# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f22dded1-a22e-410a-961f-3435979949d3/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Cs3Nd(PS4)2 / P2_1/c (14) / materials id 572442](https://mdr.nims.go.jp/datasets/0af252af-1362-4112-b531-0db6145849df) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 19:35:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 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 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 6.881148360000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): *1 Cs 0.15471189254615 0.76178230049075 0.38037815775785 132.905 *2 Cs 0.07005716178332 0.75784352117166 0.11831065708346 132.905 *3 Cs 0.58443549928478 0.74483781090509 0.47398371640100 132.905 4 Cs 0.41556450071522 0.25516218909491 0.52601628359900 132.905 5 Cs 0.41556450071522 0.24483781090509 0.02601628359900 132.905 6 Cs 0.84528810745385 0.26178230049075 0.11962184224215 132.905 7 Cs 0.15471189254615 0.73821769950925 0.88037815775785 132.905 8 Cs 0.58443549928478 0.75516218909491 0.97398371640100 132.905 9 Cs 0.07005716178332 0.74215647882834 0.61831065708346 132.905 10 Cs 0.92994283821668 0.25784352117166 0.38168934291654 132.905 11 Cs 0.92994283821668 0.24215647882834 0.88168934291654 132.905 12 Cs 0.84528810745385 0.23821769950925 0.61962184224215 132.905 *13 Nd 0.35119913884727 0.23533253647256 0.22965564700728 144.242 14 Nd 0.64880086115273 0.73533253647256 0.27034435299272 144.242 15 Nd 0.64880086115273 0.76466746352744 0.77034435299272 144.242 16 Nd 0.35119913884727 0.26466746352744 0.72965564700728 144.242 *17 P 0.19363682490894 0.25950551729816 0.27934781454819 30.974 *18 P 0.65522157884012 0.22273915277234 0.87209974187053 30.974 19 P 0.19363682490894 0.24049448270184 0.77934781454819 30.974 20 P 0.34477842115988 0.77726084722766 0.12790025812947 30.974 21 P 0.34477842115988 0.72273915277234 0.62790025812947 30.974 22 P 0.80636317509106 0.75950551729816 0.22065218545181 30.974 23 P 0.80636317509106 0.74049448270184 0.72065218545181 30.974 24 P 0.65522157884012 0.27726084722766 0.37209974187053 30.974 *25 S 0.11108014031703 0.26517358110805 0.32738200105723 32.065 *26 S 0.55782663836798 0.24963225544393 0.90894514710956 32.065 *27 S 0.75076388000177 0.03209977617185 0.40613836465111 32.065 28 S 0.24923611999823 0.96790022382815 0.59386163534889 32.065 *29 S 0.29427441284631 0.01423379507009 0.32050316732384 32.065 *30 S 0.29848993778432 0.49601388474711 0.31829555401561 32.065 *31 S 0.76229930475988 0.51211733807191 0.43044209857886 32.065 *32 S 0.54441446909236 0.15930620296911 0.73993889939907 32.065 *33 S 0.90345894331950 0.74468622381938 0.85456549307597 32.065 34 S 0.09654105668050 0.25531377618062 0.14543450692403 32.065 35 S 0.23770069524012 0.01211733807191 0.06955790142114 32.065 36 S 0.09654105668050 0.24468622381938 0.64543450692403 32.065 37 S 0.44217336163202 0.75036774455608 0.09105485289044 32.065 38 S 0.55782663836798 0.25036774455608 0.40894514710956 32.065 39 S 0.76229930475988 0.98788266192809 0.93044209857886 32.065 40 S 0.70151006221568 0.99601388474711 0.18170444598439 32.065 41 S 0.11108014031703 0.23482641889195 0.82738200105723 32.065 42 S 0.24923611999823 0.53209977617185 0.09386163534889 32.065 43 S 0.44217336163202 0.74963225544392 0.59105485289044 32.065 44 S 0.29427441284631 0.48576620492992 0.82050316732384 32.065 45 S 0.90345894331950 0.75531377618062 0.35456549307597 32.065 46 S 0.29848993778432 0.00398611525289 0.81829555401561 32.065 47 S 0.75076388000177 0.46790022382815 0.90613836465111 32.065 48 S 0.88891985968297 0.76517358110805 0.17261799894277 32.065 49 S 0.70572558715369 0.51423379507009 0.17949683267616 32.065 50 S 0.54441446909236 0.34069379703089 0.23993889939907 32.065 51 S 0.45558553090764 0.84069379703089 0.26006110060093 32.065 52 S 0.70572558715369 0.98576620492991 0.67949683267616 32.065 53 S 0.88891985968297 0.73482641889195 0.67261799894277 32.065 54 S 0.45558553090764 0.65930620296911 0.76006110060093 32.065 55 S 0.23770069524012 0.48788266192809 0.56955790142114 32.065 56 S 0.70151006221568 0.50398611525289 0.68170444598439 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 6.881148360000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): *1 Cs 0.15471189254615 0.76178230049075 0.38037815775785 132.905 > 1 *2 Cs 0.07005716178332 0.75784352117166 0.11831065708346 132.905 > 2 *3 Cs 0.58443549928478 0.74483781090509 0.47398371640100 132.905 > 3 4 Cs 0.41556450071522 0.25516218909491 0.52601628359900 132.905 > 4 5 Cs 0.41556450071522 0.24483781090509 0.02601628359900 132.905 > 5 6 Cs 0.84528810745385 0.26178230049075 0.11962184224215 132.905 > 6 7 Cs 0.15471189254615 0.73821769950925 0.88037815775785 132.905 > 7 8 Cs 0.58443549928478 0.75516218909491 0.97398371640100 132.905 > 8 9 Cs 0.07005716178332 0.74215647882834 0.61831065708346 132.905 > 9 10 Cs 0.92994283821668 0.25784352117166 0.38168934291654 132.905 > 10 11 Cs 0.92994283821668 0.24215647882834 0.88168934291654 132.905 > 11 12 Cs 0.84528810745385 0.23821769950925 0.61962184224215 132.905 > 12 *13 Nd 0.35119913884727 0.23533253647256 0.22965564700728 144.242 > 13 14 Nd 0.64880086115273 0.73533253647256 0.27034435299272 144.242 > 14 15 Nd 0.64880086115273 0.76466746352744 0.77034435299272 144.242 > 15 16 Nd 0.35119913884727 0.26466746352744 0.72965564700728 144.242 > 16 *17 P 0.19363682490894 0.25950551729816 0.27934781454819 30.974 > 17 *18 P 0.65522157884012 0.22273915277234 0.87209974187053 30.974 > 18 19 P 0.19363682490894 0.24049448270184 0.77934781454819 30.974 > 19 20 P 0.34477842115988 0.77726084722766 0.12790025812947 30.974 > 20 21 P 0.34477842115988 0.72273915277234 0.62790025812947 30.974 > 21 22 P 0.80636317509106 0.75950551729816 0.22065218545181 30.974 > 22 23 P 0.80636317509106 0.74049448270184 0.72065218545181 30.974 > 23 24 P 0.65522157884012 0.27726084722766 0.37209974187053 30.974 > 24 *25 S 0.11108014031703 0.26517358110805 0.32738200105723 32.065 > 25 *26 S 0.55782663836798 0.24963225544393 0.90894514710956 32.065 > 26 *27 S 0.75076388000177 0.03209977617185 0.40613836465111 32.065 > 27 28 S 0.24923611999823 0.96790022382815 0.59386163534889 32.065 > 28 *29 S 0.29427441284631 0.01423379507009 0.32050316732384 32.065 > 29 *30 S 0.29848993778432 0.49601388474711 0.31829555401561 32.065 > 30 *31 S 0.76229930475988 0.51211733807191 0.43044209857886 32.065 > 31 *32 S 0.54441446909236 0.15930620296911 0.73993889939907 32.065 > 32 *33 S 0.90345894331950 0.74468622381938 0.85456549307597 32.065 > 33 34 S 0.09654105668050 0.25531377618062 0.14543450692403 32.065 > 34 35 S 0.23770069524012 0.01211733807191 0.06955790142114 32.065 > 35 36 S 0.09654105668050 0.24468622381938 0.64543450692403 32.065 > 36 37 S 0.44217336163202 0.75036774455608 0.09105485289044 32.065 > 37 38 S 0.55782663836798 0.25036774455608 0.40894514710956 32.065 > 38 39 S 0.76229930475988 0.98788266192809 0.93044209857886 32.065 > 39 40 S 0.70151006221568 0.99601388474711 0.18170444598439 32.065 > 40 41 S 0.11108014031703 0.23482641889195 0.82738200105723 32.065 > 41 42 S 0.24923611999823 0.53209977617185 0.09386163534889 32.065 > 42 43 S 0.44217336163202 0.74963225544392 0.59105485289044 32.065 > 43 44 S 0.29427441284631 0.48576620492992 0.82050316732384 32.065 > 44 45 S 0.90345894331950 0.75531377618062 0.35456549307597 32.065 > 45 46 S 0.29848993778432 0.00398611525289 0.81829555401561 32.065 > 46 47 S 0.75076388000177 0.46790022382815 0.90613836465111 32.065 > 47 48 S 0.88891985968297 0.76517358110805 0.17261799894277 32.065 > 48 49 S 0.70572558715369 0.51423379507009 0.17949683267616 32.065 > 49 50 S 0.54441446909236 0.34069379703089 0.23993889939907 32.065 > 50 51 S 0.45558553090764 0.84069379703089 0.26006110060093 32.065 > 51 52 S 0.70572558715369 0.98576620492991 0.67949683267616 32.065 > 52 53 S 0.88891985968297 0.73482641889195 0.67261799894277 32.065 > 53 54 S 0.45558553090764 0.65930620296911 0.76006110060093 32.065 > 54 55 S 0.23770069524012 0.48788266192809 0.56955790142114 32.065 > 55 56 S 0.70151006221568 0.50398611525289 0.68170444598439 32.065 > 56-------------------------------- super cell --------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 13.762296720000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): *1 Cs 0.15471189254615 0.38089115024537 0.38037815775785 132.905 > 1 2 Cs 0.15471189254615 0.88089115024537 0.38037815775785 132.905 > 1 *3 Cs 0.07005716178332 0.37892176058583 0.11831065708346 132.905 > 2 4 Cs 0.07005716178332 0.87892176058583 0.11831065708346 132.905 > 2 *5 Cs 0.58443549928478 0.37241890545255 0.47398371640100 132.905 > 3 6 Cs 0.58443549928478 0.87241890545255 0.47398371640100 132.905 > 3 7 Cs 0.41556450071522 0.12758109454745 0.52601628359900 132.905 > 4 8 Cs 0.41556450071522 0.62758109454745 0.52601628359900 132.905 > 4 9 Cs 0.41556450071522 0.12241890545255 0.02601628359900 132.905 > 5 10 Cs 0.41556450071522 0.62241890545255 0.02601628359900 132.905 > 5 11 Cs 0.84528810745385 0.13089115024537 0.11962184224215 132.905 > 6 12 Cs 0.84528810745385 0.63089115024537 0.11962184224215 132.905 > 6 13 Cs 0.15471189254615 0.36910884975463 0.88037815775785 132.905 > 7 14 Cs 0.15471189254615 0.86910884975463 0.88037815775785 132.905 > 7 15 Cs 0.58443549928478 0.37758109454745 0.97398371640100 132.905 > 8 16 Cs 0.58443549928478 0.87758109454745 0.97398371640100 132.905 > 8 17 Cs 0.07005716178332 0.37107823941417 0.61831065708346 132.905 > 9 18 Cs 0.07005716178332 0.87107823941417 0.61831065708346 132.905 > 9 19 Cs 0.92994283821668 0.12892176058583 0.38168934291654 132.905 > 10 20 Cs 0.92994283821668 0.62892176058583 0.38168934291654 132.905 > 10 21 Cs 0.92994283821668 0.12107823941417 0.88168934291654 132.905 > 11 22 Cs 0.92994283821668 0.62107823941417 0.88168934291654 132.905 > 11 23 Cs 0.84528810745385 0.11910884975463 0.61962184224215 132.905 > 12 24 Cs 0.84528810745385 0.61910884975463 0.61962184224215 132.905 > 12 *25 Nd 0.35119913884727 0.11766626823628 0.22965564700728 144.242 > 13 26 Nd 0.35119913884727 0.61766626823628 0.22965564700728 144.242 > 13 27 Nd 0.64880086115273 0.36766626823628 0.27034435299272 144.242 > 14 28 Nd 0.64880086115273 0.86766626823628 0.27034435299272 144.242 > 14 29 Nd 0.64880086115273 0.38233373176372 0.77034435299272 144.242 > 15 30 Nd 0.64880086115273 0.88233373176372 0.77034435299272 144.242 > 15 31 Nd 0.35119913884727 0.13233373176372 0.72965564700728 144.242 > 16 32 Nd 0.35119913884727 0.63233373176372 0.72965564700728 144.242 > 16 *33 P 0.19363682490894 0.12975275864908 0.27934781454819 30.974 > 17 34 P 0.19363682490894 0.62975275864908 0.27934781454819 30.974 > 17 *35 P 0.65522157884012 0.11136957638617 0.87209974187053 30.974 > 18 36 P 0.65522157884012 0.61136957638617 0.87209974187053 30.974 > 18 37 P 0.19363682490894 0.12024724135092 0.77934781454819 30.974 > 19 38 P 0.19363682490894 0.62024724135092 0.77934781454819 30.974 > 19 39 P 0.34477842115988 0.38863042361383 0.12790025812947 30.974 > 20 40 P 0.34477842115988 0.88863042361383 0.12790025812947 30.974 > 20 41 P 0.34477842115988 0.36136957638617 0.62790025812947 30.974 > 21 42 P 0.34477842115988 0.86136957638617 0.62790025812947 30.974 > 21 43 P 0.80636317509106 0.37975275864908 0.22065218545181 30.974 > 22 44 P 0.80636317509106 0.87975275864908 0.22065218545181 30.974 > 22 45 P 0.80636317509106 0.37024724135092 0.72065218545181 30.974 > 23 46 P 0.80636317509106 0.87024724135092 0.72065218545181 30.974 > 23 47 P 0.65522157884012 0.13863042361383 0.37209974187053 30.974 > 24 48 P 0.65522157884012 0.63863042361383 0.37209974187053 30.974 > 24 *49 S 0.11108014031703 0.13258679055402 0.32738200105723 32.065 > 25 50 S 0.11108014031703 0.63258679055402 0.32738200105723 32.065 > 25 *51 S 0.55782663836798 0.12481612772196 0.90894514710956 32.065 > 26 52 S 0.55782663836798 0.62481612772196 0.90894514710956 32.065 > 26 *53 S 0.75076388000177 0.01604988808593 0.40613836465111 32.065 > 27 54 S 0.75076388000177 0.51604988808593 0.40613836465111 32.065 > 27 55 S 0.24923611999823 0.48395011191407 0.59386163534889 32.065 > 28 56 S 0.24923611999823 0.98395011191407 0.59386163534889 32.065 > 28 *57 S 0.29427441284631 0.00711689753504 0.32050316732384 32.065 > 29 58 S 0.29427441284631 0.50711689753504 0.32050316732384 32.065 > 29 *59 S 0.29848993778432 0.24800694237355 0.31829555401561 32.065 > 30 60 S 0.29848993778432 0.74800694237355 0.31829555401561 32.065 > 30 *61 S 0.76229930475988 0.25605866903596 0.43044209857886 32.065 > 31 62 S 0.76229930475988 0.75605866903596 0.43044209857886 32.065 > 31 *63 S 0.54441446909236 0.07965310148455 0.73993889939907 32.065 > 32 64 S 0.54441446909236 0.57965310148455 0.73993889939907 32.065 > 32 *65 S 0.90345894331950 0.37234311190969 0.85456549307597 32.065 > 33 66 S 0.90345894331950 0.87234311190969 0.85456549307597 32.065 > 33 67 S 0.09654105668050 0.12765688809031 0.14543450692403 32.065 > 34 68 S 0.09654105668050 0.62765688809031 0.14543450692403 32.065 > 34 69 S 0.23770069524012 0.00605866903596 0.06955790142114 32.065 > 35 70 S 0.23770069524012 0.50605866903596 0.06955790142114 32.065 > 35 71 S 0.09654105668050 0.12234311190969 0.64543450692403 32.065 > 36 72 S 0.09654105668050 0.62234311190969 0.64543450692403 32.065 > 36 73 S 0.44217336163202 0.37518387227804 0.09105485289044 32.065 > 37 74 S 0.44217336163202 0.87518387227804 0.09105485289044 32.065 > 37 75 S 0.55782663836798 0.12518387227804 0.40894514710956 32.065 > 38 76 S 0.55782663836798 0.62518387227804 0.40894514710956 32.065 > 38 77 S 0.76229930475988 0.49394133096404 0.93044209857886 32.065 > 39 78 S 0.76229930475988 0.99394133096404 0.93044209857886 32.065 > 39 79 S 0.70151006221568 0.49800694237355 0.18170444598439 32.065 > 40 80 S 0.70151006221568 0.99800694237355 0.18170444598439 32.065 > 40 81 S 0.11108014031703 0.11741320944598 0.82738200105723 32.065 > 41 82 S 0.11108014031703 0.61741320944598 0.82738200105723 32.065 > 41 83 S 0.24923611999823 0.26604988808593 0.09386163534889 32.065 > 42 84 S 0.24923611999823 0.76604988808593 0.09386163534889 32.065 > 42 85 S 0.44217336163202 0.37481612772196 0.59105485289044 32.065 > 43 86 S 0.44217336163202 0.87481612772196 0.59105485289044 32.065 > 43 87 S 0.29427441284631 0.24288310246496 0.82050316732384 32.065 > 44 88 S 0.29427441284631 0.74288310246496 0.82050316732384 32.065 > 44 89 S 0.90345894331950 0.37765688809031 0.35456549307597 32.065 > 45 90 S 0.90345894331950 0.87765688809031 0.35456549307597 32.065 > 45 91 S 0.29848993778432 0.00199305762645 0.81829555401561 32.065 > 46 92 S 0.29848993778432 0.50199305762645 0.81829555401561 32.065 > 46 93 S 0.75076388000177 0.23395011191407 0.90613836465111 32.065 > 47 94 S 0.75076388000177 0.73395011191407 0.90613836465111 32.065 > 47 95 S 0.88891985968297 0.38258679055402 0.17261799894277 32.065 > 48 96 S 0.88891985968297 0.88258679055402 0.17261799894277 32.065 > 48 97 S 0.70572558715369 0.25711689753504 0.17949683267616 32.065 > 49 98 S 0.70572558715369 0.75711689753504 0.17949683267616 32.065 > 49 99 S 0.54441446909236 0.17034689851545 0.23993889939907 32.065 > 50 100 S 0.54441446909236 0.67034689851545 0.23993889939907 32.065 > 50 101 S 0.45558553090764 0.42034689851545 0.26006110060093 32.065 > 51 102 S 0.45558553090764 0.92034689851545 0.26006110060093 32.065 > 51 103 S 0.70572558715369 0.49288310246496 0.67949683267616 32.065 > 52 104 S 0.70572558715369 0.99288310246496 0.67949683267616 32.065 > 52 105 S 0.88891985968297 0.36741320944598 0.67261799894277 32.065 > 53 106 S 0.88891985968297 0.86741320944598 0.67261799894277 32.065 > 53 107 S 0.45558553090764 0.32965310148455 0.76006110060093 32.065 > 54 108 S 0.45558553090764 0.82965310148455 0.76006110060093 32.065 > 54 109 S 0.23770069524012 0.24394133096404 0.56955790142114 32.065 > 55 110 S 0.23770069524012 0.74394133096404 0.56955790142114 32.065 > 55 111 S 0.70151006221568 0.25199305762645 0.68170444598439 32.065 > 56 112 S 0.70151006221568 0.75199305762645 0.68170444598439 32.065 > 56----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5460966 0.0000000 -0.0726277 0.0000000 4.6139671 0.0000000 -0.0726116 0.0000000 3.9284858-------------------------- Born effective charges -------------------------- 1 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 2 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 3 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 4 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 5 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 6 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 7 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 8 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 9 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 10 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 11 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 12 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 13 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 14 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 15 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 16 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 17 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 18 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 19 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 20 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 21 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 22 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 23 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 24 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 25 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 26 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 27 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 28 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 29 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 30 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654 31 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 32 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 33 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 34 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 35 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 36 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 37 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 38 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 39 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 40 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 41 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 42 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 43 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 44 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 45 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 46 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 47 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 48 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 49 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 50 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 51 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 52 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 53 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 54 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 55 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 56 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654----------------------------------------------------------------------------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: 336/336Permutation basis: 28392/28392Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 7182Number of blocks in projector: 7182Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 225 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 543 eigenvectors found.(1) Complementary block size: 81(1) Compute compressed projector.(1) Use standard solver.(1) 53 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 225 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 543 eigenvectors found.(1) Complementary block size: 81(1) Compute compressed projector.(1) Use standard solver.(1) 53 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 551 eigenvectors found.(1) Complementary block size: 67(1) Compute compressed projector.(1) Use standard solver.(1) 40 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.Tree of FC basis block matrices:- (7182, 7057), data: False|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), 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, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True|-- (1568, 1540), data: False |-- (1568, 53), data: (1568, 81) @ (81, 53) |-- (568, 543), data: False |-- (568, 30), data: (568, 55) @ (55, 30) |-- (68, 56), data: True |-- (250, 225), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 227), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True|-- (1568, 1540), data: False |-- (1568, 53), data: (1568, 81) @ (81, 53) |-- (568, 543), data: False |-- (568, 30), data: (568, 55) @ (55, 30) |-- (68, 56), data: True |-- (250, 225), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 227), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 1680 - Time: 1.946Solver_block: 200 / 1680 - Time: 1.674Solver_block: 300 / 1680 - Time: 1.673Solver_block: 400 / 1680 - Time: 1.667Solver_block: 500 / 1680 - Time: 1.668Solver_block: 600 / 1680 - Time: 1.673Solver_block: 700 / 1680 - Time: 1.676Solver_block: 800 / 1680 - Time: 1.668Solver_block: 900 / 1680 - Time: 1.672Solver_block: 1000 / 1680 - Time: 1.675Solver_block: 1100 / 1680 - Time: 1.679Solver_block: 1200 / 1680 - Time: 1.674Solver_block: 1300 / 1680 - Time: 1.681Solver_block: 1400 / 1680 - Time: 1.683Solver_block: 1500 / 1680 - Time: 1.676Solver_block: 1600 / 1680 - Time: 1.672Solver_block: 1680 / 1680 - Time: 1.400Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.288--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336Permutation basis: 28392/28392Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 7182Number of blocks in projector: 7182Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 225 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 543 eigenvectors found.(1) Complementary block size: 81(1) Compute compressed projector.(1) Use standard solver.(1) 53 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 225 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 543 eigenvectors found.(1) Complementary block size: 81(1) Compute compressed projector.(1) Use standard solver.(1) 53 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 551 eigenvectors found.(1) Complementary block size: 67(1) Compute compressed projector.(1) Use standard solver.(1) 40 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.Tree of FC basis block matrices:- (7182, 7057), data: False|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), 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, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True|-- (1568, 1540), data: False |-- (1568, 53), data: (1568, 81) @ (81, 53) |-- (568, 543), data: False |-- (568, 30), data: (568, 55) @ (55, 30) |-- (68, 56), data: True |-- (250, 225), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 227), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True|-- (1568, 1540), data: False |-- (1568, 53), data: (1568, 81) @ (81, 53) |-- (568, 543), data: False |-- (568, 30), data: (568, 55) @ (55, 30) |-- (68, 56), data: True |-- (250, 225), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 227), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 19:36:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 19:37:00]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 6.881148360000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): 1 Cs 0.15471189254615 0.76178230049075 0.38037815775785 132.905 2 Cs 0.07005716178332 0.75784352117166 0.11831065708346 132.905 3 Cs 0.58443549928478 0.74483781090509 0.47398371640100 132.905 4 Cs 0.41556450071522 0.25516218909491 0.52601628359900 132.905 5 Cs 0.41556450071522 0.24483781090509 0.02601628359900 132.905 6 Cs 0.84528810745385 0.26178230049075 0.11962184224215 132.905 7 Cs 0.15471189254615 0.73821769950925 0.88037815775785 132.905 8 Cs 0.58443549928478 0.75516218909491 0.97398371640100 132.905 9 Cs 0.07005716178332 0.74215647882834 0.61831065708346 132.905 10 Cs 0.92994283821668 0.25784352117166 0.38168934291654 132.905 11 Cs 0.92994283821668 0.24215647882834 0.88168934291654 132.905 12 Cs 0.84528810745385 0.23821769950925 0.61962184224215 132.905 13 Nd 0.35119913884727 0.23533253647256 0.22965564700728 144.242 14 Nd 0.64880086115273 0.73533253647256 0.27034435299272 144.242 15 Nd 0.64880086115273 0.76466746352744 0.77034435299272 144.242 16 Nd 0.35119913884727 0.26466746352744 0.72965564700728 144.242 17 P 0.19363682490894 0.25950551729816 0.27934781454819 30.974 18 P 0.65522157884012 0.22273915277234 0.87209974187053 30.974 19 P 0.19363682490894 0.24049448270184 0.77934781454819 30.974 20 P 0.34477842115988 0.77726084722766 0.12790025812947 30.974 21 P 0.34477842115988 0.72273915277234 0.62790025812947 30.974 22 P 0.80636317509106 0.75950551729816 0.22065218545181 30.974 23 P 0.80636317509106 0.74049448270184 0.72065218545181 30.974 24 P 0.65522157884012 0.27726084722766 0.37209974187053 30.974 25 S 0.11108014031703 0.26517358110805 0.32738200105723 32.065 26 S 0.55782663836798 0.24963225544393 0.90894514710956 32.065 27 S 0.75076388000177 0.03209977617185 0.40613836465111 32.065 28 S 0.24923611999823 0.96790022382815 0.59386163534889 32.065 29 S 0.29427441284631 0.01423379507009 0.32050316732384 32.065 30 S 0.29848993778432 0.49601388474711 0.31829555401561 32.065 31 S 0.76229930475988 0.51211733807191 0.43044209857886 32.065 32 S 0.54441446909236 0.15930620296911 0.73993889939907 32.065 33 S 0.90345894331950 0.74468622381938 0.85456549307597 32.065 34 S 0.09654105668050 0.25531377618062 0.14543450692403 32.065 35 S 0.23770069524012 0.01211733807191 0.06955790142114 32.065 36 S 0.09654105668050 0.24468622381938 0.64543450692403 32.065 37 S 0.44217336163202 0.75036774455608 0.09105485289044 32.065 38 S 0.55782663836798 0.25036774455608 0.40894514710956 32.065 39 S 0.76229930475988 0.98788266192809 0.93044209857886 32.065 40 S 0.70151006221568 0.99601388474711 0.18170444598439 32.065 41 S 0.11108014031703 0.23482641889195 0.82738200105723 32.065 42 S 0.24923611999823 0.53209977617185 0.09386163534889 32.065 43 S 0.44217336163202 0.74963225544392 0.59105485289044 32.065 44 S 0.29427441284631 0.48576620492992 0.82050316732384 32.065 45 S 0.90345894331950 0.75531377618062 0.35456549307597 32.065 46 S 0.29848993778432 0.00398611525289 0.81829555401561 32.065 47 S 0.75076388000177 0.46790022382815 0.90613836465111 32.065 48 S 0.88891985968297 0.76517358110805 0.17261799894277 32.065 49 S 0.70572558715369 0.51423379507009 0.17949683267616 32.065 50 S 0.54441446909236 0.34069379703089 0.23993889939907 32.065 51 S 0.45558553090764 0.84069379703089 0.26006110060093 32.065 52 S 0.70572558715369 0.98576620492991 0.67949683267616 32.065 53 S 0.88891985968297 0.73482641889195 0.67261799894277 32.065 54 S 0.45558553090764 0.65930620296911 0.76006110060093 32.065 55 S 0.23770069524012 0.48788266192809 0.56955790142114 32.065 56 S 0.70151006221568 0.50398611525289 0.68170444598439 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 13.762296720000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): 1 Cs 0.15471189254615 0.38089115024537 0.38037815775785 132.905 > 1 2 Cs 0.15471189254615 0.88089115024537 0.38037815775785 132.905 > 1 3 Cs 0.07005716178332 0.37892176058583 0.11831065708346 132.905 > 3 4 Cs 0.07005716178332 0.87892176058583 0.11831065708346 132.905 > 3 5 Cs 0.58443549928478 0.37241890545255 0.47398371640100 132.905 > 5 6 Cs 0.58443549928478 0.87241890545255 0.47398371640100 132.905 > 5 7 Cs 0.41556450071522 0.12758109454745 0.52601628359900 132.905 > 7 8 Cs 0.41556450071522 0.62758109454745 0.52601628359900 132.905 > 7 9 Cs 0.41556450071522 0.12241890545255 0.02601628359900 132.905 > 9 10 Cs 0.41556450071522 0.62241890545255 0.02601628359900 132.905 > 9 11 Cs 0.84528810745385 0.13089115024537 0.11962184224215 132.905 > 11 12 Cs 0.84528810745385 0.63089115024537 0.11962184224215 132.905 > 11 13 Cs 0.15471189254615 0.36910884975463 0.88037815775785 132.905 > 13 14 Cs 0.15471189254615 0.86910884975463 0.88037815775785 132.905 > 13 15 Cs 0.58443549928478 0.37758109454745 0.97398371640100 132.905 > 15 16 Cs 0.58443549928478 0.87758109454745 0.97398371640100 132.905 > 15 17 Cs 0.07005716178332 0.37107823941417 0.61831065708346 132.905 > 17 18 Cs 0.07005716178332 0.87107823941417 0.61831065708346 132.905 > 17 19 Cs 0.92994283821668 0.12892176058583 0.38168934291654 132.905 > 19 20 Cs 0.92994283821668 0.62892176058583 0.38168934291654 132.905 > 19 21 Cs 0.92994283821668 0.12107823941417 0.88168934291654 132.905 > 21 22 Cs 0.92994283821668 0.62107823941417 0.88168934291654 132.905 > 21 23 Cs 0.84528810745385 0.11910884975463 0.61962184224215 132.905 > 23 24 Cs 0.84528810745385 0.61910884975463 0.61962184224215 132.905 > 23 25 Nd 0.35119913884727 0.11766626823628 0.22965564700728 144.242 > 25 26 Nd 0.35119913884727 0.61766626823628 0.22965564700728 144.242 > 25 27 Nd 0.64880086115273 0.36766626823628 0.27034435299272 144.242 > 27 28 Nd 0.64880086115273 0.86766626823628 0.27034435299272 144.242 > 27 29 Nd 0.64880086115273 0.38233373176372 0.77034435299272 144.242 > 29 30 Nd 0.64880086115273 0.88233373176372 0.77034435299272 144.242 > 29 31 Nd 0.35119913884727 0.13233373176372 0.72965564700728 144.242 > 31 32 Nd 0.35119913884727 0.63233373176372 0.72965564700728 144.242 > 31 33 P 0.19363682490894 0.12975275864908 0.27934781454819 30.974 > 33 34 P 0.19363682490894 0.62975275864908 0.27934781454819 30.974 > 33 35 P 0.65522157884012 0.11136957638617 0.87209974187053 30.974 > 35 36 P 0.65522157884012 0.61136957638617 0.87209974187053 30.974 > 35 37 P 0.19363682490894 0.12024724135092 0.77934781454819 30.974 > 37 38 P 0.19363682490894 0.62024724135092 0.77934781454819 30.974 > 37 39 P 0.34477842115988 0.38863042361383 0.12790025812947 30.974 > 39 40 P 0.34477842115988 0.88863042361383 0.12790025812947 30.974 > 39 41 P 0.34477842115988 0.36136957638617 0.62790025812947 30.974 > 41 42 P 0.34477842115988 0.86136957638617 0.62790025812947 30.974 > 41 43 P 0.80636317509106 0.37975275864908 0.22065218545181 30.974 > 43 44 P 0.80636317509106 0.87975275864908 0.22065218545181 30.974 > 43 45 P 0.80636317509106 0.37024724135092 0.72065218545181 30.974 > 45 46 P 0.80636317509106 0.87024724135092 0.72065218545181 30.974 > 45 47 P 0.65522157884012 0.13863042361383 0.37209974187053 30.974 > 47 48 P 0.65522157884012 0.63863042361383 0.37209974187053 30.974 > 47 49 S 0.11108014031703 0.13258679055402 0.32738200105723 32.065 > 49 50 S 0.11108014031703 0.63258679055402 0.32738200105723 32.065 > 49 51 S 0.55782663836798 0.12481612772196 0.90894514710956 32.065 > 51 52 S 0.55782663836798 0.62481612772196 0.90894514710956 32.065 > 51 53 S 0.75076388000177 0.01604988808593 0.40613836465111 32.065 > 53 54 S 0.75076388000177 0.51604988808593 0.40613836465111 32.065 > 53 55 S 0.24923611999823 0.48395011191407 0.59386163534889 32.065 > 55 56 S 0.24923611999823 0.98395011191407 0.59386163534889 32.065 > 55 57 S 0.29427441284631 0.00711689753504 0.32050316732384 32.065 > 57 58 S 0.29427441284631 0.50711689753504 0.32050316732384 32.065 > 57 59 S 0.29848993778432 0.24800694237355 0.31829555401561 32.065 > 59 60 S 0.29848993778432 0.74800694237355 0.31829555401561 32.065 > 59 61 S 0.76229930475988 0.25605866903596 0.43044209857886 32.065 > 61 62 S 0.76229930475988 0.75605866903596 0.43044209857886 32.065 > 61 63 S 0.54441446909236 0.07965310148455 0.73993889939907 32.065 > 63 64 S 0.54441446909236 0.57965310148455 0.73993889939907 32.065 > 63 65 S 0.90345894331950 0.37234311190969 0.85456549307597 32.065 > 65 66 S 0.90345894331950 0.87234311190969 0.85456549307597 32.065 > 65 67 S 0.09654105668050 0.12765688809031 0.14543450692403 32.065 > 67 68 S 0.09654105668050 0.62765688809031 0.14543450692403 32.065 > 67 69 S 0.23770069524012 0.00605866903596 0.06955790142114 32.065 > 69 70 S 0.23770069524012 0.50605866903596 0.06955790142114 32.065 > 69 71 S 0.09654105668050 0.12234311190969 0.64543450692403 32.065 > 71 72 S 0.09654105668050 0.62234311190969 0.64543450692403 32.065 > 71 73 S 0.44217336163202 0.37518387227804 0.09105485289044 32.065 > 73 74 S 0.44217336163202 0.87518387227804 0.09105485289044 32.065 > 73 75 S 0.55782663836798 0.12518387227804 0.40894514710956 32.065 > 75 76 S 0.55782663836798 0.62518387227804 0.40894514710956 32.065 > 75 77 S 0.76229930475988 0.49394133096404 0.93044209857886 32.065 > 77 78 S 0.76229930475988 0.99394133096404 0.93044209857886 32.065 > 77 79 S 0.70151006221568 0.49800694237355 0.18170444598439 32.065 > 79 80 S 0.70151006221568 0.99800694237355 0.18170444598439 32.065 > 79 81 S 0.11108014031703 0.11741320944598 0.82738200105723 32.065 > 81 82 S 0.11108014031703 0.61741320944598 0.82738200105723 32.065 > 81 83 S 0.24923611999823 0.26604988808593 0.09386163534889 32.065 > 83 84 S 0.24923611999823 0.76604988808593 0.09386163534889 32.065 > 83 85 S 0.44217336163202 0.37481612772196 0.59105485289044 32.065 > 85 86 S 0.44217336163202 0.87481612772196 0.59105485289044 32.065 > 85 87 S 0.29427441284631 0.24288310246496 0.82050316732384 32.065 > 87 88 S 0.29427441284631 0.74288310246496 0.82050316732384 32.065 > 87 89 S 0.90345894331950 0.37765688809031 0.35456549307597 32.065 > 89 90 S 0.90345894331950 0.87765688809031 0.35456549307597 32.065 > 89 91 S 0.29848993778432 0.00199305762645 0.81829555401561 32.065 > 91 92 S 0.29848993778432 0.50199305762645 0.81829555401561 32.065 > 91 93 S 0.75076388000177 0.23395011191407 0.90613836465111 32.065 > 93 94 S 0.75076388000177 0.73395011191407 0.90613836465111 32.065 > 93 95 S 0.88891985968297 0.38258679055402 0.17261799894277 32.065 > 95 96 S 0.88891985968297 0.88258679055402 0.17261799894277 32.065 > 95 97 S 0.70572558715369 0.25711689753504 0.17949683267616 32.065 > 97 98 S 0.70572558715369 0.75711689753504 0.17949683267616 32.065 > 97 99 S 0.54441446909236 0.17034689851545 0.23993889939907 32.065 > 99 100 S 0.54441446909236 0.67034689851545 0.23993889939907 32.065 > 99 101 S 0.45558553090764 0.42034689851545 0.26006110060093 32.065 > 101 102 S 0.45558553090764 0.92034689851545 0.26006110060093 32.065 > 101 103 S 0.70572558715369 0.49288310246496 0.67949683267616 32.065 > 103 104 S 0.70572558715369 0.99288310246496 0.67949683267616 32.065 > 103 105 S 0.88891985968297 0.36741320944598 0.67261799894277 32.065 > 105 106 S 0.88891985968297 0.86741320944598 0.67261799894277 32.065 > 105 107 S 0.45558553090764 0.32965310148455 0.76006110060093 32.065 > 107 108 S 0.45558553090764 0.82965310148455 0.76006110060093 32.065 > 107 109 S 0.23770069524012 0.24394133096404 0.56955790142114 32.065 > 109 110 S 0.23770069524012 0.74394133096404 0.56955790142114 32.065 > 109 111 S 0.70151006221568 0.25199305762645 0.68170444598439 32.065 > 111 112 S 0.70151006221568 0.75199305762645 0.68170444598439 32.065 > 111----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5460966 0.0000000 -0.0726277 0.0000000 4.6139671 0.0000000 -0.0726116 0.0000000 3.9284858-------------------------- Born effective charges -------------------------- 1 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 2 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 3 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 4 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 5 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 6 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 7 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 8 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 9 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 10 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 11 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 12 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 13 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 14 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 15 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 16 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 17 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 18 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 19 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 20 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 21 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 22 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 23 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 24 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 25 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 26 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 27 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 28 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 29 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 30 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654 31 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 32 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 33 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 34 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 35 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 36 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 37 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 38 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 39 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 40 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 41 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 42 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 43 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 44 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 45 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 46 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 47 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 48 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 49 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 50 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 51 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 52 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 53 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 54 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 55 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 56 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654----------------------------------------------------------------------------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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 3, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 5, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 35, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 51, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 19:38:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 19:38:06]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 6.881148360000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): 1 Cs 0.15471189254615 0.76178230049075 0.38037815775785 132.905 2 Cs 0.07005716178332 0.75784352117166 0.11831065708346 132.905 3 Cs 0.58443549928478 0.74483781090509 0.47398371640100 132.905 4 Cs 0.41556450071522 0.25516218909491 0.52601628359900 132.905 5 Cs 0.41556450071522 0.24483781090509 0.02601628359900 132.905 6 Cs 0.84528810745385 0.26178230049075 0.11962184224215 132.905 7 Cs 0.15471189254615 0.73821769950925 0.88037815775785 132.905 8 Cs 0.58443549928478 0.75516218909491 0.97398371640100 132.905 9 Cs 0.07005716178332 0.74215647882834 0.61831065708346 132.905 10 Cs 0.92994283821668 0.25784352117166 0.38168934291654 132.905 11 Cs 0.92994283821668 0.24215647882834 0.88168934291654 132.905 12 Cs 0.84528810745385 0.23821769950925 0.61962184224215 132.905 13 Nd 0.35119913884727 0.23533253647256 0.22965564700728 144.242 14 Nd 0.64880086115273 0.73533253647256 0.27034435299272 144.242 15 Nd 0.64880086115273 0.76466746352744 0.77034435299272 144.242 16 Nd 0.35119913884727 0.26466746352744 0.72965564700728 144.242 17 P 0.19363682490894 0.25950551729816 0.27934781454819 30.974 18 P 0.65522157884012 0.22273915277234 0.87209974187053 30.974 19 P 0.19363682490894 0.24049448270184 0.77934781454819 30.974 20 P 0.34477842115988 0.77726084722766 0.12790025812947 30.974 21 P 0.34477842115988 0.72273915277234 0.62790025812947 30.974 22 P 0.80636317509106 0.75950551729816 0.22065218545181 30.974 23 P 0.80636317509106 0.74049448270184 0.72065218545181 30.974 24 P 0.65522157884012 0.27726084722766 0.37209974187053 30.974 25 S 0.11108014031703 0.26517358110805 0.32738200105723 32.065 26 S 0.55782663836798 0.24963225544393 0.90894514710956 32.065 27 S 0.75076388000177 0.03209977617185 0.40613836465111 32.065 28 S 0.24923611999823 0.96790022382815 0.59386163534889 32.065 29 S 0.29427441284631 0.01423379507009 0.32050316732384 32.065 30 S 0.29848993778432 0.49601388474711 0.31829555401561 32.065 31 S 0.76229930475988 0.51211733807191 0.43044209857886 32.065 32 S 0.54441446909236 0.15930620296911 0.73993889939907 32.065 33 S 0.90345894331950 0.74468622381938 0.85456549307597 32.065 34 S 0.09654105668050 0.25531377618062 0.14543450692403 32.065 35 S 0.23770069524012 0.01211733807191 0.06955790142114 32.065 36 S 0.09654105668050 0.24468622381938 0.64543450692403 32.065 37 S 0.44217336163202 0.75036774455608 0.09105485289044 32.065 38 S 0.55782663836798 0.25036774455608 0.40894514710956 32.065 39 S 0.76229930475988 0.98788266192809 0.93044209857886 32.065 40 S 0.70151006221568 0.99601388474711 0.18170444598439 32.065 41 S 0.11108014031703 0.23482641889195 0.82738200105723 32.065 42 S 0.24923611999823 0.53209977617185 0.09386163534889 32.065 43 S 0.44217336163202 0.74963225544392 0.59105485289044 32.065 44 S 0.29427441284631 0.48576620492992 0.82050316732384 32.065 45 S 0.90345894331950 0.75531377618062 0.35456549307597 32.065 46 S 0.29848993778432 0.00398611525289 0.81829555401561 32.065 47 S 0.75076388000177 0.46790022382815 0.90613836465111 32.065 48 S 0.88891985968297 0.76517358110805 0.17261799894277 32.065 49 S 0.70572558715369 0.51423379507009 0.17949683267616 32.065 50 S 0.54441446909236 0.34069379703089 0.23993889939907 32.065 51 S 0.45558553090764 0.84069379703089 0.26006110060093 32.065 52 S 0.70572558715369 0.98576620492991 0.67949683267616 32.065 53 S 0.88891985968297 0.73482641889195 0.67261799894277 32.065 54 S 0.45558553090764 0.65930620296911 0.76006110060093 32.065 55 S 0.23770069524012 0.48788266192809 0.56955790142114 32.065 56 S 0.70151006221568 0.50398611525289 0.68170444598439 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.264281842142356 0.000000000000000 0.000000000000000 b 0.000000000000000 13.762296720000000 0.000000000000000 c -12.748387406218527 0.000000000000000 15.234105983799736Atomic positions (fractional): 1 Cs 0.15471189254615 0.38089115024537 0.38037815775785 132.905 > 1 2 Cs 0.15471189254615 0.88089115024537 0.38037815775785 132.905 > 1 3 Cs 0.07005716178332 0.37892176058583 0.11831065708346 132.905 > 3 4 Cs 0.07005716178332 0.87892176058583 0.11831065708346 132.905 > 3 5 Cs 0.58443549928478 0.37241890545255 0.47398371640100 132.905 > 5 6 Cs 0.58443549928478 0.87241890545255 0.47398371640100 132.905 > 5 7 Cs 0.41556450071522 0.12758109454745 0.52601628359900 132.905 > 7 8 Cs 0.41556450071522 0.62758109454745 0.52601628359900 132.905 > 7 9 Cs 0.41556450071522 0.12241890545255 0.02601628359900 132.905 > 9 10 Cs 0.41556450071522 0.62241890545255 0.02601628359900 132.905 > 9 11 Cs 0.84528810745385 0.13089115024537 0.11962184224215 132.905 > 11 12 Cs 0.84528810745385 0.63089115024537 0.11962184224215 132.905 > 11 13 Cs 0.15471189254615 0.36910884975463 0.88037815775785 132.905 > 13 14 Cs 0.15471189254615 0.86910884975463 0.88037815775785 132.905 > 13 15 Cs 0.58443549928478 0.37758109454745 0.97398371640100 132.905 > 15 16 Cs 0.58443549928478 0.87758109454745 0.97398371640100 132.905 > 15 17 Cs 0.07005716178332 0.37107823941417 0.61831065708346 132.905 > 17 18 Cs 0.07005716178332 0.87107823941417 0.61831065708346 132.905 > 17 19 Cs 0.92994283821668 0.12892176058583 0.38168934291654 132.905 > 19 20 Cs 0.92994283821668 0.62892176058583 0.38168934291654 132.905 > 19 21 Cs 0.92994283821668 0.12107823941417 0.88168934291654 132.905 > 21 22 Cs 0.92994283821668 0.62107823941417 0.88168934291654 132.905 > 21 23 Cs 0.84528810745385 0.11910884975463 0.61962184224215 132.905 > 23 24 Cs 0.84528810745385 0.61910884975463 0.61962184224215 132.905 > 23 25 Nd 0.35119913884727 0.11766626823628 0.22965564700728 144.242 > 25 26 Nd 0.35119913884727 0.61766626823628 0.22965564700728 144.242 > 25 27 Nd 0.64880086115273 0.36766626823628 0.27034435299272 144.242 > 27 28 Nd 0.64880086115273 0.86766626823628 0.27034435299272 144.242 > 27 29 Nd 0.64880086115273 0.38233373176372 0.77034435299272 144.242 > 29 30 Nd 0.64880086115273 0.88233373176372 0.77034435299272 144.242 > 29 31 Nd 0.35119913884727 0.13233373176372 0.72965564700728 144.242 > 31 32 Nd 0.35119913884727 0.63233373176372 0.72965564700728 144.242 > 31 33 P 0.19363682490894 0.12975275864908 0.27934781454819 30.974 > 33 34 P 0.19363682490894 0.62975275864908 0.27934781454819 30.974 > 33 35 P 0.65522157884012 0.11136957638617 0.87209974187053 30.974 > 35 36 P 0.65522157884012 0.61136957638617 0.87209974187053 30.974 > 35 37 P 0.19363682490894 0.12024724135092 0.77934781454819 30.974 > 37 38 P 0.19363682490894 0.62024724135092 0.77934781454819 30.974 > 37 39 P 0.34477842115988 0.38863042361383 0.12790025812947 30.974 > 39 40 P 0.34477842115988 0.88863042361383 0.12790025812947 30.974 > 39 41 P 0.34477842115988 0.36136957638617 0.62790025812947 30.974 > 41 42 P 0.34477842115988 0.86136957638617 0.62790025812947 30.974 > 41 43 P 0.80636317509106 0.37975275864908 0.22065218545181 30.974 > 43 44 P 0.80636317509106 0.87975275864908 0.22065218545181 30.974 > 43 45 P 0.80636317509106 0.37024724135092 0.72065218545181 30.974 > 45 46 P 0.80636317509106 0.87024724135092 0.72065218545181 30.974 > 45 47 P 0.65522157884012 0.13863042361383 0.37209974187053 30.974 > 47 48 P 0.65522157884012 0.63863042361383 0.37209974187053 30.974 > 47 49 S 0.11108014031703 0.13258679055402 0.32738200105723 32.065 > 49 50 S 0.11108014031703 0.63258679055402 0.32738200105723 32.065 > 49 51 S 0.55782663836798 0.12481612772196 0.90894514710956 32.065 > 51 52 S 0.55782663836798 0.62481612772196 0.90894514710956 32.065 > 51 53 S 0.75076388000177 0.01604988808593 0.40613836465111 32.065 > 53 54 S 0.75076388000177 0.51604988808593 0.40613836465111 32.065 > 53 55 S 0.24923611999823 0.48395011191407 0.59386163534889 32.065 > 55 56 S 0.24923611999823 0.98395011191407 0.59386163534889 32.065 > 55 57 S 0.29427441284631 0.00711689753504 0.32050316732384 32.065 > 57 58 S 0.29427441284631 0.50711689753504 0.32050316732384 32.065 > 57 59 S 0.29848993778432 0.24800694237355 0.31829555401561 32.065 > 59 60 S 0.29848993778432 0.74800694237355 0.31829555401561 32.065 > 59 61 S 0.76229930475988 0.25605866903596 0.43044209857886 32.065 > 61 62 S 0.76229930475988 0.75605866903596 0.43044209857886 32.065 > 61 63 S 0.54441446909236 0.07965310148455 0.73993889939907 32.065 > 63 64 S 0.54441446909236 0.57965310148455 0.73993889939907 32.065 > 63 65 S 0.90345894331950 0.37234311190969 0.85456549307597 32.065 > 65 66 S 0.90345894331950 0.87234311190969 0.85456549307597 32.065 > 65 67 S 0.09654105668050 0.12765688809031 0.14543450692403 32.065 > 67 68 S 0.09654105668050 0.62765688809031 0.14543450692403 32.065 > 67 69 S 0.23770069524012 0.00605866903596 0.06955790142114 32.065 > 69 70 S 0.23770069524012 0.50605866903596 0.06955790142114 32.065 > 69 71 S 0.09654105668050 0.12234311190969 0.64543450692403 32.065 > 71 72 S 0.09654105668050 0.62234311190969 0.64543450692403 32.065 > 71 73 S 0.44217336163202 0.37518387227804 0.09105485289044 32.065 > 73 74 S 0.44217336163202 0.87518387227804 0.09105485289044 32.065 > 73 75 S 0.55782663836798 0.12518387227804 0.40894514710956 32.065 > 75 76 S 0.55782663836798 0.62518387227804 0.40894514710956 32.065 > 75 77 S 0.76229930475988 0.49394133096404 0.93044209857886 32.065 > 77 78 S 0.76229930475988 0.99394133096404 0.93044209857886 32.065 > 77 79 S 0.70151006221568 0.49800694237355 0.18170444598439 32.065 > 79 80 S 0.70151006221568 0.99800694237355 0.18170444598439 32.065 > 79 81 S 0.11108014031703 0.11741320944598 0.82738200105723 32.065 > 81 82 S 0.11108014031703 0.61741320944598 0.82738200105723 32.065 > 81 83 S 0.24923611999823 0.26604988808593 0.09386163534889 32.065 > 83 84 S 0.24923611999823 0.76604988808593 0.09386163534889 32.065 > 83 85 S 0.44217336163202 0.37481612772196 0.59105485289044 32.065 > 85 86 S 0.44217336163202 0.87481612772196 0.59105485289044 32.065 > 85 87 S 0.29427441284631 0.24288310246496 0.82050316732384 32.065 > 87 88 S 0.29427441284631 0.74288310246496 0.82050316732384 32.065 > 87 89 S 0.90345894331950 0.37765688809031 0.35456549307597 32.065 > 89 90 S 0.90345894331950 0.87765688809031 0.35456549307597 32.065 > 89 91 S 0.29848993778432 0.00199305762645 0.81829555401561 32.065 > 91 92 S 0.29848993778432 0.50199305762645 0.81829555401561 32.065 > 91 93 S 0.75076388000177 0.23395011191407 0.90613836465111 32.065 > 93 94 S 0.75076388000177 0.73395011191407 0.90613836465111 32.065 > 93 95 S 0.88891985968297 0.38258679055402 0.17261799894277 32.065 > 95 96 S 0.88891985968297 0.88258679055402 0.17261799894277 32.065 > 95 97 S 0.70572558715369 0.25711689753504 0.17949683267616 32.065 > 97 98 S 0.70572558715369 0.75711689753504 0.17949683267616 32.065 > 97 99 S 0.54441446909236 0.17034689851545 0.23993889939907 32.065 > 99 100 S 0.54441446909236 0.67034689851545 0.23993889939907 32.065 > 99 101 S 0.45558553090764 0.42034689851545 0.26006110060093 32.065 > 101 102 S 0.45558553090764 0.92034689851545 0.26006110060093 32.065 > 101 103 S 0.70572558715369 0.49288310246496 0.67949683267616 32.065 > 103 104 S 0.70572558715369 0.99288310246496 0.67949683267616 32.065 > 103 105 S 0.88891985968297 0.36741320944598 0.67261799894277 32.065 > 105 106 S 0.88891985968297 0.86741320944598 0.67261799894277 32.065 > 105 107 S 0.45558553090764 0.32965310148455 0.76006110060093 32.065 > 107 108 S 0.45558553090764 0.82965310148455 0.76006110060093 32.065 > 107 109 S 0.23770069524012 0.24394133096404 0.56955790142114 32.065 > 109 110 S 0.23770069524012 0.74394133096404 0.56955790142114 32.065 > 109 111 S 0.70151006221568 0.25199305762645 0.68170444598439 32.065 > 111 112 S 0.70151006221568 0.75199305762645 0.68170444598439 32.065 > 111----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5460966 0.0000000 -0.0726277 0.0000000 4.6139671 0.0000000 -0.0726116 0.0000000 3.9284858-------------------------- Born effective charges -------------------------- 1 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 2 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 3 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 4 Cs 1.1075346 -0.0126900 -0.2156610 -0.0110985 1.3312600 0.0139858 -0.1937010 0.0019659 1.7332469 5 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 6 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 7 Cs 1.4064549 -0.0196841 0.1002083 -0.0243452 1.3371043 0.0298802 0.0491825 0.0433914 1.4576305 8 Cs 1.1075346 0.0126900 -0.2156610 0.0110985 1.3312600 -0.0139858 -0.1937010 -0.0019659 1.7332469 9 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 10 Cs 1.5768967 0.0566342 0.1505829 0.0406963 1.5009850 0.0209755 0.1703661 0.0252788 1.2950920 11 Cs 1.5768967 -0.0566342 0.1505829 -0.0406963 1.5009850 -0.0209755 0.1703661 -0.0252788 1.2950920 12 Cs 1.4064549 0.0196841 0.1002083 0.0243452 1.3371043 -0.0298802 0.0491825 -0.0433914 1.4576305 13 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 14 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 15 Nd 3.6513037 -0.0079848 -0.3048898 0.0131674 3.4140226 0.1037833 -0.1243894 0.2375388 2.1387989 16 Nd 3.6513037 0.0079848 -0.3048898 -0.0131674 3.4140226 -0.1037833 -0.1243894 -0.2375388 2.1387989 17 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 18 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 19 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 20 P 2.5316372 0.0371574 0.2321957 0.0402979 3.3472051 0.4938945 0.1127779 0.0504381 1.4910544 21 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 22 P 3.0663606 0.0829637 -0.5231113 -0.0037897 2.0274272 0.0272134 -0.5399624 -0.0295444 1.9338950 23 P 3.0663606 -0.0829637 -0.5231113 0.0037897 2.0274272 -0.0272134 -0.5399624 0.0295444 1.9338950 24 P 2.5316372 -0.0371574 0.2321957 -0.0402979 3.3472051 -0.4938945 0.1127779 -0.0504381 1.4910544 25 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 26 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 27 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 28 S -1.1941986 0.6721518 -0.0550125 0.7137534 -2.6437629 -0.1148460 -0.1825229 -0.0230506 -0.9759206 29 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 30 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654 31 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 32 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 33 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 34 S -1.5790511 0.0133530 -0.0097080 -0.0148874 -1.0141080 -0.0180938 0.0338662 -0.0074364 -1.8955465 35 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 36 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 37 S -1.9222931 0.1154847 0.0138446 0.2302876 -1.0022662 0.0334274 0.2400684 0.0409957 -1.2812910 38 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 39 S -1.0958240 0.4900982 -0.0705579 0.5594128 -2.1938627 -0.0423977 -0.1392375 0.1349571 -1.2681627 40 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 41 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 42 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 43 S -1.9222931 -0.1154847 0.0138446 -0.2302876 -1.0022662 -0.0334274 0.2400684 -0.0409957 -1.2812910 44 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 45 S -1.5790511 -0.0133530 -0.0097080 0.0148874 -1.0141080 0.0180938 0.0338662 0.0074364 -1.8955465 46 S -1.7005801 0.2058398 0.0944228 0.3421949 -1.8597634 0.4302642 0.0874088 0.3791145 -1.0568654 47 S -1.1941986 -0.6721518 -0.0550125 -0.7137534 -2.6437629 0.1148460 -0.1825229 0.0230506 -0.9759206 48 S -2.7132748 -0.0462801 0.5435647 -0.0644225 -0.9383155 0.0081913 0.4770567 0.0142912 -1.1428030 49 S -1.7638901 -0.2031918 0.1579760 -0.2576705 -1.8358839 -0.4146706 0.1304178 -0.3177359 -1.0505297 50 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 51 S -1.3710757 0.4251590 -0.1138546 0.5101312 -1.4700416 -0.2641226 -0.1213312 -0.1314480 -1.3785987 52 S -1.7638901 0.2031918 0.1579760 0.2576705 -1.8358839 0.4146706 0.1304178 0.3177359 -1.0505297 53 S -2.7132748 0.0462801 0.5435647 0.0644225 -0.9383155 -0.0081913 0.4770567 -0.0142912 -1.1428030 54 S -1.3710757 -0.4251590 -0.1138546 -0.5101312 -1.4700416 0.2641226 -0.1213312 0.1314480 -1.3785987 55 S -1.0958240 -0.4900982 -0.0705579 -0.5594128 -2.1938627 0.0423977 -0.1392375 -0.1349571 -1.2681627 56 S -1.7005801 -0.2058398 0.0944228 -0.3421949 -1.8597634 -0.4302642 0.0874088 -0.3791145 -1.0568654----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 7 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: 0.36, Number of G-points: 303, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/28) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.563 ( 0.000 0.000 0.000) 0.000 0.592 ( 0.000 0.000 0.000) 0.000 0.744 ( 0.000 0.000 0.000) 0.000 0.765 ( 0.000 0.000 0.000) 0.000 0.786 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.896 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 0.941 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 15.444 ( 0.000 0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.692 ( 0.000 0.000 0.000) 0.000 15.699 ( 0.000 0.000 0.000) 0.000 15.732 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 15.941 ( 0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.279 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.542 ( 0.000 0.000 0.000) 0.000 16.583 ( 0.000 0.000 0.000) 0.000 16.672 ( 0.000 0.000 0.000) 0.000 16.700 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 17.772 ( 0.000 0.000 0.000) 0.000 17.951 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.079 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/28) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.250 ( 9.833 0.000 5.416) 11.226 0.289 ( 6.403 0.000 9.835) 11.735 0.502 ( 21.936 0.000 5.155) 22.534 0.613 ( 6.162 0.000 -3.579) 7.126 0.678 ( 0.831 0.000 -2.828) 2.947 0.703 ( -5.046 0.000 1.943) 5.407 0.714 ( 6.442 0.000 2.792) 7.021 0.811 ( -1.673 0.000 -0.798) 1.854 0.811 ( -1.748 0.000 -2.357) 2.935 0.868 ( -3.260 0.000 -2.495) 4.105 0.905 ( 0.941 0.000 0.206) 0.964 0.936 ( -0.982 0.000 1.886) 2.127 0.973 ( 1.588 0.000 1.039) 1.898 1.007 ( -1.438 0.000 2.052) 2.506 1.072 ( 2.470 0.000 -1.290) 2.787 1.091 ( 3.086 0.000 0.322) 3.102 1.095 ( -0.450 0.000 0.586) 0.739 1.109 ( -0.383 0.000 2.187) 2.221 1.137 ( -0.874 0.000 2.677) 2.816 1.170 ( 3.145 0.000 3.303) 4.560 1.232 ( 1.103 0.000 0.844) 1.389 1.276 ( 4.561 0.000 1.698) 4.867 1.304 ( 1.675 0.000 -0.741) 1.831 1.370 ( -2.001 0.000 -1.338) 2.406 1.421 ( -2.787 0.000 -2.179) 3.538 1.439 ( -0.717 0.000 -0.411) 0.826 1.474 ( -0.258 0.000 -0.893) 0.929 1.488 ( -1.499 0.000 -1.678) 2.250 1.529 ( 2.987 0.000 0.527) 3.033 1.544 ( -0.098 0.000 -2.686) 2.688 1.624 ( -2.795 0.000 -0.260) 2.808 1.627 ( -1.042 0.000 0.029) 1.042 1.655 ( -1.710 0.000 -7.161) 7.363 1.655 ( -4.296 0.000 -4.993) 6.587 1.695 ( -2.624 0.000 -0.204) 2.632 1.748 ( 0.687 0.000 -2.845) 2.927 1.750 ( 0.659 0.000 -2.369) 2.459 1.779 ( -6.286 0.000 1.038) 6.371 1.841 ( -3.966 0.000 -1.236) 4.154 1.896 ( -3.275 0.000 -0.595) 3.328 2.014 ( 3.821 0.000 2.580) 4.611 2.049 ( 0.542 0.000 2.131) 2.199 2.081 ( -0.227 0.000 0.865) 0.894 2.117 ( -1.540 0.000 0.374) 1.585 2.146 ( -2.520 0.000 1.918) 3.167 2.308 ( 0.206 0.000 2.284) 2.294 2.337 ( 3.441 0.000 -1.372) 3.705 2.349 ( 4.378 0.000 0.474) 4.403 2.423 ( -2.070 0.000 1.339) 2.465 2.436 ( -2.049 0.000 0.358) 2.080 2.482 ( 1.534 0.000 0.896) 1.776 2.542 ( 1.211 0.000 0.017) 1.211 2.558 ( 1.412 0.000 0.022) 1.412 2.608 ( 2.095 0.000 -0.381) 2.130 2.708 ( -2.681 0.000 -1.745) 3.199 2.717 ( -2.927 0.000 2.306) 3.726 2.756 ( -0.746 0.000 0.516) 0.907 2.780 ( -5.792 0.000 0.644) 5.828 2.890 ( 1.362 0.000 1.137) 1.774 2.915 ( -3.016 0.000 3.369) 4.522 3.057 ( 0.543 0.000 0.198) 0.578 3.077 ( 0.561 0.000 -0.056) 0.564 3.100 ( -0.571 0.000 -0.222) 0.613 3.105 ( 0.130 0.000 -1.269) 1.276 3.176 ( 1.350 0.000 1.789) 2.241 3.182 ( -1.357 0.000 0.091) 1.360 3.213 ( 2.231 0.000 0.683) 2.333 3.226 ( 0.304 0.000 -0.976) 1.022 3.265 ( 1.609 0.000 0.796) 1.795 3.280 ( 0.994 0.000 0.246) 1.024 3.330 ( -1.061 0.000 0.664) 1.252 3.378 ( -1.267 0.000 -0.620) 1.411 3.445 ( -0.270 0.000 -1.373) 1.400 3.473 ( 0.232 0.000 0.158) 0.281 3.477 ( -0.143 0.000 -0.725) 0.739 3.513 ( 1.903 0.000 0.655) 2.013 3.791 ( 0.461 0.000 0.364) 0.587 3.795 ( 0.478 0.000 -0.283) 0.556 3.856 ( -0.548 0.000 0.064) 0.552 3.863 ( 1.311 0.000 -0.755) 1.512 3.949 ( -1.458 0.000 -1.171) 1.870 3.962 ( 1.578 0.000 1.186) 1.974 4.138 ( -0.879 0.000 -0.255) 0.916 4.156 ( -0.232 0.000 0.227) 0.324 4.180 ( 0.396 0.000 -0.091) 0.406 4.185 ( 0.872 0.000 0.091) 0.877 4.535 ( 2.448 0.000 0.787) 2.571 4.615 ( -0.277 0.000 1.189) 1.221 4.739 ( 0.845 0.000 1.057) 1.353 4.745 ( -2.708 0.000 -1.891) 3.303 4.865 ( 4.952 0.000 -9.724) 10.912 4.869 ( 3.836 0.000 0.305) 3.848 5.353 ( 0.107 0.000 -0.130) 0.168 5.368 ( 0.048 0.000 -0.653) 0.655 5.410 ( 1.322 0.000 -0.793) 1.541 5.411 ( -0.721 0.000 -0.791) 1.071 5.737 ( -1.137 0.000 -0.558) 1.267 5.748 ( -0.488 0.000 -0.283) 0.564 5.779 ( 0.041 0.000 0.383) 0.385 5.783 ( -0.599 0.000 -0.435) 0.740 5.811 ( 0.374 0.000 -0.288) 0.472 5.852 ( -0.736 0.000 0.499) 0.889 5.853 ( -0.027 0.000 0.080) 0.085 5.889 ( 0.766 0.000 0.988) 1.250 6.282 ( -0.140 0.000 -0.284) 0.316 6.287 ( -0.000 0.000 -0.107) 0.107 6.294 ( 0.171 0.000 -0.035) 0.174 6.295 ( 0.052 0.000 0.244) 0.250 6.808 ( 0.234 0.000 -0.123) 0.264 6.828 ( 0.396 0.000 -0.312) 0.504 6.836 ( 0.073 0.000 0.058) 0.093 6.836 ( 0.281 0.000 0.028) 0.282 7.135 ( 0.199 0.000 0.094) 0.221 7.140 ( -0.141 0.000 -0.082) 0.163 7.164 ( 0.090 0.000 -0.018) 0.092 7.165 ( 0.092 0.000 -0.093) 0.131 7.430 ( -0.592 0.000 0.223) 0.632 7.438 ( 0.265 0.000 0.282) 0.387 7.451 ( -0.247 0.000 -0.626) 0.673 7.488 ( 0.011 0.000 0.164) 0.164 7.542 ( -0.017 0.000 0.113) 0.114 7.548 ( -0.244 0.000 -0.009) 0.244 7.562 ( 0.271 0.000 0.030) 0.273 7.568 ( -0.028 0.000 -0.145) 0.148 7.933 ( -0.149 0.000 -0.528) 0.548 7.948 ( 0.663 0.000 0.192) 0.690 8.078 ( 1.941 0.000 -0.440) 1.990 8.126 ( 4.012 0.000 -4.726) 6.199 8.312 ( -0.012 0.000 0.121) 0.121 8.375 ( -1.069 0.000 -1.171) 1.585 8.453 ( -0.366 0.000 -0.195) 0.415 8.456 ( 0.378 0.000 -0.116) 0.396 8.655 ( -0.454 0.000 -0.391) 0.599 8.683 ( 0.480 0.000 0.371) 0.607 8.742 ( -0.356 0.000 0.750) 0.831 8.786 ( -1.563 0.000 1.797) 2.382 12.298 ( -0.035 0.000 -0.094) 0.100 12.302 ( 0.267 0.000 0.151) 0.307 12.325 ( -0.079 0.000 -0.113) 0.138 12.328 ( 0.062 0.000 -0.006) 0.062 12.471 ( -0.161 0.000 -0.066) 0.173 12.475 ( 0.031 0.000 0.050) 0.059 12.476 ( -0.049 0.000 0.027) 0.056 12.478 ( -0.019 0.000 -0.017) 0.026 15.439 ( 0.149 0.000 0.151) 0.212 15.443 ( -0.520 0.000 -0.320) 0.610 15.451 ( -0.148 0.000 0.008) 0.148 15.471 ( 0.188 0.000 0.312) 0.365 15.683 ( -0.568 0.000 -0.227) 0.612 15.697 ( -1.181 0.000 -0.163) 1.192 15.761 ( 1.403 0.000 0.112) 1.407 15.791 ( 4.021 0.000 -0.399) 4.041 15.943 ( -0.151 0.000 0.172) 0.229 15.953 ( 0.105 0.000 -0.031) 0.110 15.979 ( -3.533 0.000 2.325) 4.229 15.980 ( -1.558 0.000 -0.032) 1.558 16.274 ( -0.201 0.000 -0.249) 0.320 16.294 ( 0.296 0.000 0.158) 0.335 16.427 ( -2.524 0.000 3.504) 4.318 16.507 ( -3.896 0.000 0.965) 4.013 16.593 ( 2.034 0.000 -1.693) 2.646 16.720 ( -0.176 0.000 -1.671) 1.680 16.754 ( 3.628 0.000 1.966) 4.126 16.973 ( 0.543 0.000 0.392) 0.670 17.869 ( 8.462 0.000 -11.999) 14.683 17.972 ( 2.332 0.000 -0.889) 2.496 18.017 ( -1.945 0.000 -0.039) 1.945 18.126 ( 4.489 0.000 -1.766) 4.824======================= Grid point 2 (3/28) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 16Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.406 ( -0.000 0.000 0.000) 0.000 0.423 ( 0.000 0.000 0.000) 0.000 0.617 ( 0.000 0.000 0.000) 0.000 0.652 ( 0.000 0.000 0.000) 0.000 0.674 ( 0.000 0.000 0.000) 0.000 0.697 ( 0.000 0.000 0.000) 0.000 0.759 ( -0.000 0.000 0.000) 0.000 0.808 ( 0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.888 ( -0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 1.021 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.088 ( -0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 0.000) 0.000 1.098 ( -0.000 0.000 0.000) 0.000 1.143 ( 0.000 0.000 0.000) 0.000 1.214 ( -0.000 0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.322 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 -0.000) 0.000 1.342 ( -0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.420 ( -0.000 0.000 0.000) 0.000 1.440 ( -0.000 0.000 0.000) 0.000 1.490 ( -0.000 0.000 -0.000) 0.000 1.523 ( -0.000 0.000 0.000) 0.000 1.545 ( -0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 -0.000) 0.000 1.597 ( -0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 -0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.777 ( -0.000 0.000 -0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.815 ( -0.000 0.000 -0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.076 ( -0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.107 ( -0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.697 ( -0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.095 ( -0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 -0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.324 ( -0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.432 ( -0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.371 ( -0.000 0.000 -0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 -0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.477 ( -0.100 0.000 -0.024) 0.103 12.477 ( 0.100 0.000 0.024) 0.103 15.436 ( 0.000 0.000 0.000) 0.000 15.443 ( -0.000 0.000 0.000) 0.000 15.449 ( 0.000 0.000 0.000) 0.000 15.475 ( 0.000 0.000 0.000) 0.000 15.675 ( 0.000 0.000 0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 15.778 ( -0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 15.948 ( -0.000 0.000 0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 15.957 ( -0.000 0.000 0.000) 0.000 15.958 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.000 ( 0.000 0.000 0.000) 0.000 18.153 ( 0.000 0.000 0.000) 0.000======================= Grid point 5 (4/28) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.215 ( 0.000 13.902 0.000) 13.902 0.323 ( 0.000 15.892 0.000) 15.892 0.657 ( 0.000 8.039 0.000) 8.039 0.665 ( 0.000 25.522 0.000) 25.522 0.763 ( 0.000 3.633 0.000) 3.633 0.804 ( 0.000 7.850 0.000) 7.850 0.853 ( 0.000 4.223 0.000) 4.223 0.880 ( 0.000 6.633 0.000) 6.633 0.917 ( 0.000 4.162 0.000) 4.162 0.931 ( 0.000 14.861 0.000) 14.861 0.954 ( 0.000 0.845 0.000) 0.845 0.956 ( 0.000 2.453 0.000) 2.453 0.999 ( 0.000 0.681 0.000) 0.681 1.036 ( 0.000 0.499 0.000) 0.499 1.058 ( 0.000 6.159 0.000) 6.159 1.142 ( 0.000 7.787 0.000) 7.787 1.146 ( 0.000 5.301 0.000) 5.301 1.204 ( 0.000 7.506 0.000) 7.506 1.218 ( 0.000 1.852 0.000) 1.852 1.234 ( 0.000 13.284 0.000) 13.284 1.296 ( 0.000 11.130 0.000) 11.130 1.299 ( 0.000 7.049 0.000) 7.049 1.378 ( 0.000 7.729 0.000) 7.729 1.420 ( 0.000 1.576 0.000) 1.576 1.430 ( 0.000 -1.600 0.000) 1.600 1.468 ( 0.000 0.452 0.000) 0.452 1.502 ( 0.000 3.094 0.000) 3.094 1.516 ( 0.000 0.179 0.000) 0.179 1.522 ( 0.000 2.039 0.000) 2.039 1.574 ( 0.000 3.131 0.000) 3.131 1.610 ( 0.000 -0.075 0.000) 0.075 1.630 ( 0.000 1.524 0.000) 1.524 1.740 ( 0.000 -2.659 0.000) 2.659 1.742 ( 0.000 2.943 0.000) 2.943 1.751 ( 0.000 1.010 0.000) 1.010 1.807 ( 0.000 3.931 0.000) 3.931 1.838 ( 0.000 0.180 0.000) 0.180 1.875 ( 0.000 2.274 0.000) 2.274 1.894 ( 0.000 2.686 0.000) 2.686 1.896 ( 0.000 -1.966 0.000) 1.966 1.930 ( 0.000 1.549 0.000) 1.549 2.016 ( 0.000 -0.190 0.000) 0.190 2.140 ( 0.000 0.415 0.000) 0.415 2.157 ( 0.000 5.767 0.000) 5.767 2.174 ( 0.000 2.505 0.000) 2.505 2.246 ( 0.000 -4.081 0.000) 4.081 2.265 ( 0.000 -1.837 0.000) 1.837 2.301 ( 0.000 -1.035 0.000) 1.035 2.473 ( 0.000 0.062 0.000) 0.062 2.491 ( 0.000 3.772 0.000) 3.772 2.516 ( 0.000 4.489 0.000) 4.489 2.549 ( 0.000 0.075 0.000) 0.075 2.595 ( 0.000 -0.435 0.000) 0.435 2.599 ( 0.000 4.550 0.000) 4.550 2.635 ( 0.000 3.611 0.000) 3.611 2.742 ( 0.000 0.100 0.000) 0.100 2.763 ( 0.000 -0.971 0.000) 0.971 2.791 ( 0.000 0.079 0.000) 0.079 2.818 ( 0.000 -1.794 0.000) 1.794 2.826 ( 0.000 -2.947 0.000) 2.947 3.090 ( 0.000 0.165 0.000) 0.165 3.103 ( 0.000 -0.007 0.000) 0.007 3.112 ( 0.000 -1.250 0.000) 1.250 3.120 ( 0.000 -0.094 0.000) 0.094 3.197 ( 0.000 1.774 0.000) 1.774 3.206 ( 0.000 -1.583 0.000) 1.583 3.219 ( 0.000 0.292 0.000) 0.292 3.221 ( 0.000 -1.168 0.000) 1.168 3.262 ( 0.000 -0.309 0.000) 0.309 3.285 ( 0.000 2.880 0.000) 2.880 3.320 ( 0.000 -1.317 0.000) 1.317 3.377 ( 0.000 -1.400 0.000) 1.400 3.431 ( 0.000 -2.597 0.000) 2.597 3.448 ( 0.000 -0.702 0.000) 0.702 3.466 ( 0.000 -2.190 0.000) 2.190 3.478 ( 0.000 -0.642 0.000) 0.642 3.845 ( 0.000 0.747 0.000) 0.747 3.854 ( 0.000 0.237 0.000) 0.237 3.855 ( 0.000 5.516 0.000) 5.516 3.891 ( 0.000 1.625 0.000) 1.625 3.942 ( 0.000 0.908 0.000) 0.908 3.996 ( 0.000 0.227 0.000) 0.227 4.197 ( 0.000 3.730 0.000) 3.730 4.203 ( 0.000 2.481 0.000) 2.481 4.208 ( 0.000 2.736 0.000) 2.736 4.400 ( 0.000 -0.708 0.000) 0.708 4.514 ( 0.000 -0.807 0.000) 0.807 4.546 ( 0.000 -0.461 0.000) 0.461 4.622 ( 0.000 1.092 0.000) 1.092 4.689 ( 0.000 -2.059 0.000) 2.059 4.732 ( 0.000 -4.932 0.000) 4.932 4.806 ( 0.000 -0.953 0.000) 0.953 5.369 ( 0.000 1.110 0.000) 1.110 5.375 ( 0.000 1.417 0.000) 1.417 5.392 ( 0.000 -0.270 0.000) 0.270 5.414 ( 0.000 -0.851 0.000) 0.851 5.743 ( 0.000 -1.297 0.000) 1.297 5.754 ( 0.000 -1.495 0.000) 1.495 5.762 ( 0.000 -1.838 0.000) 1.838 5.769 ( 0.000 -1.818 0.000) 1.818 5.853 ( 0.000 4.042 0.000) 4.042 5.886 ( 0.000 2.897 0.000) 2.897 5.902 ( 0.000 2.968 0.000) 2.968 5.955 ( 0.000 1.412 0.000) 1.412 6.309 ( 0.000 1.948 0.000) 1.948 6.311 ( 0.000 1.811 0.000) 1.811 6.314 ( 0.000 1.948 0.000) 1.948 6.317 ( 0.000 2.061 0.000) 2.061 6.790 ( 0.000 -1.591 0.000) 1.591 6.795 ( 0.000 -1.617 0.000) 1.617 6.817 ( 0.000 -1.465 0.000) 1.465 6.822 ( 0.000 -1.447 0.000) 1.447 7.145 ( 0.000 1.106 0.000) 1.106 7.161 ( 0.000 1.503 0.000) 1.503 7.169 ( 0.000 0.667 0.000) 0.667 7.178 ( 0.000 0.634 0.000) 0.634 7.413 ( 0.000 -1.779 0.000) 1.779 7.413 ( 0.000 -1.751 0.000) 1.751 7.424 ( 0.000 -2.654 0.000) 2.654 7.448 ( 0.000 -2.481 0.000) 2.481 7.575 ( 0.000 2.905 0.000) 2.905 7.582 ( 0.000 2.561 0.000) 2.561 7.601 ( 0.000 2.643 0.000) 2.643 7.602 ( 0.000 2.660 0.000) 2.660 7.957 ( 0.000 1.485 0.000) 1.485 8.038 ( 0.000 -0.971 0.000) 0.971 8.039 ( 0.000 0.266 0.000) 0.266 8.050 ( 0.000 -1.119 0.000) 1.119 8.307 ( 0.000 -0.386 0.000) 0.386 8.373 ( 0.000 -1.849 0.000) 1.849 8.435 ( 0.000 -1.337 0.000) 1.337 8.449 ( 0.000 -0.976 0.000) 0.976 8.634 ( 0.000 -2.515 0.000) 2.515 8.652 ( 0.000 -2.020 0.000) 2.020 8.691 ( 0.000 -2.761 0.000) 2.761 8.716 ( 0.000 -2.224 0.000) 2.224 12.291 ( 0.000 -0.644 0.000) 0.644 12.295 ( 0.000 -0.553 0.000) 0.553 12.312 ( 0.000 -1.006 0.000) 1.006 12.320 ( 0.000 -0.857 0.000) 0.857 12.463 ( 0.000 -0.980 0.000) 0.980 12.465 ( 0.000 -1.001 0.000) 1.001 12.465 ( 0.000 -0.879 0.000) 0.879 12.466 ( 0.000 -0.986 0.000) 0.986 15.456 ( 0.000 1.259 0.000) 1.259 15.481 ( 0.000 2.561 0.000) 2.561 15.489 ( 0.000 1.284 0.000) 1.284 15.557 ( 0.000 -0.182 0.000) 0.182 15.705 ( 0.000 1.199 0.000) 1.199 15.723 ( 0.000 2.445 0.000) 2.445 15.724 ( 0.000 0.120 0.000) 0.120 15.812 ( 0.000 1.286 0.000) 1.286 15.954 ( 0.000 1.291 0.000) 1.291 16.012 ( 0.000 4.797 0.000) 4.797 16.023 ( 0.000 2.470 0.000) 2.470 16.171 ( 0.000 -0.446 0.000) 0.446 16.310 ( 0.000 3.154 0.000) 3.154 16.390 ( 0.000 -0.551 0.000) 0.551 16.492 ( 0.000 -3.789 0.000) 3.789 16.561 ( 0.000 -2.158 0.000) 2.158 16.616 ( 0.000 -4.284 0.000) 4.284 16.664 ( 0.000 -6.213 0.000) 6.213 16.685 ( 0.000 -1.222 0.000) 1.222 16.718 ( 0.000 0.437 0.000) 0.437 17.743 ( 0.000 -2.539 0.000) 2.539 17.902 ( 0.000 -4.417 0.000) 4.417 17.998 ( 0.000 -4.838 0.000) 4.838 18.008 ( 0.000 -6.155 0.000) 6.155======================= Grid point 6 (5/28) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 5.141 9.507 8.500) 13.750 0.491 ( 13.317 9.487 2.089) 16.483 0.697 ( -0.720 9.010 0.170) 9.041 0.728 ( 2.538 6.750 -1.601) 7.387 0.751 ( 5.852 8.066 0.759) 9.994 0.801 ( 0.020 7.236 -0.077) 7.236 0.848 ( 2.593 8.682 0.782) 9.095 0.889 ( 0.541 6.490 -0.414) 6.525 0.906 ( 0.124 11.789 -1.793) 11.926 0.935 ( -1.006 5.222 0.299) 5.327 0.958 ( -0.351 0.715 0.347) 0.868 0.995 ( 1.884 3.513 1.705) 4.336 1.003 ( -2.918 4.470 -0.867) 5.408 1.029 ( 1.026 1.668 0.228) 1.971 1.110 ( 0.862 6.205 1.263) 6.391 1.130 ( 1.024 6.991 2.138) 7.383 1.154 ( 1.253 5.280 0.686) 5.470 1.207 ( -1.179 9.947 -0.314) 10.022 1.225 ( -0.353 3.680 1.087) 3.853 1.234 ( 2.003 5.598 2.827) 6.583 1.298 ( 2.015 9.173 1.324) 9.484 1.368 ( 1.214 5.056 0.234) 5.205 1.382 ( 2.961 7.899 -0.524) 8.452 1.405 ( -1.214 3.950 -0.432) 4.155 1.431 ( -0.538 0.624 -2.176) 2.327 1.467 ( 0.168 -0.826 -0.686) 1.087 1.479 ( -1.105 1.337 -1.529) 2.312 1.515 ( 0.182 3.272 -0.478) 3.311 1.535 ( 2.328 2.109 0.352) 3.161 1.561 ( -0.127 1.973 -0.903) 2.174 1.621 ( -1.321 -0.053 -0.459) 1.400 1.634 ( -0.234 2.212 1.511) 2.689 1.650 ( -0.136 0.415 -6.038) 6.054 1.672 ( -6.133 1.447 -2.778) 6.887 1.727 ( 0.355 -0.129 -2.861) 2.886 1.767 ( -3.422 5.282 -2.692) 6.845 1.787 ( -4.051 1.397 -2.552) 4.987 1.811 ( -2.264 3.920 0.346) 4.540 1.839 ( -3.114 1.089 -0.607) 3.355 1.881 ( -3.975 -0.497 -0.458) 4.032 1.999 ( 3.774 -0.586 3.616) 5.260 2.042 ( 0.150 -0.684 1.744) 1.880 2.129 ( -1.632 0.490 0.978) 1.965 2.164 ( -0.387 5.208 0.966) 5.310 2.179 ( -0.114 3.130 -0.406) 3.158 2.288 ( 2.564 -2.500 -0.257) 3.591 2.294 ( 2.007 -3.577 1.630) 4.413 2.331 ( 2.836 -1.905 0.217) 3.423 2.452 ( -1.313 2.213 0.577) 2.637 2.479 ( -1.454 2.744 0.572) 3.158 2.508 ( -0.152 2.771 -0.532) 2.825 2.565 ( 0.157 -0.847 0.483) 0.988 2.588 ( 1.621 3.702 0.334) 4.055 2.615 ( 0.056 3.978 0.699) 4.039 2.677 ( -0.839 -0.761 0.974) 1.494 2.711 ( -1.662 0.208 -0.815) 1.863 2.758 ( -0.184 0.176 0.731) 0.774 2.773 ( -1.638 0.731 0.270) 1.814 2.829 ( 0.962 -4.256 0.201) 4.368 2.870 ( 1.306 -2.200 1.274) 2.858 3.077 ( -0.617 0.050 -0.289) 0.683 3.092 ( -0.588 -0.400 0.097) 0.718 3.107 ( -0.123 -1.117 -0.653) 1.300 3.122 ( -0.474 1.543 0.933) 1.864 3.175 ( -2.114 0.782 -0.045) 2.254 3.205 ( -0.460 -1.128 -0.629) 1.371 3.222 ( 1.646 1.194 0.350) 2.063 3.247 ( 1.883 -0.806 0.565) 2.125 3.252 ( -0.983 3.090 -0.501) 3.281 3.285 ( 1.735 -0.246 0.132) 1.757 3.323 ( -0.380 -0.552 0.714) 0.979 3.360 ( -1.330 -1.509 -0.778) 2.157 3.428 ( -0.710 -2.774 0.031) 2.864 3.436 ( -0.648 -1.039 -0.196) 1.240 3.455 ( 0.264 -1.706 -0.865) 1.931 3.498 ( 1.100 -1.297 0.405) 1.749 3.844 ( 0.101 1.967 0.195) 1.979 3.854 ( 0.494 2.354 0.100) 2.408 3.867 ( 0.718 3.362 -0.290) 3.450 3.894 ( -0.378 2.491 -0.007) 2.519 3.949 ( -0.361 -0.162 -0.088) 0.406 3.967 ( -0.855 1.050 -0.501) 1.444 4.173 ( -0.857 2.970 -0.389) 3.116 4.202 ( -0.931 2.939 0.305) 3.098 4.224 ( -0.286 3.567 0.627) 3.633 4.247 ( -2.047 4.650 -1.390) 5.267 4.529 ( 1.894 -1.119 0.116) 2.202 4.622 ( -0.344 0.772 0.695) 1.094 4.677 ( -0.589 -7.091 2.185) 7.443 4.697 ( -0.847 -2.951 -0.066) 3.071 4.774 ( 7.676 -2.988 -3.262) 8.859 4.835 ( 3.512 -3.223 -1.416) 4.972 5.367 ( 0.004 1.047 -0.098) 1.052 5.375 ( 0.112 0.773 -0.417) 0.886 5.397 ( 0.295 -0.442 0.359) 0.641 5.405 ( -0.724 -0.426 -0.393) 0.927 5.725 ( -1.099 -1.254 -0.387) 1.711 5.735 ( -0.517 -1.265 -0.104) 1.371 5.756 ( -1.092 -1.934 -0.190) 2.229 5.790 ( 0.400 -1.054 0.717) 1.336 5.860 ( 0.488 4.349 0.215) 4.382 5.886 ( -0.044 3.051 0.060) 3.052 5.897 ( -0.503 2.868 -0.080) 2.913 5.912 ( -1.210 2.951 -1.035) 3.353 6.303 ( -0.283 2.050 0.069) 2.071 6.310 ( -0.071 1.950 -0.180) 1.959 6.316 ( 0.113 1.890 0.095) 1.896 6.320 ( 0.271 2.117 0.080) 2.136 6.792 ( 0.266 -1.477 -0.072) 1.503 6.802 ( 0.499 -2.064 -0.061) 2.124 6.818 ( 0.029 -1.586 0.023) 1.586 6.822 ( 0.124 -1.389 0.076) 1.396 7.145 ( 0.074 1.040 -0.093) 1.047 7.163 ( -0.085 1.508 0.188) 1.522 7.171 ( 0.119 0.758 -0.253) 0.808 7.180 ( 0.430 1.024 -0.022) 1.111 7.407 ( -0.398 -2.021 0.026) 2.060 7.414 ( 0.032 -1.885 0.020) 1.886 7.421 ( 0.141 -2.354 -0.614) 2.437 7.456 ( 0.368 -2.507 0.239) 2.545 7.573 ( -0.219 2.719 0.057) 2.728 7.579 ( -0.178 2.615 0.121) 2.624 7.599 ( -0.016 2.678 -0.244) 2.689 7.610 ( 0.327 3.358 0.080) 3.375 7.953 ( -0.194 1.637 -0.249) 1.667 7.989 ( -1.060 2.103 0.261) 2.369 8.052 ( 0.641 -1.922 -0.469) 2.080 8.084 ( 2.274 -2.753 -1.670) 3.942 8.306 ( 0.244 -0.410 -0.284) 0.555 8.359 ( -0.627 -1.272 -0.854) 1.656 8.440 ( 0.132 -1.211 -0.057) 1.220 8.444 ( -0.067 -1.029 -0.277) 1.068 8.625 ( -0.334 -2.442 -0.509) 2.516 8.655 ( 0.568 -2.389 0.061) 2.457 8.712 ( -0.435 -2.707 0.529) 2.792 8.734 ( 0.459 -3.597 1.980) 4.132 12.292 ( -0.036 -0.557 -0.112) 0.569 12.295 ( 0.255 -0.624 0.090) 0.680 12.315 ( -0.044 -0.839 -0.044) 0.841 12.318 ( 0.064 -0.917 0.015) 0.920 12.460 ( -0.178 -0.952 -0.024) 0.968 12.464 ( -0.052 -1.013 0.033) 1.015 12.466 ( -0.037 -0.922 0.024) 0.923 12.466 ( 0.023 -1.027 0.019) 1.027 15.462 ( 0.337 1.457 0.282) 1.522 15.474 ( -0.237 2.024 -0.171) 2.045 15.493 ( -0.249 1.925 -0.108) 1.944 15.530 ( -1.223 2.245 -0.395) 2.587 15.704 ( -0.259 1.344 0.169) 1.380 15.720 ( -0.166 2.925 0.120) 2.932 15.744 ( 0.991 -0.218 -0.375) 1.082 15.810 ( 1.696 0.650 -0.721) 1.954 15.966 ( -0.320 1.282 1.346) 1.886 16.007 ( -0.352 3.222 -0.536) 3.285 16.018 ( -0.804 4.160 0.598) 4.279 16.095 ( -4.607 5.062 -2.312) 7.225 16.313 ( 0.189 3.853 0.216) 3.864 16.366 ( -1.858 5.587 -2.325) 6.330 16.416 ( -3.545 -0.487 1.280) 3.800 16.493 ( -1.580 -2.051 2.152) 3.367 16.563 ( -0.199 -1.464 -2.139) 2.600 16.658 ( -0.532 -5.269 -1.348) 5.465 16.682 ( 3.275 -6.339 1.112) 7.221 16.873 ( 2.687 -6.605 1.829) 7.362 17.789 ( 5.615 -5.230 -4.546) 8.919 17.914 ( 0.793 -4.791 0.641) 4.898 17.966 ( -1.585 -4.492 0.000) 4.764 18.046 ( 3.237 -6.841 -1.300) 7.679======================= Grid point 7 (6/28) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( 0.000 8.646 0.000) 8.646 0.624 ( 0.000 6.163 0.000) 6.163 0.682 ( 0.000 4.752 0.000) 4.752 0.716 ( 0.000 6.861 0.000) 6.861 0.816 ( 0.000 2.616 0.000) 2.616 0.855 ( -0.000 14.893 -0.000) 14.893 0.855 ( 0.000 8.573 0.000) 8.573 0.894 ( -0.000 14.773 0.000) 14.773 0.898 ( 0.000 3.668 -0.000) 3.668 0.906 ( 0.000 2.715 0.000) 2.715 0.957 ( 0.000 1.228 -0.000) 1.228 0.958 ( -0.000 5.423 0.000) 5.423 1.026 ( 0.000 -1.187 0.000) 1.187 1.046 ( 0.000 4.158 0.000) 4.158 1.129 ( 0.000 5.506 0.000) 5.506 1.156 ( 0.000 6.660 0.000) 6.660 1.186 ( 0.000 4.107 0.000) 4.107 1.226 ( -0.000 7.032 0.000) 7.032 1.239 ( 0.000 4.627 -0.000) 4.627 1.329 ( 0.000 4.003 -0.000) 4.003 1.331 ( -0.000 10.608 0.000) 10.608 1.381 ( 0.000 5.985 0.000) 5.985 1.390 ( 0.000 2.774 0.000) 2.774 1.400 ( -0.000 3.961 0.000) 3.961 1.423 ( 0.000 5.516 0.000) 5.516 1.427 ( 0.000 3.676 0.000) 3.676 1.449 ( 0.000 3.238 0.000) 3.238 1.476 ( -0.000 2.159 0.000) 2.159 1.503 ( -0.000 2.953 0.000) 2.953 1.557 ( 0.000 2.730 0.000) 2.730 1.584 ( -0.000 3.215 0.000) 3.215 1.598 ( 0.000 1.120 -0.000) 1.120 1.599 ( -0.000 1.373 0.000) 1.373 1.669 ( 0.000 2.184 -0.000) 2.184 1.693 ( 0.000 1.086 0.000) 1.086 1.737 ( 0.000 3.648 0.000) 3.648 1.759 ( 0.000 -2.145 0.000) 2.145 1.780 ( 0.000 0.187 0.000) 0.187 1.798 ( 0.000 -0.606 0.000) 0.606 1.825 ( 0.000 4.304 0.000) 4.304 2.054 ( 0.000 -1.189 0.000) 1.189 2.073 ( -0.000 0.028 0.000) 0.028 2.119 ( 0.000 -0.498 0.000) 0.498 2.160 ( 0.000 5.310 0.000) 5.310 2.172 ( 0.000 4.650 0.000) 4.650 2.313 ( -0.000 -1.674 0.000) 1.674 2.321 ( 0.000 -4.734 0.000) 4.734 2.359 ( 0.000 -2.817 0.000) 2.817 2.446 ( 0.000 2.809 0.000) 2.809 2.472 ( -0.000 4.320 0.000) 4.320 2.502 ( 0.000 0.437 0.000) 0.437 2.571 ( 0.000 -1.502 0.000) 1.502 2.607 ( 0.000 4.075 0.000) 4.075 2.626 ( 0.000 3.899 0.000) 3.899 2.657 ( -0.000 -0.867 0.000) 0.867 2.695 ( -0.000 0.871 0.000) 0.871 2.755 ( 0.000 1.036 0.000) 1.036 2.767 ( 0.000 1.152 0.000) 1.152 2.839 ( 0.000 -4.718 0.000) 4.718 2.885 ( -0.000 -1.803 0.000) 1.803 3.071 ( 0.000 0.545 0.000) 0.545 3.086 ( 0.000 -0.625 0.000) 0.625 3.113 ( 0.000 -1.506 -0.000) 1.506 3.114 ( -0.000 1.119 0.000) 1.119 3.167 ( 0.000 3.146 0.000) 3.146 3.189 ( 0.000 -1.605 0.000) 1.605 3.243 ( 0.000 -0.341 0.000) 0.341 3.247 ( 0.000 0.762 0.000) 0.762 3.270 ( 0.000 -0.135 0.000) 0.135 3.308 ( 0.000 0.591 0.000) 0.591 3.321 ( -0.000 -0.264 0.000) 0.264 3.339 ( 0.000 -1.500 0.000) 1.500 3.419 ( 0.000 -3.516 -0.000) 3.516 3.425 ( 0.000 -0.552 0.000) 0.552 3.452 ( 0.000 -1.705 0.000) 1.705 3.513 ( 0.000 -2.039 0.000) 2.039 3.853 ( 0.000 0.549 0.000) 0.549 3.857 ( 0.000 4.061 0.000) 4.061 3.873 ( 0.000 5.346 0.000) 5.346 3.881 ( -0.000 1.118 0.000) 1.118 3.928 ( 0.000 0.879 0.000) 0.879 3.973 ( 0.000 -1.039 0.000) 1.039 4.163 ( 0.000 2.972 0.000) 2.972 4.197 ( 0.000 3.259 0.000) 3.259 4.222 ( 0.000 3.280 0.000) 3.280 4.236 ( 0.000 3.479 0.000) 3.479 4.562 ( 0.000 -3.638 0.000) 3.638 4.626 ( 0.000 0.327 0.000) 0.327 4.671 ( 0.000 -0.068 0.000) 0.068 4.685 ( 0.000 -6.297 0.000) 6.297 4.809 ( 0.000 -1.641 0.000) 1.641 4.856 ( 0.000 -4.392 0.000) 4.392 5.370 ( -0.000 -0.083 0.000) 0.083 5.375 ( 0.000 0.865 0.000) 0.865 5.386 ( 0.000 0.956 0.000) 0.956 5.403 ( 0.000 -0.749 0.000) 0.749 5.714 ( 0.000 -1.016 0.000) 1.016 5.732 ( 0.000 -1.099 0.000) 1.099 5.741 ( 0.000 -2.307 0.000) 2.307 5.795 ( 0.000 -0.134 0.000) 0.134 5.867 ( 0.000 4.738 0.000) 4.738 5.885 ( 0.000 3.219 0.000) 3.219 5.890 ( 0.000 3.302 0.000) 3.302 5.903 ( 0.000 1.005 0.000) 1.005 6.301 ( 0.000 2.037 0.000) 2.037 6.308 ( 0.000 1.982 0.000) 1.982 6.318 ( 0.000 1.924 0.000) 1.924 6.325 ( 0.000 2.210 0.000) 2.210 6.794 ( 0.000 -1.427 0.000) 1.427 6.806 ( 0.000 -2.092 0.000) 2.092 6.818 ( 0.000 -1.764 0.000) 1.764 6.825 ( 0.000 -1.301 0.000) 1.301 7.145 ( 0.000 1.120 0.000) 1.120 7.166 ( 0.000 1.766 0.000) 1.766 7.166 ( 0.000 0.510 -0.000) 0.510 7.185 ( 0.000 1.219 0.000) 1.219 7.403 ( -0.000 -2.008 0.000) 2.008 7.415 ( -0.000 -2.193 0.000) 2.193 7.416 ( 0.000 -2.077 -0.000) 2.077 7.461 ( 0.000 -2.378 0.000) 2.378 7.571 ( 0.000 2.532 0.000) 2.532 7.579 ( 0.000 2.732 0.000) 2.732 7.597 ( 0.000 2.669 0.000) 2.669 7.612 ( 0.000 3.741 0.000) 3.741 7.949 ( 0.000 1.766 0.000) 1.766 7.988 ( 0.000 2.294 0.000) 2.294 8.055 ( 0.000 -3.359 0.000) 3.359 8.088 ( 0.000 -3.025 0.000) 3.025 8.306 ( 0.000 -0.470 0.000) 0.470 8.344 ( 0.000 -0.510 0.000) 0.510 8.436 ( 0.000 -1.008 0.000) 1.008 8.444 ( 0.000 -1.131 0.000) 1.131 8.618 ( 0.000 -2.385 0.000) 2.385 8.662 ( 0.000 -2.518 0.000) 2.518 8.711 ( 0.000 -2.954 0.000) 2.954 8.750 ( 0.000 -3.127 0.000) 3.127 12.290 ( 0.000 -0.526 0.000) 0.526 12.299 ( 0.000 -0.640 0.000) 0.640 12.312 ( 0.000 -0.853 0.000) 0.853 12.320 ( 0.000 -0.855 0.000) 0.855 12.458 ( 0.000 -0.934 0.000) 0.934 12.464 ( 0.000 -1.091 0.000) 1.091 12.465 ( 0.000 -0.983 0.000) 0.983 12.467 ( 0.000 -0.926 0.000) 0.926 15.469 ( 0.000 1.969 0.000) 1.969 15.476 ( -0.000 1.753 -0.000) 1.753 15.478 ( 0.000 1.989 0.000) 1.989 15.522 ( 0.000 2.846 0.000) 2.846 15.701 ( 0.000 2.292 0.000) 2.292 15.719 ( 0.000 3.262 0.000) 3.262 15.749 ( -0.000 -0.964 0.000) 0.964 15.831 ( 0.000 -1.019 0.000) 1.019 15.969 ( 0.000 1.902 0.000) 1.902 15.991 ( 0.000 2.953 0.000) 2.953 16.017 ( 0.000 4.591 0.000) 4.591 16.044 ( 0.000 5.859 0.000) 5.859 16.318 ( 0.000 4.841 0.000) 4.841 16.340 ( 0.000 4.325 0.000) 4.325 16.405 ( 0.000 -2.098 0.000) 2.098 16.498 ( 0.000 1.703 0.000) 1.703 16.541 ( 0.000 -5.016 0.000) 5.016 16.641 ( 0.000 -5.397 0.000) 5.397 16.728 ( 0.000 -7.299 0.000) 7.299 16.902 ( 0.000 -6.125 0.000) 6.125 17.798 ( 0.000 -4.619 0.000) 4.619 17.928 ( 0.000 -5.086 0.000) 5.086 17.953 ( 0.000 -4.192 0.000) 4.192 18.065 ( 0.000 -7.514 0.000) 7.514======================= Grid point 10 (7/28) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( 0.000 15.342 0.000) 15.342 0.642 ( 0.000 13.618 0.000) 13.618 0.815 ( 0.000 1.155 0.000) 1.155 0.817 ( 0.000 6.341 0.000) 6.341 0.865 ( 0.000 4.558 0.000) 4.558 0.901 ( 0.000 1.293 0.000) 1.293 0.918 ( 0.000 1.562 0.000) 1.562 0.959 ( 0.000 -0.263 0.000) 0.263 0.960 ( 0.000 0.976 0.000) 0.976 0.992 ( 0.000 4.096 0.000) 4.096 1.027 ( 0.000 1.462 0.000) 1.462 1.118 ( 0.000 8.191 0.000) 8.191 1.151 ( 0.000 1.918 0.000) 1.918 1.189 ( 0.000 4.729 0.000) 4.729 1.242 ( 0.000 5.993 0.000) 5.993 1.271 ( 0.000 11.044 0.000) 11.044 1.299 ( 0.000 8.122 0.000) 8.122 1.365 ( 0.000 6.838 0.000) 6.838 1.371 ( 0.000 3.254 0.000) 3.254 1.416 ( 0.000 1.949 0.000) 1.949 1.430 ( 0.000 4.229 0.000) 4.229 1.432 ( 0.000 4.693 0.000) 4.693 1.458 ( 0.000 9.461 0.000) 9.461 1.488 ( 0.000 6.320 0.000) 6.320 1.500 ( 0.000 1.799 0.000) 1.799 1.531 ( 0.000 5.076 0.000) 5.076 1.543 ( 0.000 4.186 0.000) 4.186 1.574 ( 0.000 4.839 0.000) 4.839 1.593 ( 0.000 1.813 0.000) 1.813 1.604 ( 0.000 1.145 0.000) 1.145 1.670 ( 0.000 2.827 0.000) 2.827 1.712 ( 0.000 3.467 0.000) 3.467 1.720 ( 0.000 3.274 0.000) 3.274 1.785 ( 0.000 0.682 0.000) 0.682 1.788 ( 0.000 2.509 0.000) 2.509 1.839 ( 0.000 0.277 0.000) 0.277 1.875 ( 0.000 3.811 0.000) 3.811 1.898 ( 0.000 1.018 0.000) 1.018 1.931 ( 0.000 2.721 0.000) 2.721 2.003 ( 0.000 6.603 0.000) 6.603 2.018 ( 0.000 6.890 0.000) 6.890 2.021 ( 0.000 0.583 0.000) 0.583 2.134 ( 0.000 -3.761 0.000) 3.761 2.180 ( 0.000 1.576 0.000) 1.576 2.180 ( 0.000 -0.991 0.000) 0.991 2.220 ( 0.000 -0.670 0.000) 0.670 2.252 ( 0.000 -0.008 0.000) 0.008 2.268 ( 0.000 -0.286 0.000) 0.286 2.514 ( 0.000 3.283 0.000) 3.283 2.535 ( 0.000 0.074 0.000) 0.074 2.585 ( 0.000 2.930 0.000) 2.930 2.602 ( 0.000 3.710 0.000) 3.710 2.629 ( 0.000 2.406 0.000) 2.406 2.668 ( 0.000 0.433 0.000) 0.433 2.711 ( 0.000 3.657 0.000) 3.657 2.752 ( 0.000 0.563 0.000) 0.563 2.763 ( 0.000 2.173 0.000) 2.173 2.775 ( 0.000 0.780 0.000) 0.780 2.810 ( 0.000 1.921 0.000) 1.921 2.821 ( 0.000 0.981 0.000) 0.981 3.065 ( 0.000 -1.960 0.000) 1.960 3.077 ( 0.000 -2.543 0.000) 2.543 3.100 ( 0.000 -1.009 0.000) 1.009 3.113 ( 0.000 -0.671 0.000) 0.671 3.169 ( 0.000 -1.356 0.000) 1.356 3.183 ( 0.000 -2.173 0.000) 2.173 3.187 ( 0.000 -1.041 0.000) 1.041 3.231 ( 0.000 -1.044 0.000) 1.044 3.271 ( 0.000 0.616 0.000) 0.616 3.293 ( 0.000 -1.091 0.000) 1.091 3.321 ( 0.000 -0.244 0.000) 0.244 3.348 ( 0.000 -1.520 0.000) 1.520 3.413 ( 0.000 1.002 0.000) 1.002 3.439 ( 0.000 0.895 0.000) 0.895 3.444 ( 0.000 0.558 0.000) 0.558 3.466 ( 0.000 -0.260 0.000) 0.260 3.864 ( 0.000 1.327 0.000) 1.327 3.877 ( 0.000 1.740 0.000) 1.740 3.923 ( 0.000 1.306 0.000) 1.306 3.959 ( 0.000 0.507 0.000) 0.507 3.977 ( 0.000 5.738 0.000) 5.738 4.029 ( 0.000 3.033 0.000) 3.033 4.249 ( 0.000 1.112 0.000) 1.112 4.260 ( 0.000 1.685 0.000) 1.685 4.281 ( 0.000 3.732 0.000) 3.732 4.386 ( 0.000 -0.429 0.000) 0.429 4.454 ( 0.000 -4.514 0.000) 4.514 4.476 ( 0.000 -6.104 0.000) 6.104 4.653 ( 0.000 1.611 0.000) 1.611 4.669 ( 0.000 -0.239 0.000) 0.239 4.679 ( 0.000 1.012 0.000) 1.012 4.778 ( 0.000 -1.583 0.000) 1.583 5.387 ( 0.000 -0.115 0.000) 0.115 5.394 ( 0.000 0.972 0.000) 0.972 5.399 ( 0.000 -0.412 0.000) 0.412 5.403 ( 0.000 0.996 0.000) 0.996 5.709 ( 0.000 -1.821 0.000) 1.821 5.713 ( 0.000 -2.158 0.000) 2.158 5.717 ( 0.000 -2.137 0.000) 2.137 5.723 ( 0.000 -2.291 0.000) 2.291 5.953 ( 0.000 4.799 0.000) 4.799 5.960 ( 0.000 3.926 0.000) 3.926 5.980 ( 0.000 3.803 0.000) 3.803 5.997 ( 0.000 2.389 0.000) 2.389 6.354 ( 0.000 2.150 0.000) 2.150 6.355 ( 0.000 2.202 0.000) 2.202 6.361 ( 0.000 2.308 0.000) 2.308 6.366 ( 0.000 2.219 0.000) 2.219 6.748 ( 0.000 -1.996 0.000) 1.996 6.757 ( 0.000 -1.868 0.000) 1.868 6.777 ( 0.000 -2.224 0.000) 2.224 6.782 ( 0.000 -2.220 0.000) 2.220 7.171 ( 0.000 1.231 0.000) 1.231 7.186 ( 0.000 0.746 0.000) 0.746 7.192 ( 0.000 1.208 0.000) 1.208 7.192 ( 0.000 0.708 0.000) 0.708 7.368 ( 0.000 -2.217 0.000) 2.217 7.370 ( 0.000 -2.189 0.000) 2.189 7.373 ( 0.000 -2.004 0.000) 2.004 7.390 ( 0.000 -2.782 0.000) 2.782 7.644 ( 0.000 3.348 0.000) 3.348 7.646 ( 0.000 3.215 0.000) 3.215 7.663 ( 0.000 2.869 0.000) 2.869 7.664 ( 0.000 2.917 0.000) 2.917 7.989 ( 0.000 1.349 0.000) 1.349 8.017 ( 0.000 -0.779 0.000) 0.779 8.030 ( 0.000 -0.698 0.000) 0.698 8.043 ( 0.000 0.003 0.000) 0.003 8.302 ( 0.000 0.101 0.000) 0.101 8.338 ( 0.000 -1.192 0.000) 1.192 8.401 ( 0.000 -1.890 0.000) 1.890 8.417 ( 0.000 -2.052 0.000) 2.052 8.579 ( 0.000 -2.238 0.000) 2.238 8.602 ( 0.000 -2.469 0.000) 2.469 8.622 ( 0.000 -3.401 0.000) 3.401 8.653 ( 0.000 -3.497 0.000) 3.497 12.276 ( 0.000 -0.593 0.000) 0.593 12.282 ( 0.000 -0.619 0.000) 0.619 12.291 ( 0.000 -0.951 0.000) 0.951 12.297 ( 0.000 -1.126 0.000) 1.126 12.439 ( 0.000 -1.127 0.000) 1.127 12.440 ( 0.000 -1.192 0.000) 1.192 12.442 ( 0.000 -1.154 0.000) 1.154 12.443 ( 0.000 -1.132 0.000) 1.132 15.458 ( 0.000 -1.196 0.000) 1.196 15.476 ( 0.000 -2.258 0.000) 2.258 15.504 ( 0.000 -0.682 0.000) 0.682 15.526 ( 0.000 -2.522 0.000) 2.522 15.750 ( 0.000 2.988 0.000) 2.988 15.760 ( 0.000 2.709 0.000) 2.709 15.797 ( 0.000 4.190 0.000) 4.190 15.861 ( 0.000 2.797 0.000) 2.797 15.995 ( 0.000 2.621 0.000) 2.621 16.081 ( 0.000 2.833 0.000) 2.833 16.084 ( 0.000 1.858 0.000) 1.858 16.166 ( 0.000 0.080 0.000) 0.080 16.346 ( 0.000 -3.179 0.000) 3.179 16.350 ( 0.000 -3.311 0.000) 3.311 16.460 ( 0.000 3.947 0.000) 3.947 16.463 ( 0.000 -6.388 0.000) 6.388 16.503 ( 0.000 -8.139 0.000) 8.139 16.579 ( 0.000 0.727 0.000) 0.727 16.676 ( 0.000 0.697 0.000) 0.697 16.733 ( 0.000 0.680 0.000) 0.680 17.683 ( 0.000 -2.710 0.000) 2.710 17.790 ( 0.000 -5.759 0.000) 5.759 17.867 ( 0.000 -6.346 0.000) 6.346 17.879 ( 0.000 -5.865 0.000) 5.865======================= Grid point 11 (8/28) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 4.165 11.850 4.151) 13.229 0.700 ( 5.977 8.806 1.048) 10.694 0.774 ( -2.417 3.751 -0.962) 4.565 0.839 ( 0.991 4.682 0.235) 4.792 0.879 ( 2.108 3.548 -1.383) 4.352 0.918 ( 0.712 1.786 0.343) 1.953 0.931 ( 2.027 2.409 0.252) 3.158 0.940 ( 0.042 0.521 -0.295) 0.601 0.960 ( 0.385 0.172 -1.074) 1.154 1.005 ( 1.565 5.224 -0.875) 5.524 1.038 ( -0.950 1.077 3.569) 3.847 1.087 ( -1.875 4.960 4.161) 6.741 1.186 ( -0.223 4.552 -1.001) 4.666 1.218 ( 0.837 2.918 1.239) 3.278 1.236 ( 0.005 6.208 -5.694) 8.424 1.282 ( -1.753 6.487 -0.855) 6.774 1.296 ( 0.649 12.387 1.098) 12.452 1.345 ( -0.576 4.858 0.818) 4.960 1.368 ( 2.054 1.326 -0.272) 2.460 1.415 ( 0.403 1.278 0.483) 1.425 1.435 ( -1.271 6.391 -0.081) 6.517 1.441 ( 0.193 3.757 1.379) 4.007 1.456 ( 1.125 3.230 1.151) 3.609 1.474 ( -1.247 7.233 -0.614) 7.366 1.500 ( 1.360 2.064 0.347) 2.496 1.545 ( 1.872 6.247 -0.323) 6.529 1.557 ( 0.774 6.197 0.680) 6.282 1.559 ( -0.913 4.186 0.893) 4.376 1.605 ( 0.911 0.170 -1.109) 1.445 1.627 ( 0.862 2.861 -0.291) 3.002 1.648 ( -1.023 3.495 -2.194) 4.251 1.665 ( -0.352 2.507 -0.194) 2.539 1.723 ( -0.576 5.238 0.549) 5.298 1.750 ( -0.888 4.816 -2.972) 5.728 1.775 ( 0.491 3.974 -2.052) 4.499 1.818 ( -1.403 2.274 -2.168) 3.441 1.875 ( -1.725 3.987 -1.049) 4.469 1.887 ( -4.336 3.069 -0.273) 5.319 1.926 ( -2.418 5.765 -0.126) 6.253 1.928 ( -1.201 5.304 -1.474) 5.635 2.023 ( 0.463 4.090 4.151) 5.846 2.037 ( -0.237 0.751 0.861) 1.167 2.129 ( 0.114 -1.177 -1.638) 2.020 2.196 ( 1.945 -2.735 0.351) 3.375 2.207 ( 1.778 -0.951 -0.288) 2.037 2.227 ( 0.232 -0.423 0.099) 0.492 2.256 ( 0.377 -1.382 0.785) 1.634 2.273 ( -0.254 -2.062 -0.133) 2.081 2.496 ( -1.693 2.071 1.176) 2.922 2.531 ( -1.033 2.383 0.787) 2.714 2.589 ( -0.407 3.257 0.331) 3.299 2.597 ( -0.875 4.852 0.195) 4.935 2.641 ( 1.435 0.835 0.002) 1.661 2.693 ( 0.924 1.459 0.565) 1.817 2.722 ( 2.197 2.139 -0.447) 3.099 2.731 ( -0.085 2.510 -1.545) 2.948 2.768 ( -1.428 1.288 0.681) 2.040 2.786 ( 0.733 2.010 0.102) 2.142 2.808 ( -0.307 2.031 0.302) 2.076 2.830 ( 0.667 -0.518 0.575) 1.022 3.061 ( -0.380 -2.104 -0.141) 2.143 3.062 ( -0.051 -1.574 0.160) 1.583 3.093 ( -0.689 -0.349 -0.538) 0.942 3.126 ( -0.389 -1.256 0.381) 1.369 3.160 ( -0.205 -1.181 -0.330) 1.244 3.188 ( 1.483 -0.714 0.682) 1.781 3.222 ( 2.295 -1.631 0.591) 2.877 3.246 ( 0.638 -2.320 -0.860) 2.555 3.266 ( 0.234 1.317 0.350) 1.382 3.294 ( -0.422 -0.157 0.181) 0.485 3.313 ( -0.082 -0.686 0.120) 0.701 3.334 ( -1.040 -1.023 -0.877) 1.702 3.395 ( -1.680 0.710 -0.215) 1.837 3.426 ( -1.332 0.695 0.746) 1.677 3.441 ( 0.195 0.571 -0.812) 1.011 3.473 ( 0.213 -0.742 0.222) 0.803 3.863 ( -0.004 1.036 -0.007) 1.036 3.885 ( 0.656 1.128 0.389) 1.362 3.934 ( -0.214 1.046 0.305) 1.111 3.941 ( -1.088 0.132 -0.235) 1.121 3.976 ( -0.100 5.063 -0.105) 5.065 4.020 ( -0.812 3.778 -0.234) 3.872 4.233 ( -0.740 1.938 -0.378) 2.108 4.258 ( -0.283 1.772 0.310) 1.821 4.298 ( -0.207 3.149 0.773) 3.249 4.323 ( -1.750 2.636 -1.101) 3.350 4.460 ( 0.658 -5.074 -0.483) 5.139 4.514 ( 0.696 -7.494 1.293) 7.637 4.649 ( -0.494 1.710 0.390) 1.822 4.671 ( -0.680 0.535 0.842) 1.208 4.730 ( 4.816 -1.377 -0.021) 5.009 4.778 ( 1.251 -2.194 -2.008) 3.226 5.378 ( -0.418 0.089 -0.316) 0.531 5.388 ( -0.085 0.212 -0.208) 0.309 5.399 ( -0.139 0.649 0.308) 0.731 5.409 ( -0.177 0.561 0.147) 0.607 5.693 ( -0.679 -1.542 -0.193) 1.696 5.703 ( -0.632 -1.605 -0.038) 1.725 5.712 ( -0.661 -2.077 -0.347) 2.207 5.742 ( 0.641 -2.835 0.800) 3.014 5.959 ( 0.079 4.248 0.401) 4.268 5.962 ( 0.281 4.271 0.023) 4.280 5.974 ( -0.429 3.775 -0.176) 3.803 5.984 ( -0.489 3.533 -0.672) 3.629 6.353 ( -0.263 2.414 0.167) 2.434 6.357 ( -0.071 2.255 0.131) 2.260 6.361 ( 0.134 2.158 -0.019) 2.163 6.368 ( 0.355 2.118 -0.101) 2.150 6.753 ( 0.357 -1.982 0.105) 2.016 6.757 ( 0.137 -1.958 -0.106) 1.966 6.777 ( -0.076 -2.157 -0.157) 2.164 6.783 ( 0.242 -2.228 0.123) 2.245 7.170 ( -0.079 1.087 0.030) 1.090 7.183 ( -0.351 0.553 0.022) 0.655 7.196 ( 0.514 1.238 0.018) 1.341 7.202 ( 0.666 0.952 -0.017) 1.162 7.359 ( -0.228 -2.211 -0.318) 2.246 7.369 ( 0.070 -2.095 -0.171) 2.103 7.375 ( -0.031 -1.924 -0.186) 1.934 7.396 ( 0.380 -3.039 0.230) 3.072 7.639 ( -0.401 3.275 -0.071) 3.300 7.644 ( -0.063 3.302 0.156) 3.306 7.662 ( 0.108 2.903 -0.319) 2.922 7.679 ( 0.821 2.904 0.330) 3.036 7.987 ( -0.333 1.329 0.105) 1.374 7.999 ( -0.937 -0.626 0.084) 1.130 8.024 ( -0.698 -0.884 0.280) 1.161 8.044 ( -0.167 -0.866 -0.660) 1.101 8.304 ( 0.451 0.388 -0.329) 0.680 8.336 ( 0.225 -0.658 -0.338) 0.773 8.408 ( 0.398 -1.824 0.061) 1.868 8.415 ( 0.008 -1.754 -0.244) 1.771 8.574 ( -0.070 -2.058 -0.499) 2.118 8.599 ( 0.465 -2.588 -0.213) 2.638 8.642 ( -0.187 -3.630 0.427) 3.659 8.654 ( 0.345 -3.926 0.943) 4.052 12.279 ( 0.180 -0.564 -0.022) 0.592 12.280 ( 0.146 -0.626 -0.097) 0.650 12.295 ( 0.036 -0.977 0.096) 0.982 12.296 ( -0.019 -1.097 0.007) 1.097 12.438 ( -0.168 -1.091 0.035) 1.104 12.439 ( -0.098 -1.172 -0.003) 1.176 12.442 ( -0.022 -1.195 0.014) 1.195 12.443 ( -0.023 -1.141 0.042) 1.142 15.467 ( 0.311 -1.113 0.685) 1.343 15.478 ( -0.121 -1.595 0.172) 1.609 15.498 ( -0.100 -1.395 -0.628) 1.533 15.526 ( 0.145 -2.138 -0.008) 2.143 15.757 ( 0.537 3.272 0.390) 3.338 15.767 ( 0.151 2.525 0.540) 2.587 15.799 ( 0.348 3.786 -0.208) 3.808 15.843 ( -0.838 2.490 -0.918) 2.783 16.008 ( 0.446 2.586 0.864) 2.762 16.071 ( -0.472 2.935 -0.317) 2.989 16.086 ( -0.269 1.952 -0.020) 1.970 16.148 ( -0.955 1.385 -0.956) 1.935 16.345 ( -0.644 -3.407 0.577) 3.515 16.370 ( 1.315 -3.752 0.847) 4.065 16.436 ( -1.840 -3.157 -1.327) 3.887 16.465 ( 0.437 3.706 -0.127) 3.734 16.505 ( 0.976 -7.470 0.064) 7.534 16.578 ( 0.456 0.203 -0.721) 0.877 16.612 ( -3.105 3.147 -1.259) 4.596 16.774 ( 0.861 -2.632 1.706) 3.253 17.695 ( 1.668 -3.579 -0.968) 4.065 17.796 ( 0.248 -5.973 0.509) 6.000 17.856 ( -0.766 -5.387 0.084) 5.442 17.891 ( 1.230 -7.031 -0.675) 7.170======================= Grid point 12 (9/28) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( -0.000 3.227 0.000) 3.227 0.726 ( 0.000 8.832 0.000) 8.832 0.811 ( 0.000 6.132 0.000) 6.132 0.819 ( 0.000 3.913 0.000) 3.913 0.888 ( -0.000 3.267 0.000) 3.267 0.928 ( 0.000 0.532 0.000) 0.532 0.931 ( 0.000 1.360 0.000) 1.360 0.944 ( -0.000 -0.089 0.000) 0.089 0.975 ( 0.000 1.509 -0.000) 1.509 1.065 ( 0.000 6.627 0.000) 6.627 1.082 ( 0.000 4.934 0.000) 4.934 1.129 ( -0.000 5.145 0.000) 5.145 1.140 ( 0.000 7.184 -0.000) 7.184 1.146 ( 0.000 3.575 -0.000) 3.575 1.202 ( 0.000 2.933 0.000) 2.933 1.269 ( 0.000 5.316 0.000) 5.316 1.304 ( 0.000 6.884 -0.000) 6.884 1.355 ( 0.000 1.360 0.000) 1.360 1.387 ( 0.000 5.881 0.000) 5.881 1.405 ( 0.000 0.584 0.000) 0.584 1.406 ( -0.000 1.890 0.000) 1.890 1.458 ( -0.000 3.624 0.000) 3.624 1.496 ( 0.000 7.775 0.000) 7.775 1.505 ( 0.000 2.066 0.000) 2.066 1.535 ( 0.000 2.154 0.000) 2.154 1.546 ( 0.000 4.865 0.000) 4.865 1.565 ( -0.000 4.256 0.000) 4.256 1.578 ( 0.000 1.438 0.000) 1.438 1.580 ( 0.000 5.262 0.000) 5.262 1.623 ( 0.000 5.149 0.000) 5.149 1.646 ( 0.000 1.736 -0.000) 1.736 1.655 ( 0.000 4.416 0.000) 4.416 1.709 ( 0.000 5.531 0.000) 5.531 1.742 ( 0.000 8.200 0.000) 8.200 1.750 ( -0.000 7.870 0.000) 7.870 1.786 ( -0.000 2.182 -0.000) 2.182 1.790 ( 0.000 6.873 0.000) 6.873 1.865 ( -0.000 5.313 0.000) 5.313 1.873 ( 0.000 8.677 0.000) 8.677 1.924 ( 0.000 3.394 0.000) 3.394 2.040 ( 0.000 0.175 0.000) 0.175 2.087 ( 0.000 1.691 0.000) 1.691 2.108 ( 0.000 -1.303 0.000) 1.303 2.215 ( -0.000 -0.750 -0.000) 0.750 2.218 ( 0.000 -3.250 0.000) 3.250 2.230 ( 0.000 -0.688 0.000) 0.688 2.262 ( 0.000 -4.823 -0.000) 4.823 2.271 ( -0.000 -1.909 0.000) 1.909 2.491 ( 0.000 1.555 0.000) 1.555 2.542 ( 0.000 3.420 0.000) 3.420 2.567 ( 0.000 4.465 0.000) 4.465 2.596 ( 0.000 3.953 0.000) 3.953 2.656 ( 0.000 0.934 0.000) 0.934 2.695 ( 0.000 2.250 0.000) 2.250 2.727 ( 0.000 4.038 0.000) 4.038 2.746 ( -0.000 3.059 0.000) 3.059 2.762 ( 0.000 -1.631 0.000) 1.631 2.783 ( -0.000 2.180 0.000) 2.180 2.807 ( 0.000 2.341 0.000) 2.341 2.843 ( 0.000 -0.724 0.000) 0.724 3.061 ( 0.000 -2.246 0.000) 2.246 3.068 ( 0.000 -0.918 0.000) 0.918 3.080 ( 0.000 -0.020 0.000) 0.020 3.118 ( 0.000 -0.861 0.000) 0.861 3.158 ( 0.000 -1.370 0.000) 1.370 3.222 ( -0.000 -1.113 0.000) 1.113 3.227 ( 0.000 -0.983 0.000) 0.983 3.250 ( 0.000 -0.649 0.000) 0.649 3.273 ( 0.000 1.316 0.000) 1.316 3.305 ( -0.000 -1.380 0.000) 1.380 3.307 ( 0.000 -0.851 -0.000) 0.851 3.313 ( -0.000 -0.858 0.000) 0.858 3.373 ( 0.000 0.552 0.000) 0.552 3.422 ( 0.000 0.563 0.000) 0.563 3.434 ( 0.000 0.360 0.000) 0.360 3.476 ( 0.000 -1.064 0.000) 1.064 3.865 ( 0.000 0.594 0.000) 0.594 3.901 ( -0.000 0.623 -0.000) 0.623 3.909 ( 0.000 0.580 0.000) 0.580 3.943 ( 0.000 -0.255 0.000) 0.255 3.973 ( 0.000 4.568 0.000) 4.568 4.009 ( 0.000 4.802 0.000) 4.802 4.224 ( 0.000 2.156 0.000) 2.156 4.257 ( 0.000 1.744 0.000) 1.744 4.296 ( 0.000 3.490 0.000) 3.490 4.311 ( 0.000 3.364 0.000) 3.364 4.461 ( 0.000 -5.458 0.000) 5.458 4.528 ( 0.000 -7.665 0.000) 7.665 4.648 ( 0.000 1.575 0.000) 1.575 4.679 ( 0.000 0.937 0.000) 0.937 4.768 ( 0.000 -3.455 0.000) 3.455 4.774 ( 0.000 -1.747 0.000) 1.747 5.371 ( 0.000 0.301 0.000) 0.301 5.392 ( 0.000 -0.158 0.000) 0.158 5.395 ( 0.000 0.715 0.000) 0.715 5.406 ( 0.000 0.746 0.000) 0.746 5.686 ( 0.000 -1.456 0.000) 1.456 5.698 ( 0.000 -1.571 0.000) 1.571 5.700 ( 0.000 -1.729 0.000) 1.729 5.754 ( 0.000 -2.981 0.000) 2.981 5.961 ( 0.000 3.811 0.000) 3.811 5.963 ( 0.000 3.946 0.000) 3.946 5.973 ( 0.000 4.511 -0.000) 4.511 5.973 ( 0.000 4.130 0.000) 4.130 6.352 ( 0.000 2.476 0.000) 2.476 6.357 ( 0.000 2.375 0.000) 2.375 6.362 ( 0.000 2.107 0.000) 2.107 6.372 ( 0.000 2.018 0.000) 2.018 6.757 ( 0.000 -1.877 0.000) 1.877 6.758 ( 0.000 -2.078 0.000) 2.078 6.774 ( 0.000 -2.224 0.000) 2.224 6.787 ( 0.000 -2.186 0.000) 2.186 7.171 ( 0.000 1.046 0.000) 1.046 7.178 ( 0.000 0.514 0.000) 0.514 7.201 ( 0.000 1.399 0.000) 1.399 7.208 ( 0.000 0.931 0.000) 0.931 7.355 ( 0.000 -2.240 0.000) 2.240 7.369 ( -0.000 -1.970 0.000) 1.970 7.371 ( 0.000 -1.989 -0.000) 1.989 7.401 ( 0.000 -3.153 0.000) 3.153 7.635 ( 0.000 3.211 0.000) 3.211 7.646 ( 0.000 3.373 0.000) 3.373 7.660 ( 0.000 2.925 0.000) 2.925 7.688 ( 0.000 3.046 0.000) 3.046 7.984 ( 0.000 1.295 0.000) 1.295 7.997 ( 0.000 -1.725 0.000) 1.725 8.021 ( 0.000 0.562 0.000) 0.562 8.029 ( 0.000 -2.146 0.000) 2.146 8.305 ( 0.000 0.564 0.000) 0.564 8.336 ( 0.000 -0.097 0.000) 0.097 8.408 ( 0.000 -1.641 0.000) 1.641 8.416 ( 0.000 -1.571 0.000) 1.571 8.569 ( 0.000 -1.898 0.000) 1.898 8.604 ( 0.000 -2.637 0.000) 2.637 8.638 ( 0.000 -3.700 0.000) 3.700 8.669 ( 0.000 -4.306 0.000) 4.306 12.279 ( 0.000 -0.470 0.000) 0.470 12.284 ( 0.000 -0.739 0.000) 0.739 12.293 ( 0.000 -0.942 0.000) 0.942 12.298 ( 0.000 -1.097 0.000) 1.097 12.436 ( 0.000 -1.063 0.000) 1.063 12.439 ( 0.000 -1.174 0.000) 1.174 12.440 ( 0.000 -1.181 0.000) 1.181 12.443 ( 0.000 -1.162 0.000) 1.162 15.475 ( 0.000 -1.360 0.000) 1.360 15.480 ( 0.000 -0.956 -0.000) 0.956 15.489 ( 0.000 -1.308 0.000) 1.308 15.529 ( 0.000 -2.223 0.000) 2.223 15.770 ( 0.000 3.642 -0.000) 3.642 15.772 ( -0.000 2.692 0.000) 2.692 15.799 ( 0.000 3.764 0.000) 3.764 15.828 ( 0.000 1.299 0.000) 1.299 16.019 ( 0.000 2.820 0.000) 2.820 16.062 ( 0.000 3.507 0.000) 3.507 16.080 ( -0.000 1.675 0.000) 1.675 16.132 ( 0.000 2.656 0.000) 2.656 16.344 ( 0.000 -3.756 0.000) 3.756 16.389 ( 0.000 -4.557 0.000) 4.557 16.413 ( 0.000 -1.907 0.000) 1.907 16.468 ( -0.000 4.067 0.000) 4.067 16.510 ( 0.000 -4.184 0.000) 4.184 16.576 ( 0.000 3.112 0.000) 3.112 16.580 ( 0.000 -2.430 0.000) 2.430 16.793 ( 0.000 -3.612 0.000) 3.612 17.702 ( 0.000 -3.941 0.000) 3.941 17.804 ( 0.000 -6.230 0.000) 6.230 17.850 ( 0.000 -5.052 0.000) 5.052 17.896 ( 0.000 -7.589 0.000) 7.589======================= Grid point 15 (10/28) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( 0.000 5.835 0.000) 5.835 0.826 ( 0.000 -0.210 0.000) 0.210 0.849 ( 0.000 7.590 0.000) 7.590 0.909 ( 0.000 -0.292 0.000) 0.292 0.909 ( 0.000 0.952 0.000) 0.952 0.925 ( 0.000 -0.865 0.000) 0.865 0.936 ( 0.000 4.149 0.000) 4.149 0.959 ( 0.000 0.609 0.000) 0.609 0.977 ( 0.000 0.594 0.000) 0.594 1.074 ( 0.000 7.683 0.000) 7.683 1.101 ( 0.000 -6.691 0.000) 6.691 1.154 ( 0.000 6.467 0.000) 6.467 1.207 ( 0.000 -2.322 0.000) 2.322 1.244 ( 0.000 -3.912 0.000) 3.912 1.287 ( 0.000 6.721 0.000) 6.721 1.326 ( 0.000 3.246 0.000) 3.246 1.387 ( 0.000 -2.472 0.000) 2.472 1.400 ( 0.000 -0.644 0.000) 0.644 1.451 ( 0.000 2.660 0.000) 2.660 1.475 ( 0.000 2.138 0.000) 2.138 1.475 ( 0.000 1.381 0.000) 1.381 1.517 ( 0.000 2.006 0.000) 2.006 1.532 ( 0.000 0.176 0.000) 0.176 1.550 ( 0.000 -1.290 0.000) 1.290 1.592 ( 0.000 3.269 0.000) 3.269 1.617 ( 0.000 4.082 0.000) 4.082 1.622 ( 0.000 -0.922 0.000) 0.922 1.636 ( 0.000 3.308 0.000) 3.308 1.663 ( 0.000 3.721 0.000) 3.721 1.711 ( 0.000 -1.721 0.000) 1.721 1.712 ( 0.000 1.744 0.000) 1.744 1.729 ( 0.000 3.079 0.000) 3.079 1.767 ( 0.000 5.306 0.000) 5.306 1.774 ( 0.000 1.293 0.000) 1.293 1.833 ( 0.000 1.001 0.000) 1.001 1.857 ( 0.000 -5.093 0.000) 5.093 1.930 ( 0.000 0.214 0.000) 0.214 1.947 ( 0.000 0.576 0.000) 0.576 1.980 ( 0.000 6.861 0.000) 6.861 2.030 ( 0.000 2.711 0.000) 2.711 2.065 ( 0.000 -0.124 0.000) 0.124 2.107 ( 0.000 -2.530 0.000) 2.530 2.120 ( 0.000 0.572 0.000) 0.572 2.156 ( 0.000 -3.919 0.000) 3.919 2.196 ( 0.000 3.341 0.000) 3.341 2.221 ( 0.000 1.355 0.000) 1.355 2.287 ( 0.000 3.160 0.000) 3.160 2.299 ( 0.000 1.824 0.000) 1.824 2.545 ( 0.000 1.344 0.000) 1.344 2.575 ( 0.000 1.105 0.000) 1.105 2.595 ( 0.000 -0.986 0.000) 0.986 2.616 ( 0.000 -1.076 0.000) 1.076 2.691 ( 0.000 2.604 0.000) 2.604 2.697 ( 0.000 2.260 0.000) 2.260 2.781 ( 0.000 2.110 0.000) 2.110 2.798 ( 0.000 4.127 0.000) 4.127 2.811 ( 0.000 0.975 0.000) 0.975 2.823 ( 0.000 2.158 0.000) 2.158 2.836 ( 0.000 0.169 0.000) 0.169 2.846 ( 0.000 0.550 0.000) 0.550 3.018 ( 0.000 -1.331 0.000) 1.331 3.034 ( 0.000 -0.995 0.000) 0.995 3.053 ( 0.000 -2.591 0.000) 2.591 3.055 ( 0.000 -4.150 0.000) 4.150 3.161 ( 0.000 0.584 0.000) 0.584 3.173 ( 0.000 -0.440 0.000) 0.440 3.178 ( 0.000 1.088 0.000) 1.088 3.204 ( 0.000 -1.247 0.000) 1.247 3.271 ( 0.000 0.013 0.000) 0.013 3.273 ( 0.000 -0.620 0.000) 0.620 3.291 ( 0.000 -1.283 0.000) 1.283 3.307 ( 0.000 -2.152 0.000) 2.152 3.451 ( 0.000 1.605 0.000) 1.605 3.462 ( 0.000 0.532 0.000) 0.532 3.473 ( 0.000 1.220 0.000) 1.220 3.474 ( 0.000 0.791 0.000) 0.791 3.900 ( 0.000 1.952 0.000) 1.952 3.921 ( 0.000 2.218 0.000) 2.218 3.932 ( 0.000 -0.712 0.000) 0.712 3.955 ( 0.000 -0.893 0.000) 0.893 4.102 ( 0.000 6.275 0.000) 6.275 4.111 ( 0.000 4.865 0.000) 4.865 4.213 ( 0.000 -4.442 0.000) 4.442 4.234 ( 0.000 -5.081 0.000) 5.081 4.340 ( 0.000 1.943 0.000) 1.943 4.372 ( 0.000 -2.019 0.000) 2.019 4.383 ( 0.000 0.089 0.000) 0.089 4.393 ( 0.000 -1.280 0.000) 1.280 4.679 ( 0.000 0.617 0.000) 0.617 4.679 ( 0.000 0.652 0.000) 0.652 4.713 ( 0.000 1.775 0.000) 1.775 4.746 ( 0.000 -1.489 0.000) 1.489 5.391 ( 0.000 0.528 0.000) 0.528 5.400 ( 0.000 0.431 0.000) 0.431 5.402 ( 0.000 -0.219 0.000) 0.219 5.410 ( 0.000 -0.268 0.000) 0.268 5.677 ( 0.000 -0.911 0.000) 0.911 5.678 ( 0.000 -0.969 0.000) 0.969 5.686 ( 0.000 -0.806 0.000) 0.806 5.687 ( 0.000 -0.990 0.000) 0.990 6.027 ( 0.000 1.993 0.000) 1.993 6.028 ( 0.000 2.034 0.000) 2.034 6.039 ( 0.000 1.345 0.000) 1.345 6.040 ( 0.000 1.564 0.000) 1.564 6.388 ( 0.000 0.981 0.000) 0.981 6.390 ( 0.000 0.906 0.000) 0.906 6.398 ( 0.000 1.022 0.000) 1.022 6.399 ( 0.000 0.870 0.000) 0.870 6.722 ( 0.000 -0.277 0.000) 0.277 6.728 ( 0.000 -0.626 0.000) 0.626 6.736 ( 0.000 -1.386 0.000) 1.386 6.739 ( 0.000 -1.671 0.000) 1.671 7.190 ( 0.000 0.527 0.000) 0.527 7.194 ( 0.000 0.078 0.000) 0.078 7.205 ( 0.000 0.442 0.000) 0.442 7.207 ( 0.000 0.302 0.000) 0.302 7.333 ( 0.000 -0.945 0.000) 0.945 7.336 ( 0.000 -1.235 0.000) 1.235 7.341 ( 0.000 -0.528 0.000) 0.528 7.348 ( 0.000 -1.137 0.000) 1.137 7.699 ( 0.000 1.683 0.000) 1.683 7.700 ( 0.000 1.648 0.000) 1.648 7.706 ( 0.000 1.038 0.000) 1.038 7.707 ( 0.000 0.956 0.000) 0.956 8.007 ( 0.000 0.364 0.000) 0.364 8.009 ( 0.000 -0.076 0.000) 0.076 8.025 ( 0.000 0.260 0.000) 0.260 8.036 ( 0.000 -0.615 0.000) 0.615 8.319 ( 0.000 1.669 0.000) 1.669 8.333 ( 0.000 0.718 0.000) 0.718 8.361 ( 0.000 -1.859 0.000) 1.859 8.367 ( 0.000 -2.575 0.000) 2.575 8.555 ( 0.000 -0.018 0.000) 0.018 8.564 ( 0.000 -0.883 0.000) 0.883 8.567 ( 0.000 -1.573 0.000) 1.573 8.586 ( 0.000 -2.617 0.000) 2.617 12.270 ( 0.000 0.026 0.000) 0.026 12.273 ( 0.000 -0.171 0.000) 0.171 12.276 ( 0.000 -0.448 0.000) 0.448 12.278 ( 0.000 -0.699 0.000) 0.699 12.422 ( 0.000 -0.429 0.000) 0.429 12.422 ( 0.000 -0.461 0.000) 0.461 12.423 ( 0.000 -0.545 0.000) 0.545 12.423 ( 0.000 -0.588 0.000) 0.588 15.427 ( 0.000 -1.115 0.000) 1.115 15.430 ( 0.000 -1.470 0.000) 1.470 15.477 ( 0.000 -1.111 0.000) 1.111 15.479 ( 0.000 -1.418 0.000) 1.418 15.801 ( 0.000 1.418 0.000) 1.418 15.803 ( 0.000 1.110 0.000) 1.110 15.873 ( 0.000 2.689 0.000) 2.689 15.898 ( 0.000 0.374 0.000) 0.374 16.057 ( 0.000 3.056 0.000) 3.056 16.099 ( 0.000 -0.432 0.000) 0.432 16.134 ( 0.000 1.929 0.000) 1.929 16.160 ( 0.000 -1.035 0.000) 1.035 16.285 ( 0.000 -0.719 0.000) 0.719 16.289 ( 0.000 -1.417 0.000) 1.417 16.348 ( 0.000 -4.010 0.000) 4.010 16.353 ( 0.000 -5.098 0.000) 5.098 16.559 ( 0.000 3.598 0.000) 3.598 16.595 ( 0.000 -0.016 0.000) 0.016 16.708 ( 0.000 1.906 0.000) 1.906 16.736 ( 0.000 -0.566 0.000) 0.566 17.650 ( 0.000 -0.087 0.000) 0.087 17.687 ( 0.000 -3.622 0.000) 3.622 17.775 ( 0.000 -2.152 0.000) 2.152 17.783 ( 0.000 -2.841 0.000) 2.841======================= Grid point 16 (11/28) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( -1.223 2.880 -1.185) 3.346 0.803 ( 1.117 1.798 0.143) 2.122 0.884 ( 1.914 3.756 -0.731) 4.279 0.898 ( 0.368 0.962 -0.916) 1.378 0.913 ( 0.867 -0.081 -0.555) 1.032 0.918 ( 0.452 0.399 -0.743) 0.957 0.945 ( -0.525 0.762 0.379) 1.000 0.958 ( -0.520 0.295 0.116) 0.609 1.032 ( 3.180 4.495 4.534) 7.132 1.090 ( 0.084 4.700 2.840) 5.492 1.124 ( -1.440 3.447 0.486) 3.767 1.169 ( 2.777 2.806 -0.196) 3.952 1.203 ( 0.688 -1.119 1.273) 1.829 1.249 ( -0.187 -2.015 -0.188) 2.032 1.263 ( -0.031 -1.690 1.113) 2.024 1.301 ( -1.468 -1.718 -2.704) 3.524 1.363 ( -0.526 1.907 0.017) 1.979 1.398 ( -1.558 -1.330 -0.001) 2.049 1.435 ( -0.229 4.792 -1.078) 4.917 1.480 ( -0.130 2.850 -0.640) 2.923 1.498 ( -0.301 1.869 0.905) 2.098 1.506 ( -1.060 1.842 0.709) 2.241 1.536 ( -0.743 2.689 1.162) 3.022 1.551 ( -2.134 -0.585 0.178) 2.220 1.570 ( -1.676 1.957 -1.575) 3.020 1.587 ( 0.144 0.762 -0.765) 1.089 1.615 ( -0.288 2.528 -1.673) 3.045 1.643 ( -0.239 2.786 0.945) 2.952 1.659 ( 2.015 -0.127 -1.287) 2.394 1.672 ( 0.593 0.075 -2.485) 2.556 1.706 ( 1.402 2.611 -1.186) 3.192 1.763 ( 2.250 1.533 0.749) 2.823 1.785 ( 1.660 4.309 -1.205) 4.772 1.811 ( 1.405 2.324 1.767) 3.240 1.824 ( -0.535 1.024 0.993) 1.523 1.888 ( -0.490 -1.960 0.863) 2.197 1.912 ( -0.259 0.217 0.587) 0.678 1.948 ( -0.474 0.731 0.002) 0.871 1.975 ( -0.940 4.941 -0.731) 5.082 2.026 ( 0.006 2.784 0.399) 2.812 2.073 ( -0.208 1.786 1.262) 2.196 2.102 ( -0.424 0.689 -0.362) 0.886 2.139 ( 1.293 -2.763 0.474) 3.087 2.164 ( -0.169 2.686 -0.974) 2.862 2.179 ( -0.070 -1.895 0.015) 1.896 2.217 ( -0.635 -0.003 -0.508) 0.813 2.248 ( -1.621 2.277 -1.836) 3.344 2.266 ( -1.415 0.641 -1.902) 2.456 2.537 ( -1.135 2.467 1.040) 2.908 2.582 ( -0.412 0.522 0.349) 0.751 2.609 ( 1.249 -0.026 1.702) 2.112 2.648 ( 1.984 -1.923 0.928) 2.915 2.698 ( 0.008 3.661 0.338) 3.676 2.702 ( -0.329 2.957 0.780) 3.075 2.770 ( -0.801 1.091 -0.846) 1.596 2.779 ( -0.362 1.164 -1.084) 1.631 2.804 ( -0.182 2.212 -0.301) 2.239 2.829 ( 0.374 0.698 -0.027) 0.792 2.848 ( 0.761 2.077 -0.068) 2.213 2.861 ( 1.267 1.124 0.043) 1.694 3.026 ( 0.924 -0.646 0.154) 1.138 3.030 ( 0.391 -0.643 -0.384) 0.845 3.060 ( 0.433 -2.954 0.052) 2.986 3.066 ( 0.729 -3.059 0.239) 3.154 3.161 ( -0.615 0.898 -0.985) 1.468 3.184 ( 1.331 0.035 0.204) 1.347 3.189 ( 0.334 -0.965 0.502) 1.138 3.204 ( 1.454 -1.314 0.024) 1.960 3.273 ( 0.310 0.007 0.273) 0.413 3.282 ( 0.107 -0.298 0.400) 0.510 3.287 ( -0.309 -1.074 -0.019) 1.118 3.304 ( -0.386 -1.696 -0.231) 1.755 3.438 ( -1.380 2.053 0.110) 2.476 3.452 ( -1.304 0.873 0.336) 1.604 3.465 ( -0.254 1.015 -0.522) 1.170 3.470 ( -0.385 0.226 -0.055) 0.450 3.891 ( -0.872 1.457 -0.137) 1.704 3.906 ( -0.386 0.593 -0.508) 0.871 3.932 ( -1.783 -0.480 0.598) 1.941 3.939 ( -1.114 -0.473 0.218) 1.230 4.095 ( -0.534 6.331 -0.236) 6.358 4.111 ( -0.228 4.930 0.332) 4.946 4.213 ( -0.214 -4.009 0.160) 4.018 4.227 ( -0.511 -5.279 -0.131) 5.305 4.350 ( 0.582 1.754 0.195) 1.858 4.362 ( 0.560 0.957 -0.444) 1.195 4.386 ( 0.271 -0.730 -0.041) 0.780 4.409 ( 0.630 -2.399 0.287) 2.496 4.683 ( 0.014 1.357 0.366) 1.406 4.694 ( -0.006 0.860 0.284) 0.905 4.715 ( 1.311 0.036 0.261) 1.337 4.739 ( -0.044 -1.671 -1.017) 1.957 5.385 ( -0.195 0.552 -0.226) 0.628 5.393 ( 0.046 0.076 -0.274) 0.288 5.406 ( -0.342 0.147 0.270) 0.459 5.413 ( -0.183 -0.243 0.188) 0.357 5.670 ( -0.382 -0.466 -0.185) 0.631 5.676 ( -0.248 -0.948 -0.339) 1.037 5.681 ( -0.404 -0.518 0.180) 0.681 5.693 ( 0.257 -1.618 0.465) 1.703 6.026 ( -0.025 1.932 0.016) 1.932 6.029 ( -0.052 1.693 -0.144) 1.700 6.038 ( 0.096 1.950 0.080) 1.954 6.042 ( 0.109 1.600 -0.069) 1.605 6.391 ( -0.059 1.043 0.216) 1.067 6.392 ( 0.049 0.932 0.305) 0.982 6.397 ( 0.077 1.036 -0.235) 1.065 6.399 ( 0.164 0.768 -0.164) 0.802 6.725 ( 0.247 -0.442 0.051) 0.509 6.729 ( 0.154 -0.506 -0.024) 0.529 6.737 ( 0.013 -1.432 -0.124) 1.437 6.741 ( 0.271 -1.526 0.106) 1.554 7.185 ( -0.292 0.411 0.021) 0.504 7.189 ( -0.368 0.050 -0.021) 0.372 7.214 ( 0.612 0.486 0.121) 0.791 7.216 ( 0.630 0.346 0.029) 0.719 7.327 ( -0.140 -0.606 -0.252) 0.671 7.338 ( 0.079 -1.144 -0.010) 1.147 7.343 ( 0.170 -1.114 0.023) 1.127 7.345 ( -0.175 -1.070 -0.150) 1.095 7.695 ( -0.299 1.756 -0.166) 1.789 7.702 ( 0.153 1.830 0.135) 1.842 7.704 ( 0.023 1.054 -0.201) 1.073 7.717 ( 0.604 0.604 0.294) 0.903 7.995 ( -1.189 0.286 0.109) 1.228 8.001 ( -0.713 0.015 0.127) 0.724 8.015 ( -0.919 0.179 0.026) 0.937 8.028 ( -0.775 -0.849 -0.230) 1.172 8.326 ( 0.654 1.754 -0.129) 1.876 8.338 ( 0.682 0.918 -0.042) 1.144 8.368 ( 0.479 -1.917 -0.069) 1.977 8.372 ( 0.584 -2.244 0.048) 2.320 8.552 ( -0.029 0.070 -0.311) 0.321 8.563 ( 0.369 -0.639 -0.053) 0.739 8.578 ( -0.084 -2.193 0.146) 2.200 8.584 ( 0.147 -2.500 0.287) 2.521 12.271 ( 0.162 -0.086 -0.024) 0.185 12.273 ( 0.096 -0.076 -0.089) 0.152 12.277 ( -0.032 -0.612 -0.008) 0.613 12.278 ( 0.075 -0.562 0.088) 0.574 12.421 ( -0.093 -0.436 0.010) 0.446 12.422 ( -0.058 -0.476 -0.013) 0.480 12.423 ( -0.050 -0.500 0.065) 0.507 12.424 ( -0.059 -0.570 0.059) 0.576 15.436 ( 0.333 -1.098 0.643) 1.315 15.439 ( 0.452 -1.391 0.476) 1.538 15.467 ( -0.318 -0.853 -0.554) 1.065 15.477 ( -0.090 -1.810 -0.281) 1.833 15.810 ( 0.422 1.331 0.549) 1.500 15.811 ( 0.237 1.252 0.763) 1.486 15.865 ( -0.340 2.177 -0.576) 2.278 15.882 ( -0.975 0.649 -0.828) 1.434 16.067 ( 0.774 2.877 0.348) 3.000 16.101 ( 0.212 0.059 -0.003) 0.220 16.132 ( 0.085 2.139 -0.463) 2.190 16.160 ( 0.280 -0.616 -0.298) 0.740 16.281 ( -0.867 -1.532 0.078) 1.761 16.294 ( 0.186 -1.739 0.283) 1.771 16.333 ( -0.595 -3.574 -0.694) 3.689 16.363 ( 1.071 -5.071 0.241) 5.189 16.562 ( 0.042 3.403 0.244) 3.412 16.594 ( -0.152 0.122 -0.081) 0.211 16.692 ( -0.895 3.362 -0.519) 3.518 16.740 ( -0.195 -1.447 0.573) 1.569 17.653 ( 0.366 -0.210 -0.169) 0.454 17.691 ( 0.127 -3.751 0.202) 3.759 17.773 ( -0.182 -2.045 -0.007) 2.053 17.783 ( 0.129 -3.014 -0.291) 3.031======================= Grid point 17 (12/28) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( 0.000 3.057 0.000) 3.057 0.807 ( 0.000 -0.076 0.000) 0.076 0.885 ( 0.000 2.249 0.000) 2.249 0.900 ( 0.000 0.022 0.000) 0.022 0.919 ( -0.000 2.173 0.000) 2.173 0.920 ( 0.000 -0.460 -0.000) 0.460 0.943 ( 0.000 -0.102 0.000) 0.102 0.952 ( 0.000 0.161 0.000) 0.161 1.062 ( 0.000 4.639 0.000) 4.639 1.126 ( 0.000 -2.185 0.000) 2.185 1.173 ( 0.000 4.849 -0.000) 4.849 1.195 ( -0.000 4.867 -0.000) 4.867 1.215 ( 0.000 0.702 0.000) 0.702 1.243 ( 0.000 4.629 -0.000) 4.629 1.255 ( 0.000 0.078 0.000) 0.078 1.324 ( 0.000 -1.635 0.000) 1.635 1.357 ( -0.000 0.720 -0.000) 0.720 1.371 ( 0.000 -0.134 0.000) 0.134 1.425 ( -0.000 1.351 -0.000) 1.351 1.439 ( 0.000 3.038 0.000) 3.038 1.486 ( 0.000 -0.476 0.000) 0.476 1.511 ( 0.000 1.553 0.000) 1.553 1.519 ( 0.000 0.662 0.000) 0.662 1.528 ( 0.000 -2.727 0.000) 2.727 1.534 ( -0.000 1.271 -0.000) 1.271 1.566 ( 0.000 -0.808 0.000) 0.808 1.626 ( 0.000 2.800 0.000) 2.800 1.657 ( 0.000 1.888 0.000) 1.888 1.660 ( 0.000 4.242 -0.000) 4.242 1.675 ( -0.000 1.945 0.000) 1.945 1.719 ( 0.000 4.401 0.000) 4.401 1.775 ( 0.000 3.802 0.000) 3.802 1.812 ( -0.000 1.868 0.000) 1.868 1.843 ( -0.000 2.178 0.000) 2.178 1.846 ( 0.000 0.900 -0.000) 0.900 1.854 ( 0.000 -2.688 0.000) 2.688 1.923 ( -0.000 2.693 0.000) 2.693 1.938 ( 0.000 0.136 0.000) 0.136 1.957 ( 0.000 5.306 -0.000) 5.306 2.029 ( 0.000 2.217 0.000) 2.217 2.079 ( 0.000 4.469 0.000) 4.469 2.097 ( -0.000 1.226 0.000) 1.226 2.139 ( 0.000 -1.473 0.000) 1.473 2.161 ( 0.000 1.005 0.000) 1.005 2.175 ( 0.000 -2.924 0.000) 2.924 2.198 ( 0.000 0.101 0.000) 0.101 2.231 ( 0.000 0.496 -0.000) 0.496 2.237 ( 0.000 -0.994 0.000) 0.994 2.536 ( 0.000 2.955 0.000) 2.955 2.587 ( 0.000 -0.666 0.000) 0.666 2.640 ( 0.000 2.196 0.000) 2.196 2.676 ( -0.000 -1.500 0.000) 1.500 2.700 ( -0.000 4.313 0.000) 4.313 2.700 ( 0.000 2.976 -0.000) 2.976 2.747 ( 0.000 -0.142 0.000) 0.142 2.770 ( 0.000 -0.673 0.000) 0.673 2.800 ( 0.000 3.028 0.000) 3.028 2.834 ( 0.000 0.460 0.000) 0.460 2.851 ( 0.000 2.342 0.000) 2.342 2.872 ( 0.000 1.025 0.000) 1.025 3.032 ( 0.000 0.068 0.000) 0.068 3.047 ( 0.000 -0.493 0.000) 0.493 3.065 ( 0.000 -1.721 0.000) 1.721 3.074 ( 0.000 -2.966 0.000) 2.966 3.145 ( 0.000 0.515 0.000) 0.515 3.175 ( 0.000 -2.184 0.000) 2.184 3.215 ( 0.000 0.040 0.000) 0.040 3.227 ( 0.000 -1.038 0.000) 1.038 3.282 ( -0.000 -0.664 0.000) 0.664 3.284 ( 0.000 -0.587 -0.000) 0.587 3.285 ( -0.000 -0.299 0.000) 0.299 3.292 ( 0.000 -0.883 0.000) 0.883 3.423 ( 0.000 2.579 0.000) 2.579 3.443 ( 0.000 0.769 -0.000) 0.769 3.455 ( 0.000 1.072 0.000) 1.072 3.467 ( 0.000 -0.235 0.000) 0.235 3.880 ( 0.000 0.890 0.000) 0.890 3.901 ( 0.000 -0.995 0.000) 0.995 3.912 ( 0.000 0.721 -0.000) 0.721 3.932 ( 0.000 -0.838 0.000) 0.838 4.088 ( 0.000 6.268 0.000) 6.268 4.111 ( 0.000 5.152 0.000) 5.152 4.211 ( 0.000 -3.855 0.000) 3.855 4.221 ( 0.000 -5.329 0.000) 5.329 4.357 ( 0.000 2.148 0.000) 2.148 4.371 ( 0.000 2.386 0.000) 2.386 4.386 ( 0.000 -1.350 0.000) 1.350 4.416 ( 0.000 -2.787 0.000) 2.787 4.681 ( 0.000 1.482 0.000) 1.482 4.708 ( -0.000 1.611 -0.000) 1.611 4.714 ( 0.000 -1.915 0.000) 1.915 4.740 ( 0.000 -1.530 0.000) 1.530 5.382 ( -0.000 0.717 0.000) 0.717 5.397 ( 0.000 -0.482 0.000) 0.482 5.398 ( 0.000 0.673 0.000) 0.673 5.411 ( 0.000 -0.322 0.000) 0.322 5.664 ( 0.000 -0.454 0.000) 0.454 5.670 ( 0.000 -0.991 0.000) 0.991 5.680 ( 0.000 -0.077 0.000) 0.077 5.699 ( 0.000 -1.909 0.000) 1.909 6.025 ( 0.000 1.896 0.000) 1.896 6.027 ( 0.000 1.744 0.000) 1.744 6.041 ( 0.000 1.926 0.000) 1.926 6.042 ( 0.000 1.821 0.000) 1.821 6.392 ( 0.000 1.168 0.000) 1.168 6.394 ( 0.000 0.983 0.000) 0.983 6.396 ( 0.000 1.002 0.000) 1.002 6.400 ( 0.000 0.624 0.000) 0.624 6.728 ( 0.000 -0.615 0.000) 0.615 6.731 ( 0.000 -0.389 0.000) 0.389 6.736 ( 0.000 -1.263 0.000) 1.263 6.744 ( 0.000 -1.604 0.000) 1.604 7.184 ( 0.000 0.253 0.000) 0.253 7.185 ( -0.000 0.129 0.000) 0.129 7.221 ( 0.000 0.522 0.000) 0.522 7.222 ( 0.000 0.364 -0.000) 0.364 7.324 ( 0.000 -0.472 0.000) 0.472 7.339 ( -0.000 -1.345 0.000) 1.345 7.341 ( 0.000 -0.658 0.000) 0.658 7.345 ( 0.000 -1.555 0.000) 1.555 7.690 ( 0.000 1.835 0.000) 1.835 7.702 ( 0.000 0.825 0.000) 0.825 7.706 ( 0.000 2.146 0.000) 2.146 7.726 ( 0.000 0.402 0.000) 0.402 7.985 ( 0.000 0.337 0.000) 0.337 7.995 ( -0.000 -0.205 0.000) 0.205 8.007 ( 0.000 -0.105 -0.000) 0.105 8.016 ( 0.000 -0.699 0.000) 0.699 8.331 ( 0.000 1.774 0.000) 1.774 8.346 ( 0.000 1.090 0.000) 1.090 8.370 ( 0.000 -1.903 0.000) 1.903 8.379 ( 0.000 -1.889 0.000) 1.889 8.549 ( 0.000 0.067 0.000) 0.067 8.568 ( 0.000 -0.530 0.000) 0.530 8.573 ( -0.000 -2.249 0.000) 2.249 8.591 ( 0.000 -2.732 0.000) 2.732 12.273 ( 0.000 -0.147 0.000) 0.147 12.274 ( 0.000 -0.087 0.000) 0.087 12.276 ( -0.000 -0.529 0.000) 0.529 12.280 ( 0.000 -0.615 0.000) 0.615 12.420 ( 0.000 -0.396 0.000) 0.396 12.421 ( 0.000 -0.550 0.000) 0.550 12.422 ( -0.000 -0.398 0.000) 0.398 12.424 ( 0.000 -0.597 0.000) 0.597 15.444 ( 0.000 -0.977 0.000) 0.977 15.450 ( 0.000 -1.558 0.000) 1.558 15.458 ( 0.000 -0.534 0.000) 0.534 15.474 ( -0.000 -2.096 0.000) 2.096 15.820 ( 0.000 1.438 0.000) 1.438 15.823 ( 0.000 1.212 0.000) 1.212 15.856 ( -0.000 1.552 0.000) 1.552 15.861 ( 0.000 1.047 0.000) 1.047 16.080 ( 0.000 2.661 0.000) 2.661 16.103 ( -0.000 0.513 0.000) 0.513 16.127 ( 0.000 2.541 0.000) 2.541 16.161 ( 0.000 -0.317 0.000) 0.317 16.273 ( 0.000 -2.027 0.000) 2.027 16.291 ( 0.000 -3.251 0.000) 3.251 16.329 ( 0.000 -1.972 0.000) 1.972 16.377 ( 0.000 -5.456 0.000) 5.456 16.564 ( 0.000 3.163 0.000) 3.163 16.591 ( 0.000 0.393 0.000) 0.393 16.680 ( 0.000 4.421 0.000) 4.421 16.743 ( 0.000 -2.044 0.000) 2.044 17.655 ( 0.000 -0.285 0.000) 0.285 17.694 ( 0.000 -3.885 0.000) 3.885 17.771 ( 0.000 -2.016 -0.000) 2.016 17.781 ( 0.000 -3.112 0.000) 3.112======================= Grid point 35 (13/28) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.251 ( -6.715 0.000 11.136) 13.004 0.262 ( -2.506 0.000 11.286) 11.560 0.476 ( 2.845 0.000 -7.609) 8.124 0.489 ( 0.881 0.000 -5.315) 5.388 0.515 ( -3.902 0.000 17.441) 17.872 0.762 ( -2.855 0.000 0.170) 2.860 0.775 ( -0.313 0.000 0.339) 0.461 0.795 ( 1.869 0.000 0.722) 2.003 0.800 ( 1.446 0.000 -0.600) 1.566 0.837 ( 6.792 0.000 -6.268) 9.242 0.918 ( -1.273 0.000 1.691) 2.117 0.955 ( -2.120 0.000 -0.474) 2.172 0.970 ( -0.959 0.000 -2.265) 2.460 0.982 ( 5.171 0.000 -1.725) 5.451 1.078 ( -1.545 0.000 1.293) 2.015 1.080 ( -2.864 0.000 2.552) 3.836 1.112 ( 0.333 0.000 0.348) 0.482 1.117 ( 2.676 0.000 4.008) 4.820 1.127 ( 2.519 0.000 -1.290) 2.830 1.177 ( -1.337 0.000 0.688) 1.504 1.241 ( 1.067 0.000 3.618) 3.772 1.244 ( -1.156 0.000 2.941) 3.160 1.284 ( 0.053 0.000 0.738) 0.740 1.348 ( 0.874 0.000 -3.652) 3.756 1.433 ( -1.805 0.000 -2.706) 3.253 1.442 ( 0.117 0.000 -1.902) 1.905 1.485 ( -1.677 0.000 1.623) 2.334 1.499 ( -0.521 0.000 -0.720) 0.889 1.507 ( 0.950 0.000 -1.255) 1.574 1.515 ( -0.382 0.000 -1.790) 1.830 1.563 ( 0.520 0.000 -8.134) 8.151 1.595 ( 1.810 0.000 -5.846) 6.120 1.657 ( -0.347 0.000 1.115) 1.167 1.663 ( -0.583 0.000 2.569) 2.634 1.715 ( -1.878 0.000 -3.918) 4.345 1.726 ( 0.866 0.000 -1.571) 1.794 1.756 ( -0.428 0.000 1.665) 1.719 1.809 ( -0.285 0.000 -2.761) 2.776 1.924 ( 8.869 0.000 2.149) 9.126 1.956 ( -5.010 0.000 0.497) 5.035 1.993 ( -7.229 0.000 2.998) 7.826 2.031 ( 4.213 0.000 -0.118) 4.214 2.094 ( 0.266 0.000 1.264) 1.292 2.121 ( -0.028 0.000 -1.156) 1.157 2.247 ( -3.521 0.000 2.869) 4.541 2.264 ( 2.888 0.000 -1.077) 3.083 2.302 ( 0.640 0.000 2.660) 2.736 2.350 ( -2.345 0.000 -0.241) 2.357 2.472 ( -0.704 0.000 1.005) 1.227 2.473 ( -0.363 0.000 2.690) 2.715 2.474 ( 0.017 0.000 1.058) 1.058 2.517 ( 0.209 0.000 -1.079) 1.099 2.556 ( -0.226 0.000 0.719) 0.753 2.573 ( 0.323 0.000 -0.779) 0.843 2.728 ( 2.563 0.000 -0.269) 2.577 2.733 ( -1.319 0.000 -0.707) 1.497 2.807 ( -5.158 0.000 1.794) 5.461 2.856 ( 8.312 0.000 -1.803) 8.506 2.858 ( 4.202 0.000 1.739) 4.547 2.900 ( -0.039 0.000 -2.009) 2.009 3.057 ( -0.314 0.000 0.524) 0.611 3.068 ( 0.197 0.000 -0.365) 0.415 3.116 ( -0.425 0.000 0.029) 0.426 3.124 ( 0.087 0.000 -0.693) 0.699 3.162 ( -1.637 0.000 0.865) 1.852 3.174 ( 0.814 0.000 -0.157) 0.829 3.225 ( -2.126 0.000 0.273) 2.144 3.235 ( 1.850 0.000 -0.471) 1.909 3.250 ( 2.203 0.000 0.001) 2.203 3.253 ( -3.048 0.000 -0.307) 3.064 3.357 ( 0.047 0.000 1.054) 1.055 3.383 ( -0.138 0.000 -1.057) 1.066 3.472 ( 0.111 0.000 0.106) 0.154 3.474 ( -2.292 0.000 -0.128) 2.296 3.480 ( -1.363 0.000 -0.143) 1.370 3.480 ( 2.039 0.000 -0.312) 2.063 3.786 ( 0.335 0.000 0.178) 0.379 3.791 ( -0.238 0.000 -0.192) 0.306 3.844 ( -2.066 0.000 0.119) 2.069 3.850 ( 0.615 0.000 -0.403) 0.735 3.945 ( 1.192 0.000 0.843) 1.460 3.965 ( -1.273 0.000 -0.822) 1.515 4.152 ( -0.696 0.000 -0.057) 0.699 4.153 ( 0.645 0.000 -0.157) 0.664 4.177 ( 0.059 0.000 0.142) 0.154 4.178 ( -0.289 0.000 0.050) 0.294 4.527 ( -1.050 0.000 0.849) 1.350 4.545 ( 3.917 0.000 -0.687) 3.977 4.661 ( 1.320 0.000 4.007) 4.219 4.754 ( -1.958 0.000 -3.700) 4.186 4.821 ( 2.854 0.000 0.971) 3.014 4.846 ( -5.124 0.000 -1.105) 5.242 5.354 ( 0.321 0.000 -0.093) 0.334 5.355 ( -0.404 0.000 -0.163) 0.435 5.400 ( 0.106 0.000 0.417) 0.430 5.411 ( 0.016 0.000 -0.533) 0.534 5.748 ( 0.284 0.000 -0.405) 0.494 5.748 ( -0.537 0.000 -0.501) 0.734 5.782 ( 0.127 0.000 0.448) 0.466 5.789 ( 0.085 0.000 -0.282) 0.295 5.832 ( -2.047 0.000 1.057) 2.304 5.844 ( 1.183 0.000 -0.213) 1.202 5.875 ( -1.163 0.000 0.159) 1.173 5.878 ( 0.876 0.000 0.015) 0.876 6.284 ( -0.240 0.000 -0.050) 0.245 6.285 ( 0.086 0.000 -0.124) 0.151 6.292 ( -0.192 0.000 0.171) 0.257 6.294 ( 0.184 0.000 0.053) 0.191 6.808 ( -0.290 0.000 0.097) 0.306 6.811 ( 0.462 0.000 -0.184) 0.497 6.835 ( 0.027 0.000 0.142) 0.144 6.836 ( -0.064 0.000 0.065) 0.091 7.137 ( -0.144 0.000 0.127) 0.192 7.141 ( -0.010 0.000 -0.154) 0.155 7.163 ( 0.000 0.000 0.018) 0.018 7.164 ( -0.029 0.000 -0.075) 0.080 7.438 ( 0.368 0.000 0.477) 0.602 7.449 ( -0.960 0.000 1.111) 1.468 7.451 ( -0.211 0.000 -0.523) 0.563 7.475 ( 1.017 0.000 -0.971) 1.406 7.544 ( -0.038 0.000 0.224) 0.228 7.549 ( 0.062 0.000 -0.238) 0.245 7.560 ( -0.016 0.000 0.240) 0.241 7.566 ( -0.026 0.000 -0.242) 0.244 7.937 ( -0.552 0.000 -0.118) 0.565 7.937 ( 0.472 0.000 -0.121) 0.488 8.057 ( -1.102 0.000 0.152) 1.112 8.061 ( -0.510 0.000 -0.231) 0.559 8.327 ( -0.489 0.000 1.402) 1.485 8.368 ( 0.338 0.000 -2.036) 2.064 8.455 ( -0.008 0.000 0.337) 0.337 8.463 ( -0.629 0.000 -0.346) 0.718 8.667 ( -0.985 0.000 0.277) 1.023 8.673 ( 0.936 0.000 -0.190) 0.955 8.758 ( -0.531 0.000 1.407) 1.504 8.786 ( 1.880 0.000 -1.004) 2.131 12.298 ( 0.223 0.000 -0.009) 0.223 12.298 ( -0.139 0.000 -0.059) 0.151 12.327 ( -0.127 0.000 0.046) 0.136 12.328 ( 0.050 0.000 -0.012) 0.051 12.473 ( -0.111 0.000 0.010) 0.111 12.474 ( 0.109 0.000 -0.038) 0.115 12.477 ( -0.026 0.000 0.048) 0.055 12.477 ( 0.048 0.000 0.023) 0.053 15.439 ( 0.110 0.000 0.190) 0.219 15.444 ( 0.055 0.000 -0.289) 0.294 15.457 ( -0.432 0.000 0.366) 0.566 15.463 ( 0.612 0.000 -0.097) 0.620 15.694 ( -0.596 0.000 0.192) 0.626 15.700 ( 1.643 0.000 -0.293) 1.669 15.737 ( -0.378 0.000 0.358) 0.520 15.744 ( 0.015 0.000 -0.180) 0.180 15.947 ( -0.154 0.000 0.191) 0.245 15.951 ( 0.101 0.000 -0.164) 0.192 16.000 ( -0.440 0.000 0.506) 0.671 16.014 ( 1.580 0.000 -0.677) 1.719 16.280 ( -0.566 0.000 0.155) 0.587 16.285 ( 0.595 0.000 -0.292) 0.663 16.553 ( 2.908 0.000 1.198) 3.145 16.582 ( -7.788 0.000 -1.027) 7.855 16.619 ( -7.989 0.000 2.421) 8.347 16.670 ( 15.265 0.000 -2.302) 15.437 16.709 ( 2.302 0.000 0.904) 2.473 16.734 ( 0.380 0.000 -0.893) 0.970 17.914 ( -16.129 0.000 4.017) 16.621 17.978 ( -0.045 0.000 2.283) 2.284 18.011 ( 5.614 0.000 -3.842) 6.803 18.038 ( -0.943 0.000 -2.899) 3.049======================= Grid point 36 (14/28) =======================q-point: ( 0.25 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.421 ( 2.072 0.000 8.547) 8.795 0.433 ( 7.170 0.000 -5.489) 9.030 0.549 ( 9.473 0.000 -8.260) 12.569 0.556 ( 7.068 0.000 9.088) 11.513 0.644 ( 1.699 0.000 2.412) 2.950 0.733 ( -0.394 0.000 -2.436) 2.468 0.764 ( 3.483 0.000 -2.941) 4.559 0.771 ( -2.223 0.000 3.518) 4.161 0.788 ( -0.044 0.000 -0.689) 0.690 0.820 ( 3.642 0.000 -4.920) 6.121 0.898 ( -2.133 0.000 -0.165) 2.139 0.917 ( -1.051 0.000 0.745) 1.288 0.969 ( 4.435 0.000 -2.709) 5.197 1.033 ( -2.625 0.000 -2.009) 3.306 1.053 ( 2.580 0.000 1.105) 2.807 1.078 ( -1.181 0.000 0.908) 1.490 1.106 ( -0.315 0.000 -0.197) 0.372 1.134 ( 0.670 0.000 -0.750) 1.006 1.153 ( 2.361 0.000 -2.434) 3.391 1.212 ( 1.550 0.000 -2.262) 2.742 1.261 ( -1.108 0.000 -1.506) 1.870 1.293 ( 2.579 0.000 -0.117) 2.582 1.312 ( 0.432 0.000 1.304) 1.374 1.325 ( 2.354 0.000 -3.668) 4.359 1.389 ( -1.488 0.000 5.207) 5.416 1.424 ( -1.248 0.000 1.564) 2.001 1.474 ( -1.832 0.000 1.832) 2.591 1.485 ( -1.556 0.000 3.024) 3.401 1.515 ( -0.011 0.000 0.763) 0.763 1.530 ( 2.202 0.000 -0.202) 2.211 1.534 ( -1.816 0.000 -1.592) 2.415 1.545 ( 1.183 0.000 0.969) 1.530 1.653 ( -1.907 0.000 -0.913) 2.115 1.670 ( -1.354 0.000 1.513) 2.031 1.694 ( -0.734 0.000 2.375) 2.485 1.718 ( 0.185 0.000 0.153) 0.240 1.771 ( -0.072 0.000 -1.507) 1.509 1.787 ( 0.319 0.000 1.691) 1.721 1.825 ( -3.544 0.000 -3.474) 4.963 1.879 ( -9.825 0.000 4.085) 10.640 2.042 ( 3.187 0.000 -0.904) 3.313 2.066 ( 0.722 0.000 -0.864) 1.126 2.100 ( -0.157 0.000 -1.082) 1.093 2.104 ( -1.085 0.000 0.840) 1.372 2.204 ( -4.830 0.000 2.081) 5.259 2.308 ( 2.026 0.000 -1.788) 2.702 2.333 ( 1.536 0.000 -0.653) 1.669 2.357 ( 1.652 0.000 1.020) 1.941 2.445 ( -1.916 0.000 0.262) 1.934 2.446 ( -2.650 0.000 -0.452) 2.688 2.523 ( 0.369 0.000 2.153) 2.185 2.528 ( 2.267 0.000 -1.282) 2.605 2.565 ( -0.354 0.000 0.366) 0.509 2.590 ( 2.570 0.000 -1.143) 2.813 2.659 ( -1.485 0.000 -2.534) 2.938 2.734 ( -0.879 0.000 0.293) 0.927 2.768 ( -1.218 0.000 0.407) 1.285 2.775 ( -5.740 0.000 -0.968) 5.821 2.904 ( 1.038 0.000 -2.722) 2.913 2.908 ( -0.417 0.000 0.181) 0.455 3.067 ( 0.091 0.000 0.574) 0.581 3.071 ( 0.910 0.000 -0.389) 0.990 3.098 ( -0.704 0.000 0.218) 0.737 3.098 ( -0.708 0.000 0.224) 0.743 3.185 ( -0.014 0.000 -0.059) 0.060 3.196 ( 2.332 0.000 0.313) 2.353 3.205 ( -1.584 0.000 -0.908) 1.826 3.230 ( 1.769 0.000 0.819) 1.950 3.272 ( 1.878 0.000 0.081) 1.880 3.281 ( 0.498 0.000 -0.358) 0.613 3.359 ( -0.568 0.000 -0.964) 1.119 3.363 ( -1.569 0.000 1.381) 2.090 3.447 ( -1.009 0.000 1.368) 1.700 3.468 ( -0.427 0.000 -0.120) 0.444 3.476 ( 0.042 0.000 0.079) 0.089 3.520 ( 2.061 0.000 0.045) 2.061 3.787 ( 0.353 0.000 -0.349) 0.496 3.797 ( 0.485 0.000 0.158) 0.511 3.854 ( 1.249 0.000 -0.132) 1.256 3.862 ( -0.489 0.000 0.553) 0.738 3.931 ( -0.992 0.000 -0.322) 1.043 3.979 ( 1.120 0.000 0.284) 1.155 4.138 ( -0.882 0.000 0.269) 0.922 4.157 ( -0.148 0.000 -0.163) 0.220 4.180 ( 0.395 0.000 0.092) 0.405 4.185 ( 0.597 0.000 -0.034) 0.598 4.568 ( 4.287 0.000 2.316) 4.873 4.583 ( 2.880 0.000 -3.107) 4.236 4.677 ( -1.515 0.000 -3.774) 4.066 4.770 ( 0.907 0.000 2.305) 2.477 4.794 ( 1.877 0.000 0.779) 2.032 4.899 ( 2.970 0.000 2.727) 4.032 5.357 ( 0.889 0.000 0.611) 1.079 5.361 ( 0.389 0.000 -0.085) 0.398 5.394 ( -1.267 0.000 -0.656) 1.426 5.408 ( 0.387 0.000 0.429) 0.577 5.734 ( -0.903 0.000 0.173) 0.920 5.746 ( -0.227 0.000 0.372) 0.436 5.778 ( -0.777 0.000 -0.474) 0.910 5.784 ( -0.183 0.000 0.116) 0.217 5.820 ( -0.673 0.000 0.862) 1.093 5.852 ( 0.023 0.000 -0.102) 0.104 5.861 ( -1.017 0.000 0.316) 1.065 5.895 ( 0.995 0.000 -0.461) 1.097 6.281 ( -0.196 0.000 0.152) 0.248 6.286 ( 0.037 0.000 0.043) 0.057 6.293 ( 0.076 0.000 -0.061) 0.098 6.297 ( 0.103 0.000 -0.028) 0.106 6.809 ( 0.166 0.000 0.252) 0.302 6.819 ( 0.761 0.000 -0.355) 0.840 6.836 ( 0.064 0.000 -0.041) 0.076 6.838 ( 0.140 0.000 0.020) 0.142 7.138 ( -0.025 0.000 -0.030) 0.039 7.139 ( 0.001 0.000 0.148) 0.148 7.164 ( 0.104 0.000 -0.029) 0.108 7.164 ( 0.057 0.000 0.082) 0.100 7.431 ( -0.730 0.000 -0.423) 0.843 7.446 ( -0.202 0.000 0.280) 0.345 7.451 ( -0.680 0.000 0.921) 1.145 7.476 ( 1.010 0.000 -0.974) 1.404 7.545 ( -0.200 0.000 0.146) 0.248 7.546 ( -0.035 0.000 -0.208) 0.211 7.564 ( 0.154 0.000 -0.132) 0.202 7.565 ( 0.055 0.000 0.212) 0.220 7.929 ( -0.184 0.000 0.234) 0.298 7.949 ( 0.705 0.000 -0.076) 0.709 8.089 ( 2.345 0.000 2.025) 3.098 8.092 ( 2.966 0.000 -0.013) 2.966 8.336 ( -1.238 0.000 1.879) 2.250 8.344 ( 0.179 0.000 -1.188) 1.201 8.454 ( -0.387 0.000 0.152) 0.416 8.462 ( -0.064 0.000 0.676) 0.679 8.654 ( -0.755 0.000 0.289) 0.808 8.684 ( 0.670 0.000 -0.292) 0.730 8.754 ( -1.211 0.000 -0.034) 1.212 8.777 ( 0.116 0.000 -1.623) 1.628 12.296 ( 0.012 0.000 -0.028) 0.031 12.302 ( 0.291 0.000 -0.104) 0.309 12.326 ( -0.126 0.000 0.140) 0.188 12.328 ( 0.052 0.000 0.009) 0.053 12.471 ( -0.184 0.000 0.047) 0.190 12.475 ( 0.089 0.000 -0.040) 0.097 12.477 ( -0.068 0.000 0.019) 0.071 12.478 ( -0.033 0.000 -0.073) 0.080 15.437 ( -0.224 0.000 -0.150) 0.270 15.442 ( 0.043 0.000 0.111) 0.119 15.454 ( -0.397 0.000 0.196) 0.443 15.469 ( 0.444 0.000 -0.455) 0.635 15.680 ( -0.548 0.000 0.097) 0.557 15.693 ( -0.709 0.000 -0.278) 0.761 15.763 ( 1.607 0.000 -0.040) 1.607 15.778 ( 3.670 0.000 -0.601) 3.719 15.948 ( -0.033 0.000 0.245) 0.247 15.951 ( 0.155 0.000 -0.207) 0.259 15.977 ( -2.013 0.000 -0.443) 2.061 15.991 ( -2.272 0.000 -0.391) 2.305 16.274 ( -0.390 0.000 0.267) 0.473 16.292 ( 0.540 0.000 -0.302) 0.619 16.481 ( -4.734 0.000 1.046) 4.849 16.501 ( -4.849 0.000 -1.937) 5.221 16.613 ( 0.409 0.000 3.520) 3.543 16.695 ( 0.707 0.000 -0.253) 0.751 16.790 ( 3.375 0.000 1.109) 3.552 16.840 ( 10.279 0.000 -8.378) 13.261 17.887 ( -2.146 0.000 6.627) 6.966 17.993 ( -0.127 0.000 -1.805) 1.810 18.018 ( -0.288 0.000 3.994) 4.004 18.114 ( 6.952 0.000 2.440) 7.368======================= Grid point 37 (15/28) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( -10.697 0.000 2.130) 10.907 0.438 ( -12.943 0.000 0.561) 12.955 0.510 ( 9.341 0.000 -5.501) 10.841 0.545 ( 8.163 0.000 -8.187) 11.561 0.707 ( -4.950 0.000 2.576) 5.580 0.745 ( 6.893 0.000 1.742) 7.110 0.793 ( -0.872 0.000 -0.298) 0.921 0.799 ( -2.129 0.000 2.371) 3.186 0.863 ( -6.305 0.000 2.229) 6.687 0.879 ( -1.549 0.000 2.201) 2.691 0.890 ( 4.307 0.000 -0.281) 4.316 0.909 ( 1.366 0.000 2.332) 2.703 0.967 ( 1.126 0.000 -3.469) 3.648 1.017 ( 1.573 0.000 -2.803) 3.214 1.060 ( 1.910 0.000 -2.996) 3.553 1.061 ( 0.295 0.000 -2.990) 3.005 1.110 ( -0.289 0.000 -0.035) 0.291 1.122 ( -0.528 0.000 -0.960) 1.095 1.156 ( -1.580 0.000 0.636) 1.703 1.214 ( -0.634 0.000 -4.673) 4.715 1.233 ( 0.668 0.000 0.797) 1.040 1.265 ( 1.057 0.000 -1.869) 2.147 1.316 ( 0.194 0.000 0.178) 0.263 1.323 ( -0.392 0.000 0.257) 0.469 1.388 ( -0.237 0.000 1.332) 1.353 1.413 ( 1.636 0.000 -1.089) 1.965 1.493 ( -3.258 0.000 3.227) 4.585 1.501 ( -0.553 0.000 1.931) 2.008 1.537 ( 2.666 0.000 1.367) 2.996 1.542 ( 2.929 0.000 0.330) 2.947 1.569 ( 1.075 0.000 2.395) 2.625 1.598 ( -0.645 0.000 0.211) 0.679 1.620 ( 0.305 0.000 -2.348) 2.368 1.632 ( -0.244 0.000 -0.430) 0.494 1.711 ( -0.972 0.000 2.242) 2.444 1.748 ( 0.154 0.000 -0.920) 0.933 1.777 ( 1.980 0.000 4.834) 5.223 1.799 ( 0.919 0.000 5.433) 5.510 1.851 ( -3.308 0.000 5.535) 6.448 1.853 ( 2.227 0.000 -0.198) 2.236 2.005 ( -0.255 0.000 -5.329) 5.335 2.035 ( -0.546 0.000 -3.396) 3.440 2.090 ( -1.337 0.000 0.489) 1.424 2.096 ( 0.826 0.000 -0.151) 0.840 2.174 ( -3.365 0.000 3.536) 4.881 2.272 ( 1.236 0.000 -4.715) 4.875 2.362 ( 0.948 0.000 -0.015) 0.948 2.369 ( 0.042 0.000 -0.976) 0.977 2.416 ( 0.298 0.000 -0.109) 0.318 2.417 ( -1.582 0.000 0.035) 1.582 2.506 ( -1.574 0.000 0.341) 1.610 2.536 ( 1.153 0.000 -1.784) 2.125 2.590 ( -0.516 0.000 1.121) 1.234 2.615 ( 1.452 0.000 -0.816) 1.665 2.671 ( 2.832 0.000 0.374) 2.857 2.686 ( -2.431 0.000 -0.850) 2.575 2.745 ( 0.506 0.000 0.343) 0.611 2.752 ( -0.725 0.000 -0.244) 0.765 2.887 ( -0.174 0.000 -0.573) 0.599 2.895 ( -0.207 0.000 -0.579) 0.615 3.069 ( -0.694 0.000 0.467) 0.837 3.078 ( 0.397 0.000 -0.326) 0.514 3.100 ( 0.005 0.000 0.459) 0.459 3.102 ( 0.611 0.000 0.400) 0.730 3.169 ( -0.459 0.000 -1.523) 1.591 3.169 ( -0.407 0.000 -1.383) 1.442 3.230 ( 1.142 0.000 0.445) 1.226 3.239 ( -1.268 0.000 -0.352) 1.316 3.280 ( -0.571 0.000 -0.323) 0.656 3.280 ( 0.582 0.000 -0.260) 0.638 3.344 ( -2.031 0.000 0.837) 2.197 3.356 ( 1.381 0.000 -0.256) 1.404 3.464 ( -0.560 0.000 1.407) 1.514 3.476 ( -0.087 0.000 -0.154) 0.177 3.480 ( 0.834 0.000 1.829) 2.010 3.524 ( -0.412 0.000 -1.419) 1.477 3.797 ( 0.836 0.000 -0.069) 0.839 3.798 ( -0.560 0.000 -0.161) 0.583 3.851 ( -0.677 0.000 0.531) 0.861 3.863 ( 0.712 0.000 -0.488) 0.864 3.940 ( 0.956 0.000 1.310) 1.622 3.972 ( -0.939 0.000 -1.356) 1.650 4.135 ( -0.150 0.000 0.633) 0.650 4.149 ( 0.058 0.000 -0.524) 0.527 4.185 ( -0.070 0.000 0.188) 0.201 4.190 ( 0.094 0.000 -0.221) 0.240 4.579 ( -3.291 0.000 -1.098) 3.469 4.583 ( 1.922 0.000 -1.760) 2.606 4.699 ( 4.145 0.000 1.763) 4.504 4.737 ( -1.708 0.000 -1.494) 2.269 4.911 ( 4.116 0.000 3.851) 5.637 4.933 ( -3.188 0.000 1.210) 3.410 5.364 ( -1.142 0.000 -0.137) 1.150 5.364 ( 0.448 0.000 -0.121) 0.464 5.402 ( 1.464 0.000 1.653) 2.208 5.423 ( 0.242 0.000 0.189) 0.308 5.730 ( 0.122 0.000 0.581) 0.594 5.744 ( -0.297 0.000 -0.232) 0.377 5.772 ( 0.757 0.000 0.136) 0.769 5.779 ( -0.330 0.000 -0.264) 0.423 5.831 ( -0.251 0.000 1.814) 1.831 5.851 ( -0.608 0.000 0.248) 0.657 5.851 ( 0.012 0.000 -0.042) 0.044 5.883 ( -0.093 0.000 -1.991) 1.993 6.284 ( 0.024 0.000 0.390) 0.391 6.288 ( 0.018 0.000 0.142) 0.143 6.293 ( 0.114 0.000 -0.170) 0.204 6.294 ( -0.164 0.000 -0.324) 0.363 6.815 ( -0.236 0.000 0.448) 0.506 6.824 ( 0.455 0.000 -0.351) 0.574 6.836 ( 0.005 0.000 -0.033) 0.034 6.838 ( -0.021 0.000 -0.163) 0.165 7.139 ( -0.146 0.000 0.013) 0.147 7.139 ( 0.057 0.000 0.021) 0.060 7.165 ( -0.076 0.000 0.089) 0.117 7.166 ( 0.107 0.000 0.044) 0.115 7.426 ( 0.104 0.000 0.420) 0.432 7.440 ( -0.256 0.000 -0.460) 0.527 7.457 ( -0.256 0.000 0.901) 0.937 7.477 ( 0.584 0.000 -0.974) 1.136 7.542 ( -0.169 0.000 0.027) 0.171 7.544 ( 0.163 0.000 -0.127) 0.207 7.566 ( -0.175 0.000 0.090) 0.197 7.567 ( 0.176 0.000 0.033) 0.179 7.937 ( 0.098 0.000 0.778) 0.784 7.952 ( -0.034 0.000 -0.437) 0.438 8.125 ( -2.469 0.000 1.829) 3.072 8.144 ( 3.073 0.000 0.564) 3.124 8.339 ( -1.568 0.000 1.912) 2.472 8.358 ( 1.558 0.000 0.249) 1.578 8.458 ( 0.039 0.000 1.072) 1.073 8.468 ( -0.608 0.000 0.607) 0.859 8.657 ( 0.057 0.000 0.963) 0.965 8.682 ( 0.026 0.000 -0.837) 0.837 8.733 ( 0.038 0.000 -0.664) 0.665 8.752 ( 0.035 0.000 -2.383) 2.384 12.298 ( 0.072 0.000 0.107) 0.129 12.302 ( 0.011 0.000 -0.265) 0.265 12.327 ( -0.068 0.000 0.214) 0.225 12.329 ( 0.000 0.000 -0.005) 0.005 12.471 ( -0.003 0.000 0.138) 0.138 12.474 ( -0.010 0.000 -0.185) 0.185 12.476 ( -0.044 0.000 0.020) 0.048 12.477 ( 0.093 0.000 -0.038) 0.101 15.437 ( 0.276 0.000 0.159) 0.318 15.441 ( -0.249 0.000 -0.138) 0.285 15.452 ( -0.126 0.000 0.385) 0.405 15.466 ( 0.194 0.000 -0.708) 0.735 15.681 ( -0.063 0.000 0.358) 0.363 15.685 ( 0.211 0.000 -0.105) 0.236 15.777 ( -0.186 0.000 0.270) 0.328 15.805 ( 1.098 0.000 -1.940) 2.229 15.946 ( -1.234 0.000 0.042) 1.234 15.952 ( 0.729 0.000 -0.380) 0.822 15.955 ( -0.603 0.000 0.022) 0.604 15.957 ( 0.400 0.000 -0.104) 0.414 16.276 ( -0.080 0.000 0.588) 0.594 16.291 ( 0.166 0.000 -0.616) 0.638 16.431 ( -2.671 0.000 0.338) 2.692 16.453 ( 1.639 0.000 -1.445) 2.185 16.660 ( -2.130 0.000 5.081) 5.509 16.722 ( 1.112 0.000 1.044) 1.525 16.790 ( -2.650 0.000 -1.451) 3.021 16.852 ( 6.244 0.000 -8.395) 10.463 17.940 ( -0.266 0.000 2.737) 2.750 17.981 ( 1.311 0.000 -1.448) 1.953 18.104 ( 0.235 0.000 9.840) 9.843 18.196 ( -2.589 0.000 1.659) 3.075======================= Grid point 38 (16/28) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.266 ( -12.565 0.000 6.432) 14.115 0.297 ( -10.751 0.000 12.957) 16.836 0.552 ( -23.682 0.000 7.342) 24.794 0.583 ( 0.794 0.000 -4.408) 4.479 0.638 ( 4.898 0.000 -0.388) 4.913 0.701 ( -0.042 0.000 0.596) 0.598 0.745 ( -9.642 0.000 0.521) 9.656 0.804 ( 1.764 0.000 -6.083) 6.333 0.811 ( -0.249 0.000 -0.696) 0.739 0.840 ( -0.708 0.000 -2.565) 2.661 0.919 ( -0.893 0.000 0.658) 1.109 0.949 ( 3.462 0.000 -0.941) 3.588 0.949 ( 1.551 0.000 -2.246) 2.729 0.963 ( 2.778 0.000 2.687) 3.865 1.040 ( -0.408 0.000 0.569) 0.700 1.049 ( 0.540 0.000 1.259) 1.370 1.105 ( -2.252 0.000 1.941) 2.974 1.107 ( -0.167 0.000 0.501) 0.528 1.129 ( -0.367 0.000 -1.825) 1.862 1.153 ( -1.528 0.000 2.359) 2.811 1.247 ( -2.970 0.000 -0.761) 3.066 1.249 ( -2.277 0.000 2.283) 3.224 1.300 ( -1.629 0.000 -0.772) 1.802 1.362 ( 2.659 0.000 -1.764) 3.191 1.437 ( 1.816 0.000 -0.412) 1.862 1.441 ( 2.583 0.000 0.142) 2.587 1.496 ( 0.283 0.000 0.335) 0.438 1.513 ( -0.870 0.000 0.422) 0.967 1.521 ( -3.788 0.000 -0.168) 3.792 1.583 ( -1.172 0.000 -2.408) 2.678 1.603 ( 3.489 0.000 -1.864) 3.955 1.622 ( 3.812 0.000 -0.549) 3.851 1.627 ( 3.279 0.000 -0.037) 3.279 1.684 ( 5.604 0.000 -2.335) 6.071 1.732 ( 0.271 0.000 2.027) 2.046 1.745 ( 1.780 0.000 -1.320) 2.216 1.787 ( -0.162 0.000 -6.302) 6.304 1.824 ( -1.400 0.000 -5.258) 5.441 1.837 ( 0.289 0.000 -0.698) 0.755 1.924 ( 1.591 0.000 6.319) 6.516 1.990 ( 1.582 0.000 -2.257) 2.756 2.005 ( -0.846 0.000 4.153) 4.239 2.079 ( -0.597 0.000 0.573) 0.828 2.118 ( 1.433 0.000 -0.004) 1.433 2.200 ( -1.742 0.000 6.607) 6.833 2.255 ( 2.709 0.000 -2.924) 3.986 2.331 ( -3.301 0.000 -0.599) 3.355 2.397 ( 3.649 0.000 -0.012) 3.649 2.419 ( 1.317 0.000 1.028) 1.670 2.438 ( 1.052 0.000 0.213) 1.074 2.492 ( -2.145 0.000 1.539) 2.640 2.540 ( 2.763 0.000 1.262) 3.038 2.567 ( -2.343 0.000 0.775) 2.468 2.578 ( -3.433 0.000 -2.838) 4.454 2.627 ( -2.483 0.000 -0.554) 2.544 2.735 ( 2.355 0.000 0.625) 2.437 2.753 ( 2.181 0.000 0.499) 2.237 2.769 ( 1.093 0.000 0.177) 1.108 2.872 ( -2.342 0.000 -0.097) 2.344 2.887 ( -0.096 0.000 1.786) 1.788 3.060 ( -0.858 0.000 0.444) 0.966 3.076 ( -0.345 0.000 -0.131) 0.369 3.103 ( 0.677 0.000 -0.041) 0.679 3.113 ( 0.964 0.000 -1.101) 1.463 3.168 ( 0.572 0.000 1.561) 1.663 3.187 ( 2.426 0.000 0.557) 2.489 3.202 ( -2.244 0.000 -0.291) 2.263 3.242 ( -0.765 0.000 -0.053) 0.766 3.262 ( -0.676 0.000 0.972) 1.184 3.275 ( -1.273 0.000 -0.171) 1.284 3.339 ( 0.038 0.000 0.856) 0.857 3.381 ( 1.528 0.000 -0.344) 1.566 3.469 ( -0.173 0.000 -0.234) 0.291 3.473 ( 0.206 0.000 0.442) 0.488 3.487 ( -0.600 0.000 -1.698) 1.801 3.507 ( -0.787 0.000 1.536) 1.726 3.784 ( -0.307 0.000 -0.118) 0.329 3.798 ( -0.430 0.000 0.009) 0.430 3.855 ( 0.004 0.000 -0.086) 0.086 3.875 ( 1.207 0.000 -0.238) 1.230 3.936 ( -0.585 0.000 -0.817) 1.005 3.973 ( 0.471 0.000 0.819) 0.945 4.147 ( 0.554 0.000 -0.494) 0.742 4.149 ( 0.540 0.000 0.567) 0.783 4.183 ( -0.583 0.000 -0.121) 0.596 4.183 ( -0.446 0.000 0.177) 0.480 4.536 ( -1.845 0.000 1.027) 2.111 4.609 ( 1.378 0.000 1.314) 1.904 4.656 ( -4.160 0.000 -5.212) 6.668 4.768 ( 2.592 0.000 0.657) 2.674 4.853 ( -4.761 0.000 -1.904) 5.128 4.986 ( 0.697 0.000 -3.512) 3.581 5.358 ( -0.003 0.000 0.248) 0.248 5.381 ( 0.763 0.000 0.136) 0.775 5.394 ( -1.479 0.000 -2.567) 2.962 5.419 ( -0.251 0.000 -0.216) 0.331 5.744 ( 0.936 0.000 -0.646) 1.138 5.756 ( 1.408 0.000 0.730) 1.586 5.766 ( -0.367 0.000 -0.514) 0.632 5.788 ( 0.795 0.000 -0.323) 0.858 5.842 ( -0.083 0.000 -0.998) 1.002 5.845 ( -0.858 0.000 0.568) 1.029 5.868 ( 0.701 0.000 -0.503) 0.862 5.868 ( 0.784 0.000 2.423) 2.547 6.287 ( 0.031 0.000 -0.335) 0.336 6.288 ( 0.005 0.000 -0.051) 0.051 6.290 ( 0.059 0.000 0.154) 0.165 6.295 ( 0.205 0.000 0.070) 0.217 6.813 ( -0.526 0.000 0.264) 0.589 6.822 ( -0.062 0.000 -0.902) 0.904 6.835 ( -0.151 0.000 0.012) 0.152 6.836 ( -0.098 0.000 0.121) 0.156 7.138 ( 0.020 0.000 0.112) 0.113 7.141 ( 0.134 0.000 -0.023) 0.136 7.164 ( -0.142 0.000 -0.013) 0.143 7.166 ( -0.090 0.000 -0.048) 0.103 7.430 ( 0.081 0.000 -0.436) 0.444 7.439 ( 0.179 0.000 0.845) 0.864 7.461 ( -0.457 0.000 0.332) 0.565 7.470 ( 0.386 0.000 -0.804) 0.892 7.542 ( -0.027 0.000 0.117) 0.121 7.547 ( 0.335 0.000 -0.079) 0.345 7.563 ( -0.332 0.000 0.039) 0.334 7.569 ( 0.044 0.000 -0.072) 0.084 7.940 ( -0.271 0.000 -0.554) 0.617 7.945 ( -0.349 0.000 0.377) 0.514 8.090 ( -2.697 0.000 0.400) 2.727 8.182 ( 0.819 0.000 -4.824) 4.893 8.331 ( -1.635 0.000 0.228) 1.651 8.376 ( 1.348 0.000 -1.161) 1.779 8.459 ( -0.548 0.000 -0.158) 0.570 8.481 ( 0.477 0.000 -0.029) 0.478 8.667 ( 0.207 0.000 -1.030) 1.051 8.671 ( -0.323 0.000 0.878) 0.935 8.727 ( 0.334 0.000 1.378) 1.418 8.741 ( 0.232 0.000 1.061) 1.086 12.298 ( -0.067 0.000 -0.169) 0.182 12.300 ( -0.040 0.000 0.094) 0.102 12.328 ( -0.086 0.000 0.085) 0.121 12.328 ( -0.047 0.000 -0.059) 0.075 12.473 ( 0.113 0.000 -0.121) 0.165 12.473 ( 0.043 0.000 0.114) 0.122 12.476 ( 0.032 0.000 0.036) 0.048 12.478 ( 0.078 0.000 -0.087) 0.117 15.436 ( -0.018 0.000 -0.065) 0.068 15.445 ( 0.129 0.000 -0.195) 0.234 15.456 ( -0.242 0.000 0.522) 0.576 15.459 ( 0.222 0.000 -0.369) 0.431 15.687 ( 0.473 0.000 0.206) 0.516 15.693 ( 0.792 0.000 -1.005) 1.280 15.764 ( -2.327 0.000 -0.992) 2.530 15.765 ( -1.896 0.000 0.528) 1.969 15.940 ( 0.470 0.000 1.151) 1.244 15.952 ( 0.004 0.000 -0.131) 0.131 15.954 ( 0.170 0.000 0.895) 0.911 15.982 ( 1.614 0.000 0.251) 1.634 16.283 ( -0.226 0.000 0.488) 0.538 16.285 ( 0.216 0.000 -0.606) 0.643 16.426 ( 1.021 0.000 3.983) 4.112 16.490 ( 3.753 0.000 -0.339) 3.768 16.673 ( -5.213 0.000 5.206) 7.368 16.716 ( -2.766 0.000 -0.860) 2.897 16.720 ( 0.280 0.000 -4.070) 4.080 16.823 ( -0.351 0.000 -4.743) 4.756 17.957 ( -0.272 0.000 1.165) 1.196 17.990 ( 2.954 0.000 -2.592) 3.930 18.119 ( -3.292 0.000 -3.279) 4.646 18.239 ( 0.442 0.000 -2.758) 2.793======================= Grid point 39 (17/28) =======================q-point: ( 0.00 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( -2.311 11.457 8.319) 14.346 0.480 ( -2.661 7.501 11.159) 13.707 0.580 ( 1.065 8.805 -5.291) 10.328 0.706 ( 1.882 9.045 -4.661) 10.347 0.728 ( -1.653 13.513 3.294) 14.007 0.819 ( 1.301 7.678 -0.496) 7.803 0.835 ( -1.689 3.897 -0.889) 4.340 0.850 ( 1.731 8.789 -2.041) 9.188 0.896 ( 1.651 5.457 0.339) 5.711 0.919 ( 0.583 4.982 -1.742) 5.310 0.954 ( -0.569 5.792 2.544) 6.351 0.995 ( 0.741 5.360 0.072) 5.412 1.034 ( 1.179 3.889 1.381) 4.292 1.047 ( -1.464 4.235 0.423) 4.501 1.111 ( 1.454 3.633 2.173) 4.476 1.135 ( -1.570 5.731 0.316) 5.950 1.154 ( 0.052 5.225 1.332) 5.392 1.201 ( 1.902 6.528 -0.425) 6.813 1.231 ( 0.463 8.543 2.822) 9.009 1.262 ( -0.920 5.971 2.598) 6.576 1.305 ( -1.326 7.536 1.579) 7.813 1.327 ( 1.727 9.432 -0.042) 9.589 1.360 ( -0.380 5.465 0.070) 5.479 1.391 ( 0.595 4.597 -2.304) 5.176 1.436 ( -1.813 0.179 -1.458) 2.333 1.473 ( -0.932 1.358 -4.450) 4.745 1.484 ( -0.236 0.015 0.253) 0.346 1.502 ( -1.288 1.542 0.588) 2.094 1.517 ( 0.455 1.652 -0.775) 1.881 1.553 ( 0.584 2.874 -1.889) 3.488 1.582 ( 0.544 1.677 -4.409) 4.748 1.601 ( 1.163 1.013 -3.982) 4.270 1.654 ( -0.722 1.707 1.241) 2.231 1.669 ( 0.326 0.659 -0.290) 0.790 1.728 ( -1.394 0.401 -1.953) 2.433 1.773 ( 0.419 1.730 -3.505) 3.931 1.811 ( -1.384 4.973 -0.266) 5.169 1.822 ( 0.445 3.410 -0.851) 3.543 1.922 ( 8.368 0.134 2.338) 8.690 1.956 ( -5.663 0.264 0.394) 5.683 1.983 ( -6.183 -0.585 2.832) 6.825 2.027 ( 3.810 -0.205 -0.421) 3.838 2.153 ( 1.352 3.786 0.589) 4.063 2.165 ( -0.550 2.651 -0.472) 2.748 2.215 ( -2.816 -2.519 1.694) 4.140 2.234 ( 1.700 -2.199 -0.661) 2.857 2.280 ( 1.024 -2.000 1.916) 2.953 2.304 ( -0.177 -2.074 0.412) 2.122 2.473 ( 0.133 1.435 1.089) 1.806 2.498 ( -0.911 1.925 -0.699) 2.241 2.532 ( -1.797 3.592 1.591) 4.320 2.553 ( 1.768 1.926 -0.065) 2.615 2.586 ( -0.801 3.834 0.250) 3.925 2.603 ( 0.336 3.572 -1.108) 3.755 2.677 ( 3.769 -2.837 2.330) 5.261 2.722 ( -1.373 -1.010 -1.887) 2.543 2.782 ( -0.915 -1.404 1.396) 2.181 2.798 ( 0.205 -1.077 0.150) 1.107 2.834 ( -2.806 -2.444 0.868) 3.821 2.837 ( 3.545 -1.851 0.587) 4.042 3.087 ( -0.575 -0.160 -0.103) 0.605 3.091 ( 0.536 -0.066 -0.514) 0.746 3.122 ( 0.340 0.090 0.834) 0.905 3.131 ( -0.899 -1.054 0.290) 1.415 3.194 ( -0.059 1.083 -0.076) 1.088 3.204 ( -0.078 0.222 -0.847) 0.879 3.217 ( -0.439 0.011 0.664) 0.796 3.232 ( 1.387 1.400 0.702) 2.092 3.246 ( -0.194 -0.159 -1.239) 1.264 3.259 ( -0.369 1.573 -1.145) 1.980 3.336 ( 0.218 -1.489 1.237) 1.948 3.365 ( -0.248 -1.481 -1.150) 1.891 3.434 ( 0.355 -2.378 0.359) 2.431 3.444 ( -0.180 -1.891 -0.394) 1.940 3.468 ( -2.122 -0.919 0.243) 2.325 3.476 ( 1.632 -0.579 -0.333) 1.763 3.840 ( 0.782 2.075 -0.048) 2.218 3.845 ( -0.278 1.957 -0.453) 2.028 3.871 ( -0.501 3.952 0.960) 4.097 3.890 ( -0.128 2.807 -0.495) 2.854 3.947 ( 0.584 0.468 0.432) 0.865 3.968 ( -0.573 0.472 -1.617) 1.780 4.193 ( -1.543 3.102 0.088) 3.466 4.201 ( 1.152 2.699 -0.483) 2.974 4.221 ( 1.493 3.887 1.218) 4.339 4.274 ( -1.447 5.541 -4.494) 7.280 4.538 ( -2.865 0.129 0.791) 2.975 4.551 ( 4.813 -0.116 -0.267) 4.822 4.666 ( 1.211 0.552 3.581) 3.820 4.730 ( -0.419 -3.708 -0.729) 3.802 4.738 ( -4.115 -6.510 1.590) 7.864 4.769 ( 1.564 -2.360 -2.598) 3.842 5.367 ( 0.044 0.995 -0.060) 0.998 5.370 ( -0.149 1.165 -0.324) 1.218 5.399 ( 0.262 -0.065 0.482) 0.552 5.409 ( -0.181 -0.291 -0.394) 0.522 5.735 ( 0.340 -1.254 -0.303) 1.334 5.738 ( -0.728 -1.332 -0.589) 1.629 5.778 ( 0.648 -1.565 0.595) 1.795 5.781 ( -0.306 -1.731 0.358) 1.794 5.866 ( -0.494 3.811 1.047) 3.983 5.886 ( 0.308 3.522 -0.246) 3.544 5.900 ( 0.118 2.505 -0.133) 2.512 5.914 ( -0.382 3.120 -1.837) 3.641 6.307 ( 0.120 2.020 0.060) 2.025 6.311 ( -0.219 2.151 -0.234) 2.174 6.315 ( 0.338 1.980 0.329) 2.036 6.321 ( -0.449 1.926 -0.054) 1.978 6.791 ( -0.144 -1.574 0.081) 1.583 6.793 ( 0.172 -1.581 -0.132) 1.596 6.819 ( -0.038 -1.528 0.118) 1.533 6.821 ( 0.010 -1.486 -0.061) 1.487 7.148 ( -0.400 1.122 0.290) 1.226 7.156 ( 0.531 1.291 -0.359) 1.441 7.171 ( 0.132 0.773 0.152) 0.798 7.175 ( -0.217 0.838 -0.174) 0.883 7.407 ( 0.236 -2.174 0.033) 2.188 7.415 ( -0.007 -2.642 -0.490) 2.687 7.426 ( -0.914 -1.927 0.781) 2.271 7.444 ( 0.787 -2.385 -0.587) 2.580 7.578 ( -0.086 2.821 0.218) 2.830 7.582 ( 0.026 2.603 -0.090) 2.604 7.599 ( 0.596 2.937 -0.060) 2.997 7.600 ( -0.330 2.819 -0.103) 2.840 7.961 ( -0.668 1.908 0.483) 2.078 7.987 ( 1.437 2.615 -2.132) 3.667 8.043 ( -0.264 -1.108 0.270) 1.170 8.050 ( -0.645 -0.985 -0.301) 1.215 8.316 ( -0.697 -0.763 1.104) 1.512 8.350 ( 0.401 -1.417 -1.723) 2.266 8.440 ( 0.057 -1.376 0.313) 1.412 8.447 ( -0.356 -1.308 -0.261) 1.381 8.635 ( -0.986 -2.628 0.161) 2.811 8.640 ( 0.985 -2.549 -0.318) 2.752 8.726 ( -0.435 -3.020 0.963) 3.199 8.731 ( 1.088 -3.570 0.809) 3.818 12.290 ( 0.206 -0.616 0.019) 0.650 12.292 ( -0.171 -0.608 -0.185) 0.658 12.315 ( 0.156 -0.908 0.197) 0.942 12.319 ( -0.186 -0.849 -0.099) 0.875 12.463 ( -0.079 -0.934 0.041) 0.938 12.464 ( 0.079 -0.899 -0.050) 0.904 12.466 ( -0.038 -1.013 0.044) 1.014 12.466 ( 0.063 -0.987 0.009) 0.989 15.463 ( -0.047 1.522 0.483) 1.597 15.474 ( -0.085 2.147 -0.484) 2.203 15.500 ( 0.070 1.820 0.908) 2.036 15.530 ( 0.101 1.876 -1.735) 2.557 15.710 ( 0.061 1.434 0.411) 1.493 15.719 ( 0.367 2.138 -0.347) 2.197 15.735 ( -0.307 0.671 1.021) 1.260 15.771 ( 0.498 2.045 -2.306) 3.122 15.982 ( 0.154 1.739 1.721) 2.451 16.005 ( -0.087 3.336 -0.494) 3.373 16.036 ( -0.119 3.690 1.296) 3.913 16.098 ( 0.734 3.527 -4.350) 5.648 16.320 ( -0.253 4.067 1.072) 4.213 16.360 ( -0.025 5.662 -2.389) 6.146 16.501 ( 1.314 -4.413 1.003) 4.713 16.531 ( -5.953 -4.145 -2.004) 7.526 16.597 ( -0.902 -3.179 -0.007) 3.304 16.612 ( 3.590 -4.032 -0.802) 5.458 16.684 ( -3.874 -2.518 0.761) 4.683 16.715 ( 8.714 -0.970 -1.174) 8.846 17.840 ( -9.584 -5.193 5.652) 12.279 17.927 ( -0.166 -4.562 2.052) 5.005 17.952 ( 5.136 -5.314 -4.138) 8.470 17.978 ( -0.791 -5.076 -2.193) 5.586======================= Grid point 40 (18/28) =======================q-point: ( 0.25 0.14 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 2.852 5.993 3.568) 7.535 0.591 ( 8.870 6.118 -2.879) 11.153 0.632 ( 1.935 7.161 3.701) 8.290 0.685 ( 3.531 7.586 -2.303) 8.679 0.731 ( 0.414 8.354 -2.481) 8.724 0.813 ( 2.765 4.533 -1.446) 5.503 0.845 ( 2.192 7.763 0.120) 8.067 0.871 ( 2.360 8.159 0.872) 8.538 0.893 ( 0.592 6.729 0.099) 6.755 0.926 ( 1.193 3.957 -0.978) 4.247 0.942 ( -4.341 10.692 0.049) 11.539 0.976 ( -0.807 3.668 -1.622) 4.091 1.016 ( 0.489 5.584 -0.055) 5.605 1.062 ( -0.481 2.874 0.777) 3.016 1.127 ( 0.936 5.311 -0.347) 5.404 1.144 ( -0.216 6.779 -1.354) 6.916 1.173 ( 0.465 4.637 0.007) 4.660 1.195 ( 1.379 8.884 -1.284) 9.081 1.249 ( 1.059 4.750 -3.230) 5.841 1.288 ( 0.922 9.455 -1.342) 9.594 1.306 ( -0.333 4.383 1.258) 4.572 1.353 ( 0.390 5.298 -0.976) 5.401 1.374 ( 0.544 3.554 -1.445) 3.875 1.389 ( 3.353 7.372 1.020) 8.163 1.420 ( 0.836 3.162 4.945) 5.929 1.439 ( -0.874 1.053 1.645) 2.140 1.486 ( -2.365 0.723 2.049) 3.212 1.501 ( 0.075 2.581 -0.413) 2.615 1.537 ( 3.023 1.475 1.504) 3.684 1.546 ( -2.392 2.108 -1.645) 3.588 1.564 ( 1.576 1.919 -0.259) 2.497 1.575 ( -0.215 3.649 0.397) 3.676 1.661 ( -1.048 1.134 1.117) 1.906 1.670 ( -0.163 0.706 -0.488) 0.873 1.722 ( -1.334 0.877 0.831) 1.800 1.742 ( 0.684 1.419 2.189) 2.696 1.768 ( -4.218 1.691 0.282) 4.554 1.815 ( -3.070 0.498 -1.359) 3.394 1.827 ( -1.511 3.739 -1.295) 4.236 1.881 ( -8.219 0.664 3.182) 8.839 2.042 ( 2.438 0.084 -0.520) 2.494 2.056 ( 0.938 -0.616 -1.022) 1.518 2.151 ( 0.446 3.929 -0.517) 3.988 2.172 ( -0.595 3.973 0.687) 4.075 2.178 ( -3.093 -1.458 1.006) 3.564 2.268 ( 2.638 -3.324 -1.127) 4.390 2.312 ( 1.585 -2.471 -1.186) 3.167 2.331 ( 2.554 -2.541 -0.150) 3.606 2.462 ( -1.409 2.051 -0.128) 2.491 2.504 ( -1.178 2.976 -0.125) 3.203 2.506 ( -1.516 1.773 1.577) 2.816 2.568 ( 0.344 -0.423 -0.429) 0.694 2.588 ( 1.540 4.697 -0.406) 4.959 2.612 ( -0.007 3.807 -0.498) 3.839 2.651 ( -0.122 -0.323 -2.018) 2.047 2.715 ( -1.159 -1.081 0.749) 1.753 2.764 ( -1.357 0.351 0.033) 1.402 2.785 ( -1.950 0.557 0.027) 2.028 2.835 ( 1.150 -4.323 -0.118) 4.474 2.878 ( 0.946 -2.334 -0.731) 2.623 3.076 ( -0.750 0.413 0.239) 0.889 3.092 ( -0.260 -0.132 0.255) 0.387 3.100 ( -0.071 -0.735 -0.339) 0.812 3.138 ( -1.093 0.077 0.235) 1.121 3.181 ( -1.461 3.225 0.747) 3.618 3.193 ( -1.447 -0.925 -0.459) 1.778 3.219 ( 2.011 -0.573 -0.282) 2.110 3.238 ( 1.456 2.144 -0.505) 2.641 3.264 ( 0.757 -0.224 0.634) 1.013 3.280 ( 2.048 -0.166 -0.314) 2.079 3.336 ( -0.714 -1.488 -0.812) 1.839 3.351 ( -0.934 -1.134 1.015) 1.785 3.425 ( -0.769 -2.807 -0.285) 2.925 3.440 ( -0.944 -1.155 0.580) 1.600 3.451 ( -0.020 -1.232 0.500) 1.330 3.500 ( 1.368 -1.544 -0.223) 2.075 3.838 ( 0.425 2.512 -0.366) 2.573 3.855 ( 0.980 0.962 -0.308) 1.407 3.863 ( -0.276 4.746 0.216) 4.759 3.901 ( -0.585 2.330 0.391) 2.434 3.940 ( -0.691 1.658 -0.147) 1.802 3.968 ( 0.557 -0.729 0.258) 0.953 4.173 ( -1.055 2.909 0.434) 3.124 4.201 ( -1.158 3.231 -0.429) 3.459 4.220 ( 0.794 3.699 -0.681) 3.844 4.244 ( -1.119 4.233 0.992) 4.490 4.537 ( 2.283 -2.310 0.411) 3.274 4.603 ( 2.169 0.843 -1.364) 2.697 4.674 ( -1.383 -0.201 -2.775) 3.107 4.703 ( -1.949 -6.387 0.195) 6.680 4.776 ( 4.524 -0.910 3.435) 5.753 4.822 ( 4.323 -5.361 0.523) 6.906 5.367 ( 0.278 0.662 0.220) 0.751 5.373 ( 0.271 1.056 0.140) 1.099 5.393 ( -0.785 0.135 -0.482) 0.931 5.405 ( -0.190 -0.332 0.298) 0.485 5.722 ( -0.810 -1.147 0.123) 1.409 5.737 ( -0.113 -1.213 0.545) 1.335 5.755 ( -1.605 -2.083 -0.287) 2.645 5.793 ( 0.181 -0.597 -0.328) 0.705 5.872 ( -0.254 4.305 0.558) 4.349 5.886 ( 0.263 3.029 -0.355) 3.061 5.894 ( -0.392 3.009 -0.043) 3.034 5.902 ( -0.223 2.062 0.398) 2.111 6.304 ( -0.264 2.014 -0.054) 2.032 6.309 ( -0.102 2.072 0.175) 2.082 6.314 ( 0.107 1.932 -0.243) 1.950 6.327 ( 0.178 2.125 0.276) 2.150 6.793 ( 0.200 -1.500 0.161) 1.522 6.799 ( 0.551 -1.816 -0.160) 1.905 6.819 ( -0.006 -1.701 0.040) 1.701 6.823 ( 0.183 -1.368 -0.044) 1.381 7.146 ( -0.177 1.111 0.169) 1.137 7.160 ( 0.383 1.245 -0.353) 1.350 7.169 ( -0.080 0.860 0.140) 0.875 7.181 ( 0.441 1.078 0.050) 1.166 7.404 ( -0.262 -2.140 -0.263) 2.172 7.414 ( 0.154 -2.440 0.165) 2.451 7.425 ( -0.544 -2.133 0.768) 2.331 7.450 ( 0.915 -2.213 -0.690) 2.492 7.575 ( -0.407 2.590 0.092) 2.623 7.579 ( -0.078 2.753 -0.165) 2.759 7.596 ( 0.081 2.712 0.011) 2.714 7.608 ( 0.419 3.413 -0.123) 3.441 7.954 ( -0.701 1.877 0.379) 2.039 7.979 ( 0.550 2.204 -0.778) 2.401 8.055 ( 0.744 -2.434 1.085) 2.767 8.069 ( 1.788 -1.948 -0.041) 2.644 8.323 ( -0.920 -0.968 1.623) 2.102 8.336 ( 0.517 -0.676 -0.916) 1.250 8.439 ( -0.193 -1.255 0.062) 1.271 8.447 ( 0.025 -1.283 0.407) 1.346 8.623 ( -0.562 -2.454 0.334) 2.540 8.654 ( 0.820 -2.600 -0.257) 2.738 8.717 ( -0.835 -3.121 -0.326) 3.247 8.743 ( 0.358 -3.058 -0.929) 3.216 12.289 ( 0.050 -0.565 -0.065) 0.571 12.296 ( 0.309 -0.619 0.004) 0.692 12.314 ( -0.146 -0.901 -0.026) 0.913 12.320 ( 0.065 -0.841 0.097) 0.849 12.461 ( -0.214 -0.907 0.053) 0.933 12.464 ( -0.009 -1.024 -0.050) 1.025 12.465 ( -0.020 -0.946 -0.010) 0.947 12.466 ( -0.011 -1.003 -0.044) 1.004 15.468 ( 0.088 1.776 -0.215) 1.791 15.472 ( 0.327 1.941 0.413) 2.011 15.490 ( -1.258 1.961 -0.121) 2.333 15.522 ( 0.007 2.585 -0.059) 2.586 15.707 ( -0.618 2.334 0.034) 2.415 15.715 ( 0.125 2.427 -0.436) 2.469 15.746 ( 0.475 0.221 0.551) 0.761 15.788 ( 3.017 0.210 -0.772) 3.122 15.987 ( -0.478 2.715 -0.591) 2.819 15.995 ( -1.079 1.839 0.070) 2.133 16.037 ( -1.468 4.800 -0.140) 5.021 16.049 ( -1.158 4.731 0.503) 4.896 16.331 ( -0.370 5.236 0.449) 5.269 16.335 ( -0.286 4.729 0.222) 4.743 16.442 ( -3.730 -2.993 0.937) 4.873 16.514 ( -3.445 -0.114 -2.479) 4.246 16.557 ( 0.339 -4.541 3.553) 5.776 16.641 ( -0.246 -4.429 0.102) 4.437 16.700 ( 3.762 -6.997 -0.010) 7.944 16.804 ( 6.679 -3.229 -5.514) 9.243 17.838 ( -2.378 -4.289 5.961) 7.719 17.945 ( 0.031 -4.328 -1.632) 4.625 17.956 ( -0.710 -5.383 2.932) 6.171 18.014 ( 6.259 -7.921 -0.911) 10.136======================= Grid point 41 (19/28) =======================q-point: (-0.50 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( -12.038 7.385 -1.011) 14.159 0.577 ( 7.304 4.683 -5.649) 10.354 0.638 ( -3.249 8.880 1.221) 9.535 0.707 ( 3.362 9.127 -2.463) 10.033 0.795 ( 2.063 7.797 1.258) 8.163 0.847 ( -1.178 2.335 -0.738) 2.717 0.866 ( -1.402 9.977 0.819) 10.108 0.896 ( 0.856 7.409 -0.766) 7.497 0.907 ( 0.338 3.312 1.144) 3.520 0.923 ( 0.331 4.470 -0.561) 4.517 0.959 ( -0.457 4.389 1.658) 4.714 0.973 ( 1.494 5.499 1.442) 5.878 1.028 ( 1.608 5.036 0.055) 5.287 1.064 ( -1.280 2.671 0.577) 3.017 1.101 ( -0.928 6.129 -0.197) 6.201 1.136 ( 1.682 5.515 -1.075) 5.865 1.153 ( -1.358 8.794 -2.265) 9.182 1.188 ( -0.124 4.826 -2.952) 5.659 1.260 ( -3.249 8.672 -0.204) 9.263 1.275 ( -0.302 4.958 -1.581) 5.212 1.309 ( -1.461 8.026 -1.000) 8.218 1.325 ( 4.423 6.491 -1.021) 7.921 1.383 ( 2.691 5.407 0.390) 6.052 1.401 ( -3.253 4.987 -0.585) 5.983 1.446 ( 0.877 4.216 1.387) 4.524 1.463 ( -0.488 3.487 -0.051) 3.521 1.502 ( -1.761 0.607 3.391) 3.869 1.519 ( 0.447 2.625 1.250) 2.941 1.533 ( 1.958 2.440 1.640) 3.532 1.567 ( 1.262 1.097 -0.726) 1.823 1.583 ( 0.078 0.409 -0.070) 0.422 1.605 ( 0.360 2.434 0.819) 2.593 1.612 ( 0.533 -0.174 -0.913) 1.071 1.646 ( -0.313 1.371 -2.072) 2.504 1.747 ( -0.874 3.295 2.117) 4.012 1.761 ( 2.506 1.076 5.003) 5.698 1.784 ( -0.239 2.555 1.177) 2.823 1.803 ( 0.012 -0.256 2.485) 2.499 1.830 ( 2.556 -1.448 0.894) 3.071 1.872 ( -2.418 2.730 5.012) 6.199 1.992 ( -1.178 -0.495 -5.040) 5.199 2.033 ( -0.095 -0.059 -3.051) 3.053 2.150 ( -1.693 1.961 1.871) 3.196 2.164 ( -0.742 4.794 0.202) 4.856 2.177 ( 0.088 2.320 1.216) 2.621 2.252 ( 1.282 -1.582 -4.329) 4.784 2.331 ( 0.472 -3.565 0.262) 3.606 2.345 ( 0.144 -2.727 -1.023) 2.916 2.444 ( -0.805 1.871 0.155) 2.043 2.461 ( -0.241 2.972 -1.074) 3.169 2.521 ( -0.383 1.061 1.712) 2.050 2.562 ( 0.169 -1.215 -1.328) 1.808 2.598 ( 0.377 3.377 -0.157) 3.402 2.608 ( 0.210 4.670 -1.047) 4.790 2.670 ( 1.160 0.203 0.780) 1.413 2.689 ( -0.747 0.989 -0.738) 1.443 2.758 ( 0.377 0.858 0.263) 0.974 2.763 ( -0.897 1.178 -0.154) 1.489 2.842 ( -0.292 -3.558 0.664) 3.631 2.869 ( 0.076 -2.417 -1.304) 2.747 3.080 ( 0.056 0.118 0.809) 0.819 3.094 ( -0.127 -0.521 0.543) 0.763 3.101 ( 0.521 -0.322 -0.836) 1.036 3.108 ( -0.897 -0.024 -0.619) 1.090 3.171 ( -0.965 2.422 0.706) 2.702 3.192 ( 1.585 0.826 -0.414) 1.835 3.225 ( -0.325 -0.464 -0.539) 0.782 3.235 ( 0.011 0.343 -0.850) 0.917 3.281 ( -0.586 0.362 0.623) 0.929 3.294 ( 0.393 0.598 -0.630) 0.954 3.333 ( -1.037 -0.788 0.456) 1.380 3.339 ( 0.801 -1.232 -0.082) 1.472 3.422 ( 0.211 -3.054 0.689) 3.138 3.436 ( -0.319 -2.568 -0.245) 2.599 3.469 ( 0.120 -1.182 1.708) 2.081 3.502 ( -0.084 -1.779 -1.043) 2.064 3.848 ( 0.439 1.641 -0.231) 1.715 3.850 ( -0.038 2.776 -0.382) 2.803 3.880 ( -0.249 4.077 0.382) 4.102 3.884 ( 0.176 2.570 0.061) 2.577 3.939 ( 0.347 0.362 0.933) 1.059 3.962 ( -0.406 -0.574 -0.944) 1.177 4.172 ( -0.165 3.014 0.726) 3.104 4.188 ( 0.283 3.102 -0.667) 3.186 4.227 ( -0.627 3.442 0.331) 3.514 4.233 ( 0.514 3.492 -0.223) 3.537 4.565 ( -1.085 -1.836 0.475) 2.184 4.593 ( 0.643 0.459 -1.990) 2.141 4.659 ( 1.946 -2.938 -0.051) 3.524 4.673 ( -0.909 -4.904 -1.003) 5.087 4.866 ( 0.233 -3.488 2.759) 4.453 4.880 ( -0.034 -4.325 1.205) 4.490 5.372 ( -0.607 0.569 0.140) 0.843 5.375 ( 0.253 0.896 -0.058) 0.933 5.393 ( 1.126 -0.236 0.643) 1.318 5.404 ( -0.527 -1.086 -0.116) 1.212 5.717 ( 0.044 -1.153 0.335) 1.201 5.728 ( -0.300 -1.556 -0.566) 1.683 5.754 ( 0.203 -1.607 1.323) 2.091 5.784 ( -0.014 -0.843 -1.070) 1.362 5.874 ( -0.631 3.788 0.555) 3.880 5.886 ( 0.199 2.369 -0.285) 2.394 5.893 ( -0.002 3.749 0.236) 3.756 5.897 ( 0.263 2.905 -0.213) 2.925 6.302 ( -0.071 1.885 0.113) 1.890 6.307 ( 0.111 1.823 -0.321) 1.855 6.317 ( 0.131 2.108 0.375) 2.145 6.325 ( -0.322 2.235 -0.166) 2.264 6.798 ( -0.141 -1.579 0.279) 1.610 6.803 ( 0.226 -1.918 -0.189) 1.940 6.819 ( -0.058 -1.627 0.077) 1.630 6.822 ( -0.014 -1.379 -0.185) 1.392 7.148 ( -0.024 1.076 0.273) 1.110 7.156 ( 0.091 1.091 -0.419) 1.172 7.176 ( 0.067 1.143 0.434) 1.224 7.183 ( -0.035 1.170 -0.201) 1.187 7.404 ( 0.080 -1.835 0.415) 1.883 7.414 ( -0.017 -2.111 -0.241) 2.125 7.430 ( -0.276 -2.225 0.863) 2.403 7.450 ( 0.407 -2.265 -0.891) 2.468 7.572 ( -0.077 2.595 0.083) 2.597 7.576 ( 0.052 2.704 -0.225) 2.714 7.601 ( 0.086 2.893 0.344) 2.915 7.609 ( 0.071 3.426 -0.310) 3.441 7.955 ( -0.030 1.443 0.643) 1.580 7.974 ( 0.227 1.642 -0.962) 1.917 8.076 ( -1.066 -3.622 1.428) 4.036 8.094 ( 1.357 -3.624 -0.006) 3.870 8.328 ( -1.144 -0.771 1.500) 2.038 8.347 ( 1.171 -0.837 -0.088) 1.442 8.444 ( 0.105 -1.217 0.626) 1.372 8.450 ( -0.334 -1.453 0.261) 1.514 8.631 ( -0.020 -2.183 1.184) 2.483 8.655 ( 0.171 -2.331 -0.656) 2.427 8.704 ( 0.197 -2.642 -0.342) 2.671 8.722 ( -0.347 -2.714 -1.983) 3.378 12.291 ( 0.124 -0.526 0.114) 0.552 12.296 ( -0.067 -0.564 -0.250) 0.620 12.316 ( 0.097 -0.915 0.240) 0.951 12.320 ( -0.140 -0.898 -0.082) 0.913 12.459 ( -0.034 -0.976 0.099) 0.981 12.462 ( 0.030 -1.054 -0.150) 1.065 12.465 ( -0.017 -0.971 0.030) 0.972 12.466 ( 0.040 -0.947 -0.052) 0.949 15.469 ( -0.372 1.643 0.003) 1.685 15.470 ( 0.066 1.492 -0.151) 1.501 15.493 ( 0.463 2.476 0.896) 2.673 15.513 ( -0.035 2.765 -0.785) 2.875 15.704 ( -0.150 2.219 0.266) 2.240 15.712 ( 0.342 2.647 -0.454) 2.707 15.763 ( -0.375 -0.193 1.435) 1.496 15.807 ( 1.217 -0.483 -2.033) 2.418 15.970 ( -1.655 2.192 0.267) 2.759 15.981 ( 1.488 2.759 -0.648) 3.202 16.030 ( -1.351 5.080 0.950) 5.342 16.045 ( 1.616 5.781 -0.186) 6.005 16.328 ( -1.571 5.197 0.736) 5.479 16.339 ( 1.592 4.784 -0.141) 5.044 16.415 ( -1.367 -1.454 1.007) 2.236 16.453 ( 0.509 -0.379 -2.389) 2.472 16.607 ( -1.187 -4.437 4.405) 6.365 16.658 ( 0.737 -5.530 0.838) 5.642 16.715 ( -1.451 -6.227 -0.417) 6.408 16.797 ( 3.939 -4.286 -7.167) 9.233 17.884 ( -0.867 -5.114 3.739) 6.394 17.934 ( 1.262 -4.238 -1.545) 4.684 17.987 ( -2.871 -8.522 5.835) 10.720 18.073 ( 0.719 -9.714 -0.677) 9.764======================= Grid point 42 (20/28) =======================q-point: (-0.25 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( -9.219 7.857 8.298) 14.683 0.529 ( -13.242 9.829 4.445) 17.080 0.691 ( 3.513 5.470 -0.068) 6.501 0.714 ( 2.000 11.254 0.148) 11.431 0.751 ( -5.772 4.799 -2.860) 8.033 0.796 ( 0.191 10.314 -0.892) 10.354 0.857 ( -5.114 7.993 1.693) 9.639 0.878 ( -0.431 9.457 -2.307) 9.743 0.898 ( -1.242 4.231 -0.228) 4.415 0.925 ( 0.608 4.708 -1.215) 4.900 0.950 ( -1.571 3.304 0.324) 3.673 0.974 ( -0.790 4.000 -0.340) 4.091 1.010 ( -1.159 5.629 1.039) 5.840 1.023 ( 1.835 5.419 -1.267) 5.860 1.084 ( -2.333 4.665 2.190) 5.657 1.129 ( 1.307 5.932 -1.365) 6.226 1.165 ( -0.122 5.496 3.228) 6.375 1.184 ( 1.678 8.121 0.119) 8.294 1.203 ( -0.093 7.057 -1.727) 7.265 1.245 ( -1.476 10.053 1.799) 10.319 1.302 ( -1.523 5.926 1.688) 6.347 1.333 ( -1.939 6.379 -1.844) 6.917 1.391 ( 1.321 4.778 -0.637) 4.998 1.408 ( -1.361 6.565 -0.340) 6.714 1.449 ( 0.605 0.240 0.424) 0.777 1.488 ( 0.126 0.472 0.439) 0.656 1.509 ( -0.831 0.636 0.861) 1.355 1.519 ( -0.108 3.833 -0.311) 3.848 1.526 ( -2.343 0.768 -0.294) 2.483 1.576 ( -0.776 0.689 -0.624) 1.211 1.605 ( 1.113 0.718 -0.944) 1.626 1.628 ( 1.262 1.522 -0.246) 1.993 1.642 ( 6.548 1.419 -1.615) 6.892 1.694 ( 3.932 0.580 -2.094) 4.492 1.770 ( 2.206 3.640 -0.302) 4.267 1.778 ( 1.008 2.246 -1.328) 2.797 1.789 ( 0.956 1.030 -3.832) 4.081 1.829 ( 0.093 0.929 -1.815) 2.041 1.842 ( 0.836 0.942 -3.071) 3.320 1.928 ( 2.357 0.819 5.034) 5.619 1.983 ( -0.568 0.489 2.921) 3.016 2.001 ( 0.638 -0.433 -0.085) 0.776 2.141 ( -0.910 3.576 0.147) 3.693 2.171 ( 0.056 3.825 0.741) 3.896 2.195 ( -1.251 0.170 3.885) 4.084 2.231 ( 1.957 -1.559 -2.596) 3.605 2.300 ( -3.220 -3.254 -0.517) 4.607 2.325 ( -2.144 -3.138 0.111) 3.802 2.460 ( 1.442 0.937 0.046) 1.720 2.481 ( 2.440 3.044 1.490) 4.176 2.529 ( -0.829 1.849 0.788) 2.175 2.546 ( -0.117 0.426 -0.372) 0.578 2.583 ( -0.201 4.270 -0.012) 4.275 2.595 ( -0.032 3.193 0.211) 3.200 2.643 ( -1.977 2.190 -1.149) 3.166 2.725 ( 2.421 -0.418 0.114) 2.459 2.758 ( 0.633 0.473 0.597) 0.991 2.780 ( 1.092 0.806 0.414) 1.420 2.837 ( -1.412 -3.449 -0.530) 3.764 2.848 ( -1.405 -2.254 1.147) 2.893 3.085 ( 0.629 -0.000 -0.420) 0.757 3.088 ( 0.168 -0.226 0.642) 0.701 3.104 ( 0.248 0.616 -0.709) 0.971 3.129 ( 1.068 -1.349 0.975) 1.977 3.182 ( 1.408 -0.218 0.548) 1.527 3.204 ( 1.252 3.542 -1.078) 3.908 3.215 ( -0.441 -1.753 0.105) 1.811 3.232 ( -1.184 1.979 -0.154) 2.311 3.265 ( -0.500 0.503 0.442) 0.836 3.280 ( -1.187 0.033 -0.176) 1.201 3.323 ( -0.144 -0.966 0.356) 1.039 3.366 ( 1.335 -1.153 -0.219) 1.777 3.425 ( 0.153 -2.860 -0.199) 2.871 3.442 ( 0.650 -2.157 0.239) 2.266 3.471 ( -0.657 -1.273 -0.445) 1.500 3.489 ( -0.710 -1.313 0.350) 1.533 3.835 ( -0.212 2.750 -0.200) 2.765 3.853 ( -0.269 0.220 -0.106) 0.363 3.866 ( -0.091 4.666 -0.125) 4.669 3.902 ( -0.030 1.657 0.363) 1.696 3.944 ( -0.208 0.899 -0.289) 0.967 3.974 ( 1.860 0.447 -0.189) 1.922 4.187 ( 0.851 3.160 0.722) 3.351 4.189 ( 1.179 2.898 -0.798) 3.229 4.215 ( -0.770 3.265 -0.158) 3.359 4.263 ( 3.843 4.807 -0.306) 6.162 4.535 ( -2.112 -0.808 0.526) 2.322 4.607 ( 0.195 -1.932 -1.126) 2.244 4.627 ( -1.453 -0.495 -0.086) 1.537 4.700 ( 2.172 -5.365 0.198) 5.791 4.830 ( -6.310 -5.188 0.490) 8.184 4.843 ( -4.795 -3.853 -1.344) 6.296 5.371 ( -0.078 1.088 0.162) 1.102 5.381 ( -0.883 0.549 -0.448) 1.132 5.386 ( 0.707 -0.019 -0.059) 0.710 5.410 ( 0.362 -0.878 -0.029) 0.950 5.729 ( 0.952 -1.315 -0.432) 1.679 5.739 ( 1.568 -1.558 0.779) 2.344 5.763 ( -0.325 -1.485 -1.457) 2.105 5.776 ( 0.089 -1.465 1.194) 1.892 5.865 ( -0.946 3.320 0.656) 3.514 5.884 ( 0.136 2.914 -0.157) 2.921 5.898 ( 0.420 3.162 -0.107) 3.192 5.922 ( 2.181 3.331 -0.706) 4.043 6.305 ( 0.134 1.856 0.095) 1.864 6.306 ( 0.223 1.836 -0.074) 1.851 6.317 ( -0.175 2.218 -0.270) 2.241 6.325 ( -0.108 1.924 0.464) 1.983 6.795 ( -0.445 -1.684 0.128) 1.747 6.799 ( -0.330 -1.800 -0.263) 1.848 6.819 ( -0.131 -1.491 0.062) 1.498 6.821 ( 0.028 -1.424 0.032) 1.425 7.148 ( -0.056 1.052 0.103) 1.059 7.157 ( 0.129 1.139 -0.207) 1.165 7.173 ( -0.425 0.866 -0.099) 0.969 7.182 ( -0.206 1.059 0.026) 1.079 7.409 ( 0.090 -1.767 -0.547) 1.852 7.413 ( 0.186 -2.126 0.365) 2.165 7.433 ( -0.679 -2.273 0.458) 2.416 7.443 ( 0.249 -2.320 -0.631) 2.417 7.574 ( 0.097 2.814 0.169) 2.820 7.577 ( 0.397 2.562 -0.062) 2.593 7.602 ( -0.250 3.007 -0.490) 3.057 7.605 ( -0.190 2.975 0.219) 2.989 7.963 ( -0.313 1.468 0.539) 1.595 7.971 ( 1.498 1.889 -0.940) 2.588 8.064 ( -1.513 -2.047 0.441) 2.584 8.095 ( -1.094 -4.425 -1.556) 4.817 8.322 ( -1.265 -0.564 0.554) 1.492 8.358 ( 1.067 -1.465 -1.053) 2.096 8.442 ( -0.484 -1.441 -0.048) 1.521 8.453 ( -0.090 -1.519 0.145) 1.529 8.642 ( -0.323 -2.385 0.253) 2.420 8.643 ( -0.037 -2.055 -0.871) 2.232 8.696 ( -0.137 -2.739 0.741) 2.841 8.716 ( 0.320 -2.336 0.868) 2.513 12.290 ( -0.102 -0.565 -0.158) 0.596 12.295 ( 0.042 -0.529 0.076) 0.536 12.314 ( -0.196 -1.001 -0.064) 1.022 12.320 ( 0.024 -0.862 0.106) 0.869 12.462 ( 0.089 -1.021 0.080) 1.028 12.463 ( 0.177 -0.932 -0.068) 0.951 12.465 ( 0.006 -0.947 0.021) 0.947 12.466 ( 0.006 -1.014 -0.033) 1.015 15.461 ( -0.406 1.270 0.242) 1.355 15.478 ( 0.423 2.044 0.103) 2.089 15.490 ( -0.269 2.044 -0.271) 2.080 15.530 ( 1.967 1.945 -0.456) 2.804 15.703 ( -0.072 1.714 0.160) 1.723 15.714 ( 0.380 2.464 -0.286) 2.509 15.754 ( -2.230 -0.238 0.291) 2.261 15.794 ( 0.669 1.228 -1.610) 2.133 15.959 ( -0.333 1.997 0.946) 2.235 16.005 ( 1.438 2.673 -0.484) 3.073 16.022 ( -0.390 4.662 0.608) 4.718 16.095 ( 4.918 4.787 -2.083) 7.172 16.317 ( -0.667 3.521 0.496) 3.618 16.380 ( 2.161 5.675 -2.170) 6.449 16.439 ( 5.540 2.265 3.158) 6.767 16.464 ( 2.355 -2.051 -0.189) 3.129 16.629 ( -2.951 -3.799 3.124) 5.736 16.648 ( -0.315 -6.114 -2.404) 6.577 16.674 ( -2.369 -3.591 -0.685) 4.356 16.755 ( -0.835 -4.716 -3.255) 5.791 17.907 ( -0.584 -4.767 1.737) 5.107 17.939 ( 2.608 -4.637 -2.619) 5.930 17.976 ( -9.799 -13.195 4.650) 17.081 18.033 ( -1.362 -7.224 -2.870) 7.892======================= Grid point 43 (21/28) =======================q-point: ( 0.00 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 1.296 10.397 6.759) 12.468 0.678 ( -2.245 10.248 2.994) 10.910 0.764 ( 0.412 6.300 -2.400) 6.754 0.813 ( 1.828 5.052 -4.257) 6.854 0.844 ( -1.786 4.091 1.192) 4.620 0.885 ( 0.851 2.450 -1.747) 3.127 0.929 ( -0.389 2.014 0.333) 2.078 0.939 ( -0.035 1.553 -0.731) 1.717 0.958 ( 0.519 0.604 0.603) 0.999 0.988 ( -0.195 2.885 -1.372) 3.201 1.067 ( 0.878 1.994 3.326) 3.976 1.126 ( 1.623 8.296 -0.758) 8.487 1.171 ( 0.349 1.705 1.209) 2.119 1.198 ( -0.637 2.684 -0.221) 2.768 1.239 ( -0.952 6.211 0.227) 6.288 1.279 ( 0.704 7.018 -0.902) 7.110 1.316 ( -1.007 6.894 2.576) 7.428 1.360 ( -0.487 3.214 0.150) 3.254 1.369 ( -0.309 7.234 -0.180) 7.242 1.405 ( -0.840 4.170 1.268) 4.439 1.442 ( 0.564 3.143 0.145) 3.197 1.454 ( -0.492 3.945 0.557) 4.014 1.468 ( -0.493 11.090 1.327) 11.180 1.480 ( 1.669 3.308 0.392) 3.726 1.505 ( -1.198 2.864 -0.256) 3.115 1.518 ( -1.481 3.894 -1.075) 4.302 1.546 ( 0.260 4.009 -1.536) 4.301 1.572 ( 2.003 3.514 0.521) 4.079 1.582 ( -0.714 7.661 0.075) 7.694 1.609 ( -0.083 1.660 -1.889) 2.516 1.649 ( 0.986 3.812 -1.262) 4.135 1.665 ( -1.680 5.613 -1.716) 6.105 1.702 ( 1.591 1.290 -0.525) 2.114 1.735 ( -0.092 3.979 -1.702) 4.329 1.773 ( -1.111 4.103 -1.003) 4.368 1.800 ( 0.293 3.545 -3.315) 4.862 1.899 ( 1.325 1.062 1.223) 2.093 1.905 ( -0.452 1.577 0.222) 1.655 1.947 ( 0.260 3.814 1.351) 4.054 1.981 ( -1.149 2.776 -1.380) 3.306 2.023 ( 0.695 4.767 1.125) 4.947 2.042 ( -0.273 2.024 0.220) 2.054 2.139 ( -0.659 -2.631 0.633) 2.785 2.164 ( 0.204 -1.474 -1.376) 2.027 2.193 ( -0.538 0.342 0.997) 1.183 2.224 ( 0.445 -0.780 -1.665) 1.891 2.246 ( 0.675 -1.524 1.728) 2.400 2.270 ( 0.285 -0.805 -0.135) 0.864 2.525 ( 0.158 3.278 1.076) 3.453 2.549 ( -0.971 2.453 -0.749) 2.743 2.601 ( 0.317 1.757 1.734) 2.489 2.618 ( 0.058 3.824 0.100) 3.825 2.631 ( -0.154 0.873 1.927) 2.121 2.677 ( 0.049 0.821 -0.438) 0.932 2.689 ( 0.672 4.018 -0.618) 4.120 2.717 ( -0.047 1.910 -2.352) 3.030 2.780 ( 0.485 1.355 1.131) 1.830 2.792 ( -0.393 0.759 0.353) 0.925 2.813 ( 0.247 0.954 0.401) 1.064 2.821 ( -0.461 0.341 -0.163) 0.596 3.063 ( 0.231 -1.918 0.005) 1.932 3.069 ( -0.652 -2.204 -0.448) 2.342 3.108 ( -0.413 -1.204 0.479) 1.360 3.114 ( 0.798 -1.008 -0.030) 1.286 3.168 ( 0.191 -1.537 0.091) 1.552 3.175 ( -0.276 -1.812 -0.461) 1.890 3.203 ( 0.511 -1.287 1.087) 1.761 3.225 ( -0.493 -1.351 -0.682) 1.592 3.276 ( -0.107 0.862 0.789) 1.173 3.303 ( -0.146 0.425 -1.347) 1.420 3.309 ( 0.586 -1.081 1.223) 1.734 3.336 ( -0.392 -1.397 -1.048) 1.789 3.417 ( -0.688 0.996 0.244) 1.235 3.424 ( 0.961 1.037 -0.549) 1.517 3.458 ( -1.174 0.256 0.551) 1.322 3.466 ( 0.746 -0.093 -0.139) 0.765 3.869 ( -0.376 1.325 0.377) 1.428 3.876 ( 0.509 1.527 -0.163) 1.618 3.932 ( 0.946 1.291 0.778) 1.780 3.951 ( -0.725 1.011 -0.759) 1.457 3.988 ( -0.631 5.015 0.942) 5.142 4.013 ( 0.445 3.829 -1.210) 4.040 4.249 ( -0.827 1.572 0.126) 1.781 4.255 ( 0.550 1.789 -0.342) 1.902 4.299 ( 1.239 3.053 1.445) 3.598 4.343 ( -1.332 1.680 -2.521) 3.310 4.476 ( -2.445 -5.778 1.033) 6.359 4.486 ( 3.056 -5.933 0.275) 6.679 4.671 ( -1.342 -0.063 0.305) 1.378 4.675 ( 0.650 0.253 0.355) 0.783 4.684 ( 0.964 1.065 1.887) 2.372 4.745 ( -0.631 -0.765 -2.704) 2.880 5.381 ( 0.101 0.251 -0.088) 0.284 5.386 ( -0.324 0.193 -0.539) 0.658 5.405 ( 0.096 0.606 0.500) 0.792 5.410 ( 0.113 0.476 0.079) 0.496 5.702 ( -0.185 -1.753 -0.285) 1.786 5.702 ( -0.014 -1.696 -0.309) 1.724 5.730 ( 0.439 -2.516 0.452) 2.594 5.731 ( -0.225 -2.543 0.308) 2.571 5.960 ( 0.085 4.479 0.628) 4.524 5.965 ( -0.013 3.874 0.494) 3.905 5.974 ( 0.057 3.892 -0.527) 3.928 5.983 ( -0.245 3.260 -1.002) 3.419 6.355 ( 0.193 2.350 0.190) 2.366 6.359 ( 0.333 2.105 0.227) 2.143 6.361 ( -0.266 2.268 -0.128) 2.287 6.364 ( -0.322 2.075 -0.083) 2.102 6.751 ( 0.048 -1.947 0.171) 1.956 6.755 ( -0.049 -1.878 -0.164) 1.886 6.778 ( 0.103 -2.236 0.084) 2.240 6.780 ( -0.130 -2.217 -0.132) 2.225 7.175 ( -0.323 1.218 0.311) 1.298 7.183 ( 0.495 1.045 -0.366) 1.213 7.190 ( 0.222 0.891 0.153) 0.931 7.193 ( -0.294 0.826 -0.083) 0.881 7.361 ( -0.121 -2.086 -0.242) 2.103 7.363 ( 0.071 -2.077 -0.399) 2.116 7.380 ( -0.320 -2.246 0.424) 2.308 7.388 ( 0.344 -2.656 -0.214) 2.686 7.645 ( -0.068 3.277 0.052) 3.279 7.646 ( 0.018 3.215 -0.018) 3.215 7.664 ( -0.491 2.908 0.061) 2.950 7.665 ( 0.627 2.930 -0.004) 2.996 7.998 ( -0.435 1.363 0.781) 1.630 8.019 ( 0.090 0.358 -0.892) 0.966 8.021 ( 0.251 -0.676 0.315) 0.787 8.033 ( 0.272 -0.315 -0.645) 0.768 8.306 ( -0.563 -0.041 0.526) 0.772 8.325 ( 0.378 -0.732 -1.002) 1.297 8.404 ( 0.119 -1.936 0.302) 1.964 8.412 ( -0.142 -1.997 -0.375) 2.037 8.580 ( -0.773 -2.285 0.082) 2.413 8.586 ( 0.629 -2.336 -0.564) 2.484 8.646 ( 0.594 -3.943 1.027) 4.118 8.656 ( -0.333 -3.838 0.054) 3.853 12.276 ( 0.098 -0.588 0.010) 0.596 12.278 ( -0.089 -0.622 -0.192) 0.657 12.295 ( 0.138 -0.981 0.199) 1.011 12.297 ( -0.139 -1.079 -0.042) 1.088 12.440 ( 0.035 -1.165 0.052) 1.167 12.441 ( -0.062 -1.181 -0.031) 1.183 12.442 ( -0.030 -1.119 0.061) 1.121 12.443 ( 0.077 -1.111 -0.014) 1.114 15.468 ( 0.298 -1.141 0.819) 1.436 15.484 ( -0.471 -1.724 0.081) 1.789 15.497 ( -0.015 -1.342 0.055) 1.343 15.516 ( 0.325 -2.275 -0.891) 2.464 15.761 ( -0.368 3.210 0.960) 3.370 15.779 ( -0.401 2.892 1.435) 3.253 15.785 ( 0.475 3.850 -0.666) 3.936 15.829 ( 0.635 3.040 -2.351) 3.895 16.025 ( -0.655 2.389 2.166) 3.291 16.065 ( 0.468 2.687 -1.200) 2.979 16.098 ( -0.612 1.795 1.016) 2.152 16.134 ( 0.743 0.975 -2.192) 2.512 16.366 ( 1.032 -4.310 2.122) 4.914 16.384 ( -2.055 -4.162 2.006) 5.057 16.434 ( 0.802 -2.447 -1.635) 3.050 16.449 ( -0.501 -3.864 -3.107) 4.984 16.507 ( -0.137 -0.114 2.334) 2.341 16.569 ( -0.671 1.888 -2.320) 3.065 16.661 ( -3.389 0.286 0.968) 3.536 16.707 ( 5.762 0.206 -2.103) 6.137 17.738 ( -4.620 -4.150 4.133) 7.460 17.813 ( -0.577 -5.776 1.806) 6.079 17.828 ( 3.211 -5.674 -3.297) 7.306 17.858 ( 0.444 -5.852 -1.821) 6.145======================= Grid point 44 (22/28) =======================q-point: ( 0.25 0.29 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 0.816 5.367 -2.110) 5.824 0.751 ( 2.459 5.507 2.343) 6.471 0.762 ( 0.956 6.422 0.317) 6.500 0.808 ( 4.908 7.140 -2.317) 8.969 0.853 ( -0.196 3.789 0.274) 3.804 0.905 ( 2.053 1.823 -0.419) 2.777 0.936 ( 0.262 1.871 0.554) 1.969 0.941 ( -1.004 1.271 0.126) 1.625 0.954 ( 1.214 2.129 -0.550) 2.511 1.001 ( 4.432 5.274 1.158) 6.986 1.069 ( -1.617 5.060 -3.721) 6.486 1.106 ( -0.666 3.442 -2.342) 4.216 1.173 ( -1.096 5.241 0.051) 5.355 1.194 ( 0.148 0.984 3.557) 3.694 1.235 ( -1.761 5.557 0.458) 5.847 1.273 ( -0.112 7.614 0.232) 7.618 1.311 ( -3.024 5.913 -2.480) 7.090 1.364 ( 2.103 4.398 2.793) 5.619 1.375 ( 0.976 4.027 1.147) 4.299 1.416 ( -2.416 3.465 -0.654) 4.275 1.426 ( -2.429 -0.448 0.194) 2.478 1.463 ( 0.145 4.472 -0.130) 4.476 1.475 ( 1.453 5.242 -1.323) 5.598 1.494 ( 2.348 9.584 -0.434) 9.877 1.525 ( 1.016 2.311 -0.087) 2.526 1.533 ( 2.274 3.865 1.207) 4.644 1.549 ( 1.696 5.487 1.800) 6.019 1.563 ( 0.453 4.111 -1.045) 4.266 1.583 ( -1.638 5.074 -0.390) 5.346 1.624 ( 1.262 3.250 0.546) 3.529 1.625 ( 1.851 5.139 0.428) 5.479 1.664 ( -1.186 1.571 0.221) 1.980 1.698 ( 0.150 4.702 -1.375) 4.901 1.734 ( 0.826 4.125 0.853) 4.292 1.765 ( -0.438 4.760 1.136) 4.914 1.779 ( 0.175 4.433 1.352) 4.638 1.853 ( -5.115 5.580 -1.699) 7.758 1.876 ( -3.441 4.392 0.639) 5.616 1.919 ( -2.240 5.945 0.093) 6.354 1.940 ( -1.847 3.489 1.372) 4.179 2.030 ( -0.095 -0.206 -1.440) 1.458 2.075 ( 1.194 0.711 -0.858) 1.633 2.146 ( -0.769 -0.282 3.164) 3.268 2.181 ( 3.136 -1.430 -1.085) 3.614 2.202 ( 0.727 -1.282 0.123) 1.479 2.221 ( 0.619 -1.214 -0.348) 1.407 2.253 ( -0.305 -2.577 -1.474) 2.984 2.270 ( 0.288 -1.857 -0.118) 1.883 2.511 ( -1.851 2.108 -0.463) 2.844 2.547 ( 0.001 3.363 1.128) 3.547 2.588 ( -2.305 3.093 -0.962) 3.975 2.606 ( -1.015 3.743 0.142) 3.881 2.647 ( 0.616 1.025 -0.420) 1.267 2.688 ( 0.930 2.655 0.179) 2.819 2.707 ( 2.389 3.062 0.014) 3.883 2.717 ( 1.560 1.578 -0.089) 2.220 2.772 ( -1.424 0.230 0.119) 1.447 2.787 ( -0.195 2.055 -0.350) 2.094 2.815 ( -0.131 1.846 -0.034) 1.851 2.839 ( 0.826 -0.682 0.015) 1.071 3.059 ( -0.062 -2.147 0.009) 2.148 3.068 ( -0.245 -1.516 0.174) 1.546 3.090 ( -0.553 -0.320 0.379) 0.743 3.124 ( -0.477 -1.311 -0.427) 1.459 3.160 ( -0.467 -1.875 0.153) 1.938 3.189 ( 1.932 -0.748 -0.360) 2.103 3.225 ( 1.501 -1.419 -0.633) 2.160 3.243 ( 1.408 -1.578 0.791) 2.258 3.277 ( -0.434 0.960 0.365) 1.116 3.286 ( -0.095 0.204 -0.400) 0.460 3.312 ( -0.503 -0.847 -0.693) 1.204 3.330 ( -0.356 -1.212 0.883) 1.541 3.396 ( -1.849 1.042 0.277) 2.140 3.425 ( -0.281 0.548 -0.694) 0.928 3.442 ( -0.922 0.376 0.756) 1.250 3.474 ( 0.284 -0.583 -0.131) 0.661 3.865 ( -0.175 1.176 0.137) 1.197 3.884 ( 0.830 0.859 -0.465) 1.282 3.920 ( -1.104 1.128 -0.574) 1.680 3.950 ( -0.244 0.528 0.335) 0.672 3.985 ( -0.821 4.220 0.613) 4.342 4.012 ( 0.069 4.480 -0.267) 4.489 4.233 ( -0.881 2.100 0.393) 2.311 4.258 ( -0.292 1.621 -0.282) 1.671 4.297 ( 0.017 3.253 -0.871) 3.368 4.322 ( -1.360 2.867 1.074) 3.351 4.458 ( 0.071 -5.003 0.188) 5.007 4.521 ( 1.029 -7.715 -0.740) 7.818 4.650 ( -0.847 1.521 -0.132) 1.746 4.679 ( -0.386 0.814 -0.732) 1.161 4.736 ( 3.168 -2.242 -0.919) 3.989 4.758 ( 2.622 -1.175 2.274) 3.664 5.375 ( -0.344 0.302 0.109) 0.471 5.389 ( 0.348 0.044 0.298) 0.460 5.400 ( -0.587 0.650 -0.219) 0.903 5.408 ( -0.231 0.586 -0.147) 0.647 5.692 ( -0.590 -1.523 0.092) 1.635 5.703 ( -0.084 -1.788 0.317) 1.818 5.709 ( -1.230 -1.973 -0.171) 2.331 5.748 ( 0.546 -2.871 -0.337) 2.942 5.962 ( -0.215 4.041 -0.044) 4.047 5.966 ( -0.147 4.035 -0.409) 4.059 5.972 ( 0.065 4.029 0.077) 4.030 5.976 ( -0.112 3.901 0.629) 3.953 6.353 ( -0.231 2.356 -0.165) 2.373 6.358 ( -0.124 2.270 -0.154) 2.279 6.361 ( 0.077 2.288 0.112) 2.292 6.371 ( 0.343 1.931 0.213) 1.972 6.754 ( 0.242 -1.924 -0.110) 1.942 6.756 ( 0.244 -1.971 0.113) 1.989 6.775 ( -0.089 -2.256 0.043) 2.258 6.784 ( 0.286 -2.188 -0.006) 2.206 7.172 ( -0.243 1.124 0.180) 1.164 7.180 ( -0.180 0.705 -0.254) 0.771 7.195 ( 0.562 1.239 -0.071) 1.362 7.202 ( 0.627 0.865 0.028) 1.068 7.357 ( -0.140 -2.135 0.154) 2.145 7.365 ( 0.295 -1.975 0.059) 1.998 7.377 ( -0.373 -2.236 0.211) 2.276 7.395 ( 0.565 -2.818 -0.254) 2.885 7.639 ( -0.479 3.198 0.034) 3.234 7.646 ( -0.024 3.330 -0.056) 3.330 7.659 ( 0.088 2.937 0.136) 2.941 7.680 ( 0.841 2.993 -0.233) 3.117 7.986 ( -1.025 0.883 -0.040) 1.354 8.012 ( -0.267 0.205 0.700) 0.777 8.020 ( -0.662 -0.285 -0.876) 1.135 8.031 ( 0.125 -1.304 0.085) 1.313 8.310 ( -0.192 0.011 0.882) 0.902 8.325 ( 0.938 -0.162 -0.483) 1.067 8.407 ( 0.118 -1.819 -0.080) 1.824 8.414 ( 0.276 -1.819 0.192) 1.850 8.573 ( -0.276 -2.000 0.498) 2.080 8.596 ( 0.826 -2.561 -0.178) 2.697 8.641 ( -0.565 -3.777 -0.406) 3.841 8.664 ( 0.359 -4.147 -0.249) 4.170 12.277 ( 0.152 -0.504 -0.053) 0.529 12.281 ( 0.289 -0.704 0.065) 0.764 12.294 ( -0.121 -0.939 -0.087) 0.951 12.298 ( 0.036 -1.108 0.072) 1.111 12.438 ( -0.170 -1.125 -0.004) 1.137 12.439 ( -0.109 -1.137 0.025) 1.143 12.441 ( -0.077 -1.180 -0.043) 1.183 12.443 ( 0.030 -1.132 -0.031) 1.133 15.472 ( 0.004 -1.304 -0.690) 1.475 15.486 ( -0.077 -0.814 0.847) 1.177 15.490 ( -0.395 -1.751 -0.122) 1.799 15.520 ( 0.754 -2.280 -0.268) 2.416 15.770 ( -0.169 3.440 0.547) 3.487 15.782 ( 0.548 3.377 -0.735) 3.499 15.792 ( -0.516 3.304 0.672) 3.412 15.813 ( 0.787 2.230 -0.855) 2.515 16.039 ( -1.107 2.474 1.493) 3.095 16.051 ( 0.424 3.084 -1.605) 3.502 16.097 ( -1.127 1.569 1.226) 2.288 16.122 ( 0.561 2.252 -0.853) 2.473 16.355 ( -1.269 -4.510 -0.167) 4.688 16.399 ( -0.950 -4.226 -0.324) 4.344 16.424 ( 0.137 -4.005 2.506) 4.726 16.448 ( 1.582 0.223 -0.924) 1.846 16.525 ( -0.459 2.645 -0.002) 2.684 16.555 ( 0.421 -1.434 0.568) 1.598 16.615 ( -2.885 0.993 1.150) 3.260 16.743 ( 3.382 -2.043 -3.669) 5.392 17.741 ( -2.423 -4.254 4.220) 6.463 17.826 ( -1.168 -6.289 2.019) 6.708 17.838 ( 0.652 -5.344 -1.472) 5.581 17.851 ( 3.963 -6.856 -2.748) 8.382======================= Grid point 45 (23/28) =======================q-point: (-0.50 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 0.703 6.843 0.066) 6.880 0.738 ( -2.536 10.196 -2.912) 10.903 0.771 ( -1.719 4.130 0.726) 4.532 0.810 ( 1.378 4.906 -1.202) 5.235 0.898 ( 2.668 3.155 0.397) 4.151 0.914 ( 0.043 2.120 -0.074) 2.121 0.932 ( -0.715 0.524 -0.029) 0.887 0.937 ( -0.037 0.072 0.386) 0.394 0.999 ( 1.230 1.081 -0.963) 1.900 1.010 ( 1.387 3.499 0.493) 3.796 1.031 ( -1.401 1.330 -3.354) 3.870 1.053 ( -2.475 6.317 -2.008) 7.076 1.184 ( 1.547 4.643 2.685) 5.582 1.218 ( -0.762 4.573 0.223) 4.641 1.265 ( 0.140 6.758 2.563) 7.229 1.286 ( 1.148 6.200 2.974) 6.971 1.290 ( 1.358 9.709 0.483) 9.816 1.334 ( -1.519 5.411 -2.089) 5.996 1.402 ( -1.550 3.259 -2.124) 4.187 1.409 ( -0.334 2.530 -1.521) 2.971 1.422 ( 1.112 0.659 1.325) 1.851 1.448 ( 0.310 3.622 2.501) 4.413 1.451 ( -1.212 1.724 -1.101) 2.377 1.483 ( -0.781 2.905 -0.556) 3.059 1.519 ( -0.535 2.006 -1.605) 2.624 1.528 ( -0.063 5.879 -2.384) 6.344 1.557 ( -0.720 4.729 0.988) 4.884 1.586 ( 0.225 4.945 -0.959) 5.042 1.624 ( -0.665 2.383 1.008) 2.672 1.635 ( 1.216 3.268 0.277) 3.498 1.647 ( -0.771 4.366 2.218) 4.957 1.683 ( 2.429 7.171 -0.338) 7.579 1.700 ( -2.973 5.922 1.191) 6.732 1.742 ( 2.601 7.795 -1.778) 8.408 1.782 ( 1.940 2.610 3.318) 4.646 1.806 ( -0.662 2.466 0.947) 2.723 1.828 ( 1.889 4.463 2.328) 5.376 1.867 ( -0.442 4.774 -0.298) 4.804 1.893 ( 1.303 7.388 2.045) 7.776 1.953 ( -1.177 3.675 2.210) 4.447 1.996 ( -0.604 0.771 -3.721) 3.848 2.035 ( -0.821 0.238 -1.917) 2.099 2.172 ( -1.722 1.556 3.176) 3.934 2.211 ( 0.047 -2.426 -0.283) 2.443 2.221 ( 0.785 -0.222 0.280) 0.863 2.227 ( 0.382 -0.821 -0.113) 0.913 2.236 ( 0.801 -3.341 -1.189) 3.636 2.258 ( 0.400 -2.610 -1.783) 3.186 2.482 ( -0.649 1.886 -0.049) 1.995 2.511 ( -0.645 2.575 -2.368) 3.557 2.583 ( 0.567 4.399 1.033) 4.554 2.595 ( -0.520 3.899 -0.054) 3.933 2.663 ( 0.086 0.856 1.330) 1.584 2.706 ( -1.123 1.948 -1.013) 2.466 2.716 ( 1.107 3.620 -0.044) 3.786 2.736 ( 1.144 3.159 -0.886) 3.474 2.764 ( -0.448 -0.893 0.874) 1.327 2.790 ( 0.043 1.325 -0.720) 1.509 2.805 ( -0.076 2.250 1.019) 2.471 2.832 ( -0.473 0.692 -1.001) 1.306 3.061 ( 0.088 -1.714 0.083) 1.718 3.064 ( -0.272 -1.354 -0.200) 1.396 3.092 ( -0.228 -0.422 0.817) 0.947 3.110 ( 0.269 -0.745 -0.686) 1.048 3.167 ( 0.256 -1.051 0.962) 1.448 3.199 ( -0.333 -0.927 -1.771) 2.027 3.234 ( 0.622 -0.553 0.749) 1.120 3.248 ( -0.748 -0.322 -0.377) 0.898 3.282 ( -0.464 0.046 0.557) 0.727 3.294 ( 0.844 -0.646 -0.622) 1.231 3.314 ( 1.014 -1.087 0.377) 1.533 3.317 ( -1.147 -1.091 0.055) 1.584 3.383 ( -0.115 0.519 0.882) 1.030 3.406 ( 0.027 0.370 -1.048) 1.112 3.452 ( -0.025 -0.032 1.120) 1.121 3.471 ( -0.025 -0.748 -0.536) 0.921 3.868 ( -0.214 0.787 0.377) 0.899 3.884 ( 0.319 1.012 -1.034) 1.482 3.919 ( 1.028 0.190 0.742) 1.282 3.936 ( -0.853 0.060 -0.644) 1.070 3.986 ( -0.491 4.301 0.873) 4.417 4.002 ( 0.318 4.569 -0.561) 4.614 4.233 ( -0.149 2.070 0.690) 2.187 4.249 ( 0.171 1.908 -0.660) 2.026 4.301 ( -0.461 3.324 0.333) 3.372 4.308 ( 0.390 3.328 -0.240) 3.360 4.475 ( 0.234 -5.722 1.226) 5.857 4.508 ( -0.307 -6.887 -1.572) 7.070 4.640 ( 0.066 1.794 -0.120) 1.799 4.655 ( -0.054 1.296 -1.345) 1.869 4.791 ( 1.012 -3.711 1.214) 4.034 4.795 ( -0.852 -3.047 0.949) 3.303 5.377 ( 0.099 0.190 0.428) 0.479 5.386 ( -0.228 0.051 -0.396) 0.460 5.399 ( 0.031 0.564 0.251) 0.618 5.404 ( 0.105 0.665 -0.208) 0.705 5.688 ( 0.041 -1.412 0.193) 1.426 5.694 ( -0.124 -1.446 -0.306) 1.484 5.713 ( 0.161 -2.085 1.049) 2.340 5.740 ( -0.126 -2.714 -1.157) 2.953 5.960 ( -0.192 4.150 0.103) 4.156 5.965 ( 0.346 4.259 -0.296) 4.283 5.973 ( -0.459 3.817 0.470) 3.874 5.979 ( 0.316 3.919 0.050) 3.933 6.350 ( 0.012 2.404 -0.009) 2.404 6.354 ( 0.058 2.281 -0.327) 2.305 6.365 ( -0.036 2.226 0.395) 2.261 6.372 ( -0.139 2.041 -0.157) 2.051 6.758 ( 0.087 -1.970 0.034) 1.972 6.758 ( -0.088 -2.069 -0.019) 2.071 6.778 ( 0.062 -2.176 0.264) 2.193 6.784 ( -0.081 -2.163 -0.256) 2.180 7.172 ( -0.243 0.965 0.124) 1.003 7.176 ( 0.275 0.734 -0.184) 0.805 7.202 ( 0.063 1.137 0.141) 1.148 7.206 ( -0.022 0.928 -0.164) 0.943 7.360 ( 0.004 -2.102 0.409) 2.141 7.368 ( 0.062 -2.044 -0.160) 2.051 7.380 ( -0.036 -2.317 0.648) 2.406 7.395 ( 0.076 -2.824 -0.573) 2.883 7.637 ( 0.033 3.276 0.191) 3.282 7.642 ( -0.054 3.363 -0.270) 3.374 7.667 ( 0.033 2.956 0.593) 3.015 7.681 ( 0.046 2.999 -0.597) 3.059 7.980 ( 0.256 0.557 0.177) 0.637 7.994 ( -0.418 -0.079 -0.892) 0.988 8.021 ( -0.395 -1.088 0.819) 1.418 8.034 ( 0.749 -1.663 -0.164) 1.831 8.319 ( -0.495 0.092 0.927) 1.055 8.334 ( 0.548 -0.205 -0.340) 0.677 8.412 ( 0.165 -1.770 0.291) 1.802 8.416 ( -0.160 -1.747 -0.022) 1.754 8.583 ( -0.191 -2.079 1.072) 2.347 8.601 ( 0.234 -2.524 -0.370) 2.562 8.636 ( 0.412 -3.492 0.024) 3.517 8.651 ( -0.525 -3.753 -1.255) 3.992 12.280 ( 0.125 -0.489 0.079) 0.511 12.282 ( -0.081 -0.613 -0.108) 0.627 12.294 ( 0.137 -1.036 0.129) 1.053 12.297 ( -0.169 -1.108 -0.096) 1.125 12.436 ( -0.049 -1.094 0.030) 1.096 12.438 ( 0.027 -1.148 -0.087) 1.152 12.441 ( 0.023 -1.182 0.047) 1.183 12.442 ( -0.006 -1.173 -0.076) 1.175 15.471 ( 0.384 -1.308 -0.245) 1.386 15.472 ( -0.595 -1.294 -0.277) 1.451 15.504 ( 0.073 -1.416 0.857) 1.656 15.521 ( 0.207 -1.936 -0.646) 2.051 15.767 ( -0.558 3.108 0.044) 3.157 15.772 ( -0.331 2.971 -0.244) 2.999 15.802 ( -0.119 3.312 0.538) 3.358 15.819 ( 1.424 2.032 -0.747) 2.591 16.028 ( -1.774 3.172 0.819) 3.726 16.050 ( 1.533 3.464 -0.938) 3.902 16.100 ( -1.111 1.914 1.420) 2.629 16.126 ( 1.364 2.338 -0.728) 2.803 16.352 ( -0.516 -3.829 0.909) 3.969 16.378 ( -0.042 -4.364 -1.114) 4.504 16.437 ( -1.311 -2.490 1.627) 3.250 16.459 ( 0.872 1.243 -0.435) 1.579 16.530 ( -1.406 -1.777 1.067) 2.505 16.550 ( 2.029 1.644 -0.961) 2.783 16.624 ( -1.064 -0.716 3.150) 3.401 16.724 ( 2.129 -2.087 -5.210) 6.003 17.762 ( -2.237 -5.409 4.121) 7.159 17.826 ( -2.438 -6.686 1.993) 7.390 17.829 ( 1.275 -5.183 -1.884) 5.661 17.877 ( 2.426 -7.989 -1.909) 8.565======================= Grid point 46 (24/28) =======================q-point: (-0.25 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( -5.285 12.450 2.133) 13.693 0.718 ( -6.261 7.689 2.269) 10.172 0.799 ( 1.699 4.236 0.333) 4.576 0.806 ( 0.965 3.941 -1.692) 4.396 0.894 ( 0.442 4.893 -1.320) 5.088 0.907 ( -1.410 2.260 -0.902) 2.812 0.928 ( -1.644 1.187 1.274) 2.394 0.951 ( 0.688 -0.255 -0.280) 0.785 0.959 ( -1.066 1.603 -1.140) 2.237 1.008 ( -1.327 3.676 1.621) 4.231 1.020 ( 2.549 4.702 -0.734) 5.398 1.036 ( 0.381 3.757 1.371) 4.018 1.188 ( -1.813 3.677 -1.276) 4.294 1.215 ( -1.404 2.078 1.423) 2.883 1.267 ( -0.217 9.299 -0.712) 9.329 1.280 ( -0.221 7.707 -1.670) 7.889 1.291 ( 0.130 8.533 0.085) 8.535 1.361 ( 0.548 9.094 0.790) 9.145 1.396 ( 0.733 5.721 1.778) 6.036 1.401 ( -0.042 1.302 1.540) 2.017 1.430 ( -0.057 1.012 -0.162) 1.027 1.446 ( -0.616 0.786 0.321) 1.050 1.458 ( -1.064 7.922 -1.969) 8.232 1.492 ( 0.488 5.014 1.163) 5.170 1.496 ( 0.197 1.356 0.094) 1.373 1.522 ( 0.988 3.922 1.732) 4.400 1.543 ( -1.681 7.363 -0.221) 7.556 1.577 ( -0.020 3.153 0.495) 3.191 1.609 ( -1.710 1.758 -0.885) 2.607 1.628 ( -2.146 3.923 0.413) 4.490 1.654 ( 0.932 2.744 -1.173) 3.127 1.692 ( 1.817 3.884 -0.387) 4.305 1.695 ( 1.264 4.600 -1.503) 5.002 1.768 ( -1.503 4.278 -1.378) 4.739 1.797 ( 2.193 1.687 -1.151) 2.997 1.820 ( 0.703 3.074 -0.786) 3.249 1.850 ( 1.114 3.493 -2.089) 4.220 1.893 ( 1.363 3.687 -0.439) 3.955 1.925 ( 2.016 7.090 -0.637) 7.399 1.974 ( 2.693 2.878 2.306) 4.566 1.999 ( 0.481 0.517 -2.444) 2.544 2.019 ( 0.410 2.378 3.587) 4.324 2.173 ( -3.317 -2.979 -0.132) 4.460 2.187 ( -0.984 1.816 1.508) 2.557 2.202 ( -1.447 -0.726 -0.979) 1.892 2.228 ( -0.280 -1.749 0.028) 1.772 2.239 ( 0.885 0.462 -0.701) 1.219 2.255 ( 0.870 -1.898 -0.506) 2.149 2.498 ( 1.538 2.492 0.624) 2.994 2.522 ( 2.188 1.413 1.663) 3.090 2.584 ( -0.080 3.390 -0.365) 3.410 2.606 ( 0.656 4.460 0.518) 4.537 2.643 ( -2.288 1.256 -0.599) 2.678 2.681 ( -1.200 1.900 0.762) 2.373 2.720 ( -1.426 3.657 -0.712) 3.989 2.733 ( 1.244 1.365 -1.319) 2.270 2.770 ( 0.339 1.307 0.938) 1.643 2.779 ( -0.691 -0.201 -0.226) 0.754 2.811 ( -0.010 2.278 -0.010) 2.278 2.828 ( -0.154 1.061 0.728) 1.296 3.061 ( 0.223 -1.903 -0.058) 1.917 3.066 ( 0.595 -1.581 0.263) 1.710 3.102 ( 0.046 -1.070 -0.238) 1.097 3.115 ( 0.466 -0.756 0.025) 0.888 3.165 ( -0.273 -1.284 -0.289) 1.344 3.180 ( -0.507 -0.978 0.431) 1.183 3.216 ( -1.961 -1.574 0.062) 2.515 3.254 ( -1.903 -1.274 -0.150) 2.295 3.272 ( 0.300 0.216 0.763) 0.848 3.282 ( 0.370 0.156 -0.413) 0.576 3.314 ( 0.507 -0.726 -0.278) 0.928 3.342 ( 0.877 -1.390 -0.160) 1.652 3.404 ( 1.183 1.287 0.114) 1.751 3.411 ( 1.477 0.336 -0.069) 1.516 3.454 ( -0.187 0.087 -0.020) 0.207 3.469 ( -0.114 -0.362 0.122) 0.398 3.868 ( -0.288 1.054 0.233) 1.117 3.875 ( -0.045 1.481 -0.182) 1.493 3.920 ( 0.126 0.855 -0.477) 0.987 3.950 ( 1.111 0.135 0.303) 1.159 3.985 ( -0.357 5.250 0.474) 5.284 4.017 ( 1.135 3.346 -0.460) 3.563 4.244 ( 0.468 1.711 0.000) 1.774 4.249 ( 0.834 1.955 0.044) 2.126 4.288 ( -0.812 3.384 -0.067) 3.481 4.337 ( 3.055 2.403 -0.057) 3.887 4.468 ( -1.293 -4.826 -0.549) 5.026 4.495 ( -0.759 -7.186 0.808) 7.271 4.648 ( 0.560 1.376 0.398) 1.538 4.658 ( 1.447 1.417 -0.029) 2.025 4.735 ( -5.362 -2.542 -0.055) 5.934 4.796 ( -1.596 -2.334 -0.620) 2.895 5.382 ( 0.290 0.133 -0.288) 0.429 5.391 ( 0.494 0.224 0.250) 0.597 5.399 ( -0.009 0.296 0.006) 0.297 5.403 ( 0.013 0.805 0.003) 0.805 5.696 ( 0.759 -1.638 -0.168) 1.813 5.703 ( 1.083 -1.672 0.309) 2.016 5.718 ( -0.368 -2.318 -0.991) 2.548 5.731 ( -0.061 -2.427 0.974) 2.616 5.956 ( -0.337 4.499 0.171) 4.515 5.962 ( -0.116 4.209 0.032) 4.211 5.976 ( 0.279 3.774 -0.098) 3.786 5.990 ( 0.686 3.070 -0.276) 3.157 6.351 ( 0.124 2.274 -0.100) 2.279 6.352 ( 0.155 2.313 0.125) 2.321 6.367 ( -0.121 2.216 -0.198) 2.228 6.369 ( -0.303 2.053 0.357) 2.106 6.752 ( -0.375 -2.011 0.026) 2.046 6.758 ( -0.131 -1.963 -0.024) 1.967 6.778 ( -0.142 -2.232 -0.130) 2.240 6.782 ( -0.008 -2.156 0.133) 2.161 7.172 ( 0.046 1.014 0.200) 1.035 7.179 ( 0.397 0.857 -0.224) 0.970 7.194 ( -0.712 1.066 -0.054) 1.283 7.203 ( -0.460 0.858 0.012) 0.973 7.365 ( 0.129 -2.108 -0.393) 2.148 7.367 ( 0.135 -2.048 0.134) 2.057 7.381 ( -0.466 -2.511 -0.024) 2.554 7.389 ( -0.044 -2.525 0.008) 2.525 7.641 ( 0.318 3.244 -0.126) 3.262 7.642 ( 0.210 3.355 0.189) 3.367 7.667 ( -0.485 2.921 -0.536) 3.009 7.671 ( -0.502 2.963 0.451) 3.039 7.989 ( 0.679 0.639 0.031) 0.933 7.997 ( 0.943 0.723 0.245) 1.214 8.024 ( 0.253 -1.432 0.158) 1.463 8.042 ( 0.384 -1.011 -0.757) 1.320 8.315 ( -1.067 0.018 0.428) 1.150 8.332 ( 0.249 -0.677 -0.697) 1.003 8.407 ( -0.538 -1.870 -0.031) 1.946 8.418 ( -0.035 -1.961 -0.041) 1.962 8.588 ( -0.564 -2.348 0.436) 2.454 8.596 ( 0.086 -2.279 -1.010) 2.494 8.628 ( -0.356 -3.463 0.368) 3.501 8.652 ( 0.397 -3.552 0.527) 3.613 12.278 ( -0.190 -0.537 -0.090) 0.577 12.282 ( -0.036 -0.603 -0.020) 0.604 12.292 ( -0.144 -0.989 -0.015) 0.999 12.298 ( 0.029 -1.133 0.107) 1.138 12.438 ( 0.115 -1.136 0.035) 1.142 12.440 ( 0.204 -1.128 0.023) 1.146 12.441 ( 0.018 -1.182 -0.054) 1.183 12.442 ( 0.005 -1.156 0.032) 1.157 15.461 ( -0.322 -1.324 0.185) 1.375 15.479 ( 0.227 -1.737 0.427) 1.803 15.503 ( -0.294 -1.117 -0.372) 1.214 15.521 ( 0.307 -2.122 -0.251) 2.159 15.759 ( -0.668 3.110 0.599) 3.237 15.771 ( -0.542 2.532 0.806) 2.712 15.792 ( -0.218 3.781 -0.633) 3.840 15.837 ( 1.665 2.662 -1.335) 3.412 16.014 ( -1.326 3.105 1.362) 3.641 16.065 ( 1.419 3.033 -0.878) 3.462 16.096 ( -0.954 2.142 0.857) 2.496 16.141 ( 1.768 1.145 -1.507) 2.590 16.346 ( -0.619 -3.765 0.390) 3.835 16.375 ( -0.519 -3.747 1.229) 3.977 16.439 ( 0.227 -0.998 -0.419) 1.106 16.481 ( 1.445 -3.227 0.085) 3.537 16.499 ( -1.929 -3.132 -0.069) 3.679 16.602 ( 1.916 1.964 -0.169) 2.749 16.633 ( 0.879 1.028 0.440) 1.423 16.693 ( 1.018 -0.859 -2.596) 2.917 17.768 ( -4.829 -6.087 4.387) 8.923 17.806 ( -1.759 -5.738 1.261) 6.132 17.827 ( 2.198 -5.414 -2.740) 6.454 17.875 ( 0.754 -7.008 -1.940) 7.311======================= Grid point 47 (25/28) =======================q-point: ( 0.00 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 1.096 3.670 0.622) 3.880 0.806 ( -1.595 2.015 -1.092) 2.792 0.849 ( 1.523 3.467 0.553) 3.827 0.876 ( -0.279 0.841 -1.759) 1.970 0.907 ( 0.271 0.423 -0.319) 0.595 0.909 ( -0.349 0.127 -0.338) 0.502 0.953 ( -0.210 0.525 0.158) 0.587 0.960 ( 0.086 0.102 -0.461) 0.479 1.024 ( 1.802 6.057 4.154) 7.563 1.102 ( 0.004 4.245 -2.206) 4.784 1.121 ( 1.808 3.159 3.881) 5.320 1.163 ( -2.124 0.603 2.022) 2.994 1.208 ( -0.457 -1.187 -0.416) 1.338 1.258 ( -1.565 -3.011 -0.775) 3.481 1.291 ( 0.024 2.796 -2.996) 4.098 1.310 ( -3.269 1.225 -0.309) 3.505 1.359 ( 3.130 2.031 2.115) 4.289 1.411 ( -0.762 2.733 -1.581) 3.248 1.440 ( -1.021 -1.283 1.733) 2.386 1.472 ( 1.141 -0.271 -0.360) 1.227 1.502 ( 0.873 2.962 2.011) 3.685 1.536 ( -0.085 2.136 0.105) 2.140 1.540 ( -0.554 2.845 0.237) 2.908 1.553 ( 0.825 3.278 -1.585) 3.733 1.572 ( 2.023 0.065 0.519) 2.090 1.581 ( -1.026 3.189 0.232) 3.358 1.619 ( 1.007 -0.799 -0.551) 1.398 1.633 ( -0.243 1.329 -1.488) 2.010 1.640 ( -0.360 0.097 -0.775) 0.860 1.675 ( -1.648 0.235 -2.799) 3.257 1.696 ( -1.475 -1.368 -0.595) 2.098 1.708 ( 0.559 -1.101 -1.520) 1.958 1.782 ( 1.368 5.987 1.723) 6.378 1.796 ( -1.086 6.560 0.324) 6.657 1.853 ( -0.401 2.163 1.957) 2.945 1.878 ( 1.366 -1.590 0.483) 2.152 1.926 ( -0.377 0.909 -0.086) 0.988 1.941 ( -0.077 3.347 -1.164) 3.545 1.999 ( -1.116 1.160 1.085) 1.941 2.020 ( 0.785 2.709 -0.502) 2.865 2.070 ( 1.618 -0.183 0.683) 1.765 2.099 ( -0.641 0.984 -1.572) 1.962 2.124 ( 0.278 -1.089 1.453) 1.837 2.150 ( 0.649 -1.627 -0.450) 1.809 2.206 ( -0.794 1.283 1.730) 2.296 2.224 ( -0.265 0.645 -0.005) 0.697 2.244 ( -0.004 2.632 -2.375) 3.545 2.265 ( -0.400 0.446 -2.825) 2.888 2.576 ( -1.187 1.419 1.327) 2.276 2.590 ( -0.092 1.155 -0.223) 1.180 2.605 ( 0.735 -0.074 2.123) 2.248 2.628 ( 0.622 -1.245 0.350) 1.435 2.698 ( 0.372 3.227 0.931) 3.379 2.716 ( -0.493 2.316 0.656) 2.457 2.755 ( 1.109 2.181 -0.835) 2.585 2.780 ( -0.900 2.095 -1.775) 2.890 2.815 ( -0.890 1.475 0.217) 1.736 2.822 ( 0.911 0.860 -0.617) 1.397 2.833 ( 0.495 1.421 0.607) 1.623 2.845 ( -0.512 0.815 -0.364) 1.029 3.018 ( 0.203 -1.437 0.144) 1.459 3.027 ( -0.351 -1.342 -0.516) 1.480 3.057 ( 0.233 -2.830 0.188) 2.846 3.058 ( -0.176 -3.474 0.120) 3.480 3.163 ( 1.428 0.752 0.192) 1.625 3.170 ( -1.084 0.831 -0.421) 1.429 3.182 ( 0.552 -0.692 0.606) 1.073 3.196 ( -0.903 -1.264 -0.597) 1.664 3.278 ( 0.005 -0.018 0.525) 0.526 3.285 ( -0.094 -0.848 0.606) 1.047 3.288 ( 0.132 -0.861 -0.129) 0.881 3.301 ( 0.105 -1.707 -0.533) 1.792 3.453 ( -0.071 1.461 0.147) 1.470 3.458 ( 0.520 1.048 -0.274) 1.201 3.475 ( -0.679 0.861 0.092) 1.100 3.476 ( 0.073 0.714 0.047) 0.720 3.899 ( -0.008 1.391 0.068) 1.393 3.907 ( -0.036 1.033 -0.608) 1.199 3.948 ( 0.599 0.323 0.752) 1.014 3.957 ( -0.386 -0.290 -0.045) 0.485 4.105 ( -0.280 5.996 0.174) 6.005 4.109 ( 0.298 5.314 -0.183) 5.326 4.220 ( -0.047 -4.504 0.520) 4.534 4.230 ( -0.044 -4.799 -0.350) 4.812 4.345 ( 0.374 1.413 0.474) 1.537 4.361 ( -0.984 0.003 -0.905) 1.337 4.386 ( -0.346 -1.279 0.508) 1.419 4.395 ( 0.903 -1.827 -0.163) 2.045 4.686 ( 0.308 0.808 0.582) 1.042 4.691 ( 0.114 0.472 0.713) 0.862 4.709 ( 0.038 1.254 -0.030) 1.255 4.730 ( -0.453 -0.788 -1.290) 1.578 5.387 ( -0.201 0.392 -0.133) 0.460 5.390 ( -0.030 0.189 -0.384) 0.429 5.411 ( 0.045 0.032 0.359) 0.363 5.414 ( 0.181 -0.156 0.129) 0.271 5.674 ( -0.099 -0.717 -0.083) 0.729 5.675 ( 0.148 -0.782 -0.171) 0.814 5.690 ( 0.406 -1.073 0.214) 1.167 5.691 ( -0.437 -1.138 0.127) 1.226 6.029 ( -0.145 1.888 0.217) 1.906 6.031 ( -0.199 1.869 0.215) 1.892 6.035 ( 0.100 1.637 -0.282) 1.664 6.037 ( 0.216 1.633 -0.244) 1.665 6.392 ( 0.259 0.947 0.242) 1.011 6.392 ( 0.128 0.922 0.198) 0.951 6.397 ( -0.277 0.957 -0.139) 1.006 6.397 ( -0.117 0.903 -0.180) 0.929 6.724 ( -0.022 -0.375 0.126) 0.397 6.727 ( 0.020 -0.553 -0.110) 0.564 6.737 ( 0.148 -1.430 0.052) 1.438 6.738 ( -0.143 -1.570 -0.062) 1.578 7.193 ( -0.251 0.480 0.227) 0.588 7.196 ( -0.130 0.212 0.048) 0.253 7.204 ( 0.332 0.400 -0.067) 0.524 7.205 ( 0.130 0.274 -0.131) 0.331 7.330 ( -0.266 -0.643 0.002) 0.696 7.335 ( 0.137 -0.730 -0.320) 0.809 7.341 ( 0.143 -1.147 0.186) 1.171 7.346 ( -0.097 -1.257 -0.184) 1.274 7.699 ( 0.017 1.666 0.018) 1.666 7.700 ( -0.032 1.654 -0.024) 1.654 7.707 ( -0.516 1.008 0.049) 1.133 7.707 ( 0.560 0.966 0.004) 1.117 8.013 ( -0.170 0.187 0.366) 0.445 8.015 ( -0.408 0.002 0.563) 0.695 8.021 ( 0.280 0.237 -0.339) 0.499 8.029 ( 0.315 -0.375 -0.579) 0.759 8.321 ( -0.180 1.554 0.192) 1.576 8.328 ( 0.155 1.048 -0.367) 1.121 8.362 ( 0.133 -2.023 0.118) 2.031 8.365 ( -0.104 -2.398 -0.139) 2.404 8.554 ( -0.360 -0.043 -0.028) 0.363 8.556 ( 0.279 -0.361 -0.240) 0.515 8.578 ( 0.340 -2.260 0.469) 2.333 8.585 ( -0.260 -2.640 -0.121) 2.656 12.270 ( 0.001 0.018 -0.005) 0.019 12.271 ( 0.005 -0.050 -0.114) 0.124 12.278 ( 0.037 -0.600 0.072) 0.605 12.278 ( -0.041 -0.679 0.013) 0.680 12.421 ( 0.021 -0.463 0.023) 0.464 12.422 ( -0.027 -0.508 -0.036) 0.510 12.424 ( -0.012 -0.490 0.088) 0.498 12.425 ( 0.036 -0.540 0.028) 0.542 15.438 ( 0.262 -1.084 0.808) 1.377 15.441 ( -0.122 -1.481 0.777) 1.677 15.466 ( -0.245 -1.043 -0.698) 1.279 15.471 ( 0.218 -1.497 -0.750) 1.689 15.817 ( -0.238 1.636 1.340) 2.128 15.823 ( -0.425 0.993 1.619) 1.946 15.854 ( 0.433 2.279 -1.429) 2.725 15.871 ( 0.562 0.684 -2.067) 2.249 16.079 ( -0.879 2.647 1.689) 3.260 16.112 ( -0.319 0.725 -0.070) 0.795 16.121 ( -0.124 1.207 -0.052) 1.214 16.146 ( 0.677 -0.310 -1.135) 1.358 16.285 ( 0.755 -1.671 0.541) 1.912 16.299 ( -0.467 -2.590 -0.061) 2.633 16.340 ( -0.605 -3.663 -0.520) 3.749 16.343 ( 0.596 -3.952 -0.464) 4.024 16.587 ( -1.377 3.522 2.290) 4.421 16.618 ( -1.173 0.855 0.990) 1.756 16.682 ( 0.197 1.530 -1.303) 2.019 16.707 ( 2.780 -0.549 -2.250) 3.618 17.684 ( -2.472 -0.750 2.716) 3.748 17.713 ( -1.317 -3.379 2.032) 4.157 17.746 ( 2.032 -1.744 -2.413) 3.604 17.760 ( 1.186 -2.999 -1.916) 3.751======================= Grid point 48 (26/28) =======================q-point: ( 0.25 0.43 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -0.869 3.304 -0.068) 3.417 0.809 ( 0.098 0.342 0.661) 0.751 0.862 ( 1.563 3.021 -1.205) 3.609 0.887 ( 1.548 0.192 0.484) 1.634 0.909 ( 1.029 0.457 -0.059) 1.127 0.913 ( 0.378 0.817 0.471) 1.016 0.949 ( -0.599 0.549 0.111) 0.820 0.957 ( -0.145 -0.148 0.084) 0.224 1.037 ( 0.135 5.122 -2.778) 5.829 1.108 ( -0.121 -0.869 -3.040) 3.164 1.149 ( 3.472 5.170 0.624) 6.259 1.197 ( -0.185 4.302 -0.279) 4.315 1.211 ( 0.396 1.380 1.692) 2.219 1.241 ( 0.062 3.585 0.798) 3.673 1.295 ( -0.332 -1.360 0.820) 1.623 1.327 ( 0.592 -1.460 2.216) 2.719 1.351 ( 1.657 1.280 0.948) 2.299 1.389 ( -3.789 -2.157 -1.344) 4.562 1.434 ( 0.407 2.903 0.208) 2.939 1.462 ( -3.596 2.995 0.563) 4.713 1.481 ( -0.650 -1.143 -1.996) 2.390 1.512 ( -0.861 4.002 0.101) 4.094 1.538 ( -1.477 -0.765 -1.155) 2.025 1.543 ( -1.768 0.551 -0.843) 2.035 1.554 ( -1.283 1.471 -0.088) 1.954 1.575 ( -1.399 -1.498 0.792) 2.197 1.606 ( 1.819 2.691 -0.021) 3.248 1.637 ( 1.617 4.178 0.343) 4.493 1.657 ( 0.784 -0.653 0.093) 1.025 1.679 ( 2.993 3.025 2.425) 4.898 1.695 ( 0.276 0.473 1.478) 1.576 1.764 ( 4.173 -1.464 0.152) 4.425 1.774 ( -0.156 6.039 -1.059) 6.133 1.823 ( 0.881 4.715 -0.621) 4.837 1.848 ( -0.039 -0.344 0.814) 0.885 1.883 ( -1.032 1.725 -1.708) 2.637 1.920 ( -1.017 1.990 -0.602) 2.314 1.934 ( 0.460 1.686 0.823) 1.931 1.991 ( -1.600 2.372 1.441) 3.203 2.028 ( 0.705 0.848 -0.199) 1.120 2.055 ( -0.275 3.201 -2.301) 3.952 2.092 ( -0.487 2.548 0.016) 2.594 2.145 ( 0.705 -3.242 -0.600) 3.372 2.153 ( 0.976 -2.125 -0.581) 2.409 2.202 ( -1.989 2.377 1.348) 3.380 2.212 ( -1.102 1.747 0.898) 2.252 2.232 ( -0.084 0.407 -0.115) 0.431 2.239 ( -0.218 -1.014 1.278) 1.646 2.556 ( -1.967 2.391 0.290) 3.110 2.592 ( -0.126 -0.141 0.506) 0.540 2.627 ( 0.563 0.961 -1.595) 1.946 2.646 ( 2.107 -0.951 -0.673) 2.408 2.700 ( -0.419 3.171 -0.803) 3.298 2.718 ( -0.402 3.004 0.896) 3.161 2.741 ( -0.277 1.388 -0.831) 1.642 2.776 ( -0.069 0.364 0.825) 0.904 2.802 ( -0.384 2.406 0.265) 2.451 2.834 ( 0.687 -0.003 0.648) 0.945 2.841 ( 0.920 2.184 -0.538) 2.430 2.862 ( 1.067 1.166 -0.030) 1.581 3.022 ( 0.597 -0.735 -0.145) 0.958 3.033 ( 1.067 -0.841 0.376) 1.410 3.062 ( 0.477 -2.304 0.030) 2.352 3.067 ( 0.623 -3.488 -0.164) 3.547 3.148 ( -0.505 0.818 -0.106) 0.967 3.173 ( -0.029 -1.246 -0.265) 1.274 3.202 ( 1.640 -0.029 -0.026) 1.641 3.213 ( 1.440 -0.975 0.505) 1.811 3.276 ( -0.000 -0.064 -0.118) 0.134 3.283 ( -0.282 -0.134 -0.082) 0.323 3.293 ( -0.182 -0.909 -0.462) 1.035 3.295 ( -0.141 -1.662 0.325) 1.700 3.439 ( -1.401 1.804 0.017) 2.284 3.448 ( -0.782 0.851 -0.521) 1.268 3.464 ( -0.786 1.238 0.436) 1.530 3.475 ( -0.428 0.188 0.292) 0.551 3.891 ( -0.951 1.068 0.144) 1.437 3.898 ( -0.308 0.505 0.009) 0.591 3.932 ( -1.626 0.277 -0.416) 1.701 3.946 ( -1.335 -0.732 0.052) 1.523 4.094 ( -0.632 5.953 0.105) 5.988 4.113 ( -0.054 5.278 -0.159) 5.281 4.218 ( -0.512 -4.347 0.071) 4.378 4.224 ( -0.360 -4.770 0.019) 4.784 4.350 ( 0.603 1.901 -0.156) 2.000 4.365 ( 0.394 1.293 0.625) 1.489 4.387 ( 0.290 -1.146 0.091) 1.185 4.406 ( 0.832 -2.665 -0.522) 2.840 4.682 ( -0.404 1.325 -0.306) 1.419 4.703 ( 0.874 0.046 0.332) 0.936 4.709 ( -0.206 0.478 -0.955) 1.088 4.735 ( 0.973 -1.156 0.964) 1.792 5.385 ( -0.129 0.579 0.256) 0.647 5.391 ( 0.316 0.135 0.130) 0.367 5.407 ( -0.629 0.050 -0.155) 0.650 5.412 ( -0.227 -0.249 -0.209) 0.397 5.668 ( -0.440 -0.560 0.031) 0.713 5.672 ( -0.193 -0.947 0.068) 0.969 5.683 ( -0.355 -0.370 -0.051) 0.516 5.697 ( 0.197 -1.696 -0.112) 1.711 6.028 ( -0.225 1.901 0.115) 1.918 6.030 ( -0.176 1.730 0.234) 1.754 6.038 ( 0.252 1.844 -0.115) 1.864 6.038 ( 0.300 1.738 -0.164) 1.771 6.391 ( -0.061 1.091 -0.220) 1.114 6.393 ( -0.013 0.905 -0.242) 0.937 6.397 ( 0.049 1.011 0.217) 1.036 6.400 ( 0.213 0.730 0.210) 0.789 6.727 ( 0.177 -0.545 0.036) 0.574 6.728 ( 0.226 -0.430 -0.048) 0.488 6.736 ( 0.015 -1.323 0.005) 1.323 6.742 ( 0.268 -1.604 0.001) 1.626 7.187 ( -0.422 0.350 0.121) 0.562 7.189 ( -0.441 0.185 0.029) 0.479 7.213 ( 0.724 0.477 -0.176) 0.884 7.215 ( 0.724 0.300 -0.117) 0.793 7.328 ( -0.229 -0.485 0.273) 0.602 7.336 ( 0.299 -0.822 -0.000) 0.875 7.341 ( -0.100 -1.036 -0.204) 1.061 7.345 ( 0.046 -1.534 0.157) 1.543 7.693 ( -0.343 1.722 0.051) 1.757 7.702 ( 0.028 1.091 0.110) 1.097 7.704 ( 0.138 1.819 -0.064) 1.825 7.719 ( 0.645 0.614 -0.149) 0.903 7.997 ( -1.305 0.565 0.057) 1.423 8.007 ( -1.211 -0.153 0.103) 1.225 8.016 ( -0.590 -0.356 0.168) 0.709 8.019 ( -0.484 -0.339 -0.356) 0.690 8.327 ( 0.438 1.515 0.213) 1.591 8.336 ( 0.962 1.255 -0.140) 1.588 8.366 ( 0.407 -2.028 -0.039) 2.068 8.373 ( 0.665 -2.082 0.024) 2.186 8.550 ( -0.089 -0.052 0.228) 0.250 8.562 ( 0.519 -0.487 -0.048) 0.713 8.576 ( -0.293 -2.159 -0.205) 2.188 8.589 ( 0.230 -2.702 0.004) 2.711 12.271 ( 0.143 -0.030 -0.010) 0.147 12.272 ( 0.165 -0.088 0.028) 0.189 12.277 ( -0.048 -0.561 -0.009) 0.563 12.279 ( 0.053 -0.666 -0.000) 0.668 12.421 ( -0.075 -0.442 -0.016) 0.448 12.422 ( -0.050 -0.498 0.021) 0.501 12.423 ( -0.119 -0.474 -0.030) 0.489 12.424 ( -0.043 -0.555 -0.038) 0.558 15.442 ( 0.031 -0.939 -0.516) 1.072 15.448 ( 0.090 -1.527 -0.239) 1.548 15.461 ( -0.094 -0.866 0.528) 1.019 15.470 ( 0.373 -1.798 -0.004) 1.836 15.826 ( -0.474 1.681 0.117) 1.750 15.833 ( -0.346 1.112 0.310) 1.205 15.847 ( 0.236 1.607 -0.072) 1.626 15.852 ( 0.381 1.029 -0.708) 1.306 16.092 ( -0.488 2.388 1.442) 2.832 16.111 ( 0.866 2.664 -1.137) 3.023 16.119 ( -0.698 0.183 1.314) 1.499 16.148 ( 1.053 -0.133 -0.737) 1.293 16.276 ( -0.646 -1.997 -0.381) 2.133 16.295 ( -0.545 -3.400 -0.167) 3.447 16.333 ( -0.023 -2.628 0.748) 2.732 16.360 ( 1.381 -4.439 -0.506) 4.677 16.597 ( -1.779 2.596 2.685) 4.137 16.610 ( -0.945 1.610 0.679) 1.987 16.663 ( 0.014 3.033 -1.272) 3.289 16.712 ( 1.876 -1.535 -2.650) 3.591 17.686 ( -2.012 -0.667 2.772) 3.489 17.718 ( -1.533 -3.674 2.059) 4.482 17.751 ( 2.214 -2.373 -2.038) 3.833 17.753 ( 1.281 -2.505 -2.035) 3.472======================= Grid point 49 (27/28) =======================q-point: (-0.50 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( 0.619 3.101 1.797) 3.637 0.817 ( -0.282 0.522 0.018) 0.593 0.886 ( 1.409 3.211 0.743) 3.584 0.914 ( 0.369 -0.429 0.805) 0.984 0.923 ( 0.601 0.862 -0.321) 1.099 0.932 ( 0.438 0.222 0.533) 0.725 0.935 ( -0.995 1.907 -0.072) 2.152 0.951 ( -0.375 0.280 -0.495) 0.682 1.028 ( 0.923 3.318 -2.117) 4.043 1.068 ( -0.756 1.306 -4.243) 4.503 1.112 ( -0.491 6.205 0.401) 6.237 1.164 ( -1.382 3.363 -2.754) 4.562 1.242 ( -1.227 1.150 0.466) 1.745 1.246 ( 0.781 0.598 0.241) 1.013 1.289 ( -1.822 -3.324 1.511) 4.080 1.307 ( -0.619 -5.050 -0.881) 5.164 1.378 ( -1.637 1.070 1.286) 2.340 1.388 ( 1.247 0.339 0.482) 1.379 1.411 ( 0.269 1.678 0.529) 1.780 1.446 ( 1.781 -0.346 -2.009) 2.707 1.484 ( 1.087 4.671 1.638) 5.068 1.503 ( -0.077 2.431 -0.309) 2.452 1.524 ( -1.158 2.945 -0.001) 3.165 1.532 ( 0.075 1.025 -0.857) 1.338 1.548 ( 1.721 1.255 1.617) 2.674 1.592 ( 0.358 -0.120 -0.621) 0.727 1.635 ( 0.769 2.780 1.992) 3.506 1.656 ( -1.497 1.273 1.646) 2.563 1.684 ( 1.530 3.382 1.277) 3.926 1.697 ( -2.057 2.650 0.953) 3.487 1.734 ( 0.111 4.354 0.694) 4.410 1.772 ( 1.939 2.453 -1.037) 3.295 1.803 ( 0.457 1.284 -0.941) 1.656 1.806 ( -2.022 -0.145 -1.017) 2.268 1.839 ( -1.366 1.146 -0.327) 1.813 1.855 ( 0.487 -1.844 -0.766) 2.056 1.909 ( 2.127 1.142 0.064) 2.415 1.926 ( -1.243 -0.656 -0.985) 1.716 2.002 ( -1.544 3.622 2.577) 4.706 2.025 ( 0.222 2.346 -0.070) 2.358 2.056 ( 0.707 4.063 -1.742) 4.477 2.064 ( 1.225 4.966 -1.458) 5.318 2.149 ( -0.206 -4.440 0.590) 4.484 2.165 ( 0.959 -3.774 -0.618) 3.943 2.206 ( -1.500 2.207 2.419) 3.602 2.220 ( -0.222 1.387 1.326) 1.932 2.236 ( 0.385 1.476 0.804) 1.724 2.251 ( 1.025 0.180 -0.043) 1.042 2.534 ( -0.885 3.302 0.463) 3.449 2.571 ( -0.207 2.578 -2.221) 3.409 2.618 ( -0.346 -2.183 0.356) 2.239 2.654 ( 0.406 -3.389 -2.138) 4.027 2.692 ( 0.354 3.947 0.048) 3.963 2.699 ( -0.782 3.412 -0.451) 3.529 2.761 ( 1.154 1.258 0.969) 1.963 2.774 ( -0.304 0.304 -0.065) 0.435 2.814 ( -0.003 2.907 1.146) 3.125 2.837 ( -0.377 1.279 -0.529) 1.435 2.853 ( 0.044 1.786 0.603) 1.886 2.866 ( 0.229 0.938 -0.450) 1.066 3.035 ( 0.389 -0.130 0.274) 0.493 3.042 ( -0.579 -0.317 -0.307) 0.728 3.065 ( -0.041 -2.068 0.056) 2.069 3.069 ( 0.017 -2.637 -0.329) 2.657 3.161 ( 0.733 0.597 1.306) 1.612 3.185 ( 0.530 -1.081 0.163) 1.214 3.202 ( -0.609 -0.621 -0.380) 0.949 3.219 ( -0.656 -1.575 -0.851) 1.907 3.279 ( 0.416 -0.432 -0.103) 0.608 3.280 ( -0.221 -0.187 -0.198) 0.351 3.288 ( -0.740 -0.980 0.192) 1.243 3.292 ( 0.727 -1.055 -0.104) 1.285 3.424 ( -0.116 1.951 0.188) 1.964 3.433 ( 0.197 1.109 -0.555) 1.255 3.465 ( 0.116 0.824 0.537) 0.990 3.471 ( -0.311 0.253 0.077) 0.408 3.885 ( -0.156 0.990 0.533) 1.135 3.900 ( 0.828 0.551 -0.611) 1.167 3.911 ( -0.437 -0.593 0.524) 0.904 3.925 ( -0.143 -0.944 -0.554) 1.104 4.093 ( 0.087 5.800 0.416) 5.815 4.104 ( -0.119 5.233 -0.555) 5.264 4.215 ( -0.286 -4.140 0.245) 4.157 4.220 ( 0.212 -4.879 -0.157) 4.887 4.360 ( -0.184 2.221 0.265) 2.245 4.367 ( 0.152 2.319 -0.320) 2.346 4.394 ( -0.369 -1.659 0.616) 1.808 4.409 ( 0.358 -2.378 -0.620) 2.483 4.680 ( 0.315 1.802 0.126) 1.834 4.690 ( -0.417 1.588 -0.798) 1.826 4.732 ( 0.892 -1.885 0.855) 2.254 4.742 ( -0.744 -2.052 -0.059) 2.183 5.386 ( -0.165 0.702 0.336) 0.796 5.394 ( -0.005 0.631 -0.303) 0.700 5.401 ( 0.060 -0.380 0.285) 0.479 5.408 ( 0.117 -0.350 -0.274) 0.460 5.668 ( 0.136 -0.360 0.312) 0.495 5.675 ( -0.050 -0.544 -0.058) 0.549 5.678 ( 0.069 -0.819 0.260) 0.862 5.691 ( -0.170 -1.655 -0.635) 1.781 6.028 ( -0.117 1.957 0.239) 1.975 6.030 ( -0.048 1.734 0.181) 1.744 6.038 ( -0.048 1.922 -0.131) 1.927 6.040 ( 0.219 1.681 -0.180) 1.705 6.389 ( 0.052 1.106 -0.100) 1.111 6.390 ( 0.021 0.993 -0.207) 1.014 6.400 ( -0.043 0.967 0.205) 0.989 6.402 ( -0.072 0.728 0.015) 0.732 6.729 ( -0.095 -0.547 0.034) 0.556 6.730 ( 0.090 -0.437 -0.065) 0.451 6.738 ( 0.074 -1.374 0.185) 1.388 6.743 ( -0.069 -1.537 -0.164) 1.547 7.184 ( -0.154 0.273 0.063) 0.320 7.185 ( 0.066 0.186 0.012) 0.198 7.219 ( 0.052 0.422 -0.094) 0.436 7.220 ( 0.074 0.337 -0.156) 0.378 7.330 ( -0.091 -0.562 0.416) 0.705 7.337 ( 0.004 -0.837 -0.230) 0.868 7.343 ( 0.268 -1.154 0.194) 1.201 7.346 ( -0.152 -1.461 -0.031) 1.470 7.694 ( 0.065 1.922 0.306) 1.947 7.702 ( -0.076 2.068 -0.344) 2.098 7.707 ( 0.063 0.723 0.484) 0.872 7.719 ( -0.041 0.500 -0.503) 0.711 7.985 ( -0.125 0.380 0.100) 0.412 7.991 ( 0.020 -0.035 -0.346) 0.349 8.011 ( -0.452 -0.265 0.313) 0.611 8.016 ( 0.561 -0.655 -0.104) 0.868 8.336 ( -0.076 1.475 0.363) 1.521 8.343 ( 0.111 1.138 -0.260) 1.173 8.373 ( 0.137 -1.939 0.193) 1.953 8.377 ( -0.110 -1.932 -0.169) 1.942 8.556 ( -0.028 -0.280 0.546) 0.615 8.565 ( 0.017 -0.581 -0.241) 0.629 8.575 ( 0.307 -2.077 0.195) 2.109 8.584 ( -0.316 -2.316 -0.538) 2.398 12.273 ( 0.030 -0.139 0.036) 0.146 12.274 ( 0.012 -0.114 -0.003) 0.114 12.277 ( 0.022 -0.529 0.064) 0.533 12.279 ( -0.053 -0.579 -0.074) 0.587 12.420 ( -0.011 -0.396 0.012) 0.396 12.421 ( -0.011 -0.396 -0.071) 0.402 12.422 ( 0.016 -0.569 0.026) 0.570 12.423 ( -0.010 -0.594 -0.074) 0.599 15.439 ( 0.050 -1.080 -0.240) 1.108 15.440 ( -0.259 -1.153 -0.381) 1.241 15.467 ( 0.008 -1.190 0.400) 1.256 15.473 ( 0.234 -1.745 -0.134) 1.765 15.815 ( -0.500 1.387 -0.085) 1.477 15.819 ( -0.658 1.098 -0.337) 1.324 15.857 ( 0.315 1.592 0.171) 1.631 15.861 ( 1.159 1.215 -0.118) 1.683 16.093 ( -1.550 2.800 1.055) 3.369 16.111 ( 0.480 1.864 -0.131) 1.929 16.131 ( -0.240 1.308 0.887) 1.599 16.155 ( 0.861 0.020 -0.730) 1.129 16.275 ( 0.076 -2.326 0.302) 2.347 16.285 ( 0.299 -3.006 -0.491) 3.060 16.340 ( -0.462 -3.121 0.935) 3.291 16.363 ( 0.377 -4.643 -1.020) 4.768 16.594 ( -2.604 2.905 2.215) 4.486 16.615 ( -0.691 0.934 1.681) 2.043 16.659 ( 1.702 3.028 -1.218) 3.681 16.700 ( 1.918 -0.989 -3.307) 3.949 17.691 ( -2.102 -1.162 2.768) 3.665 17.717 ( -1.934 -3.502 1.858) 4.411 17.748 ( 1.570 -1.966 -2.014) 3.222 17.760 ( 1.993 -3.153 -1.762) 4.126======================= Grid point 50 (28/28) =======================q-point: (-0.25 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( -1.055 4.245 -1.202) 4.536 0.814 ( 0.390 1.460 0.728) 1.677 0.869 ( -2.074 4.600 -2.001) 5.428 0.905 ( -0.876 2.209 0.091) 2.378 0.912 ( -0.168 -0.747 -1.255) 1.470 0.925 ( -0.902 -0.202 -0.202) 0.947 0.945 ( 0.553 0.969 0.821) 1.385 0.956 ( 0.556 0.876 0.499) 1.151 0.988 ( -1.505 1.810 0.365) 2.382 1.056 ( 0.714 0.869 1.040) 1.532 1.140 ( -2.400 3.267 1.204) 4.229 1.164 ( 3.964 6.059 0.757) 7.280 1.204 ( -1.739 2.189 1.121) 3.012 1.251 ( -0.937 0.949 -0.568) 1.449 1.273 ( -1.239 -4.131 1.955) 4.735 1.344 ( 2.717 -3.562 1.412) 4.697 1.382 ( 0.943 -0.240 0.690) 1.193 1.388 ( -1.010 0.850 -1.387) 1.915 1.443 ( 1.373 1.766 -0.847) 2.392 1.464 ( 2.052 1.120 -0.897) 2.504 1.477 ( -0.676 3.729 -0.547) 3.829 1.511 ( 0.415 2.371 1.248) 2.712 1.526 ( 0.408 -0.023 -0.792) 0.892 1.547 ( 1.239 0.751 0.208) 1.463 1.559 ( 1.305 2.816 -2.231) 3.822 1.585 ( 0.743 2.010 0.220) 2.155 1.637 ( -0.494 3.009 -1.483) 3.391 1.650 ( -1.875 4.647 0.238) 5.017 1.674 ( -1.315 -1.945 -0.855) 2.498 1.717 ( -0.127 1.689 0.162) 1.702 1.726 ( -1.824 2.326 -0.241) 2.966 1.736 ( -1.025 3.113 0.853) 3.386 1.763 ( -1.627 2.746 -0.313) 3.207 1.808 ( 0.140 1.944 -0.143) 1.954 1.839 ( -0.462 1.106 2.047) 2.372 1.865 ( -1.164 -2.979 -0.857) 3.312 1.910 ( 2.360 -0.294 0.396) 2.411 1.942 ( 0.847 -0.124 -0.036) 0.857 2.000 ( -1.667 4.979 1.551) 5.475 2.016 ( 0.121 4.241 -0.581) 4.282 2.049 ( 1.416 0.829 -0.964) 1.903 2.093 ( 2.160 3.687 -0.395) 4.291 2.132 ( -1.795 -3.786 0.065) 4.190 2.158 ( -0.506 -4.021 -0.875) 4.146 2.207 ( -0.765 2.154 0.452) 2.330 2.225 ( -0.487 1.085 0.588) 1.326 2.259 ( 1.999 2.714 -1.643) 3.750 2.278 ( 2.026 1.308 -0.906) 2.576 2.551 ( 0.400 2.616 2.513) 3.649 2.564 ( 1.464 2.760 -0.538) 3.170 2.612 ( -1.744 -2.469 1.191) 3.249 2.622 ( -0.841 -2.446 -0.564) 2.647 2.689 ( -0.037 3.191 -0.097) 3.193 2.703 ( 0.059 2.342 0.812) 2.479 2.765 ( 0.534 2.230 -1.244) 2.609 2.791 ( 1.244 0.864 -0.179) 1.525 2.814 ( -0.551 2.865 -0.328) 2.936 2.826 ( -0.714 2.187 0.541) 2.364 2.852 ( -1.202 0.570 -0.515) 1.426 2.856 ( -0.538 1.024 0.239) 1.181 3.023 ( -0.794 -0.851 -0.120) 1.170 3.037 ( -0.420 -0.486 0.121) 0.654 3.061 ( -0.619 -2.847 0.078) 2.915 3.062 ( -0.502 -3.227 0.078) 3.267 3.159 ( -0.502 0.812 -1.058) 1.424 3.176 ( -0.630 -0.262 -0.233) 0.721 3.192 ( -0.842 -0.076 0.713) 1.106 3.214 ( -0.646 -1.765 0.434) 1.929 3.271 ( -0.134 0.087 0.193) 0.251 3.277 ( -0.195 -0.272 0.101) 0.349 3.288 ( 0.216 -1.017 0.055) 1.041 3.303 ( 0.462 -1.996 -0.264) 2.066 3.439 ( 1.129 1.408 0.224) 1.819 3.443 ( 1.438 1.129 -0.313) 1.855 3.471 ( 0.343 1.014 -0.038) 1.071 3.476 ( 0.282 0.574 0.219) 0.676 3.893 ( 0.514 1.409 -0.001) 1.499 3.907 ( 1.088 1.455 -0.569) 1.904 3.923 ( 0.896 -0.549 0.190) 1.068 3.941 ( 1.623 -1.019 0.341) 1.947 4.099 ( 0.390 5.533 -0.227) 5.551 4.106 ( 0.440 5.389 0.270) 5.413 4.214 ( -0.025 -4.532 0.218) 4.538 4.228 ( 0.674 -4.594 -0.099) 4.644 4.348 ( -0.931 2.331 0.021) 2.510 4.372 ( 0.568 1.140 0.207) 1.291 4.390 ( -1.017 -2.177 0.209) 2.412 4.398 ( -0.583 -1.565 -0.403) 1.718 4.677 ( -0.042 1.233 0.028) 1.234 4.692 ( -0.238 0.431 0.229) 0.544 4.712 ( -0.914 0.815 -0.183) 1.238 4.750 ( -0.146 -2.081 -0.146) 2.091 5.391 ( 0.055 0.697 0.127) 0.711 5.395 ( 0.314 0.462 -0.310) 0.639 5.403 ( 0.063 -0.232 0.231) 0.333 5.407 ( 0.223 -0.394 -0.068) 0.458 5.671 ( 0.298 -0.509 -0.179) 0.616 5.678 ( 0.184 -0.907 -0.142) 0.936 5.680 ( 0.200 -0.760 -0.107) 0.793 5.689 ( 0.141 -1.348 0.485) 1.439 6.028 ( -0.101 2.092 0.142) 2.099 6.033 ( -0.355 1.960 0.134) 1.996 6.035 ( 0.279 1.627 -0.102) 1.654 6.040 ( 0.015 1.426 -0.220) 1.443 6.388 ( 0.001 1.045 -0.014) 1.045 6.389 ( 0.039 0.979 0.040) 0.981 6.400 ( -0.094 0.898 -0.042) 0.904 6.401 ( -0.158 0.854 0.103) 0.875 6.726 ( -0.292 -0.330 0.066) 0.445 6.729 ( -0.092 -0.612 -0.049) 0.621 6.737 ( -0.178 -1.381 -0.123) 1.398 6.741 ( -0.120 -1.611 0.110) 1.619 7.187 ( 0.285 0.422 0.124) 0.524 7.190 ( 0.414 0.148 0.027) 0.441 7.211 ( -0.658 0.489 -0.067) 0.822 7.214 ( -0.550 0.216 -0.078) 0.596 7.333 ( -0.033 -0.794 -0.013) 0.795 7.336 ( 0.099 -0.850 0.111) 0.863 7.340 ( -0.184 -0.935 -0.281) 0.994 7.348 ( 0.077 -1.332 0.019) 1.335 7.697 ( 0.119 1.840 -0.233) 1.859 7.700 ( 0.043 1.883 0.257) 1.901 7.708 ( -0.272 0.787 -0.402) 0.925 7.712 ( -0.353 0.758 0.389) 0.922 7.996 ( 1.143 0.372 0.164) 1.214 8.003 ( 1.039 -0.108 0.229) 1.069 8.014 ( 0.577 0.230 -0.036) 0.623 8.027 ( 0.852 -0.780 -0.354) 1.208 8.330 ( -0.903 1.452 0.102) 1.713 8.336 ( -0.427 1.036 -0.201) 1.139 8.367 ( -0.611 -1.899 -0.097) 1.997 8.373 ( -0.474 -2.255 0.061) 2.305 8.558 ( -0.259 -0.371 0.008) 0.452 8.562 ( -0.102 -0.601 -0.303) 0.680 8.570 ( -0.235 -1.713 0.108) 1.733 8.585 ( 0.192 -2.484 0.234) 2.503 12.271 ( -0.157 -0.015 -0.022) 0.159 12.273 ( -0.072 -0.175 -0.083) 0.207 12.277 ( -0.054 -0.470 0.014) 0.473 12.278 ( -0.022 -0.663 0.067) 0.667 12.421 ( 0.072 -0.401 -0.012) 0.407 12.422 ( 0.109 -0.474 0.063) 0.490 12.422 ( 0.068 -0.542 -0.040) 0.548 12.423 ( 0.043 -0.573 0.049) 0.577 15.431 ( -0.381 -0.938 0.219) 1.036 15.437 ( -0.395 -1.575 0.345) 1.660 15.472 ( 0.340 -1.093 -0.195) 1.161 15.476 ( 0.223 -1.531 -0.317) 1.579 15.809 ( -0.589 1.413 0.610) 1.648 15.813 ( -0.512 1.054 0.866) 1.457 15.861 ( 0.651 2.266 -0.811) 2.494 15.877 ( 1.433 0.723 -1.108) 1.950 16.080 ( -1.651 2.966 1.219) 3.607 16.117 ( -0.547 0.408 0.874) 1.109 16.127 ( -0.217 1.912 -0.669) 2.037 16.154 ( 0.384 -0.288 -0.960) 1.073 16.273 ( 0.233 -1.427 -0.266) 1.470 16.294 ( 0.582 -2.933 0.078) 2.991 16.346 ( -0.303 -3.671 0.295) 3.695 16.353 ( -0.008 -4.338 -0.506) 4.367 16.584 ( -1.824 3.720 1.928) 4.570 16.622 ( -1.605 -0.105 1.837) 2.441 16.678 ( 2.644 1.776 -1.519) 3.529 16.694 ( 2.370 0.129 -2.585) 3.509 17.691 ( -2.654 -1.377 2.784) 4.086 17.710 ( -1.655 -3.099 1.747) 3.923 17.747 ( 1.828 -1.696 -2.266) 3.369 17.764 ( 1.468 -3.276 -1.773) 4.004=================== 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 3/14112 10.0 2.587 3.733 1.712 0.000 -0.660 0.000 3/14112 20.0 0.677 1.479 0.450 0.000 -0.143 0.000 3/14112 30.0 0.383 0.948 0.259 0.000 -0.075 0.000 3/14112 40.0 0.271 0.702 0.185 0.000 -0.051 0.000 3/14112 50.0 0.212 0.562 0.145 0.000 -0.039 0.000 3/14112 60.0 0.175 0.472 0.120 0.000 -0.031 0.000 3/14112 70.0 0.150 0.409 0.102 0.000 -0.026 0.000 3/14112 80.0 0.131 0.363 0.090 0.000 -0.023 0.000 3/14112 90.0 0.117 0.327 0.080 0.000 -0.020 0.000 3/14112 100.0 0.106 0.299 0.072 0.000 -0.018 0.000 3/14112 110.0 0.097 0.276 0.066 0.000 -0.017 0.000 3/14112 120.0 0.090 0.258 0.061 0.000 -0.016 0.000 3/14112 130.0 0.084 0.243 0.057 0.000 -0.015 0.000 3/14112 140.0 0.079 0.230 0.054 0.000 -0.014 0.000 3/14112 150.0 0.075 0.220 0.051 0.000 -0.013 0.000 3/14112 160.0 0.071 0.211 0.049 0.000 -0.013 0.000 3/14112 170.0 0.069 0.203 0.047 0.000 -0.013 0.000 3/14112 180.0 0.066 0.196 0.045 0.000 -0.012 0.000 3/14112 190.0 0.064 0.189 0.044 0.000 -0.012 0.000 3/14112 200.0 0.062 0.184 0.042 0.000 -0.012 0.000 3/14112 210.0 0.060 0.178 0.041 0.000 -0.012 0.000 3/14112 220.0 0.058 0.174 0.040 0.000 -0.011 0.000 3/14112 230.0 0.056 0.169 0.039 0.000 -0.011 0.000 3/14112 240.0 0.055 0.165 0.038 0.000 -0.011 0.000 3/14112 250.0 0.054 0.161 0.037 0.000 -0.011 0.000 3/14112 260.0 0.052 0.157 0.036 0.000 -0.011 0.000 3/14112 270.0 0.051 0.154 0.035 0.000 -0.011 0.000 3/14112 280.0 0.050 0.151 0.035 0.000 -0.011 0.000 3/14112 290.0 0.049 0.147 0.034 0.000 -0.010 0.000 3/14112 300.0 0.048 0.144 0.033 0.000 -0.010 0.000 3/14112 310.0 0.047 0.141 0.032 0.000 -0.010 0.000 3/14112 320.0 0.046 0.138 0.032 0.000 -0.010 0.000 3/14112 330.0 0.045 0.136 0.031 0.000 -0.010 0.000 3/14112 340.0 0.044 0.133 0.030 0.000 -0.010 0.000 3/14112 350.0 0.043 0.131 0.030 0.000 -0.010 0.000 3/14112 360.0 0.042 0.128 0.029 0.000 -0.009 0.000 3/14112 370.0 0.041 0.126 0.029 0.000 -0.009 0.000 3/14112 380.0 0.041 0.123 0.028 0.000 -0.009 0.000 3/14112 390.0 0.040 0.121 0.028 0.000 -0.009 0.000 3/14112 400.0 0.039 0.119 0.027 0.000 -0.009 0.000 3/14112 410.0 0.038 0.117 0.027 0.000 -0.009 0.000 3/14112 420.0 0.038 0.115 0.026 0.000 -0.009 0.000 3/14112 430.0 0.037 0.113 0.026 0.000 -0.008 0.000 3/14112 440.0 0.036 0.111 0.025 0.000 -0.008 0.000 3/14112 450.0 0.036 0.109 0.025 0.000 -0.008 0.000 3/14112 460.0 0.035 0.107 0.024 0.000 -0.008 0.000 3/14112 470.0 0.035 0.106 0.024 0.000 -0.008 0.000 3/14112 480.0 0.034 0.104 0.024 0.000 -0.008 0.000 3/14112 490.0 0.033 0.102 0.023 0.000 -0.008 0.000 3/14112 500.0 0.033 0.101 0.023 0.000 -0.008 0.000 3/14112 510.0 0.032 0.099 0.023 0.000 -0.008 0.000 3/14112 520.0 0.032 0.098 0.022 0.000 -0.007 0.000 3/14112 530.0 0.031 0.096 0.022 0.000 -0.007 0.000 3/14112 540.0 0.031 0.095 0.022 0.000 -0.007 0.000 3/14112 550.0 0.030 0.094 0.021 0.000 -0.007 0.000 3/14112 560.0 0.030 0.092 0.021 0.000 -0.007 0.000 3/14112 570.0 0.030 0.091 0.021 0.000 -0.007 0.000 3/14112 580.0 0.029 0.090 0.020 0.000 -0.007 0.000 3/14112 590.0 0.029 0.088 0.020 0.000 -0.007 0.000 3/14112 600.0 0.028 0.087 0.020 0.000 -0.007 0.000 3/14112 610.0 0.028 0.086 0.020 0.000 -0.007 0.000 3/14112 620.0 0.028 0.085 0.019 0.000 -0.007 0.000 3/14112 630.0 0.027 0.084 0.019 0.000 -0.006 0.000 3/14112 640.0 0.027 0.083 0.019 0.000 -0.006 0.000 3/14112 650.0 0.026 0.082 0.018 0.000 -0.006 0.000 3/14112 660.0 0.026 0.081 0.018 0.000 -0.006 0.000 3/14112 670.0 0.026 0.080 0.018 0.000 -0.006 0.000 3/14112 680.0 0.025 0.079 0.018 0.000 -0.006 0.000 3/14112 690.0 0.025 0.078 0.018 0.000 -0.006 0.000 3/14112 700.0 0.025 0.077 0.017 0.000 -0.006 0.000 3/14112 710.0 0.025 0.076 0.017 0.000 -0.006 0.000 3/14112 720.0 0.024 0.075 0.017 0.000 -0.006 0.000 3/14112 730.0 0.024 0.074 0.017 0.000 -0.006 0.000 3/14112 740.0 0.024 0.073 0.017 0.000 -0.006 0.000 3/14112 750.0 0.023 0.072 0.016 0.000 -0.006 0.000 3/14112 760.0 0.023 0.071 0.016 0.000 -0.006 0.000 3/14112 770.0 0.023 0.071 0.016 0.000 -0.005 0.000 3/14112 780.0 0.023 0.070 0.016 0.000 -0.005 0.000 3/14112 790.0 0.022 0.069 0.016 0.000 -0.005 0.000 3/14112 800.0 0.022 0.068 0.015 0.000 -0.005 0.000 3/14112 810.0 0.022 0.068 0.015 0.000 -0.005 0.000 3/14112 820.0 0.022 0.067 0.015 0.000 -0.005 0.000 3/14112 830.0 0.021 0.066 0.015 0.000 -0.005 0.000 3/14112 840.0 0.021 0.065 0.015 0.000 -0.005 0.000 3/14112 850.0 0.021 0.065 0.015 0.000 -0.005 0.000 3/14112 860.0 0.021 0.064 0.014 0.000 -0.005 0.000 3/14112 870.0 0.020 0.063 0.014 0.000 -0.005 0.000 3/14112 880.0 0.020 0.063 0.014 0.000 -0.005 0.000 3/14112 890.0 0.020 0.062 0.014 0.000 -0.005 0.000 3/14112 900.0 0.020 0.062 0.014 0.000 -0.005 0.000 3/14112 910.0 0.020 0.061 0.014 0.000 -0.005 0.000 3/14112 920.0 0.019 0.060 0.014 0.000 -0.005 0.000 3/14112 930.0 0.019 0.060 0.013 0.000 -0.005 0.000 3/14112 940.0 0.019 0.059 0.013 0.000 -0.005 0.000 3/14112 950.0 0.019 0.059 0.013 0.000 -0.005 0.000 3/14112 960.0 0.019 0.058 0.013 0.000 -0.005 0.000 3/14112 970.0 0.019 0.058 0.013 0.000 -0.004 0.000 3/14112 980.0 0.018 0.057 0.013 0.000 -0.004 0.000 3/14112 990.0 0.018 0.057 0.013 0.000 -0.004 0.000 3/14112 1000.0 0.018 0.056 0.013 0.000 -0.004 0.000 3/14112Thermal conductivity related properties were written into "kappa-m473.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 19:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|