3.062) 3.261 2.260 ( 0.532 -1.024 0.522) 1.267 2.279 ( -0.236 -0.906 -0.528) 1.075 2.307 ( -2.440 0.494 -2.831) 3.770 2.320 ( 0.512 -0.588 2.369) 2.494 2.365 ( -1.832 1.105 -0.694) 2.249 2.393 ( -0.946 0.139 1.248) 1.572 2.401 ( 0.425 0.788 0.690) 1.130 2.431 ( 0.944 -0.757 0.817) 1.460 2.462 ( -0.825 -0.412 -0.173) 0.938 2.471 ( 0.196 -0.766 1.656) 1.835 2.544 ( 0.065 1.264 -0.022) 1.266 2.554 ( -0.484 1.771 1.065) 2.123 2.581 ( 0.218 -0.148 -0.683) 0.732 2.619 ( 0.603 -1.576 0.416) 1.738 2.657 ( 0.600 -0.779 0.430) 1.074 2.678 ( -0.835 -0.715 3.398) 3.571 2.703 ( 0.132 1.715 0.509) 1.794 2.753 ( -0.008 0.100 -0.093) 0.137 2.792 ( 1.402 -0.994 -0.574) 1.812 2.808 ( 0.879 -0.558 -0.295) 1.082 2.813 ( 0.668 -0.402 1.134) 1.376 2.825 ( -0.100 -0.797 0.254) 0.842 2.850 ( 0.706 0.044 0.408) 0.817 2.855 ( 0.748 0.000 0.279) 0.798 2.943 ( -0.624 0.017 -0.714) 0.948 2.952 ( 0.527 0.207 0.043) 0.568 2.963 ( -0.459 0.695 -0.514) 0.979 2.989 ( -0.270 -0.051 -1.363) 1.390 2.996 ( 0.614 0.078 0.635) 0.887 3.010 ( 0.864 -0.596 0.302) 1.092 3.031 ( -0.462 -0.455 -0.262) 0.700 3.036 ( -1.263 -0.488 -1.435) 1.973 3.117 ( -0.852 1.913 -1.074) 2.354 3.147 ( 0.034 -0.186 0.690) 0.716 3.197 ( -0.336 0.953 0.503) 1.128 3.227 ( -0.229 -0.155 1.737) 1.759 3.267 ( 0.269 -0.000 -0.383) 0.468 3.282 ( 1.295 -0.495 0.119) 1.391 3.318 ( 0.001 0.522 -0.309) 0.606 3.324 ( 0.329 -0.369 -0.514) 0.713 3.329 ( 0.840 0.954 0.565) 1.391 3.365 ( -0.582 1.119 0.625) 1.407 3.385 ( -0.614 -0.742 -0.941) 1.346 3.412 ( -1.062 -0.902 -0.897) 1.657 3.449 ( 0.052 0.761 -0.833) 1.130 3.464 ( 0.988 -0.068 1.466) 1.769 3.491 ( 0.370 -0.369 1.134) 1.249 3.531 ( -0.053 -1.528 -0.050) 1.530 3.674 ( 0.597 1.384 1.167) 1.906 3.727 ( 0.936 -0.390 0.623) 1.190 3.747 ( 0.967 0.623 0.133) 1.158 3.771 ( -0.450 -0.292 -0.788) 0.953 3.798 ( 0.242 -0.218 -0.364) 0.489 3.803 ( 1.012 -0.363 -0.260) 1.106 3.840 ( 0.497 1.582 0.291) 1.683 3.877 ( -0.137 -0.183 0.250) 0.339 4.135 ( 0.274 0.197 -0.429) 0.546 4.145 ( 0.398 -0.300 -0.350) 0.610 4.164 ( -0.047 0.277 0.185) 0.337 4.166 ( 0.226 0.227 0.132) 0.346 4.311 ( 0.071 0.247 0.335) 0.422 4.320 ( 0.309 -0.029 0.315) 0.442 4.322 ( 0.093 -0.001 -0.306) 0.320 4.324 ( 0.268 -0.053 -0.047) 0.277 4.400 ( 0.005 0.854 -0.031) 0.855 4.443 ( 0.088 -0.819 -0.343) 0.892 4.453 ( 0.287 0.625 0.265) 0.737 4.475 ( -0.156 -0.124 -0.563) 0.597 4.554 ( 0.102 -0.470 -0.013) 0.481 4.569 ( -0.479 -1.122 0.055) 1.222 4.671 ( -0.101 0.612 0.453) 0.768 4.682 ( 0.062 0.224 0.023) 0.234 4.827 ( 0.074 0.178 -0.048) 0.199 4.843 ( -0.397 -0.435 -0.285) 0.654 4.870 ( 0.196 0.613 -1.219) 1.379 4.888 ( 0.111 -0.173 -1.117) 1.136 5.027 ( 1.566 0.039 -0.341) 1.603 5.032 ( 1.290 -0.169 -0.359) 1.350 5.066 ( 1.720 0.128 0.384) 1.767 5.072 ( 1.507 -0.098 0.380) 1.557 5.157 ( 0.055 0.172 0.180) 0.256 5.169 ( -0.320 -0.284 0.004) 0.428 5.172 ( -0.612 0.233 -0.085) 0.660 5.181 ( -0.961 -0.129 -0.343) 1.028 5.232 ( -1.703 -0.169 0.791) 1.885 5.232 ( -1.800 -0.239 0.985) 2.066 5.254 ( -1.630 0.518 -0.074) 1.711 5.266 ( -1.371 -0.200 -0.552) 1.491 5.396 ( 0.119 0.187 0.628) 0.666 5.409 ( 0.702 -0.702 1.997) 2.230 5.445 ( 0.857 0.135 0.104) 0.873 5.452 ( 1.340 -0.072 0.121) 1.347 5.515 ( 0.235 1.122 0.697) 1.342 5.573 ( -0.295 -1.124 -0.119) 1.168 5.605 ( -0.576 -0.017 -0.746) 0.942 5.611 ( 0.288 -0.277 0.454) 0.604 5.631 ( 0.545 0.856 1.342) 1.683 5.683 ( 0.623 -1.296 -0.006) 1.438 5.742 ( 0.541 -0.086 0.003) 0.548 5.746 ( 0.481 -0.143 -0.280) 0.575 5.860 ( -0.248 0.384 0.320) 0.558 5.871 ( -0.105 -0.117 -0.097) 0.185 5.879 ( -0.270 0.371 -0.180) 0.492 5.883 ( -0.008 0.192 -0.119) 0.226 6.043 ( -0.145 -0.036 -0.141) 0.205 6.053 ( 0.010 -0.480 0.094) 0.489 6.093 ( 0.240 0.517 -0.016) 0.571 6.102 ( 0.115 -0.111 -0.303) 0.342 6.104 ( 0.287 0.033 0.376) 0.475 6.110 ( -0.093 -0.497 -0.044) 0.507 6.137 ( -0.153 0.214 0.291) 0.392 6.139 ( -0.246 0.353 0.141) 0.453 6.402 ( 0.044 1.098 0.175) 1.112 6.406 ( 0.204 0.829 -0.185) 0.874 6.601 ( 0.441 1.325 -0.049) 1.397 6.696 ( 0.637 -3.008 0.659) 3.144 6.772 ( 0.310 0.334 0.112) 0.469 6.779 ( 0.514 0.469 -0.010) 0.696 6.823 ( -0.551 1.758 -0.016) 1.843 6.896 ( -0.376 -1.379 0.236) 1.449 7.216 ( -0.840 0.261 -0.003) 0.880 7.251 ( -1.013 -1.020 -0.705) 1.601 7.261 ( -0.178 0.322 0.137) 0.393 7.282 ( -0.581 -0.637 -0.202) 0.885 7.508 ( 0.276 0.814 0.098) 0.865 7.532 ( 0.442 0.740 -0.169) 0.878 7.544 ( 0.915 -0.703 0.508) 1.261 7.566 ( 1.061 -0.622 -0.053) 1.231 7.785 ( 0.063 0.024 0.172) 0.185 7.810 ( 0.590 -0.301 -0.502) 0.832 7.834 ( 0.309 0.230 -0.179) 0.426 7.866 ( 0.333 -0.818 -0.183) 0.902 7.967 ( 0.424 0.855 -0.214) 0.978 7.974 ( -0.002 1.063 0.024) 1.064 7.978 ( 0.545 0.410 -0.125) 0.694 8.004 ( 0.257 0.645 0.193) 0.721 8.025 ( 1.667 -0.136 2.204) 2.767 8.042 ( 0.136 -0.963 0.107) 0.978 8.066 ( 0.606 0.204 -0.157) 0.658 8.092 ( 0.967 -0.804 0.203) 1.274 8.821 ( -0.416 0.238 0.330) 0.582 8.838 ( -0.112 -0.066 -0.069) 0.147 8.866 ( 0.355 0.727 0.094) 0.815 8.884 ( 0.325 -0.155 -0.721) 0.806 8.991 ( -0.712 0.462 0.796) 1.164 9.002 ( 0.305 0.155 -0.858) 0.924 9.030 ( -0.130 -0.347 -0.627) 0.728 9.055 ( -1.352 -2.001 0.167) 2.421 ======================= Grid point 47 (25/30) ======================= q-point: ( 0.00 -0.50 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.157 ( -0.131 -0.693 0.281) 0.759 0.157 ( -0.131 0.693 0.281) 0.759 0.338 ( 0.332 -0.692 0.269) 0.813 0.338 ( 0.332 0.692 0.269) 0.813 0.456 ( -4.330 -5.475 6.678) 9.660 0.456 ( -4.330 5.475 6.678) 9.660 0.552 ( 0.208 -1.541 -0.368) 1.598 0.552 ( 0.208 1.541 -0.368) 1.598 0.574 ( 1.116 -5.357 3.505) 6.498 0.574 ( 1.116 5.357 3.505) 6.498 0.670 ( 2.123 -2.203 -3.077) 4.340 0.670 ( 2.123 2.203 -3.077) 4.340 0.738 ( 1.467 -3.108 0.546) 3.480 0.738 ( 1.467 3.108 0.546) 3.480 0.768 ( 0.407 -1.413 1.728) 2.269 0.768 ( 0.407 1.413 1.728) 2.269 0.818 ( -1.388 -0.620 2.051) 2.552 0.818 ( -1.388 0.620 2.051) 2.552 0.877 ( 2.543 -1.176 2.229) 3.580 0.877 ( 2.543 1.176 2.229) 3.580 0.901 ( 2.186 -0.560 -1.410) 2.661 0.901 ( 2.186 0.560 -1.410) 2.661 0.937 ( -0.400 -0.732 1.005) 1.306 0.937 ( -0.400 0.732 1.005) 1.306 0.956 ( 0.954 -1.118 0.110) 1.474 0.956 ( 0.954 1.118 0.110) 1.474 0.992 ( 0.051 -0.854 1.251) 1.516 0.992 ( 0.051 0.854 1.251) 1.516 1.046 ( 0.126 -1.529 0.854) 1.756 1.046 ( 0.126 1.529 0.854) 1.756 1.070 ( 0.841 -1.876 1.700) 2.668 1.070 ( 0.841 1.876 1.700) 2.668 1.111 ( 0.060 -0.871 -2.087) 2.262 1.111 ( 0.060 0.871 -2.087) 2.262 1.149 ( -0.934 -1.499 -1.205) 2.139 1.149 ( -0.934 1.499 -1.205) 2.139 1.226 ( 0.882 -1.315 1.383) 2.102 1.226 ( 0.882 1.315 1.383) 2.102 1.278 ( -1.350 -0.963 0.856) 1.866 1.278 ( -1.350 0.963 0.856) 1.866 1.298 ( 1.128 -1.730 -2.755) 3.443 1.298 ( 1.128 1.730 -2.755) 3.443 1.365 ( 1.264 -1.117 0.588) 1.786 1.365 ( 1.264 1.117 0.588) 1.786 1.416 ( -2.050 -0.368 0.724) 2.205 1.416 ( -2.050 0.368 0.724) 2.205 1.476 ( -1.194 -0.939 -3.608) 3.915 1.476 ( -1.194 0.939 -3.608) 3.915 1.502 ( -2.373 -1.037 -4.256) 4.982 1.502 ( -2.373 1.037 -4.256) 4.982 1.557 ( 0.736 -2.036 -0.646) 2.259 1.557 ( 0.736 2.036 -0.646) 2.259 1.700 ( -1.320 -0.803 -0.789) 1.735 1.700 ( -1.320 0.803 -0.789) 1.735 1.722 ( 0.499 -1.107 1.654) 2.051 1.722 ( 0.499 1.107 1.654) 2.051 1.770 ( -1.168 -1.409 -0.396) 1.872 1.770 ( -1.168 1.409 -0.396) 1.872 1.910 ( -0.075 -0.537 -0.690) 0.878 1.910 ( -0.075 0.537 -0.690) 0.878 1.964 ( -4.643 -0.812 -5.510) 7.251 1.964 ( -4.643 0.812 -5.510) 7.251 2.080 ( 1.100 -0.247 1.371) 1.775 2.080 ( 1.100 0.247 1.371) 1.775 2.111 ( 0.154 -0.649 -0.403) 0.779 2.111 ( 0.154 0.649 -0.403) 0.779 2.252 ( 2.562 -0.648 1.072) 2.852 2.252 ( 2.562 0.648 1.072) 2.852 2.259 ( 0.897 -0.524 0.875) 1.358 2.259 ( 0.897 0.524 0.875) 1.358 2.334 ( -2.461 -1.280 -1.727) 3.267 2.334 ( -2.461 1.280 -1.727) 3.267 2.407 ( 1.113 -0.729 2.450) 2.788 2.407 ( 1.113 0.729 2.450) 2.788 2.424 ( 0.929 -0.815 0.955) 1.562 2.424 ( 0.929 0.815 0.955) 1.562 2.509 ( 1.486 -0.659 1.929) 2.522 2.509 ( 1.486 0.659 1.929) 2.522 2.553 ( -0.436 -0.782 -0.983) 1.329 2.553 ( -0.436 0.782 -0.983) 1.329 2.603 ( 1.229 -1.495 2.382) 3.070 2.603 ( 1.229 1.495 2.382) 3.070 2.656 ( -0.881 -1.142 0.003) 1.442 2.656 ( -0.881 1.142 0.003) 1.442 2.761 ( 0.260 -1.349 1.143) 1.787 2.761 ( 0.260 1.349 1.143) 1.787 2.791 ( -0.564 -0.713 -0.674) 1.132 2.791 ( -0.564 0.713 -0.674) 1.132 2.817 ( 0.860 -0.888 1.411) 1.876 2.817 ( 0.860 0.888 1.411) 1.876 2.881 ( 0.679 -0.203 0.706) 1.001 2.881 ( 0.679 0.203 0.706) 1.001 2.932 ( -1.057 -0.455 -1.255) 1.703 2.932 ( -1.057 0.455 -1.255) 1.703 2.956 ( -1.299 -1.019 -1.435) 2.188 2.956 ( -1.299 1.019 -1.435) 2.188 2.995 ( 0.729 -0.950 -0.504) 1.299 2.995 ( 0.729 0.950 -0.504) 1.299 3.071 ( 2.264 -0.460 2.939) 3.739 3.071 ( 2.264 0.460 2.939) 3.739 3.124 ( -0.511 -1.122 -0.909) 1.532 3.124 ( -0.511 1.122 -0.909) 1.532 3.227 ( -0.379 -0.492 1.158) 1.314 3.227 ( -0.379 0.492 1.158) 1.314 3.268 ( -0.519 -0.826 -1.063) 1.443 3.268 ( -0.519 0.826 -1.063) 1.443 3.322 ( -0.914 -0.869 -0.644) 1.416 3.322 ( -0.914 0.869 -0.644) 1.416 3.337 ( 0.028 -0.250 -1.378) 1.400 3.337 ( 0.028 0.250 -1.378) 1.400 3.370 ( -0.517 -0.658 -0.024) 0.837 3.370 ( -0.517 0.658 -0.024) 0.837 3.472 ( 0.452 -1.731 0.515) 1.861 3.472 ( 0.452 1.731 0.515) 1.861 3.510 ( 0.276 -0.748 0.147) 0.810 3.510 ( 0.276 0.748 0.147) 0.810 3.728 ( 0.251 -0.875 1.454) 1.715 3.728 ( 0.251 0.875 1.454) 1.715 3.767 ( 0.524 -1.073 -0.105) 1.199 3.767 ( 0.524 1.073 -0.105) 1.199 3.795 ( -0.239 -0.708 -0.748) 1.057 3.795 ( -0.239 0.708 -0.748) 1.057 3.869 ( -0.186 -0.332 0.187) 0.424 3.869 ( -0.186 0.332 0.187) 0.424 4.140 ( 0.193 -0.190 -0.388) 0.473 4.140 ( 0.193 0.190 -0.388) 0.473 4.166 ( -0.261 -0.096 0.074) 0.287 4.166 ( -0.261 0.096 0.074) 0.287 4.318 ( -0.088 -0.305 0.070) 0.325 4.318 ( -0.088 0.305 0.070) 0.325 4.327 ( 0.070 -0.218 0.092) 0.247 4.327 ( 0.070 0.218 0.092) 0.247 4.426 ( 0.459 -1.239 0.284) 1.351 4.426 ( 0.459 1.239 0.284) 1.351 4.445 ( -0.949 -0.961 -1.191) 1.801 4.445 ( -0.949 0.961 -1.191) 1.801 4.581 ( 1.280 -0.080 1.521) 1.990 4.581 ( 1.280 0.080 1.521) 1.990 4.668 ( -0.727 -0.258 -0.734) 1.065 4.668 ( -0.727 0.258 -0.734) 1.065 4.836 ( 0.203 -0.307 0.487) 0.610 4.836 ( 0.203 0.307 0.487) 0.610 4.865 ( -0.299 -0.327 -1.719) 1.775 4.865 ( -0.299 0.327 -1.719) 1.775 5.056 ( 1.087 -0.146 0.684) 1.292 5.056 ( 1.087 0.146 0.684) 1.292 5.074 ( -1.104 -0.132 -0.697) 1.313 5.074 ( -1.104 0.132 -0.697) 1.313 5.164 ( 0.167 -0.094 0.074) 0.206 5.164 ( 0.167 0.094 0.074) 0.206 5.171 ( 0.106 -0.071 -0.100) 0.161 5.171 ( 0.106 0.071 -0.100) 0.161 5.219 ( -0.198 -0.053 1.212) 1.229 5.219 ( -0.198 0.053 1.212) 1.229 5.243 ( 0.218 -0.362 -0.713) 0.829 5.243 ( 0.218 0.362 -0.713) 0.829 5.420 ( 0.412 -0.614 1.626) 1.787 5.420 ( 0.412 0.614 1.626) 1.787 5.447 ( -0.671 -0.485 -0.770) 1.130 5.447 ( -0.671 0.485 -0.770) 1.130 5.549 ( -0.034 -0.927 0.417) 1.017 5.549 ( -0.034 0.927 0.417) 1.017 5.611 ( 0.410 -0.498 0.179) 0.670 5.611 ( 0.410 0.498 0.179) 0.670 5.678 ( 0.913 -0.546 1.883) 2.163 5.678 ( 0.913 0.546 1.883) 2.163 5.726 ( -1.170 -0.253 -1.904) 2.249 5.726 ( -1.170 0.253 -1.904) 2.249 5.866 ( -0.089 -0.193 0.123) 0.246 5.866 ( -0.089 0.193 0.123) 0.246 5.882 ( 0.091 -0.145 -0.082) 0.190 5.882 ( 0.091 0.145 -0.082) 0.190 6.066 ( 1.217 -0.534 1.320) 1.874 6.066 ( 1.217 0.534 1.320) 1.874 6.090 ( -0.610 -0.299 -0.696) 0.973 6.090 ( -0.610 0.299 -0.696) 0.973 6.111 ( -0.035 -0.203 0.070) 0.217 6.111 ( -0.035 0.203 0.070) 0.217 6.135 ( -0.171 -0.111 -0.128) 0.241 6.135 ( -0.171 0.111 -0.128) 0.241 6.416 ( 0.000 -0.101 -0.027) 0.104 6.416 ( 0.000 0.101 -0.027) 0.104 6.657 ( 0.458 -1.555 0.801) 1.808 6.657 ( 0.458 1.555 0.801) 1.808 6.765 ( -0.750 -0.701 -0.904) 1.368 6.765 ( -0.750 0.701 -0.904) 1.368 6.866 ( 0.276 -0.869 0.505) 1.043 6.866 ( 0.276 0.869 0.505) 1.043 7.223 ( 0.116 -0.627 -0.083) 0.643 7.223 ( 0.116 0.627 -0.083) 0.643 7.260 ( -0.092 -0.290 -0.231) 0.382 7.260 ( -0.092 0.290 -0.231) 0.382 7.539 ( 0.115 -1.237 0.622) 1.389 7.539 ( 0.115 1.237 0.622) 1.389 7.554 ( -0.084 -1.316 -0.450) 1.393 7.554 ( -0.084 1.316 -0.450) 1.393 7.803 ( 0.137 -0.635 -0.019) 0.650 7.803 ( 0.137 0.635 -0.019) 0.650 7.842 ( -0.230 -0.628 -0.455) 0.808 7.842 ( -0.230 0.628 -0.455) 0.808 7.988 ( 0.199 -0.385 0.401) 0.591 7.988 ( 0.199 0.385 0.401) 0.591 8.004 ( -0.064 -0.819 0.348) 0.892 8.004 ( -0.064 0.819 0.348) 0.892 8.036 ( -0.098 -0.403 0.079) 0.422 8.036 ( -0.098 0.403 0.079) 0.422 8.084 ( 0.112 -0.488 0.064) 0.505 8.084 ( 0.112 0.488 0.064) 0.505 8.834 ( 0.144 -0.528 0.703) 0.891 8.834 ( 0.144 0.528 0.703) 0.891 8.873 ( -0.213 -0.486 -1.065) 1.190 8.873 ( -0.213 0.486 -1.065) 1.190 8.994 ( -0.413 -0.565 0.290) 0.757 8.994 ( -0.413 0.565 0.290) 0.757 9.023 ( 0.253 -0.418 -0.296) 0.572 9.023 ( 0.253 0.418 -0.296) 0.572 ======================= Grid point 49 (26/30) ======================= q-point: ( 0.17 -0.50 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( 3.163 -1.977 -0.010) 3.730 0.190 ( 3.163 1.977 -0.010) 3.730 0.338 ( 0.026 -0.797 -0.408) 0.896 0.338 ( 0.026 0.797 -0.408) 0.896 0.465 ( -0.378 -3.273 5.133) 6.099 0.465 ( -0.378 3.273 5.133) 6.099 0.567 ( 1.827 -2.298 -0.910) 3.074 0.567 ( 1.827 2.298 -0.910) 3.074 0.603 ( 1.373 -3.564 -0.020) 3.819 0.603 ( 1.373 3.564 -0.020) 3.819 0.694 ( -0.499 -4.258 -3.737) 5.687 0.694 ( -0.499 4.258 -3.737) 5.687 0.736 ( -0.754 -2.289 -0.456) 2.453 0.736 ( -0.754 2.289 -0.456) 2.453 0.780 ( 0.517 -3.381 -1.341) 3.673 0.780 ( 0.517 3.381 -1.341) 3.673 0.810 ( -1.967 -0.986 1.378) 2.596 0.810 ( -1.967 0.986 1.378) 2.596 0.889 ( 1.038 -0.728 -3.625) 3.841 0.889 ( 1.038 0.728 -3.625) 3.841 0.906 ( -0.672 -1.477 -3.416) 3.782 0.906 ( -0.672 1.477 -3.416) 3.782 0.928 ( -1.411 -0.585 1.054) 1.855 0.928 ( -1.411 0.585 1.054) 1.855 0.961 ( 0.745 -0.504 -0.196) 0.920 0.961 ( 0.745 0.504 -0.196) 0.920 1.010 ( 0.496 -1.114 -0.128) 1.226 1.010 ( 0.496 1.114 -0.128) 1.226 1.043 ( 0.652 -0.755 -0.947) 1.376 1.043 ( 0.652 0.755 -0.947) 1.376 1.070 ( -1.493 -2.561 -0.746) 3.057 1.070 ( -1.493 2.561 -0.746) 3.057 1.121 ( 0.943 -0.601 0.669) 1.303 1.121 ( 0.943 0.601 0.669) 1.303 1.154 ( 1.441 -1.086 1.794) 2.544 1.154 ( 1.441 1.086 1.794) 2.544 1.228 ( -0.167 -1.094 -0.694) 1.307 1.228 ( -0.167 1.094 -0.694) 1.307 1.246 ( -1.084 -1.484 -0.118) 1.841 1.246 ( -1.084 1.484 -0.118) 1.841 1.297 ( 1.434 -1.747 -0.429) 2.300 1.297 ( 1.434 1.747 -0.429) 2.300 1.369 ( -0.241 -1.766 -1.100) 2.094 1.369 ( -0.241 1.766 -1.100) 2.094 1.450 ( 1.538 -1.291 3.203) 3.780 1.450 ( 1.538 1.291 3.203) 3.780 1.474 ( 1.433 -0.714 -2.325) 2.823 1.474 ( 1.433 0.714 -2.325) 2.823 1.511 ( 5.258 -0.965 5.620) 7.757 1.511 ( 5.258 0.965 5.620) 7.757 1.543 ( -0.833 -0.405 -0.930) 1.312 1.543 ( -0.833 0.405 -0.930) 1.312 1.700 ( 0.027 -1.344 0.371) 1.395 1.700 ( 0.027 1.344 0.371) 1.395 1.727 ( -1.281 -0.874 -0.455) 1.616 1.727 ( -1.281 0.874 -0.455) 1.616 1.782 ( 1.926 -1.650 1.729) 3.069 1.782 ( 1.926 1.650 1.729) 3.069 1.884 ( -1.032 -0.791 1.584) 2.049 1.884 ( -1.032 0.791 1.584) 2.049 1.966 ( 3.426 -0.899 4.952) 6.088 1.966 ( 3.426 0.899 4.952) 6.088 2.052 ( -3.632 -0.390 -1.457) 3.932 2.052 ( -3.632 0.390 -1.457) 3.932 2.109 ( -0.244 -0.751 -0.395) 0.883 2.109 ( -0.244 0.751 -0.395) 0.883 2.215 ( -3.286 -1.266 -2.206) 4.155 2.215 ( -3.286 1.266 -2.206) 4.155 2.265 ( -0.098 -0.774 -0.775) 1.100 2.265 ( -0.098 0.774 -0.775) 1.100 2.359 ( 2.332 -0.554 1.709) 2.943 2.359 ( 2.332 0.554 1.709) 2.943 2.408 ( -1.088 -0.889 -1.054) 1.757 2.408 ( -1.088 0.889 -1.054) 1.757 2.437 ( -0.036 -0.985 -1.612) 1.890 2.437 ( -0.036 0.985 -1.612) 1.890 2.503 ( -1.106 -1.128 -0.835) 1.787 2.503 ( -1.106 1.128 -0.835) 1.787 2.545 ( -0.475 -0.326 0.229) 0.621 2.545 ( -0.475 0.326 0.229) 0.621 2.607 ( -1.765 -1.573 -2.313) 3.307 2.607 ( -1.765 1.573 -2.313) 3.307 2.677 ( 2.615 -1.660 1.367) 3.385 2.677 ( 2.615 1.660 1.367) 3.385 2.754 ( -0.722 -0.625 0.965) 1.358 2.754 ( -0.722 0.625 0.965) 1.358 2.778 ( -1.402 -0.662 -0.010) 1.551 2.778 ( -1.402 0.662 -0.010) 1.551 2.831 ( -0.168 -1.030 -1.803) 2.084 2.831 ( -0.168 1.030 -1.803) 2.084 2.876 ( -0.949 -0.058 -0.768) 1.222 2.876 ( -0.949 0.058 -0.768) 1.222 2.922 ( 0.152 -0.644 1.446) 1.591 2.922 ( 0.152 0.644 1.446) 1.591 2.949 ( 0.574 -0.299 2.050) 2.150 2.949 ( 0.574 0.299 2.050) 2.150 2.990 ( -0.374 -0.320 -1.283) 1.374 2.990 ( -0.374 0.320 -1.283) 1.374 3.071 ( -1.974 -0.139 -2.497) 3.186 3.071 ( -1.974 0.139 -2.497) 3.186 3.131 ( 1.138 -1.638 0.330) 2.022 3.131 ( 1.138 1.638 0.330) 2.022 3.232 ( 0.220 -0.175 1.073) 1.109 3.232 ( 0.220 0.175 1.073) 1.109 3.267 ( 0.099 -0.811 0.112) 0.824 3.267 ( 0.099 0.811 0.112) 0.824 3.316 ( -0.055 -0.224 1.151) 1.174 3.316 ( -0.055 0.224 1.151) 1.174 3.330 ( 0.331 -0.657 0.260) 0.780 3.330 ( 0.331 0.657 0.260) 0.780 3.376 ( 0.650 -1.023 0.747) 1.423 3.376 ( 0.650 1.023 0.747) 1.423 3.476 ( -0.174 -1.501 -0.891) 1.754 3.476 ( -0.174 1.501 -0.891) 1.754 3.512 ( 0.085 -0.881 -0.272) 0.926 3.512 ( 0.085 0.881 -0.272) 0.926 3.731 ( -0.803 -0.472 -0.064) 0.934 3.731 ( -0.803 0.472 -0.064) 0.934 3.757 ( -0.989 -0.768 -0.746) 1.457 3.757 ( -0.989 0.768 -0.746) 1.457 3.791 ( 0.116 -0.697 0.107) 0.714 3.791 ( 0.116 0.697 0.107) 0.714 3.867 ( -0.164 -0.533 0.323) 0.644 3.867 ( -0.164 0.533 0.323) 0.644 4.135 ( -0.265 -0.312 -0.317) 0.518 4.135 ( -0.265 0.312 -0.317) 0.518 4.167 ( 0.081 -0.239 0.360) 0.440 4.167 ( 0.081 0.239 0.360) 0.440 4.316 ( -0.181 -0.192 0.137) 0.298 4.316 ( -0.181 0.192 0.137) 0.298 4.326 ( -0.133 -0.191 -0.074) 0.244 4.326 ( -0.133 0.191 -0.074) 0.244 4.423 ( -0.444 -1.079 -0.455) 1.252 4.423 ( -0.444 1.079 -0.455) 1.252 4.447 ( 0.941 -0.995 1.027) 1.711 4.447 ( 0.941 0.995 1.027) 1.711 4.580 ( -1.185 -0.457 -1.626) 2.063 4.580 ( -1.185 0.457 -1.626) 2.063 4.671 ( 0.835 -0.072 0.936) 1.256 4.671 ( 0.835 0.072 0.936) 1.256 4.837 ( -0.380 -0.229 -0.368) 0.577 4.837 ( -0.380 0.229 -0.368) 0.577 4.855 ( 0.287 -0.405 0.318) 0.590 4.855 ( 0.287 0.405 0.318) 0.590 5.032 ( -2.219 -0.168 -0.590) 2.303 5.032 ( -2.219 0.168 -0.590) 2.303 5.067 ( -0.802 -0.170 0.594) 1.013 5.067 ( -0.802 0.170 0.594) 1.013 5.168 ( 0.226 -0.219 -0.221) 0.384 5.168 ( 0.226 0.219 -0.221) 0.384 5.175 ( 0.651 -0.135 -0.184) 0.690 5.175 ( 0.651 0.135 -0.184) 0.690 5.245 ( 1.571 -0.124 0.754) 1.747 5.245 ( 1.571 0.124 0.754) 1.747 5.255 ( 1.820 -0.218 -0.683) 1.956 5.255 ( 1.820 0.218 -0.683) 1.956 5.422 ( -1.049 -0.603 -0.682) 1.389 5.422 ( -1.049 0.603 -0.682) 1.389 5.435 ( -0.359 -0.381 1.157) 1.270 5.435 ( -0.359 0.381 1.157) 1.270 5.551 ( -0.002 -0.531 0.159) 0.554 5.551 ( -0.002 0.531 0.159) 0.554 5.613 ( -0.110 -0.619 -0.531) 0.823 5.613 ( -0.110 0.619 -0.531) 0.823 5.681 ( -1.477 -0.246 -1.707) 2.271 5.681 ( -1.477 0.246 -1.707) 2.271 5.717 ( 0.891 -0.188 2.026) 2.221 5.717 ( 0.891 0.188 2.026) 2.221 5.867 ( 0.098 -0.208 0.171) 0.286 5.867 ( 0.098 0.208 0.171) 0.286 5.884 ( 0.207 -0.179 -0.175) 0.325 5.884 ( 0.207 0.179 -0.175) 0.325 6.062 ( -1.062 -0.317 -1.192) 1.627 6.062 ( -1.062 0.317 -1.192) 1.627 6.090 ( 0.310 -0.289 0.517) 0.668 6.090 ( 0.310 0.289 0.517) 0.668 6.111 ( -0.163 -0.161 -0.066) 0.239 6.111 ( -0.163 0.161 -0.066) 0.239 6.139 ( 0.477 -0.115 0.286) 0.568 6.139 ( 0.477 0.115 0.286) 0.568 6.415 ( -0.137 -0.224 -0.004) 0.262 6.415 ( -0.137 0.224 -0.004) 0.262 6.654 ( -0.851 -1.894 -0.536) 2.144 6.654 ( -0.851 1.894 -0.536) 2.144 6.762 ( 0.270 -0.710 0.926) 1.198 6.762 ( 0.270 0.710 0.926) 1.198 6.871 ( 0.216 -1.068 -0.288) 1.127 6.871 ( 0.216 1.068 -0.288) 1.127 7.229 ( 0.648 -0.539 -0.213) 0.869 7.229 ( 0.648 0.539 -0.213) 0.869 7.264 ( 0.479 -0.382 0.140) 0.629 7.264 ( 0.479 0.382 0.140) 0.629 7.537 ( -0.820 -1.054 -0.377) 1.387 7.537 ( -0.820 1.054 -0.377) 1.387 7.542 ( -0.680 -0.932 0.375) 1.213 7.542 ( -0.680 0.932 0.375) 1.213 7.796 ( -0.629 -0.516 -0.171) 0.831 7.796 ( -0.629 0.516 -0.171) 0.831 7.840 ( 0.022 -0.713 0.219) 0.746 7.840 ( 0.022 0.713 0.219) 0.746 7.986 ( -0.573 -0.172 -0.203) 0.632 7.986 ( -0.573 0.172 -0.203) 0.632 8.005 ( -0.021 -0.659 0.122) 0.670 8.005 ( -0.021 0.659 0.122) 0.670 8.026 ( -0.816 -0.439 0.087) 0.931 8.026 ( -0.816 0.439 0.087) 0.931 8.078 ( -0.655 -0.572 -0.070) 0.873 8.078 ( -0.655 0.572 -0.070) 0.873 8.841 ( 0.165 -0.121 -0.176) 0.270 8.841 ( 0.165 0.121 -0.176) 0.270 8.864 ( -0.088 -0.505 0.227) 0.560 8.864 ( -0.088 0.505 0.227) 0.560 8.993 ( -0.108 -0.657 0.382) 0.768 8.993 ( -0.108 0.657 0.382) 0.768 9.032 ( 0.901 -0.907 -0.200) 1.294 9.032 ( 0.901 0.907 -0.200) 1.294 ======================= Grid point 51 (27/30) ======================= q-point: ( 0.33 -0.50 -0.67) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 3.773 -1.692 0.287) 4.145 0.251 ( 3.773 1.692 0.287) 4.145 0.333 ( -0.142 -0.569 -0.633) 0.863 0.333 ( -0.142 0.569 -0.633) 0.863 0.481 ( 0.065 -3.298 -2.510) 4.145 0.481 ( 0.065 3.298 -2.510) 4.145 0.552 ( 1.934 -1.847 1.238) 2.946 0.552 ( 1.934 1.847 1.238) 2.946 0.622 ( 1.264 -2.894 -1.256) 3.399 0.622 ( 1.264 2.894 -1.256) 3.399 0.683 ( 3.199 -1.786 4.170) 5.550 0.683 ( 3.199 1.786 4.170) 5.550 0.724 ( -1.371 -0.939 0.115) 1.665 0.724 ( -1.371 0.939 0.115) 1.665 0.776 ( -3.019 -1.384 0.322) 3.336 0.776 ( -3.019 1.384 0.322) 3.336 0.810 ( 0.998 -1.760 3.079) 3.685 0.810 ( 0.998 1.760 3.079) 3.685 0.863 ( 0.323 -1.431 -2.391) 2.806 0.863 ( 0.323 1.431 -2.391) 2.806 0.909 ( 0.891 -0.776 -0.464) 1.269 0.909 ( 0.891 0.776 -0.464) 1.269 0.929 ( -0.598 -0.476 1.050) 1.299 0.929 ( -0.598 0.476 1.050) 1.299 0.952 ( -0.852 -0.699 -1.686) 2.014 0.952 ( -0.852 0.699 -1.686) 2.014 0.997 ( 1.817 -1.118 -0.741) 2.258 0.997 ( 1.817 1.118 -0.741) 2.258 1.062 ( 0.292 -1.019 0.469) 1.159 1.062 ( 0.292 1.019 0.469) 1.159 1.095 ( 3.078 -0.667 0.529) 3.193 1.095 ( 3.078 0.667 0.529) 3.193 1.147 ( 0.275 -1.381 0.628) 1.542 1.147 ( 0.275 1.381 0.628) 1.542 1.194 ( 1.198 -1.075 1.325) 2.085 1.194 ( 1.198 1.075 1.325) 2.085 1.216 ( 0.301 -0.639 -0.242) 0.747 1.216 ( 0.301 0.639 -0.242) 0.747 1.243 ( 0.024 -1.466 0.699) 1.624 1.243 ( 0.024 1.466 0.699) 1.624 1.299 ( 0.304 -1.393 -2.309) 2.714 1.299 ( 0.304 1.393 -2.309) 2.714 1.350 ( 0.273 -0.676 -2.509) 2.613 1.350 ( 0.273 0.676 -2.509) 2.613 1.461 ( -0.781 -0.418 -1.171) 1.468 1.461 ( -0.781 0.418 -1.171) 1.468 1.492 ( 0.891 -0.774 1.153) 1.649 1.492 ( 0.891 0.774 1.153) 1.649 1.552 ( 2.301 -1.595 0.472) 2.840 1.552 ( 2.301 1.596 0.472) 2.840 1.630 ( -0.184 -0.338 1.971) 2.008 1.630 ( -0.184 0.338 1.971) 2.008 1.678 ( -0.718 -0.433 0.518) 0.986 1.678 ( -0.718 0.433 0.518) 0.986 1.712 ( -0.049 -2.653 -0.996) 2.834 1.712 ( -0.049 2.653 -0.996) 2.834 1.800 ( -0.704 -1.623 -1.194) 2.134 1.800 ( -0.704 1.623 -1.194) 2.134 1.894 ( -2.243 -0.533 -1.413) 2.705 1.894 ( -2.243 0.533 -1.413) 2.705 1.968 ( -2.476 -0.761 2.317) 3.475 1.968 ( -2.476 0.761 2.317) 3.475 2.059 ( -1.683 -0.269 -1.611) 2.345 2.059 ( -1.683 0.269 -1.611) 2.345 2.100 ( 0.718 -0.299 0.829) 1.137 2.100 ( 0.718 0.299 0.829) 1.137 2.213 ( 2.615 -0.948 4.359) 5.171 2.213 ( 2.615 0.948 4.359) 5.171 2.244 ( -1.966 -0.232 -2.017) 2.826 2.244 ( -1.966 0.232 -2.017) 2.826 2.343 ( 1.446 -0.735 -0.022) 1.622 2.343 ( 1.446 0.735 -0.022) 1.622 2.399 ( -0.200 -0.547 0.650) 0.873 2.399 ( -0.200 0.547 0.650) 0.873 2.417 ( 0.039 -0.763 -1.004) 1.261 2.417 ( 0.039 0.763 -1.004) 1.261 2.484 ( 0.349 -0.540 -1.247) 1.403 2.484 ( 0.349 0.540 -1.247) 1.403 2.541 ( -0.877 -0.399 1.645) 1.906 2.541 ( -0.877 0.399 1.645) 1.906 2.585 ( -0.458 -1.441 0.033) 1.512 2.585 ( -0.458 1.441 0.033) 1.512 2.699 ( 0.855 -2.453 -1.418) 2.960 2.699 ( 0.855 2.453 -1.418) 2.960 2.745 ( -0.395 -1.266 -1.084) 1.713 2.745 ( -0.395 1.266 -1.084) 1.713 2.768 ( -0.876 -1.272 0.803) 1.741 2.768 ( -0.876 1.272 0.803) 1.741 2.817 ( 0.277 -0.232 -0.133) 0.385 2.817 ( 0.277 0.232 -0.133) 0.385 2.842 ( -0.862 -0.418 -0.787) 1.240 2.842 ( -0.862 0.418 -0.787) 1.240 2.937 ( -0.223 -0.191 0.245) 0.382 2.937 ( -0.223 0.191 0.245) 0.382 2.978 ( -0.154 -1.476 1.479) 2.095 2.978 ( -0.154 1.476 1.479) 2.095 2.985 ( 0.857 -0.526 0.501) 1.123 2.985 ( 0.857 0.526 0.501) 1.123 3.034 ( -0.188 -0.505 -0.235) 0.588 3.034 ( -0.188 0.505 -0.235) 0.588 3.149 ( 0.734 -0.907 0.387) 1.230 3.149 ( 0.734 0.907 0.387) 1.230 3.234 ( -0.258 -0.873 -1.061) 1.398 3.234 ( -0.258 0.873 -1.061) 1.398 3.253 ( -1.014 -0.677 -0.367) 1.273 3.253 ( -1.014 0.677 -0.367) 1.273 3.314 ( 0.179 -0.225 0.302) 0.417 3.314 ( 0.179 0.225 0.302) 0.417 3.349 ( -0.742 -1.498 0.266) 1.693 3.349 ( -0.742 1.498 0.266) 1.693 3.402 ( 0.132 -1.196 -0.225) 1.224 3.402 ( 0.132 1.196 -0.225) 1.224 3.462 ( 0.549 -1.220 0.332) 1.379 3.462 ( 0.549 1.220 0.332) 1.379 3.504 ( -0.162 -1.555 -0.775) 1.745 3.504 ( -0.162 1.555 -0.775) 1.745 3.704 ( -1.042 -1.318 -1.429) 2.205 3.704 ( -1.042 1.318 -1.429) 2.205 3.746 ( -0.327 -0.802 0.850) 1.213 3.746 ( -0.327 0.802 0.850) 1.213 3.791 ( 0.006 -0.143 0.145) 0.204 3.791 ( 0.006 0.143 0.145) 0.204 3.867 ( -0.045 -1.306 -0.250) 1.331 3.867 ( -0.045 1.306 -0.250) 1.331 4.131 ( -0.093 -0.250 0.249) 0.365 4.131 ( -0.093 0.250 0.249) 0.365 4.169 ( -0.136 -0.205 -0.145) 0.285 4.169 ( -0.136 0.205 -0.145) 0.285 4.314 ( -0.239 -0.054 0.099) 0.264 4.314 ( -0.239 0.054 0.099) 0.264 4.321 ( -0.168 -0.138 -0.323) 0.390 4.321 ( -0.168 0.138 -0.323) 0.390 4.418 ( -0.022 -1.087 0.235) 1.113 4.418 ( -0.022 1.087 0.235) 1.113 4.467 ( 0.009 -0.557 0.010) 0.557 4.467 ( 0.009 0.557 0.010) 0.557 4.553 ( 0.140 -0.683 0.135) 0.710 4.553 ( 0.140 0.683 0.135) 0.710 4.685 ( 0.048 -0.097 -0.340) 0.356 4.685 ( 0.048 0.097 -0.340) 0.356 4.833 ( 0.102 -0.511 0.370) 0.639 4.833 ( 0.102 0.511 0.370) 0.639 4.865 ( 0.014 -0.645 0.789) 1.019 4.865 ( 0.014 0.645 0.789) 1.019 4.999 ( -1.221 -0.252 0.334) 1.291 4.999 ( -1.221 0.252 0.334) 1.291 5.049 ( -1.100 -0.280 -0.351) 1.189 5.049 ( -1.100 0.280 -0.351) 1.189 5.167 ( 0.233 -0.308 -0.063) 0.391 5.167 ( 0.233 0.308 -0.063) 0.391 5.191 ( 0.772 -0.260 0.092) 0.820 5.191 ( 0.772 0.260 0.092) 0.820 5.268 ( 1.140 -0.102 -0.794) 1.393 5.268 ( 1.140 0.102 -0.794) 1.393 5.289 ( 1.641 -0.109 0.112) 1.648 5.289 ( 1.641 0.109 0.112) 1.648 5.404 ( -0.413 -0.425 -0.324) 0.675 5.404 ( -0.413 0.425 -0.324) 0.675 5.428 ( -1.082 -0.023 0.171) 1.096 5.428 ( -1.082 0.023 0.171) 1.096 5.550 ( -0.133 -1.753 -0.384) 1.800 5.550 ( -0.133 1.753 -0.384) 1.800 5.606 ( 0.078 -0.218 0.103) 0.254 5.606 ( 0.078 0.218 0.103) 0.254 5.653 ( -0.470 -0.921 -0.543) 1.168 5.653 ( -0.470 0.921 -0.543) 1.168 5.732 ( -0.456 -0.090 0.015) 0.465 5.732 ( -0.456 0.090 0.015) 0.465 5.871 ( 0.075 -0.157 0.176) 0.247 5.871 ( 0.075 0.157 0.176) 0.247 5.886 ( 0.227 -0.091 -0.124) 0.274 5.886 ( 0.227 0.091 -0.124) 0.274 6.048 ( 0.278 -0.278 0.116) 0.410 6.048 ( 0.278 0.278 0.116) 0.410 6.096 ( -0.055 -0.266 0.162) 0.316 6.096 ( -0.055 0.266 0.162) 0.316 6.102 ( -0.344 -0.255 -0.169) 0.460 6.102 ( -0.344 0.255 -0.169) 0.460 6.147 ( 0.154 -0.076 -0.209) 0.271 6.147 ( 0.154 0.076 -0.209) 0.271 6.412 ( -0.136 -0.229 0.063) 0.274 6.412 ( -0.136 0.229 0.063) 0.274 6.635 ( -0.460 -2.890 -0.431) 2.958 6.635 ( -0.460 2.890 -0.431) 2.958 6.768 ( -0.521 -0.115 0.187) 0.566 6.768 ( -0.521 0.115 0.187) 0.566 6.874 ( 0.462 -2.060 -0.198) 2.121 6.874 ( 0.462 2.060 -0.198) 2.121 7.241 ( 0.787 -0.969 0.048) 1.249 7.241 ( 0.787 0.969 0.048) 1.249 7.274 ( 0.289 -0.491 0.397) 0.694 7.274 ( 0.289 0.491 0.397) 0.694 7.517 ( -0.741 -0.691 -0.289) 1.054 7.517 ( -0.741 0.691 -0.289) 1.054 7.532 ( -0.775 -0.613 0.219) 1.012 7.532 ( -0.775 0.613 0.219) 1.012 7.785 ( -0.444 -0.406 0.106) 0.611 7.785 ( -0.444 0.406 0.106) 0.611 7.840 ( -0.248 -0.906 0.174) 0.955 7.840 ( -0.248 0.906 0.174) 0.955 7.971 ( -0.745 -0.476 -0.043) 0.885 7.971 ( -0.745 0.476 -0.043) 0.885 8.000 ( -0.251 -1.109 -0.601) 1.287 8.000 ( -0.251 1.109 -0.601) 1.287 8.021 ( 0.049 -0.423 0.288) 0.514 8.021 ( 0.049 0.423 0.288) 0.514 8.065 ( -0.651 -0.681 -0.199) 0.963 8.065 ( -0.651 0.681 -0.199) 0.963 8.841 ( 0.255 -0.334 -0.294) 0.512 8.841 ( 0.255 0.334 -0.294) 0.512 8.866 ( -0.186 -0.103 0.259) 0.335 8.866 ( -0.186 0.103 0.259) 0.335 8.997 ( 0.040 -0.753 0.583) 0.953 8.997 ( 0.040 0.753 0.583) 0.953 9.043 ( 0.479 -1.189 -0.325) 1.322 9.043 ( 0.479 1.189 -0.325) 1.322 ======================= Grid point 53 (28/30) ======================= q-point: (-0.50 -0.50 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -0.305 -0.754 0.050) 0.815 0.297 ( -0.305 0.754 0.050) 0.815 0.326 ( 0.444 -0.456 -0.278) 0.694 0.326 ( 0.444 0.456 -0.278) 0.694 0.530 ( 0.941 -1.095 2.045) 2.504 0.530 ( 0.941 1.095 2.045) 2.504 0.627 ( 2.285 -1.370 0.528) 2.716 0.627 ( 2.285 1.370 0.528) 2.716 0.656 ( -0.945 -4.207 -1.935) 4.726 0.656 ( -0.945 4.207 -1.935) 4.726 0.704 ( -2.326 -1.369 -1.035) 2.890 0.704 ( -2.326 1.369 -1.035) 2.890 0.723 ( 5.623 -2.298 5.931) 8.490 0.723 ( 5.623 2.298 5.931) 8.490 0.772 ( -0.349 -1.336 5.943) 6.101 0.772 ( -0.349 1.336 5.943) 6.101 0.839 ( 0.399 -1.717 1.427) 2.268 0.839 ( 0.399 1.717 1.427) 2.268 0.862 ( -1.673 -1.087 -0.918) 2.196 0.862 ( -1.673 1.087 -0.918) 2.196 0.919 ( 2.167 -1.280 0.812) 2.645 0.919 ( 2.167 1.280 0.812) 2.645 0.931 ( 0.950 -0.644 -1.060) 1.562 0.931 ( 0.950 0.644 -1.060) 1.562 0.957 ( 1.051 -0.450 1.749) 2.089 0.957 ( 1.051 0.450 1.749) 2.089 1.017 ( -0.250 -1.523 -0.541) 1.635 1.017 ( -0.250 1.523 -0.541) 1.635 1.074 ( 0.234 -0.687 0.378) 0.818 1.074 ( 0.234 0.687 0.378) 0.818 1.113 ( -2.254 -1.464 -0.928) 2.843 1.113 ( -2.254 1.464 -0.928) 2.843 1.139 ( 0.568 -1.317 -1.751) 2.264 1.139 ( 0.568 1.317 -1.751) 2.264 1.191 ( -2.321 -0.522 -0.585) 2.449 1.191 ( -2.321 0.522 -0.585) 2.449 1.215 ( -0.122 -1.248 -0.107) 1.258 1.215 ( -0.122 1.248 -0.107) 1.258 1.256 ( 0.247 -0.327 2.069) 2.109 1.256 ( 0.247 0.327 2.069) 2.109 1.303 ( 1.888 -0.932 -2.939) 3.616 1.303 ( 1.888 0.932 -2.939) 3.616 1.345 ( 1.255 -0.624 0.492) 1.486 1.345 ( 1.255 0.624 0.492) 1.486 1.427 ( -1.380 -0.480 -2.122) 2.577 1.427 ( -1.380 0.480 -2.122) 2.577 1.518 ( 0.795 -1.900 1.078) 2.324 1.518 ( 0.795 1.900 1.078) 2.324 1.567 ( -2.848 -1.600 -0.325) 3.283 1.567 ( -2.848 1.600 -0.325) 3.283 1.610 ( 0.343 -1.019 0.988) 1.461 1.610 ( 0.343 1.019 0.988) 1.461 1.663 ( 0.313 -0.576 -0.168) 0.677 1.663 ( 0.313 0.576 -0.168) 0.677 1.704 ( -1.708 -0.429 -1.295) 2.186 1.704 ( -1.708 0.429 -1.295) 2.186 1.741 ( -0.682 -1.039 -4.659) 4.822 1.741 ( -0.682 1.039 -4.659) 4.822 1.841 ( 0.406 -0.924 0.807) 1.292 1.841 ( 0.406 0.924 0.807) 1.292 1.923 ( -4.137 -0.947 -6.108) 7.438 1.923 ( -4.137 0.947 -6.108) 7.438 2.021 ( 1.930 -0.507 3.555) 4.076 2.021 ( 1.930 0.507 3.555) 4.076 2.113 ( -0.412 -0.610 -0.182) 0.759 2.113 ( -0.412 0.610 -0.182) 0.759 2.221 ( 0.292 -0.784 1.650) 1.850 2.221 ( 0.292 0.784 1.650) 1.850 2.284 ( 1.346 -1.416 3.255) 3.797 2.284 ( 1.346 1.416 3.255) 3.797 2.371 ( -0.796 -0.356 -1.470) 1.709 2.371 ( -0.796 0.356 -1.470) 1.709 2.386 ( -0.707 -0.802 -1.349) 1.721 2.386 ( -0.707 0.802 -1.349) 1.721 2.433 ( 0.508 -0.795 -0.824) 1.253 2.433 ( 0.508 0.795 -0.824) 1.253 2.519 ( 1.276 -0.652 2.721) 3.076 2.519 ( 1.276 0.652 2.721) 3.076 2.542 ( 0.120 -0.509 0.650) 0.834 2.542 ( 0.120 0.509 0.650) 0.834 2.613 ( 2.334 -2.083 3.061) 4.377 2.613 ( 2.334 2.083 3.061) 4.377 2.693 ( -0.054 -0.991 -1.696) 1.965 2.693 ( -0.054 0.991 -1.696) 1.965 2.726 ( -0.338 -0.752 0.148) 0.838 2.726 ( -0.338 0.752 0.148) 0.838 2.744 ( -1.399 -1.027 -0.876) 1.944 2.744 ( -1.399 1.027 -0.876) 1.944 2.836 ( 0.879 -0.865 -0.016) 1.233 2.836 ( 0.879 0.865 -0.016) 1.233 2.854 ( 1.936 -0.875 1.941) 2.878 2.854 ( 1.936 0.875 1.941) 2.878 2.920 ( -1.483 -0.760 -1.670) 2.359 2.920 ( -1.483 0.760 -1.670) 2.359 2.949 ( -1.729 -0.436 -1.027) 2.058 2.949 ( -1.729 0.436 -1.027) 2.058 3.021 ( 0.912 -0.819 1.544) 1.971 3.021 ( 0.912 0.819 1.544) 1.971 3.060 ( 1.483 -0.795 2.557) 3.061 3.060 ( 1.483 0.795 2.557) 3.061 3.144 ( -0.761 -0.462 -1.835) 2.039 3.144 ( -0.761 0.462 -1.835) 2.039 3.215 ( -1.047 -0.972 -1.710) 2.228 3.215 ( -1.047 0.972 -1.710) 2.228 3.247 ( 1.104 -0.436 0.960) 1.527 3.247 ( 1.104 0.436 0.960) 1.527 3.312 ( -1.469 -1.128 -1.370) 2.304 3.312 ( -1.469 1.128 -1.370) 2.304 3.333 ( 0.694 -0.535 1.055) 1.371 3.333 ( 0.694 0.535 1.055) 1.371 3.373 ( -1.145 -0.584 -1.255) 1.796 3.373 ( -1.145 0.584 -1.255) 1.796 3.472 ( 0.037 -0.836 -1.200) 1.463 3.472 ( 0.037 0.836 -1.200) 1.463 3.519 ( 0.847 -0.398 1.336) 1.631 3.519 ( 0.847 0.398 1.336) 1.631 3.680 ( -0.097 -0.520 -1.069) 1.193 3.680 ( -0.097 0.520 -1.069) 1.193 3.751 ( 0.170 -0.736 0.437) 0.873 3.751 ( 0.170 0.736 0.437) 0.873 3.801 ( 0.394 -0.293 0.793) 0.933 3.801 ( 0.394 0.293 0.793) 0.933 3.857 ( -0.399 -0.881 -0.770) 1.236 3.857 ( -0.399 0.881 -0.770) 1.236 4.139 ( 0.426 -0.256 0.769) 0.915 4.139 ( 0.426 0.256 0.769) 0.915 4.159 ( -0.438 -0.189 -0.757) 0.894 4.159 ( -0.438 0.189 -0.757) 0.894 4.308 ( -0.171 -0.208 -0.280) 0.388 4.308 ( -0.171 0.208 -0.280) 0.388 4.319 ( 0.077 -0.185 -0.026) 0.202 4.319 ( 0.077 0.185 -0.026) 0.202 4.426 ( 0.402 -1.271 0.825) 1.567 4.426 ( 0.402 1.271 0.825) 1.567 4.449 ( -0.755 -1.294 -1.125) 1.874 4.449 ( -0.755 1.294 -1.125) 1.874 4.585 ( 1.262 -0.687 1.906) 2.387 4.585 ( 1.262 0.687 1.906) 2.387 4.667 ( -0.807 -0.230 -1.461) 1.685 4.667 ( -0.807 0.230 -1.461) 1.685 4.847 ( 0.477 -0.537 1.038) 1.262 4.847 ( 0.477 0.537 1.038) 1.262 4.864 ( -0.377 -0.677 0.068) 0.778 4.864 ( -0.377 0.677 0.068) 0.778 4.998 ( 0.389 -0.277 1.042) 1.146 4.998 ( 0.389 0.277 1.042) 1.146 5.029 ( -0.381 -0.296 -1.011) 1.120 5.029 ( -0.381 0.296 -1.011) 1.120 5.179 ( 0.506 -0.164 0.768) 0.934 5.179 ( 0.506 0.164 0.768) 0.934 5.196 ( -0.106 -0.145 -0.294) 0.345 5.196 ( -0.106 0.145 -0.294) 0.345 5.270 ( -0.140 -0.122 -0.826) 0.847 5.270 ( -0.140 0.122 -0.826) 0.847 5.301 ( -0.082 -0.081 -0.235) 0.262 5.301 ( -0.082 0.081 -0.235) 0.262 5.402 ( 0.328 -0.345 0.172) 0.506 5.402 ( 0.328 0.345 0.172) 0.506 5.410 ( -0.634 -0.227 -0.417) 0.792 5.410 ( -0.634 0.227 -0.417) 0.792 5.544 ( -0.068 -0.905 -0.260) 0.944 5.544 ( -0.068 0.905 -0.260) 0.944 5.610 ( 0.052 -0.645 -0.029) 0.648 5.610 ( 0.052 0.645 -0.029) 0.648 5.664 ( 1.443 -0.372 1.338) 2.002 5.664 ( 1.443 0.372 1.338) 2.002 5.705 ( -1.444 -0.222 -1.758) 2.286 5.705 ( -1.444 0.222 -1.758) 2.286 5.872 ( -0.127 -0.162 0.152) 0.256 5.872 ( -0.127 0.162 0.152) 0.256 5.889 ( 0.148 -0.029 -0.059) 0.162 5.889 ( 0.148 0.029 -0.059) 0.162 6.065 ( 0.589 -0.215 1.027) 1.204 6.065 ( 0.589 0.215 1.027) 1.204 6.085 ( -0.371 -0.277 -0.660) 0.806 6.085 ( -0.371 0.277 -0.660) 0.806 6.107 ( 0.302 -0.385 0.437) 0.656 6.107 ( 0.302 0.385 0.437) 0.656 6.140 ( -0.311 -0.219 -0.621) 0.729 6.140 ( -0.311 0.219 -0.621) 0.729 6.412 ( 0.006 -0.192 0.069) 0.205 6.412 ( 0.006 0.192 0.069) 0.205 6.632 ( 0.227 -1.513 -0.160) 1.538 6.632 ( 0.227 1.513 -0.160) 1.538 6.754 ( -0.483 -0.424 -0.334) 0.724 6.754 ( -0.483 0.424 -0.334) 0.724 6.880 ( 0.116 -1.040 -0.027) 1.047 6.880 ( 0.116 1.040 -0.027) 1.047 7.252 ( 0.178 -0.459 0.146) 0.514 7.252 ( 0.178 0.459 0.146) 0.514 7.279 ( -0.099 -0.135 0.369) 0.405 7.279 ( -0.099 0.135 0.369) 0.405 7.511 ( 0.205 -0.157 -0.050) 0.263 7.511 ( 0.205 0.157 -0.050) 0.263 7.523 ( -0.228 -0.163 0.001) 0.280 7.523 ( -0.228 0.163 0.001) 0.280 7.784 ( 0.099 -0.066 0.221) 0.251 7.784 ( 0.099 0.066 0.221) 0.251 7.837 ( -0.075 -0.394 -0.010) 0.401 7.837 ( -0.075 0.394 -0.010) 0.401 7.966 ( 0.079 -0.441 0.312) 0.546 7.966 ( 0.079 0.441 0.312) 0.546 7.990 ( -0.097 -0.522 -0.751) 0.920 7.990 ( -0.097 0.522 -0.751) 0.920 8.028 ( 0.099 -0.677 0.436) 0.812 8.028 ( 0.099 0.677 0.436) 0.812 8.053 ( -0.109 -0.594 -0.419) 0.735 8.053 ( -0.109 0.594 -0.419) 0.735 8.843 ( 0.091 -0.093 -0.092) 0.159 8.843 ( 0.091 0.093 -0.092) 0.159 8.863 ( -0.134 -0.197 -0.018) 0.239 8.863 ( -0.134 0.197 -0.018) 0.239 9.004 ( -0.015 -0.827 0.683) 1.073 9.004 ( -0.015 0.827 0.683) 1.073 9.043 ( -0.022 -0.885 -0.510) 1.022 9.043 ( -0.022 0.885 -0.510) 1.022 ======================= Grid point 55 (29/30) ======================= q-point: (-0.33 -0.50 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( -3.286 -1.119 0.172) 3.476 0.261 ( -3.286 1.119 0.172) 3.476 0.330 ( 0.159 -0.448 -0.432) 0.642 0.330 ( 0.159 0.448 -0.432) 0.642 0.497 ( -3.730 -7.588 -0.810) 8.494 0.497 ( -3.730 7.588 -0.810) 8.494 0.594 ( -5.527 -2.400 -1.098) 6.125 0.594 ( -5.527 2.400 -1.098) 6.125 0.629 ( -2.258 -1.348 -1.444) 3.000 0.629 ( -2.258 1.348 -1.444) 3.000 0.714 ( 2.033 -0.711 0.646) 2.249 0.714 ( 2.033 0.711 0.646) 2.249 0.743 ( -1.234 -2.974 -2.715) 4.212 0.743 ( -1.234 2.974 -2.715) 4.212 0.783 ( -3.736 -1.520 1.515) 4.309 0.783 ( -3.736 1.520 1.515) 4.309 0.833 ( 0.526 -1.973 2.060) 2.901 0.833 ( 0.526 1.973 2.060) 2.901 0.864 ( 0.968 -0.308 -2.315) 2.528 0.864 ( 0.968 0.308 -2.315) 2.528 0.907 ( -1.416 -0.407 -2.192) 2.641 0.907 ( -1.416 0.407 -2.192) 2.641 0.957 ( 0.210 -0.604 -1.601) 1.724 0.957 ( 0.210 0.604 -1.601) 1.724 0.977 ( 0.421 -1.112 -2.162) 2.468 0.977 ( 0.421 1.112 -2.162) 2.468 1.005 ( -2.672 -1.890 -1.595) 3.641 1.005 ( -2.672 1.890 -1.595) 3.641 1.047 ( -1.659 -0.887 1.296) 2.285 1.047 ( -1.659 0.887 1.296) 2.285 1.092 ( 0.277 -0.784 3.806) 3.896 1.092 ( 0.277 0.784 3.806) 3.896 1.129 ( 0.170 -1.108 0.074) 1.124 1.129 ( 0.170 1.108 0.074) 1.124 1.187 ( -0.607 -1.938 0.899) 2.221 1.187 ( -0.607 1.938 0.899) 2.221 1.209 ( 0.000 -0.592 0.431) 0.732 1.209 ( 0.000 0.592 0.431) 0.732 1.247 ( -1.513 -1.624 -0.648) 2.312 1.247 ( -1.513 1.624 -0.648) 2.312 1.297 ( 0.742 -0.310 -1.611) 1.800 1.297 ( 0.742 0.310 -1.611) 1.800 1.350 ( -0.316 -0.943 -1.452) 1.760 1.350 ( -0.316 0.943 -1.452) 1.760 1.430 ( 1.060 -1.340 1.545) 2.304 1.430 ( 1.060 1.340 1.545) 2.304 1.515 ( -0.605 -0.603 -0.065) 0.857 1.515 ( -0.605 0.603 -0.065) 0.857 1.565 ( -2.503 -1.359 -1.126) 3.063 1.565 ( -2.503 1.359 -1.126) 3.063 1.599 ( 3.373 -2.156 3.460) 5.291 1.599 ( 3.373 2.156 3.460) 5.291 1.663 ( -0.793 -1.821 1.780) 2.667 1.663 ( -0.793 1.821 1.780) 2.667 1.710 ( 1.113 -1.443 -0.908) 2.036 1.710 ( 1.113 1.443 -0.908) 2.036 1.749 ( 2.659 -1.046 1.572) 3.262 1.749 ( 2.659 1.046 1.572) 3.262 1.856 ( 1.444 -1.363 -0.230) 1.999 1.856 ( 1.444 1.363 -0.230) 1.999 1.929 ( 5.130 -0.333 5.592) 7.596 1.929 ( 5.130 0.333 5.592) 7.596 2.041 ( -0.215 -0.249 -2.189) 2.213 2.041 ( -0.215 0.249 -2.189) 2.213 2.116 ( 0.355 -0.899 0.334) 1.023 2.116 ( 0.355 0.899 0.334) 1.023 2.229 ( -0.078 -1.043 -0.397) 1.119 2.229 ( -0.078 1.043 -0.397) 1.119 2.306 ( -1.647 -0.666 -3.287) 3.737 2.306 ( -1.647 0.666 -3.287) 3.737 2.356 ( 0.497 -0.729 3.059) 3.184 2.356 ( 0.497 0.729 3.059) 3.184 2.377 ( 0.485 -0.870 0.921) 1.357 2.377 ( 0.485 0.870 0.921) 1.357 2.423 ( -0.593 -0.879 -1.164) 1.575 2.423 ( -0.593 0.879 -1.164) 1.575 2.519 ( -2.183 -0.243 -2.643) 3.436 2.519 ( -2.183 0.243 -2.643) 3.436 2.559 ( 0.954 -1.233 0.147) 1.566 2.559 ( 0.954 1.233 0.147) 1.566 2.601 ( -2.394 -2.400 -1.491) 3.703 2.601 ( -2.394 2.400 -1.491) 3.703 2.663 ( -1.716 -0.937 0.010) 1.955 2.663 ( -1.716 0.937 0.010) 1.955 2.737 ( 0.603 -0.783 -0.012) 0.988 2.737 ( 0.603 0.783 -0.012) 0.988 2.761 ( 1.851 -1.368 1.310) 2.648 2.761 ( 1.851 1.368 1.310) 2.648 2.830 ( -1.188 -0.529 -1.641) 2.094 2.830 ( -1.188 0.529 -1.641) 2.094 2.849 ( -0.697 -0.570 -1.313) 1.592 2.849 ( -0.697 0.570 -1.313) 1.592 2.927 ( 1.656 -0.745 1.687) 2.479 2.927 ( 1.656 0.745 1.687) 2.479 2.959 ( 1.542 -0.939 1.768) 2.527 2.959 ( 1.542 0.939 1.768) 2.527 3.019 ( -1.056 -0.812 -0.897) 1.606 3.019 ( -1.056 0.812 -0.897) 1.606 3.070 ( -1.821 -0.626 -2.834) 3.426 3.070 ( -1.821 0.626 -2.834) 3.426 3.133 ( 1.196 -0.934 2.088) 2.581 3.133 ( 1.196 0.934 2.088) 2.581 3.210 ( -0.082 -1.221 0.246) 1.248 3.210 ( -0.082 1.221 0.246) 1.248 3.252 ( 0.480 -0.321 -0.564) 0.807 3.252 ( 0.480 0.321 -0.564) 0.807 3.316 ( 1.213 -1.321 1.316) 2.224 3.316 ( 1.213 1.321 1.316) 2.224 3.340 ( 0.144 -0.437 -0.620) 0.772 3.340 ( 0.144 0.437 -0.620) 0.772 3.369 ( 0.588 -0.493 1.665) 1.833 3.369 ( 0.588 0.493 1.665) 1.833 3.466 ( 0.236 -1.101 -0.148) 1.135 3.466 ( 0.236 1.101 -0.148) 1.135 3.519 ( -0.940 -0.459 -1.059) 1.488 3.519 ( -0.940 0.459 -1.059) 1.488 3.683 ( 0.867 -0.649 -0.084) 1.086 3.683 ( 0.867 0.649 -0.084) 1.086 3.760 ( 0.650 -0.985 -0.202) 1.197 3.760 ( 0.650 0.985 -0.202) 1.197 3.803 ( -0.417 -0.265 -0.518) 0.715 3.803 ( -0.417 0.265 -0.518) 0.715 3.854 ( 0.319 -0.721 0.541) 0.956 3.854 ( 0.319 0.721 0.541) 0.956 4.145 ( -0.127 -0.213 -0.808) 0.845 4.145 ( -0.127 0.213 -0.808) 0.845 4.157 ( 0.511 -0.183 0.833) 0.995 4.157 ( 0.511 0.183 0.833) 0.995 4.309 ( 0.301 -0.187 0.201) 0.408 4.309 ( 0.301 0.187 0.201) 0.408 4.321 ( 0.159 -0.093 -0.115) 0.217 4.321 ( 0.159 0.093 -0.115) 0.217 4.430 ( -0.403 -1.363 -0.715) 1.591 4.430 ( -0.403 1.363 -0.715) 1.591 4.447 ( 0.814 -1.256 1.240) 1.944 4.447 ( 0.814 1.256 1.240) 1.944 4.587 ( -1.372 -0.463 -1.760) 2.279 4.587 ( -1.372 0.463 -1.760) 2.279 4.663 ( 0.775 -0.338 1.100) 1.387 4.663 ( 0.775 0.338 1.100) 1.387 4.844 ( -0.691 -0.726 -0.284) 1.042 4.844 ( -0.691 0.726 -0.284) 1.042 4.876 ( 0.869 -0.559 0.301) 1.076 4.876 ( 0.869 0.559 0.301) 1.076 5.015 ( 0.774 -0.189 -0.775) 1.112 5.015 ( 0.774 0.189 -0.775) 1.112 5.032 ( 1.471 -0.163 0.785) 1.675 5.032 ( 1.471 0.163 0.785) 1.675 5.177 ( -0.867 -0.279 -0.776) 1.196 5.177 ( -0.867 0.279 -0.776) 1.196 5.190 ( -0.359 -0.243 0.171) 0.466 5.190 ( -0.359 0.243 0.171) 0.466 5.252 ( -1.355 -0.055 0.216) 1.374 5.252 ( -1.355 0.055 0.216) 1.374 5.289 ( -1.150 -0.282 -0.010) 1.184 5.289 ( -1.150 0.282 -0.010) 1.184 5.399 ( -0.265 -0.122 -0.165) 0.335 5.399 ( -0.265 0.122 -0.165) 0.335 5.420 ( 1.283 -0.226 0.640) 1.452 5.420 ( 1.283 0.226 0.640) 1.452 5.542 ( -0.072 -1.148 0.027) 1.150 5.542 ( -0.072 1.148 0.027) 1.150 5.614 ( 0.326 -0.723 -0.105) 0.800 5.614 ( 0.326 0.723 -0.105) 0.800 5.660 ( -1.159 -0.570 -1.590) 2.049 5.660 ( -1.159 0.570 -1.590) 2.049 5.712 ( 1.833 -0.340 1.560) 2.431 5.712 ( 1.833 0.340 1.560) 2.431 5.870 ( -0.281 -0.233 0.190) 0.412 5.870 ( -0.281 0.233 0.190) 0.412 5.889 ( -0.092 -0.022 -0.197) 0.219 5.889 ( -0.092 0.022 -0.197) 0.219 6.066 ( -0.861 -0.252 -1.192) 1.492 6.066 ( -0.861 0.252 -1.192) 1.492 6.085 ( 0.720 -0.224 0.841) 1.129 6.085 ( 0.720 0.224 0.841) 1.129 6.109 ( -0.202 -0.427 -0.371) 0.600 6.109 ( -0.202 0.427 -0.371) 0.600 6.137 ( 0.148 -0.282 0.379) 0.495 6.137 ( 0.148 0.282 0.379) 0.495 6.413 ( 0.128 -0.121 0.002) 0.177 6.413 ( 0.128 0.121 0.002) 0.177 6.634 ( 0.284 -1.270 -0.386) 1.357 6.634 ( 0.284 1.270 -0.386) 1.357 6.758 ( 0.760 -0.320 0.727) 1.099 6.758 ( 0.760 0.320 0.727) 1.099 6.875 ( -0.548 -0.799 -0.215) 0.992 6.875 ( -0.548 0.799 -0.215) 0.992 7.246 ( -0.770 -0.919 -0.213) 1.218 7.246 ( -0.770 0.919 -0.213) 1.218 7.279 ( -0.336 -0.767 0.169) 0.854 7.279 ( -0.336 0.767 0.169) 0.854 7.515 ( 0.463 -0.492 -0.169) 0.697 7.515 ( 0.463 0.492 -0.169) 0.697 7.533 ( 0.990 -0.604 0.183) 1.174 7.533 ( 0.990 0.604 0.183) 1.174 7.789 ( 0.381 -0.590 -0.121) 0.713 7.789 ( 0.381 0.590 -0.121) 0.713 7.841 ( 0.451 -0.589 0.139) 0.755 7.841 ( 0.451 0.589 0.139) 0.755 7.974 ( 0.479 -0.075 -0.184) 0.519 7.974 ( 0.479 0.075 -0.184) 0.519 7.988 ( 0.359 -0.689 0.116) 0.786 7.988 ( 0.359 0.689 0.116) 0.786 8.024 ( -0.424 -1.512 0.018) 1.570 8.024 ( -0.424 1.512 0.018) 1.570 8.061 ( 0.886 -0.633 0.010) 1.089 8.061 ( 0.886 0.633 0.010) 1.089 8.838 ( -0.498 -0.563 -0.100) 0.758 8.838 ( -0.498 0.563 -0.100) 0.758 8.868 ( 0.546 -0.738 0.150) 0.930 8.868 ( 0.546 0.738 0.150) 0.930 9.006 ( -0.279 -0.576 0.225) 0.679 9.006 ( -0.279 0.576 0.225) 0.679 9.037 ( -0.227 -0.437 -0.109) 0.505 9.037 ( -0.227 0.437 -0.109) 0.505 ======================= Grid point 57 (30/30) ======================= q-point: (-0.17 -0.50 0.33) 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 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( -3.569 -1.194 -0.354) 3.780 0.191 ( -3.569 1.194 -0.354) 3.780 0.328 ( -0.120 -0.226 0.165) 0.304 0.328 ( -0.120 0.226 0.165) 0.304 0.447 ( 0.079 -7.083 3.264) 7.799 0.447 ( 0.079 7.083 3.264) 7.799 0.496 ( -3.248 -6.168 3.293) 7.709 0.496 ( -3.248 6.168 3.293) 7.709 0.588 ( -1.631 -1.900 -0.017) 2.505 0.588 ( -1.631 1.900 -0.017) 2.505 0.706 ( -1.402 -4.595 0.745) 4.862 0.706 ( -1.402 4.595 0.745) 4.862 0.707 ( -1.627 -1.266 -3.460) 4.027 0.707 ( -1.627 1.266 -3.460) 4.027 0.775 ( -0.755 -0.433 1.433) 1.677 0.775 ( -0.755 0.433 1.433) 1.677 0.824 ( -1.340 -0.795 0.351) 1.597 0.824 ( -1.340 0.795 0.351) 1.597 0.858 ( 0.832 -0.921 -0.434) 1.315 0.858 ( 0.832 0.921 -0.434) 1.315 0.893 ( -1.492 -2.479 -2.350) 3.728 0.893 ( -1.492 2.479 -2.350) 3.728 0.913 ( 0.101 -1.573 2.421) 2.889 0.913 ( 0.101 1.573 2.421) 2.889 0.968 ( 0.533 -0.993 -2.514) 2.756 0.968 ( 0.533 0.993 -2.514) 2.756 0.983 ( 0.602 -0.628 0.581) 1.046 0.983 ( 0.602 0.628 0.581) 1.046 1.039 ( -1.097 -1.213 1.325) 2.105 1.039 ( -1.097 1.213 1.325) 2.105 1.075 ( -1.077 -1.522 -1.746) 2.554 1.075 ( -1.077 1.522 -1.746) 2.554 1.139 ( -0.235 -0.349 -0.543) 0.687 1.139 ( -0.235 0.349 -0.543) 0.687 1.166 ( -1.305 -2.881 0.208) 3.170 1.166 ( -1.305 2.881 0.208) 3.170 1.201 ( -0.131 -1.336 0.417) 1.406 1.201 ( -0.131 1.336 0.417) 1.406 1.254 ( 1.365 -0.515 1.228) 1.906 1.254 ( 1.365 0.515 1.228) 1.906 1.300 ( -0.273 -1.336 -1.015) 1.700 1.300 ( -0.273 1.336 -1.015) 1.700 1.340 ( 0.779 -0.379 0.497) 0.999 1.340 ( 0.779 0.379 0.497) 0.999 1.458 ( -0.324 -0.615 0.149) 0.710 1.458 ( -0.324 0.615 0.149) 0.710 1.492 ( 0.184 -0.996 -0.822) 1.305 1.492 ( 0.184 0.996 -0.822) 1.305 1.532 ( -0.926 -0.558 -0.493) 1.188 1.532 ( -0.926 0.558 -0.493) 1.188 1.632 ( -2.795 -1.452 -1.396) 3.445 1.632 ( -2.795 1.452 -1.396) 3.445 1.670 ( 0.157 -0.875 1.218) 1.508 1.670 ( 0.157 0.875 1.218) 1.508 1.734 ( 1.731 -1.941 -0.635) 2.678 1.734 ( 1.731 1.941 -0.635) 2.678 1.797 ( 0.417 -1.239 0.883) 1.578 1.797 ( 0.417 1.239 0.883) 1.578 1.916 ( 1.704 -0.531 0.957) 2.025 1.916 ( 1.704 0.531 0.957) 2.025 2.039 ( 2.207 -0.450 -1.033) 2.478 2.039 ( 2.207 0.450 -1.033) 2.478 2.072 ( 1.943 -0.206 1.245) 2.317 2.072 ( 1.943 0.206 1.245) 2.317 2.100 ( -0.263 -0.822 -0.662) 1.087 2.100 ( -0.263 0.822 -0.662) 1.087 2.230 ( -1.601 -1.191 -3.516) 4.043 2.230 ( -1.601 1.191 -3.516) 4.043 2.254 ( 1.117 -0.912 0.430) 1.505 2.254 ( 1.117 0.912 0.430) 1.505 2.315 ( -1.492 -0.259 0.067) 1.516 2.315 ( -1.492 0.259 0.067) 1.516 2.386 ( -1.296 -0.900 0.303) 1.607 2.386 ( -1.296 0.900 0.303) 1.607 2.416 ( 0.497 -0.856 0.503) 1.111 2.416 ( 0.497 0.856 0.503) 1.111 2.459 ( -0.047 -0.367 1.492) 1.537 2.459 ( -0.047 0.367 1.492) 1.537 2.570 ( 0.003 -1.052 -0.642) 1.233 2.570 ( 0.003 1.052 -0.642) 1.233 2.589 ( 0.314 -1.491 0.617) 1.644 2.589 ( 0.314 1.491 0.617) 1.644 2.656 ( -0.779 -0.949 1.518) 1.952 2.656 ( -0.779 0.949 1.518) 1.952 2.737 ( 0.177 -1.640 0.612) 1.760 2.737 ( 0.177 1.640 0.612) 1.760 2.795 ( 1.306 -0.956 0.194) 1.630 2.795 ( 1.306 0.956 0.194) 1.630 2.810 ( -0.417 -0.500 -0.234) 0.692 2.810 ( -0.417 0.500 -0.234) 0.692 2.852 ( 1.055 -0.256 0.445) 1.173 2.852 ( 1.055 0.256 0.445) 1.173 2.949 ( 0.455 -0.445 -0.156) 0.655 2.949 ( 0.455 0.445 -0.156) 0.655 2.980 ( -0.323 -1.025 -0.503) 1.186 2.980 ( -0.323 1.025 -0.503) 1.186 2.998 ( -0.025 -0.590 -1.022) 1.181 2.998 ( -0.025 0.590 -1.022) 1.181 3.030 ( -0.349 -0.373 0.163) 0.536 3.030 ( -0.349 0.373 0.163) 0.536 3.141 ( -0.905 -0.626 -0.894) 1.417 3.141 ( -0.905 0.626 -0.894) 1.417 3.216 ( 0.191 -0.933 2.153) 2.355 3.216 ( 0.191 0.933 2.153) 2.355 3.271 ( 0.899 -0.519 -0.318) 1.085 3.271 ( 0.899 0.519 -0.318) 1.085 3.321 ( 0.318 -0.110 -0.554) 0.648 3.321 ( 0.318 0.110 -0.554) 0.648 3.358 ( 0.034 -1.613 0.337) 1.648 3.358 ( 0.034 1.613 0.337) 1.648 3.393 ( -0.269 -1.115 0.225) 1.169 3.393 ( -0.269 1.115 0.225) 1.169 3.464 ( -0.072 -0.623 -0.768) 0.991 3.464 ( -0.072 0.623 -0.768) 0.991 3.498 ( 0.156 -1.550 0.457) 1.623 3.498 ( 0.156 1.550 0.457) 1.623 3.705 ( 0.885 -1.596 1.113) 2.138 3.705 ( 0.885 1.596 1.113) 2.138 3.763 ( 0.259 -0.645 -0.761) 1.030 3.763 ( 0.259 0.645 -0.761) 1.030 3.796 ( 0.330 -0.223 -0.216) 0.453 3.796 ( 0.330 0.223 -0.216) 0.453 3.866 ( 0.278 -1.021 0.369) 1.121 3.866 ( 0.278 1.021 0.369) 1.121 4.139 ( 0.243 -0.280 -0.540) 0.655 4.139 ( 0.243 0.280 -0.540) 0.655 4.168 ( 0.053 -0.051 0.313) 0.321 4.168 ( 0.053 0.051 0.313) 0.321 4.317 ( 0.140 -0.303 0.250) 0.417 4.317 ( 0.140 0.303 0.250) 0.417 4.323 ( 0.236 -0.098 -0.036) 0.258 4.323 ( 0.236 0.098 -0.036) 0.258 4.422 ( 0.028 -1.261 -0.261) 1.288 4.422 ( 0.028 1.261 -0.261) 1.288 4.467 ( 0.005 -0.694 -0.024) 0.694 4.467 ( 0.005 0.694 -0.024) 0.694 4.552 ( -0.179 -0.432 -0.129) 0.485 4.552 ( -0.179 0.432 -0.129) 0.485 4.681 ( 0.036 -0.309 0.244) 0.395 4.681 ( 0.036 0.309 0.244) 0.395 4.833 ( -0.209 -0.489 -0.131) 0.548 4.833 ( -0.209 0.489 -0.131) 0.548 4.881 ( 0.195 -0.535 -1.227) 1.352 4.881 ( 0.195 0.535 -1.227) 1.352 5.029 ( 1.494 -0.121 -0.367) 1.543 5.029 ( 1.494 0.121 -0.367) 1.543 5.069 ( 1.563 -0.154 0.388) 1.618 5.069 ( 1.563 0.154 0.388) 1.618 5.162 ( -0.132 -0.351 0.086) 0.384 5.162 ( -0.132 0.351 0.086) 0.384 5.177 ( -0.841 -0.281 -0.230) 0.916 5.177 ( -0.841 0.281 -0.230) 0.916 5.230 ( -1.670 -0.024 0.937) 1.915 5.230 ( -1.670 0.024 0.937) 1.915 5.261 ( -1.537 -0.287 -0.393) 1.612 5.261 ( -1.537 0.287 -0.393) 1.612 5.401 ( 0.146 -0.273 0.945) 0.994 5.401 ( 0.146 0.273 0.945) 0.994 5.448 ( 0.991 -0.230 0.118) 1.024 5.448 ( 0.991 0.230 0.118) 1.024 5.544 ( 0.017 -1.773 0.576) 1.865 5.544 ( 0.017 1.773 0.576) 1.865 5.607 ( -0.224 -0.173 -0.460) 0.540 5.607 ( -0.224 0.173 -0.460) 0.540 5.655 ( 0.552 -1.527 0.615) 1.736 5.655 ( 0.552 1.527 0.615) 1.736 5.743 ( 0.562 -0.154 -0.112) 0.593 5.743 ( 0.562 0.154 -0.112) 0.593 5.867 ( -0.203 -0.286 0.186) 0.397 5.867 ( -0.203 0.286 0.186) 0.397 5.884 ( -0.149 -0.144 -0.180) 0.274 5.884 ( -0.149 0.144 -0.180) 0.274 6.045 ( -0.158 -0.269 -0.080) 0.322 6.045 ( -0.158 0.269 -0.080) 0.322 6.100 ( -0.017 -0.155 -0.365) 0.397 6.100 ( -0.017 0.155 -0.365) 0.397 6.105 ( 0.386 -0.134 0.383) 0.560 6.105 ( 0.386 0.134 0.383) 0.560 6.141 ( -0.201 -0.114 0.167) 0.285 6.141 ( -0.201 0.114 0.167) 0.285 6.415 ( 0.108 -0.077 -0.046) 0.140 6.415 ( 0.108 0.077 -0.046) 0.140 6.640 ( 0.566 -2.683 0.307) 2.759 6.640 ( 0.566 2.683 0.307) 2.759 6.778 ( 0.405 -0.291 0.009) 0.499 6.778 ( 0.405 0.291 0.009) 0.499 6.862 ( -0.513 -2.082 0.176) 2.151 6.862 ( -0.513 2.082 0.176) 2.151 7.229 ( -0.675 -1.053 -0.215) 1.269 7.229 ( -0.675 1.053 -0.215) 1.269 7.270 ( -0.595 -0.578 -0.182) 0.849 7.270 ( -0.595 0.578 -0.182) 0.849 7.527 ( 0.653 -1.021 0.284) 1.245 7.527 ( 0.653 1.021 0.284) 1.245 7.550 ( 0.786 -0.982 -0.134) 1.264 7.550 ( 0.786 0.982 -0.134) 1.264 7.796 ( 0.528 -0.921 -0.137) 1.070 7.796 ( 0.528 0.921 -0.137) 1.070 7.848 ( 0.179 -1.010 -0.268) 1.060 7.848 ( 0.179 1.010 -0.268) 1.060 7.979 ( 0.319 -0.340 0.148) 0.489 7.979 ( 0.319 0.340 0.148) 0.489 7.998 ( 0.256 -1.223 0.456) 1.330 7.998 ( 0.256 1.223 0.456) 1.330 8.027 ( 0.654 -0.404 0.183) 0.790 8.027 ( 0.654 0.404 0.183) 0.790 8.075 ( 0.682 -0.795 0.023) 1.048 8.075 ( 0.682 0.795 0.023) 1.048 8.830 ( -0.370 -0.593 0.343) 0.779 8.830 ( -0.370 0.593 0.343) 0.779 8.878 ( 0.581 -0.466 -0.487) 0.889 8.878 ( 0.581 0.466 -0.487) 0.889 9.001 ( -0.386 -0.401 0.013) 0.556 9.001 ( -0.386 0.401 0.013) 0.556 9.030 ( -0.567 -0.591 -0.086) 0.824 9.030 ( -0.567 0.591 -0.086) 0.824 =================== 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 3/15552 10.0 0.058 0.041 0.049 0.000 0.006 0.000 3/15552 20.0 0.062 0.038 0.071 0.000 0.020 0.000 3/15552 30.0 0.058 0.032 0.072 0.000 0.026 0.000 3/15552 40.0 0.053 0.027 0.067 0.000 0.027 0.000 3/15552 50.0 0.048 0.024 0.061 0.000 0.026 0.000 3/15552 60.0 0.043 0.022 0.056 0.000 0.024 0.000 3/15552 70.0 0.040 0.020 0.051 0.000 0.023 0.000 3/15552 80.0 0.036 0.018 0.047 0.000 0.021 0.000 3/15552 90.0 0.034 0.017 0.044 0.000 0.020 0.000 3/15552 100.0 0.031 0.015 0.041 0.000 0.019 0.000 3/15552 110.0 0.029 0.014 0.038 0.000 0.017 0.000 3/15552 120.0 0.028 0.014 0.035 0.000 0.016 0.000 3/15552 130.0 0.026 0.013 0.033 0.000 0.016 0.000 3/15552 140.0 0.024 0.012 0.031 0.000 0.015 0.000 3/15552 150.0 0.023 0.011 0.030 0.000 0.014 0.000 3/15552 160.0 0.022 0.011 0.028 0.000 0.013 0.000 3/15552 170.0 0.021 0.010 0.027 0.000 0.013 0.000 3/15552 180.0 0.020 0.010 0.026 0.000 0.012 0.000 3/15552 190.0 0.019 0.010 0.024 0.000 0.011 0.000 3/15552 200.0 0.018 0.009 0.023 0.000 0.011 0.000 3/15552 210.0 0.018 0.009 0.022 0.000 0.011 0.000 3/15552 220.0 0.017 0.008 0.021 0.000 0.010 0.000 3/15552 230.0 0.016 0.008 0.021 0.000 0.010 0.000 3/15552 240.0 0.016 0.008 0.020 0.000 0.009 0.000 3/15552 250.0 0.015 0.008 0.019 0.000 0.009 0.000 3/15552 260.0 0.015 0.007 0.018 0.000 0.009 0.000 3/15552 270.0 0.014 0.007 0.018 0.000 0.008 0.000 3/15552 280.0 0.014 0.007 0.017 0.000 0.008 0.000 3/15552 290.0 0.013 0.007 0.017 0.000 0.008 0.000 3/15552 300.0 0.013 0.006 0.016 0.000 0.008 0.000 3/15552 310.0 0.012 0.006 0.016 0.000 0.007 0.000 3/15552 320.0 0.012 0.006 0.015 0.000 0.007 0.000 3/15552 330.0 0.012 0.006 0.015 0.000 0.007 0.000 3/15552 340.0 0.011 0.006 0.014 0.000 0.007 0.000 3/15552 350.0 0.011 0.006 0.014 0.000 0.007 0.000 3/15552 360.0 0.011 0.005 0.014 0.000 0.006 0.000 3/15552 370.0 0.011 0.005 0.013 0.000 0.006 0.000 3/15552 380.0 0.010 0.005 0.013 0.000 0.006 0.000 3/15552 390.0 0.010 0.005 0.013 0.000 0.006 0.000 3/15552 400.0 0.010 0.005 0.012 0.000 0.006 0.000 3/15552 410.0 0.010 0.005 0.012 0.000 0.006 0.000 3/15552 420.0 0.009 0.005 0.012 0.000 0.006 0.000 3/15552 430.0 0.009 0.005 0.012 0.000 0.005 0.000 3/15552 440.0 0.009 0.005 0.011 0.000 0.005 0.000 3/15552 450.0 0.009 0.004 0.011 0.000 0.005 0.000 3/15552 460.0 0.009 0.004 0.011 0.000 0.005 0.000 3/15552 470.0 0.008 0.004 0.011 0.000 0.005 0.000 3/15552 480.0 0.008 0.004 0.010 0.000 0.005 0.000 3/15552 490.0 0.008 0.004 0.010 0.000 0.005 0.000 3/15552 500.0 0.008 0.004 0.010 0.000 0.005 0.000 3/15552 510.0 0.008 0.004 0.010 0.000 0.005 0.000 3/15552 520.0 0.008 0.004 0.010 0.000 0.005 0.000 3/15552 530.0 0.007 0.004 0.009 0.000 0.004 0.000 3/15552 540.0 0.007 0.004 0.009 0.000 0.004 0.000 3/15552 550.0 0.007 0.004 0.009 0.000 0.004 0.000 3/15552 560.0 0.007 0.004 0.009 0.000 0.004 0.000 3/15552 570.0 0.007 0.004 0.009 0.000 0.004 0.000 3/15552 580.0 0.007 0.003 0.009 0.000 0.004 0.000 3/15552 590.0 0.007 0.003 0.009 0.000 0.004 0.000 3/15552 600.0 0.007 0.003 0.008 0.000 0.004 0.000 3/15552 610.0 0.007 0.003 0.008 0.000 0.004 0.000 3/15552 620.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 630.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 640.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 650.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 660.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 670.0 0.006 0.003 0.008 0.000 0.004 0.000 3/15552 680.0 0.006 0.003 0.007 0.000 0.004 0.000 3/15552 690.0 0.006 0.003 0.007 0.000 0.003 0.000 3/15552 700.0 0.006 0.003 0.007 0.000 0.003 0.000 3/15552 710.0 0.006 0.003 0.007 0.000 0.003 0.000 3/15552 720.0 0.006 0.003 0.007 0.000 0.003 0.000 3/15552 730.0 0.006 0.003 0.007 0.000 0.003 0.000 3/15552 740.0 0.005 0.003 0.007 0.000 0.003 0.000 3/15552 750.0 0.005 0.003 0.007 0.000 0.003 0.000 3/15552 760.0 0.005 0.003 0.007 0.000 0.003 0.000 3/15552 770.0 0.005 0.003 0.007 0.000 0.003 0.000 3/15552 780.0 0.005 0.003 0.006 0.000 0.003 0.000 3/15552 790.0 0.005 0.003 0.006 0.000 0.003 0.000 3/15552 800.0 0.005 0.003 0.006 0.000 0.003 0.000 3/15552 810.0 0.005 0.003 0.006 0.000 0.003 0.000 3/15552 820.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 830.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 840.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 850.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 860.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 870.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 880.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 890.0 0.005 0.002 0.006 0.000 0.003 0.000 3/15552 900.0 0.004 0.002 0.006 0.000 0.003 0.000 3/15552 910.0 0.004 0.002 0.006 0.000 0.003 0.000 3/15552 920.0 0.004 0.002 0.006 0.000 0.003 0.000 3/15552 930.0 0.004 0.002 0.005 0.000 0.003 0.000 3/15552 940.0 0.004 0.002 0.005 0.000 0.003 0.000 3/15552 950.0 0.004 0.002 0.005 0.000 0.003 0.000 3/15552 960.0 0.004 0.002 0.005 0.000 0.003 0.000 3/15552 970.0 0.004 0.002 0.005 0.000 0.002 0.000 3/15552 980.0 0.004 0.002 0.005 0.000 0.002 0.000 3/15552 990.0 0.004 0.002 0.005 0.000 0.002 0.000 3/15552 1000.0 0.004 0.002 0.005 0.000 0.002 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m643.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:22:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|