----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:21:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616093541437337 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): *1 P 0.26462726596940 0.46437005420146 0.77960719207605 30.974 *2 P 0.63364982819741 0.68169382701560 0.21836913991453 30.974 3 P 0.36635017180259 0.18169382701560 0.28163086008547 30.974 *4 P 0.88866026451191 0.28416561777688 0.72507380947084 30.974 5 P 0.11133973548809 0.78416561777688 0.77492619052916 30.974 6 P 0.11133973548809 0.71583438222312 0.27492619052916 30.974 7 P 0.88866026451191 0.21583438222312 0.22507380947084 30.974 *8 P 0.21125150100326 0.44560065138304 0.25542108960505 30.974 9 P 0.78874849899674 0.94560065138304 0.24457891039495 30.974 10 P 0.78874849899674 0.55439934861696 0.74457891039495 30.974 11 P 0.36635017180259 0.31830617298440 0.78163086008547 30.974 12 P 0.21125150100326 0.05439934861696 0.75542108960505 30.974 13 P 0.26462726596940 0.03562994579854 0.27960719207605 30.974 14 P 0.73537273403060 0.53562994579854 0.22039280792395 30.974 15 P 0.73537273403060 0.96437005420146 0.72039280792395 30.974 16 P 0.63364982819741 0.81830617298440 0.71836913991453 30.974 *17 K 0.48921864812033 0.88260379280065 0.93405939156304 39.098 18 K 0.48921864812033 0.61739620719935 0.43405939156304 39.098 19 K 0.51078135187967 0.11739620719935 0.06594060843696 39.098 *20 K 0.78601798371057 0.38734247574235 0.97266922271770 39.098 *21 K 0.98753439963617 0.37200902160755 0.46322474564443 39.098 22 K 0.21398201628943 0.61265752425765 0.02733077728230 39.098 23 K 0.78601798371057 0.11265752425765 0.47266922271770 39.098 *24 K 0.42495892655639 0.13302511423744 0.59983478110326 39.098 25 K 0.57504107344361 0.63302511423744 0.90016521889674 39.098 26 K 0.57504107344361 0.86697488576256 0.40016521889674 39.098 27 K 0.42495892655639 0.36697488576256 0.09983478110326 39.098 28 K 0.98753439963617 0.12799097839245 0.96322474564443 39.098 29 K 0.01246560036383 0.62799097839245 0.53677525435557 39.098 30 K 0.01246560036383 0.87200902160755 0.03677525435557 39.098 31 K 0.51078135187967 0.38260379280065 0.56594060843696 39.098 32 K 0.21398201628943 0.88734247574235 0.52733077728230 39.098 *33 Ga 0.99080889302938 0.44056525247088 0.75875677597844 69.723 34 Ga 0.00919110697062 0.94056525247088 0.74124322402156 69.723 35 Ga 0.00919110697062 0.55943474752912 0.24124322402156 69.723 *36 Ga 0.14508685040428 0.21550757813833 0.75323227266368 69.723 37 Ga 0.85491314959572 0.71550757813833 0.74676772733632 69.723 38 Ga 0.85491314959572 0.78449242186167 0.24676772733632 69.723 39 Ga 0.14508685040428 0.28449242186167 0.25323227266368 69.723 40 Ga 0.99080889302938 0.05943474752912 0.25875677597844 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.616093541437337 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): *1 P 0.26462726596940 0.46437005420146 0.77960719207605 30.974 > 1 *2 P 0.63364982819741 0.68169382701560 0.21836913991453 30.974 > 2 3 P 0.36635017180259 0.18169382701560 0.28163086008547 30.974 > 3 *4 P 0.88866026451191 0.28416561777688 0.72507380947084 30.974 > 4 5 P 0.11133973548809 0.78416561777688 0.77492619052916 30.974 > 5 6 P 0.11133973548809 0.71583438222312 0.27492619052916 30.974 > 6 7 P 0.88866026451191 0.21583438222312 0.22507380947084 30.974 > 7 *8 P 0.21125150100326 0.44560065138304 0.25542108960505 30.974 > 8 9 P 0.78874849899674 0.94560065138304 0.24457891039495 30.974 > 9 10 P 0.78874849899674 0.55439934861696 0.74457891039495 30.974 > 10 11 P 0.36635017180259 0.31830617298440 0.78163086008547 30.974 > 11 12 P 0.21125150100326 0.05439934861696 0.75542108960505 30.974 > 12 13 P 0.26462726596940 0.03562994579854 0.27960719207605 30.974 > 13 14 P 0.73537273403060 0.53562994579854 0.22039280792395 30.974 > 14 15 P 0.73537273403060 0.96437005420146 0.72039280792395 30.974 > 15 16 P 0.63364982819741 0.81830617298440 0.71836913991453 30.974 > 16 *17 K 0.48921864812033 0.88260379280065 0.93405939156304 39.098 > 17 18 K 0.48921864812033 0.61739620719935 0.43405939156304 39.098 > 18 19 K 0.51078135187967 0.11739620719935 0.06594060843696 39.098 > 19 *20 K 0.78601798371057 0.38734247574235 0.97266922271770 39.098 > 20 *21 K 0.98753439963617 0.37200902160755 0.46322474564443 39.098 > 21 22 K 0.21398201628943 0.61265752425765 0.02733077728230 39.098 > 22 23 K 0.78601798371057 0.11265752425765 0.47266922271770 39.098 > 23 *24 K 0.42495892655639 0.13302511423744 0.59983478110326 39.098 > 24 25 K 0.57504107344361 0.63302511423744 0.90016521889674 39.098 > 25 26 K 0.57504107344361 0.86697488576256 0.40016521889674 39.098 > 26 27 K 0.42495892655639 0.36697488576256 0.09983478110326 39.098 > 27 28 K 0.98753439963617 0.12799097839245 0.96322474564443 39.098 > 28 29 K 0.01246560036383 0.62799097839245 0.53677525435557 39.098 > 29 30 K 0.01246560036383 0.87200902160755 0.03677525435557 39.098 > 30 31 K 0.51078135187967 0.38260379280065 0.56594060843696 39.098 > 31 32 K 0.21398201628943 0.88734247574235 0.52733077728230 39.098 > 32 *33 Ga 0.99080889302938 0.44056525247088 0.75875677597844 69.723 > 33 34 Ga 0.00919110697062 0.94056525247088 0.74124322402156 69.723 > 34 35 Ga 0.00919110697062 0.55943474752912 0.24124322402156 69.723 > 35 *36 Ga 0.14508685040428 0.21550757813833 0.75323227266368 69.723 > 36 37 Ga 0.85491314959572 0.71550757813833 0.74676772733632 69.723 > 37 38 Ga 0.85491314959572 0.78449242186167 0.24676772733632 69.723 > 38 39 Ga 0.14508685040428 0.28449242186167 0.25323227266368 69.723 > 39 40 Ga 0.99080889302938 0.05943474752912 0.25875677597844 69.723 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.232187082874674 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): *1 P 0.13231363298470 0.46437005420146 0.77960719207605 30.974 > 1 2 P 0.63231363298470 0.46437005420146 0.77960719207605 30.974 > 1 *3 P 0.31682491409871 0.68169382701560 0.21836913991453 30.974 > 2 4 P 0.81682491409870 0.68169382701560 0.21836913991453 30.974 > 2 5 P 0.18317508590129 0.18169382701560 0.28163086008547 30.974 > 3 6 P 0.68317508590130 0.18169382701560 0.28163086008547 30.974 > 3 *7 P 0.44433013225596 0.28416561777688 0.72507380947084 30.974 > 4 8 P 0.94433013225595 0.28416561777688 0.72507380947084 30.974 > 4 9 P 0.05566986774404 0.78416561777688 0.77492619052916 30.974 > 5 10 P 0.55566986774405 0.78416561777688 0.77492619052916 30.974 > 5 11 P 0.05566986774404 0.71583438222312 0.27492619052916 30.974 > 6 12 P 0.55566986774405 0.71583438222312 0.27492619052916 30.974 > 6 13 P 0.44433013225596 0.21583438222312 0.22507380947084 30.974 > 7 14 P 0.94433013225595 0.21583438222312 0.22507380947084 30.974 > 7 *15 P 0.10562575050163 0.44560065138304 0.25542108960505 30.974 > 8 16 P 0.60562575050163 0.44560065138304 0.25542108960505 30.974 > 8 17 P 0.39437424949837 0.94560065138304 0.24457891039495 30.974 > 9 18 P 0.89437424949837 0.94560065138304 0.24457891039495 30.974 > 9 19 P 0.39437424949837 0.55439934861696 0.74457891039495 30.974 > 10 20 P 0.89437424949837 0.55439934861696 0.74457891039495 30.974 > 10 21 P 0.18317508590129 0.31830617298440 0.78163086008547 30.974 > 11 22 P 0.68317508590130 0.31830617298440 0.78163086008547 30.974 > 11 23 P 0.10562575050163 0.05439934861696 0.75542108960505 30.974 > 12 24 P 0.60562575050163 0.05439934861696 0.75542108960505 30.974 > 12 25 P 0.13231363298470 0.03562994579854 0.27960719207605 30.974 > 13 26 P 0.63231363298470 0.03562994579854 0.27960719207605 30.974 > 13 27 P 0.36768636701530 0.53562994579854 0.22039280792395 30.974 > 14 28 P 0.86768636701530 0.53562994579854 0.22039280792395 30.974 > 14 29 P 0.36768636701530 0.96437005420146 0.72039280792395 30.974 > 15 30 P 0.86768636701530 0.96437005420146 0.72039280792395 30.974 > 15 31 P 0.31682491409871 0.81830617298440 0.71836913991453 30.974 > 16 32 P 0.81682491409870 0.81830617298440 0.71836913991453 30.974 > 16 *33 K 0.24460932406016 0.88260379280065 0.93405939156304 39.098 > 17 34 K 0.74460932406016 0.88260379280065 0.93405939156304 39.098 > 17 35 K 0.24460932406016 0.61739620719935 0.43405939156304 39.098 > 18 36 K 0.74460932406016 0.61739620719935 0.43405939156304 39.098 > 18 37 K 0.25539067593984 0.11739620719935 0.06594060843696 39.098 > 19 38 K 0.75539067593984 0.11739620719935 0.06594060843696 39.098 > 19 *39 K 0.39300899185529 0.38734247574235 0.97266922271770 39.098 > 20 40 K 0.89300899185529 0.38734247574235 0.97266922271770 39.098 > 20 *41 K 0.49376719981809 0.37200902160755 0.46322474564443 39.098 > 21 42 K 0.99376719981809 0.37200902160755 0.46322474564443 39.098 > 21 43 K 0.10699100814471 0.61265752425765 0.02733077728230 39.098 > 22 44 K 0.60699100814471 0.61265752425765 0.02733077728230 39.098 > 22 45 K 0.39300899185529 0.11265752425765 0.47266922271770 39.098 > 23 46 K 0.89300899185529 0.11265752425765 0.47266922271770 39.098 > 23 *47 K 0.21247946327820 0.13302511423744 0.59983478110326 39.098 > 24 48 K 0.71247946327820 0.13302511423744 0.59983478110326 39.098 > 24 49 K 0.28752053672180 0.63302511423744 0.90016521889674 39.098 > 25 50 K 0.78752053672180 0.63302511423744 0.90016521889674 39.098 > 25 51 K 0.28752053672180 0.86697488576256 0.40016521889674 39.098 > 26 52 K 0.78752053672180 0.86697488576256 0.40016521889674 39.098 > 26 53 K 0.21247946327820 0.36697488576256 0.09983478110326 39.098 > 27 54 K 0.71247946327820 0.36697488576256 0.09983478110326 39.098 > 27 55 K 0.49376719981809 0.12799097839245 0.96322474564443 39.098 > 28 56 K 0.99376719981809 0.12799097839245 0.96322474564443 39.098 > 28 57 K 0.00623280018191 0.62799097839245 0.53677525435557 39.098 > 29 58 K 0.50623280018191 0.62799097839245 0.53677525435557 39.098 > 29 59 K 0.00623280018191 0.87200902160755 0.03677525435557 39.098 > 30 60 K 0.50623280018191 0.87200902160755 0.03677525435557 39.098 > 30 61 K 0.25539067593984 0.38260379280065 0.56594060843696 39.098 > 31 62 K 0.75539067593984 0.38260379280065 0.56594060843696 39.098 > 31 63 K 0.10699100814471 0.88734247574235 0.52733077728230 39.098 > 32 64 K 0.60699100814471 0.88734247574235 0.52733077728230 39.098 > 32 *65 Ga 0.49540444651469 0.44056525247088 0.75875677597844 69.723 > 33 66 Ga 0.99540444651469 0.44056525247088 0.75875677597844 69.723 > 33 67 Ga 0.00459555348531 0.94056525247088 0.74124322402156 69.723 > 34 68 Ga 0.50459555348531 0.94056525247088 0.74124322402156 69.723 > 34 69 Ga 0.00459555348531 0.55943474752912 0.24124322402156 69.723 > 35 70 Ga 0.50459555348531 0.55943474752912 0.24124322402156 69.723 > 35 *71 Ga 0.07254342520214 0.21550757813833 0.75323227266368 69.723 > 36 72 Ga 0.57254342520214 0.21550757813833 0.75323227266368 69.723 > 36 73 Ga 0.42745657479786 0.71550757813833 0.74676772733632 69.723 > 37 74 Ga 0.92745657479786 0.71550757813833 0.74676772733632 69.723 > 37 75 Ga 0.42745657479786 0.78449242186167 0.24676772733632 69.723 > 38 76 Ga 0.92745657479786 0.78449242186167 0.24676772733632 69.723 > 38 77 Ga 0.07254342520214 0.28449242186167 0.25323227266368 69.723 > 39 78 Ga 0.57254342520214 0.28449242186167 0.25323227266368 69.723 > 39 79 Ga 0.49540444651469 0.05943474752912 0.25875677597844 69.723 > 40 80 Ga 0.99540444651469 0.05943474752912 0.25875677597844 69.723 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6688610 0.0000000 0.0766727 0.0000000 7.7225249 0.0000000 0.0766668 0.0000000 4.1125620 -------------------------- Born effective charges -------------------------- 1 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 2 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 3 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 4 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 5 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 6 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 7 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 8 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 9 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 10 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 11 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 12 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 13 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 14 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 15 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 16 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 17 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 18 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 19 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 20 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 21 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 22 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 23 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 24 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 25 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 26 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 27 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 28 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 29 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 30 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 31 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 32 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 33 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 34 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 35 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 36 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 37 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 38 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 39 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 40 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.812 Solver_block: 200 / 1200 - Time: 0.681 Solver_block: 300 / 1200 - Time: 0.694 Solver_block: 400 / 1200 - Time: 0.641 Solver_block: 500 / 1200 - Time: 0.658 Solver_block: 600 / 1200 - Time: 0.619 Solver_block: 700 / 1200 - Time: 0.660 Solver_block: 800 / 1200 - Time: 1.289 Solver_block: 900 / 1200 - Time: 0.824 Solver_block: 1000 / 1200 - Time: 0.805 Solver_block: 1100 / 1200 - Time: 0.727 Solver_block: 1200 / 1200 - Time: 0.868 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.915 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:22:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:22:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616093541437337 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): 1 P 0.26462726596940 0.46437005420146 0.77960719207605 30.974 2 P 0.63364982819741 0.68169382701560 0.21836913991453 30.974 3 P 0.36635017180259 0.18169382701560 0.28163086008547 30.974 4 P 0.88866026451191 0.28416561777688 0.72507380947084 30.974 5 P 0.11133973548809 0.78416561777688 0.77492619052916 30.974 6 P 0.11133973548809 0.71583438222312 0.27492619052916 30.974 7 P 0.88866026451191 0.21583438222312 0.22507380947084 30.974 8 P 0.21125150100326 0.44560065138304 0.25542108960505 30.974 9 P 0.78874849899674 0.94560065138304 0.24457891039495 30.974 10 P 0.78874849899674 0.55439934861696 0.74457891039495 30.974 11 P 0.36635017180259 0.31830617298440 0.78163086008547 30.974 12 P 0.21125150100326 0.05439934861696 0.75542108960505 30.974 13 P 0.26462726596940 0.03562994579854 0.27960719207605 30.974 14 P 0.73537273403060 0.53562994579854 0.22039280792395 30.974 15 P 0.73537273403060 0.96437005420146 0.72039280792395 30.974 16 P 0.63364982819741 0.81830617298440 0.71836913991453 30.974 17 K 0.48921864812033 0.88260379280065 0.93405939156304 39.098 18 K 0.48921864812033 0.61739620719935 0.43405939156304 39.098 19 K 0.51078135187967 0.11739620719935 0.06594060843696 39.098 20 K 0.78601798371057 0.38734247574235 0.97266922271770 39.098 21 K 0.98753439963617 0.37200902160755 0.46322474564443 39.098 22 K 0.21398201628943 0.61265752425765 0.02733077728230 39.098 23 K 0.78601798371057 0.11265752425765 0.47266922271770 39.098 24 K 0.42495892655639 0.13302511423744 0.59983478110326 39.098 25 K 0.57504107344361 0.63302511423744 0.90016521889674 39.098 26 K 0.57504107344361 0.86697488576256 0.40016521889674 39.098 27 K 0.42495892655639 0.36697488576256 0.09983478110326 39.098 28 K 0.98753439963617 0.12799097839245 0.96322474564443 39.098 29 K 0.01246560036383 0.62799097839245 0.53677525435557 39.098 30 K 0.01246560036383 0.87200902160755 0.03677525435557 39.098 31 K 0.51078135187967 0.38260379280065 0.56594060843696 39.098 32 K 0.21398201628943 0.88734247574235 0.52733077728230 39.098 33 Ga 0.99080889302938 0.44056525247088 0.75875677597844 69.723 34 Ga 0.00919110697062 0.94056525247088 0.74124322402156 69.723 35 Ga 0.00919110697062 0.55943474752912 0.24124322402156 69.723 36 Ga 0.14508685040428 0.21550757813833 0.75323227266368 69.723 37 Ga 0.85491314959572 0.71550757813833 0.74676772733632 69.723 38 Ga 0.85491314959572 0.78449242186167 0.24676772733632 69.723 39 Ga 0.14508685040428 0.28449242186167 0.25323227266368 69.723 40 Ga 0.99080889302938 0.05943474752912 0.25875677597844 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.232187082874674 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): 1 P 0.13231363298470 0.46437005420146 0.77960719207605 30.974 > 1 2 P 0.63231363298470 0.46437005420146 0.77960719207605 30.974 > 1 3 P 0.31682491409871 0.68169382701560 0.21836913991453 30.974 > 3 4 P 0.81682491409870 0.68169382701560 0.21836913991453 30.974 > 3 5 P 0.18317508590129 0.18169382701560 0.28163086008547 30.974 > 5 6 P 0.68317508590130 0.18169382701560 0.28163086008547 30.974 > 5 7 P 0.44433013225596 0.28416561777688 0.72507380947084 30.974 > 7 8 P 0.94433013225595 0.28416561777688 0.72507380947084 30.974 > 7 9 P 0.05566986774404 0.78416561777688 0.77492619052916 30.974 > 9 10 P 0.55566986774405 0.78416561777688 0.77492619052916 30.974 > 9 11 P 0.05566986774404 0.71583438222312 0.27492619052916 30.974 > 11 12 P 0.55566986774405 0.71583438222312 0.27492619052916 30.974 > 11 13 P 0.44433013225596 0.21583438222312 0.22507380947084 30.974 > 13 14 P 0.94433013225595 0.21583438222312 0.22507380947084 30.974 > 13 15 P 0.10562575050163 0.44560065138304 0.25542108960505 30.974 > 15 16 P 0.60562575050163 0.44560065138304 0.25542108960505 30.974 > 15 17 P 0.39437424949837 0.94560065138304 0.24457891039495 30.974 > 17 18 P 0.89437424949837 0.94560065138304 0.24457891039495 30.974 > 17 19 P 0.39437424949837 0.55439934861696 0.74457891039495 30.974 > 19 20 P 0.89437424949837 0.55439934861696 0.74457891039495 30.974 > 19 21 P 0.18317508590129 0.31830617298440 0.78163086008547 30.974 > 21 22 P 0.68317508590130 0.31830617298440 0.78163086008547 30.974 > 21 23 P 0.10562575050163 0.05439934861696 0.75542108960505 30.974 > 23 24 P 0.60562575050163 0.05439934861696 0.75542108960505 30.974 > 23 25 P 0.13231363298470 0.03562994579854 0.27960719207605 30.974 > 25 26 P 0.63231363298470 0.03562994579854 0.27960719207605 30.974 > 25 27 P 0.36768636701530 0.53562994579854 0.22039280792395 30.974 > 27 28 P 0.86768636701530 0.53562994579854 0.22039280792395 30.974 > 27 29 P 0.36768636701530 0.96437005420146 0.72039280792395 30.974 > 29 30 P 0.86768636701530 0.96437005420146 0.72039280792395 30.974 > 29 31 P 0.31682491409871 0.81830617298440 0.71836913991453 30.974 > 31 32 P 0.81682491409870 0.81830617298440 0.71836913991453 30.974 > 31 33 K 0.24460932406016 0.88260379280065 0.93405939156304 39.098 > 33 34 K 0.74460932406016 0.88260379280065 0.93405939156304 39.098 > 33 35 K 0.24460932406016 0.61739620719935 0.43405939156304 39.098 > 35 36 K 0.74460932406016 0.61739620719935 0.43405939156304 39.098 > 35 37 K 0.25539067593984 0.11739620719935 0.06594060843696 39.098 > 37 38 K 0.75539067593984 0.11739620719935 0.06594060843696 39.098 > 37 39 K 0.39300899185529 0.38734247574235 0.97266922271770 39.098 > 39 40 K 0.89300899185529 0.38734247574235 0.97266922271770 39.098 > 39 41 K 0.49376719981809 0.37200902160755 0.46322474564443 39.098 > 41 42 K 0.99376719981809 0.37200902160755 0.46322474564443 39.098 > 41 43 K 0.10699100814471 0.61265752425765 0.02733077728230 39.098 > 43 44 K 0.60699100814471 0.61265752425765 0.02733077728230 39.098 > 43 45 K 0.39300899185529 0.11265752425765 0.47266922271770 39.098 > 45 46 K 0.89300899185529 0.11265752425765 0.47266922271770 39.098 > 45 47 K 0.21247946327820 0.13302511423744 0.59983478110326 39.098 > 47 48 K 0.71247946327820 0.13302511423744 0.59983478110326 39.098 > 47 49 K 0.28752053672180 0.63302511423744 0.90016521889674 39.098 > 49 50 K 0.78752053672180 0.63302511423744 0.90016521889674 39.098 > 49 51 K 0.28752053672180 0.86697488576256 0.40016521889674 39.098 > 51 52 K 0.78752053672180 0.86697488576256 0.40016521889674 39.098 > 51 53 K 0.21247946327820 0.36697488576256 0.09983478110326 39.098 > 53 54 K 0.71247946327820 0.36697488576256 0.09983478110326 39.098 > 53 55 K 0.49376719981809 0.12799097839245 0.96322474564443 39.098 > 55 56 K 0.99376719981809 0.12799097839245 0.96322474564443 39.098 > 55 57 K 0.00623280018191 0.62799097839245 0.53677525435557 39.098 > 57 58 K 0.50623280018191 0.62799097839245 0.53677525435557 39.098 > 57 59 K 0.00623280018191 0.87200902160755 0.03677525435557 39.098 > 59 60 K 0.50623280018191 0.87200902160755 0.03677525435557 39.098 > 59 61 K 0.25539067593984 0.38260379280065 0.56594060843696 39.098 > 61 62 K 0.75539067593984 0.38260379280065 0.56594060843696 39.098 > 61 63 K 0.10699100814471 0.88734247574235 0.52733077728230 39.098 > 63 64 K 0.60699100814471 0.88734247574235 0.52733077728230 39.098 > 63 65 Ga 0.49540444651469 0.44056525247088 0.75875677597844 69.723 > 65 66 Ga 0.99540444651469 0.44056525247088 0.75875677597844 69.723 > 65 67 Ga 0.00459555348531 0.94056525247088 0.74124322402156 69.723 > 67 68 Ga 0.50459555348531 0.94056525247088 0.74124322402156 69.723 > 67 69 Ga 0.00459555348531 0.55943474752912 0.24124322402156 69.723 > 69 70 Ga 0.50459555348531 0.55943474752912 0.24124322402156 69.723 > 69 71 Ga 0.07254342520214 0.21550757813833 0.75323227266368 69.723 > 71 72 Ga 0.57254342520214 0.21550757813833 0.75323227266368 69.723 > 71 73 Ga 0.42745657479786 0.71550757813833 0.74676772733632 69.723 > 73 74 Ga 0.92745657479786 0.71550757813833 0.74676772733632 69.723 > 73 75 Ga 0.42745657479786 0.78449242186167 0.24676772733632 69.723 > 75 76 Ga 0.92745657479786 0.78449242186167 0.24676772733632 69.723 > 75 77 Ga 0.07254342520214 0.28449242186167 0.25323227266368 69.723 > 77 78 Ga 0.57254342520214 0.28449242186167 0.25323227266368 69.723 > 77 79 Ga 0.49540444651469 0.05943474752912 0.25875677597844 69.723 > 79 80 Ga 0.99540444651469 0.05943474752912 0.25875677597844 69.723 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6688610 0.0000000 0.0766727 0.0000000 7.7225249 0.0000000 0.0766668 0.0000000 4.1125620 -------------------------- Born effective charges -------------------------- 1 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 2 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 3 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 4 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 5 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 6 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 7 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 8 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 9 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 10 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 11 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 12 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 13 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 14 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 15 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 16 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 17 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 18 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 19 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 20 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 21 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 22 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 23 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 24 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 25 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 26 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 27 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 28 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 29 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 30 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 31 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 32 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 33 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 34 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 35 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 36 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 37 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 38 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 39 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 40 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 7, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 15, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 47, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 71, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:22:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:22:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.616093541437337 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): 1 P 0.26462726596940 0.46437005420146 0.77960719207605 30.974 2 P 0.63364982819741 0.68169382701560 0.21836913991453 30.974 3 P 0.36635017180259 0.18169382701560 0.28163086008547 30.974 4 P 0.88866026451191 0.28416561777688 0.72507380947084 30.974 5 P 0.11133973548809 0.78416561777688 0.77492619052916 30.974 6 P 0.11133973548809 0.71583438222312 0.27492619052916 30.974 7 P 0.88866026451191 0.21583438222312 0.22507380947084 30.974 8 P 0.21125150100326 0.44560065138304 0.25542108960505 30.974 9 P 0.78874849899674 0.94560065138304 0.24457891039495 30.974 10 P 0.78874849899674 0.55439934861696 0.74457891039495 30.974 11 P 0.36635017180259 0.31830617298440 0.78163086008547 30.974 12 P 0.21125150100326 0.05439934861696 0.75542108960505 30.974 13 P 0.26462726596940 0.03562994579854 0.27960719207605 30.974 14 P 0.73537273403060 0.53562994579854 0.22039280792395 30.974 15 P 0.73537273403060 0.96437005420146 0.72039280792395 30.974 16 P 0.63364982819741 0.81830617298440 0.71836913991453 30.974 17 K 0.48921864812033 0.88260379280065 0.93405939156304 39.098 18 K 0.48921864812033 0.61739620719935 0.43405939156304 39.098 19 K 0.51078135187967 0.11739620719935 0.06594060843696 39.098 20 K 0.78601798371057 0.38734247574235 0.97266922271770 39.098 21 K 0.98753439963617 0.37200902160755 0.46322474564443 39.098 22 K 0.21398201628943 0.61265752425765 0.02733077728230 39.098 23 K 0.78601798371057 0.11265752425765 0.47266922271770 39.098 24 K 0.42495892655639 0.13302511423744 0.59983478110326 39.098 25 K 0.57504107344361 0.63302511423744 0.90016521889674 39.098 26 K 0.57504107344361 0.86697488576256 0.40016521889674 39.098 27 K 0.42495892655639 0.36697488576256 0.09983478110326 39.098 28 K 0.98753439963617 0.12799097839245 0.96322474564443 39.098 29 K 0.01246560036383 0.62799097839245 0.53677525435557 39.098 30 K 0.01246560036383 0.87200902160755 0.03677525435557 39.098 31 K 0.51078135187967 0.38260379280065 0.56594060843696 39.098 32 K 0.21398201628943 0.88734247574235 0.52733077728230 39.098 33 Ga 0.99080889302938 0.44056525247088 0.75875677597844 69.723 34 Ga 0.00919110697062 0.94056525247088 0.74124322402156 69.723 35 Ga 0.00919110697062 0.55943474752912 0.24124322402156 69.723 36 Ga 0.14508685040428 0.21550757813833 0.75323227266368 69.723 37 Ga 0.85491314959572 0.71550757813833 0.74676772733632 69.723 38 Ga 0.85491314959572 0.78449242186167 0.24676772733632 69.723 39 Ga 0.14508685040428 0.28449242186167 0.25323227266368 69.723 40 Ga 0.99080889302938 0.05943474752912 0.25875677597844 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.232187082874674 0.000000000000000 0.000000000000000 b 0.000000000000000 13.900625780000000 0.000000000000000 c -5.240234934517974 0.000000000000000 9.580936364418571 Atomic positions (fractional): 1 P 0.13231363298470 0.46437005420146 0.77960719207605 30.974 > 1 2 P 0.63231363298470 0.46437005420146 0.77960719207605 30.974 > 1 3 P 0.31682491409871 0.68169382701560 0.21836913991453 30.974 > 3 4 P 0.81682491409870 0.68169382701560 0.21836913991453 30.974 > 3 5 P 0.18317508590129 0.18169382701560 0.28163086008547 30.974 > 5 6 P 0.68317508590130 0.18169382701560 0.28163086008547 30.974 > 5 7 P 0.44433013225596 0.28416561777688 0.72507380947084 30.974 > 7 8 P 0.94433013225595 0.28416561777688 0.72507380947084 30.974 > 7 9 P 0.05566986774404 0.78416561777688 0.77492619052916 30.974 > 9 10 P 0.55566986774405 0.78416561777688 0.77492619052916 30.974 > 9 11 P 0.05566986774404 0.71583438222312 0.27492619052916 30.974 > 11 12 P 0.55566986774405 0.71583438222312 0.27492619052916 30.974 > 11 13 P 0.44433013225596 0.21583438222312 0.22507380947084 30.974 > 13 14 P 0.94433013225595 0.21583438222312 0.22507380947084 30.974 > 13 15 P 0.10562575050163 0.44560065138304 0.25542108960505 30.974 > 15 16 P 0.60562575050163 0.44560065138304 0.25542108960505 30.974 > 15 17 P 0.39437424949837 0.94560065138304 0.24457891039495 30.974 > 17 18 P 0.89437424949837 0.94560065138304 0.24457891039495 30.974 > 17 19 P 0.39437424949837 0.55439934861696 0.74457891039495 30.974 > 19 20 P 0.89437424949837 0.55439934861696 0.74457891039495 30.974 > 19 21 P 0.18317508590129 0.31830617298440 0.78163086008547 30.974 > 21 22 P 0.68317508590130 0.31830617298440 0.78163086008547 30.974 > 21 23 P 0.10562575050163 0.05439934861696 0.75542108960505 30.974 > 23 24 P 0.60562575050163 0.05439934861696 0.75542108960505 30.974 > 23 25 P 0.13231363298470 0.03562994579854 0.27960719207605 30.974 > 25 26 P 0.63231363298470 0.03562994579854 0.27960719207605 30.974 > 25 27 P 0.36768636701530 0.53562994579854 0.22039280792395 30.974 > 27 28 P 0.86768636701530 0.53562994579854 0.22039280792395 30.974 > 27 29 P 0.36768636701530 0.96437005420146 0.72039280792395 30.974 > 29 30 P 0.86768636701530 0.96437005420146 0.72039280792395 30.974 > 29 31 P 0.31682491409871 0.81830617298440 0.71836913991453 30.974 > 31 32 P 0.81682491409870 0.81830617298440 0.71836913991453 30.974 > 31 33 K 0.24460932406016 0.88260379280065 0.93405939156304 39.098 > 33 34 K 0.74460932406016 0.88260379280065 0.93405939156304 39.098 > 33 35 K 0.24460932406016 0.61739620719935 0.43405939156304 39.098 > 35 36 K 0.74460932406016 0.61739620719935 0.43405939156304 39.098 > 35 37 K 0.25539067593984 0.11739620719935 0.06594060843696 39.098 > 37 38 K 0.75539067593984 0.11739620719935 0.06594060843696 39.098 > 37 39 K 0.39300899185529 0.38734247574235 0.97266922271770 39.098 > 39 40 K 0.89300899185529 0.38734247574235 0.97266922271770 39.098 > 39 41 K 0.49376719981809 0.37200902160755 0.46322474564443 39.098 > 41 42 K 0.99376719981809 0.37200902160755 0.46322474564443 39.098 > 41 43 K 0.10699100814471 0.61265752425765 0.02733077728230 39.098 > 43 44 K 0.60699100814471 0.61265752425765 0.02733077728230 39.098 > 43 45 K 0.39300899185529 0.11265752425765 0.47266922271770 39.098 > 45 46 K 0.89300899185529 0.11265752425765 0.47266922271770 39.098 > 45 47 K 0.21247946327820 0.13302511423744 0.59983478110326 39.098 > 47 48 K 0.71247946327820 0.13302511423744 0.59983478110326 39.098 > 47 49 K 0.28752053672180 0.63302511423744 0.90016521889674 39.098 > 49 50 K 0.78752053672180 0.63302511423744 0.90016521889674 39.098 > 49 51 K 0.28752053672180 0.86697488576256 0.40016521889674 39.098 > 51 52 K 0.78752053672180 0.86697488576256 0.40016521889674 39.098 > 51 53 K 0.21247946327820 0.36697488576256 0.09983478110326 39.098 > 53 54 K 0.71247946327820 0.36697488576256 0.09983478110326 39.098 > 53 55 K 0.49376719981809 0.12799097839245 0.96322474564443 39.098 > 55 56 K 0.99376719981809 0.12799097839245 0.96322474564443 39.098 > 55 57 K 0.00623280018191 0.62799097839245 0.53677525435557 39.098 > 57 58 K 0.50623280018191 0.62799097839245 0.53677525435557 39.098 > 57 59 K 0.00623280018191 0.87200902160755 0.03677525435557 39.098 > 59 60 K 0.50623280018191 0.87200902160755 0.03677525435557 39.098 > 59 61 K 0.25539067593984 0.38260379280065 0.56594060843696 39.098 > 61 62 K 0.75539067593984 0.38260379280065 0.56594060843696 39.098 > 61 63 K 0.10699100814471 0.88734247574235 0.52733077728230 39.098 > 63 64 K 0.60699100814471 0.88734247574235 0.52733077728230 39.098 > 63 65 Ga 0.49540444651469 0.44056525247088 0.75875677597844 69.723 > 65 66 Ga 0.99540444651469 0.44056525247088 0.75875677597844 69.723 > 65 67 Ga 0.00459555348531 0.94056525247088 0.74124322402156 69.723 > 67 68 Ga 0.50459555348531 0.94056525247088 0.74124322402156 69.723 > 67 69 Ga 0.00459555348531 0.55943474752912 0.24124322402156 69.723 > 69 70 Ga 0.50459555348531 0.55943474752912 0.24124322402156 69.723 > 69 71 Ga 0.07254342520214 0.21550757813833 0.75323227266368 69.723 > 71 72 Ga 0.57254342520214 0.21550757813833 0.75323227266368 69.723 > 71 73 Ga 0.42745657479786 0.71550757813833 0.74676772733632 69.723 > 73 74 Ga 0.92745657479786 0.71550757813833 0.74676772733632 69.723 > 73 75 Ga 0.42745657479786 0.78449242186167 0.24676772733632 69.723 > 75 76 Ga 0.92745657479786 0.78449242186167 0.24676772733632 69.723 > 75 77 Ga 0.07254342520214 0.28449242186167 0.25323227266368 69.723 > 77 78 Ga 0.57254342520214 0.28449242186167 0.25323227266368 69.723 > 77 79 Ga 0.49540444651469 0.05943474752912 0.25875677597844 69.723 > 79 80 Ga 0.99540444651469 0.05943474752912 0.25875677597844 69.723 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6688610 0.0000000 0.0766727 0.0000000 7.7225249 0.0000000 0.0766668 0.0000000 4.1125620 -------------------------- Born effective charges -------------------------- 1 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 2 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 3 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 4 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 5 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 6 P -1.8973968 0.0855900 -0.0510084 0.5581981 -2.3949886 0.0164960 -0.0903725 -0.0655634 -1.1109972 7 P -1.8973968 -0.0855900 -0.0510084 -0.5581981 -2.3949886 -0.0164960 -0.0903725 0.0655634 -1.1109972 8 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 9 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 10 P -1.7396737 0.2822872 0.0324496 0.5018037 -3.7956401 0.0754835 0.0053710 0.0633198 -1.1598562 11 P -1.8633980 0.1123177 -0.0370915 -0.3994092 -1.5390968 -0.1519055 -0.0725261 -0.0133507 -1.1037912 12 P -1.7396737 -0.2822872 0.0324496 -0.5018037 -3.7956401 -0.0754835 0.0053710 -0.0633198 -1.1598562 13 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 14 P -1.6873036 -0.7023580 -0.0471221 0.1815001 -1.3525892 -0.0042150 -0.0440076 -0.0257215 -1.0444040 15 P -1.6873036 0.7023580 -0.0471221 -0.1815001 -1.3525892 0.0042150 -0.0440076 0.0257215 -1.0444040 16 P -1.8633980 -0.1123177 -0.0370915 0.3994092 -1.5390968 0.1519055 -0.0725261 0.0133507 -1.1037912 17 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 18 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 19 K 1.4599029 -0.1754439 0.2745828 -0.2302425 0.8024152 -0.1236385 0.1625747 -0.0865669 1.1832480 20 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 21 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 22 K 1.2346412 0.0705656 0.0379574 0.0205160 0.9890679 -0.0637181 0.0359757 -0.0516846 1.2613056 23 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 24 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 25 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 26 K 1.3190727 -0.2786905 0.0579923 -0.0927832 0.9350478 -0.0779377 -0.0260234 0.0009500 1.1842994 27 K 1.3190727 0.2786905 0.0579923 0.0927832 0.9350478 0.0779377 -0.0260234 -0.0009500 1.1842994 28 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 29 K 0.6304658 -0.0300177 -0.3824354 -0.1676597 0.8902274 -0.0546209 -0.1933988 -0.0723979 1.2881057 30 K 0.6304658 0.0300177 -0.3824354 0.1676597 0.8902274 0.0546209 -0.1933988 0.0723979 1.2881057 31 K 1.4599029 0.1754439 0.2745828 0.2302425 0.8024152 0.1236385 0.1625747 0.0865669 1.1832480 32 K 1.2346412 -0.0705656 0.0379574 -0.0205160 0.9890679 0.0637181 0.0359757 0.0516846 1.2613056 33 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 34 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 35 Ga 1.5326826 -0.2973165 0.0735617 -1.6613469 2.4065197 -0.0647135 0.1056728 0.0827915 -0.2229269 36 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 37 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 38 Ga 1.0110069 0.0678885 0.0411136 -0.6061511 3.0590365 -0.0405418 0.1167343 0.1187154 -0.2749831 39 Ga 1.0110069 -0.0678885 0.0411136 0.6061511 3.0590365 0.0405418 0.1167343 -0.1187154 -0.2749831 40 Ga 1.5326826 0.2973165 0.0735617 1.6613469 2.4065197 0.0647135 0.1056728 -0.0827915 -0.2229269 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 5 ] 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: 0.40, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.092 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 10.773 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.772 ( 0.000 0.000 0.000) 0.000 12.775 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 14.074 0.000 -2.316) 14.264 0.406 ( 13.933 0.000 18.592) 23.234 0.645 ( 28.820 0.000 15.302) 32.631 1.134 ( -0.465 0.000 8.530) 8.543 1.192 ( 7.089 0.000 2.705) 7.588 1.277 ( 7.854 0.000 -0.939) 7.910 1.346 ( 6.223 0.000 1.358) 6.370 1.465 ( 3.396 0.000 -0.737) 3.475 1.681 ( 1.257 0.000 1.228) 1.757 1.705 ( -1.814 0.000 -2.197) 2.849 1.759 ( 3.183 0.000 -0.756) 3.272 1.835 ( 4.996 0.000 1.494) 5.215 1.873 ( 2.797 0.000 -0.298) 2.813 1.905 ( 4.476 0.000 0.445) 4.498 1.937 ( 3.911 0.000 -0.012) 3.911 2.058 ( 1.073 0.000 -0.067) 1.075 2.059 ( -1.150 0.000 3.342) 3.534 2.130 ( 0.086 0.000 -2.062) 2.064 2.140 ( -2.564 0.000 1.014) 2.758 2.227 ( 0.554 0.000 -1.007) 1.149 2.250 ( -3.672 0.000 0.501) 3.706 2.309 ( 1.699 0.000 -3.249) 3.667 2.349 ( -0.147 0.000 0.292) 0.327 2.350 ( -0.125 0.000 2.772) 2.774 2.415 ( -3.268 0.000 0.721) 3.347 2.422 ( 5.007 0.000 -1.372) 5.192 2.445 ( 0.795 0.000 -0.855) 1.168 2.519 ( 2.025 0.000 -1.049) 2.280 2.623 ( -4.398 0.000 -0.254) 4.406 2.668 ( -4.377 0.000 -2.418) 5.000 2.673 ( -0.909 0.000 1.317) 1.600 2.740 ( 1.721 0.000 -1.633) 2.372 2.749 ( -2.347 0.000 -2.681) 3.563 2.798 ( -2.556 0.000 -0.430) 2.592 2.828 ( -4.288 0.000 -0.509) 4.318 2.829 ( -3.389 0.000 -1.078) 3.556 2.933 ( -5.826 0.000 -2.051) 6.177 2.985 ( 4.512 0.000 -2.633) 5.224 2.987 ( -2.656 0.000 0.572) 2.717 3.014 ( 2.497 0.000 -5.140) 5.714 3.061 ( -1.789 0.000 0.846) 1.979 3.107 ( 0.511 0.000 -0.966) 1.093 3.161 ( -0.132 0.000 3.873) 3.875 3.212 ( 2.749 0.000 2.899) 3.995 3.223 ( 3.916 0.000 -1.673) 4.258 3.272 ( 1.181 0.000 0.012) 1.181 3.303 ( -1.463 0.000 -2.066) 2.532 3.312 ( 2.448 0.000 1.230) 2.740 3.400 ( 0.135 0.000 -2.670) 2.673 3.400 ( 0.380 0.000 -1.308) 1.362 3.451 ( 2.954 0.000 -3.540) 4.611 3.477 ( -1.011 0.000 2.155) 2.381 3.498 ( 1.939 0.000 -2.504) 3.167 3.552 ( -3.365 0.000 1.011) 3.514 3.569 ( 0.208 0.000 0.874) 0.898 3.620 ( -1.416 0.000 1.127) 1.810 3.687 ( -3.501 0.000 0.742) 3.579 3.739 ( 1.138 0.000 2.765) 2.990 3.757 ( -3.256 0.000 3.049) 4.461 3.807 ( -3.703 0.000 1.162) 3.881 3.865 ( 1.936 0.000 -4.998) 5.360 3.898 ( 1.911 0.000 0.022) 1.911 3.913 ( -0.461 0.000 -2.029) 2.081 3.976 ( 4.183 0.000 0.404) 4.202 4.052 ( -1.385 0.000 -3.524) 3.786 4.122 ( 2.470 0.000 -2.201) 3.309 4.217 ( 4.882 0.000 1.831) 5.214 4.238 ( -4.256 0.000 4.201) 5.980 4.294 ( -1.808 0.000 -1.492) 2.344 4.356 ( -0.490 0.000 -0.625) 0.794 4.465 ( -1.653 0.000 0.677) 1.786 4.564 ( 1.150 0.000 0.750) 1.373 4.596 ( 2.007 0.000 -0.846) 2.178 4.683 ( -1.746 0.000 1.012) 2.018 4.694 ( -0.903 0.000 -3.152) 3.279 4.732 ( -1.145 0.000 -0.814) 1.405 4.792 ( 2.185 0.000 -0.001) 2.185 4.807 ( -0.254 0.000 -7.000) 7.004 4.847 ( 0.975 0.000 0.201) 0.995 4.875 ( 0.537 0.000 -1.248) 1.359 4.970 ( 0.164 0.000 2.665) 2.670 5.005 ( -0.201 0.000 1.456) 1.470 5.068 ( -1.279 0.000 1.873) 2.268 5.135 ( -8.739 0.000 10.282) 13.494 5.171 ( -2.092 0.000 2.073) 2.945 5.262 ( -0.165 0.000 0.996) 1.010 5.266 ( -2.296 0.000 8.164) 8.481 5.445 ( -0.455 0.000 1.812) 1.868 5.698 ( -0.634 0.000 0.210) 0.668 5.701 ( -0.158 0.000 -0.359) 0.392 5.884 ( 1.669 0.000 0.557) 1.760 5.911 ( 0.773 0.000 -0.155) 0.789 8.430 ( 1.002 0.000 -0.324) 1.053 8.442 ( 0.270 0.000 -0.121) 0.296 8.535 ( 0.184 0.000 -0.074) 0.198 8.553 ( -0.649 0.000 -0.105) 0.657 9.376 ( 0.186 0.000 0.110) 0.216 9.389 ( -0.230 0.000 -0.444) 0.500 9.872 ( 0.075 0.000 0.227) 0.239 9.895 ( -0.328 0.000 -0.208) 0.388 10.187 ( -0.715 0.000 -0.068) 0.718 10.191 ( 0.944 0.000 -0.136) 0.953 10.238 ( -0.424 0.000 0.628) 0.757 10.276 ( -0.979 0.000 -0.011) 0.979 10.308 ( 1.007 0.000 -0.013) 1.007 10.338 ( 1.339 0.000 -0.220) 1.357 10.581 ( -0.299 0.000 0.171) 0.344 10.614 ( -1.539 0.000 -0.408) 1.592 10.677 ( 1.983 0.000 0.255) 1.999 10.687 ( 1.942 0.000 -0.279) 1.962 10.838 ( 1.166 0.000 -1.646) 2.017 11.170 ( 0.310 0.000 0.088) 0.323 11.194 ( 0.196 0.000 -0.147) 0.245 11.211 ( 5.210 0.000 -10.587) 11.799 11.530 ( -1.077 0.000 0.128) 1.085 11.621 ( -2.391 0.000 -1.125) 2.643 12.731 ( -0.281 0.000 -0.058) 0.287 12.734 ( -0.237 0.000 0.028) 0.239 12.772 ( -0.114 0.000 0.057) 0.127 12.773 ( -0.174 0.000 -0.042) 0.179 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 10.061 0.000 -0.607) 10.080 0.789 ( 13.081 0.000 15.621) 20.374 1.200 ( 22.504 0.000 11.190) 25.132 1.249 ( 4.325 0.000 8.743) 9.754 1.377 ( 8.760 0.000 5.213) 10.194 1.411 ( 7.039 0.000 0.581) 7.063 1.490 ( 7.540 0.000 5.645) 9.419 1.497 ( 2.209 0.000 -2.718) 3.503 1.694 ( 2.989 0.000 -2.156) 3.686 1.766 ( 5.829 0.000 3.788) 6.951 1.797 ( 2.949 0.000 -3.241) 4.382 1.894 ( 1.545 0.000 0.683) 1.689 1.914 ( 2.540 0.000 -1.488) 2.943 1.985 ( 3.049 0.000 0.406) 3.076 1.997 ( -0.887 0.000 1.790) 1.997 2.021 ( 1.506 0.000 -1.581) 2.183 2.063 ( -1.867 0.000 3.931) 4.352 2.090 ( -5.323 0.000 0.044) 5.323 2.167 ( 0.511 0.000 1.256) 1.356 2.185 ( -4.721 0.000 -1.650) 5.001 2.208 ( 0.476 0.000 -2.768) 2.809 2.269 ( -3.197 0.000 -5.142) 6.055 2.296 ( -6.206 0.000 -0.803) 6.257 2.356 ( 2.816 0.000 -0.521) 2.864 2.399 ( -0.488 0.000 0.128) 0.505 2.455 ( -7.271 0.000 -4.189) 8.391 2.485 ( 3.610 0.000 -2.086) 4.169 2.493 ( 2.669 0.000 1.458) 3.041 2.555 ( -4.840 0.000 -2.539) 5.465 2.564 ( 2.527 0.000 3.526) 4.338 2.718 ( 0.166 0.000 -3.719) 3.722 2.720 ( -0.184 0.000 -0.128) 0.224 2.735 ( 4.175 0.000 4.218) 5.934 2.772 ( -6.432 0.000 -3.888) 7.516 2.792 ( 2.521 0.000 -0.967) 2.700 2.814 ( 2.353 0.000 1.963) 3.064 2.879 ( 1.426 0.000 4.660) 4.873 2.931 ( -0.886 0.000 -2.818) 2.954 2.986 ( -4.243 0.000 -2.116) 4.742 3.016 ( 0.566 0.000 -2.044) 2.121 3.022 ( 2.453 0.000 -4.161) 4.830 3.128 ( 0.275 0.000 1.138) 1.171 3.142 ( -4.806 0.000 1.136) 4.938 3.195 ( 0.532 0.000 -3.204) 3.248 3.252 ( -2.848 0.000 0.371) 2.872 3.274 ( -0.163 0.000 -0.279) 0.323 3.330 ( 5.004 0.000 1.080) 5.119 3.371 ( 1.775 0.000 -0.794) 1.945 3.388 ( 0.701 0.000 -2.021) 2.139 3.393 ( 0.601 0.000 -3.083) 3.141 3.449 ( 0.231 0.000 -0.433) 0.491 3.478 ( -1.024 0.000 1.336) 1.684 3.502 ( -0.892 0.000 1.616) 1.846 3.534 ( -1.097 0.000 3.059) 3.250 3.576 ( 0.136 0.000 0.435) 0.456 3.632 ( 0.619 0.000 2.554) 2.628 3.642 ( -0.892 0.000 -1.454) 1.705 3.715 ( -4.512 0.000 0.830) 4.588 3.744 ( -3.144 0.000 -2.550) 4.048 3.786 ( -3.292 0.000 -1.548) 3.637 3.799 ( 1.553 0.000 4.209) 4.486 3.895 ( -2.456 0.000 -4.049) 4.735 3.949 ( 2.538 0.000 1.391) 2.894 4.034 ( 1.572 0.000 2.622) 3.057 4.036 ( 4.481 0.000 -3.486) 5.678 4.127 ( -0.332 0.000 -1.274) 1.317 4.179 ( -3.684 0.000 -0.373) 3.703 4.247 ( -1.586 0.000 -1.882) 2.461 4.312 ( 2.589 0.000 1.514) 3.000 4.314 ( -2.777 0.000 -3.155) 4.203 4.469 ( 1.766 0.000 1.548) 2.348 4.584 ( 0.407 0.000 0.495) 0.641 4.615 ( 0.356 0.000 -0.651) 0.742 4.663 ( -1.003 0.000 0.922) 1.363 4.679 ( 2.435 0.000 -1.117) 2.679 4.726 ( -0.024 0.000 0.392) 0.393 4.731 ( -4.088 0.000 -0.708) 4.149 4.816 ( 1.223 0.000 -1.140) 1.672 4.868 ( -0.327 0.000 -0.364) 0.489 4.880 ( 2.037 0.000 1.500) 2.530 4.995 ( -0.062 0.000 2.516) 2.516 5.018 ( 0.748 0.000 0.197) 0.773 5.046 ( -2.581 0.000 0.381) 2.609 5.101 ( -2.468 0.000 2.698) 3.657 5.148 ( -1.973 0.000 0.389) 2.011 5.271 ( -0.161 0.000 1.504) 1.512 5.284 ( -1.230 0.000 2.732) 2.996 5.448 ( -1.319 0.000 1.921) 2.330 5.689 ( -0.561 0.000 0.173) 0.587 5.692 ( -0.479 0.000 -0.565) 0.741 5.919 ( 1.579 0.000 0.612) 1.693 5.927 ( 1.128 0.000 -0.109) 1.133 8.446 ( 0.859 0.000 -0.347) 0.926 8.446 ( 0.863 0.000 -0.348) 0.931 8.537 ( -1.103 0.000 -0.183) 1.118 8.537 ( 0.027 0.000 0.235) 0.237 9.380 ( -0.358 0.000 -0.264) 0.445 9.381 ( 0.268 0.000 0.176) 0.320 9.877 ( 0.141 0.000 0.294) 0.326 9.886 ( -0.416 0.000 -0.261) 0.492 10.181 ( 0.030 0.000 0.306) 0.308 10.207 ( 0.915 0.000 -0.070) 0.917 10.236 ( -0.597 0.000 0.739) 0.950 10.257 ( -1.313 0.000 -0.136) 1.320 10.330 ( 1.559 0.000 -0.077) 1.561 10.350 ( 0.544 0.000 -0.830) 0.993 10.574 ( -0.706 0.000 0.123) 0.716 10.587 ( -1.152 0.000 -0.289) 1.188 10.714 ( 1.686 0.000 -0.463) 1.748 10.723 ( 2.745 0.000 0.443) 2.780 10.849 ( 1.888 0.000 -1.770) 2.588 11.178 ( 0.419 0.000 0.140) 0.442 11.196 ( 0.765 0.000 -2.130) 2.263 11.201 ( 0.954 0.000 -1.857) 2.087 11.510 ( -1.247 0.000 0.211) 1.265 11.560 ( -3.220 0.000 -1.019) 3.378 12.724 ( -0.345 0.000 -0.087) 0.356 12.730 ( -0.254 0.000 0.049) 0.258 12.769 ( -0.249 0.000 -0.065) 0.257 12.770 ( -0.151 0.000 0.064) 0.164 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 3.675 0.000 0.049) 3.675 1.090 ( 7.903 0.000 8.577) 11.663 1.377 ( 2.332 0.000 3.468) 4.179 1.431 ( -1.334 0.000 -2.950) 3.238 1.543 ( 5.243 0.000 5.673) 7.724 1.545 ( 3.372 0.000 -0.177) 3.377 1.566 ( 11.977 0.000 4.693) 12.863 1.685 ( 7.711 0.000 5.365) 9.394 1.758 ( 2.704 0.000 1.150) 2.939 1.810 ( 2.721 0.000 -4.437) 5.204 1.837 ( -4.286 0.000 1.893) 4.686 1.876 ( -4.831 0.000 -0.821) 4.900 1.906 ( 1.379 0.000 -4.289) 4.505 1.941 ( -1.027 0.000 -1.535) 1.847 1.991 ( -0.068 0.000 0.934) 0.937 2.041 ( -3.582 0.000 3.286) 4.860 2.063 ( -5.714 0.000 -4.933) 7.548 2.078 ( 4.875 0.000 1.040) 4.984 2.107 ( -0.195 0.000 1.729) 1.740 2.152 ( 1.904 0.000 0.043) 1.904 2.163 ( 0.786 0.000 0.783) 1.109 2.184 ( -4.540 0.000 -1.296) 4.721 2.231 ( -2.453 0.000 -1.462) 2.856 2.338 ( -3.704 0.000 -2.599) 4.525 2.343 ( 0.226 0.000 -2.477) 2.487 2.452 ( 4.772 0.000 1.081) 4.893 2.474 ( -3.234 0.000 -0.376) 3.255 2.497 ( 0.969 0.000 1.042) 1.423 2.534 ( 0.907 0.000 -1.098) 1.425 2.612 ( -6.659 0.000 -4.426) 7.996 2.655 ( 1.853 0.000 2.370) 3.009 2.701 ( -0.907 0.000 -0.935) 1.303 2.731 ( 3.896 0.000 -0.179) 3.900 2.825 ( 1.902 0.000 2.605) 3.226 2.860 ( -3.959 0.000 -3.401) 5.219 2.862 ( 4.237 0.000 1.012) 4.356 2.929 ( 2.214 0.000 0.751) 2.338 2.939 ( 0.821 0.000 1.892) 2.063 2.956 ( 6.321 0.000 2.095) 6.659 2.978 ( -3.306 0.000 -0.585) 3.357 3.048 ( 3.476 0.000 -1.887) 3.955 3.089 ( -0.542 0.000 0.758) 0.932 3.110 ( -3.728 0.000 -1.208) 3.918 3.179 ( -0.462 0.000 -2.404) 2.449 3.193 ( -3.875 0.000 1.197) 4.056 3.262 ( -0.154 0.000 0.006) 0.154 3.362 ( -0.286 0.000 1.268) 1.300 3.386 ( 0.230 0.000 -1.643) 1.659 3.389 ( 1.494 0.000 -1.510) 2.124 3.402 ( 0.536 0.000 1.092) 1.216 3.440 ( 0.406 0.000 -2.902) 2.930 3.461 ( -0.505 0.000 1.675) 1.749 3.511 ( -0.596 0.000 0.836) 1.026 3.555 ( -0.460 0.000 2.734) 2.772 3.591 ( 1.397 0.000 1.457) 2.019 3.603 ( -4.351 0.000 -0.815) 4.426 3.629 ( 0.862 0.000 -2.268) 2.427 3.665 ( -3.178 0.000 -2.086) 3.802 3.676 ( -0.566 0.000 1.091) 1.229 3.743 ( -0.676 0.000 -2.329) 2.425 3.854 ( 1.289 0.000 1.851) 2.255 3.857 ( 0.554 0.000 1.904) 1.983 3.967 ( -1.179 0.000 0.622) 1.333 4.063 ( -2.130 0.000 -3.194) 3.840 4.087 ( 3.676 0.000 -3.874) 5.341 4.107 ( 3.906 0.000 3.612) 5.320 4.142 ( -2.492 0.000 2.832) 3.772 4.216 ( -3.213 0.000 -1.992) 3.780 4.221 ( -1.297 0.000 -2.820) 3.104 4.337 ( 0.365 0.000 0.197) 0.415 4.532 ( 2.857 0.000 1.148) 3.079 4.593 ( -1.862 0.000 0.074) 1.863 4.599 ( 0.614 0.000 0.407) 0.736 4.671 ( 1.573 0.000 -1.991) 2.537 4.677 ( -2.900 0.000 2.352) 3.734 4.702 ( 0.354 0.000 -0.376) 0.517 4.745 ( 1.248 0.000 0.727) 1.445 4.821 ( 0.537 0.000 -0.793) 0.958 4.861 ( -0.122 0.000 -0.168) 0.208 4.931 ( 2.147 0.000 1.843) 2.829 4.995 ( -2.743 0.000 -1.047) 2.936 5.011 ( -0.063 0.000 0.882) 0.884 5.029 ( 0.450 0.000 -0.182) 0.485 5.098 ( -0.154 0.000 1.219) 1.229 5.117 ( -1.486 0.000 -0.456) 1.554 5.281 ( -0.029 0.000 0.741) 0.742 5.284 ( -0.453 0.000 0.602) 0.753 5.439 ( -0.866 0.000 0.698) 1.113 5.680 ( -0.308 0.000 -0.298) 0.429 5.684 ( -0.198 0.000 0.046) 0.204 5.941 ( 0.528 0.000 -0.027) 0.528 5.941 ( 0.570 0.000 0.229) 0.615 8.453 ( 0.412 0.000 -0.137) 0.435 8.458 ( 0.534 0.000 -0.229) 0.581 8.518 ( -0.712 0.000 -0.100) 0.719 8.539 ( -0.019 0.000 0.142) 0.143 9.374 ( -0.143 0.000 -0.097) 0.173 9.386 ( 0.126 0.000 0.091) 0.156 9.879 ( -0.188 0.000 -0.117) 0.221 9.881 ( 0.076 0.000 0.131) 0.151 10.196 ( 1.221 0.000 0.704) 1.410 10.218 ( 0.322 0.000 0.014) 0.322 10.229 ( -1.704 0.000 -0.559) 1.793 10.233 ( -0.280 0.000 0.286) 0.401 10.346 ( 0.061 0.000 -0.546) 0.549 10.352 ( 0.850 0.000 -0.059) 0.852 10.564 ( -0.447 0.000 0.043) 0.450 10.572 ( -0.413 0.000 -0.062) 0.418 10.731 ( 0.674 0.000 -0.223) 0.710 10.763 ( 1.295 0.000 0.224) 1.314 10.863 ( 0.969 0.000 -0.680) 1.184 11.184 ( 0.199 0.000 0.075) 0.213 11.186 ( 0.165 0.000 -1.038) 1.052 11.206 ( 0.287 0.000 -0.043) 0.290 11.497 ( -0.523 0.000 0.109) 0.534 11.511 ( -1.495 0.000 -0.436) 1.558 12.719 ( -0.155 0.000 -0.039) 0.160 12.727 ( -0.098 0.000 0.027) 0.102 12.765 ( -0.122 0.000 -0.034) 0.127 12.768 ( -0.069 0.000 0.026) 0.074 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 14.684 0.000) 14.684 0.369 ( 0.000 20.509 0.000) 20.509 0.845 ( 0.000 8.219 0.000) 8.219 0.932 ( 0.000 15.031 0.000) 15.031 1.077 ( 0.000 -8.038 0.000) 8.038 1.161 ( 0.000 2.702 0.000) 2.702 1.298 ( 0.000 -2.012 0.000) 2.012 1.589 ( 0.000 13.682 0.000) 13.682 1.691 ( 0.000 -2.376 0.000) 2.376 1.710 ( 0.000 2.274 0.000) 2.274 1.757 ( 0.000 0.092 0.000) 0.092 1.771 ( 0.000 2.622 0.000) 2.622 1.777 ( 0.000 0.425 0.000) 0.425 1.875 ( 0.000 -0.042 0.000) 0.042 1.913 ( 0.000 2.061 0.000) 2.061 1.991 ( 0.000 1.336 0.000) 1.336 2.071 ( 0.000 1.390 0.000) 1.390 2.095 ( 0.000 -5.548 0.000) 5.548 2.206 ( 0.000 -3.044 0.000) 3.044 2.245 ( 0.000 6.208 0.000) 6.208 2.271 ( 0.000 -1.340 0.000) 1.340 2.295 ( 0.000 -0.847 0.000) 0.847 2.316 ( 0.000 0.340 0.000) 0.340 2.371 ( 0.000 3.481 0.000) 3.481 2.401 ( 0.000 1.142 0.000) 1.142 2.430 ( 0.000 1.400 0.000) 1.400 2.479 ( 0.000 -1.519 0.000) 1.519 2.505 ( 0.000 1.362 0.000) 1.362 2.523 ( 0.000 -8.269 0.000) 8.269 2.625 ( 0.000 -25.197 0.000) 25.197 2.649 ( 0.000 -1.097 0.000) 1.097 2.772 ( 0.000 -0.205 0.000) 0.205 2.807 ( 0.000 -2.247 0.000) 2.247 2.836 ( 0.000 7.355 0.000) 7.355 2.854 ( 0.000 -8.713 0.000) 8.713 2.920 ( 0.000 1.354 0.000) 1.354 2.925 ( 0.000 3.601 0.000) 3.601 2.963 ( 0.000 0.248 0.000) 0.248 3.011 ( 0.000 0.643 0.000) 0.643 3.012 ( 0.000 -5.800 0.000) 5.800 3.028 ( 0.000 -2.279 0.000) 2.279 3.096 ( 0.000 -1.734 0.000) 1.734 3.111 ( 0.000 -2.431 0.000) 2.431 3.113 ( 0.000 2.822 0.000) 2.822 3.183 ( 0.000 -0.769 0.000) 0.769 3.188 ( 0.000 -2.707 0.000) 2.707 3.281 ( 0.000 -2.161 0.000) 2.161 3.294 ( 0.000 0.763 0.000) 0.763 3.394 ( 0.000 1.369 0.000) 1.369 3.406 ( 0.000 -0.901 0.000) 0.901 3.413 ( 0.000 -2.205 0.000) 2.205 3.481 ( 0.000 -0.808 0.000) 0.808 3.492 ( 0.000 -0.028 0.000) 0.028 3.548 ( 0.000 -1.444 0.000) 1.444 3.562 ( 0.000 2.081 0.000) 2.081 3.633 ( 0.000 -0.737 0.000) 0.737 3.683 ( 0.000 -0.020 0.000) 0.020 3.685 ( 0.000 -1.931 0.000) 1.931 3.771 ( 0.000 6.978 0.000) 6.978 3.835 ( 0.000 -0.649 0.000) 0.649 3.838 ( 0.000 0.704 0.000) 0.704 3.894 ( 0.000 -1.781 0.000) 1.781 3.915 ( 0.000 2.193 0.000) 2.193 4.051 ( 0.000 -1.986 0.000) 1.986 4.063 ( 0.000 5.163 0.000) 5.163 4.126 ( 0.000 1.094 0.000) 1.094 4.204 ( 0.000 5.380 0.000) 5.380 4.307 ( 0.000 4.124 0.000) 4.124 4.309 ( 0.000 -1.087 0.000) 1.087 4.393 ( 0.000 12.085 0.000) 12.085 4.421 ( 0.000 -5.326 0.000) 5.326 4.588 ( 0.000 2.956 0.000) 2.956 4.604 ( 0.000 2.350 0.000) 2.350 4.656 ( 0.000 -2.886 0.000) 2.886 4.701 ( 0.000 -0.977 0.000) 0.977 4.720 ( 0.000 2.733 0.000) 2.733 4.771 ( 0.000 0.086 0.000) 0.086 4.798 ( 0.000 1.223 0.000) 1.223 4.825 ( 0.000 -0.840 0.000) 0.840 4.873 ( 0.000 0.356 0.000) 0.356 4.961 ( 0.000 0.702 0.000) 0.702 4.970 ( 0.000 -0.368 0.000) 0.368 4.991 ( 0.000 -7.418 0.000) 7.418 5.110 ( 0.000 0.876 0.000) 0.876 5.126 ( 0.000 -4.665 0.000) 4.665 5.185 ( 0.000 -3.244 0.000) 3.244 5.321 ( 0.000 3.740 0.000) 3.740 5.423 ( 0.000 -1.657 0.000) 1.657 5.730 ( 0.000 2.536 0.000) 2.536 5.837 ( 0.000 -2.703 0.000) 2.703 5.895 ( 0.000 -0.266 0.000) 0.266 5.902 ( 0.000 -0.455 0.000) 0.455 8.441 ( 0.000 1.845 0.000) 1.845 8.476 ( 0.000 1.407 0.000) 1.407 8.514 ( 0.000 -1.411 0.000) 1.411 8.544 ( 0.000 -1.570 0.000) 1.570 9.435 ( 0.000 6.530 0.000) 6.530 9.447 ( 0.000 7.064 0.000) 7.064 9.781 ( 0.000 -9.742 0.000) 9.742 9.812 ( 0.000 -9.420 0.000) 9.420 10.144 ( 0.000 -0.346 0.000) 0.346 10.211 ( 0.000 -1.720 0.000) 1.720 10.249 ( 0.000 2.473 0.000) 2.473 10.314 ( 0.000 -0.960 0.000) 0.960 10.401 ( 0.000 6.749 0.000) 6.749 10.453 ( 0.000 4.400 0.000) 4.400 10.561 ( 0.000 -2.044 0.000) 2.044 10.597 ( 0.000 -3.522 0.000) 3.522 10.681 ( 0.000 2.355 0.000) 2.355 10.705 ( 0.000 2.545 0.000) 2.545 10.771 ( 0.000 -0.788 0.000) 0.788 10.816 ( 0.000 -2.253 0.000) 2.253 11.245 ( 0.000 5.302 0.000) 5.302 11.480 ( 0.000 -5.471 0.000) 5.471 11.679 ( 0.000 3.447 0.000) 3.447 11.810 ( 0.000 -2.722 0.000) 2.722 12.739 ( 0.000 0.636 0.000) 0.636 12.742 ( 0.000 0.631 0.000) 0.631 12.768 ( 0.000 -0.525 0.000) 0.525 12.769 ( 0.000 -0.634 0.000) 0.634 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 16.141 7.603 10.970) 20.945 0.541 ( 9.868 13.294 13.771) 21.535 0.911 ( 6.069 21.319 2.075) 22.263 1.018 ( 7.589 -5.094 7.410) 11.767 1.100 ( 4.121 -11.082 3.444) 12.315 1.270 ( 6.965 4.883 1.324) 8.609 1.342 ( 5.877 0.420 2.033) 6.233 1.590 ( 2.108 9.868 -2.780) 10.467 1.692 ( -0.046 -0.843 -2.206) 2.362 1.717 ( -0.222 3.613 -0.858) 3.720 1.758 ( 2.164 0.176 2.274) 3.144 1.829 ( 2.129 -0.825 1.108) 2.538 1.854 ( 7.539 -0.749 0.989) 7.641 1.900 ( 3.621 1.764 2.472) 4.726 1.954 ( 2.065 0.526 -0.260) 2.147 2.010 ( -1.808 -3.397 1.819) 4.257 2.077 ( 1.486 1.475 0.895) 2.277 2.102 ( -0.116 -2.026 0.310) 2.052 2.205 ( -3.459 -3.659 -0.284) 5.043 2.225 ( 1.787 4.102 2.165) 4.970 2.249 ( 0.303 2.489 -1.364) 2.855 2.290 ( 0.317 -1.627 -2.865) 3.310 2.310 ( 1.103 -0.329 -0.953) 1.495 2.362 ( -3.881 -1.633 -1.750) 4.559 2.398 ( -0.228 -0.815 0.399) 0.936 2.444 ( 2.228 1.451 -0.230) 2.669 2.473 ( 1.033 0.374 -0.376) 1.161 2.513 ( 0.032 1.557 0.820) 1.760 2.527 ( 0.464 -4.561 0.283) 4.593 2.612 ( 0.257 -5.927 0.168) 5.935 2.693 ( 0.063 -10.541 3.439) 11.088 2.773 ( -2.224 0.557 -1.591) 2.791 2.788 ( -3.536 -0.292 -0.383) 3.569 2.793 ( -2.649 -2.715 -2.119) 4.345 2.799 ( -3.280 1.768 -1.694) 4.094 2.844 ( -1.767 2.475 -1.441) 3.365 2.866 ( -4.223 -0.120 0.522) 4.257 2.974 ( -0.897 -0.572 -1.543) 1.874 2.993 ( 2.823 -0.211 -1.960) 3.444 3.007 ( 1.072 -3.536 -2.512) 4.467 3.050 ( 0.393 -0.375 0.632) 0.834 3.095 ( -1.083 -1.321 -1.144) 2.056 3.120 ( 0.528 -4.610 1.976) 5.043 3.136 ( 2.222 -1.875 0.105) 2.909 3.177 ( 0.921 -0.311 -0.651) 1.170 3.255 ( 0.762 -1.477 -1.053) 1.967 3.296 ( 2.359 -0.102 0.581) 2.432 3.312 ( 4.197 -0.121 -3.505) 5.469 3.387 ( -0.793 -0.569 -1.469) 1.763 3.404 ( 1.096 -0.307 -1.011) 1.523 3.444 ( 0.587 -0.545 -0.533) 0.962 3.454 ( 2.085 -1.614 -0.399) 2.667 3.499 ( -1.978 -0.316 1.032) 2.253 3.547 ( -0.911 -1.686 0.765) 2.064 3.557 ( 0.456 -0.746 -1.655) 1.871 3.590 ( -1.762 -2.772 -0.226) 3.292 3.670 ( -1.231 0.630 0.802) 1.598 3.724 ( -0.655 4.234 2.396) 4.908 3.784 ( 0.326 -1.546 -0.681) 1.720 3.813 ( -3.075 2.657 3.440) 5.324 3.852 ( -0.934 -0.396 0.097) 1.019 3.878 ( 0.350 -2.466 0.381) 2.520 3.923 ( -0.572 1.671 0.031) 1.767 4.016 ( 0.274 1.721 -0.579) 1.836 4.109 ( 1.388 1.293 1.428) 2.374 4.115 ( -0.170 0.953 -2.877) 3.036 4.220 ( -2.199 0.508 2.891) 3.668 4.289 ( -1.847 -0.540 0.158) 1.931 4.319 ( 2.025 1.596 -1.020) 2.773 4.390 ( 0.798 4.320 -0.616) 4.436 4.451 ( 2.863 5.025 -1.139) 5.895 4.589 ( -0.207 2.792 1.145) 3.025 4.624 ( 2.554 2.239 -0.818) 3.494 4.655 ( 0.159 -2.184 -0.041) 2.190 4.698 ( -0.516 0.785 -1.244) 1.559 4.710 ( -0.820 -1.681 -1.697) 2.525 4.742 ( -0.469 -1.259 -1.959) 2.376 4.817 ( 1.271 1.641 1.070) 2.336 4.853 ( 0.454 -0.270 1.524) 1.613 4.875 ( 0.640 1.361 -0.279) 1.529 4.963 ( -0.838 -1.550 2.254) 2.861 4.979 ( 0.830 -2.507 0.394) 2.670 5.006 ( 0.320 -3.942 1.380) 4.189 5.103 ( -1.639 -2.431 1.306) 3.210 5.137 ( -0.941 -1.857 2.985) 3.639 5.204 ( 1.051 -3.664 2.002) 4.305 5.314 ( -0.750 3.780 0.263) 3.863 5.424 ( -0.443 -2.081 0.948) 2.329 5.731 ( -0.302 3.095 0.360) 3.130 5.809 ( -3.931 2.408 0.870) 4.692 5.874 ( 0.809 -0.796 -1.458) 1.848 5.903 ( -0.016 -0.965 0.275) 1.003 8.438 ( 0.020 1.662 -0.261) 1.683 8.468 ( -0.120 1.741 -0.197) 1.757 8.518 ( 0.006 -1.579 0.253) 1.599 8.539 ( -0.436 -1.529 -0.108) 1.594 9.438 ( 0.203 6.477 0.038) 6.480 9.448 ( 0.062 6.821 -0.111) 6.822 9.781 ( 0.062 -9.382 0.201) 9.384 9.808 ( -0.339 -9.292 -0.205) 9.300 10.149 ( 0.419 -0.411 0.064) 0.590 10.203 ( -1.414 0.677 0.247) 1.587 10.226 ( -0.924 0.244 -0.221) 0.981 10.287 ( -2.215 -0.911 -0.323) 2.417 10.409 ( 0.127 6.935 -0.379) 6.947 10.436 ( 0.929 6.304 -0.119) 6.373 10.566 ( -0.005 -1.619 0.157) 1.626 10.596 ( -0.629 -2.027 -0.214) 2.133 10.700 ( 1.780 2.407 0.085) 2.995 10.717 ( 1.963 3.041 -0.122) 3.622 10.815 ( 1.066 -2.472 -1.393) 3.031 10.893 ( 9.022 -7.918 0.955) 12.042 11.245 ( 0.008 5.206 0.121) 5.208 11.459 ( -2.993 -3.410 -0.337) 4.549 11.603 ( -9.655 8.575 -6.489) 14.452 11.643 ( -4.313 1.848 -1.993) 5.098 12.737 ( -0.228 0.683 -0.060) 0.722 12.741 ( -0.153 0.649 0.009) 0.667 12.766 ( -0.171 -0.552 -0.021) 0.578 12.768 ( -0.097 -0.590 -0.009) 0.598 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 4.682 21.300 0.979) 21.830 0.859 ( 11.703 7.252 13.223) 19.089 1.120 ( 10.748 -2.761 8.887) 14.217 1.249 ( 7.726 -4.401 11.606) 14.621 1.290 ( 11.889 -11.056 5.804) 17.242 1.386 ( 6.675 -2.190 0.744) 7.064 1.499 ( 6.520 5.180 5.737) 10.112 1.576 ( 0.019 6.429 -4.437) 7.812 1.694 ( 3.524 -0.159 -3.515) 4.980 1.753 ( 3.533 1.680 2.099) 4.440 1.813 ( 1.324 2.797 -0.232) 3.103 1.839 ( -0.095 -6.308 -1.283) 6.438 1.914 ( 0.057 -3.721 -0.688) 3.784 1.955 ( -1.081 -0.150 2.747) 2.956 1.966 ( -2.651 -3.119 -0.923) 4.196 2.021 ( 3.447 5.106 0.632) 6.193 2.090 ( 0.089 -2.825 3.464) 4.471 2.125 ( 3.876 2.094 -1.292) 4.591 2.172 ( -3.992 1.429 -1.620) 4.539 2.220 ( 0.574 2.759 -1.653) 3.267 2.247 ( -2.168 1.731 -2.181) 3.529 2.267 ( -0.636 -1.832 -0.678) 2.055 2.286 ( -3.398 3.414 -0.997) 4.918 2.373 ( 5.301 -2.022 0.856) 5.738 2.398 ( 1.127 1.798 -0.125) 2.125 2.446 ( 0.351 2.292 -1.017) 2.532 2.463 ( -2.594 0.527 -3.168) 4.128 2.510 ( 0.470 -2.005 -3.714) 4.247 2.556 ( 0.162 0.564 1.146) 1.287 2.611 ( 0.577 2.883 2.052) 3.585 2.650 ( -2.306 -8.567 -1.224) 8.956 2.710 ( -3.602 -3.992 -1.719) 5.645 2.743 ( 2.424 0.679 4.274) 4.960 2.767 ( -1.171 2.788 -0.306) 3.039 2.795 ( 0.427 3.837 -2.054) 4.373 2.839 ( 1.975 0.988 0.463) 2.256 2.853 ( 0.640 -1.531 2.703) 3.172 2.925 ( -1.752 -1.741 -1.321) 2.801 3.001 ( -1.886 0.064 -0.508) 1.954 3.010 ( 0.855 -2.812 -0.862) 3.062 3.043 ( 0.206 -0.494 -2.034) 2.103 3.084 ( 1.482 -2.475 -0.113) 2.887 3.146 ( -0.259 -2.806 -0.103) 2.820 3.153 ( 1.813 -3.786 0.757) 4.265 3.191 ( -1.360 -0.069 -2.805) 3.118 3.251 ( 3.609 -2.354 0.582) 4.348 3.311 ( 0.373 -1.931 -1.717) 2.611 3.346 ( 0.687 1.462 -2.006) 2.575 3.362 ( -0.342 -1.683 -1.351) 2.186 3.418 ( -0.403 1.284 -1.939) 2.360 3.434 ( 1.020 -2.258 0.518) 2.531 3.467 ( -0.928 -1.769 0.457) 2.050 3.483 ( -0.575 2.395 0.811) 2.593 3.538 ( -1.100 -3.705 0.765) 3.940 3.558 ( 3.080 -4.496 -2.794) 6.124 3.604 ( 1.504 -1.953 0.704) 2.564 3.647 ( -2.312 2.558 1.143) 3.633 3.700 ( -3.892 3.129 2.368) 5.527 3.765 ( -2.324 0.155 -1.837) 2.966 3.775 ( -1.430 3.268 -2.298) 4.243 3.828 ( -1.222 -0.017 2.631) 2.901 3.877 ( -3.623 -1.850 1.333) 4.281 3.925 ( 1.626 -2.210 -0.934) 2.898 4.023 ( -1.505 -3.277 0.278) 3.616 4.077 ( -0.292 3.304 -0.592) 3.369 4.125 ( -0.427 0.676 -0.759) 1.102 4.179 ( -2.649 0.584 0.062) 2.713 4.252 ( -2.940 -1.460 0.344) 3.301 4.343 ( 2.183 3.515 -1.901) 4.553 4.435 ( 3.614 3.599 1.855) 5.427 4.477 ( 1.976 6.532 -1.238) 6.935 4.598 ( 0.191 1.466 0.220) 1.495 4.641 ( -1.810 0.528 -0.443) 1.937 4.667 ( 1.097 2.247 -1.296) 2.817 4.673 ( 1.909 0.302 0.002) 1.933 4.706 ( 0.516 -1.895 -0.152) 1.970 4.712 ( -2.081 -0.713 0.060) 2.201 4.830 ( 0.440 1.837 -0.466) 1.946 4.859 ( -0.153 -1.107 -0.099) 1.122 4.897 ( 1.344 1.749 0.946) 2.400 4.975 ( -0.535 -3.918 1.424) 4.203 4.988 ( 0.176 -2.195 -0.081) 2.203 5.020 ( -0.047 -0.986 1.703) 1.968 5.085 ( -1.337 -3.119 0.420) 3.419 5.138 ( -1.645 0.447 2.185) 2.771 5.237 ( 0.248 -3.801 1.988) 4.297 5.308 ( -0.396 3.269 0.716) 3.370 5.423 ( -0.848 -2.455 1.093) 2.818 5.723 ( -0.866 3.990 0.323) 4.096 5.766 ( -1.538 5.044 -0.138) 5.275 5.886 ( 1.103 -3.192 -0.199) 3.383 5.910 ( 0.455 -2.141 0.173) 2.195 8.441 ( 0.616 0.732 -0.288) 1.000 8.470 ( 0.457 1.565 -0.249) 1.649 8.513 ( -0.727 -1.826 0.070) 1.966 8.533 ( -0.138 -1.018 0.096) 1.032 9.440 ( -0.044 6.515 -0.048) 6.515 9.448 ( 0.058 6.922 -0.004) 6.923 9.787 ( 0.246 -9.144 0.314) 9.153 9.799 ( -0.414 -9.049 -0.222) 9.061 10.154 ( 0.104 -0.529 -0.025) 0.540 10.188 ( -0.074 0.764 -0.044) 0.769 10.218 ( -0.722 -1.675 0.397) 1.866 10.249 ( -1.899 -1.174 -0.146) 2.238 10.411 ( 0.738 6.818 -0.471) 6.874 10.456 ( 1.021 6.115 -0.075) 6.200 10.562 ( -0.520 -1.287 -0.043) 1.389 10.580 ( -0.800 -0.915 -0.258) 1.242 10.724 ( 1.467 1.516 -0.558) 2.182 10.768 ( 3.328 4.707 0.595) 5.795 10.824 ( 1.658 -2.519 -1.634) 3.430 11.025 ( 5.997 -8.221 0.490) 10.188 11.248 ( 0.185 5.059 0.302) 5.072 11.354 ( -5.799 6.607 -2.550) 9.153 11.488 ( -1.939 -1.647 -0.976) 2.725 11.553 ( -4.427 -1.086 -1.566) 4.820 12.731 ( -0.320 0.722 -0.097) 0.795 12.738 ( -0.200 0.771 0.027) 0.797 12.762 ( -0.237 -0.648 -0.054) 0.692 12.766 ( -0.130 -0.484 0.036) 0.503 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 1.178 20.059 -0.029) 20.093 1.131 ( 7.938 4.111 7.019) 11.366 1.338 ( 6.105 -5.532 5.636) 9.982 1.425 ( 0.056 -5.411 6.197) 8.227 1.462 ( 4.505 -5.980 -3.789) 8.392 1.495 ( 2.699 -6.635 1.606) 7.341 1.539 ( 2.566 1.721 3.427) 4.614 1.662 ( 2.877 -4.804 3.439) 6.572 1.713 ( 0.544 3.719 -2.453) 4.488 1.748 ( 1.787 -2.128 2.527) 3.756 1.825 ( 0.349 -1.113 -0.655) 1.337 1.863 ( -2.725 -3.526 -6.649) 8.004 1.886 ( -0.565 -0.413 -0.689) 0.982 1.926 ( 0.484 -1.324 0.898) 1.671 1.948 ( 0.305 -2.538 3.272) 4.152 2.055 ( 4.236 -0.030 -2.418) 4.877 2.076 ( -3.922 3.803 -2.101) 5.853 2.113 ( -3.266 0.210 -0.028) 3.273 2.162 ( -4.742 -0.272 -0.542) 4.780 2.173 ( -0.959 4.380 -1.380) 4.691 2.215 ( 1.039 6.075 0.122) 6.164 2.228 ( 4.097 2.697 3.202) 5.858 2.314 ( 1.588 3.434 -1.156) 3.957 2.359 ( -2.363 5.300 -2.051) 6.155 2.401 ( 1.070 2.427 -0.159) 2.657 2.419 ( -2.571 0.567 -2.593) 3.695 2.462 ( 1.411 -4.789 -0.688) 5.040 2.507 ( 1.074 1.359 0.852) 1.930 2.543 ( -1.043 -0.321 0.041) 1.092 2.583 ( -2.069 -0.575 -1.967) 2.912 2.669 ( -0.238 -3.426 -0.892) 3.548 2.690 ( 1.270 1.395 4.201) 4.605 2.740 ( -0.572 0.259 -2.210) 2.298 2.779 ( 1.553 2.481 -0.432) 2.959 2.848 ( -0.253 -0.586 -0.689) 0.940 2.864 ( 1.336 1.386 0.735) 2.060 2.888 ( -0.063 -4.075 1.225) 4.255 2.931 ( 3.706 0.345 2.489) 4.477 2.987 ( 1.302 1.934 -0.014) 2.331 3.015 ( 1.350 -2.565 0.551) 2.951 3.058 ( 1.726 1.342 0.048) 2.187 3.092 ( -1.909 -0.025 -1.121) 2.214 3.130 ( -1.461 -0.311 1.232) 1.936 3.156 ( -0.585 -0.279 0.685) 0.944 3.178 ( 1.226 -0.947 -2.586) 3.015 3.281 ( -1.851 -6.295 1.125) 6.657 3.295 ( -0.383 2.359 -1.622) 2.888 3.334 ( 1.976 -3.789 -1.079) 4.408 3.367 ( 0.683 -2.367 0.532) 2.520 3.396 ( 0.370 -1.760 0.226) 1.813 3.425 ( -0.961 0.705 -2.394) 2.674 3.470 ( -1.648 -2.034 0.549) 2.674 3.483 ( 1.359 -0.417 0.104) 1.425 3.535 ( -0.554 -2.763 2.137) 3.537 3.587 ( -0.412 -0.600 -0.778) 1.065 3.592 ( 0.652 -0.285 -2.883) 2.969 3.628 ( -1.070 -1.905 -0.039) 2.185 3.655 ( -1.926 2.223 -0.015) 2.941 3.737 ( -0.643 0.577 -0.694) 1.109 3.751 ( 1.601 1.895 1.328) 2.814 3.809 ( -3.706 -0.865 -1.302) 4.022 3.847 ( 0.237 -0.789 2.362) 2.502 3.928 ( 0.693 -3.308 -1.058) 3.541 3.974 ( -3.971 -3.398 0.103) 5.227 4.089 ( 1.186 0.181 -0.685) 1.381 4.099 ( -0.447 1.611 -0.118) 1.676 4.170 ( 0.724 0.159 0.172) 0.761 4.204 ( -2.850 -0.944 0.280) 3.015 4.361 ( 1.255 8.944 -0.800) 9.067 4.488 ( 1.370 10.189 -0.087) 10.281 4.524 ( 3.521 -1.380 0.855) 3.878 4.582 ( -2.596 0.160 -0.151) 2.606 4.618 ( -0.271 3.316 0.212) 3.333 4.643 ( -1.293 -2.639 -0.762) 3.036 4.694 ( -0.121 -0.941 -0.342) 1.008 4.703 ( 0.494 3.023 0.590) 3.119 4.731 ( 1.484 -1.787 0.265) 2.338 4.832 ( 0.292 1.502 -0.420) 1.587 4.855 ( -0.180 -1.147 -0.113) 1.166 4.925 ( 0.594 -0.530 1.100) 1.358 4.963 ( -0.299 -2.535 -1.014) 2.747 4.992 ( -0.358 -2.348 0.767) 2.496 5.032 ( 0.163 0.146 0.405) 0.460 5.071 ( -0.643 -3.075 0.363) 3.163 5.129 ( -0.673 2.153 0.589) 2.331 5.248 ( -0.104 -3.072 0.565) 3.125 5.311 ( -0.071 2.643 0.468) 2.685 5.417 ( -0.514 -2.259 0.426) 2.355 5.715 ( -0.272 4.309 0.095) 4.319 5.748 ( -0.486 5.216 -0.165) 5.241 5.900 ( 0.470 -3.968 0.003) 3.995 5.917 ( 0.228 -2.995 0.081) 3.004 8.449 ( 0.408 0.208 -0.119) 0.473 8.476 ( 0.362 1.457 -0.192) 1.513 8.501 ( -0.613 -1.635 0.000) 1.746 8.534 ( -0.014 -0.838 0.097) 0.843 9.437 ( -0.094 6.785 -0.056) 6.786 9.450 ( 0.089 6.749 0.054) 6.750 9.791 ( -0.099 -8.810 -0.037) 8.811 9.794 ( 0.060 -9.106 0.103) 9.107 10.159 ( 0.420 -1.672 0.132) 1.729 10.191 ( 0.180 0.151 -0.016) 0.235 10.201 ( -1.022 -1.949 -0.270) 2.217 10.230 ( -0.526 -0.646 0.239) 0.867 10.420 ( 0.468 6.486 -0.201) 6.506 10.466 ( 0.321 6.232 -0.095) 6.241 10.552 ( -0.399 -1.250 -0.067) 1.314 10.570 ( -0.281 -0.536 -0.055) 0.608 10.738 ( 0.604 1.158 -0.292) 1.338 10.817 ( 1.535 5.682 0.360) 5.896 10.836 ( 0.875 -2.723 -0.717) 2.948 11.102 ( 2.645 -7.067 0.207) 7.548 11.252 ( -0.501 5.248 -0.029) 5.272 11.269 ( -1.899 6.434 -0.659) 6.741 11.463 ( -0.743 -3.663 -0.135) 3.740 11.487 ( -1.843 -2.904 -0.626) 3.496 12.727 ( -0.142 0.752 -0.043) 0.766 12.736 ( -0.079 0.825 0.019) 0.829 12.758 ( -0.117 -0.660 -0.031) 0.670 12.764 ( -0.065 -0.459 0.019) 0.464 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 -20.343 0.000) 20.343 0.517 ( 0.000 20.343 0.000) 20.343 0.733 ( 0.000 -19.592 0.000) 19.592 0.733 ( 0.000 19.592 0.000) 19.592 1.226 ( 0.000 -4.304 0.000) 4.304 1.226 ( 0.000 4.304 0.000) 4.304 1.615 ( 0.000 -13.320 0.000) 13.320 1.615 ( 0.000 13.320 0.000) 13.320 1.734 ( 0.000 -2.943 0.000) 2.943 1.734 ( 0.000 2.943 0.000) 2.943 1.788 ( 0.000 -4.579 0.000) 4.579 1.788 ( 0.000 4.579 0.000) 4.579 1.856 ( 0.000 -16.073 0.000) 16.073 1.856 ( 0.000 16.073 0.000) 16.073 1.962 ( 0.000 -2.057 0.000) 2.057 1.962 ( 0.000 2.057 0.000) 2.057 2.029 ( 0.000 -19.857 0.000) 19.857 2.029 ( 0.000 19.857 0.000) 19.857 2.136 ( 0.000 -4.774 0.000) 4.774 2.136 ( 0.000 4.774 0.000) 4.774 2.275 ( 0.000 -1.172 0.000) 1.172 2.275 ( 0.000 1.172 0.000) 1.172 2.370 ( 0.000 -5.904 0.000) 5.904 2.370 ( 0.000 5.904 0.000) 5.904 2.393 ( 0.000 -6.591 0.000) 6.591 2.393 ( 0.000 6.591 0.000) 6.591 2.427 ( 0.000 -1.371 0.000) 1.371 2.427 ( 0.000 1.371 0.000) 1.371 2.577 ( 0.000 -0.777 0.000) 0.777 2.577 ( 0.000 0.777 0.000) 0.777 2.607 ( 0.000 -3.486 0.000) 3.486 2.607 ( 0.000 3.486 0.000) 3.486 2.788 ( 0.000 -2.667 0.000) 2.667 2.788 ( 0.000 2.667 0.000) 2.667 2.936 ( 0.000 -4.243 0.000) 4.243 2.936 ( 0.000 4.243 0.000) 4.243 2.963 ( 0.000 -0.917 0.000) 0.917 2.963 ( 0.000 0.917 0.000) 0.917 3.001 ( 0.000 -4.913 0.000) 4.913 3.001 ( 0.000 4.913 0.000) 4.913 3.034 ( 0.000 -0.813 0.000) 0.813 3.034 ( 0.000 0.813 0.000) 0.813 3.122 ( 0.000 -1.285 0.000) 1.285 3.122 ( 0.000 1.285 0.000) 1.285 3.163 ( 0.000 -1.847 0.000) 1.847 3.163 ( 0.000 1.847 0.000) 1.847 3.281 ( 0.000 -3.161 0.000) 3.161 3.281 ( 0.000 3.161 0.000) 3.161 3.386 ( 0.000 -0.605 0.000) 0.605 3.386 ( 0.000 0.605 0.000) 0.605 3.441 ( 0.000 -3.423 0.000) 3.423 3.441 ( 0.000 3.423 0.000) 3.423 3.517 ( 0.000 -1.924 0.000) 1.924 3.517 ( 0.000 1.924 0.000) 1.924 3.603 ( 0.000 -2.357 0.000) 2.357 3.603 ( 0.000 2.357 0.000) 2.357 3.676 ( 0.000 -0.479 0.000) 0.479 3.676 ( 0.000 0.479 0.000) 0.479 3.835 ( 0.000 -0.714 0.000) 0.714 3.835 ( 0.000 0.714 0.000) 0.714 3.862 ( 0.000 -2.293 0.000) 2.293 3.862 ( 0.000 2.293 0.000) 2.293 3.985 ( 0.000 -4.877 0.000) 4.877 3.985 ( 0.000 4.877 0.000) 4.877 4.128 ( 0.000 -1.559 0.000) 1.559 4.128 ( 0.000 1.559 0.000) 1.559 4.280 ( 0.000 -2.777 0.000) 2.777 4.280 ( 0.000 2.777 0.000) 2.777 4.331 ( 0.000 -3.156 0.000) 3.156 4.331 ( 0.000 3.156 0.000) 3.156 4.597 ( 0.000 -4.567 0.000) 4.567 4.597 ( 0.000 4.567 0.000) 4.567 4.638 ( 0.000 -1.563 0.000) 1.563 4.638 ( 0.000 1.563 0.000) 1.563 4.750 ( 0.000 -7.535 0.000) 7.535 4.750 ( 0.000 7.535 0.000) 7.535 4.771 ( 0.000 -3.163 0.000) 3.163 4.771 ( 0.000 3.163 0.000) 3.163 4.817 ( 0.000 -1.568 0.000) 1.568 4.817 ( 0.000 1.568 0.000) 1.568 4.935 ( 0.000 -1.680 0.000) 1.680 4.935 ( 0.000 1.680 0.000) 1.680 5.028 ( 0.000 -5.262 0.000) 5.262 5.028 ( 0.000 5.262 0.000) 5.262 5.136 ( 0.000 -2.045 0.000) 2.045 5.136 ( 0.000 2.045 0.000) 2.045 5.382 ( 0.000 -2.890 0.000) 2.890 5.382 ( 0.000 2.890 0.000) 2.890 5.783 ( 0.000 -3.126 0.000) 3.126 5.783 ( 0.000 3.126 0.000) 3.126 5.894 ( 0.000 -0.237 0.000) 0.237 5.894 ( 0.000 0.237 0.000) 0.237 8.480 ( 0.000 -2.244 0.000) 2.244 8.480 ( 0.000 2.244 0.000) 2.244 8.509 ( 0.000 -2.103 0.000) 2.103 8.509 ( 0.000 2.103 0.000) 2.103 9.592 ( 0.000 -10.322 0.000) 10.322 9.592 ( 0.000 10.322 0.000) 10.322 9.616 ( 0.000 -11.029 0.000) 11.029 9.616 ( 0.000 11.029 0.000) 11.029 10.171 ( 0.000 -2.404 0.000) 2.404 10.171 ( 0.000 2.404 0.000) 2.404 10.288 ( 0.000 -1.828 0.000) 1.828 10.288 ( 0.000 1.828 0.000) 1.828 10.502 ( 0.000 -4.526 0.000) 4.526 10.502 ( 0.000 4.526 0.000) 4.526 10.530 ( 0.000 -3.882 0.000) 3.882 10.530 ( 0.000 3.882 0.000) 3.882 10.734 ( 0.000 -3.037 0.000) 3.037 10.734 ( 0.000 3.037 0.000) 3.037 10.762 ( 0.000 -3.435 0.000) 3.435 10.762 ( 0.000 3.435 0.000) 3.435 11.363 ( 0.000 -7.123 0.000) 7.123 11.363 ( 0.000 7.123 0.000) 7.123 11.747 ( 0.000 -3.929 0.000) 3.929 11.747 ( 0.000 3.929 0.000) 3.929 12.754 ( 0.000 -0.922 0.000) 0.922 12.754 ( 0.000 0.922 0.000) 0.922 12.756 ( 0.000 -0.794 0.000) 0.794 12.756 ( 0.000 0.794 0.000) 0.794 ======================= Grid point 16 (10/54) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 12.394 -13.496 10.288) 21.014 0.703 ( 12.394 13.496 10.288) 21.014 0.826 ( 6.791 -15.987 7.571) 18.948 0.826 ( 6.791 15.987 7.571) 18.948 1.240 ( 1.807 -5.976 -0.152) 6.245 1.240 ( 1.807 5.976 -0.152) 6.245 1.647 ( 3.060 -8.419 -0.974) 9.011 1.647 ( 3.060 8.419 -0.974) 9.011 1.697 ( -2.533 -6.906 -1.941) 7.608 1.697 ( -2.533 6.906 -1.941) 7.608 1.811 ( 3.075 -7.791 1.079) 8.445 1.811 ( 3.075 7.791 1.079) 8.445 1.908 ( 2.567 -7.903 -0.133) 8.310 1.908 ( 2.567 7.903 -0.133) 8.310 1.950 ( -1.680 -3.272 3.604) 5.150 1.950 ( -1.680 3.272 3.604) 5.150 2.058 ( 2.610 -10.877 2.090) 11.379 2.058 ( 2.610 10.877 2.090) 11.379 2.160 ( 1.650 -4.073 0.063) 4.395 2.160 ( 1.650 4.073 0.063) 4.395 2.288 ( 1.648 -3.679 -0.899) 4.130 2.288 ( 1.648 3.679 -0.899) 4.130 2.356 ( 0.887 -2.646 -2.865) 4.000 2.356 ( 0.887 2.646 -2.865) 4.000 2.393 ( 0.259 -1.494 -0.122) 1.521 2.393 ( 0.259 1.494 -0.122) 1.521 2.457 ( 3.458 -1.136 0.177) 3.644 2.457 ( 3.458 1.136 0.177) 3.644 2.566 ( -1.554 -1.189 -0.211) 1.968 2.566 ( -1.554 1.189 -0.211) 1.968 2.624 ( -0.699 -4.881 4.676) 6.795 2.624 ( -0.699 4.881 4.676) 6.795 2.779 ( -0.831 -1.325 -0.752) 1.736 2.779 ( -0.831 1.325 -0.752) 1.736 2.847 ( -3.536 -1.390 -3.888) 5.436 2.847 ( -3.536 1.390 -3.888) 5.436 2.965 ( -4.407 -1.854 0.523) 4.809 2.965 ( -4.407 1.854 0.523) 4.809 2.980 ( -0.983 -4.466 -1.382) 4.777 2.980 ( -0.983 4.466 -1.382) 4.777 3.028 ( 2.205 -2.368 0.450) 3.267 3.028 ( 2.205 2.368 0.450) 3.267 3.136 ( -1.008 -1.472 -0.434) 1.836 3.136 ( -1.008 1.472 -0.434) 1.836 3.193 ( 5.064 -4.248 -1.935) 6.888 3.193 ( 5.064 4.248 -1.935) 6.888 3.298 ( 1.100 -1.676 -0.841) 2.174 3.298 ( 1.100 1.676 -0.841) 2.174 3.404 ( 1.710 -2.811 -1.165) 3.490 3.404 ( 1.710 2.811 -1.165) 3.490 3.441 ( 1.554 -3.149 -1.852) 3.970 3.441 ( 1.554 3.149 -1.852) 3.970 3.493 ( -2.429 -3.028 1.239) 4.074 3.493 ( -2.429 3.028 1.239) 4.074 3.572 ( -1.334 -1.025 -1.490) 2.247 3.572 ( -1.334 1.025 -1.490) 2.247 3.714 ( 1.554 -3.563 1.653) 4.223 3.714 ( 1.554 3.563 1.653) 4.223 3.816 ( -2.815 -3.193 1.231) 4.431 3.816 ( -2.815 3.193 1.231) 4.431 3.852 ( -1.293 -0.718 0.576) 1.587 3.852 ( -1.293 0.718 0.576) 1.587 3.980 ( -1.602 -4.083 0.949) 4.488 3.980 ( -1.602 4.083 0.949) 4.488 4.130 ( 0.873 -0.512 -1.362) 1.697 4.130 ( 0.873 0.512 -1.362) 1.697 4.256 ( -3.520 -2.676 1.588) 4.698 4.256 ( -3.520 2.676 1.588) 4.698 4.347 ( 2.619 -2.632 -0.872) 3.814 4.347 ( 2.619 2.632 -0.872) 3.814 4.610 ( 1.580 -3.721 -0.511) 4.074 4.610 ( 1.580 3.721 -0.511) 4.074 4.636 ( -0.755 -2.085 0.301) 2.238 4.636 ( -0.755 2.085 0.301) 2.238 4.708 ( -0.017 -2.157 -3.737) 4.315 4.708 ( -0.017 2.157 -3.737) 4.315 4.792 ( 0.847 -7.493 -0.432) 7.553 4.792 ( 0.847 7.493 -0.432) 7.553 4.856 ( 1.308 -2.772 3.517) 4.665 4.856 ( 1.308 2.772 3.517) 4.665 4.938 ( -0.020 -2.489 0.542) 2.547 4.938 ( -0.020 2.489 0.542) 2.547 5.023 ( -0.400 -4.263 0.026) 4.281 5.023 ( -0.400 4.263 0.026) 4.281 5.149 ( 0.293 -2.189 2.085) 3.037 5.149 ( 0.293 2.189 2.085) 3.037 5.377 ( -0.585 -3.110 0.181) 3.169 5.377 ( -0.585 3.110 0.181) 3.169 5.790 ( 0.298 -3.012 0.809) 3.133 5.790 ( 0.298 3.012 0.809) 3.133 5.880 ( -1.077 -1.261 -0.660) 1.785 5.880 ( -1.077 1.261 -0.660) 1.785 8.478 ( -0.193 -2.231 -0.303) 2.260 8.478 ( -0.193 2.231 -0.303) 2.260 8.506 ( -0.277 -1.871 0.198) 1.902 8.506 ( -0.277 1.871 0.198) 1.902 9.594 ( 0.182 -10.324 0.105) 10.326 9.594 ( 0.182 10.324 0.105) 10.326 9.614 ( -0.101 -10.893 -0.122) 10.894 9.614 ( -0.101 10.893 -0.122) 10.894 10.174 ( 0.035 -2.284 0.442) 2.326 10.174 ( 0.035 2.284 0.442) 2.326 10.260 ( -2.345 -2.002 -0.515) 3.127 10.260 ( -2.345 2.002 -0.515) 3.127 10.497 ( 0.278 -1.939 -0.501) 2.022 10.497 ( 0.278 1.939 -0.501) 2.022 10.549 ( 0.761 -2.137 0.356) 2.296 10.549 ( 0.761 2.137 0.356) 2.296 10.757 ( 1.242 -3.538 -0.596) 3.797 10.757 ( 1.242 3.538 -0.596) 3.797 10.790 ( 4.349 -4.688 0.487) 6.414 10.790 ( 4.349 4.688 0.487) 6.414 11.358 ( -0.676 -6.645 0.383) 6.690 11.358 ( -0.676 6.645 0.383) 6.690 11.663 ( -6.882 -0.515 -3.276) 7.639 11.663 ( -6.882 0.515 -3.276) 7.639 12.752 ( -0.209 -0.879 -0.044) 0.905 12.752 ( -0.209 0.879 -0.044) 0.905 12.755 ( -0.057 -0.765 -0.005) 0.767 12.755 ( -0.057 0.765 -0.005) 0.767 ======================= Grid point 18 (11/54) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 11.136 -4.269 2.923) 12.279 0.973 ( 11.136 4.269 2.923) 12.279 1.068 ( 6.132 -5.637 16.146) 18.168 1.068 ( 6.132 5.637 16.146) 18.168 1.299 ( 5.945 -6.175 1.637) 8.726 1.299 ( 5.945 6.175 1.637) 8.726 1.637 ( -1.596 -3.550 -2.373) 4.559 1.637 ( -1.596 3.550 -2.373) 4.559 1.702 ( 2.702 -6.570 1.299) 7.222 1.702 ( 2.702 6.570 1.299) 7.222 1.832 ( -0.289 -5.242 0.148) 5.252 1.832 ( -0.289 5.242 0.148) 5.252 1.896 ( -1.809 -3.725 -2.408) 4.790 1.896 ( -1.809 3.725 -2.408) 4.790 2.006 ( 1.580 -5.916 3.708) 7.158 2.006 ( 1.580 5.916 3.708) 7.158 2.131 ( 3.238 -4.276 -1.304) 5.520 2.131 ( 3.238 4.276 -1.304) 5.520 2.179 ( 1.654 -3.773 0.632) 4.167 2.179 ( 1.654 3.773 0.632) 4.167 2.270 ( -1.018 -0.914 -2.950) 3.252 2.270 ( -1.018 0.914 -2.950) 3.252 2.366 ( 0.557 -6.054 -1.800) 6.341 2.366 ( 0.557 6.054 -1.800) 6.341 2.431 ( 2.397 -3.325 0.369) 4.115 2.431 ( 2.397 3.325 0.369) 4.115 2.493 ( 1.167 -1.072 -0.871) 1.808 2.493 ( 1.167 1.072 -0.871) 1.808 2.524 ( -1.310 -3.112 -0.702) 3.449 2.524 ( -1.310 3.112 -0.702) 3.449 2.658 ( 0.662 -2.759 1.803) 3.362 2.658 ( 0.662 2.759 1.803) 3.362 2.769 ( 2.341 -2.481 2.289) 4.108 2.769 ( 2.341 2.481 2.289) 4.108 2.823 ( -0.349 -1.473 0.415) 1.570 2.823 ( -0.349 1.473 0.415) 1.570 2.911 ( -0.721 -1.538 -0.213) 1.712 2.911 ( -0.721 1.538 -0.213) 1.712 2.947 ( -1.143 -6.362 -0.563) 6.488 2.947 ( -1.143 6.362 -0.563) 6.488 3.048 ( -1.094 -2.902 0.539) 3.148 3.048 ( -1.094 2.902 0.539) 3.148 3.122 ( 1.705 -1.165 -1.847) 2.771 3.122 ( 1.705 1.165 -1.847) 2.771 3.235 ( 0.505 -3.264 -1.410) 3.591 3.235 ( 0.505 3.264 -1.410) 3.591 3.297 ( 1.531 -2.895 -1.572) 3.633 3.297 ( 1.531 2.895 -1.572) 3.633 3.406 ( -0.209 -1.784 -2.201) 2.841 3.406 ( -0.209 1.784 -2.201) 2.841 3.445 ( 1.290 -3.017 -2.315) 4.015 3.445 ( 1.290 3.017 -2.315) 4.015 3.471 ( -2.107 -2.334 1.243) 3.381 3.471 ( -2.107 2.334 1.243) 3.381 3.566 ( 1.681 -2.523 -0.175) 3.037 3.566 ( 1.681 2.523 -0.175) 3.037 3.722 ( -1.296 -4.443 -1.206) 4.783 3.722 ( -1.296 4.443 -1.206) 4.783 3.771 ( -4.224 -4.419 2.872) 6.754 3.771 ( -4.224 4.419 2.872) 6.754 3.838 ( -0.524 -3.301 -0.563) 3.389 3.838 ( -0.524 3.301 -0.563) 3.389 3.948 ( -2.692 -3.921 0.929) 4.846 3.948 ( -2.692 3.921 0.929) 4.846 4.128 ( -0.051 -1.346 -0.721) 1.527 4.128 ( -0.051 1.346 -0.721) 1.527 4.205 ( -3.311 -2.584 0.671) 4.253 4.205 ( -3.311 2.584 0.671) 4.253 4.403 ( 3.936 -2.925 0.638) 4.945 4.403 ( 3.936 2.925 0.638) 4.945 4.613 ( -0.963 -2.673 -1.063) 3.033 4.613 ( -0.963 2.673 -1.063) 3.033 4.635 ( 1.341 -4.406 -0.395) 4.622 4.635 ( 1.341 4.406 -0.395) 4.622 4.692 ( 0.265 -1.528 -0.881) 1.784 4.692 ( 0.265 1.528 -0.881) 1.784 4.796 ( 0.415 -6.608 -0.736) 6.662 4.796 ( 0.415 6.608 -0.736) 6.662 4.891 ( 0.169 -4.322 1.092) 4.461 4.891 ( 0.169 4.322 1.092) 4.461 4.941 ( -0.172 -3.247 0.333) 3.268 4.941 ( -0.172 3.247 0.333) 3.268 5.024 ( 0.085 -1.930 0.975) 2.163 5.024 ( 0.085 1.930 0.975) 2.163 5.173 ( 0.013 -3.018 2.049) 3.648 5.173 ( 0.013 3.018 2.049) 3.648 5.370 ( -0.534 -3.327 0.408) 3.394 5.370 ( -0.534 3.327 0.408) 3.394 5.802 ( 0.114 -3.846 0.903) 3.952 5.802 ( 0.114 3.846 0.903) 3.952 5.857 ( -0.721 -3.023 -0.815) 3.213 5.857 ( -0.721 3.023 -0.815) 3.213 8.471 ( -0.148 -2.114 -0.390) 2.155 8.471 ( -0.148 2.114 -0.390) 2.155 8.506 ( 0.003 -1.724 0.277) 1.747 8.506 ( 0.003 1.724 0.277) 1.747 9.599 ( 0.178 -10.494 0.168) 10.496 9.599 ( 0.178 10.494 0.168) 10.496 9.611 ( -0.100 -10.596 -0.138) 10.598 9.611 ( -0.100 10.596 -0.138) 10.598 10.175 ( -0.434 -2.147 0.170) 2.197 10.175 ( -0.434 2.147 0.170) 2.197 10.223 ( -1.430 -1.738 -0.135) 2.255 10.223 ( -1.430 1.738 -0.135) 2.255 10.502 ( 0.633 -2.579 -0.221) 2.665 10.502 ( 0.633 2.579 -0.221) 2.665 10.552 ( -0.224 -1.766 -0.202) 1.791 10.552 ( -0.224 1.766 -0.202) 1.791 10.769 ( 1.282 -3.158 -1.103) 3.582 10.769 ( 1.282 3.158 -1.103) 3.582 10.883 ( 5.117 -7.508 0.859) 9.126 10.883 ( 5.117 7.508 0.859) 9.126 11.351 ( -0.670 -5.202 0.770) 5.302 11.351 ( -0.670 5.202 0.770) 5.302 11.514 ( -6.560 -3.214 -3.084) 7.930 11.514 ( -6.560 3.214 -3.084) 7.930 12.747 ( -0.267 -0.922 -0.110) 0.966 12.747 ( -0.267 0.922 -0.110) 0.966 12.753 ( -0.116 -0.837 0.051) 0.847 12.753 ( -0.116 0.837 0.051) 0.847 ======================= Grid point 20 (12/54) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.215 -14.051 -0.245) 14.227 1.091 ( 2.215 14.051 -0.245) 14.227 1.272 ( 4.518 -5.796 9.964) 12.381 1.272 ( 4.518 5.796 9.964) 12.381 1.440 ( 4.033 -1.861 0.195) 4.446 1.440 ( 4.033 1.861 0.195) 4.446 1.587 ( -0.723 -2.813 -0.182) 2.910 1.587 ( -0.723 2.813 -0.182) 2.910 1.765 ( 1.045 -1.119 0.205) 1.545 1.765 ( 1.045 1.119 0.205) 1.545 1.824 ( -1.115 -2.449 -1.931) 3.312 1.824 ( -1.115 2.449 -1.931) 3.312 1.862 ( 2.050 -3.880 3.585) 5.666 1.862 ( 2.050 3.880 3.585) 5.666 2.013 ( -2.244 -4.627 -3.539) 6.243 2.013 ( -2.244 4.627 -3.539) 6.243 2.112 ( -0.850 -0.604 -1.520) 1.843 2.112 ( -0.850 0.604 -1.520) 1.843 2.205 ( -0.418 -3.587 0.674) 3.674 2.205 ( -0.418 3.587 0.674) 3.674 2.260 ( 0.936 -6.328 0.152) 6.399 2.260 ( 0.936 6.328 0.152) 6.399 2.345 ( 0.366 -6.632 -1.900) 6.909 2.345 ( 0.366 6.632 -1.900) 6.909 2.420 ( 1.186 -1.540 -1.556) 2.490 2.420 ( 1.186 1.540 -1.556) 2.490 2.476 ( -3.193 -4.685 -0.171) 5.672 2.476 ( -3.193 4.685 -0.171) 5.672 2.558 ( 2.453 -3.617 0.546) 4.404 2.558 ( 2.453 3.617 0.546) 4.404 2.703 ( 1.376 -5.589 1.767) 6.021 2.703 ( 1.376 5.589 1.767) 6.021 2.768 ( -1.755 -2.293 -1.831) 3.419 2.768 ( -1.755 2.293 -1.831) 3.419 2.844 ( 0.912 -2.733 1.509) 3.252 2.844 ( 0.912 2.733 1.509) 3.252 2.934 ( 0.375 -3.893 0.298) 3.922 2.934 ( 0.375 3.893 0.298) 3.922 2.981 ( 3.004 -3.905 2.061) 5.341 2.981 ( 3.004 3.905 2.061) 5.341 3.040 ( 2.199 -3.295 0.397) 3.981 3.040 ( 2.199 3.295 0.397) 3.981 3.144 ( -0.664 -1.448 0.717) 1.747 3.144 ( -0.664 1.448 0.717) 1.747 3.205 ( -1.086 -3.461 -0.576) 3.672 3.205 ( -1.086 3.461 -0.576) 3.672 3.311 ( 2.202 -2.337 -3.376) 4.659 3.311 ( 2.202 2.337 -3.376) 4.659 3.357 ( -2.713 -1.109 -0.921) 3.072 3.357 ( -2.713 1.109 -0.921) 3.072 3.445 ( 1.003 -1.249 0.492) 1.676 3.445 ( 1.003 1.249 0.492) 1.676 3.473 ( -0.010 -2.416 0.591) 2.487 3.473 ( -0.010 2.416 0.591) 2.487 3.586 ( 1.325 -1.243 -1.026) 2.087 3.586 ( 1.325 1.243 -1.026) 2.087 3.644 ( -4.416 -2.687 -2.119) 5.587 3.644 ( -4.416 2.687 -2.119) 5.587 3.768 ( -0.127 -2.838 3.627) 4.607 3.768 ( -0.127 2.838 3.627) 4.607 3.813 ( -1.115 -3.086 -1.921) 3.802 3.813 ( -1.115 3.086 -1.921) 3.802 3.925 ( -0.756 -1.910 0.453) 2.103 3.925 ( -0.756 1.910 0.453) 2.103 4.118 ( -0.414 -1.203 -0.190) 1.287 4.118 ( -0.414 1.203 -0.190) 1.287 4.172 ( -1.093 -1.652 0.234) 1.994 4.172 ( -1.093 1.652 0.234) 1.994 4.471 ( 2.607 -3.899 0.885) 4.773 4.471 ( 2.607 3.899 0.885) 4.773 4.585 ( -1.022 -2.847 -0.923) 3.163 4.585 ( -1.022 2.847 -0.923) 3.163 4.646 ( 0.279 -4.534 -0.041) 4.543 4.646 ( 0.279 4.534 -0.041) 4.543 4.692 ( 0.202 -2.169 -0.170) 2.185 4.692 ( 0.202 2.169 -0.170) 2.185 4.796 ( 0.147 -5.753 -0.308) 5.763 4.796 ( 0.147 5.753 -0.308) 5.763 4.890 ( -0.423 -4.795 0.185) 4.817 4.890 ( -0.423 4.795 0.185) 4.817 4.939 ( -0.038 -1.268 -0.139) 1.277 4.939 ( -0.038 1.268 -0.139) 1.277 5.037 ( 0.242 -0.646 0.719) 0.996 5.037 ( 0.242 0.646 0.719) 0.996 5.184 ( -0.099 -3.636 0.711) 3.706 5.184 ( -0.099 3.636 0.711) 3.706 5.366 ( -0.218 -3.201 0.227) 3.216 5.366 ( -0.218 3.201 0.227) 3.216 5.809 ( 0.030 -5.421 0.383) 5.435 5.809 ( 0.030 5.421 0.383) 5.435 5.844 ( -0.198 -4.778 -0.368) 4.797 5.844 ( -0.198 4.778 -0.368) 4.797 8.467 ( -0.006 -1.654 -0.161) 1.662 8.467 ( -0.006 1.654 -0.161) 1.662 8.508 ( 0.016 -1.813 0.097) 1.816 8.508 ( 0.016 1.813 0.097) 1.816 9.602 ( 0.054 -10.818 0.084) 10.818 9.602 ( 0.054 10.818 0.084) 10.818 9.609 ( -0.017 -10.300 -0.051) 10.300 9.609 ( -0.017 10.300 -0.051) 10.300 10.165 ( -0.427 -1.720 -0.114) 1.776 10.165 ( -0.427 1.720 -0.114) 1.776 10.211 ( -0.267 -1.355 0.129) 1.387 10.211 ( -0.267 1.355 0.129) 1.387 10.510 ( 0.310 -3.183 -0.029) 3.198 10.510 ( 0.310 3.183 -0.029) 3.198 10.545 ( -0.218 -2.288 -0.178) 2.305 10.545 ( -0.218 2.288 -0.178) 2.305 10.778 ( 0.624 -3.136 -0.494) 3.236 10.778 ( 0.624 3.136 -0.494) 3.236 10.953 ( 2.160 -8.667 0.348) 8.939 10.953 ( 2.160 8.667 0.348) 8.939 11.356 ( 0.402 -3.916 1.035) 4.070 11.356 ( 0.402 3.916 1.035) 4.070 11.408 ( -3.246 -4.038 -1.769) 5.474 11.408 ( -3.246 4.038 -1.769) 5.474 12.743 ( -0.114 -0.969 -0.046) 0.977 12.743 ( -0.114 0.969 -0.046) 0.977 12.752 ( -0.065 -0.870 0.021) 0.872 12.752 ( -0.065 0.870 0.021) 0.872 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -9.816 0.000 16.922) 19.563 0.414 ( -3.754 0.000 19.116) 19.481 0.804 ( 2.731 0.000 36.341) 36.444 1.117 ( 5.930 0.000 -0.403) 5.943 1.244 ( -2.541 0.000 2.418) 3.508 1.260 ( 2.918 0.000 9.964) 10.382 1.328 ( -4.682 0.000 5.644) 7.334 1.355 ( 2.873 0.000 -7.715) 8.232 1.669 ( 0.479 0.000 -3.254) 3.289 1.682 ( 0.708 0.000 -3.147) 3.225 1.715 ( -0.251 0.000 3.343) 3.352 1.807 ( 2.404 0.000 3.099) 3.922 1.845 ( 3.814 0.000 2.834) 4.752 1.879 ( -4.077 0.000 -1.582) 4.373 1.902 ( -0.329 0.000 2.242) 2.266 2.004 ( 4.347 0.000 3.732) 5.729 2.038 ( -2.380 0.000 -2.080) 3.161 2.168 ( 2.211 0.000 -0.377) 2.242 2.168 ( -3.073 0.000 1.779) 3.550 2.202 ( 4.117 0.000 -4.854) 6.365 2.263 ( -0.596 0.000 1.195) 1.335 2.313 ( -2.030 0.000 -0.193) 2.039 2.364 ( 0.743 0.000 3.738) 3.811 2.370 ( -2.735 0.000 0.508) 2.781 2.387 ( -1.050 0.000 1.596) 1.911 2.393 ( 0.385 0.000 -2.087) 2.122 2.482 ( -0.362 0.000 0.617) 0.715 2.517 ( -1.001 0.000 2.700) 2.880 2.626 ( 1.097 0.000 -2.861) 3.064 2.662 ( 2.850 0.000 -2.172) 3.584 2.695 ( 1.311 0.000 -0.978) 1.636 2.712 ( -1.624 0.000 -1.884) 2.487 2.727 ( 1.386 0.000 -2.776) 3.103 2.804 ( -2.183 0.000 -3.584) 4.197 2.864 ( -0.664 0.000 -6.443) 6.477 2.892 ( -8.472 0.000 -6.115) 10.449 2.924 ( -0.535 0.000 -3.367) 3.409 2.931 ( -0.692 0.000 1.240) 1.420 3.013 ( -4.598 0.000 -1.791) 4.935 3.041 ( 3.101 0.000 4.772) 5.690 3.070 ( -0.577 0.000 -1.923) 2.008 3.106 ( 6.383 0.000 0.779) 6.430 3.142 ( -5.041 0.000 2.366) 5.568 3.181 ( 1.895 0.000 0.894) 2.095 3.185 ( 1.021 0.000 -0.916) 1.371 3.207 ( 2.549 0.000 1.084) 2.770 3.291 ( 0.444 0.000 -0.639) 0.778 3.296 ( -0.507 0.000 -1.643) 1.719 3.385 ( -2.200 0.000 -1.790) 2.836 3.398 ( -1.910 0.000 -1.392) 2.363 3.427 ( -0.570 0.000 0.707) 0.908 3.449 ( 1.271 0.000 0.622) 1.415 3.518 ( -0.758 0.000 -1.496) 1.677 3.543 ( 4.617 0.000 -1.709) 4.923 3.562 ( -1.766 0.000 -0.386) 1.808 3.613 ( 6.043 0.000 -3.312) 6.891 3.686 ( -2.411 0.000 3.298) 4.085 3.688 ( 1.628 0.000 0.586) 1.730 3.773 ( 2.582 0.000 0.751) 2.689 3.816 ( 4.361 0.000 0.910) 4.455 3.859 ( -0.571 0.000 2.020) 2.099 3.877 ( 3.256 0.000 -1.705) 3.675 3.941 ( -1.688 0.000 -3.661) 4.031 3.943 ( -4.763 0.000 2.674) 5.462 4.014 ( -1.909 0.000 -4.033) 4.462 4.098 ( -0.284 0.000 0.537) 0.607 4.159 ( 4.938 0.000 2.966) 5.760 4.265 ( -1.357 0.000 -4.021) 4.244 4.284 ( -0.518 0.000 -3.077) 3.120 4.368 ( -0.910 0.000 0.577) 1.078 4.513 ( 0.687 0.000 2.131) 2.239 4.582 ( -0.343 0.000 2.650) 2.673 4.586 ( 0.100 0.000 -0.733) 0.740 4.660 ( -2.520 0.000 0.890) 2.673 4.666 ( -1.771 0.000 -5.224) 5.516 4.737 ( -0.121 0.000 -2.168) 2.171 4.762 ( 1.629 0.000 1.162) 2.001 4.801 ( -0.601 0.000 5.564) 5.596 4.827 ( 0.248 0.000 0.265) 0.363 4.849 ( -0.327 0.000 -1.815) 1.845 4.986 ( 1.626 0.000 -1.304) 2.084 4.988 ( 1.468 0.000 1.818) 2.337 5.117 ( -0.963 0.000 2.450) 2.632 5.178 ( -0.390 0.000 -0.032) 0.392 5.235 ( 0.051 0.000 1.207) 1.208 5.277 ( 0.578 0.000 1.779) 1.871 5.469 ( 1.459 0.000 3.330) 3.635 5.696 ( -1.173 0.000 -0.751) 1.393 5.705 ( 0.220 0.000 0.178) 0.283 5.767 ( -1.250 0.000 -0.519) 1.354 5.875 ( 0.412 0.000 0.899) 0.989 6.035 ( -10.109 0.000 -2.765) 10.480 8.421 ( -0.412 0.000 -0.105) 0.425 8.435 ( 0.149 0.000 -0.393) 0.420 8.534 ( -0.141 0.000 0.461) 0.482 8.558 ( -0.105 0.000 -0.087) 0.137 9.374 ( 0.131 0.000 0.002) 0.131 9.379 ( -0.036 0.000 -0.126) 0.132 9.873 ( 0.154 0.000 0.261) 0.303 9.896 ( -0.152 0.000 -0.238) 0.283 10.180 ( -0.375 0.000 -0.152) 0.405 10.192 ( -0.059 0.000 -0.285) 0.291 10.243 ( 0.878 0.000 1.305) 1.573 10.289 ( -0.120 0.000 0.086) 0.147 10.298 ( 0.055 0.000 -0.129) 0.140 10.318 ( 0.188 0.000 -0.421) 0.461 10.583 ( 0.342 0.000 0.270) 0.436 10.627 ( -0.381 0.000 -0.759) 0.849 10.660 ( 0.218 0.000 0.054) 0.225 10.664 ( -0.105 0.000 -0.032) 0.110 10.787 ( 8.374 0.000 0.582) 8.394 10.833 ( -2.211 0.000 -0.408) 2.248 11.169 ( -0.002 0.000 0.217) 0.217 11.191 ( -0.051 0.000 -0.257) 0.262 11.541 ( 0.067 0.000 0.296) 0.304 11.622 ( -0.059 0.000 -1.478) 1.479 12.733 ( -0.048 0.000 -0.025) 0.054 12.735 ( 0.076 0.000 -0.073) 0.106 12.773 ( 0.064 0.000 0.038) 0.075 12.775 ( -0.051 0.000 -0.004) 0.052 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.056 0.000 16.309) 16.309 0.687 ( 14.725 0.000 12.444) 19.279 1.164 ( 5.298 0.000 19.254) 19.969 1.227 ( 6.477 0.000 0.199) 6.480 1.320 ( 6.765 0.000 -5.553) 8.753 1.358 ( 3.428 0.000 5.084) 6.132 1.389 ( 8.658 0.000 9.369) 12.758 1.439 ( 7.032 0.000 9.266) 11.632 1.642 ( -1.773 0.000 -3.706) 4.108 1.693 ( 3.375 0.000 -0.993) 3.518 1.755 ( 1.995 0.000 4.871) 5.264 1.854 ( 2.293 0.000 -0.186) 2.300 1.873 ( 1.851 0.000 2.648) 3.230 1.925 ( 3.270 0.000 0.056) 3.270 1.972 ( 0.812 0.000 1.530) 1.732 2.017 ( 8.915 0.000 -3.363) 9.529 2.093 ( -3.886 0.000 -0.173) 3.889 2.146 ( -3.247 0.000 -0.460) 3.280 2.146 ( 1.048 0.000 1.796) 2.079 2.203 ( -0.070 0.000 -2.354) 2.355 2.259 ( -2.674 0.000 -1.959) 3.314 2.261 ( -1.898 0.000 1.847) 2.648 2.361 ( -3.604 0.000 0.004) 3.604 2.374 ( -0.168 0.000 -2.180) 2.187 2.390 ( 1.618 0.000 1.412) 2.147 2.436 ( -1.762 0.000 -0.757) 1.917 2.482 ( -2.449 0.000 3.767) 4.493 2.497 ( 7.962 0.000 0.707) 7.994 2.564 ( -11.095 0.000 -6.027) 12.627 2.598 ( -2.925 0.000 -2.547) 3.878 2.672 ( -0.634 0.000 -4.359) 4.405 2.707 ( 0.495 0.000 -1.511) 1.590 2.720 ( 0.082 0.000 -4.142) 4.143 2.723 ( 4.360 0.000 3.361) 5.505 2.814 ( 0.648 0.000 -2.687) 2.764 2.860 ( 0.728 0.000 -1.627) 1.782 2.888 ( -1.540 0.000 -2.965) 3.341 2.917 ( 2.641 0.000 -2.457) 3.607 2.948 ( 0.025 0.000 1.874) 1.874 2.985 ( -8.407 0.000 -0.634) 8.430 3.026 ( -3.157 0.000 -1.127) 3.352 3.149 ( -1.200 0.000 -4.035) 4.210 3.150 ( -0.052 0.000 3.240) 3.240 3.193 ( 0.529 0.000 -1.505) 1.595 3.221 ( 4.121 0.000 -2.871) 5.022 3.277 ( 3.064 0.000 1.967) 3.641 3.298 ( 0.410 0.000 3.107) 3.134 3.312 ( 2.679 0.000 -0.052) 2.680 3.348 ( -0.178 0.000 -0.751) 0.772 3.376 ( 0.005 0.000 -0.684) 0.684 3.445 ( -0.192 0.000 -0.221) 0.293 3.479 ( 1.729 0.000 0.417) 1.779 3.505 ( 0.521 0.000 -0.524) 0.739 3.528 ( 0.790 0.000 -4.459) 4.529 3.555 ( 1.832 0.000 -0.526) 1.906 3.656 ( -1.209 0.000 2.131) 2.450 3.701 ( -2.530 0.000 1.437) 2.909 3.720 ( 4.039 0.000 -3.830) 5.566 3.791 ( -3.092 0.000 1.012) 3.254 3.828 ( -3.147 0.000 -4.336) 5.358 3.837 ( 0.183 0.000 2.626) 2.633 3.877 ( -1.829 0.000 1.293) 2.240 3.918 ( 1.422 0.000 1.582) 2.127 3.948 ( -0.984 0.000 -4.556) 4.661 3.993 ( 6.838 0.000 1.895) 7.096 4.104 ( -0.257 0.000 -0.791) 0.831 4.179 ( 0.143 0.000 -4.020) 4.023 4.238 ( -1.572 0.000 -3.305) 3.660 4.301 ( 4.205 0.000 4.587) 6.223 4.331 ( -2.799 0.000 -1.933) 3.402 4.515 ( -2.715 0.000 1.960) 3.348 4.583 ( -0.788 0.000 -1.445) 1.646 4.593 ( 1.055 0.000 0.461) 1.151 4.640 ( 1.880 0.000 1.134) 2.195 4.654 ( 1.192 0.000 -1.576) 1.976 4.721 ( 0.730 0.000 -2.036) 2.163 4.804 ( 0.636 0.000 2.349) 2.434 4.809 ( -3.291 0.000 3.981) 5.165 4.838 ( 0.833 0.000 -1.689) 1.883 4.846 ( 2.197 0.000 0.091) 2.199 4.994 ( 1.052 0.000 -1.748) 2.040 5.020 ( 0.647 0.000 1.121) 1.294 5.097 ( -2.821 0.000 0.584) 2.881 5.160 ( -1.628 0.000 -0.017) 1.628 5.238 ( -1.729 0.000 1.870) 2.547 5.295 ( -0.198 0.000 1.318) 1.333 5.511 ( -1.519 0.000 4.671) 4.912 5.519 ( -18.615 0.000 5.691) 19.466 5.699 ( -1.437 0.000 0.243) 1.458 5.702 ( -0.615 0.000 0.188) 0.643 5.905 ( 1.434 0.000 1.465) 2.050 5.915 ( -0.758 0.000 0.016) 0.758 8.421 ( 0.756 0.000 -0.336) 0.827 8.436 ( 0.327 0.000 -0.338) 0.470 8.540 ( 0.095 0.000 0.490) 0.500 8.550 ( -0.709 0.000 -0.206) 0.739 9.378 ( 0.316 0.000 0.101) 0.332 9.380 ( 0.011 0.000 -0.363) 0.364 9.879 ( 0.119 0.000 0.386) 0.404 9.889 ( -0.366 0.000 -0.368) 0.519 10.186 ( -0.296 0.000 -0.052) 0.301 10.186 ( 1.021 0.000 -0.217) 1.044 10.257 ( -0.490 0.000 1.051) 1.160 10.277 ( -1.090 0.000 0.019) 1.090 10.307 ( 1.067 0.000 -0.046) 1.068 10.326 ( 0.919 0.000 -0.917) 1.298 10.586 ( -0.367 0.000 0.346) 0.504 10.602 ( -1.236 0.000 -0.667) 1.405 10.680 ( 1.632 0.000 -0.347) 1.669 10.683 ( 2.286 0.000 0.248) 2.300 10.808 ( 0.578 0.000 -1.122) 1.262 11.007 ( 12.920 0.000 -5.824) 14.172 11.174 ( 0.293 0.000 0.309) 0.426 11.190 ( 0.284 0.000 -0.300) 0.413 11.536 ( -1.091 0.000 0.571) 1.232 11.589 ( -2.017 0.000 -1.723) 2.653 12.729 ( -0.308 0.000 -0.057) 0.313 12.734 ( -0.158 0.000 -0.031) 0.161 12.772 ( -0.218 0.000 -0.044) 0.222 12.773 ( -0.098 0.000 0.063) 0.116 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.886 0.000 13.430) 13.459 1.041 ( 14.564 0.000 9.443) 17.358 1.313 ( 4.978 0.000 -4.157) 6.486 1.326 ( 5.748 0.000 -5.572) 8.006 1.365 ( 6.508 0.000 -0.939) 6.575 1.512 ( 7.742 0.000 5.396) 9.437 1.573 ( -1.367 0.000 -1.498) 2.028 1.616 ( 7.110 0.000 2.760) 7.627 1.721 ( 9.599 0.000 13.639) 16.678 1.756 ( 1.877 0.000 4.746) 5.103 1.829 ( 2.356 0.000 0.291) 2.374 1.887 ( -0.802 0.000 -1.973) 2.130 1.920 ( 0.606 0.000 3.189) 3.246 1.941 ( -0.175 0.000 -2.738) 2.744 2.015 ( 2.529 0.000 -0.675) 2.617 2.034 ( -0.739 0.000 0.540) 0.915 2.071 ( 2.762 0.000 -4.701) 5.452 2.108 ( -2.294 0.000 1.035) 2.516 2.118 ( -4.990 0.000 -2.783) 5.714 2.170 ( -2.238 0.000 -2.177) 3.122 2.223 ( -5.244 0.000 3.228) 6.158 2.223 ( 2.487 0.000 4.999) 5.584 2.256 ( -5.511 0.000 -2.228) 5.945 2.306 ( -2.101 0.000 -6.029) 6.385 2.371 ( -3.009 0.000 -1.686) 3.449 2.434 ( -0.880 0.000 0.642) 1.089 2.441 ( 3.782 0.000 -0.327) 3.797 2.520 ( -0.939 0.000 1.317) 1.617 2.521 ( -0.973 0.000 -0.439) 1.068 2.645 ( 3.757 0.000 -2.332) 4.421 2.660 ( -4.101 0.000 -6.269) 7.491 2.664 ( 4.140 0.000 4.767) 6.314 2.708 ( -0.160 0.000 -0.426) 0.455 2.803 ( 1.908 0.000 0.574) 1.992 2.822 ( 4.966 0.000 3.703) 6.194 2.856 ( -2.744 0.000 0.399) 2.773 2.879 ( 3.647 0.000 -0.124) 3.649 2.935 ( 1.799 0.000 -3.786) 4.191 2.939 ( 1.174 0.000 -0.698) 1.366 2.964 ( -0.953 0.000 -2.132) 2.335 2.982 ( 1.840 0.000 2.657) 3.232 3.059 ( -3.438 0.000 -3.504) 4.908 3.148 ( -2.043 0.000 0.856) 2.215 3.180 ( -0.550 0.000 -0.225) 0.594 3.246 ( 0.575 0.000 -0.398) 0.699 3.293 ( -1.193 0.000 1.355) 1.805 3.337 ( 1.412 0.000 -0.989) 1.724 3.354 ( -1.347 0.000 -3.728) 3.964 3.369 ( 2.678 0.000 1.707) 3.176 3.377 ( 2.375 0.000 1.337) 2.725 3.410 ( -1.506 0.000 -0.681) 1.653 3.496 ( 1.339 0.000 -2.700) 3.014 3.528 ( 2.380 0.000 -1.240) 2.684 3.533 ( 2.961 0.000 0.128) 2.964 3.585 ( 0.649 0.000 0.395) 0.760 3.631 ( -5.664 0.000 0.338) 5.674 3.659 ( -3.088 0.000 -1.856) 3.603 3.701 ( -0.075 0.000 -0.066) 0.100 3.725 ( -2.445 0.000 -3.827) 4.541 3.728 ( -5.208 0.000 2.226) 5.664 3.853 ( -0.405 0.000 -2.898) 2.926 3.869 ( 0.914 0.000 1.487) 1.746 3.952 ( 4.620 0.000 -2.624) 5.313 3.992 ( 2.451 0.000 3.298) 4.109 4.066 ( -2.001 0.000 -0.745) 2.135 4.099 ( 2.914 0.000 3.039) 4.211 4.180 ( 1.343 0.000 -0.201) 1.358 4.185 ( -0.216 0.000 -2.976) 2.984 4.247 ( -4.069 0.000 -3.485) 5.357 4.364 ( -1.328 0.000 2.384) 2.729 4.518 ( 1.344 0.000 2.721) 3.035 4.578 ( 1.190 0.000 -0.638) 1.350 4.612 ( 0.386 0.000 0.375) 0.538 4.647 ( -0.624 0.000 -1.221) 1.371 4.681 ( 1.475 0.000 -0.395) 1.527 4.740 ( 2.365 0.000 1.491) 2.796 4.781 ( -4.297 0.000 4.194) 6.005 4.818 ( -0.961 0.000 1.755) 2.001 4.840 ( 1.288 0.000 -1.796) 2.210 4.896 ( 3.270 0.000 -0.118) 3.272 4.994 ( 1.250 0.000 -2.225) 2.552 5.011 ( -1.586 0.000 -2.848) 3.259 5.056 ( -2.641 0.000 2.265) 3.479 5.134 ( -1.565 0.000 0.766) 1.743 5.202 ( -5.197 0.000 2.616) 5.818 5.296 ( -0.519 0.000 0.312) 0.605 5.346 ( -6.869 0.000 2.330) 7.253 5.494 ( -4.015 0.000 2.277) 4.616 5.683 ( -0.619 0.000 -0.245) 0.666 5.693 ( -0.592 0.000 0.189) 0.621 5.924 ( 1.201 0.000 -0.194) 1.216 5.935 ( 0.751 0.000 0.862) 1.143 8.437 ( 1.363 0.000 -0.289) 1.393 8.441 ( 0.606 0.000 -0.287) 0.671 8.533 ( -1.024 0.000 -0.147) 1.034 8.543 ( -0.164 0.000 0.284) 0.328 9.375 ( -0.156 0.000 -0.197) 0.252 9.384 ( 0.251 0.000 0.127) 0.281 9.880 ( -0.260 0.000 -0.314) 0.407 9.883 ( -0.023 0.000 0.296) 0.297 10.189 ( 0.541 0.000 0.423) 0.686 10.201 ( 0.909 0.000 -0.495) 1.035 10.252 ( -1.764 0.000 -0.555) 1.849 10.252 ( -0.893 0.000 0.711) 1.142 10.330 ( 0.785 0.000 -0.824) 1.138 10.330 ( 1.559 0.000 0.184) 1.570 10.578 ( -0.897 0.000 0.269) 0.936 10.581 ( -0.760 0.000 -0.298) 0.817 10.706 ( 1.782 0.000 -0.321) 1.811 10.730 ( 2.709 0.000 0.228) 2.719 10.835 ( 2.494 0.000 0.687) 2.587 11.108 ( 5.709 0.000 -3.978) 6.958 11.183 ( 0.286 0.000 0.315) 0.426 11.195 ( 0.627 0.000 -0.251) 0.676 11.519 ( -1.515 0.000 0.635) 1.643 11.536 ( -2.362 0.000 -1.156) 2.630 12.723 ( -0.329 0.000 -0.022) 0.330 12.730 ( -0.221 0.000 -0.011) 0.221 12.768 ( -0.241 0.000 -0.047) 0.246 12.771 ( -0.177 0.000 0.040) 0.181 ======================= Grid point 38 (16/54) ======================= q-point: (-0.57 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -3.547 0.000 11.644) 12.172 1.176 ( -10.055 0.000 -2.137) 10.280 1.305 ( 2.323 0.000 -9.269) 9.555 1.390 ( 8.922 0.000 -1.086) 8.988 1.412 ( 7.161 0.000 -6.666) 9.783 1.586 ( -6.321 0.000 -2.559) 6.820 1.642 ( 7.325 0.000 1.694) 7.519 1.749 ( 6.508 0.000 -0.325) 6.516 1.756 ( -4.793 0.000 -4.047) 6.273 1.758 ( -2.973 0.000 -0.237) 2.983 1.861 ( 3.706 0.000 1.339) 3.940 1.867 ( -3.674 0.000 4.022) 5.447 1.904 ( 3.096 0.000 -2.685) 4.098 1.928 ( -3.626 0.000 0.165) 3.630 2.002 ( -2.897 0.000 -0.639) 2.967 2.060 ( -1.837 0.000 4.429) 4.795 2.064 ( 0.587 0.000 -3.523) 3.571 2.106 ( 0.319 0.000 2.382) 2.403 2.141 ( 0.353 0.000 -0.718) 0.800 2.142 ( -0.473 0.000 -2.652) 2.694 2.178 ( -2.156 0.000 0.998) 2.376 2.188 ( 1.092 0.000 6.575) 6.665 2.203 ( -0.249 0.000 0.538) 0.593 2.336 ( 5.066 0.000 1.663) 5.332 2.351 ( -1.034 0.000 4.505) 4.622 2.438 ( 1.060 0.000 -3.420) 3.581 2.466 ( -3.009 0.000 0.889) 3.137 2.527 ( 1.923 0.000 2.204) 2.925 2.551 ( -1.674 0.000 -0.437) 1.730 2.576 ( 3.854 0.000 4.236) 5.727 2.685 ( -1.600 0.000 1.437) 2.150 2.706 ( 0.184 0.000 1.229) 1.242 2.736 ( 3.015 0.000 -0.774) 3.113 2.836 ( 1.383 0.000 0.564) 1.493 2.844 ( -2.792 0.000 -1.051) 2.983 2.859 ( 4.887 0.000 -5.396) 7.280 2.920 ( -2.110 0.000 1.481) 2.578 2.932 ( -1.541 0.000 -4.049) 4.332 2.943 ( -0.277 0.000 0.699) 0.752 2.973 ( 3.077 0.000 -3.484) 4.648 3.029 ( 7.186 0.000 4.304) 8.376 3.036 ( -0.003 0.000 -2.544) 2.544 3.118 ( -2.431 0.000 1.385) 2.798 3.176 ( -5.600 0.000 -3.162) 6.431 3.195 ( 0.935 0.000 2.545) 2.712 3.289 ( -1.233 0.000 2.730) 2.995 3.327 ( 2.067 0.000 -1.714) 2.686 3.345 ( 1.991 0.000 -2.254) 3.007 3.397 ( 0.225 0.000 -0.686) 0.722 3.416 ( 1.836 0.000 -0.426) 1.884 3.438 ( 2.734 0.000 3.293) 4.280 3.472 ( -0.197 0.000 -4.381) 4.385 3.531 ( -4.757 0.000 -0.547) 4.788 3.550 ( -1.434 0.000 -3.488) 3.771 3.562 ( 1.933 0.000 -1.419) 2.398 3.590 ( -3.481 0.000 -0.774) 3.566 3.618 ( 4.289 0.000 3.409) 5.478 3.652 ( 0.460 0.000 -0.896) 1.007 3.680 ( -3.221 0.000 2.858) 4.306 3.751 ( 1.634 0.000 1.708) 2.364 3.824 ( 0.372 0.000 -3.774) 3.792 3.874 ( -1.469 0.000 -0.563) 1.574 3.998 ( 4.028 0.000 -4.885) 6.331 3.999 ( -3.245 0.000 1.964) 3.793 4.072 ( 1.861 0.000 3.438) 3.909 4.141 ( -4.637 0.000 -2.865) 5.450 4.177 ( 3.695 0.000 1.592) 4.024 4.196 ( -0.881 0.000 2.423) 2.578 4.206 ( 3.256 0.000 1.200) 3.470 4.346 ( -1.048 0.000 0.140) 1.058 4.561 ( -0.250 0.000 1.410) 1.432 4.589 ( 0.368 0.000 -0.737) 0.824 4.606 ( -1.914 0.000 1.099) 2.207 4.625 ( 0.178 0.000 -0.829) 0.848 4.695 ( 1.228 0.000 -0.484) 1.320 4.752 ( -3.419 0.000 3.636) 4.991 4.784 ( -1.225 0.000 2.238) 2.551 4.819 ( 0.919 0.000 0.816) 1.229 4.848 ( 1.042 0.000 -0.824) 1.329 4.940 ( -2.467 0.000 -3.894) 4.610 4.944 ( 3.034 0.000 -0.986) 3.190 4.999 ( 1.764 0.000 -2.231) 2.844 5.037 ( -2.219 0.000 1.678) 2.782 5.117 ( -2.061 0.000 0.075) 2.063 5.147 ( -2.349 0.000 2.727) 3.600 5.283 ( -0.909 0.000 -0.629) 1.106 5.296 ( -1.950 0.000 0.592) 2.038 5.442 ( -2.384 0.000 -0.722) 2.491 5.678 ( 0.164 0.000 0.093) 0.189 5.687 ( -0.385 0.000 0.276) 0.474 5.940 ( 0.658 0.000 -0.115) 0.668 5.946 ( -0.016 0.000 0.140) 0.141 8.451 ( 0.701 0.000 -0.041) 0.702 8.455 ( 0.922 0.000 -0.024) 0.922 8.518 ( -0.533 0.000 0.118) 0.546 8.540 ( -0.300 0.000 -0.049) 0.304 9.373 ( 0.048 0.000 0.013) 0.049 9.387 ( -0.039 0.000 -0.040) 0.056 9.876 ( 0.099 0.000 -0.113) 0.150 9.883 ( -0.211 0.000 0.060) 0.219 10.205 ( 0.470 0.000 -0.898) 1.014 10.209 ( 0.693 0.000 0.273) 0.744 10.213 ( -1.195 0.000 -0.628) 1.350 10.243 ( -0.776 0.000 0.422) 0.883 10.343 ( 1.009 0.000 0.188) 1.026 10.354 ( 0.769 0.000 0.328) 0.836 10.566 ( -0.627 0.000 0.142) 0.643 10.571 ( -0.229 0.000 -0.107) 0.253 10.729 ( 1.078 0.000 0.041) 1.079 10.763 ( 0.942 0.000 -0.147) 0.953 10.884 ( 0.979 0.000 2.688) 2.861 11.149 ( 3.273 0.000 -2.397) 4.057 11.187 ( -0.049 0.000 0.200) 0.206 11.203 ( 0.446 0.000 -0.253) 0.513 11.502 ( -0.989 0.000 0.385) 1.061 11.503 ( -0.476 0.000 -0.279) 0.552 12.719 ( -0.106 0.000 0.044) 0.115 12.727 ( -0.123 0.000 -0.047) 0.131 12.765 ( -0.061 0.000 0.006) 0.062 12.769 ( -0.117 0.000 -0.005) 0.117 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -9.271 0.000 11.392) 14.688 0.862 ( -17.039 0.000 -10.765) 20.155 1.231 ( -2.602 0.000 -7.637) 8.068 1.398 ( -2.949 0.000 -5.791) 6.499 1.428 ( -4.220 0.000 -4.400) 6.097 1.506 ( 0.179 0.000 3.659) 3.664 1.573 ( -10.733 0.000 -4.625) 11.687 1.580 ( -9.092 0.000 -0.288) 9.096 1.767 ( -5.352 0.000 0.826) 5.416 1.816 ( -0.951 0.000 -0.774) 1.226 1.873 ( -2.304 0.000 -0.010) 2.304 1.883 ( 0.673 0.000 0.075) 0.677 1.900 ( 1.424 0.000 -4.327) 4.555 1.926 ( 7.145 0.000 0.640) 7.174 1.975 ( -3.261 0.000 -4.527) 5.580 1.991 ( -3.635 0.000 -2.326) 4.316 2.036 ( 4.624 0.000 1.308) 4.805 2.122 ( 3.900 0.000 -1.925) 4.350 2.139 ( -4.003 0.000 4.504) 6.026 2.164 ( 3.487 0.000 -0.975) 3.621 2.198 ( 3.356 0.000 2.715) 4.316 2.253 ( -1.350 0.000 6.199) 6.345 2.294 ( -0.225 0.000 6.233) 6.237 2.387 ( 2.441 0.000 1.035) 2.651 2.417 ( 2.672 0.000 3.431) 4.349 2.457 ( 6.522 0.000 0.350) 6.531 2.485 ( -4.530 0.000 1.299) 4.713 2.487 ( 1.756 0.000 1.941) 2.618 2.565 ( -2.082 0.000 1.833) 2.774 2.596 ( -7.465 0.000 -2.164) 7.772 2.719 ( 5.214 0.000 2.859) 5.947 2.728 ( 1.075 0.000 2.654) 2.864 2.738 ( -2.609 0.000 -2.995) 3.972 2.767 ( -0.993 0.000 0.024) 0.993 2.824 ( -0.937 0.000 -4.456) 4.554 2.867 ( -5.589 0.000 -3.398) 6.541 2.868 ( -1.500 0.000 -0.683) 1.649 2.924 ( 4.404 0.000 0.280) 4.413 2.976 ( -0.560 0.000 2.965) 3.017 2.997 ( 6.765 0.000 -1.152) 6.862 3.006 ( 0.768 0.000 -1.716) 1.880 3.071 ( -0.814 0.000 0.784) 1.130 3.118 ( 0.491 0.000 -1.834) 1.898 3.178 ( 4.305 0.000 1.795) 4.664 3.232 ( 0.970 0.000 1.412) 1.713 3.292 ( -1.184 0.000 1.106) 1.620 3.365 ( 1.427 0.000 -2.073) 2.517 3.377 ( 3.446 0.000 1.456) 3.741 3.394 ( 1.018 0.000 -1.875) 2.134 3.411 ( -2.503 0.000 -0.111) 2.506 3.438 ( -2.083 0.000 -2.008) 2.893 3.455 ( 2.221 0.000 -2.664) 3.468 3.471 ( -3.733 0.000 -2.319) 4.394 3.503 ( 1.542 0.000 1.534) 2.175 3.587 ( 2.421 0.000 -2.059) 3.178 3.591 ( 0.942 0.000 0.860) 1.275 3.659 ( 0.393 0.000 -0.064) 0.398 3.660 ( -1.877 0.000 1.550) 2.434 3.714 ( 3.757 0.000 1.883) 4.203 3.790 ( 0.565 0.000 2.661) 2.720 3.811 ( -3.833 0.000 -2.154) 4.396 3.846 ( 5.344 0.000 0.511) 5.369 3.965 ( -2.114 0.000 -1.058) 2.364 4.006 ( 3.293 0.000 -6.015) 6.858 4.049 ( -3.420 0.000 -0.635) 3.479 4.127 ( 0.249 0.000 0.415) 0.484 4.205 ( -0.891 0.000 4.290) 4.381 4.223 ( 2.151 0.000 0.172) 2.158 4.302 ( 3.671 0.000 3.223) 4.885 4.338 ( -0.624 0.000 -0.032) 0.624 4.520 ( -3.868 0.000 0.385) 3.887 4.582 ( 0.100 0.000 -0.374) 0.387 4.597 ( 0.361 0.000 0.566) 0.671 4.650 ( 2.121 0.000 1.224) 2.449 4.709 ( 0.356 0.000 -0.048) 0.359 4.728 ( -2.891 0.000 2.484) 3.812 4.755 ( -2.879 0.000 1.137) 3.095 4.841 ( -0.021 0.000 0.423) 0.423 4.857 ( 0.593 0.000 -0.097) 0.601 4.875 ( -1.260 0.000 -2.951) 3.209 4.967 ( 1.076 0.000 -2.468) 2.692 5.003 ( 0.842 0.000 -2.333) 2.481 5.021 ( -0.499 0.000 1.142) 1.246 5.093 ( -0.081 0.000 0.501) 0.508 5.161 ( -0.302 0.000 3.523) 3.536 5.260 ( -0.580 0.000 -1.008) 1.162 5.273 ( -1.220 0.000 -0.240) 1.243 5.414 ( 0.294 0.000 -1.864) 1.887 5.684 ( -0.128 0.000 0.066) 0.144 5.689 ( 0.688 0.000 0.481) 0.840 5.937 ( -1.001 0.000 -0.157) 1.013 5.942 ( -0.368 0.000 0.031) 0.369 8.456 ( -0.234 0.000 0.112) 0.260 8.462 ( -0.247 0.000 0.032) 0.249 8.523 ( 0.741 0.000 0.296) 0.798 8.535 ( -0.080 0.000 -0.234) 0.247 9.377 ( 0.294 0.000 0.169) 0.339 9.383 ( -0.227 0.000 -0.198) 0.301 9.878 ( -0.313 0.000 -0.150) 0.347 9.881 ( 0.435 0.000 0.086) 0.444 10.183 ( -0.820 0.000 -0.512) 0.966 10.205 ( 0.508 0.000 -0.814) 0.960 10.233 ( -0.712 0.000 -0.017) 0.712 10.238 ( 1.378 0.000 0.355) 1.423 10.355 ( -1.017 0.000 0.147) 1.028 10.360 ( 0.394 0.000 0.611) 0.727 10.564 ( 0.300 0.000 0.059) 0.306 10.573 ( 0.643 0.000 -0.014) 0.644 10.738 ( -0.363 0.000 0.410) 0.547 10.755 ( -1.530 0.000 -0.507) 1.612 10.907 ( -1.444 0.000 3.367) 3.663 11.181 ( 2.891 0.000 -1.913) 3.467 11.185 ( -0.411 0.000 0.112) 0.426 11.204 ( 0.027 0.000 -0.259) 0.261 11.496 ( 0.160 0.000 0.064) 0.173 11.519 ( 2.245 0.000 0.230) 2.257 12.721 ( 0.191 0.000 0.097) 0.214 12.726 ( 0.085 0.000 -0.094) 0.126 12.766 ( 0.166 0.000 0.057) 0.175 12.767 ( 0.028 0.000 -0.051) 0.058 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -17.290 0.000 -4.547) 17.878 0.570 ( -14.179 0.000 11.830) 18.466 1.112 ( -4.673 0.000 -1.642) 4.953 1.125 ( -25.981 0.000 3.511) 26.217 1.324 ( -10.374 0.000 -0.481) 10.385 1.405 ( -1.922 0.000 -2.250) 2.959 1.457 ( -3.960 0.000 -1.197) 4.137 1.500 ( -6.308 0.000 1.985) 6.613 1.696 ( -3.671 0.000 -1.171) 3.853 1.752 ( -2.760 0.000 2.128) 3.486 1.791 ( -3.306 0.000 -2.093) 3.913 1.846 ( -2.509 0.000 -2.196) 3.335 1.881 ( 0.762 0.000 -1.619) 1.789 1.952 ( -1.277 0.000 -6.034) 6.168 1.955 ( 3.289 0.000 -4.289) 5.405 1.996 ( 0.244 0.000 -0.465) 0.525 2.078 ( -4.794 0.000 3.196) 5.762 2.120 ( 2.155 0.000 -2.622) 3.394 2.159 ( 2.682 0.000 3.884) 4.720 2.211 ( 1.142 0.000 -0.168) 1.154 2.280 ( -0.584 0.000 3.885) 3.928 2.301 ( 5.230 0.000 2.273) 5.702 2.337 ( 0.458 0.000 -0.208) 0.503 2.387 ( -4.714 0.000 2.138) 5.176 2.388 ( -4.268 0.000 0.480) 4.295 2.470 ( -1.818 0.000 -1.014) 2.081 2.501 ( -0.056 0.000 0.285) 0.291 2.520 ( -0.223 0.000 -1.075) 1.098 2.549 ( 1.816 0.000 3.280) 3.749 2.623 ( 7.307 0.000 3.341) 8.035 2.650 ( -1.871 0.000 -3.356) 3.843 2.711 ( 0.978 0.000 -0.846) 1.293 2.774 ( -1.674 0.000 -2.409) 2.933 2.785 ( 0.875 0.000 -0.596) 1.059 2.804 ( -0.462 0.000 3.608) 3.638 2.841 ( 1.171 0.000 2.924) 3.150 2.872 ( 4.114 0.000 3.381) 5.325 2.946 ( 1.687 0.000 -1.838) 2.495 3.032 ( 1.811 0.000 1.626) 2.434 3.035 ( 1.732 0.000 0.293) 1.757 3.062 ( -0.654 0.000 -1.168) 1.339 3.094 ( 4.825 0.000 -1.083) 4.945 3.134 ( 0.834 0.000 2.185) 2.339 3.215 ( -4.052 0.000 -2.616) 4.823 3.232 ( 1.995 0.000 -0.971) 2.219 3.271 ( 0.753 0.000 -0.529) 0.920 3.333 ( -3.424 0.000 -3.446) 4.858 3.335 ( -4.675 0.000 0.199) 4.679 3.386 ( 3.521 0.000 -2.454) 4.291 3.404 ( -0.137 0.000 -0.931) 0.941 3.451 ( 2.273 0.000 -2.357) 3.274 3.469 ( 2.674 0.000 -2.017) 3.349 3.479 ( 2.681 0.000 1.160) 2.921 3.540 ( -0.255 0.000 2.034) 2.050 3.600 ( -1.650 0.000 2.961) 3.390 3.605 ( 1.885 0.000 2.521) 3.148 3.636 ( -1.693 0.000 -1.369) 2.177 3.648 ( 0.913 0.000 -3.803) 3.911 3.740 ( -0.976 0.000 -1.886) 2.123 3.760 ( 0.707 0.000 -1.427) 1.592 3.868 ( 3.496 0.000 4.592) 5.771 3.906 ( -1.535 0.000 -2.658) 3.070 3.928 ( 3.153 0.000 -1.442) 3.467 4.011 ( 4.505 0.000 -6.796) 8.153 4.020 ( -1.828 0.000 1.449) 2.332 4.096 ( -3.097 0.000 0.682) 3.171 4.225 ( -0.759 0.000 1.488) 1.671 4.270 ( 2.676 0.000 1.263) 2.959 4.289 ( -4.299 0.000 -1.312) 4.495 4.351 ( 0.681 0.000 -0.289) 0.739 4.491 ( -1.303 0.000 3.229) 3.482 4.593 ( -0.450 0.000 1.576) 1.640 4.626 ( 1.456 0.000 0.748) 1.637 4.687 ( -2.193 0.000 3.662) 4.269 4.712 ( 0.775 0.000 0.828) 1.134 4.730 ( 3.894 0.000 -0.916) 4.000 4.732 ( -1.039 0.000 1.017) 1.454 4.812 ( -1.266 0.000 -3.202) 3.443 4.850 ( -1.001 0.000 0.126) 1.009 4.866 ( 0.296 0.000 0.619) 0.686 4.946 ( -0.186 0.000 -1.897) 1.906 4.983 ( -0.079 0.000 -2.946) 2.947 5.042 ( 1.323 0.000 1.127) 1.738 5.128 ( 2.162 0.000 2.945) 3.654 5.197 ( 0.028 0.000 6.453) 6.453 5.249 ( -1.257 0.000 0.099) 1.261 5.250 ( 0.180 0.000 -0.634) 0.659 5.411 ( 1.227 0.000 -1.701) 2.097 5.685 ( 0.380 0.000 -0.202) 0.430 5.703 ( 0.397 0.000 0.428) 0.584 5.911 ( -1.844 0.000 -0.149) 1.850 5.932 ( -0.778 0.000 0.494) 0.922 8.448 ( -1.111 0.000 -0.321) 1.156 8.449 ( -0.557 0.000 -0.057) 0.560 8.535 ( 0.160 0.000 -0.078) 0.178 8.541 ( 0.973 0.000 0.227) 0.999 9.377 ( -0.211 0.000 -0.199) 0.290 9.385 ( 0.448 0.000 0.187) 0.486 9.872 ( -0.176 0.000 -0.159) 0.238 9.890 ( 0.482 0.000 0.120) 0.496 10.177 ( 0.353 0.000 -0.027) 0.354 10.204 ( -0.326 0.000 -0.214) 0.390 10.223 ( 0.163 0.000 -0.515) 0.540 10.260 ( 1.076 0.000 0.156) 1.088 10.330 ( -1.642 0.000 -0.108) 1.645 10.359 ( -0.903 0.000 0.088) 0.907 10.572 ( 0.541 0.000 -0.022) 0.542 10.591 ( 1.436 0.000 0.096) 1.439 10.713 ( -2.564 0.000 -0.469) 2.606 10.723 ( -1.786 0.000 0.386) 1.827 10.901 ( -2.735 0.000 3.039) 4.089 11.177 ( -0.533 0.000 0.110) 0.544 11.197 ( 0.546 0.000 -1.284) 1.395 11.204 ( 1.513 0.000 -3.665) 3.965 11.508 ( 1.160 0.000 -0.047) 1.161 11.571 ( 3.531 0.000 -0.089) 3.532 12.726 ( 0.319 0.000 0.088) 0.331 12.728 ( 0.290 0.000 -0.105) 0.309 12.768 ( 0.146 0.000 -0.064) 0.160 12.770 ( 0.240 0.000 0.059) 0.247 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -5.954 0.000 22.206) 22.991 0.425 ( -15.916 0.000 13.135) 20.636 0.725 ( -28.713 0.000 17.847) 33.808 1.068 ( -0.509 0.000 0.999) 1.121 1.198 ( -4.052 0.000 3.637) 5.444 1.347 ( -11.780 0.000 4.072) 12.464 1.367 ( -4.605 0.000 3.975) 6.084 1.395 ( -0.070 0.000 -6.527) 6.527 1.678 ( 0.400 0.000 1.858) 1.900 1.749 ( -3.396 0.000 -1.937) 3.910 1.763 ( 0.636 0.000 3.229) 3.291 1.765 ( -1.108 0.000 -1.736) 2.059 1.796 ( -7.184 0.000 -6.896) 9.958 1.930 ( 4.476 0.000 1.026) 4.592 1.942 ( -3.998 0.000 0.322) 4.011 1.980 ( -1.849 0.000 -3.223) 3.715 2.057 ( 2.583 0.000 0.559) 2.643 2.123 ( -0.936 0.000 0.012) 0.936 2.190 ( 1.703 0.000 -4.007) 4.354 2.206 ( -2.903 0.000 3.847) 4.819 2.282 ( 0.098 0.000 -2.374) 2.376 2.328 ( -2.090 0.000 6.218) 6.559 2.335 ( 0.777 0.000 -1.551) 1.734 2.381 ( -1.166 0.000 2.856) 3.085 2.408 ( 1.033 0.000 -0.635) 1.212 2.445 ( -4.975 0.000 0.438) 4.995 2.445 ( 2.241 0.000 -0.972) 2.443 2.522 ( 0.927 0.000 -0.870) 1.271 2.608 ( 2.946 0.000 -1.410) 3.266 2.631 ( 1.917 0.000 -2.596) 3.227 2.682 ( 1.396 0.000 -0.809) 1.613 2.727 ( 0.573 0.000 -3.223) 3.274 2.765 ( -2.474 0.000 -0.130) 2.477 2.812 ( 3.438 0.000 2.190) 4.076 2.885 ( 4.613 0.000 3.259) 5.648 2.901 ( 3.656 0.000 1.842) 4.094 2.945 ( 0.069 0.000 -5.100) 5.101 2.983 ( 3.594 0.000 2.887) 4.610 2.999 ( -1.514 0.000 -2.157) 2.635 3.040 ( -0.004 0.000 1.312) 1.312 3.079 ( -4.984 0.000 -3.679) 6.195 3.082 ( 1.419 0.000 0.048) 1.420 3.164 ( 1.959 0.000 -1.540) 2.492 3.165 ( -1.025 0.000 4.216) 4.339 3.212 ( -2.191 0.000 -2.605) 3.404 3.219 ( -5.716 0.000 -1.398) 5.885 3.288 ( 0.507 0.000 -0.631) 0.809 3.304 ( 1.714 0.000 -2.011) 2.642 3.403 ( 0.610 0.000 0.451) 0.759 3.412 ( 1.624 0.000 -0.940) 1.876 3.440 ( -1.175 0.000 -0.582) 1.312 3.462 ( 0.660 0.000 -1.916) 2.026 3.517 ( -1.942 0.000 -3.841) 4.304 3.548 ( -0.375 0.000 0.346) 0.510 3.587 ( -2.384 0.000 2.096) 3.174 3.630 ( 1.903 0.000 -6.718) 6.983 3.633 ( 5.213 0.000 -0.592) 5.247 3.676 ( -0.088 0.000 5.193) 5.194 3.732 ( 1.778 0.000 -2.282) 2.892 3.746 ( 1.405 0.000 -1.527) 2.075 3.876 ( -3.447 0.000 -1.896) 3.934 3.882 ( 0.438 0.000 -2.046) 2.092 3.966 ( 2.501 0.000 -3.373) 4.199 3.992 ( -3.717 0.000 2.376) 4.412 4.035 ( 4.225 0.000 2.409) 4.863 4.071 ( -0.757 0.000 -1.066) 1.307 4.157 ( -5.092 0.000 -2.087) 5.503 4.271 ( 1.361 0.000 1.477) 2.009 4.308 ( 0.483 0.000 -0.911) 1.031 4.355 ( 1.004 0.000 0.530) 1.135 4.507 ( -0.980 0.000 2.286) 2.488 4.581 ( -1.912 0.000 1.711) 2.566 4.611 ( -2.464 0.000 -0.908) 2.626 4.703 ( -0.952 0.000 2.027) 2.240 4.724 ( -0.860 0.000 0.618) 1.059 4.744 ( 1.139 0.000 -2.554) 2.796 4.755 ( -0.252 0.000 1.424) 1.446 4.760 ( -0.466 0.000 -2.630) 2.671 4.831 ( -1.021 0.000 -0.000) 1.021 4.872 ( -0.609 0.000 -0.464) 0.765 4.949 ( 1.275 0.000 0.728) 1.468 4.969 ( 1.677 0.000 -1.853) 2.499 5.084 ( 1.022 0.000 3.552) 3.696 5.173 ( 0.959 0.000 0.308) 1.007 5.228 ( -0.383 0.000 0.409) 0.560 5.255 ( 0.727 0.000 0.178) 0.748 5.426 ( 1.665 0.000 -0.001) 1.665 5.448 ( 18.102 0.000 22.840) 29.144 5.694 ( 0.806 0.000 -0.121) 0.816 5.707 ( -0.192 0.000 0.032) 0.195 5.881 ( -1.515 0.000 0.191) 1.527 5.946 ( 2.313 0.000 3.200) 3.948 8.427 ( -0.731 0.000 -0.306) 0.792 8.439 ( -0.264 0.000 -0.329) 0.421 8.537 ( 0.098 0.000 -0.042) 0.107 8.555 ( 0.509 0.000 0.071) 0.514 9.374 ( -0.054 0.000 -0.099) 0.113 9.391 ( 0.012 0.000 -0.270) 0.270 9.870 ( 0.054 0.000 0.030) 0.062 9.897 ( 0.226 0.000 -0.031) 0.228 10.188 ( 0.707 0.000 -0.019) 0.707 10.190 ( -0.788 0.000 -0.091) 0.794 10.230 ( 0.578 0.000 -0.072) 0.583 10.278 ( 0.927 0.000 0.105) 0.933 10.306 ( -0.934 0.000 -0.165) 0.949 10.336 ( -1.463 0.000 -0.367) 1.508 10.579 ( 0.275 0.000 -0.027) 0.276 10.617 ( 1.469 0.000 -0.117) 1.474 10.673 ( -1.652 0.000 -0.153) 1.659 10.690 ( -2.263 0.000 0.050) 2.263 10.874 ( -3.075 0.000 1.647) 3.488 11.075 ( -10.943 0.000 -17.907) 20.986 11.171 ( -0.354 0.000 0.143) 0.382 11.195 ( -0.181 0.000 -0.113) 0.213 11.529 ( 1.133 0.000 0.060) 1.134 11.617 ( 2.190 0.000 -1.083) 2.443 12.731 ( 0.188 0.000 0.039) 0.191 12.733 ( 0.300 0.000 -0.096) 0.315 12.771 ( 0.157 0.000 -0.028) 0.160 12.774 ( 0.135 0.000 0.032) 0.139 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.909 7.966 16.058) 17.948 0.693 ( 0.273 14.768 17.352) 22.788 1.003 ( 0.196 -2.682 14.201) 14.453 1.048 ( -3.131 8.944 9.126) 13.156 1.155 ( 4.954 7.634 5.963) 10.880 1.234 ( -0.995 -4.296 9.988) 10.918 1.318 ( -0.949 -2.786 2.076) 3.602 1.501 ( 0.710 12.036 -7.984) 14.461 1.659 ( 0.750 1.460 -2.945) 3.371 1.682 ( 0.048 2.246 -5.282) 5.740 1.738 ( 1.794 1.895 3.074) 4.032 1.801 ( 0.727 -0.312 1.909) 2.066 1.820 ( -0.221 -1.488 2.246) 2.703 1.868 ( 0.286 0.795 1.435) 1.666 1.971 ( 0.800 1.934 3.917) 4.441 2.018 ( 1.940 -0.109 2.173) 2.915 2.064 ( -0.153 3.768 -0.178) 3.776 2.130 ( 0.304 -5.747 1.762) 6.019 2.187 ( 3.792 0.100 -1.538) 4.093 2.214 ( 1.784 2.287 -3.536) 4.574 2.244 ( -2.053 0.532 -0.904) 2.306 2.281 ( -2.848 -2.381 -0.748) 3.786 2.334 ( -1.520 -1.857 1.031) 2.612 2.389 ( -1.437 0.874 -0.956) 1.935 2.397 ( 0.326 0.918 0.541) 1.114 2.417 ( -1.798 0.827 1.278) 2.356 2.469 ( 0.036 -4.700 -2.293) 5.230 2.517 ( -0.075 -1.691 -0.409) 1.741 2.556 ( 0.577 3.761 4.394) 5.813 2.620 ( -1.990 -12.485 0.037) 12.643 2.668 ( 3.861 -7.538 0.126) 8.470 2.751 ( 0.865 -1.100 -1.557) 2.094 2.807 ( 2.165 1.508 -1.329) 2.955 2.823 ( -1.317 1.963 0.082) 2.365 2.841 ( -0.102 3.708 -3.838) 5.338 2.883 ( -1.624 -0.478 -3.803) 4.163 2.910 ( -3.800 -3.870 -0.819) 5.485 2.918 ( -0.535 0.791 -0.759) 1.220 2.967 ( -3.656 -0.101 -2.096) 4.216 2.989 ( -0.935 -2.356 -1.047) 2.742 3.074 ( 4.358 -4.092 0.880) 6.043 3.078 ( -0.668 0.510 -1.198) 1.463 3.118 ( -2.716 -2.555 -1.116) 3.892 3.133 ( -1.012 -3.241 0.416) 3.421 3.157 ( -1.189 -0.991 -1.563) 2.199 3.193 ( 1.180 -0.669 1.924) 2.354 3.253 ( 1.486 -0.237 -2.507) 2.924 3.270 ( 1.237 0.171 -1.455) 1.918 3.339 ( 0.392 -3.212 -4.012) 5.154 3.392 ( 1.154 0.297 -0.377) 1.250 3.409 ( -0.616 -3.195 0.608) 3.311 3.418 ( 1.431 -2.687 -1.620) 3.448 3.533 ( -2.311 0.410 -1.049) 2.571 3.536 ( 0.492 -1.179 -2.110) 2.466 3.557 ( -0.472 0.484 -1.368) 1.526 3.597 ( 1.346 -1.371 -1.779) 2.618 3.686 ( 0.668 0.536 1.365) 1.611 3.739 ( 0.022 5.658 0.016) 5.658 3.767 ( 1.302 -2.100 3.449) 4.243 3.819 ( 4.733 0.190 -0.504) 4.763 3.861 ( 1.711 0.964 -1.309) 2.360 3.887 ( 0.259 1.540 2.445) 2.901 3.930 ( -1.060 1.717 -0.002) 2.017 4.050 ( -3.082 2.160 1.126) 3.928 4.082 ( -0.680 3.159 -1.490) 3.559 4.113 ( 0.015 1.084 1.277) 1.675 4.196 ( 4.331 1.717 -2.146) 5.129 4.277 ( -0.369 -0.395 -2.047) 2.117 4.338 ( -2.192 4.620 0.840) 5.182 4.380 ( -0.793 9.171 -0.665) 9.229 4.445 ( -0.263 -4.999 2.006) 5.393 4.595 ( 1.043 1.862 0.558) 2.206 4.637 ( -2.435 2.740 2.246) 4.298 4.652 ( -0.686 0.363 -0.525) 0.937 4.685 ( -1.149 1.148 -3.590) 3.940 4.715 ( -0.797 -2.559 0.467) 2.720 4.744 ( -0.583 -0.883 1.244) 1.634 4.810 ( 0.876 1.556 0.229) 1.800 4.845 ( 0.052 -0.734 -1.341) 1.530 4.864 ( 0.829 2.721 2.229) 3.613 4.966 ( 1.143 -2.124 -1.006) 2.614 4.989 ( 1.127 0.265 1.385) 1.805 5.032 ( -0.447 -6.943 3.012) 7.581 5.134 ( -0.475 -5.081 0.489) 5.126 5.216 ( -0.196 -1.740 2.790) 3.293 5.268 ( -0.622 -6.853 6.477) 9.450 5.351 ( -1.725 -3.822 4.785) 6.363 5.434 ( 0.834 -2.956 1.079) 3.256 5.740 ( 0.113 2.894 0.971) 3.055 5.831 ( 2.394 -0.942 -0.587) 2.639 5.876 ( -1.485 0.617 -0.171) 1.617 5.934 ( -2.340 -3.731 0.898) 4.494 8.439 ( -0.242 1.846 -0.088) 1.864 8.465 ( 0.003 1.830 -0.841) 2.014 8.520 ( 0.162 -1.343 0.481) 1.435 8.543 ( -0.148 -1.543 -0.072) 1.552 9.435 ( 0.050 6.578 0.046) 6.578 9.445 ( -0.003 7.007 -0.176) 7.009 9.783 ( 0.083 -9.613 0.262) 9.617 9.809 ( -0.140 -9.411 -0.286) 9.416 10.146 ( 0.129 0.082 0.159) 0.220 10.219 ( 1.041 1.294 -0.981) 1.929 10.224 ( -0.711 0.148 -0.126) 0.737 10.306 ( -0.439 -1.172 -0.717) 1.442 10.401 ( 0.475 6.699 0.039) 6.716 10.432 ( -0.935 6.374 -1.332) 6.578 10.565 ( 0.348 -1.917 0.295) 1.971 10.594 ( 0.390 -3.157 -0.342) 3.199 10.682 ( 0.412 2.364 0.083) 2.401 10.699 ( -0.371 2.850 -0.428) 2.906 10.776 ( 2.727 -1.180 0.421) 3.001 10.812 ( -1.849 -2.212 -0.359) 2.906 11.248 ( -0.035 5.858 0.399) 5.871 11.487 ( -0.465 -4.890 0.615) 4.950 11.534 ( 1.000 15.767 -15.039) 21.812 11.645 ( -0.071 1.637 -2.939) 3.365 12.739 ( -0.002 0.617 -0.021) 0.617 12.741 ( 0.044 0.601 -0.095) 0.610 12.767 ( 0.042 -0.545 0.001) 0.547 12.769 ( -0.047 -0.637 -0.010) 0.638 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 8.643 7.695 10.603) 15.695 0.806 ( 2.715 19.252 7.740) 20.927 1.128 ( 4.182 -0.648 7.780) 8.856 1.225 ( 8.872 -8.085 9.274) 15.168 1.315 ( 4.057 -4.601 9.231) 11.084 1.344 ( 2.885 4.586 9.864) 11.254 1.449 ( 8.162 3.793 12.041) 15.033 1.467 ( 3.906 10.090 -7.043) 12.910 1.625 ( -0.555 -0.759 -3.681) 3.799 1.680 ( 4.387 3.007 -3.983) 6.644 1.790 ( -0.488 0.199 0.242) 0.580 1.835 ( 2.156 -1.442 3.649) 4.477 1.844 ( 3.600 -0.685 -1.179) 3.850 1.942 ( 2.981 0.405 1.941) 3.580 1.993 ( -0.257 3.166 1.816) 3.658 2.042 ( -0.503 -3.935 1.084) 4.113 2.090 ( 1.859 3.531 -2.357) 4.634 2.120 ( -1.534 0.437 0.416) 1.648 2.185 ( -2.543 -1.618 -2.240) 3.755 2.218 ( 2.092 -2.533 -0.839) 3.391 2.247 ( -3.052 1.444 0.958) 3.510 2.266 ( 2.668 2.485 0.933) 3.763 2.302 ( -0.232 -4.554 0.261) 4.567 2.370 ( -0.952 0.151 2.797) 2.958 2.390 ( -1.106 -1.174 -2.264) 2.780 2.418 ( -1.072 -0.637 -1.532) 1.975 2.456 ( 0.506 -1.407 -1.907) 2.423 2.496 ( -1.969 -1.361 -2.758) 3.651 2.543 ( 0.873 1.267 1.374) 2.063 2.618 ( -0.326 -1.563 0.671) 1.732 2.684 ( -5.440 -0.184 -3.575) 6.512 2.730 ( 0.763 -0.309 -1.060) 1.342 2.740 ( 1.673 0.337 -0.363) 1.745 2.782 ( -1.578 6.498 -1.518) 6.857 2.834 ( -2.138 1.409 1.623) 3.032 2.850 ( -3.294 -3.104 -0.527) 4.557 2.872 ( -1.993 -1.203 0.582) 2.399 2.912 ( 4.488 0.482 -5.343) 6.995 2.952 ( 1.242 -6.992 0.597) 7.127 2.989 ( 1.539 3.732 0.801) 4.116 3.042 ( -1.807 0.284 -0.765) 1.983 3.044 ( -0.790 -2.542 -3.131) 4.110 3.120 ( -0.326 -4.509 0.226) 4.527 3.126 ( 0.822 -4.389 -1.830) 4.826 3.170 ( 2.482 -5.412 -0.665) 5.991 3.210 ( 0.831 -2.914 0.576) 3.085 3.262 ( 2.210 -0.690 -1.630) 2.832 3.313 ( 3.489 0.274 -0.328) 3.515 3.340 ( 2.103 -1.372 -2.859) 3.806 3.378 ( -1.011 -0.364 0.997) 1.466 3.431 ( 2.344 -4.351 -1.997) 5.330 3.465 ( 1.087 -1.269 -1.181) 2.047 3.482 ( -0.064 1.951 -1.009) 2.198 3.497 ( -0.204 -5.001 -2.041) 5.405 3.539 ( -0.662 1.280 -0.600) 1.561 3.610 ( 0.621 -3.679 -0.415) 3.754 3.692 ( -1.583 0.664 0.764) 1.878 3.740 ( 0.367 4.608 -0.417) 4.641 3.787 ( -1.472 -1.377 -0.286) 2.036 3.817 ( -3.956 1.708 0.819) 4.386 3.864 ( -1.775 -0.341 -0.759) 1.961 3.904 ( 0.433 0.736 0.612) 1.050 3.928 ( -0.869 1.332 0.605) 1.701 4.016 ( 0.139 1.227 -0.628) 1.385 4.070 ( 1.016 5.660 0.946) 5.827 4.126 ( -0.952 0.751 -0.009) 1.212 4.223 ( -0.230 2.506 -1.447) 2.903 4.247 ( 1.291 1.228 -2.916) 3.418 4.318 ( -1.703 -0.314 0.147) 1.738 4.397 ( 3.239 9.979 0.812) 10.523 4.464 ( 0.020 -3.268 1.951) 3.806 4.596 ( -0.272 0.539 -1.999) 2.088 4.633 ( 0.166 0.830 0.282) 0.892 4.652 ( 0.053 3.849 -0.575) 3.892 4.658 ( 0.998 1.761 1.264) 2.387 4.708 ( -0.290 -2.398 0.556) 2.479 4.758 ( -0.745 -2.280 2.544) 3.496 4.823 ( 0.596 1.125 0.122) 1.279 4.835 ( 0.769 -0.632 -1.845) 2.096 4.890 ( 0.154 3.426 1.592) 3.781 4.968 ( 0.507 -3.104 -1.615) 3.536 5.013 ( 0.405 -0.640 1.306) 1.510 5.043 ( -1.182 -4.333 1.815) 4.844 5.117 ( -1.577 -4.604 0.086) 4.867 5.226 ( -2.022 -0.991 2.901) 3.673 5.298 ( -1.359 -5.167 3.751) 6.529 5.340 ( -3.605 -2.371 3.269) 5.413 5.452 ( -0.510 -4.634 1.677) 4.954 5.746 ( -0.764 3.738 1.041) 3.955 5.809 ( -3.928 4.532 -1.020) 6.083 5.868 ( 0.918 -2.915 0.915) 3.190 5.908 ( -0.209 -1.574 0.165) 1.596 8.433 ( -0.110 1.675 -0.127) 1.683 8.459 ( 0.259 1.768 -0.517) 1.861 8.525 ( -0.276 -1.543 0.379) 1.613 8.537 ( -0.298 -1.308 -0.058) 1.342 9.439 ( 0.166 6.530 0.022) 6.532 9.445 ( 0.134 6.907 -0.183) 6.911 9.788 ( 0.131 -9.359 0.415) 9.369 9.801 ( -0.315 -9.271 -0.378) 9.284 10.152 ( 0.192 0.189 0.165) 0.315 10.190 ( -0.749 2.377 -1.178) 2.757 10.236 ( -0.387 -1.987 1.019) 2.266 10.276 ( -1.754 -1.273 -0.716) 2.282 10.401 ( -0.140 6.998 -0.320) 7.007 10.432 ( 1.592 6.379 -0.184) 6.578 10.569 ( -0.241 -1.770 0.153) 1.793 10.587 ( -0.595 -1.635 -0.573) 1.831 10.697 ( 1.031 1.909 -0.336) 2.195 10.718 ( 2.941 3.525 0.185) 4.594 10.790 ( 0.372 -1.987 -0.945) 2.231 10.898 ( 8.698 -6.039 -0.211) 10.591 11.252 ( -0.027 6.248 0.690) 6.287 11.384 ( -3.563 11.770 -6.654) 13.982 11.498 ( -0.524 -3.055 0.020) 3.100 11.590 ( -2.866 -0.511 -3.018) 4.193 12.736 ( -0.275 0.659 -0.074) 0.718 12.740 ( -0.080 0.637 -0.057) 0.644 12.766 ( -0.214 -0.639 -0.018) 0.674 12.768 ( -0.057 -0.554 0.025) 0.557 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -0.690 18.332 6.822) 19.572 1.042 ( 13.035 0.445 6.810) 14.713 1.292 ( 6.170 0.211 3.687) 7.190 1.358 ( 3.603 -0.835 -1.365) 3.942 1.407 ( 2.408 1.951 -5.507) 6.319 1.483 ( 7.104 -3.744 5.345) 9.646 1.550 ( 5.541 -1.424 -1.332) 5.875 1.609 ( -0.425 0.479 3.088) 3.153 1.673 ( 3.630 -0.772 8.274) 9.068 1.722 ( 5.107 -1.237 1.616) 5.497 1.812 ( 1.841 -1.638 3.315) 4.131 1.852 ( -0.834 -3.658 -4.038) 5.512 1.891 ( -0.682 -1.194 1.204) 1.827 1.936 ( -1.448 -1.941 0.172) 2.428 1.984 ( -2.255 -0.201 -1.715) 2.840 2.040 ( -0.945 2.684 3.096) 4.206 2.083 ( 3.437 0.552 -2.994) 4.591 2.119 ( -2.811 0.135 -3.172) 4.241 2.170 ( -0.978 -0.510 -0.193) 1.120 2.187 ( -0.427 3.345 -0.584) 3.422 2.229 ( -1.889 -1.089 0.548) 2.248 2.262 ( -2.273 3.306 -0.506) 4.044 2.289 ( 0.067 0.422 2.090) 2.133 2.339 ( 0.920 2.404 -4.708) 5.366 2.360 ( 0.669 1.485 -1.840) 2.458 2.419 ( -0.819 -1.213 0.516) 1.552 2.449 ( 4.824 1.180 0.828) 5.035 2.467 ( -0.552 1.076 1.676) 2.066 2.585 ( -1.362 1.218 1.084) 2.124 2.639 ( 1.448 -3.692 -1.948) 4.418 2.661 ( -2.960 -0.923 0.232) 3.109 2.699 ( 2.630 -0.200 4.115) 4.888 2.721 ( -1.297 2.494 -3.395) 4.408 2.754 ( -1.005 3.370 -0.644) 3.576 2.828 ( 0.889 -1.197 1.480) 2.101 2.861 ( 1.641 2.709 1.713) 3.601 2.892 ( 1.609 -2.476 -2.898) 4.137 2.899 ( 2.246 0.729 1.313) 2.702 2.971 ( -0.883 1.059 -3.062) 3.359 2.973 ( 0.279 1.863 -0.957) 2.113 3.032 ( 1.165 -0.554 0.990) 1.626 3.060 ( 1.417 -0.846 -1.953) 2.557 3.108 ( 0.003 -1.511 1.215) 1.938 3.144 ( 1.898 -4.063 -0.794) 4.554 3.194 ( 0.167 -4.867 -0.032) 4.870 3.259 ( 2.870 -4.516 0.961) 5.436 3.280 ( 1.986 -2.946 -1.670) 3.925 3.317 ( -0.546 -4.194 -1.520) 4.494 3.347 ( 0.239 0.202 0.314) 0.443 3.402 ( 0.674 -0.178 -1.849) 1.976 3.416 ( -0.262 2.459 -1.928) 3.136 3.449 ( 2.037 -6.283 -0.037) 6.605 3.475 ( 0.937 -2.254 -1.206) 2.723 3.535 ( 2.691 -2.593 -1.310) 3.960 3.540 ( 0.604 -0.259 0.906) 1.119 3.601 ( -1.987 -1.413 0.073) 2.439 3.654 ( -2.069 -0.228 -1.127) 2.367 3.705 ( -3.436 2.360 -1.572) 4.455 3.736 ( -2.756 1.494 -2.094) 3.770 3.779 ( -1.756 2.753 4.059) 5.209 3.833 ( 0.135 -1.765 -2.958) 3.448 3.856 ( -3.900 -0.191 -2.386) 4.576 3.926 ( 0.545 0.049 1.437) 1.538 4.036 ( -1.200 -3.451 0.855) 3.753 4.091 ( -1.009 3.113 -0.159) 3.277 4.103 ( 0.575 2.176 1.731) 2.839 4.173 ( -2.133 1.044 -1.038) 2.592 4.248 ( -1.746 0.238 -0.835) 1.950 4.319 ( 2.725 8.007 0.469) 8.471 4.449 ( 1.800 7.836 -0.834) 8.083 4.501 ( 2.254 -1.757 3.081) 4.202 4.586 ( 0.722 0.086 -0.975) 1.216 4.633 ( 0.119 -0.452 -0.613) 0.770 4.645 ( -1.070 3.901 0.026) 4.046 4.684 ( 0.470 0.588 -0.057) 0.755 4.728 ( 1.166 -1.867 2.285) 3.173 4.755 ( -2.178 -1.360 2.932) 3.897 4.831 ( -0.296 1.326 1.056) 1.721 4.837 ( 1.117 -0.653 -1.426) 1.925 4.912 ( 1.683 1.502 0.220) 2.267 4.954 ( -0.258 -3.311 -1.894) 3.823 5.018 ( -0.187 -0.252 -0.994) 1.043 5.029 ( -1.725 -2.239 1.267) 3.098 5.095 ( -1.319 -3.818 0.302) 4.051 5.196 ( -4.185 -0.065 2.453) 4.851 5.287 ( -2.743 -4.405 2.312) 5.681 5.320 ( -0.581 2.375 0.170) 2.451 5.442 ( -1.790 -4.218 0.576) 4.618 5.733 ( -1.329 4.333 0.562) 4.567 5.757 ( -1.419 5.149 -0.624) 5.377 5.889 ( 0.904 -3.299 0.331) 3.436 5.915 ( 0.251 -2.549 0.394) 2.592 8.438 ( 0.653 0.848 0.012) 1.070 8.462 ( 0.544 1.509 -0.455) 1.667 8.516 ( -0.860 -1.528 0.110) 1.757 8.536 ( -0.097 -0.999 0.099) 1.008 9.438 ( -0.094 6.759 -0.080) 6.760 9.448 ( 0.226 6.716 0.005) 6.719 9.792 ( -0.154 -8.941 -0.120) 8.943 9.795 ( -0.001 -9.243 0.157) 9.244 10.154 ( 0.227 -0.718 0.023) 0.753 10.183 ( 0.362 0.998 -0.426) 1.143 10.221 ( -1.622 -2.179 -0.231) 2.726 10.248 ( -1.236 -1.072 0.146) 1.642 10.407 ( 0.876 6.850 0.158) 6.908 10.452 ( 1.003 6.507 -0.263) 6.589 10.561 ( -0.635 -1.653 0.060) 1.771 10.574 ( -0.441 -0.939 -0.251) 1.068 10.716 ( 1.520 1.350 -0.226) 2.046 10.776 ( 3.331 4.741 0.047) 5.794 10.810 ( 2.108 -2.456 0.398) 3.261 11.018 ( 6.274 -6.618 -1.086) 9.183 11.258 ( -0.140 6.237 0.711) 6.279 11.293 ( -2.488 8.158 -2.511) 8.891 11.484 ( -1.458 -3.654 0.651) 3.988 11.515 ( -2.901 -2.599 -1.813) 4.296 12.730 ( -0.292 0.706 -0.027) 0.764 12.738 ( -0.150 0.735 -0.033) 0.751 12.761 ( -0.243 -0.642 -0.020) 0.687 12.766 ( -0.136 -0.507 0.009) 0.525 ======================= Grid point 45 (23/54) ======================= q-point: (-0.57 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -2.519 15.290 6.809) 16.926 1.208 ( -7.984 3.202 -2.489) 8.955 1.295 ( 2.327 -3.553 -6.499) 7.764 1.315 ( 4.255 -6.626 -5.333) 9.511 1.477 ( 6.156 6.624 -2.646) 9.422 1.547 ( -6.297 -2.171 -2.848) 7.244 1.602 ( 4.052 -8.571 -0.255) 9.484 1.637 ( -3.698 -7.674 -3.937) 9.384 1.665 ( 1.769 -0.944 5.453) 5.810 1.766 ( -2.689 0.244 -2.747) 3.852 1.833 ( -0.406 -3.213 -0.548) 3.285 1.867 ( 0.846 1.207 -0.152) 1.482 1.888 ( 1.077 -2.052 1.366) 2.690 1.933 ( 1.728 -1.070 3.552) 4.092 1.976 ( -1.337 -3.023 1.151) 3.500 2.037 ( 0.160 1.792 -1.338) 2.242 2.057 ( 1.881 1.631 0.307) 2.508 2.116 ( 0.569 -1.174 -2.136) 2.503 2.161 ( -0.906 1.640 -0.594) 1.966 2.184 ( -1.693 1.316 5.260) 5.680 2.198 ( 0.358 4.817 -0.245) 4.837 2.247 ( 3.430 -1.179 -0.733) 3.700 2.301 ( -0.326 7.502 0.757) 7.547 2.370 ( 2.184 5.509 2.694) 6.510 2.409 ( -0.404 0.360 2.468) 2.527 2.432 ( 2.363 2.091 1.221) 3.383 2.474 ( -1.572 0.808 2.557) 3.108 2.529 ( 0.886 -0.083 1.233) 1.521 2.554 ( 1.069 1.991 1.713) 2.835 2.620 ( -2.694 2.127 3.949) 5.232 2.638 ( 0.783 -3.705 -2.175) 4.367 2.687 ( -0.765 -0.076 -0.796) 1.107 2.750 ( 0.838 -0.706 -0.247) 1.123 2.782 ( 1.395 -0.654 1.461) 2.123 2.840 ( 0.669 -4.021 -2.400) 4.730 2.859 ( 1.061 0.543 -1.553) 1.958 2.869 ( -2.267 2.018 -0.963) 3.184 2.938 ( 1.021 1.382 -2.508) 3.040 2.988 ( 1.855 -3.125 1.271) 3.850 3.002 ( 0.320 1.888 -3.226) 3.752 3.034 ( 0.187 3.821 -1.779) 4.219 3.074 ( 4.240 -0.575 2.059) 4.748 3.103 ( -2.032 -4.068 -2.072) 4.997 3.135 ( -1.661 1.279 -1.415) 2.529 3.193 ( 0.650 -0.549 1.200) 1.471 3.274 ( -1.116 -8.797 -2.251) 9.149 3.293 ( 2.003 -0.111 1.445) 2.472 3.319 ( 1.871 -0.503 -0.085) 1.939 3.362 ( -0.355 -0.314 -1.283) 1.368 3.394 ( 2.369 -1.166 -0.140) 2.644 3.436 ( 2.315 -3.186 1.202) 4.117 3.465 ( -1.210 -3.048 -0.690) 3.351 3.489 ( 0.427 -0.326 -0.582) 0.792 3.541 ( -0.204 -2.525 0.801) 2.656 3.551 ( -0.788 1.567 -1.076) 2.058 3.595 ( 2.588 -0.373 1.106) 2.839 3.636 ( -0.012 -0.749 1.294) 1.495 3.657 ( -0.874 1.738 0.047) 1.946 3.683 ( 0.628 1.338 -3.029) 3.370 3.777 ( -2.150 -3.960 -0.595) 4.545 3.794 ( -0.925 1.583 -0.166) 1.841 3.807 ( 0.118 -1.017 -2.659) 2.849 3.957 ( 0.937 -1.900 0.401) 2.156 3.980 ( -3.774 -2.866 0.965) 4.836 4.099 ( 0.023 2.805 2.138) 3.527 4.120 ( -1.137 -0.754 1.478) 2.011 4.156 ( 1.856 -1.260 -1.066) 2.484 4.201 ( -2.598 2.082 -0.579) 3.380 4.369 ( 1.449 8.651 1.046) 8.833 4.473 ( 2.034 8.506 -0.774) 8.780 4.552 ( 1.185 -0.094 0.890) 1.485 4.587 ( -1.978 -1.007 1.279) 2.562 4.614 ( -0.577 1.293 -0.211) 1.431 4.632 ( -0.035 2.027 0.336) 2.054 4.688 ( 0.347 -0.740 -0.196) 0.840 4.744 ( -1.592 0.295 2.461) 2.946 4.769 ( -0.375 -1.877 2.463) 3.119 4.833 ( -0.273 1.162 0.750) 1.410 4.844 ( 0.937 -0.469 -0.757) 1.293 4.927 ( -1.055 -1.094 -1.629) 2.228 4.946 ( 2.212 0.079 -0.288) 2.232 4.996 ( -0.793 -1.723 -1.796) 2.613 5.015 ( -0.431 -1.059 -0.156) 1.154 5.074 ( -1.166 -3.690 -0.233) 3.877 5.155 ( -2.517 1.381 1.564) 3.269 5.264 ( -1.742 -3.090 0.753) 3.626 5.310 ( -0.554 2.537 -0.441) 2.634 5.413 ( -1.078 -2.630 -0.943) 2.994 5.721 ( -0.642 4.319 0.444) 4.389 5.742 ( 0.012 4.937 -0.366) 4.951 5.902 ( 0.311 -3.666 0.230) 3.686 5.919 ( -0.028 -3.036 0.064) 3.037 8.450 ( 0.504 0.304 0.198) 0.621 8.469 ( 0.714 1.099 -0.358) 1.359 8.505 ( -0.568 -1.175 0.349) 1.351 8.533 ( -0.159 -0.893 -0.135) 0.917 9.437 ( 0.007 6.842 0.033) 6.842 9.450 ( 0.020 6.663 -0.084) 6.664 9.789 ( 0.071 -8.795 -0.129) 8.796 9.796 ( -0.193 -9.125 0.041) 9.127 10.161 ( 0.219 -1.894 0.057) 1.908 10.185 ( 0.381 0.310 -0.507) 0.706 10.197 ( -0.455 -1.582 -0.063) 1.647 10.231 ( -0.886 -0.876 -0.106) 1.251 10.424 ( 0.518 6.450 0.631) 6.501 10.463 ( 0.586 6.357 -0.187) 6.387 10.553 ( -0.377 -1.272 0.212) 1.344 10.568 ( -0.126 -0.575 -0.107) 0.598 10.739 ( 1.011 1.377 0.343) 1.742 10.813 ( 1.199 5.035 -0.552) 5.205 10.852 ( 1.150 -2.812 2.148) 3.721 11.085 ( 3.076 -6.476 -1.792) 7.390 11.248 ( -0.651 5.965 -0.180) 6.003 11.263 ( -0.336 6.048 -0.018) 6.058 11.466 ( -0.782 -3.776 0.303) 3.868 11.478 ( -0.531 -3.177 -0.109) 3.223 12.727 ( -0.089 0.755 0.052) 0.762 12.735 ( -0.084 0.807 -0.058) 0.813 12.759 ( -0.073 -0.638 0.034) 0.643 12.764 ( -0.087 -0.482 -0.031) 0.490 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -5.130 14.884 6.611) 17.075 0.914 ( -15.260 5.342 -10.806) 19.447 1.188 ( -6.342 -4.729 -6.608) 10.308 1.337 ( -3.383 -8.348 -1.138) 9.080 1.374 ( -5.923 -3.863 -4.766) 8.528 1.486 ( -6.425 -7.563 -3.852) 10.645 1.555 ( -6.038 1.810 -0.505) 6.323 1.576 ( 2.409 5.279 0.160) 5.804 1.725 ( 1.428 -2.721 -0.215) 3.080 1.782 ( 2.627 -6.800 -1.215) 7.390 1.817 ( -1.243 3.398 -0.331) 3.634 1.845 ( -2.977 -4.044 -2.237) 5.497 1.873 ( 3.411 -1.639 -2.130) 4.342 1.920 ( -4.058 -2.489 0.374) 4.775 1.968 ( -1.738 -0.540 1.057) 2.105 2.052 ( -2.725 5.396 -3.339) 6.905 2.085 ( 1.923 -0.869 -0.022) 2.110 2.136 ( 5.007 4.256 4.866) 8.177 2.178 ( 3.624 3.015 -1.096) 4.840 2.213 ( -2.039 2.854 -0.363) 3.526 2.229 ( 1.210 2.632 1.602) 3.310 2.267 ( 0.348 1.197 6.701) 6.816 2.354 ( -3.596 5.212 3.074) 7.039 2.392 ( 3.053 1.643 1.319) 3.709 2.432 ( -2.956 1.300 3.077) 4.461 2.472 ( -0.103 0.362 0.932) 1.005 2.484 ( 4.549 2.548 1.170) 5.344 2.521 ( -3.208 -0.865 3.478) 4.810 2.561 ( -1.268 -1.167 1.316) 2.168 2.609 ( -1.715 3.985 -2.322) 4.921 2.668 ( -1.188 -4.840 3.426) 6.048 2.694 ( 2.035 -2.115 0.818) 3.047 2.733 ( -1.463 -0.384 -2.848) 3.225 2.768 ( -0.484 -1.432 -1.510) 2.137 2.822 ( 0.441 -2.049 -2.176) 3.021 2.832 ( -1.177 1.696 -0.887) 2.247 2.865 ( -2.058 -0.276 -0.779) 2.218 2.925 ( 2.059 -2.656 1.746) 3.787 2.962 ( 0.103 2.570 -1.985) 3.249 3.008 ( 1.314 -1.442 -2.384) 3.081 3.036 ( 1.922 -1.360 -0.172) 2.361 3.065 ( 1.545 -3.069 -3.169) 4.674 3.100 ( -0.682 1.495 1.230) 2.053 3.159 ( 1.941 -2.792 0.423) 3.426 3.205 ( -1.758 -3.531 -1.076) 4.089 3.247 ( 2.187 -3.217 -2.289) 4.514 3.330 ( 0.233 1.923 0.589) 2.025 3.366 ( 0.640 -0.150 1.477) 1.616 3.391 ( 2.868 0.495 3.014) 4.190 3.413 ( 1.012 -2.369 -1.375) 2.920 3.417 ( -0.237 -1.129 0.643) 1.320 3.467 ( -0.634 -0.266 -1.852) 1.975 3.481 ( -1.028 0.805 -1.122) 1.722 3.511 ( -0.735 -0.875 1.725) 2.069 3.593 ( 2.150 -1.111 -1.436) 2.814 3.613 ( 1.913 3.616 0.375) 4.108 3.633 ( -2.276 -2.350 -0.733) 3.353 3.657 ( -1.705 0.072 1.287) 2.138 3.721 ( 4.920 -1.164 -1.813) 5.371 3.755 ( 0.338 1.752 0.144) 1.791 3.793 ( 1.318 -2.065 0.315) 2.470 3.823 ( 2.452 -1.775 0.153) 3.030 3.934 ( 1.474 -1.741 -2.098) 3.099 3.959 ( -1.644 -3.151 -1.318) 3.790 4.106 ( -1.236 0.336 0.578) 1.405 4.136 ( 0.351 0.102 2.632) 2.658 4.161 ( 0.012 2.107 -0.225) 2.119 4.200 ( 2.724 -2.285 0.319) 3.569 4.383 ( -0.651 5.218 0.750) 5.311 4.465 ( -1.426 6.089 -1.632) 6.463 4.537 ( -3.671 1.233 1.319) 4.091 4.599 ( 2.594 3.248 2.245) 4.724 4.625 ( -0.444 4.133 0.749) 4.223 4.650 ( 2.275 -0.614 0.712) 2.461 4.689 ( -0.075 -0.735 0.048) 0.740 4.737 ( -1.798 1.338 2.338) 3.238 4.757 ( -2.981 -0.386 1.995) 3.608 4.838 ( 0.186 -0.259 -0.064) 0.325 4.851 ( 0.289 -0.467 -0.285) 0.619 4.893 ( -0.865 1.739 -1.932) 2.740 4.967 ( -0.636 -2.396 -1.392) 2.844 4.976 ( 1.639 -1.059 -0.920) 2.158 5.002 ( -0.745 -1.225 -1.011) 1.755 5.066 ( 0.754 -3.383 -0.175) 3.470 5.143 ( -1.069 0.005 2.057) 2.318 5.239 ( -1.447 -3.254 -0.570) 3.606 5.300 ( -0.177 3.098 -0.209) 3.110 5.397 ( 0.454 -1.780 -1.560) 2.410 5.717 ( -0.240 4.023 0.267) 4.039 5.748 ( 0.870 4.692 -0.129) 4.774 5.903 ( -0.459 -3.484 0.326) 3.529 5.916 ( -0.361 -2.757 -0.097) 2.782 8.453 ( -0.328 0.256 0.244) 0.482 8.475 ( 0.136 1.137 -0.264) 1.175 8.506 ( 0.223 -1.472 0.440) 1.553 8.530 ( 0.037 -0.854 -0.233) 0.885 9.439 ( 0.124 6.671 0.118) 6.673 9.448 ( -0.066 6.809 -0.171) 6.812 9.789 ( -0.364 -9.029 -0.160) 9.038 9.793 ( 0.395 -8.922 0.032) 8.931 10.157 ( -0.317 -0.889 0.018) 0.944 10.185 ( 0.209 -0.024 -0.517) 0.558 10.206 ( 0.432 -1.874 0.124) 1.927 10.223 ( 0.798 -0.960 -0.273) 1.277 10.431 ( -0.553 6.371 0.739) 6.438 10.466 ( -0.154 6.027 -0.144) 6.031 10.555 ( 0.315 -0.943 0.234) 1.021 10.570 ( 0.499 -0.526 -0.059) 0.727 10.750 ( -0.409 1.733 0.829) 1.964 10.802 ( -1.611 4.943 -1.005) 5.295 10.876 ( -1.135 -3.076 2.953) 4.413 11.077 ( -1.793 -7.348 -2.148) 7.863 11.250 ( -0.288 4.840 -0.151) 4.851 11.281 ( 3.887 6.069 0.218) 7.210 11.469 ( 0.663 -2.940 0.287) 3.028 11.498 ( 3.006 -2.395 0.350) 3.859 12.728 ( 0.177 0.763 0.108) 0.790 12.734 ( 0.085 0.827 -0.101) 0.837 12.760 ( 0.133 -0.632 0.076) 0.650 12.764 ( 0.059 -0.473 -0.064) 0.481 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -14.960 8.752 -5.289) 18.121 0.783 ( -10.901 13.553 5.860) 18.353 1.021 ( -7.517 -8.828 -0.374) 11.601 1.186 ( -11.967 5.591 3.620) 13.695 1.249 ( -11.324 -8.760 0.834) 14.341 1.369 ( -2.291 -4.021 -1.766) 4.953 1.440 ( -8.374 4.164 1.791) 9.522 1.612 ( 0.187 10.561 -2.259) 10.802 1.709 ( -0.401 3.572 -0.629) 3.649 1.749 ( -1.785 -0.431 0.876) 2.035 1.785 ( -3.120 -2.259 0.750) 3.924 1.817 ( 0.277 -3.196 -1.940) 3.749 1.848 ( -0.670 -2.761 -6.101) 6.730 1.918 ( 0.492 -3.509 -4.530) 5.752 1.961 ( 2.003 -0.562 -0.148) 2.086 1.976 ( -4.625 3.472 0.084) 5.784 2.115 ( 0.812 -0.885 0.890) 1.495 2.155 ( -1.993 2.698 -0.329) 3.370 2.186 ( -1.087 -2.091 -0.795) 2.487 2.232 ( -4.860 6.026 1.215) 7.836 2.280 ( 3.471 -1.730 0.275) 3.888 2.295 ( 3.860 2.239 4.601) 6.410 2.338 ( -0.794 0.012 1.657) 1.837 2.373 ( -4.458 -3.423 1.048) 5.717 2.401 ( -3.258 1.266 0.582) 3.543 2.447 ( -1.511 4.200 -0.456) 4.487 2.510 ( 0.565 0.753 1.580) 1.839 2.541 ( -2.313 0.570 0.776) 2.505 2.545 ( -2.530 -1.337 -1.482) 3.222 2.593 ( -0.153 -3.549 -0.795) 3.640 2.677 ( -1.206 -3.290 -1.959) 4.015 2.699 ( 6.239 -0.218 3.031) 6.940 2.747 ( 3.905 0.433 1.409) 4.174 2.767 ( 1.172 -2.849 0.515) 3.124 2.811 ( -1.009 -1.112 0.805) 1.704 2.842 ( 0.871 0.692 2.138) 2.410 2.857 ( -0.515 0.864 1.387) 1.713 2.962 ( 2.219 -0.210 0.664) 2.326 2.979 ( 1.844 -2.870 -1.914) 3.912 3.026 ( 1.938 -5.545 0.551) 5.899 3.070 ( 1.163 -2.164 -0.527) 2.513 3.082 ( 2.746 -2.259 -1.727) 3.953 3.113 ( 0.259 1.523 0.927) 1.802 3.137 ( -2.961 -3.088 -0.624) 4.324 3.199 ( 2.329 -3.465 -2.010) 4.633 3.221 ( -3.059 -1.311 -2.216) 3.998 3.341 ( 3.110 2.971 -2.318) 4.886 3.363 ( -4.506 0.547 0.149) 4.542 3.384 ( 0.692 -0.133 -0.744) 1.024 3.407 ( -1.508 0.781 -1.136) 2.044 3.443 ( 0.447 -0.273 1.734) 1.811 3.464 ( -0.228 0.001 -1.886) 1.900 3.497 ( 2.846 -0.585 1.361) 3.209 3.536 ( 0.409 -2.304 3.166) 3.937 3.569 ( -2.133 -2.240 -1.772) 3.565 3.603 ( 0.361 -2.644 -1.441) 3.033 3.639 ( 1.372 3.886 0.159) 4.124 3.653 ( 1.390 2.526 0.196) 2.890 3.751 ( 0.642 0.970 -3.565) 3.750 3.757 ( 0.902 0.991 -0.988) 1.665 3.831 ( 1.579 -3.065 -2.627) 4.335 3.870 ( 2.632 -1.973 4.608) 5.662 3.916 ( -0.878 -0.695 -1.386) 1.782 3.981 ( 4.961 -2.940 -4.124) 7.089 4.090 ( -0.929 2.335 1.071) 2.732 4.131 ( -0.707 3.522 0.561) 3.636 4.199 ( 1.085 -1.278 0.887) 1.897 4.246 ( 2.519 -2.242 0.204) 3.379 4.354 ( -2.225 2.317 -0.523) 3.255 4.429 ( -2.126 4.824 0.684) 5.316 4.514 ( -1.272 4.487 1.903) 5.037 4.600 ( -1.994 2.856 0.386) 3.505 4.657 ( 0.603 -0.115 0.934) 1.118 4.684 ( -0.523 1.536 0.741) 1.784 4.708 ( 1.425 0.557 2.650) 3.060 4.726 ( -1.421 0.249 1.764) 2.279 4.741 ( 0.153 1.303 1.764) 2.199 4.826 ( -0.763 0.493 -1.698) 1.926 4.844 ( -0.949 -0.702 -0.458) 1.266 4.871 ( -0.005 1.271 -0.941) 1.582 4.943 ( -0.777 -1.623 -0.846) 1.989 4.967 ( 0.299 -1.671 -3.068) 3.506 5.005 ( 0.579 -2.543 0.786) 2.724 5.090 ( 1.550 -3.540 0.938) 3.977 5.154 ( -0.849 -1.960 4.228) 4.738 5.210 ( -1.200 -3.273 -0.542) 3.527 5.303 ( 0.508 3.476 0.393) 3.534 5.398 ( 1.168 -1.475 -1.269) 2.269 5.720 ( 0.498 3.669 0.069) 3.704 5.763 ( 1.175 3.898 -0.315) 4.084 5.898 ( -0.592 -1.791 0.699) 2.011 5.907 ( -0.379 -2.214 0.091) 2.248 8.447 ( -0.583 0.885 0.152) 1.070 8.469 ( -0.299 1.444 -0.367) 1.520 8.514 ( 0.258 -1.701 0.129) 1.725 8.533 ( 0.430 -1.266 0.022) 1.337 9.440 ( -0.111 6.569 -0.058) 6.570 9.448 ( 0.182 6.786 0.015) 6.789 9.782 ( -0.244 -9.085 -0.125) 9.089 9.802 ( 0.506 -9.126 0.104) 9.141 10.155 ( -0.187 -0.469 0.079) 0.511 10.183 ( 0.301 0.487 -0.468) 0.739 10.210 ( 0.693 -0.918 -0.345) 1.201 10.252 ( 2.137 -1.283 0.091) 2.494 10.423 ( -0.866 6.795 0.604) 6.876 10.454 ( -1.067 6.119 -0.365) 6.222 10.562 ( 0.255 -1.124 0.009) 1.153 10.583 ( 0.999 -1.078 -0.003) 1.470 10.735 ( -2.174 2.478 0.258) 3.306 10.755 ( -2.496 3.670 -0.414) 4.458 10.871 ( -2.488 -3.094 2.677) 4.788 10.995 ( -5.482 -8.853 -2.503) 10.710 11.245 ( -0.077 4.738 -0.049) 4.739 11.375 ( 6.782 4.778 -0.620) 8.320 11.499 ( 3.472 0.609 -0.645) 3.583 11.570 ( 4.923 -0.442 -0.119) 4.944 12.734 ( 0.293 0.733 0.093) 0.794 12.736 ( 0.245 0.765 -0.127) 0.813 12.763 ( 0.186 -0.569 0.005) 0.599 12.765 ( 0.184 -0.536 -0.009) 0.567 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -7.595 7.818 16.055) 19.406 0.624 ( -13.663 12.387 11.827) 21.908 0.962 ( -4.564 -13.125 7.938) 16.003 1.072 ( -11.055 22.114 9.223) 26.388 1.089 ( -2.752 0.926 0.835) 3.022 1.290 ( -10.659 -1.158 4.051) 11.461 1.338 ( -2.679 -3.562 1.543) 4.716 1.568 ( -0.606 15.388 -5.420) 16.326 1.715 ( -0.878 0.339 -0.876) 1.285 1.724 ( -3.878 -1.073 -0.211) 4.029 1.748 ( -2.204 1.161 -2.719) 3.687 1.768 ( -0.023 0.295 1.884) 1.907 1.799 ( -3.002 0.896 -1.542) 3.492 1.877 ( 3.121 -0.858 1.289) 3.484 1.944 ( -3.214 -2.218 -1.796) 4.298 1.982 ( 3.824 -3.091 -0.237) 4.923 2.091 ( -3.370 2.173 -0.021) 4.010 2.138 ( -1.651 -2.341 2.214) 3.621 2.152 ( -0.318 1.643 -2.306) 2.849 2.207 ( 1.850 0.902 -1.059) 2.315 2.296 ( -1.582 1.938 -2.019) 3.215 2.308 ( -2.222 -2.236 1.443) 3.467 2.337 ( -1.089 -2.049 2.411) 3.346 2.387 ( 1.989 -0.203 0.977) 2.225 2.403 ( 1.649 0.991 -0.524) 1.994 2.439 ( -1.317 3.441 1.515) 3.984 2.481 ( -0.747 -1.329 -0.751) 1.700 2.507 ( -0.652 -2.559 0.446) 2.678 2.528 ( -1.029 -0.256 0.956) 1.427 2.603 ( 2.360 -2.441 -0.690) 3.464 2.647 ( -1.076 -17.591 0.236) 17.626 2.754 ( 0.986 0.588 -2.288) 2.560 2.786 ( 0.902 2.465 0.058) 2.626 2.821 ( 0.471 -3.252 1.710) 3.704 2.848 ( 1.267 4.700 -1.225) 5.020 2.884 ( 4.028 1.716 1.385) 4.592 2.900 ( 2.296 -3.572 2.630) 4.995 2.972 ( 1.332 -0.005 -2.061) 2.454 2.995 ( 0.965 -5.332 -0.407) 5.434 3.029 ( -3.647 -0.743 -1.069) 3.872 3.065 ( -2.466 -1.687 -3.524) 4.620 3.083 ( 1.675 -1.288 1.855) 2.811 3.119 ( -0.224 -5.073 2.175) 5.524 3.123 ( -0.060 1.446 0.368) 1.493 3.176 ( 0.491 0.042 -0.010) 0.493 3.206 ( 0.628 -2.714 -3.128) 4.189 3.275 ( -2.919 0.775 -2.064) 3.658 3.328 ( -4.767 2.106 -3.526) 6.292 3.364 ( 2.371 1.358 -3.143) 4.165 3.401 ( -0.955 -2.466 -0.403) 2.674 3.416 ( -0.634 -3.860 -2.969) 4.911 3.465 ( -3.768 -0.800 0.615) 3.900 3.497 ( 2.000 -0.220 0.947) 2.223 3.557 ( -0.394 -1.421 1.673) 2.230 3.570 ( 0.748 0.871 -0.750) 1.371 3.603 ( 1.634 -0.670 -2.764) 3.280 3.674 ( 1.383 2.273 -1.997) 3.327 3.692 ( 1.777 -0.853 3.725) 4.214 3.739 ( 3.685 0.895 -2.194) 4.381 3.757 ( 0.237 3.365 -0.786) 3.464 3.840 ( 1.969 -0.779 -1.620) 2.666 3.876 ( -0.947 -0.733 0.203) 1.214 3.942 ( 0.465 -0.624 -0.332) 0.846 4.025 ( 3.525 -2.034 1.424) 4.312 4.092 ( -1.166 6.239 1.073) 6.437 4.133 ( 1.060 2.006 -0.564) 2.338 4.175 ( -2.360 1.383 -1.615) 3.176 4.281 ( 1.364 -1.537 -0.265) 2.072 4.346 ( 0.205 1.526 1.531) 2.172 4.407 ( -1.192 7.609 0.181) 7.704 4.477 ( -4.906 1.135 0.801) 5.099 4.582 ( 0.014 2.082 0.166) 2.088 4.661 ( -2.728 2.708 1.909) 4.292 4.666 ( -0.480 -2.076 0.704) 2.244 4.716 ( -0.519 -1.051 1.014) 1.550 4.732 ( -1.509 0.438 -1.083) 1.908 4.766 ( 0.349 1.404 -0.313) 1.481 4.794 ( -0.511 1.041 -0.738) 1.375 4.830 ( 0.014 0.058 1.420) 1.421 4.865 ( -0.292 -0.289 -0.888) 0.978 4.948 ( 1.727 -0.908 0.437) 2.000 4.957 ( 1.005 -1.670 -0.951) 2.169 5.017 ( -0.423 -4.420 1.874) 4.820 5.123 ( 1.024 -4.525 0.799) 4.707 5.198 ( -0.412 -2.752 1.361) 3.098 5.203 ( -0.391 -5.885 8.563) 10.398 5.324 ( 0.730 2.233 1.814) 2.968 5.412 ( 1.263 -1.583 -0.186) 2.034 5.731 ( 0.333 2.903 0.345) 2.942 5.791 ( 2.841 1.442 -0.695) 3.261 5.891 ( -0.484 0.189 -0.187) 0.552 5.921 ( 0.937 -2.172 1.959) 3.071 8.441 ( -0.116 1.714 0.058) 1.719 8.465 ( 0.393 1.867 -0.506) 1.974 8.516 ( -0.021 -1.661 0.147) 1.668 8.541 ( 0.386 -1.559 0.069) 1.608 9.437 ( -0.145 6.602 -0.046) 6.604 9.449 ( -0.131 6.670 -0.084) 6.672 9.780 ( 0.053 -9.378 0.087) 9.379 9.809 ( 0.249 -9.340 -0.045) 9.344 10.148 ( -0.445 -0.509 -0.054) 0.678 10.196 ( 1.534 0.687 -0.294) 1.706 10.225 ( 1.261 0.590 -0.402) 1.449 10.290 ( 2.251 -0.909 -0.042) 2.428 10.412 ( -1.147 6.764 -0.100) 6.861 10.436 ( 0.073 6.830 -0.166) 6.832 10.563 ( -0.075 -1.725 -0.034) 1.727 10.595 ( 0.362 -2.523 -0.371) 2.576 10.695 ( -1.799 2.516 -0.297) 3.107 10.720 ( -1.872 2.918 0.135) 3.469 10.840 ( -4.489 -4.372 -0.049) 6.266 10.859 ( -6.144 -4.976 -1.144) 7.989 11.246 ( 0.035 5.248 0.182) 5.251 11.459 ( 3.402 -2.600 -0.438) 4.304 11.571 ( 8.509 10.260 -8.728) 15.932 11.638 ( 3.613 1.591 -1.791) 4.335 12.738 ( 0.128 0.665 -0.020) 0.677 12.740 ( 0.246 0.648 -0.089) 0.699 12.766 ( 0.157 -0.516 -0.047) 0.541 12.768 ( 0.114 -0.610 0.018) 0.620 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.134 -14.211 11.200) 18.094 0.693 ( 0.134 14.211 11.200) 18.094 0.949 ( 1.391 -11.576 18.062) 21.498 0.949 ( 1.391 11.576 18.062) 21.498 1.233 ( -0.208 -4.941 0.701) 4.994 1.233 ( -0.208 4.941 0.701) 4.994 1.585 ( 0.911 -3.863 -2.419) 4.648 1.585 ( 0.911 3.863 -2.419) 4.648 1.728 ( -1.981 -9.578 -2.035) 9.991 1.728 ( -1.981 9.578 -2.035) 9.991 1.774 ( 0.305 -2.108 2.320) 3.149 1.774 ( 0.305 2.108 2.320) 3.149 1.887 ( -0.712 -12.143 -0.715) 12.185 1.887 ( -0.712 12.143 -0.715) 12.185 2.001 ( 2.629 -1.602 3.799) 4.890 2.001 ( 2.629 1.602 3.799) 4.890 2.040 ( 1.555 -21.885 2.350) 22.066 2.040 ( 1.555 21.885 2.350) 22.066 2.179 ( 1.522 -4.398 2.509) 5.287 2.179 ( 1.522 4.398 2.509) 5.287 2.237 ( -1.688 -2.091 -2.568) 3.718 2.237 ( -1.688 2.091 -2.568) 3.718 2.322 ( -0.119 -4.454 -1.269) 4.633 2.322 ( -0.119 4.454 -1.269) 4.633 2.392 ( -0.995 -2.982 -0.765) 3.235 2.392 ( -0.995 2.982 -0.765) 3.235 2.431 ( 0.551 -2.223 -0.410) 2.327 2.431 ( 0.551 2.223 -0.410) 2.327 2.585 ( -0.243 -4.847 0.697) 4.903 2.585 ( -0.243 4.847 0.697) 4.903 2.679 ( 1.360 -6.878 4.637) 8.406 2.679 ( 1.360 6.878 4.637) 8.406 2.793 ( 0.559 -2.904 0.050) 2.958 2.793 ( 0.559 2.904 0.050) 2.958 2.864 ( -5.810 -2.043 -4.486) 7.619 2.864 ( -5.810 2.043 -4.486) 7.619 2.937 ( 1.662 -2.548 -3.571) 4.691 2.937 ( 1.662 2.548 -3.571) 4.691 2.996 ( 0.224 -5.380 0.641) 5.422 2.996 ( 0.224 5.380 0.641) 5.422 3.062 ( -0.475 -4.940 0.595) 4.998 3.062 ( -0.475 4.940 0.595) 4.998 3.082 ( -0.284 -1.237 -2.897) 3.163 3.082 ( -0.284 1.237 -2.897) 3.163 3.174 ( -1.650 -1.700 0.195) 2.377 3.174 ( -1.650 1.700 0.195) 2.377 3.266 ( -0.277 -2.737 -2.615) 3.795 3.266 ( -0.277 2.737 -2.615) 3.795 3.324 ( 2.800 -4.084 -3.539) 6.086 3.324 ( 2.800 4.084 -3.539) 6.086 3.402 ( 0.806 -0.221 -1.013) 1.313 3.402 ( 0.806 0.221 -1.013) 1.313 3.525 ( -1.585 -0.296 -1.344) 2.099 3.525 ( -1.585 0.296 -1.344) 2.099 3.582 ( -0.139 -1.094 -1.250) 1.667 3.582 ( -0.139 1.094 -1.250) 1.667 3.719 ( 0.779 -2.750 2.607) 3.869 3.719 ( 0.779 2.750 2.607) 3.869 3.806 ( 2.287 -1.866 -0.285) 2.966 3.806 ( 2.287 1.866 -0.285) 2.966 3.886 ( 0.569 -1.172 0.087) 1.306 3.886 ( 0.569 1.172 0.087) 1.306 4.001 ( 0.175 -4.807 1.432) 5.019 4.001 ( 0.175 4.807 1.432) 5.019 4.122 ( -1.176 -0.541 -0.340) 1.338 4.122 ( -1.176 0.541 -0.340) 1.338 4.254 ( 2.046 -2.720 -1.774) 3.838 4.254 ( 2.046 2.720 -1.774) 3.838 4.361 ( -2.202 -2.988 2.197) 4.314 4.361 ( -2.202 2.988 2.197) 4.314 4.591 ( -0.490 -5.685 -2.000) 6.046 4.591 ( -0.490 5.685 -2.000) 6.046 4.653 ( -0.484 -2.164 0.482) 2.269 4.653 ( -0.484 2.164 0.482) 2.269 4.701 ( -1.624 -2.733 1.058) 3.350 4.701 ( -1.624 2.733 1.058) 3.350 4.771 ( 0.241 -6.651 -1.307) 6.782 4.771 ( 0.241 6.651 -1.307) 6.782 4.868 ( 1.085 -3.029 0.977) 3.363 4.868 ( 1.085 3.029 0.977) 3.363 4.944 ( 0.843 -1.795 2.136) 2.915 4.944 ( 0.843 1.795 2.136) 2.915 5.035 ( -0.545 -4.787 0.482) 4.842 5.035 ( -0.545 4.787 0.482) 4.842 5.194 ( -0.384 -0.345 4.578) 4.607 5.194 ( -0.384 0.345 4.578) 4.607 5.382 ( 0.132 -2.805 -0.063) 2.809 5.382 ( 0.132 2.805 -0.063) 2.809 5.792 ( 0.677 -2.750 0.823) 2.949 5.792 ( 0.677 2.750 0.823) 2.949 5.893 ( -0.796 -1.326 -0.194) 1.559 5.893 ( -0.796 1.326 -0.194) 1.559 8.476 ( -0.045 -1.665 -0.303) 1.693 8.476 ( -0.045 1.665 -0.303) 1.693 8.511 ( -0.024 -1.567 0.152) 1.574 8.511 ( -0.024 1.567 0.152) 1.574 9.592 ( 0.120 -8.482 -0.027) 8.483 9.592 ( 0.120 8.482 -0.027) 8.483 9.615 ( -0.111 -9.055 -0.057) 9.056 9.615 ( -0.111 9.055 -0.057) 9.056 10.179 ( 0.291 -2.705 0.774) 2.828 10.179 ( 0.291 2.705 0.774) 2.828 10.274 ( -0.276 -2.386 -1.296) 2.729 10.274 ( -0.276 2.386 -1.296) 2.729 10.493 ( -0.748 -2.364 -0.613) 2.554 10.493 ( -0.748 2.364 -0.613) 2.554 10.537 ( 1.034 -1.982 0.404) 2.271 10.537 ( 1.034 1.982 0.404) 2.271 10.735 ( 0.990 -2.947 0.063) 3.110 10.735 ( 0.990 2.947 0.063) 3.110 10.759 ( -1.017 -3.325 -0.272) 3.487 10.759 ( -1.017 3.325 -0.272) 3.487 11.373 ( -0.034 -7.242 1.092) 7.324 11.373 ( -0.034 7.242 1.092) 7.324 11.657 ( -0.012 -1.189 -7.231) 7.329 11.657 ( -0.012 1.189 -7.231) 7.329 12.752 ( 0.076 -0.256 -0.148) 0.306 12.752 ( 0.076 0.256 -0.148) 0.306 12.756 ( -0.059 -0.128 0.052) 0.150 12.756 ( -0.059 0.128 0.052) 0.150 ======================= Grid point 51 (28/54) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.757 -9.312 7.128) 14.061 0.849 ( 7.757 9.312 7.128) 14.061 1.182 ( 6.762 -5.951 13.740) 16.429 1.182 ( 6.762 5.951 13.740) 16.429 1.267 ( 1.176 -6.313 5.548) 8.487 1.267 ( 1.176 6.313 5.548) 8.487 1.588 ( 1.550 -3.281 -3.405) 4.976 1.588 ( 1.550 3.281 -3.405) 4.976 1.715 ( -0.137 -10.326 2.872) 10.719 1.715 ( -0.137 10.326 2.872) 10.719 1.808 ( 1.825 -7.983 -2.243) 8.490 1.808 ( 1.825 7.983 -2.243) 8.490 1.864 ( 0.477 -4.102 -1.494) 4.391 1.864 ( 0.477 4.102 -1.494) 4.391 2.035 ( 0.925 -6.962 3.055) 7.659 2.035 ( 0.925 6.962 3.055) 7.659 2.105 ( -0.831 -5.483 1.738) 5.811 2.105 ( -0.831 5.483 1.738) 5.811 2.161 ( 0.170 -4.525 -0.873) 4.611 2.161 ( 0.170 4.525 -0.873) 4.611 2.265 ( 0.582 -5.555 0.516) 5.610 2.265 ( 0.582 5.555 0.516) 5.610 2.332 ( 2.281 -2.184 0.194) 3.164 2.332 ( 2.281 2.184 0.194) 3.164 2.371 ( 1.452 -3.113 -1.773) 3.866 2.371 ( 1.452 3.113 -1.773) 3.866 2.473 ( 2.708 -3.087 1.071) 4.243 2.473 ( 2.708 3.087 1.071) 4.243 2.559 ( -2.937 -4.757 -0.679) 5.632 2.559 ( -2.937 4.757 -0.679) 5.632 2.713 ( -5.242 -2.513 -0.914) 5.885 2.713 ( -5.242 2.513 -0.914) 5.885 2.748 ( 1.577 -1.948 2.885) 3.822 2.748 ( 1.577 1.948 2.885) 3.822 2.808 ( 2.071 -1.602 -0.939) 2.782 2.808 ( 2.071 1.602 -0.939) 2.782 2.925 ( -0.325 -1.028 -2.366) 2.600 2.925 ( -0.325 1.028 -2.366) 2.600 2.977 ( -2.428 -7.165 -1.006) 7.632 2.977 ( -2.428 7.165 -1.006) 7.632 3.029 ( 1.200 -2.502 -0.631) 2.845 3.029 ( 1.199 2.502 -0.631) 2.845 3.086 ( -0.517 -1.195 -2.315) 2.656 3.086 ( -0.517 1.195 -2.315) 2.656 3.157 ( 1.970 -4.697 -0.832) 5.161 3.157 ( 1.970 4.697 -0.832) 5.161 3.268 ( 2.093 -2.672 -3.405) 4.808 3.268 ( 2.093 2.672 -3.405) 4.808 3.352 ( 3.209 -2.809 -2.060) 4.736 3.352 ( 3.209 2.809 -2.060) 4.736 3.413 ( 0.235 -2.997 0.075) 3.007 3.413 ( 0.235 2.997 0.075) 3.007 3.488 ( -0.916 -0.983 -0.900) 1.617 3.488 ( -0.916 0.983 -0.900) 1.617 3.569 ( -0.316 -1.823 -0.401) 1.894 3.569 ( -0.316 1.823 -0.401) 1.894 3.729 ( -1.046 -2.938 0.276) 3.131 3.729 ( -1.046 2.938 0.276) 3.131 3.824 ( -0.139 -2.101 -1.013) 2.337 3.824 ( -0.139 2.101 -1.013) 2.337 3.874 ( -2.804 -2.219 1.625) 3.928 3.874 ( -2.804 2.219 1.625) 3.928 3.985 ( -1.652 -3.424 -0.710) 3.867 3.985 ( -1.652 3.424 -0.710) 3.867 4.123 ( 0.106 -1.059 0.987) 1.451 4.123 ( 0.106 1.059 0.987) 1.451 4.251 ( -0.568 -1.201 -1.723) 2.176 4.251 ( -0.568 1.201 -1.723) 2.176 4.369 ( 1.106 -5.150 2.995) 6.059 4.369 ( 1.106 5.150 2.995) 6.059 4.572 ( 1.142 -4.782 -3.856) 6.248 4.572 ( 1.142 4.782 -3.856) 6.248 4.647 ( -0.786 -2.627 1.765) 3.261 4.647 ( -0.786 2.627 1.765) 3.261 4.707 ( -0.639 -3.164 2.364) 4.001 4.707 ( -0.639 3.164 2.364) 4.001 4.772 ( 1.068 -6.480 -0.894) 6.628 4.772 ( 1.068 6.480 -0.894) 6.628 4.880 ( 0.938 -4.337 -1.301) 4.624 4.880 ( 0.938 4.337 -1.301) 4.624 4.969 ( -0.876 -3.546 2.364) 4.351 4.969 ( -0.876 3.546 2.364) 4.351 5.032 ( -0.087 -3.194 0.553) 3.243 5.032 ( -0.087 3.194 0.553) 3.243 5.221 ( -1.194 -1.439 3.806) 4.241 5.221 ( -1.194 1.439 3.806) 4.241 5.379 ( -0.275 -3.313 -0.012) 3.325 5.379 ( -0.275 3.313 -0.012) 3.325 5.810 ( 0.320 -3.393 0.880) 3.520 5.810 ( 0.320 3.393 0.880) 3.520 5.868 ( -1.465 -2.645 -0.368) 3.046 5.868 ( -1.465 2.645 -0.368) 3.046 8.470 ( -0.313 -1.658 -0.326) 1.719 8.470 ( -0.313 1.658 -0.326) 1.719 8.511 ( -0.118 -1.116 0.216) 1.143 8.511 ( -0.118 1.116 0.216) 1.143 9.595 ( 0.278 -7.020 -0.050) 7.026 9.595 ( 0.278 7.020 -0.050) 7.026 9.613 ( -0.126 -7.230 -0.010) 7.231 9.613 ( -0.126 7.230 -0.010) 7.231 10.188 ( -0.382 -2.874 0.819) 3.013 10.188 ( -0.382 2.874 0.819) 3.013 10.241 ( -1.505 -2.532 -1.151) 3.162 10.241 ( -1.505 2.532 -1.151) 3.162 10.489 ( 0.584 -1.883 -0.167) 1.978 10.489 ( 0.584 1.883 -0.167) 1.978 10.550 ( 0.205 -1.534 -0.240) 1.566 10.550 ( 0.205 1.534 -0.240) 1.566 10.743 ( 0.407 -2.923 -0.631) 3.018 10.743 ( 0.407 2.923 -0.631) 3.018 10.800 ( 5.132 -5.187 0.394) 7.307 10.800 ( 5.132 5.187 0.394) 7.307 11.378 ( -0.830 -6.708 1.641) 6.955 11.378 ( -0.830 6.708 1.641) 6.955 11.552 ( -4.068 -4.163 -6.093) 8.426 11.552 ( -4.068 4.163 -6.093) 8.426 12.749 ( -0.154 -0.559 -0.150) 0.598 12.749 ( -0.154 0.559 -0.150) 0.598 12.756 ( -0.094 -0.487 0.064) 0.501 12.756 ( -0.094 0.487 0.064) 0.501 ======================= Grid point 53 (29/54) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.114 -5.157 3.072) 8.568 1.024 ( 6.114 5.157 3.072) 8.568 1.346 ( 5.972 -1.529 1.655) 6.382 1.346 ( 5.972 1.529 1.655) 6.382 1.370 ( 0.550 -3.278 5.547) 6.467 1.370 ( 0.550 3.278 5.547) 6.467 1.598 ( 1.348 -1.460 1.868) 2.727 1.598 ( 1.348 1.460 1.868) 2.727 1.730 ( 1.154 -4.759 -0.406) 4.914 1.730 ( 1.154 4.759 -0.406) 4.914 1.803 ( 0.188 -7.395 -3.128) 8.032 1.803 ( 0.188 7.395 -3.128) 8.032 1.876 ( 0.698 -3.559 2.665) 4.501 1.876 ( 0.698 3.559 2.665) 4.501 2.044 ( -3.134 -5.002 1.158) 6.015 2.044 ( -3.134 5.002 1.158) 6.015 2.091 ( 0.517 -1.785 -2.156) 2.846 2.091 ( 0.517 1.785 -2.156) 2.846 2.187 ( 0.432 -2.663 -1.238) 2.968 2.187 ( 0.432 2.663 -1.238) 2.968 2.239 ( 0.529 -2.020 -0.515) 2.151 2.239 ( 0.529 2.020 -0.515) 2.151 2.356 ( 0.093 -5.301 0.464) 5.322 2.356 ( 0.093 5.301 0.464) 5.322 2.387 ( 0.093 -1.849 -1.417) 2.331 2.387 ( 0.093 1.849 -1.417) 2.331 2.486 ( 3.893 -4.505 -0.737) 6.000 2.486 ( 3.893 4.505 -0.737) 6.000 2.559 ( -1.669 -5.193 3.731) 6.609 2.559 ( -1.669 5.193 3.731) 6.609 2.697 ( 1.931 -2.804 2.271) 4.093 2.697 ( 1.931 2.804 2.271) 4.093 2.763 ( -0.555 -3.262 -2.689) 4.264 2.763 ( -0.555 3.262 -2.689) 4.264 2.864 ( -0.340 -4.565 1.179) 4.727 2.864 ( -0.340 4.565 1.179) 4.727 2.909 ( 2.460 -4.009 -0.998) 4.809 2.909 ( 2.460 4.009 -0.998) 4.809 2.948 ( 0.820 -4.297 1.878) 4.761 2.948 ( 0.820 4.297 1.878) 4.761 3.020 ( -0.065 -3.791 -2.365) 4.469 3.020 ( -0.065 3.791 -2.365) 4.469 3.104 ( 3.498 -2.727 0.644) 4.482 3.104 ( 3.498 2.727 0.644) 4.482 3.189 ( 2.342 -4.196 -2.707) 5.515 3.189 ( 2.342 4.196 -2.707) 5.515 3.257 ( 0.232 -0.618 -2.048) 2.151 3.257 ( 0.232 0.618 -2.048) 2.151 3.378 ( -0.094 -0.444 -0.952) 1.055 3.378 ( -0.094 0.444 -0.952) 1.055 3.398 ( 1.113 -2.947 -1.344) 3.425 3.398 ( 1.113 2.947 -1.344) 3.425 3.488 ( -0.003 -2.050 1.161) 2.356 3.488 ( -0.003 2.050 1.161) 2.356 3.570 ( 0.543 -1.927 0.322) 2.028 3.570 ( 0.543 1.927 0.322) 2.028 3.687 ( -3.197 -2.975 -1.771) 4.713 3.687 ( -3.197 2.975 -1.771) 4.713 3.788 ( -1.259 -3.440 -2.699) 4.550 3.788 ( -1.259 3.440 -2.699) 4.550 3.837 ( -2.879 -2.380 0.981) 3.862 3.837 ( -2.879 2.380 0.981) 3.862 3.959 ( -1.724 -3.868 1.224) 4.408 3.959 ( -1.724 3.868 1.224) 4.408 4.120 ( -0.347 -1.117 -0.734) 1.381 4.120 ( -0.347 1.117 -0.734) 1.381 4.220 ( -2.452 -3.115 0.980) 4.083 4.220 ( -2.452 3.115 0.980) 4.083 4.438 ( 3.136 -4.968 2.715) 6.472 4.438 ( 3.136 4.968 2.715) 6.472 4.558 ( 1.124 -3.484 -3.063) 4.773 4.558 ( 1.124 3.484 -3.063) 4.773 4.656 ( -0.311 -2.816 1.579) 3.243 4.656 ( -0.311 2.816 1.579) 3.243 4.711 ( -0.818 -0.502 1.441) 1.732 4.711 ( -0.818 0.502 1.441) 1.732 4.785 ( 0.786 -5.035 0.116) 5.097 4.785 ( 0.786 5.035 0.116) 5.097 4.882 ( 0.907 -3.920 -1.474) 4.285 4.882 ( 0.907 3.920 -1.474) 4.285 4.960 ( -1.712 -3.481 1.298) 4.090 4.960 ( -1.712 3.481 1.298) 4.090 5.037 ( 0.069 -1.846 -0.115) 1.851 5.037 ( 0.069 1.846 -0.115) 1.851 5.220 ( -1.962 -2.778 2.079) 3.987 5.220 ( -1.962 2.778 2.079) 3.987 5.372 ( -0.446 -3.359 -0.235) 3.397 5.372 ( -0.446 3.359 -0.235) 3.397 5.812 ( -0.269 -3.666 -0.379) 3.696 5.812 ( -0.269 3.666 -0.379) 3.696 5.851 ( -0.638 -3.712 0.637) 3.820 5.851 ( -0.638 3.712 0.637) 3.820 8.464 ( -0.024 -1.635 -0.146) 1.642 8.464 ( -0.024 1.635 -0.146) 1.642 8.510 ( -0.108 -1.445 0.100) 1.453 8.510 ( -0.108 1.445 0.100) 1.453 9.598 ( 0.212 -4.413 -0.196) 4.422 9.598 ( 0.212 4.413 -0.196) 4.422 9.612 ( -0.075 -4.025 0.161) 4.029 9.612 ( -0.075 4.025 0.161) 4.029 10.177 ( -1.058 -2.439 -0.004) 2.658 10.177 ( -1.058 2.439 -0.004) 2.658 10.218 ( -0.652 -2.163 -0.218) 2.270 10.218 ( -0.652 2.163 -0.218) 2.270 10.503 ( 0.766 -3.097 0.310) 3.206 10.503 ( 0.766 3.097 0.310) 3.206 10.545 ( -0.164 -2.034 -0.469) 2.094 10.545 ( -0.164 2.034 -0.469) 2.094 10.756 ( 1.484 -2.933 -0.055) 3.288 10.756 ( 1.484 2.933 -0.055) 3.288 10.891 ( 4.968 -7.253 -0.178) 8.793 10.891 ( 4.968 7.253 -0.178) 8.793 11.378 ( -1.035 -5.140 1.819) 5.549 11.378 ( -1.035 5.140 1.819) 5.549 11.441 ( -3.784 -4.717 -3.385) 6.930 11.441 ( -3.784 4.717 -3.385) 6.930 12.745 ( -0.194 -0.811 -0.054) 0.836 12.745 ( -0.194 0.811 -0.054) 0.836 12.754 ( -0.146 -0.727 0.006) 0.741 12.754 ( -0.146 0.727 0.006) 0.741 ======================= Grid point 55 (30/54) ======================= q-point: (-0.57 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.602 -12.220 0.927) 12.270 1.095 ( 0.602 12.220 0.927) 12.270 1.279 ( -5.066 -3.255 -7.395) 9.536 1.279 ( -5.066 3.255 -7.395) 9.536 1.489 ( 1.123 -1.091 2.058) 2.586 1.489 ( 1.123 1.091 2.058) 2.586 1.576 ( -1.483 -2.229 -1.012) 2.862 1.576 ( -1.483 2.229 -1.012) 2.862 1.731 ( 1.229 -6.877 -3.718) 7.914 1.731 ( 1.229 6.877 -3.718) 7.914 1.831 ( 1.493 -2.019 1.953) 3.181 1.831 ( 1.493 2.019 1.953) 3.181 1.874 ( -2.886 -2.152 -0.638) 3.656 1.874 ( -2.886 2.152 -0.638) 3.656 2.037 ( 1.371 -3.963 3.179) 5.262 2.037 ( 1.371 3.963 3.179) 5.262 2.079 ( 1.702 -2.568 -0.943) 3.222 2.079 ( 1.702 2.568 -0.943) 3.222 2.176 ( 0.977 -2.139 -0.871) 2.508 2.176 ( 0.977 2.139 -0.871) 2.508 2.260 ( 0.614 -2.396 0.124) 2.476 2.260 ( 0.614 2.396 0.124) 2.476 2.365 ( 1.557 -2.518 3.075) 4.269 2.365 ( 1.557 2.518 3.075) 4.269 2.444 ( 3.354 -2.253 2.867) 4.954 2.444 ( 3.354 2.253 2.867) 4.954 2.511 ( -4.450 -5.564 2.934) 7.705 2.511 ( -4.450 5.564 2.934) 7.705 2.568 ( 1.674 -3.202 0.609) 3.664 2.568 ( 1.674 3.202 0.609) 3.664 2.703 ( -1.579 -4.504 -0.985) 4.873 2.703 ( -1.579 4.504 -0.985) 4.873 2.764 ( 1.054 -3.021 0.442) 3.230 2.764 ( 1.054 3.021 0.442) 3.230 2.835 ( -0.703 -4.897 -1.382) 5.137 2.835 ( -0.703 4.897 -1.382) 5.137 2.918 ( 0.945 -1.330 -1.493) 2.212 2.918 ( 0.945 1.330 -1.493) 2.212 2.968 ( -0.140 -3.907 -3.256) 5.087 2.968 ( -0.140 3.907 -3.256) 5.087 3.062 ( 1.844 -2.067 0.326) 2.789 3.062 ( 1.844 2.067 0.326) 2.789 3.113 ( -2.128 -4.299 -2.333) 5.335 3.113 ( -2.128 4.299 -2.333) 5.335 3.189 ( 2.237 -0.423 -0.865) 2.435 3.189 ( 2.237 0.423 -0.865) 2.435 3.293 ( 4.449 -1.907 0.834) 4.912 3.293 ( 4.449 1.907 0.834) 4.912 3.364 ( -0.082 -1.309 1.701) 2.147 3.364 ( -0.082 1.309 1.701) 2.147 3.422 ( 0.922 -0.982 -1.669) 2.144 3.422 ( 0.922 0.982 -1.669) 2.144 3.492 ( -0.331 -1.151 1.379) 1.826 3.492 ( -0.331 1.151 1.379) 1.826 3.590 ( 1.276 -0.916 0.767) 1.748 3.590 ( 1.276 0.916 0.767) 1.748 3.633 ( -0.831 -1.602 0.791) 1.970 3.633 ( -0.831 1.602 0.791) 1.970 3.737 ( -1.253 -3.354 -4.182) 5.505 3.737 ( -1.253 3.354 -4.182) 5.505 3.807 ( -0.658 -1.167 -0.502) 1.430 3.807 ( -0.658 1.167 -0.502) 1.430 3.943 ( -1.885 -1.224 1.441) 2.669 3.943 ( -1.885 1.224 1.441) 2.669 4.115 ( 0.463 -1.615 -0.353) 1.717 4.115 ( 0.463 1.615 -0.353) 1.717 4.189 ( -2.249 -3.022 1.282) 3.979 4.189 ( -2.249 3.022 1.282) 3.979 4.487 ( 0.206 -4.312 0.074) 4.318 4.487 ( 0.206 4.312 0.074) 4.318 4.565 ( 1.640 -2.430 0.098) 2.934 4.565 ( 1.640 2.430 0.098) 2.934 4.656 ( -0.506 -2.543 0.642) 2.672 4.656 ( -0.506 2.543 0.642) 2.672 4.717 ( -0.325 -3.329 1.993) 3.894 4.717 ( -0.325 3.329 1.993) 3.894 4.797 ( 0.269 -4.438 0.412) 4.465 4.797 ( 0.269 4.438 0.412) 4.465 4.882 ( 0.279 -4.015 -0.821) 4.108 4.882 ( 0.279 4.015 -0.821) 4.108 4.949 ( -0.658 -0.970 1.028) 1.559 4.949 ( -0.658 0.970 1.028) 1.559 5.027 ( -0.298 -1.567 -1.714) 2.341 5.027 ( -0.298 1.567 -1.714) 2.341 5.200 ( -1.817 -3.499 0.689) 4.003 5.200 ( -1.817 3.499 0.689) 4.003 5.361 ( -0.283 -2.976 -0.710) 3.072 5.361 ( -0.283 2.976 -0.710) 3.072 5.804 ( -0.033 -2.916 -0.663) 2.990 5.804 ( -0.033 2.916 -0.663) 2.990 5.851 ( -0.266 -2.719 0.821) 2.852 5.851 ( -0.266 2.719 0.821) 2.852 8.466 ( 0.216 -1.314 0.095) 1.335 8.466 ( 0.216 1.314 0.095) 1.335 8.509 ( -0.116 -1.582 -0.050) 1.587 8.509 ( -0.116 1.582 -0.050) 1.587 9.598 ( 0.103 -3.905 -0.284) 3.917 9.598 ( 0.103 3.905 -0.284) 3.917 9.612 ( -0.082 -3.248 0.195) 3.255 9.612 ( -0.082 3.248 0.195) 3.255 10.165 ( -0.243 -1.604 0.133) 1.627 10.165 ( -0.243 1.604 0.133) 1.627 10.208 ( -0.340 -1.591 -0.369) 1.669 10.208 ( -0.340 1.591 -0.369) 1.669 10.514 ( 0.106 -3.347 0.420) 3.375 10.514 ( 0.106 3.347 0.420) 3.375 10.542 ( 0.230 -2.581 -0.139) 2.595 10.542 ( 0.230 2.581 -0.139) 2.595 10.784 ( 1.083 -3.512 1.065) 3.826 10.784 ( 1.083 3.512 1.065) 3.826 10.945 ( 1.973 -8.216 -1.047) 8.514 10.945 ( 1.973 8.216 -1.047) 8.514 11.364 ( -1.873 -4.179 -1.000) 4.687 11.364 ( -1.873 4.179 -1.000) 4.687 11.392 ( 0.382 -4.177 1.028) 4.318 11.392 ( 0.382 4.177 1.028) 4.318 12.743 ( -0.047 -0.930 0.045) 0.932 12.743 ( -0.047 0.930 0.045) 0.932 12.752 ( -0.085 -0.840 -0.046) 0.845 12.752 ( -0.085 0.840 -0.046) 0.845 ======================= Grid point 57 (31/54) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -8.542 -3.116 -7.997) 12.109 1.010 ( -8.542 3.116 -7.997) 12.109 1.150 ( -5.743 -7.650 1.345) 9.660 1.150 ( -5.743 7.650 1.345) 9.660 1.376 ( -5.494 -3.714 -4.051) 7.771 1.376 ( -5.494 3.714 -4.051) 7.771 1.624 ( 0.030 -6.293 0.244) 6.298 1.624 ( 0.030 6.293 0.244) 6.298 1.703 ( 1.715 -5.530 -2.920) 6.484 1.703 ( 1.715 5.530 -2.920) 6.484 1.818 ( 1.291 -2.362 -1.829) 3.255 1.818 ( 1.291 2.362 -1.829) 3.255 1.883 ( -1.245 -3.114 2.654) 4.277 1.883 ( -1.245 3.114 2.654) 4.277 2.014 ( -1.750 -4.767 -1.317) 5.246 2.014 ( -1.750 4.767 -1.317) 5.246 2.155 ( 2.129 -3.922 0.332) 4.475 2.155 ( 2.129 3.922 0.332) 4.475 2.206 ( 0.393 -3.537 0.991) 3.694 2.206 ( 0.393 3.537 0.991) 3.694 2.283 ( 1.266 -0.423 2.870) 3.165 2.283 ( 1.266 0.423 2.870) 3.165 2.415 ( -1.730 -3.744 4.121) 5.830 2.415 ( -1.730 3.744 4.121) 5.830 2.457 ( -1.270 -2.841 2.719) 4.133 2.457 ( -1.270 2.841 2.719) 4.133 2.517 ( 0.653 -0.428 0.538) 0.948 2.517 ( 0.653 0.428 0.538) 0.948 2.567 ( -2.778 -4.354 3.301) 6.129 2.567 ( -2.778 4.354 3.301) 6.129 2.680 ( -2.702 -2.165 -1.107) 3.635 2.680 ( -2.702 2.165 -1.107) 3.635 2.740 ( -0.391 -1.047 -4.015) 4.168 2.740 ( -0.391 1.047 -4.015) 4.168 2.817 ( 0.377 -2.576 -0.606) 2.673 2.817 ( 0.377 2.576 -0.606) 2.673 2.912 ( -0.289 -4.171 -1.290) 4.375 2.912 ( -0.289 4.171 -1.290) 4.375 2.933 ( 0.552 -4.864 -1.600) 5.150 2.933 ( 0.552 4.864 -1.600) 5.150 3.034 ( -0.889 -2.670 -1.060) 3.007 3.034 ( -0.889 2.670 -1.060) 3.007 3.105 ( 1.968 -1.830 -1.516) 3.085 3.105 ( 1.968 1.830 -1.516) 3.085 3.215 ( 1.087 -2.367 -0.125) 2.608 3.215 ( 1.087 2.367 -0.125) 2.608 3.373 ( 1.361 -1.527 -0.686) 2.158 3.373 ( 1.361 1.527 -0.686) 2.158 3.384 ( 0.345 -0.730 0.483) 0.941 3.384 ( 0.345 0.730 0.483) 0.941 3.420 ( 2.374 -1.090 2.845) 3.863 3.420 ( 2.374 1.090 2.845) 3.863 3.497 ( -1.360 -1.168 2.175) 2.818 3.497 ( -1.360 1.168 2.175) 2.818 3.595 ( -0.934 -1.913 -2.286) 3.124 3.595 ( -0.934 1.913 -2.286) 3.124 3.674 ( 2.353 -1.899 -1.486) 3.369 3.674 ( 2.353 1.899 -1.486) 3.369 3.711 ( 2.156 -4.830 1.498) 5.497 3.711 ( 2.156 4.830 1.498) 5.497 3.807 ( 2.065 -1.532 -1.731) 3.100 3.807 ( 2.065 1.532 -1.731) 3.100 3.920 ( -1.141 -0.635 -0.386) 1.362 3.920 ( -1.141 0.635 -0.386) 1.362 4.123 ( 0.560 -2.190 0.205) 2.270 4.123 ( 0.560 2.190 0.205) 2.270 4.181 ( 0.213 -0.689 0.982) 1.218 4.181 ( 0.213 0.689 0.982) 1.218 4.456 ( -2.996 -3.246 -0.217) 4.422 4.456 ( -2.996 3.246 -0.217) 4.422 4.593 ( 1.542 -3.728 -0.430) 4.057 4.593 ( 1.542 3.728 -0.430) 4.057 4.668 ( -0.167 -2.488 2.481) 3.518 4.668 ( -0.167 2.488 2.481) 3.518 4.727 ( -0.838 -3.388 2.532) 4.312 4.727 ( -0.838 3.388 2.532) 4.312 4.800 ( 0.056 -4.316 -0.197) 4.321 4.800 ( 0.056 4.316 -0.197) 4.321 4.880 ( 0.177 -3.796 -0.583) 3.844 4.880 ( 0.177 3.796 -0.583) 3.844 4.948 ( -1.035 -2.958 0.139) 3.137 4.948 ( -1.035 2.958 0.139) 3.137 5.007 ( 0.443 -2.106 -1.620) 2.694 5.007 ( 0.443 2.106 -1.620) 2.694 5.175 ( -1.468 -3.182 -0.013) 3.505 5.175 ( -1.468 3.182 -0.013) 3.505 5.354 ( 0.363 -2.817 -0.828) 2.959 5.354 ( 0.363 2.817 -0.828) 2.959 5.797 ( -0.221 -2.848 -0.584) 2.916 5.797 ( -0.221 2.848 -0.584) 2.916 5.858 ( 0.277 -2.070 0.740) 2.216 5.858 ( 0.277 2.070 0.740) 2.216 8.471 ( 0.216 -1.562 0.214) 1.591 8.471 ( 0.216 1.562 0.214) 1.591 8.506 ( -0.182 -1.615 -0.128) 1.630 8.506 ( -0.182 1.615 -0.128) 1.630 9.597 ( 0.015 -5.361 -0.285) 5.369 9.597 ( 0.015 5.361 -0.285) 5.369 9.613 ( -0.022 -5.185 0.176) 5.188 9.613 ( -0.022 5.185 0.176) 5.188 10.170 ( 0.274 -1.757 0.295) 1.803 10.170 ( 0.274 1.757 0.295) 1.803 10.203 ( 0.509 -1.277 -0.539) 1.476 10.203 ( 0.509 1.277 -0.539) 1.476 10.515 ( -0.413 -2.400 0.353) 2.460 10.515 ( -0.413 2.400 0.353) 2.460 10.548 ( 0.424 -1.757 0.036) 1.808 10.548 ( 0.424 1.757 0.036) 1.808 10.803 ( -0.522 -3.851 1.806) 4.286 10.803 ( -0.522 3.851 1.806) 4.286 10.931 ( -2.108 -8.170 -1.669) 8.601 10.931 ( -2.108 8.170 -1.669) 8.601 11.339 ( -0.191 -2.898 -0.486) 2.945 11.339 ( -0.191 2.898 -0.486) 2.945 11.440 ( 4.257 -2.605 0.956) 5.081 11.440 ( 4.257 2.605 0.956) 5.081 12.745 ( 0.152 -0.938 0.095) 0.955 12.745 ( 0.152 0.938 0.095) 0.955 12.751 ( 0.062 -0.865 -0.082) 0.871 12.751 ( 0.062 0.865 -0.082) 0.871 ======================= Grid point 59 (32/54) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -10.681 -12.782 -4.091) 17.152 0.772 ( -10.681 12.782 -4.091) 17.152 1.026 ( -12.390 -12.517 4.185) 18.102 1.026 ( -12.390 12.517 4.185) 18.102 1.290 ( -2.894 -4.681 -0.262) 5.509 1.290 ( -2.894 4.681 -0.262) 5.509 1.638 ( 2.518 -10.734 1.215) 11.092 1.638 ( 2.518 10.734 1.215) 11.092 1.728 ( 1.422 -3.045 -0.564) 3.408 1.728 ( 1.422 3.045 -0.564) 3.408 1.809 ( -0.188 -2.059 -3.076) 3.706 1.809 ( -0.188 2.059 -3.076) 3.706 1.866 ( -0.862 -3.563 -1.360) 3.910 1.866 ( -0.862 3.563 -1.360) 3.910 1.986 ( -2.229 -6.611 2.237) 7.327 1.986 ( -2.229 6.611 2.237) 7.327 2.103 ( -6.044 -5.079 -3.538) 8.651 2.103 ( -6.044 5.079 -3.538) 8.651 2.201 ( -0.951 -3.484 0.696) 3.678 2.201 ( -0.951 3.484 0.696) 3.678 2.311 ( -0.154 -1.692 1.672) 2.383 2.311 ( -0.154 1.692 1.672) 2.383 2.396 ( -4.929 -6.506 0.057) 8.163 2.396 ( -4.929 6.506 0.057) 8.163 2.439 ( -2.358 -5.549 1.086) 6.126 2.439 ( -2.358 5.549 1.086) 6.126 2.510 ( -0.820 -1.659 0.763) 2.001 2.510 ( -0.820 1.659 0.763) 2.001 2.571 ( -1.824 -2.801 3.353) 4.735 2.571 ( -1.824 2.801 3.353) 4.735 2.587 ( -1.287 -6.283 -2.569) 6.909 2.587 ( -1.287 6.283 -2.569) 6.909 2.776 ( 3.243 -0.789 0.670) 3.404 2.776 ( 3.243 0.789 0.670) 3.404 2.820 ( 0.820 -0.589 1.162) 1.539 2.820 ( 0.820 0.589 1.162) 1.539 2.914 ( 1.916 -2.144 -0.078) 2.876 2.914 ( 1.916 2.144 -0.078) 2.876 2.965 ( 2.519 -2.796 0.485) 3.795 2.965 ( 2.519 2.796 0.485) 3.795 3.030 ( 0.888 -2.620 -0.826) 2.887 3.030 ( 0.888 2.620 -0.826) 2.887 3.126 ( 1.150 -1.785 -0.797) 2.268 3.126 ( 1.150 1.785 -0.797) 2.268 3.213 ( -0.202 -1.725 -2.266) 2.855 3.213 ( -0.202 1.725 -2.266) 2.855 3.341 ( -0.983 -1.251 -0.626) 1.709 3.341 ( -0.983 1.251 -0.626) 1.709 3.425 ( 0.599 -3.046 0.187) 3.110 3.425 ( 0.599 3.046 0.187) 3.110 3.454 ( -3.144 -2.787 -0.003) 4.201 3.454 ( -3.144 2.787 -0.003) 4.201 3.493 ( 0.602 -3.091 2.371) 3.942 3.493 ( 0.602 3.091 2.371) 3.942 3.560 ( 1.046 -2.171 -1.175) 2.681 3.560 ( 1.046 2.171 -1.175) 2.681 3.709 ( 2.337 -2.792 -2.636) 4.495 3.709 ( 2.337 2.792 -2.636) 4.495 3.731 ( 0.636 -3.983 -0.664) 4.087 3.731 ( 0.636 3.983 -0.664) 4.087 3.836 ( 1.401 -2.195 0.074) 2.605 3.836 ( 1.401 2.195 0.074) 2.605 3.925 ( 2.761 -2.347 -0.937) 3.743 3.925 ( 2.761 2.347 -0.937) 3.743 4.142 ( 1.298 -2.640 0.337) 2.961 4.142 ( 1.298 2.640 0.337) 2.961 4.203 ( 1.080 -1.872 0.686) 2.267 4.203 ( 1.080 1.872 0.686) 2.267 4.403 ( -3.115 -3.079 0.716) 4.438 4.403 ( -3.115 3.079 0.716) 4.438 4.613 ( 1.418 -3.403 -0.389) 3.707 4.613 ( 1.418 3.403 -0.389) 3.707 4.668 ( -2.441 -3.248 2.127) 4.586 4.668 ( -2.441 3.248 2.127) 4.586 4.750 ( 0.287 -1.262 3.425) 3.661 4.750 ( 0.287 1.262 3.425) 3.661 4.798 ( 0.253 -4.386 -0.697) 4.448 4.798 ( 0.253 4.386 -0.697) 4.448 4.859 ( -2.846 -4.218 -0.863) 5.161 4.859 ( -2.846 4.218 -0.863) 5.161 4.919 ( 0.225 -3.526 -2.216) 4.171 4.919 ( 0.225 3.526 -2.216) 4.171 5.019 ( 0.898 -3.446 0.639) 3.618 5.019 ( 0.898 3.446 0.639) 3.618 5.157 ( -1.057 -1.989 0.893) 2.423 5.157 ( -1.057 1.989 0.893) 2.423 5.359 ( 0.957 -2.703 -0.481) 2.907 5.359 ( 0.957 2.703 -0.481) 2.907 5.787 ( -0.320 -2.351 -0.480) 2.421 5.787 ( -0.320 2.351 -0.480) 2.421 5.874 ( 0.773 -0.910 0.676) 1.372 5.874 ( 0.773 0.910 0.676) 1.372 8.477 ( 0.219 -2.046 0.066) 2.058 8.477 ( 0.219 2.046 0.066) 2.058 8.502 ( -0.070 -1.848 -0.047) 1.850 8.502 ( -0.070 1.848 -0.047) 1.850 9.594 ( -0.054 -7.625 -0.200) 7.628 9.594 ( -0.054 7.625 -0.200) 7.628 9.615 ( 0.060 -8.068 0.145) 8.070 9.615 ( 0.060 8.068 0.145) 8.070 10.171 ( -0.094 -1.661 -0.133) 1.669 10.171 ( -0.094 1.661 -0.133) 1.669 10.223 ( 2.111 -1.810 -0.109) 2.783 10.223 ( 2.111 1.810 -0.109) 2.783 10.510 ( -0.514 -2.053 0.437) 2.161 10.510 ( -0.514 2.053 0.437) 2.161 10.551 ( -0.056 -1.860 -0.325) 1.889 10.551 ( -0.056 1.860 -0.325) 1.889 10.797 ( -1.970 -3.844 1.430) 4.550 10.797 ( -1.970 3.844 1.430) 4.550 10.857 ( -4.499 -6.475 -1.497) 8.025 10.857 ( -4.499 6.475 -1.497) 8.025 11.344 ( 0.768 -5.292 0.034) 5.347 11.344 ( 0.768 5.292 0.034) 5.347 11.545 ( 7.667 -2.475 -0.426) 8.068 11.545 ( 7.667 2.475 -0.426) 8.068 12.749 ( 0.212 -0.613 -0.004) 0.649 12.749 ( 0.212 0.613 -0.004) 0.649 12.752 ( 0.185 -0.592 -0.018) 0.621 12.752 ( 0.185 0.592 -0.018) 0.621 ======================= Grid point 61 (33/54) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -6.590 -15.854 9.341) 19.546 0.646 ( -6.590 15.854 9.341) 19.546 0.885 ( -9.286 -14.257 9.375) 19.426 0.885 ( -9.286 14.257 9.375) 19.426 1.252 ( -2.258 -4.469 0.609) 5.044 1.252 ( -2.258 4.469 0.609) 5.044 1.637 ( -3.241 -8.845 -2.732) 9.809 1.637 ( -3.241 8.845 -2.732) 9.809 1.742 ( 0.278 -3.652 1.036) 3.807 1.742 ( 0.278 3.652 1.036) 3.807 1.808 ( -1.456 -2.703 1.059) 3.248 1.808 ( -1.456 2.703 1.059) 3.248 1.845 ( 2.580 -6.294 -0.014) 6.802 1.845 ( 2.580 6.294 -0.014) 6.802 1.968 ( -2.761 -0.350 0.481) 2.824 1.968 ( -2.761 0.350 0.481) 2.824 2.008 ( 0.643 -13.996 -0.261) 14.013 2.008 ( 0.643 13.996 -0.261) 14.013 2.172 ( -1.851 -2.055 -0.481) 2.807 2.172 ( -1.851 2.055 -0.481) 2.807 2.304 ( -4.116 -5.177 0.928) 6.678 2.304 ( -4.116 5.177 0.928) 6.678 2.335 ( 0.666 -1.057 -2.524) 2.816 2.335 ( 0.666 1.057 -2.524) 2.816 2.404 ( -1.110 -2.874 0.092) 3.082 2.404 ( -1.110 2.874 0.092) 3.082 2.462 ( -3.220 -1.940 -0.677) 3.819 2.462 ( -3.220 1.940 -0.677) 3.819 2.574 ( 0.826 -1.670 0.370) 1.899 2.574 ( 0.826 1.670 0.370) 1.899 2.621 ( 0.771 -11.607 4.454) 12.456 2.621 ( 0.771 11.607 4.454) 12.456 2.781 ( 0.202 -2.514 -0.072) 2.524 2.781 ( 0.202 2.514 -0.072) 2.524 2.908 ( 4.699 -3.870 0.480) 6.106 2.908 ( 4.699 3.870 0.480) 6.106 2.937 ( 0.874 -2.061 -1.892) 2.931 2.937 ( 0.874 2.061 -1.892) 2.931 2.995 ( 0.035 -4.438 0.002) 4.438 2.995 ( 0.035 4.438 0.002) 4.438 3.036 ( -0.072 -1.444 0.815) 1.660 3.036 ( -0.072 1.444 0.815) 1.660 3.117 ( -0.190 -3.682 -1.317) 3.915 3.117 ( -0.190 3.682 -1.317) 3.915 3.190 ( -0.412 -2.679 -1.111) 2.929 3.190 ( -0.412 2.679 -1.111) 2.929 3.316 ( -1.387 -3.611 -1.655) 4.207 3.316 ( -1.387 3.611 -1.655) 4.207 3.365 ( -4.191 -2.560 -2.989) 5.749 3.365 ( -4.191 2.560 -2.989) 5.749 3.409 ( -0.196 -2.953 -2.006) 3.575 3.409 ( -0.196 2.953 -2.006) 3.575 3.535 ( 0.625 -2.042 1.752) 2.762 3.535 ( 0.625 2.042 1.752) 2.762 3.587 ( 1.703 -1.219 -1.136) 2.382 3.587 ( 1.703 1.219 -1.136) 2.382 3.684 ( -0.182 -0.531 0.113) 0.573 3.684 ( -0.182 0.531 0.113) 0.573 3.769 ( 3.118 -1.770 -1.279) 3.806 3.769 ( 3.118 1.770 -1.279) 3.806 3.862 ( 1.991 -1.333 -0.301) 2.415 3.862 ( 1.991 1.333 -0.301) 2.415 3.968 ( 2.051 -3.533 0.736) 4.151 3.968 ( 2.051 3.533 0.736) 4.151 4.151 ( -1.057 -0.062 0.004) 1.059 4.151 ( -1.057 0.062 0.004) 1.059 4.227 ( 1.962 -4.230 -0.453) 4.685 4.227 ( 1.962 4.230 -0.453) 4.685 4.376 ( -1.776 -2.646 1.736) 3.628 4.376 ( -1.776 2.646 1.736) 3.628 4.621 ( -1.242 -2.457 0.099) 2.755 4.621 ( -1.242 2.457 0.099) 2.755 4.647 ( -0.677 -5.284 1.051) 5.430 4.647 ( -0.677 5.284 1.051) 5.430 4.753 ( -2.103 -1.815 -2.384) 3.661 4.753 ( -2.103 1.815 -2.384) 3.661 4.789 ( -1.722 -6.852 -0.934) 7.126 4.789 ( -1.722 6.852 -0.934) 7.126 4.824 ( 0.878 -1.757 3.663) 4.157 4.824 ( 0.878 1.757 3.663) 4.157 4.921 ( 1.128 -1.813 -0.715) 2.252 4.921 ( 1.128 1.813 -0.715) 2.252 5.034 ( 0.058 -4.387 0.775) 4.455 5.034 ( 0.058 4.387 0.775) 4.455 5.163 ( -0.465 -0.577 3.230) 3.314 5.163 ( -0.465 0.577 3.230) 3.314 5.374 ( 0.890 -2.598 -0.116) 2.748 5.374 ( 0.890 2.598 -0.116) 2.748 5.781 ( 0.073 -2.086 -0.003) 2.088 5.781 ( 0.073 2.086 -0.003) 2.088 5.892 ( 0.630 -0.591 0.398) 0.951 5.892 ( 0.630 0.591 0.398) 0.951 8.478 ( 0.089 -1.958 -0.252) 1.976 8.478 ( 0.089 1.958 -0.252) 1.976 8.506 ( 0.372 -2.045 0.202) 2.089 8.506 ( 0.372 2.045 0.202) 2.089 9.592 ( -0.052 -8.620 -0.095) 8.621 9.592 ( -0.052 8.620 -0.095) 8.621 9.616 ( -0.002 -9.320 0.045) 9.320 9.616 ( -0.002 9.320 0.045) 9.320 10.170 ( 0.129 -2.123 0.142) 2.131 10.170 ( 0.129 2.123 0.142) 2.131 10.261 ( 2.353 -2.151 -0.399) 3.213 10.261 ( 2.353 2.151 -0.399) 3.213 10.508 ( -0.293 -3.124 0.418) 3.165 10.508 ( -0.293 3.124 0.418) 3.165 10.536 ( -0.975 -3.174 -0.739) 3.402 10.536 ( -0.975 3.174 -0.739) 3.402 10.757 ( -2.861 -3.615 -0.673) 4.659 10.757 ( -2.861 3.615 -0.673) 4.659 10.789 ( -2.637 -3.543 0.479) 4.443 10.789 ( -2.637 3.543 0.479) 4.443 11.360 ( 0.712 -6.703 0.534) 6.762 11.360 ( 0.712 6.703 0.534) 6.762 11.654 ( 6.548 -0.533 -4.039) 7.712 11.654 ( 6.548 0.533 -4.039) 7.712 12.751 ( 0.143 -0.160 -0.122) 0.247 12.751 ( 0.143 0.160 -0.122) 0.247 12.756 ( 0.126 -0.138 0.040) 0.191 12.756 ( 0.126 0.138 0.040) 0.191 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -7.575 0.000 17.657) 19.213 0.776 ( -4.581 0.000 14.686) 15.384 1.033 ( 8.019 0.000 -7.727) 11.136 1.067 ( 4.569 0.000 -14.795) 15.484 1.326 ( -2.747 0.000 4.478) 5.253 1.386 ( -3.632 0.000 0.745) 3.708 1.456 ( 2.186 0.000 4.458) 4.965 1.475 ( 2.348 0.000 19.480) 19.621 1.603 ( 2.295 0.000 -0.338) 2.319 1.719 ( 0.456 0.000 7.471) 7.485 1.829 ( -2.089 0.000 4.978) 5.398 1.854 ( -3.996 0.000 -1.177) 4.165 1.863 ( 3.187 0.000 -1.522) 3.532 1.879 ( 0.284 0.000 -3.546) 3.557 1.918 ( 1.615 0.000 4.142) 4.446 1.987 ( -2.640 0.000 -1.973) 3.295 2.112 ( 2.752 0.000 6.012) 6.612 2.115 ( 2.899 0.000 -2.321) 3.714 2.149 ( -2.100 0.000 -2.900) 3.580 2.189 ( 0.228 0.000 2.304) 2.315 2.277 ( -0.958 0.000 -2.251) 2.446 2.279 ( -1.187 0.000 -4.678) 4.826 2.357 ( -1.162 0.000 0.077) 1.165 2.368 ( 7.181 0.000 0.418) 7.194 2.424 ( -1.043 0.000 0.755) 1.287 2.426 ( -0.224 0.000 3.451) 3.458 2.467 ( -1.563 0.000 -1.674) 2.290 2.552 ( -0.598 0.000 -3.454) 3.506 2.608 ( -5.868 0.000 3.427) 6.796 2.645 ( 1.108 0.000 -1.617) 1.960 2.650 ( -0.033 0.000 -4.361) 4.361 2.659 ( 5.132 0.000 1.105) 5.250 2.675 ( -2.498 0.000 -2.596) 3.602 2.682 ( 0.507 0.000 -4.130) 4.161 2.726 ( 0.682 0.000 -3.838) 3.898 2.774 ( -4.148 0.000 -4.882) 6.406 2.877 ( 1.241 0.000 -0.303) 1.278 2.918 ( -2.545 0.000 -3.488) 4.318 3.000 ( -0.641 0.000 2.629) 2.706 3.039 ( 0.521 0.000 -0.807) 0.960 3.105 ( 3.046 0.000 0.227) 3.055 3.126 ( 3.083 0.000 -0.119) 3.085 3.150 ( -7.538 0.000 -0.684) 7.569 3.161 ( 1.426 0.000 -1.298) 1.928 3.220 ( -3.094 0.000 5.158) 6.015 3.243 ( 2.707 0.000 1.799) 3.250 3.280 ( 1.206 0.000 -0.188) 1.220 3.305 ( 1.628 0.000 -0.022) 1.628 3.372 ( -1.157 0.000 -0.547) 1.279 3.382 ( -2.090 0.000 1.745) 2.723 3.427 ( 0.364 0.000 -5.493) 5.505 3.439 ( 0.181 0.000 -1.531) 1.541 3.483 ( -1.640 0.000 1.172) 2.016 3.485 ( 3.492 0.000 -1.302) 3.727 3.554 ( -3.411 0.000 0.414) 3.436 3.574 ( 6.089 0.000 -0.978) 6.167 3.727 ( 2.325 0.000 2.467) 3.390 3.742 ( -4.354 0.000 1.693) 4.671 3.775 ( 3.618 0.000 1.406) 3.881 3.844 ( 1.979 0.000 -0.645) 2.081 3.844 ( 1.056 0.000 -4.692) 4.810 3.864 ( -3.178 0.000 -2.116) 3.818 3.898 ( 5.440 0.000 4.210) 6.878 3.961 ( -3.325 0.000 -1.509) 3.651 3.998 ( -4.813 0.000 2.646) 5.492 4.062 ( 2.325 0.000 -3.407) 4.125 4.174 ( -1.656 0.000 0.163) 1.664 4.214 ( 0.256 0.000 -3.184) 3.194 4.285 ( 4.005 0.000 4.475) 6.006 4.359 ( -3.237 0.000 -1.955) 3.781 4.538 ( 0.006 0.000 0.342) 0.342 4.570 ( -1.086 0.000 -3.203) 3.382 4.595 ( 0.450 0.000 2.207) 2.252 4.639 ( 0.758 0.000 1.281) 1.489 4.670 ( 1.540 0.000 -2.194) 2.680 4.682 ( -4.023 0.000 0.123) 4.025 4.785 ( 2.008 0.000 0.590) 2.093 4.806 ( -0.427 0.000 -1.739) 1.791 4.874 ( -1.311 0.000 3.505) 3.742 4.911 ( -1.432 0.000 4.097) 4.340 4.947 ( 1.272 0.000 -1.996) 2.367 4.990 ( 2.258 0.000 -1.875) 2.935 5.144 ( -1.350 0.000 0.959) 1.656 5.166 ( 0.332 0.000 -1.011) 1.064 5.271 ( -0.310 0.000 1.882) 1.907 5.298 ( 0.501 0.000 -0.328) 0.599 5.578 ( 2.474 0.000 6.036) 6.524 5.668 ( -2.136 0.000 -2.284) 3.127 5.713 ( 0.080 0.000 0.796) 0.800 5.743 ( -0.033 0.000 -1.759) 1.759 5.905 ( 1.399 0.000 2.041) 2.474 5.964 ( -3.956 0.000 -3.535) 5.305 8.421 ( -0.509 0.000 0.101) 0.519 8.426 ( 0.354 0.000 -0.393) 0.529 8.545 ( 0.167 0.000 0.537) 0.562 8.554 ( -0.187 0.000 -0.322) 0.372 9.374 ( 0.187 0.000 0.062) 0.197 9.376 ( -0.151 0.000 -0.139) 0.205 9.881 ( 0.251 0.000 0.411) 0.482 9.889 ( -0.251 0.000 -0.396) 0.469 10.180 ( -0.245 0.000 0.135) 0.280 10.185 ( 0.032 0.000 -0.336) 0.338 10.275 ( 0.349 0.000 1.549) 1.588 10.291 ( -0.137 0.000 0.152) 0.205 10.295 ( 0.134 0.000 -0.177) 0.222 10.303 ( 0.038 0.000 -1.061) 1.061 10.592 ( 0.395 0.000 0.617) 0.733 10.608 ( -0.461 0.000 -0.931) 1.039 10.661 ( 0.342 0.000 0.082) 0.352 10.663 ( -0.293 0.000 -0.070) 0.301 10.803 ( 5.494 0.000 0.864) 5.562 10.820 ( -4.035 0.000 -0.758) 4.106 11.176 ( 0.023 0.000 0.371) 0.372 11.184 ( -0.056 0.000 -0.395) 0.399 11.555 ( 0.128 0.000 1.072) 1.080 11.586 ( -0.141 0.000 -1.794) 1.800 12.733 ( -0.118 0.000 0.012) 0.119 12.734 ( 0.122 0.000 -0.071) 0.142 12.774 ( 0.095 0.000 0.043) 0.104 12.774 ( -0.087 0.000 -0.022) 0.090 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.803 0.000 16.336) 16.575 0.916 ( 8.246 0.000 8.800) 12.060 1.043 ( 9.264 0.000 -15.097) 17.713 1.109 ( 8.781 0.000 -10.718) 13.856 1.394 ( 2.015 0.000 7.656) 7.916 1.415 ( 6.934 0.000 1.395) 7.073 1.520 ( 0.958 0.000 -6.304) 6.377 1.553 ( 4.801 0.000 4.149) 6.345 1.736 ( 3.910 0.000 -9.411) 10.190 1.761 ( 1.661 0.000 4.229) 4.543 1.818 ( 3.343 0.000 5.872) 6.757 1.870 ( 2.755 0.000 0.445) 2.790 1.876 ( 2.105 0.000 -1.131) 2.390 1.903 ( -0.795 0.000 -0.676) 1.044 1.975 ( 0.006 0.000 3.643) 3.643 1.980 ( 4.077 0.000 -3.675) 5.489 2.066 ( -2.606 0.000 -1.090) 2.825 2.135 ( 0.496 0.000 2.394) 2.445 2.170 ( -2.067 0.000 -8.278) 8.532 2.180 ( -2.920 0.000 4.499) 5.364 2.246 ( 1.232 0.000 -3.509) 3.719 2.258 ( 1.161 0.000 4.777) 4.916 2.289 ( -3.405 0.000 -2.387) 4.159 2.344 ( -5.995 0.000 -3.140) 6.768 2.418 ( -0.545 0.000 1.305) 1.414 2.436 ( -1.755 0.000 4.159) 4.513 2.475 ( -2.883 0.000 -2.276) 3.673 2.535 ( 0.464 0.000 3.275) 3.308 2.555 ( -3.660 0.000 0.024) 3.660 2.589 ( 5.445 0.000 2.875) 6.157 2.616 ( -0.504 0.000 0.178) 0.534 2.619 ( -2.509 0.000 -4.094) 4.802 2.689 ( 1.933 0.000 0.090) 1.935 2.765 ( 7.001 0.000 1.170) 7.098 2.794 ( 2.649 0.000 -4.518) 5.238 2.803 ( 4.714 0.000 3.923) 6.133 2.854 ( 0.928 0.000 1.751) 1.982 2.924 ( 2.058 0.000 2.098) 2.939 2.984 ( -7.805 0.000 -1.319) 7.916 3.002 ( -5.486 0.000 0.369) 5.499 3.003 ( -1.665 0.000 0.319) 1.695 3.101 ( -2.370 0.000 -0.630) 2.452 3.179 ( 3.433 0.000 -0.447) 3.462 3.187 ( 0.857 0.000 2.097) 2.265 3.205 ( -1.978 0.000 0.597) 2.066 3.275 ( 1.072 0.000 -0.478) 1.174 3.313 ( 1.170 0.000 -1.803) 2.149 3.339 ( 2.384 0.000 -2.593) 3.523 3.373 ( 0.203 0.000 2.159) 2.169 3.387 ( -1.078 0.000 3.810) 3.960 3.405 ( 1.785 0.000 -2.858) 3.370 3.432 ( 0.487 0.000 0.459) 0.669 3.476 ( 1.264 0.000 -1.595) 2.035 3.509 ( -0.859 0.000 -0.507) 0.997 3.539 ( 2.878 0.000 -1.955) 3.479 3.631 ( 2.134 0.000 -3.625) 4.207 3.690 ( -1.016 0.000 0.494) 1.130 3.739 ( -4.411 0.000 3.332) 5.528 3.749 ( -4.686 0.000 -3.608) 5.914 3.817 ( -1.644 0.000 -3.700) 4.049 3.830 ( 2.949 0.000 -1.717) 3.412 3.854 ( -3.109 0.000 3.188) 4.453 3.898 ( -0.380 0.000 -2.448) 2.477 3.976 ( 2.850 0.000 2.907) 4.071 4.050 ( 5.778 0.000 3.085) 6.550 4.088 ( 1.503 0.000 -1.472) 2.104 4.160 ( -0.274 0.000 2.944) 2.957 4.184 ( -1.621 0.000 -1.559) 2.249 4.269 ( -3.728 0.000 -3.620) 5.196 4.385 ( 2.434 0.000 2.365) 3.394 4.546 ( -0.301 0.000 2.229) 2.249 4.553 ( 1.099 0.000 -0.265) 1.131 4.622 ( -0.231 0.000 2.196) 2.208 4.635 ( 1.179 0.000 -3.142) 3.356 4.641 ( -0.218 0.000 -0.324) 0.391 4.723 ( 2.861 0.000 3.008) 4.152 4.793 ( 0.950 0.000 -1.862) 2.091 4.829 ( 3.007 0.000 -0.563) 3.060 4.879 ( -1.743 0.000 2.822) 3.317 4.899 ( -3.609 0.000 2.999) 4.692 4.943 ( 0.943 0.000 -2.575) 2.742 4.983 ( -0.106 0.000 -4.115) 4.116 5.126 ( -2.248 0.000 1.961) 2.983 5.157 ( -0.603 0.000 -0.241) 0.649 5.273 ( -1.510 0.000 1.214) 1.938 5.294 ( 0.050 0.000 -1.229) 1.230 5.531 ( -10.634 0.000 -2.784) 10.992 5.615 ( -4.306 0.000 4.277) 6.070 5.701 ( -1.907 0.000 -0.236) 1.922 5.705 ( -0.990 0.000 0.087) 0.994 5.906 ( 0.001 0.000 -0.746) 0.746 5.946 ( 0.083 0.000 2.315) 2.316 8.420 ( 0.383 0.000 0.269) 0.469 8.430 ( 0.328 0.000 -0.259) 0.418 8.544 ( -0.595 0.000 -0.332) 0.681 8.550 ( -0.119 0.000 0.381) 0.399 9.374 ( -0.025 0.000 -0.182) 0.184 9.381 ( 0.409 0.000 0.152) 0.437 9.880 ( -0.325 0.000 -0.391) 0.509 9.887 ( 0.050 0.000 0.381) 0.385 10.185 ( 0.482 0.000 0.041) 0.483 10.186 ( 0.255 0.000 0.067) 0.264 10.271 ( -1.508 0.000 -0.818) 1.715 10.275 ( -0.955 0.000 0.564) 1.109 10.306 ( 0.871 0.000 -0.661) 1.093 10.310 ( 1.268 0.000 0.465) 1.350 10.589 ( -0.748 0.000 -0.531) 0.918 10.596 ( -0.620 0.000 0.595) 0.859 10.674 ( 1.437 0.000 -0.204) 1.452 10.687 ( 2.443 0.000 0.160) 2.448 10.798 ( 2.371 0.000 0.373) 2.401 10.937 ( 8.810 0.000 -1.874) 9.007 11.182 ( 0.278 0.000 0.407) 0.493 11.183 ( 0.371 0.000 -0.365) 0.520 11.555 ( -1.608 0.000 -1.385) 2.122 11.556 ( -1.319 0.000 1.317) 1.864 12.729 ( -0.324 0.000 0.031) 0.326 12.733 ( -0.113 0.000 -0.042) 0.121 12.771 ( -0.239 0.000 -0.039) 0.242 12.774 ( -0.099 0.000 0.031) 0.103 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -2.174 0.000 14.296) 14.460 1.097 ( 12.107 0.000 -12.554) 17.441 1.099 ( 4.390 0.000 -14.136) 14.802 1.184 ( 15.915 0.000 4.037) 16.419 1.341 ( -9.371 0.000 -4.190) 10.265 1.576 ( 4.478 0.000 1.528) 4.731 1.592 ( 9.587 0.000 2.297) 9.859 1.676 ( 3.177 0.000 2.317) 3.932 1.729 ( 0.185 0.000 -4.833) 4.836 1.756 ( 2.876 0.000 -8.461) 8.936 1.788 ( 1.280 0.000 -5.262) 5.415 1.859 ( -2.158 0.000 -3.690) 4.275 1.915 ( 5.020 0.000 -6.318) 8.069 1.932 ( 2.883 0.000 -0.975) 3.043 1.981 ( -1.294 0.000 4.067) 4.268 1.985 ( 1.266 0.000 -3.928) 4.127 2.072 ( -2.819 0.000 -4.789) 5.557 2.091 ( 1.494 0.000 3.475) 3.782 2.149 ( 2.213 0.000 0.277) 2.230 2.166 ( -4.498 0.000 -1.144) 4.641 2.191 ( -0.239 0.000 3.849) 3.857 2.265 ( -3.117 0.000 4.245) 5.267 2.288 ( -2.154 0.000 4.171) 4.694 2.333 ( -0.032 0.000 4.368) 4.368 2.407 ( -1.149 0.000 -0.973) 1.505 2.464 ( -2.810 0.000 7.865) 8.351 2.477 ( 3.544 0.000 1.259) 3.761 2.518 ( 3.243 0.000 -0.695) 3.316 2.574 ( -3.946 0.000 3.749) 5.443 2.605 ( -0.367 0.000 2.804) 2.828 2.606 ( 6.056 0.000 -1.831) 6.327 2.703 ( 5.506 0.000 -1.032) 5.602 2.720 ( 1.388 0.000 0.384) 1.440 2.762 ( 0.017 0.000 -1.578) 1.578 2.836 ( -3.382 0.000 -0.899) 3.499 2.885 ( 0.825 0.000 1.725) 1.912 2.909 ( -0.889 0.000 -1.937) 2.131 2.914 ( -4.646 0.000 -1.312) 4.827 2.955 ( 4.452 0.000 5.035) 6.721 2.959 ( 0.090 0.000 0.592) 0.599 2.975 ( 3.128 0.000 4.059) 5.124 3.050 ( -3.380 0.000 0.015) 3.380 3.165 ( -2.073 0.000 -0.352) 2.102 3.213 ( -0.099 0.000 1.161) 1.165 3.246 ( -2.748 0.000 -1.079) 2.952 3.260 ( 2.032 0.000 -1.586) 2.578 3.299 ( 1.709 0.000 1.060) 2.011 3.329 ( 1.447 0.000 -4.859) 5.070 3.377 ( -2.072 0.000 2.316) 3.107 3.388 ( -0.148 0.000 0.732) 0.747 3.432 ( 1.249 0.000 0.107) 1.254 3.457 ( -0.373 0.000 2.570) 2.597 3.480 ( 2.121 0.000 -2.681) 3.419 3.502 ( -1.371 0.000 -6.040) 6.194 3.524 ( 1.816 0.000 -1.764) 2.532 3.624 ( 1.537 0.000 -0.721) 1.698 3.654 ( -3.737 0.000 -2.221) 4.347 3.693 ( -3.852 0.000 4.448) 5.884 3.724 ( 2.835 0.000 0.290) 2.849 3.771 ( 0.563 0.000 -2.791) 2.848 3.793 ( -4.398 0.000 2.974) 5.309 3.866 ( 0.618 0.000 -1.267) 1.410 3.895 ( 2.142 0.000 -3.040) 3.719 4.056 ( 0.292 0.000 1.564) 1.591 4.089 ( 0.146 0.000 0.310) 0.343 4.129 ( 0.582 0.000 -2.208) 2.283 4.159 ( 3.588 0.000 1.148) 3.767 4.198 ( -2.532 0.000 1.285) 2.839 4.210 ( 1.744 0.000 3.595) 3.996 4.378 ( -2.650 0.000 -1.089) 2.865 4.579 ( 0.701 0.000 0.496) 0.858 4.586 ( 0.647 0.000 3.226) 3.290 4.625 ( -0.432 0.000 1.400) 1.465 4.643 ( 2.985 0.000 -2.283) 3.758 4.652 ( -0.363 0.000 1.744) 1.782 4.798 ( 2.272 0.000 3.021) 3.780 4.801 ( 1.668 0.000 -1.817) 2.466 4.853 ( -1.213 0.000 0.266) 1.242 4.862 ( -3.539 0.000 3.066) 4.682 4.876 ( 1.486 0.000 -1.039) 1.814 4.920 ( -1.656 0.000 -5.101) 5.363 4.939 ( 1.577 0.000 -2.738) 3.159 5.105 ( -2.592 0.000 2.187) 3.391 5.143 ( -1.174 0.000 -0.318) 1.216 5.230 ( -4.098 0.000 0.307) 4.110 5.281 ( -0.174 0.000 -1.509) 1.519 5.369 ( -5.937 0.000 0.306) 5.945 5.514 ( -7.836 0.000 -1.237) 7.933 5.680 ( -0.559 0.000 -0.023) 0.559 5.699 ( -0.345 0.000 0.379) 0.512 5.919 ( 1.454 0.000 -0.327) 1.490 5.950 ( -0.430 0.000 0.376) 0.572 8.436 ( 0.811 0.000 -0.084) 0.815 8.437 ( 1.163 0.000 0.252) 1.190 8.531 ( -0.718 0.000 -0.032) 0.718 8.547 ( -0.471 0.000 0.046) 0.474 9.373 ( 0.013 0.000 -0.041) 0.043 9.387 ( 0.086 0.000 0.086) 0.122 9.874 ( -0.079 0.000 -0.238) 0.251 9.888 ( -0.235 0.000 0.193) 0.304 10.189 ( 0.277 0.000 -0.544) 0.610 10.198 ( 0.897 0.000 0.404) 0.984 10.232 ( -1.880 0.000 -1.145) 2.201 10.262 ( -0.983 0.000 0.238) 1.011 10.322 ( 1.422 0.000 0.027) 1.422 10.340 ( 1.503 0.000 0.676) 1.648 10.576 ( -0.499 0.000 -0.192) 0.535 10.584 ( -1.171 0.000 0.346) 1.221 10.702 ( 1.980 0.000 -0.025) 1.980 10.732 ( 2.467 0.000 -0.017) 2.467 10.887 ( 4.067 0.000 4.609) 6.147 11.035 ( 5.901 0.000 -3.175) 6.701 11.189 ( 0.684 0.000 -0.350) 0.768 11.190 ( 0.158 0.000 0.331) 0.367 11.517 ( -1.594 0.000 -0.649) 1.721 11.537 ( -2.105 0.000 1.057) 2.356 12.724 ( -0.314 0.000 0.070) 0.322 12.730 ( -0.225 0.000 -0.055) 0.232 12.767 ( -0.210 0.000 -0.006) 0.210 12.771 ( -0.203 0.000 0.001) 0.203 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -5.312 0.000 13.052) 14.092 1.055 ( 6.575 0.000 -12.748) 14.344 1.077 ( -16.277 0.000 -3.654) 16.682 1.191 ( 10.785 0.000 -10.673) 15.173 1.480 ( 13.344 0.000 3.361) 13.761 1.521 ( -9.624 0.000 -1.546) 9.747 1.557 ( 1.156 0.000 -8.449) 8.528 1.679 ( -4.889 0.000 -3.732) 6.151 1.754 ( -0.024 0.000 1.307) 1.307 1.799 ( 6.441 0.000 1.834) 6.697 1.828 ( 3.717 0.000 0.322) 3.731 1.908 ( 8.900 0.000 0.620) 8.922 1.930 ( -2.079 0.000 0.581) 2.158 1.942 ( 3.140 0.000 -7.556) 8.183 1.963 ( -6.285 0.000 3.308) 7.102 1.971 ( -4.599 0.000 -2.770) 5.369 2.002 ( 4.244 0.000 -3.405) 5.441 2.036 ( -4.620 0.000 -2.456) 5.232 2.141 ( -0.606 0.000 -0.555) 0.822 2.165 ( -0.013 0.000 1.689) 1.689 2.249 ( 1.558 0.000 4.680) 4.932 2.328 ( 0.568 0.000 6.962) 6.985 2.336 ( 3.984 0.000 4.557) 6.053 2.374 ( 0.177 0.000 -2.595) 2.601 2.378 ( 4.848 0.000 2.809) 5.603 2.438 ( -6.212 0.000 3.231) 7.002 2.530 ( 2.514 0.000 -2.599) 3.616 2.539 ( -3.708 0.000 3.471) 5.079 2.582 ( -1.463 0.000 3.982) 4.242 2.670 ( 5.495 0.000 3.394) 6.459 2.681 ( 5.294 0.000 -3.772) 6.501 2.731 ( -5.556 0.000 1.698) 5.810 2.738 ( 1.532 0.000 -1.422) 2.090 2.768 ( 0.452 0.000 0.494) 0.669 2.793 ( -4.316 0.000 -2.921) 5.212 2.831 ( 2.839 0.000 -1.720) 3.320 2.855 ( -0.148 0.000 -0.939) 0.950 2.886 ( 0.482 0.000 -1.065) 1.169 2.971 ( -3.150 0.000 1.072) 3.328 2.993 ( -0.763 0.000 -0.170) 0.782 3.012 ( -0.010 0.000 1.430) 1.430 3.093 ( -4.062 0.000 -2.529) 4.785 3.141 ( 6.024 0.000 5.669) 8.273 3.158 ( -3.443 0.000 2.780) 4.425 3.213 ( 1.118 0.000 -0.894) 1.432 3.283 ( -0.613 0.000 -3.919) 3.966 3.304 ( 1.706 0.000 -1.953) 2.593 3.344 ( 1.839 0.000 -3.251) 3.735 3.389 ( -0.161 0.000 0.498) 0.523 3.400 ( -0.478 0.000 5.244) 5.266 3.420 ( -0.464 0.000 -1.203) 1.290 3.444 ( 1.909 0.000 -4.298) 4.703 3.480 ( -1.192 0.000 -1.468) 1.891 3.492 ( 1.911 0.000 1.007) 2.160 3.534 ( 2.603 0.000 -0.928) 2.764 3.577 ( -3.406 0.000 -0.211) 3.412 3.664 ( 1.204 0.000 0.967) 1.544 3.703 ( -0.181 0.000 2.248) 2.255 3.755 ( -3.700 0.000 3.685) 5.222 3.771 ( 3.019 0.000 -0.429) 3.049 3.789 ( 3.164 0.000 1.056) 3.336 3.844 ( -1.760 0.000 -0.998) 2.023 3.898 ( 1.895 0.000 -4.021) 4.445 3.990 ( -3.990 0.000 -3.722) 5.456 4.106 ( -2.073 0.000 0.150) 2.079 4.106 ( 1.581 0.000 -0.295) 1.608 4.208 ( 0.541 0.000 2.081) 2.150 4.256 ( -0.582 0.000 2.091) 2.170 4.266 ( 4.972 0.000 3.169) 5.896 4.333 ( -0.186 0.000 -0.851) 0.871 4.577 ( -1.309 0.000 -0.139) 1.316 4.577 ( -1.639 0.000 0.032) 1.640 4.638 ( -1.655 0.000 2.388) 2.905 4.668 ( -0.013 0.000 3.900) 3.900 4.676 ( 2.366 0.000 -1.521) 2.813 4.797 ( -1.063 0.000 -0.040) 1.063 4.805 ( -1.763 0.000 -0.851) 1.958 4.824 ( -1.414 0.000 -3.873) 4.123 4.855 ( -0.492 0.000 2.213) 2.267 4.874 ( 0.521 0.000 1.801) 1.875 4.905 ( 2.205 0.000 -2.251) 3.151 4.946 ( 2.062 0.000 -2.731) 3.422 5.076 ( -3.017 0.000 1.754) 3.490 5.098 ( -1.577 0.000 -1.805) 2.397 5.205 ( -0.468 0.000 2.484) 2.528 5.260 ( -0.711 0.000 -1.320) 1.499 5.315 ( -2.658 0.000 1.510) 3.058 5.397 ( -2.490 0.000 -3.694) 4.454 5.682 ( 0.519 0.000 0.223) 0.565 5.694 ( -0.625 0.000 0.299) 0.693 5.937 ( 0.860 0.000 -0.123) 0.869 5.946 ( -0.266 0.000 -0.081) 0.279 8.453 ( 0.811 0.000 0.209) 0.838 8.457 ( 0.825 0.000 0.082) 0.829 8.523 ( -0.281 0.000 0.285) 0.400 8.537 ( -0.535 0.000 -0.271) 0.600 9.375 ( 0.196 0.000 0.129) 0.234 9.385 ( -0.229 0.000 -0.146) 0.272 9.875 ( 0.320 0.000 -0.033) 0.322 9.883 ( -0.445 0.000 -0.015) 0.446 10.187 ( 0.336 0.000 -0.724) 0.798 10.195 ( -1.366 0.000 -0.572) 1.480 10.221 ( 1.210 0.000 0.463) 1.295 10.247 ( -0.967 0.000 -0.005) 0.967 10.350 ( 1.472 0.000 0.392) 1.523 10.363 ( 0.397 0.000 0.400) 0.564 10.568 ( -0.158 0.000 -0.123) 0.200 10.569 ( -0.779 0.000 0.161) 0.796 10.733 ( 1.411 0.000 0.351) 1.454 10.757 ( 0.571 0.000 -0.404) 0.699 10.973 ( 0.074 0.000 5.608) 5.608 11.084 ( 4.067 0.000 -3.862) 5.609 11.192 ( -0.179 0.000 0.265) 0.320 11.196 ( 0.504 0.000 -0.369) 0.624 11.500 ( 0.128 0.000 -0.100) 0.162 11.511 ( -1.630 0.000 0.475) 1.698 12.721 ( -0.079 0.000 0.108) 0.134 12.726 ( -0.156 0.000 -0.100) 0.185 12.765 ( -0.016 0.000 0.045) 0.048 12.768 ( -0.155 0.000 -0.037) 0.159 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -16.276 0.000 6.506) 17.528 0.930 ( -10.717 0.000 13.069) 16.902 1.103 ( 7.766 0.000 -4.306) 8.880 1.226 ( 4.818 0.000 -11.287) 12.272 1.408 ( -4.147 0.000 3.614) 5.501 1.515 ( -11.738 0.000 -1.068) 11.787 1.540 ( 3.302 0.000 -2.443) 4.108 1.606 ( -4.731 0.000 4.104) 6.263 1.765 ( 0.735 0.000 2.341) 2.453 1.814 ( -2.368 0.000 -4.725) 5.285 1.845 ( -8.851 0.000 2.723) 9.261 1.878 ( -2.313 0.000 -2.755) 3.597 1.892 ( -3.030 0.000 1.072) 3.214 1.902 ( -1.664 0.000 1.302) 2.112 1.934 ( -4.301 0.000 -0.004) 4.301 1.958 ( 5.948 0.000 0.887) 6.014 2.032 ( 4.161 0.000 -2.128) 4.674 2.061 ( 6.353 0.000 -3.686) 7.344 2.160 ( -1.866 0.000 -1.070) 2.151 2.174 ( 3.022 0.000 1.085) 3.211 2.291 ( -0.104 0.000 4.530) 4.531 2.324 ( -1.106 0.000 -2.724) 2.940 2.362 ( -3.530 0.000 2.397) 4.267 2.393 ( 0.240 0.000 1.261) 1.284 2.441 ( 1.984 0.000 -0.953) 2.200 2.514 ( -0.757 0.000 -1.223) 1.439 2.516 ( 3.630 0.000 -4.685) 5.927 2.531 ( 6.841 0.000 3.522) 7.694 2.567 ( -4.497 0.000 4.970) 6.703 2.620 ( -8.947 0.000 4.832) 10.168 2.667 ( -3.864 0.000 -2.911) 4.837 2.727 ( -2.026 0.000 2.768) 3.431 2.739 ( 2.258 0.000 -2.696) 3.517 2.770 ( 1.789 0.000 -1.989) 2.676 2.812 ( 4.880 0.000 1.751) 5.184 2.825 ( 0.163 0.000 -1.888) 1.894 2.879 ( -0.645 0.000 0.816) 1.040 2.893 ( -0.321 0.000 -2.545) 2.565 2.951 ( 4.226 0.000 0.584) 4.266 2.984 ( 3.873 0.000 -1.417) 4.125 3.050 ( 1.931 0.000 2.687) 3.309 3.065 ( -0.016 0.000 -1.774) 1.774 3.148 ( -1.413 0.000 4.446) 4.665 3.226 ( 0.420 0.000 1.928) 1.973 3.240 ( 0.204 0.000 -4.028) 4.033 3.255 ( 4.117 0.000 0.220) 4.123 3.272 ( -4.893 0.000 -5.373) 7.267 3.316 ( 1.635 0.000 -1.971) 2.561 3.397 ( -0.445 0.000 -0.693) 0.824 3.399 ( 0.472 0.000 0.691) 0.837 3.424 ( -2.159 0.000 -0.597) 2.240 3.442 ( -0.151 0.000 -0.664) 0.681 3.466 ( 0.243 0.000 2.816) 2.826 3.522 ( 1.245 0.000 -1.361) 1.845 3.549 ( 0.953 0.000 -2.560) 2.732 3.585 ( 3.821 0.000 -0.881) 3.921 3.677 ( -0.277 0.000 2.926) 2.939 3.683 ( -2.286 0.000 -0.345) 2.312 3.745 ( -1.889 0.000 1.604) 2.478 3.794 ( -4.121 0.000 0.867) 4.211 3.823 ( 4.263 0.000 -2.653) 5.021 3.880 ( 0.945 0.000 2.589) 2.756 3.891 ( 4.761 0.000 -1.685) 5.050 3.898 ( -2.048 0.000 -3.823) 4.338 4.079 ( -2.198 0.000 1.973) 2.954 4.121 ( 0.418 0.000 -0.778) 0.883 4.241 ( -0.688 0.000 -0.473) 0.835 4.246 ( 2.125 0.000 1.875) 2.834 4.321 ( -2.202 0.000 -1.832) 2.864 4.334 ( 0.857 0.000 -0.062) 0.859 4.550 ( -1.117 0.000 1.873) 2.181 4.585 ( 2.075 0.000 0.102) 2.078 4.632 ( -1.147 0.000 2.449) 2.704 4.688 ( 1.217 0.000 -2.000) 2.341 4.714 ( 1.029 0.000 4.506) 4.622 4.765 ( -0.173 0.000 -4.627) 4.630 4.778 ( -2.166 0.000 2.327) 3.179 4.781 ( -1.797 0.000 0.651) 1.912 4.868 ( 0.087 0.000 1.079) 1.083 4.890 ( -1.150 0.000 2.377) 2.641 4.912 ( 1.177 0.000 -2.733) 2.975 4.941 ( 0.444 0.000 -3.443) 3.471 5.055 ( -0.675 0.000 2.024) 2.133 5.099 ( 2.484 0.000 -0.279) 2.500 5.231 ( 0.644 0.000 1.904) 2.010 5.240 ( -0.234 0.000 -1.058) 1.084 5.303 ( -0.934 0.000 4.064) 4.170 5.363 ( 1.341 0.000 -2.763) 3.071 5.685 ( -0.492 0.000 -0.059) 0.496 5.696 ( 0.810 0.000 0.152) 0.824 5.936 ( -1.056 0.000 0.004) 1.056 5.943 ( -0.026 0.000 0.144) 0.146 8.457 ( -0.420 0.000 0.017) 0.421 8.459 ( -0.535 0.000 -0.302) 0.614 8.529 ( 0.066 0.000 -0.311) 0.318 8.530 ( 0.672 0.000 0.374) 0.769 9.379 ( -0.256 0.000 -0.211) 0.331 9.381 ( 0.335 0.000 0.190) 0.385 9.875 ( -0.405 0.000 -0.084) 0.414 9.882 ( 0.536 0.000 0.061) 0.539 10.178 ( -0.426 0.000 0.104) 0.438 10.192 ( 0.880 0.000 -0.288) 0.926 10.229 ( -1.046 0.000 -0.314) 1.092 10.244 ( 1.145 0.000 0.263) 1.175 10.355 ( -1.355 0.000 -0.105) 1.359 10.367 ( 0.129 0.000 0.050) 0.139 10.566 ( 0.195 0.000 0.111) 0.225 10.572 ( 0.796 0.000 -0.102) 0.803 10.743 ( -1.577 0.000 -0.545) 1.669 10.748 ( -0.329 0.000 0.484) 0.585 10.993 ( -2.839 0.000 4.563) 5.375 11.098 ( 2.384 0.000 -5.680) 6.160 11.189 ( -0.504 0.000 0.294) 0.584 11.198 ( 0.115 0.000 -0.290) 0.311 11.498 ( -0.139 0.000 0.073) 0.157 11.519 ( 2.210 0.000 -0.213) 2.220 12.723 ( 0.186 0.000 0.116) 0.219 12.724 ( 0.077 0.000 -0.126) 0.148 12.766 ( 0.006 0.000 -0.062) 0.062 12.767 ( 0.175 0.000 0.057) 0.184 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -7.804 0.000 19.045) 20.582 0.831 ( -14.437 0.000 12.726) 19.245 1.156 ( -1.751 0.000 -7.662) 7.860 1.169 ( -4.011 0.000 4.723) 6.197 1.308 ( -6.187 0.000 -1.200) 6.303 1.449 ( -16.467 0.000 9.869) 19.198 1.455 ( 1.114 0.000 7.231) 7.316 1.603 ( -5.935 0.000 4.162) 7.249 1.687 ( -3.009 0.000 0.341) 3.028 1.779 ( -0.824 0.000 1.776) 1.958 1.786 ( -3.709 0.000 -4.807) 6.072 1.807 ( -1.440 0.000 0.680) 1.593 1.825 ( -4.041 0.000 -2.207) 4.604 1.900 ( 0.683 0.000 0.414) 0.799 1.901 ( -0.355 0.000 2.786) 2.809 1.994 ( -1.031 0.000 1.593) 1.898 2.053 ( 1.477 0.000 -2.892) 3.247 2.096 ( 1.103 0.000 -0.692) 1.302 2.183 ( 5.227 0.000 -1.388) 5.408 2.227 ( 0.708 0.000 0.164) 0.727 2.264 ( -0.906 0.000 -5.497) 5.571 2.310 ( -3.515 0.000 0.513) 3.552 2.366 ( 3.854 0.000 1.994) 4.339 2.391 ( -0.097 0.000 -3.938) 3.939 2.401 ( 0.827 0.000 -1.356) 1.588 2.477 ( -3.454 0.000 1.553) 3.787 2.518 ( -5.279 0.000 -0.223) 5.284 2.522 ( -5.249 0.000 2.950) 6.021 2.583 ( 3.999 0.000 -1.223) 4.181 2.616 ( -1.633 0.000 1.740) 2.386 2.641 ( 2.206 0.000 -0.273) 2.222 2.694 ( -1.972 0.000 -1.491) 2.473 2.758 ( 1.692 0.000 -3.612) 3.988 2.782 ( 1.321 0.000 3.161) 3.426 2.825 ( 1.910 0.000 -3.433) 3.928 2.874 ( 1.724 0.000 -1.367) 2.200 2.885 ( 2.419 0.000 0.978) 2.609 2.921 ( 5.573 0.000 0.431) 5.589 3.015 ( -2.785 0.000 -2.903) 4.023 3.027 ( 1.650 0.000 -1.619) 2.312 3.048 ( 3.731 0.000 0.079) 3.732 3.110 ( 1.964 0.000 1.361) 2.390 3.119 ( -5.476 0.000 -6.004) 8.126 3.188 ( 1.005 0.000 3.109) 3.267 3.235 ( -0.572 0.000 1.724) 1.816 3.238 ( 2.752 0.000 -1.251) 3.023 3.294 ( -3.220 0.000 -2.678) 4.189 3.309 ( -1.610 0.000 0.835) 1.813 3.376 ( 2.199 0.000 2.523) 3.347 3.401 ( -0.085 0.000 0.076) 0.114 3.421 ( 1.631 0.000 -1.219) 2.036 3.438 ( -0.114 0.000 0.212) 0.241 3.498 ( 3.104 0.000 0.321) 3.120 3.514 ( -0.074 0.000 -2.612) 2.613 3.523 ( 0.444 0.000 -5.030) 5.050 3.610 ( -2.810 0.000 -0.332) 2.830 3.651 ( 0.913 0.000 -0.449) 1.018 3.721 ( -1.895 0.000 1.902) 2.684 3.725 ( 1.449 0.000 3.172) 3.487 3.728 ( -2.855 0.000 -0.861) 2.982 3.851 ( 2.283 0.000 -2.837) 3.642 3.864 ( -0.201 0.000 -0.602) 0.635 3.870 ( 1.775 0.000 -3.527) 3.948 4.012 ( 4.759 0.000 4.850) 6.795 4.065 ( -1.923 0.000 2.104) 2.850 4.099 ( -2.487 0.000 -0.193) 2.495 4.208 ( -4.169 0.000 -2.438) 4.830 4.254 ( -0.089 0.000 -2.482) 2.483 4.285 ( 0.181 0.000 -2.055) 2.063 4.339 ( 2.025 0.000 1.413) 2.469 4.558 ( -0.886 0.000 2.735) 2.875 4.614 ( 0.302 0.000 -0.058) 0.307 4.626 ( -1.776 0.000 -0.684) 1.903 4.688 ( 1.174 0.000 -2.827) 3.061 4.717 ( -0.490 0.000 -4.587) 4.613 4.764 ( -1.633 0.000 1.709) 2.363 4.776 ( -0.971 0.000 4.604) 4.705 4.784 ( 0.652 0.000 5.042) 5.084 4.875 ( -2.233 0.000 1.730) 2.825 4.875 ( -0.376 0.000 -0.357) 0.518 4.911 ( 1.075 0.000 -3.278) 3.450 4.918 ( 2.086 0.000 -1.065) 2.342 5.100 ( 2.216 0.000 3.528) 4.166 5.141 ( 2.417 0.000 -0.958) 2.600 5.237 ( 1.130 0.000 -0.601) 1.280 5.247 ( -0.271 0.000 1.385) 1.411 5.381 ( 2.925 0.000 -1.049) 3.107 5.413 ( 8.108 0.000 8.644) 11.851 5.682 ( 0.337 0.000 -0.138) 0.364 5.706 ( 0.300 0.000 -0.181) 0.351 5.912 ( -1.735 0.000 0.225) 1.750 5.946 ( 0.369 0.000 0.650) 0.748 8.439 ( -1.115 0.000 -0.373) 1.175 8.444 ( -0.822 0.000 -0.351) 0.894 8.532 ( 0.400 0.000 -0.125) 0.419 8.545 ( 0.749 0.000 0.179) 0.770 9.374 ( -0.127 0.000 -0.120) 0.175 9.388 ( 0.231 0.000 0.018) 0.232 9.871 ( -0.083 0.000 0.053) 0.099 9.891 ( 0.408 0.000 -0.044) 0.411 10.180 ( 0.279 0.000 0.309) 0.416 10.203 ( -0.609 0.000 -0.016) 0.610 10.216 ( 0.853 0.000 0.091) 0.858 10.263 ( 0.976 0.000 0.092) 0.980 10.326 ( -1.663 0.000 -0.261) 1.683 10.354 ( -1.273 0.000 -0.562) 1.392 10.573 ( 0.443 0.000 0.075) 0.449 10.590 ( 1.429 0.000 -0.190) 1.441 10.705 ( -2.264 0.000 -0.281) 2.282 10.730 ( -2.105 0.000 0.209) 2.115 10.968 ( -4.431 0.000 3.287) 5.517 11.033 ( -3.187 0.000 -8.990) 9.538 11.182 ( -0.632 0.000 0.300) 0.699 11.196 ( -0.117 0.000 -0.229) 0.257 11.509 ( 1.213 0.000 0.149) 1.222 11.559 ( 2.902 0.000 -0.938) 3.050 12.726 ( 0.307 0.000 -0.121) 0.330 12.728 ( 0.265 0.000 0.081) 0.278 12.767 ( 0.169 0.000 -0.042) 0.174 12.771 ( 0.223 0.000 0.035) 0.226 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -12.923 0.000 15.123) 19.892 0.772 ( -8.824 0.000 16.306) 18.540 1.048 ( -4.099 0.000 -3.796) 5.587 1.104 ( 3.053 0.000 -4.732) 5.631 1.321 ( -11.599 0.000 19.451) 22.647 1.347 ( 1.096 0.000 8.646) 8.715 1.418 ( -10.870 0.000 1.345) 10.952 1.491 ( -5.119 0.000 3.810) 6.381 1.658 ( -4.782 0.000 -5.685) 7.429 1.679 ( -2.535 0.000 0.105) 2.537 1.786 ( 1.308 0.000 7.201) 7.319 1.818 ( 0.460 0.000 4.348) 4.373 1.843 ( 1.498 0.000 3.918) 4.195 1.912 ( 0.192 0.000 -2.177) 2.186 1.945 ( -2.174 0.000 0.267) 2.190 2.001 ( 1.549 0.000 5.605) 5.815 2.055 ( 0.893 0.000 -2.689) 2.833 2.105 ( -0.019 0.000 -3.386) 3.386 2.152 ( -1.284 0.000 3.131) 3.384 2.209 ( 1.146 0.000 -3.729) 3.901 2.264 ( -3.210 0.000 0.917) 3.339 2.291 ( 3.186 0.000 -2.737) 4.200 2.367 ( -1.649 0.000 -3.368) 3.750 2.377 ( 2.133 0.000 -4.509) 4.989 2.417 ( 0.236 0.000 1.372) 1.392 2.450 ( -4.863 0.000 1.426) 5.068 2.482 ( 1.723 0.000 -2.550) 3.077 2.501 ( 3.707 0.000 5.846) 6.923 2.595 ( -2.724 0.000 0.522) 2.774 2.620 ( 0.921 0.000 0.425) 1.015 2.636 ( 2.672 0.000 -3.800) 4.645 2.655 ( 0.929 0.000 -3.620) 3.737 2.708 ( -2.095 0.000 -4.021) 4.534 2.795 ( -0.661 0.000 -5.962) 5.998 2.840 ( -2.133 0.000 -0.738) 2.257 2.892 ( -0.609 0.000 -3.337) 3.392 2.906 ( -1.123 0.000 -2.004) 2.297 2.961 ( -4.299 0.000 -4.205) 6.013 2.981 ( 3.728 0.000 0.832) 3.820 3.006 ( 1.911 0.000 -3.153) 3.687 3.026 ( 4.969 0.000 -1.536) 5.201 3.091 ( 0.932 0.000 0.799) 1.227 3.171 ( 1.533 0.000 2.210) 2.690 3.191 ( -3.165 0.000 -0.799) 3.264 3.208 ( -1.341 0.000 1.735) 2.193 3.241 ( -1.994 0.000 2.970) 3.578 3.282 ( 1.661 0.000 0.518) 1.740 3.287 ( -1.040 0.000 -0.492) 1.150 3.400 ( -0.485 0.000 -0.078) 0.492 3.417 ( 0.437 0.000 -2.204) 2.247 3.428 ( -1.085 0.000 1.997) 2.273 3.466 ( 1.229 0.000 1.570) 1.994 3.479 ( -0.218 0.000 -1.737) 1.751 3.503 ( 2.781 0.000 -3.548) 4.508 3.504 ( -2.814 0.000 -2.795) 3.966 3.592 ( 0.185 0.000 0.199) 0.272 3.663 ( 2.120 0.000 1.833) 2.803 3.705 ( 1.234 0.000 0.493) 1.329 3.760 ( -0.449 0.000 2.877) 2.912 3.761 ( 3.899 0.000 2.449) 4.605 3.852 ( 2.096 0.000 -4.344) 4.824 3.860 ( -0.423 0.000 0.318) 0.529 3.886 ( 1.509 0.000 -0.277) 1.534 4.030 ( -3.745 0.000 -2.454) 4.478 4.046 ( -3.160 0.000 2.417) 3.979 4.108 ( -2.725 0.000 -2.176) 3.487 4.133 ( 3.115 0.000 4.096) 5.146 4.243 ( 0.373 0.000 -1.914) 1.951 4.246 ( -0.183 0.000 -4.185) 4.189 4.388 ( 0.399 0.000 1.441) 1.495 4.560 ( -3.237 0.000 1.892) 3.749 4.577 ( -0.203 0.000 -0.395) 0.444 4.607 ( -0.044 0.000 -0.409) 0.411 4.643 ( -1.971 0.000 -3.489) 4.007 4.688 ( 0.683 0.000 -3.635) 3.698 4.750 ( -4.472 0.000 1.593) 4.747 4.760 ( -0.201 0.000 1.319) 1.334 4.835 ( -0.809 0.000 -1.606) 1.798 4.866 ( -1.469 0.000 2.977) 3.320 4.868 ( 0.846 0.000 5.412) 5.478 4.932 ( 2.475 0.000 -1.555) 2.923 4.955 ( 3.033 0.000 -0.796) 3.136 5.146 ( 0.190 0.000 1.295) 1.309 5.161 ( 1.480 0.000 -1.267) 1.948 5.257 ( -0.272 0.000 1.974) 1.992 5.275 ( 2.054 0.000 1.169) 2.364 5.456 ( 5.372 0.000 3.160) 6.232 5.656 ( 10.067 0.000 1.365) 10.159 5.695 ( 1.135 0.000 0.218) 1.155 5.704 ( 0.247 0.000 0.010) 0.247 5.890 ( -1.022 0.000 0.661) 1.217 5.984 ( 3.652 0.000 -0.537) 3.691 8.426 ( -0.282 0.000 0.100) 0.299 8.430 ( -0.289 0.000 -0.549) 0.620 8.538 ( 0.242 0.000 0.203) 0.316 8.555 ( 0.327 0.000 -0.095) 0.341 9.372 ( 0.022 0.000 0.006) 0.023 9.385 ( -0.439 0.000 -0.267) 0.514 9.873 ( 0.208 0.000 0.266) 0.338 9.894 ( 0.091 0.000 -0.238) 0.255 10.186 ( 0.223 0.000 -0.103) 0.245 10.188 ( -0.615 0.000 -0.140) 0.631 10.244 ( 1.262 0.000 1.358) 1.854 10.280 ( 0.949 0.000 0.035) 0.950 10.303 ( -0.845 0.000 -0.132) 0.856 10.324 ( -1.331 0.000 -0.723) 1.514 10.581 ( 0.386 0.000 0.227) 0.448 10.609 ( 1.067 0.000 -0.579) 1.214 10.671 ( -1.442 0.000 0.013) 1.442 10.690 ( -2.444 0.000 -0.075) 2.445 10.844 ( -8.386 0.000 -4.970) 9.748 10.905 ( -5.650 0.000 1.412) 5.824 11.176 ( -0.390 0.000 0.308) 0.497 11.190 ( -0.229 0.000 -0.325) 0.398 11.535 ( 1.274 0.000 0.571) 1.396 11.588 ( 1.769 0.000 -1.622) 2.400 12.730 ( 0.325 0.000 -0.102) 0.341 12.732 ( 0.136 0.000 0.037) 0.141 12.771 ( 0.215 0.000 0.015) 0.215 12.774 ( 0.111 0.000 0.007) 0.111 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.907 3.689 13.651) 14.670 0.942 ( -3.461 12.937 7.042) 15.131 1.077 ( 5.825 6.726 -2.272) 9.183 1.180 ( 0.382 -5.907 2.218) 6.321 1.271 ( 1.603 7.989 -5.169) 9.650 1.326 ( -0.868 2.828 -2.968) 4.190 1.523 ( 3.968 0.722 10.110) 10.884 1.566 ( -1.184 4.670 17.371) 18.027 1.594 ( -1.036 -0.584 -2.449) 2.722 1.610 ( -0.623 0.431 1.853) 2.002 1.806 ( -0.417 -0.765 1.918) 2.106 1.817 ( 3.943 -2.715 1.336) 4.970 1.842 ( -3.299 -1.094 -0.034) 3.476 1.952 ( 0.999 2.364 2.904) 3.875 1.976 ( -0.808 4.337 -5.143) 6.776 2.045 ( -0.712 5.429 -0.045) 5.476 2.061 ( 1.006 -4.043 2.292) 4.755 2.121 ( 1.736 -1.786 -3.278) 4.117 2.174 ( -1.908 2.625 -0.070) 3.247 2.215 ( 4.008 1.709 3.958) 5.886 2.234 ( 0.231 -2.820 0.848) 2.954 2.295 ( -1.678 2.076 -1.064) 2.874 2.322 ( -0.042 -3.326 2.430) 4.119 2.355 ( 0.012 -2.358 -3.796) 4.468 2.377 ( 1.170 -1.939 -2.579) 3.433 2.407 ( 0.254 -3.564 -2.023) 4.106 2.471 ( -3.222 -3.156 1.680) 4.813 2.483 ( -0.218 0.980 -1.744) 2.012 2.610 ( -3.624 -3.601 -0.766) 5.166 2.631 ( 0.744 0.399 0.661) 1.072 2.684 ( 1.651 1.699 -0.725) 2.477 2.693 ( 3.864 3.704 2.087) 5.745 2.729 ( -5.494 4.540 -5.491) 8.997 2.772 ( 2.400 2.483 -3.366) 4.823 2.802 ( 0.905 6.490 -1.408) 6.703 2.816 ( -2.290 6.321 -2.340) 7.119 2.867 ( -0.514 -2.959 -0.121) 3.005 2.894 ( 0.551 -7.382 -2.604) 7.847 2.977 ( 3.810 -4.521 2.091) 6.271 2.987 ( -4.766 -4.919 1.955) 7.123 3.042 ( -1.262 -0.573 -1.456) 2.010 3.060 ( 0.866 -4.643 -1.973) 5.118 3.111 ( 0.975 -4.872 0.461) 4.990 3.138 ( -4.066 -2.034 1.343) 4.741 3.176 ( -2.074 -6.897 1.367) 7.331 3.200 ( 1.729 -0.614 -1.333) 2.268 3.229 ( 2.048 -1.941 -0.884) 2.957 3.241 ( 0.880 -3.744 -0.496) 3.878 3.288 ( -0.088 -3.887 -0.792) 3.968 3.326 ( 2.338 -3.838 -3.918) 5.962 3.416 ( 0.544 1.290 1.288) 1.902 3.455 ( -0.304 -1.405 -0.155) 1.446 3.473 ( -1.120 1.051 0.257) 1.557 3.515 ( -0.174 1.294 -1.322) 1.858 3.534 ( -2.104 -1.631 0.294) 2.678 3.561 ( 2.547 -1.683 -1.644) 3.467 3.716 ( -0.000 1.312 0.646) 1.462 3.725 ( 1.238 3.573 -0.835) 3.873 3.808 ( -0.829 -2.201 0.275) 2.368 3.817 ( 1.765 -0.143 -0.020) 1.771 3.880 ( 2.974 1.962 1.769) 3.978 3.905 ( -0.079 1.362 0.111) 1.369 3.942 ( 1.071 3.079 1.798) 3.723 4.010 ( -3.621 1.013 -3.576) 5.189 4.108 ( -2.801 6.569 2.315) 7.507 4.137 ( 3.129 5.527 -0.542) 6.374 4.165 ( 0.866 -0.129 1.191) 1.479 4.219 ( -0.983 0.308 -3.216) 3.377 4.350 ( 1.213 6.652 0.882) 6.819 4.370 ( -1.863 3.515 -0.650) 4.031 4.493 ( -0.559 -3.825 2.606) 4.662 4.558 ( 0.110 -1.233 -3.505) 3.718 4.635 ( 0.145 3.844 -0.076) 3.847 4.648 ( -0.683 1.012 -0.852) 1.488 4.688 ( -0.082 3.165 2.497) 4.032 4.724 ( -1.747 2.405 -0.443) 3.005 4.764 ( 1.276 -1.609 0.792) 2.201 4.797 ( -0.077 -1.225 -2.135) 2.462 4.851 ( -0.849 -2.507 3.328) 4.253 4.911 ( 0.986 -1.910 -1.075) 2.403 4.949 ( -0.566 1.854 1.607) 2.518 4.991 ( 1.674 0.560 -1.242) 2.158 5.087 ( -0.206 -4.824 2.344) 5.367 5.127 ( -0.425 -4.512 -1.289) 4.712 5.274 ( -0.596 0.041 2.407) 2.480 5.306 ( 0.732 0.330 -0.392) 0.893 5.456 ( -2.161 -12.142 2.678) 12.621 5.464 ( 1.611 -7.700 1.300) 7.974 5.772 ( 0.053 3.204 1.978) 3.766 5.811 ( 0.971 1.893 -1.478) 2.591 5.890 ( 0.378 -1.222 1.350) 1.860 5.924 ( -2.140 -2.962 -1.558) 3.972 8.440 ( -0.304 1.869 0.185) 1.903 8.448 ( 0.176 1.930 -0.624) 2.036 8.531 ( 0.212 -1.380 0.516) 1.488 8.540 ( -0.205 -1.475 -0.299) 1.519 9.437 ( 0.059 6.705 0.134) 6.706 9.441 ( -0.032 6.867 -0.214) 6.870 9.791 ( 0.172 -9.468 0.445) 9.480 9.801 ( -0.204 -9.414 -0.456) 9.427 10.154 ( 0.182 1.110 0.746) 1.350 10.179 ( -0.117 2.559 -1.641) 3.042 10.252 ( 0.574 -1.940 1.586) 2.571 10.284 ( -0.608 -1.654 -1.379) 2.238 10.403 ( 0.788 6.694 0.222) 6.744 10.412 ( -0.895 6.874 -0.620) 6.960 10.573 ( 0.215 -1.942 0.466) 2.009 10.584 ( 0.109 -2.417 -0.560) 2.483 10.685 ( 0.748 2.468 0.217) 2.588 10.691 ( -0.723 2.725 -0.333) 2.839 10.787 ( 3.605 -1.701 0.666) 4.041 10.802 ( -3.189 -2.047 -0.635) 3.843 11.266 ( -0.035 7.926 1.575) 8.081 11.331 ( 0.083 12.617 -5.276) 13.676 11.517 ( 0.160 -3.919 2.080) 4.440 11.575 ( -0.129 -1.636 -3.336) 3.718 12.738 ( -0.068 0.591 0.004) 0.595 12.739 ( 0.080 0.574 -0.077) 0.585 12.768 ( 0.065 -0.599 0.040) 0.604 12.768 ( -0.062 -0.619 -0.021) 0.623 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.655 4.253 7.776) 9.252 0.981 ( 2.604 8.678 5.893) 10.808 1.143 ( 5.254 4.135 -5.561) 8.696 1.209 ( 6.254 10.185 -9.551) 15.299 1.336 ( 6.066 0.495 4.559) 7.604 1.369 ( 8.196 -2.609 -1.513) 8.734 1.511 ( -4.000 0.868 -2.150) 4.624 1.599 ( 2.324 2.247 -0.272) 3.244 1.684 ( 3.761 -7.251 0.868) 8.214 1.721 ( 3.837 -2.131 4.064) 5.982 1.803 ( 0.477 1.200 -1.890) 2.289 1.833 ( 0.657 -0.326 3.906) 3.974 1.918 ( 5.111 5.049 -6.359) 9.595 1.939 ( 3.165 -1.258 5.722) 6.659 1.982 ( -3.088 0.802 -4.739) 5.713 1.990 ( -3.118 -0.061 0.671) 3.190 2.071 ( 0.021 1.036 0.584) 1.190 2.113 ( 0.605 -2.040 -1.139) 2.413 2.191 ( 0.599 2.831 1.044) 3.076 2.206 ( -1.310 2.972 0.080) 3.249 2.232 ( -4.204 -3.736 -5.975) 8.206 2.276 ( 1.839 1.899 1.296) 2.944 2.313 ( -0.829 4.216 1.680) 4.613 2.317 ( -3.883 -4.277 -1.642) 6.005 2.357 ( -0.736 -3.945 0.450) 4.039 2.421 ( 1.640 -2.330 -0.663) 2.926 2.440 ( -0.177 -3.282 2.003) 3.850 2.532 ( -1.914 3.381 6.787) 7.820 2.571 ( 2.922 1.085 0.766) 3.209 2.618 ( -2.285 -0.585 -1.300) 2.693 2.631 ( 1.498 2.582 -3.127) 4.323 2.706 ( -1.400 5.428 -0.917) 5.680 2.726 ( 0.448 -0.231 1.737) 1.809 2.771 ( 0.135 0.584 0.962) 1.134 2.817 ( 2.828 2.388 -2.952) 4.735 2.833 ( 2.468 3.467 1.394) 4.479 2.862 ( 0.309 0.756 1.398) 1.619 2.891 ( -1.154 -2.262 0.992) 2.726 2.964 ( 1.418 -7.118 -2.060) 7.545 2.981 ( -3.453 0.222 -0.864) 3.566 3.032 ( -1.338 3.576 1.449) 4.083 3.072 ( 1.216 -3.733 3.174) 5.048 3.110 ( 0.302 -3.942 -0.380) 3.972 3.141 ( -2.089 -6.644 -0.083) 6.966 3.163 ( 2.658 -8.590 2.137) 9.242 3.218 ( 3.143 -0.789 -1.150) 3.439 3.251 ( 1.427 -5.779 0.986) 6.034 3.267 ( 0.761 -6.070 -2.614) 6.652 3.296 ( 3.367 -1.995 -0.795) 3.993 3.338 ( 2.482 -0.996 -3.964) 4.782 3.420 ( -1.032 -0.303 -1.054) 1.506 3.436 ( -1.050 0.078 1.211) 1.605 3.486 ( 1.479 1.482 1.212) 2.419 3.504 ( -1.648 -0.466 1.467) 2.255 3.527 ( 1.269 0.766 -0.818) 1.693 3.595 ( 2.713 -3.300 -0.722) 4.333 3.675 ( -3.291 1.238 -1.626) 3.874 3.729 ( -0.763 2.855 -0.477) 2.994 3.767 ( -3.154 -1.573 -0.627) 3.579 3.817 ( -1.939 -0.185 -1.958) 2.762 3.858 ( -2.202 0.551 -0.175) 2.277 3.886 ( -3.160 1.418 -2.424) 4.228 3.929 ( -0.714 3.883 0.959) 4.063 4.040 ( 3.705 -0.857 2.696) 4.661 4.101 ( 0.789 5.441 0.545) 5.524 4.123 ( -3.737 -0.208 -0.197) 3.748 4.189 ( 0.467 3.971 -1.581) 4.299 4.224 ( 2.773 2.405 0.622) 3.723 4.318 ( -1.512 6.859 0.690) 7.057 4.410 ( 2.459 3.564 0.050) 4.330 4.518 ( 0.540 -1.979 2.884) 3.539 4.549 ( 1.781 -2.217 -1.596) 3.261 4.631 ( -0.191 2.040 0.219) 2.061 4.650 ( 0.512 3.123 0.391) 3.189 4.682 ( -1.045 2.833 -0.375) 3.043 4.737 ( 1.338 1.206 2.611) 3.172 4.787 ( 1.377 -0.410 -2.089) 2.535 4.799 ( 1.271 -2.903 1.023) 3.331 4.860 ( -1.035 -2.010 2.270) 3.204 4.902 ( 0.026 -1.855 -2.233) 2.903 4.941 ( -1.317 1.675 0.678) 2.236 4.992 ( 0.245 1.154 -2.652) 2.903 5.083 ( -1.960 -4.131 0.812) 4.643 5.114 ( -0.479 -4.178 0.343) 4.219 5.270 ( -2.059 -0.296 1.156) 2.380 5.308 ( 0.354 0.668 -1.087) 1.324 5.403 ( -5.552 -7.811 1.232) 9.662 5.477 ( -1.140 -8.655 0.105) 8.731 5.767 ( -1.888 3.665 0.466) 4.149 5.780 ( -2.114 3.746 -1.224) 4.472 5.885 ( -0.185 -1.791 0.243) 1.817 5.922 ( 0.219 -2.465 1.348) 2.818 8.435 ( -0.154 1.637 0.293) 1.670 8.451 ( 0.304 1.817 -0.255) 1.860 8.528 ( -0.620 -1.528 -0.145) 1.655 8.538 ( 0.004 -1.258 0.173) 1.270 9.438 ( -0.011 6.815 -0.084) 6.816 9.443 ( 0.330 6.665 0.048) 6.673 9.793 ( -0.245 -9.242 -0.402) 9.254 9.798 ( 0.098 -9.386 0.429) 9.397 10.154 ( -0.379 0.699 -0.106) 0.802 10.173 ( 0.330 1.793 -0.121) 1.827 10.246 ( -1.755 -1.985 -0.708) 2.743 10.269 ( -0.677 -1.623 0.636) 1.870 10.398 ( 0.313 6.972 0.116) 6.980 10.430 ( 1.365 6.804 -0.009) 6.939 10.571 ( -0.485 -2.147 -0.125) 2.205 10.578 ( -0.267 -1.669 -0.094) 1.693 10.690 ( 1.009 1.855 -0.188) 2.120 10.721 ( 2.958 3.498 0.115) 4.583 10.780 ( 1.454 -1.804 0.143) 2.322 10.890 ( 7.042 -4.188 -0.580) 8.214 11.280 ( -0.558 8.922 2.079) 9.178 11.288 ( -0.727 9.207 -2.516) 9.572 11.526 ( -1.651 -3.196 0.961) 3.723 11.531 ( -1.599 -2.970 -1.145) 3.562 12.735 ( -0.281 0.623 0.018) 0.684 12.739 ( -0.056 0.619 -0.040) 0.622 12.765 ( -0.232 -0.611 -0.016) 0.654 12.768 ( -0.064 -0.582 0.012) 0.585 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.328 6.846 5.972) 9.090 1.117 ( 4.160 2.244 -10.818) 11.806 1.167 ( 8.123 -0.867 4.507) 9.330 1.234 ( 7.883 9.964 -10.345) 16.384 1.339 ( -5.897 0.900 -8.001) 9.980 1.477 ( 6.229 -4.744 -1.616) 7.995 1.569 ( 7.410 -5.068 6.067) 10.836 1.645 ( -0.963 -1.084 0.378) 1.498 1.686 ( 0.847 -2.930 -6.040) 6.767 1.760 ( 0.535 -3.955 -1.671) 4.327 1.821 ( 0.753 1.032 -1.730) 2.151 1.846 ( -2.716 -0.530 -3.821) 4.718 1.904 ( 2.207 3.963 -2.212) 5.047 1.933 ( 3.795 3.354 0.537) 5.094 1.954 ( -1.416 -2.991 -1.977) 3.855 2.015 ( 2.732 1.389 -0.020) 3.065 2.047 ( -0.863 -2.214 -2.091) 3.165 2.075 ( -0.977 0.003 -1.692) 1.954 2.130 ( 0.133 -2.121 -2.633) 3.384 2.201 ( -1.316 3.102 1.896) 3.867 2.245 ( -1.602 3.378 2.287) 4.383 2.280 ( 0.652 0.680 6.695) 6.761 2.336 ( 1.510 1.872 2.040) 3.153 2.352 ( 2.706 -0.201 3.316) 4.285 2.366 ( 1.414 -1.491 1.501) 2.545 2.424 ( -0.217 0.536 0.021) 0.578 2.496 ( 3.627 -1.722 1.408) 4.255 2.558 ( -1.115 5.862 5.099) 7.849 2.577 ( 0.016 -1.140 -0.563) 1.272 2.634 ( 0.553 1.569 -1.912) 2.534 2.643 ( -0.250 3.392 3.006) 4.539 2.683 ( 4.032 0.175 -1.336) 4.252 2.763 ( -0.263 -5.048 2.562) 5.667 2.778 ( -2.364 3.648 1.014) 4.464 2.803 ( -0.799 -1.138 0.088) 1.393 2.829 ( -0.614 -0.948 -2.996) 3.202 2.909 ( 0.431 -1.010 2.128) 2.395 2.919 ( -3.096 0.934 -1.589) 3.603 2.936 ( 0.584 2.333 -1.537) 2.854 2.972 ( 5.473 0.599 4.264) 6.964 3.032 ( -0.377 -0.037 0.809) 0.893 3.069 ( -2.369 0.682 0.291) 2.482 3.103 ( -0.325 -6.672 -2.191) 7.030 3.143 ( 0.420 -2.259 -0.223) 2.309 3.202 ( 0.859 -4.336 1.479) 4.661 3.227 ( -0.456 -7.684 -3.301) 8.376 3.279 ( 2.393 -1.061 -0.378) 2.645 3.304 ( 0.546 -7.370 2.704) 7.870 3.342 ( 3.357 0.868 -3.486) 4.916 3.351 ( 2.066 1.603 -0.837) 2.745 3.406 ( 1.316 -2.081 2.962) 3.852 3.431 ( 0.181 -2.323 -0.882) 2.492 3.497 ( -0.145 0.749 0.233) 0.798 3.513 ( 0.934 -0.677 -0.857) 1.437 3.544 ( -0.026 4.985 1.719) 5.273 3.613 ( -1.016 -0.359 -0.445) 1.166 3.632 ( 1.962 -2.011 -0.453) 2.846 3.690 ( -3.114 0.689 -0.632) 3.251 3.702 ( -3.362 -0.988 0.183) 3.509 3.764 ( -1.211 -0.143 -2.625) 2.895 3.806 ( -2.783 -2.166 -0.907) 3.641 3.835 ( -1.317 0.449 -0.304) 1.425 3.938 ( 0.331 3.164 -0.353) 3.201 4.050 ( -4.116 -2.124 -0.585) 4.668 4.108 ( 2.645 -0.730 1.220) 3.003 4.122 ( 0.255 -0.766 0.955) 1.251 4.172 ( -1.213 4.115 -0.226) 4.296 4.229 ( -1.590 3.099 0.348) 3.500 4.354 ( 1.771 7.879 1.706) 8.254 4.430 ( 1.811 6.709 -0.523) 6.969 4.554 ( 0.960 -0.465 1.502) 1.842 4.581 ( 2.142 -3.312 0.245) 3.952 4.642 ( 0.091 3.207 1.709) 3.635 4.646 ( -1.238 1.661 0.041) 2.072 4.679 ( 0.519 1.106 0.605) 1.363 4.781 ( 1.242 -1.337 1.593) 2.423 4.799 ( -0.497 -1.075 0.176) 1.198 4.809 ( 0.960 -1.496 0.702) 1.911 4.869 ( -1.060 -1.081 1.169) 1.913 4.887 ( 1.924 0.237 -2.298) 3.006 4.925 ( -0.438 0.725 -0.780) 1.151 4.957 ( -0.480 2.518 -3.493) 4.332 5.056 ( -1.929 -4.847 0.290) 5.225 5.099 ( -1.819 -3.909 0.233) 4.318 5.224 ( -3.571 -0.267 0.180) 3.585 5.295 ( -0.793 -0.392 -1.386) 1.644 5.335 ( -3.175 -1.459 1.219) 3.701 5.432 ( -2.845 -5.623 -1.925) 6.589 5.737 ( -1.078 4.418 -0.486) 4.574 5.749 ( -1.181 3.883 0.165) 4.062 5.896 ( 0.760 -2.256 0.278) 2.397 5.924 ( -0.523 -2.744 0.304) 2.810 8.443 ( 0.605 0.989 0.428) 1.236 8.454 ( 0.492 1.464 -0.236) 1.563 8.517 ( -0.533 -1.273 0.058) 1.381 8.536 ( -0.324 -1.197 -0.083) 1.243 9.437 ( 0.000 6.894 -0.007) 6.894 9.448 ( 0.127 6.524 0.013) 6.525 9.786 ( -0.062 -8.966 -0.284) 8.971 9.800 ( -0.184 -9.233 0.215) 9.237 10.155 ( 0.463 -0.899 0.112) 1.017 10.174 ( 0.109 1.070 -0.292) 1.114 10.212 ( -1.429 -1.577 -0.487) 2.183 10.252 ( -1.576 -1.292 0.127) 2.042 10.418 ( 1.220 6.692 0.809) 6.850 10.447 ( 0.927 6.828 -0.297) 6.897 10.563 ( -0.374 -1.501 0.024) 1.547 10.572 ( -0.475 -1.310 0.179) 1.405 10.716 ( 1.922 1.787 0.298) 2.641 10.772 ( 2.833 4.126 -0.402) 5.021 10.843 ( 3.622 -3.714 2.824) 5.906 10.984 ( 5.531 -4.985 -2.145) 7.749 11.257 ( -0.842 6.462 -0.905) 6.579 11.284 ( -1.421 8.323 1.672) 8.607 11.483 ( -1.533 -3.670 -0.902) 4.079 11.512 ( -2.439 -2.869 1.684) 4.125 12.731 ( -0.261 0.706 0.081) 0.757 12.737 ( -0.162 0.714 -0.059) 0.735 12.761 ( -0.208 -0.591 0.024) 0.627 12.766 ( -0.167 -0.551 -0.021) 0.577 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -1.018 6.359 6.278) 8.994 1.063 ( 0.477 1.713 -7.879) 8.077 1.102 ( -11.079 1.594 -4.522) 12.072 1.258 ( 5.044 0.828 -7.856) 9.372 1.373 ( 7.507 -2.746 -1.746) 8.182 1.482 ( 0.605 -4.591 -7.528) 8.838 1.519 ( -6.273 -2.682 0.968) 6.890 1.663 ( -3.798 -3.885 -5.530) 7.752 1.694 ( 1.182 -5.316 4.509) 7.070 1.750 ( 5.024 -4.141 0.295) 6.517 1.772 ( -0.283 -0.756 -3.939) 4.021 1.847 ( 0.988 -0.574 0.193) 1.159 1.877 ( -3.460 -3.020 -0.950) 4.690 1.972 ( -0.473 1.699 -3.910) 4.289 2.009 ( 2.574 4.183 1.085) 5.030 2.031 ( 0.579 0.166 1.852) 1.948 2.058 ( 0.614 1.619 0.984) 1.992 2.082 ( 5.029 4.029 0.662) 6.478 2.115 ( 1.016 -0.549 -1.469) 1.868 2.238 ( 2.525 2.473 4.043) 5.370 2.250 ( -2.513 3.387 -0.074) 4.218 2.332 ( -0.165 0.209 5.487) 5.493 2.378 ( 1.839 4.400 4.736) 6.720 2.399 ( -0.507 3.838 -0.896) 3.974 2.442 ( 5.363 0.229 0.910) 5.444 2.457 ( 5.300 3.509 1.523) 6.537 2.541 ( -3.080 2.047 2.344) 4.378 2.559 ( -0.565 0.913 -0.016) 1.074 2.582 ( -0.464 1.708 2.135) 2.773 2.635 ( -1.140 -2.895 1.615) 3.505 2.680 ( 1.347 -0.460 -2.319) 2.721 2.703 ( -1.161 -1.670 2.088) 2.915 2.740 ( 0.413 2.131 -1.475) 2.625 2.761 ( -2.077 -2.692 0.260) 3.410 2.778 ( -1.274 -2.634 -1.683) 3.376 2.833 ( 1.114 0.210 -0.817) 1.398 2.858 ( -1.086 0.963 0.426) 1.513 2.918 ( 0.351 -1.099 -0.601) 1.301 2.923 ( 0.598 1.748 -1.707) 2.515 2.993 ( -3.928 -2.076 -2.953) 5.334 3.025 ( 0.407 -3.389 1.166) 3.607 3.052 ( -2.412 -1.881 -1.016) 3.223 3.124 ( 2.486 -3.172 0.662) 4.084 3.153 ( -1.756 1.157 2.931) 3.607 3.177 ( 2.549 -6.238 -2.360) 7.140 3.223 ( -0.462 -2.404 0.336) 2.471 3.299 ( 3.134 -1.260 -2.920) 4.465 3.313 ( -1.088 1.125 -1.252) 2.004 3.359 ( 2.979 -1.530 1.700) 3.756 3.397 ( 1.355 1.346 0.541) 1.985 3.440 ( 1.963 -0.735 1.938) 2.855 3.460 ( -0.525 -1.389 -0.384) 1.534 3.500 ( 1.102 0.480 -0.848) 1.471 3.526 ( -1.801 3.701 0.222) 4.122 3.539 ( 2.200 -0.272 0.534) 2.280 3.603 ( -2.051 1.921 -2.929) 4.060 3.643 ( 1.637 -0.866 0.521) 1.923 3.664 ( -1.244 -2.954 0.778) 3.299 3.693 ( 0.786 -1.498 2.229) 2.799 3.742 ( 0.652 -2.136 -0.547) 2.299 3.775 ( 0.281 -2.603 0.390) 2.647 3.823 ( -0.531 -0.975 1.697) 2.028 3.917 ( -1.225 1.310 -2.654) 3.204 3.972 ( -3.265 -1.690 -3.042) 4.772 4.126 ( 0.567 -0.615 0.332) 0.900 4.147 ( -0.907 3.430 0.395) 3.569 4.171 ( 1.712 -3.665 1.751) 4.407 4.199 ( -2.705 1.699 0.994) 3.346 4.379 ( 1.700 6.083 0.241) 6.321 4.455 ( 0.017 7.234 -1.234) 7.338 4.587 ( 1.609 3.136 2.318) 4.219 4.610 ( -0.886 -1.020 0.761) 1.551 4.622 ( 0.524 -2.107 0.120) 2.175 4.649 ( -1.011 3.875 0.806) 4.085 4.700 ( 0.259 0.873 2.358) 2.528 4.787 ( -0.731 0.209 1.068) 1.311 4.806 ( 0.302 -0.389 0.152) 0.516 4.830 ( -1.845 0.027 -2.169) 2.848 4.842 ( 0.601 -1.217 1.652) 2.138 4.904 ( -1.087 2.118 0.699) 2.481 4.917 ( 2.088 1.229 -2.720) 3.643 4.934 ( 1.208 -0.595 -2.643) 2.967 5.031 ( -1.036 -4.241 0.482) 4.392 5.062 ( -1.893 -3.409 -0.629) 3.949 5.189 ( -1.384 -0.574 1.628) 2.213 5.256 ( -1.778 -2.202 -1.711) 3.307 5.315 ( -1.009 1.038 1.191) 1.874 5.374 ( -0.986 -1.820 -2.644) 3.358 5.729 ( 0.107 4.280 0.063) 4.281 5.737 ( -0.478 4.004 0.064) 4.033 5.908 ( 0.315 -2.941 0.257) 2.969 5.918 ( -0.208 -2.905 -0.159) 2.917 8.457 ( 0.385 0.482 0.414) 0.742 8.463 ( 0.671 0.775 -0.225) 1.050 8.513 ( -0.212 -0.949 0.409) 1.055 8.528 ( -0.316 -0.990 -0.360) 1.099 9.439 ( 0.117 6.831 0.130) 6.833 9.447 ( -0.127 6.604 -0.163) 6.607 9.787 ( 0.305 -8.868 -0.075) 8.873 9.795 ( -0.469 -9.090 -0.046) 9.102 10.163 ( 0.010 -1.201 0.167) 1.212 10.173 ( 0.174 0.249 -0.547) 0.626 10.199 ( 0.374 -1.380 0.214) 1.446 10.227 ( -1.311 -1.306 -0.273) 1.871 10.442 ( 0.478 6.253 0.894) 6.335 10.458 ( 0.697 6.303 -0.354) 6.352 10.559 ( -0.249 -0.956 0.254) 1.020 10.566 ( -0.287 -0.615 -0.074) 0.683 10.752 ( 1.452 2.351 0.949) 2.922 10.796 ( 0.725 4.245 -1.037) 4.429 10.921 ( 1.251 -4.667 4.179) 6.389 11.030 ( 2.874 -5.501 -3.353) 7.055 11.247 ( 0.313 5.466 0.021) 5.475 11.266 ( -1.517 6.256 0.309) 6.445 11.470 ( 0.399 -3.256 0.092) 3.281 11.486 ( -1.788 -2.888 0.693) 3.467 12.729 ( -0.063 0.775 0.128) 0.788 12.733 ( -0.119 0.791 -0.111) 0.808 12.760 ( -0.029 -0.581 0.078) 0.587 12.763 ( -0.125 -0.529 -0.064) 0.547 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -14.919 4.781 5.450) 16.587 1.037 ( -7.886 5.852 10.313) 14.240 1.097 ( 4.309 0.380 -2.745) 5.123 1.246 ( 3.005 -2.115 -6.936) 7.850 1.330 ( -5.612 -5.370 0.757) 7.804 1.434 ( -2.309 -2.376 -2.089) 3.917 1.552 ( -0.139 -2.791 -0.992) 2.965 1.569 ( 0.548 -1.745 2.478) 3.080 1.726 ( -0.984 -4.971 0.123) 5.069 1.748 ( 0.322 -2.227 -2.049) 3.043 1.759 ( -2.579 -3.103 -0.753) 4.105 1.839 ( 2.529 -3.758 -0.021) 4.530 1.881 ( -2.231 0.924 2.015) 3.145 1.899 ( -3.517 1.454 -1.071) 3.953 1.992 ( -3.953 3.318 1.583) 5.399 2.049 ( -1.153 4.526 1.133) 4.806 2.077 ( 1.646 2.131 -0.349) 2.715 2.114 ( 2.221 1.019 -3.756) 4.481 2.166 ( -3.620 2.490 -3.578) 5.666 2.224 ( 5.422 2.544 2.387) 6.448 2.288 ( -1.813 2.115 2.524) 3.759 2.345 ( 0.607 2.759 -0.658) 2.901 2.389 ( -2.117 1.073 2.420) 3.390 2.427 ( -1.482 4.873 0.549) 5.123 2.479 ( -4.784 2.753 -2.011) 5.875 2.502 ( -2.856 0.902 0.876) 3.120 2.517 ( 1.450 -0.189 -1.054) 1.802 2.560 ( 1.002 1.368 2.530) 3.045 2.579 ( -0.681 0.748 4.043) 4.168 2.614 ( -3.028 -0.321 1.296) 3.309 2.652 ( 1.342 -0.560 -2.257) 2.685 2.704 ( -3.996 -3.183 1.289) 5.269 2.712 ( 2.912 -1.526 -0.737) 3.370 2.756 ( 0.287 -1.123 0.344) 1.209 2.812 ( 3.203 -0.116 -0.649) 3.270 2.825 ( 2.683 -1.368 0.861) 3.132 2.874 ( 0.179 -0.239 0.680) 0.742 2.909 ( 0.245 1.142 -3.302) 3.502 2.948 ( 1.541 -1.477 -1.953) 2.893 2.950 ( 2.797 -3.690 0.846) 4.707 3.019 ( 0.467 -2.831 0.400) 2.897 3.050 ( 1.570 -0.497 0.047) 1.648 3.135 ( -0.361 -6.576 0.129) 6.587 3.145 ( 0.366 -7.764 -1.817) 7.982 3.185 ( -1.134 2.134 2.379) 3.391 3.239 ( -0.369 -0.697 0.510) 0.939 3.280 ( 0.464 1.628 -3.315) 3.722 3.332 ( 2.367 0.575 -3.122) 3.960 3.379 ( -1.837 0.988 -1.922) 2.836 3.414 ( 2.459 -0.670 -0.176) 2.555 3.441 ( -2.041 1.345 0.473) 2.490 3.469 ( -0.732 0.694 -0.027) 1.009 3.502 ( -1.900 2.164 2.939) 4.114 3.544 ( 1.714 -0.590 0.696) 1.942 3.547 ( 1.715 -1.593 -1.670) 2.875 3.572 ( 1.876 1.112 -2.668) 3.446 3.627 ( -2.365 -1.269 1.030) 2.874 3.673 ( 1.617 -0.042 -1.775) 2.402 3.708 ( -1.345 -2.156 1.262) 2.837 3.758 ( 2.145 -3.570 0.346) 4.179 3.803 ( -2.306 -0.228 -0.904) 2.488 3.860 ( 2.800 -1.769 -2.295) 4.030 3.881 ( 1.624 -0.126 4.132) 4.442 3.912 ( -0.104 -0.526 -2.669) 2.723 4.123 ( -1.187 0.964 0.875) 1.762 4.151 ( -0.197 3.406 -0.490) 3.447 4.179 ( 0.546 -3.129 1.042) 3.343 4.212 ( 2.358 -1.907 0.200) 3.039 4.392 ( -3.009 4.528 -0.259) 5.442 4.436 ( 1.576 7.013 -0.354) 7.197 4.575 ( -3.236 -2.183 2.244) 4.502 4.629 ( -1.374 5.291 -0.535) 5.493 4.641 ( 2.120 -0.405 -0.341) 2.186 4.654 ( 2.422 3.085 0.133) 3.925 4.732 ( -0.012 1.305 3.762) 3.982 4.776 ( -1.793 -0.218 -0.852) 1.997 4.787 ( -0.271 1.457 -0.243) 1.502 4.803 ( -0.641 1.663 0.353) 1.817 4.861 ( -0.113 -0.948 1.535) 1.808 4.887 ( -1.767 0.325 1.160) 2.138 4.914 ( 0.800 -1.313 -3.498) 3.821 4.936 ( 0.855 1.030 -1.570) 2.063 5.017 ( -1.304 -3.522 1.282) 3.968 5.061 ( 2.326 -3.433 -0.242) 4.154 5.204 ( 0.426 -2.151 3.134) 3.825 5.219 ( -0.778 -2.260 -1.211) 2.680 5.315 ( -0.601 1.240 1.779) 2.250 5.357 ( 1.337 -0.683 -1.967) 2.475 5.724 ( -0.618 3.950 0.343) 4.013 5.743 ( 1.002 4.004 -0.345) 4.142 5.911 ( -0.300 -2.625 0.234) 2.653 5.913 ( -0.162 -2.930 0.012) 2.935 8.458 ( -0.514 0.486 0.185) 0.732 8.467 ( 0.035 0.702 -0.444) 0.832 8.516 ( -0.117 -1.099 0.384) 1.170 8.525 ( 0.417 -0.936 -0.234) 1.051 9.441 ( -0.139 6.662 -0.007) 6.663 9.444 ( 0.202 6.759 -0.027) 6.762 9.787 ( -0.439 -8.970 -0.066) 8.981 9.794 ( 0.546 -9.004 0.052) 9.021 10.161 ( -0.342 -0.300 0.319) 0.555 10.173 ( 0.421 -0.263 -0.534) 0.729 10.205 ( -0.656 -1.349 -0.244) 1.520 10.222 ( 1.569 -1.567 0.133) 2.221 10.446 ( -0.790 6.298 0.639) 6.380 10.459 ( -0.157 6.031 -0.544) 6.058 10.560 ( 0.047 -0.712 0.159) 0.731 10.567 ( 0.676 -0.636 -0.170) 0.943 10.770 ( -1.108 3.041 0.580) 3.288 10.779 ( -0.961 3.656 -0.679) 3.840 10.951 ( -2.064 -4.302 3.914) 6.172 11.012 ( -1.114 -6.739 -4.000) 7.916 11.248 ( -0.511 4.961 -0.054) 4.987 11.276 ( 3.278 6.351 -0.569) 7.169 11.471 ( -0.082 -2.777 -0.050) 2.779 11.498 ( 2.910 -2.392 -0.368) 3.784 12.731 ( 0.161 0.776 0.126) 0.803 12.732 ( 0.074 0.806 -0.146) 0.823 12.761 ( 0.039 -0.560 0.012) 0.561 12.762 ( 0.137 -0.541 -0.020) 0.558 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -8.016 4.578 16.929) 19.282 0.966 ( -11.110 8.803 10.629) 17.717 1.126 ( -2.057 -4.568 6.730) 8.390 1.192 ( -7.277 -2.786 -0.424) 7.804 1.274 ( -0.742 0.382 -3.003) 3.117 1.389 ( -1.170 -1.723 3.835) 4.364 1.547 ( -8.123 0.534 6.199) 10.233 1.576 ( -4.851 6.413 4.626) 9.277 1.704 ( 4.122 -1.418 -1.858) 4.739 1.722 ( -2.496 -2.946 -3.455) 5.181 1.775 ( 2.589 -0.837 0.663) 2.801 1.799 ( -3.875 0.590 0.415) 3.941 1.841 ( -4.939 3.788 2.790) 6.821 1.878 ( -0.921 1.323 2.284) 2.796 1.951 ( -3.080 -0.133 -0.865) 3.202 1.974 ( -2.452 0.005 1.587) 2.921 2.086 ( -0.603 -0.204 -3.379) 3.439 2.097 ( 2.155 -0.064 -2.979) 3.677 2.147 ( 1.733 -1.354 -2.287) 3.173 2.259 ( 0.748 -0.520 -2.398) 2.566 2.290 ( -0.506 5.199 0.182) 5.226 2.338 ( -4.858 0.995 0.251) 4.965 2.356 ( 0.087 -3.702 0.263) 3.712 2.397 ( -1.658 1.922 -0.770) 2.653 2.408 ( -1.139 -0.006 0.600) 1.287 2.453 ( -1.025 1.705 -2.610) 3.281 2.492 ( -1.767 0.260 -0.204) 1.797 2.519 ( -1.354 -1.168 1.290) 2.205 2.593 ( -3.966 0.701 3.773) 5.519 2.623 ( -2.826 -1.357 1.566) 3.504 2.658 ( 0.106 -0.453 -0.529) 0.705 2.696 ( 3.290 -2.364 -0.649) 4.103 2.769 ( 2.466 2.980 -1.135) 4.031 2.801 ( 3.709 -0.087 2.861) 4.685 2.833 ( -1.522 -0.449 -1.585) 2.243 2.853 ( 1.991 -0.524 -4.198) 4.676 2.879 ( 0.899 0.977 -0.274) 1.356 2.908 ( 3.514 -0.088 1.472) 3.811 2.974 ( 1.717 -4.791 -1.966) 5.456 3.004 ( 0.939 -3.695 -0.561) 3.854 3.053 ( 2.620 -4.814 1.008) 5.573 3.084 ( 1.695 -0.419 0.175) 1.755 3.101 ( -1.872 -1.473 -3.381) 4.135 3.124 ( -1.208 -1.676 -0.194) 2.076 3.197 ( -0.025 -2.901 0.053) 2.901 3.214 ( -1.575 -3.836 3.099) 5.177 3.268 ( 0.928 -0.918 -2.904) 3.184 3.316 ( -2.366 2.838 -1.951) 4.178 3.359 ( 0.643 -2.362 -1.815) 3.048 3.369 ( -3.529 1.625 -2.504) 4.622 3.443 ( -0.296 -0.350 -0.424) 0.624 3.453 ( 1.375 -0.060 -1.380) 1.949 3.506 ( 0.845 2.027 0.554) 2.264 3.517 ( -0.245 -0.316 -3.179) 3.205 3.577 ( -0.419 1.630 -0.406) 1.731 3.586 ( -0.748 -2.392 1.185) 2.773 3.623 ( 0.568 0.936 -0.130) 1.102 3.690 ( 1.273 -1.845 0.308) 2.263 3.707 ( 1.247 -0.611 0.252) 1.411 3.747 ( 0.458 2.558 -1.292) 2.902 3.796 ( 1.328 -3.151 0.960) 3.551 3.853 ( 1.225 -1.780 -3.538) 4.145 3.919 ( 0.994 2.112 0.472) 2.381 3.991 ( 4.321 -1.900 4.420) 6.467 4.113 ( -0.604 0.903 0.378) 1.150 4.141 ( -0.803 4.627 0.775) 4.759 4.184 ( -0.893 -1.813 -2.260) 3.032 4.251 ( 2.071 -0.321 -0.468) 2.147 4.355 ( -0.311 3.671 0.795) 3.769 4.435 ( -1.848 8.817 -0.268) 9.013 4.554 ( -2.559 -0.918 1.904) 3.319 4.590 ( -1.446 2.195 -1.434) 2.995 4.661 ( 1.019 -1.684 -0.735) 2.101 4.681 ( 0.981 3.014 -1.276) 3.417 4.722 ( -0.976 -0.448 -2.454) 2.679 4.761 ( -1.978 0.348 1.557) 2.541 4.782 ( -0.770 0.660 1.344) 1.684 4.817 ( -0.529 2.704 3.341) 4.331 4.864 ( -1.032 -0.340 -0.310) 1.130 4.868 ( -1.394 -1.765 1.420) 2.660 4.896 ( 1.662 -0.608 -1.967) 2.646 4.940 ( 1.167 1.234 -0.266) 1.719 5.034 ( 1.047 -5.211 1.929) 5.654 5.103 ( 2.201 -3.661 0.108) 4.273 5.213 ( 0.595 -1.659 0.738) 1.910 5.254 ( 1.466 -2.047 3.081) 3.979 5.337 ( 1.487 -1.703 2.363) 3.270 5.380 ( 2.272 -1.389 0.578) 2.725 5.726 ( 0.544 3.864 0.442) 3.927 5.756 ( 0.999 3.334 -0.392) 3.503 5.901 ( -0.749 -1.394 -0.166) 1.591 5.921 ( 0.680 -2.547 0.659) 2.717 8.448 ( -0.616 1.186 0.018) 1.336 8.458 ( -0.319 1.267 -0.590) 1.434 8.517 ( 0.113 -1.348 0.109) 1.357 8.534 ( 0.577 -1.344 0.089) 1.466 9.438 ( -0.104 6.815 -0.077) 6.817 9.448 ( 0.104 6.527 -0.001) 6.528 9.782 ( -0.114 -9.015 0.122) 9.016 9.803 ( 0.426 -9.206 -0.041) 9.215 10.156 ( -0.534 -0.778 0.036) 0.944 10.174 ( 0.404 0.903 -0.298) 1.033 10.206 ( 0.896 -1.000 0.030) 1.343 10.253 ( 2.015 -1.289 0.031) 2.392 10.432 ( -1.241 6.674 -0.055) 6.788 10.443 ( -0.922 6.580 -0.323) 6.652 10.563 ( 0.141 -1.195 0.038) 1.204 10.579 ( 0.841 -1.367 -0.334) 1.639 10.727 ( -2.501 2.697 -0.683) 3.741 10.760 ( -2.170 3.331 0.596) 4.020 10.916 ( -4.845 -6.352 -2.251) 8.300 10.936 ( -4.122 -4.459 0.918) 6.141 11.246 ( 0.184 5.180 0.236) 5.188 11.333 ( 4.862 9.017 -2.837) 10.630 11.478 ( 1.024 -2.642 -0.551) 2.887 11.550 ( 3.948 -1.359 -1.620) 4.479 12.733 ( 0.244 0.732 -0.151) 0.786 12.735 ( 0.226 0.721 0.077) 0.760 12.762 ( 0.162 -0.540 -0.055) 0.566 12.766 ( 0.203 -0.580 0.032) 0.615 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -8.458 3.511 15.419) 17.933 0.935 ( -6.113 12.502 14.097) 19.809 1.055 ( -2.661 2.262 -2.789) 4.469 1.173 ( -2.157 -8.417 5.671) 10.376 1.274 ( 0.733 10.320 3.087) 10.797 1.387 ( -3.441 -4.332 2.111) 5.921 1.450 ( -7.336 -5.141 7.485) 11.674 1.496 ( -9.036 16.086 9.583) 20.790 1.632 ( -2.156 -0.827 -3.505) 4.198 1.664 ( -3.886 1.483 -1.931) 4.585 1.781 ( -1.798 2.255 0.778) 2.987 1.818 ( -0.432 0.645 2.475) 2.594 1.858 ( 1.632 0.807 5.649) 5.935 1.915 ( -0.373 -0.360 -0.598) 0.792 1.966 ( 2.635 -1.839 5.369) 6.257 2.004 ( 4.210 0.672 3.157) 5.305 2.051 ( 0.268 -0.050 -2.776) 2.789 2.104 ( 1.439 -1.756 -2.550) 3.414 2.125 ( -0.415 -2.448 -1.098) 2.715 2.236 ( -3.985 1.199 1.906) 4.577 2.254 ( -1.151 2.567 -1.643) 3.258 2.287 ( 0.851 -0.239 -2.549) 2.697 2.350 ( -0.219 -0.132 -1.538) 1.559 2.377 ( 0.013 -2.545 -2.104) 3.302 2.403 ( -0.572 -1.061 -3.913) 4.094 2.413 ( -0.250 -1.819 0.808) 2.006 2.497 ( 1.411 -0.492 -3.144) 3.481 2.528 ( -4.880 0.194 4.030) 6.332 2.566 ( 2.264 0.921 3.766) 4.490 2.601 ( 0.357 0.119 -0.076) 0.384 2.660 ( 2.052 -0.232 -2.713) 3.409 2.734 ( -1.296 -10.400 1.886) 10.649 2.752 ( -0.084 2.539 -4.342) 5.031 2.784 ( 0.651 5.104 -0.903) 5.224 2.830 ( -0.371 2.689 -4.521) 5.274 2.874 ( -0.235 0.198 0.036) 0.309 2.904 ( -0.745 -3.183 0.430) 3.298 2.926 ( -0.157 3.718 -4.499) 5.839 2.959 ( 1.395 -1.319 -2.692) 3.306 2.989 ( -0.935 -0.751 -3.413) 3.617 3.040 ( 0.537 -7.437 3.329) 8.165 3.086 ( 0.575 0.556 -1.460) 1.665 3.119 ( -0.899 -4.982 -0.298) 5.072 3.138 ( 2.801 0.460 -1.241) 3.098 3.190 ( 0.367 -4.513 0.009) 4.528 3.207 ( -3.781 -6.543 3.877) 8.493 3.241 ( -4.058 0.523 -1.518) 4.364 3.264 ( -0.135 -1.215 -1.147) 1.677 3.291 ( -1.031 -0.243 -1.116) 1.538 3.346 ( 0.685 -6.112 -4.540) 7.645 3.417 ( -1.612 -0.619 0.501) 1.798 3.458 ( -0.381 -1.983 -1.220) 2.359 3.493 ( -0.247 2.420 0.134) 2.437 3.526 ( 1.055 1.045 -2.745) 3.121 3.551 ( -0.016 1.322 -1.443) 1.957 3.573 ( -2.512 -2.960 0.978) 4.003 3.657 ( 4.678 2.543 0.005) 5.325 3.717 ( 0.954 2.152 0.354) 2.381 3.758 ( 2.973 -1.666 1.371) 3.673 3.788 ( 3.761 2.736 1.665) 4.940 3.819 ( 0.068 -1.879 1.290) 2.280 3.867 ( 3.112 -0.599 -1.312) 3.430 3.936 ( 0.228 4.289 1.035) 4.418 4.081 ( 0.811 -1.815 1.637) 2.575 4.102 ( 0.212 1.068 -1.942) 2.226 4.132 ( -1.306 2.036 -0.042) 2.420 4.138 ( -0.758 4.753 1.228) 4.967 4.259 ( -0.142 0.480 -1.897) 1.962 4.357 ( -0.808 8.971 -1.744) 9.175 4.400 ( -1.352 4.551 0.477) 4.772 4.503 ( -3.554 -3.725 1.762) 5.442 4.581 ( 0.317 0.468 -1.072) 1.212 4.648 ( -0.670 2.869 -1.689) 3.396 4.676 ( -1.586 1.554 -1.521) 2.691 4.680 ( 0.317 0.521 -1.109) 1.265 4.744 ( -1.299 -1.155 1.524) 2.312 4.770 ( -2.273 1.579 0.819) 2.886 4.820 ( -0.668 -2.117 -0.412) 2.258 4.837 ( -0.847 -1.051 1.162) 1.782 4.886 ( 1.036 -0.326 1.978) 2.257 4.928 ( 1.827 0.455 0.472) 1.941 4.967 ( 1.925 1.220 -0.240) 2.292 5.065 ( 0.432 -5.861 1.930) 6.186 5.130 ( 1.070 -4.399 -0.345) 4.540 5.248 ( 0.895 -1.201 2.845) 3.215 5.290 ( 0.891 0.557 0.919) 1.396 5.401 ( 3.452 -5.515 1.454) 6.666 5.437 ( 1.225 -8.727 3.679) 9.550 5.746 ( 0.858 3.370 1.132) 3.657 5.782 ( 2.573 2.006 -0.274) 3.274 5.887 ( -0.549 -0.381 -0.142) 0.683 5.944 ( 1.112 -3.374 -0.158) 3.556 8.441 ( -0.141 1.576 -0.134) 1.588 8.452 ( 0.186 1.960 -0.482) 2.027 8.522 ( 0.260 -1.447 0.349) 1.511 8.541 ( 0.253 -1.456 -0.071) 1.479 9.437 ( -0.057 6.781 0.027) 6.781 9.446 ( -0.252 6.629 -0.167) 6.636 9.785 ( 0.150 -9.315 0.316) 9.321 9.806 ( 0.066 -9.363 -0.297) 9.368 10.149 ( -0.224 -0.004 0.182) 0.289 10.184 ( 1.027 2.354 -0.837) 2.701 10.226 ( 1.008 -1.488 0.732) 1.941 10.284 ( 1.665 -1.331 -0.528) 2.196 10.405 ( -1.130 6.796 -0.482) 6.907 10.432 ( -0.550 7.207 -0.148) 7.230 10.565 ( 0.099 -1.802 0.225) 1.819 10.584 ( 0.274 -2.556 -0.516) 2.622 10.690 ( -1.336 2.104 -0.146) 2.496 10.722 ( -2.484 3.261 0.047) 4.100 10.800 ( -4.502 -2.989 -1.801) 5.696 10.874 ( -4.912 -3.274 0.963) 5.981 11.255 ( 0.177 6.392 0.795) 6.444 11.363 ( 3.042 13.255 -6.113) 14.911 11.493 ( 0.803 -4.050 0.829) 4.211 11.585 ( 2.502 -0.858 -2.974) 3.980 12.736 ( 0.242 0.614 -0.093) 0.667 12.739 ( 0.115 0.641 -0.000) 0.651 12.765 ( 0.193 -0.565 -0.005) 0.597 12.768 ( 0.088 -0.606 0.008) 0.613 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.570 -8.184 9.225) 12.597 0.917 ( -2.570 8.184 9.225) 12.597 1.130 ( 2.777 -4.186 -3.289) 6.004 1.130 ( 2.777 4.186 -3.289) 6.004 1.377 ( 0.364 -9.323 11.822) 15.060 1.377 ( 0.364 9.323 11.822) 15.060 1.532 ( 1.179 -4.807 -2.415) 5.507 1.532 ( 1.179 4.807 -2.415) 5.507 1.702 ( 0.929 -8.893 -2.646) 9.325 1.702 ( 0.929 8.893 -2.646) 9.325 1.820 ( -0.936 -1.568 1.471) 2.345 1.820 ( -0.936 1.568 1.471) 2.345 1.877 ( -2.545 -13.796 3.907) 14.563 1.877 ( -2.545 13.796 3.907) 14.563 2.034 ( -0.165 -4.275 -4.156) 5.964 2.034 ( -0.165 4.275 -4.156) 5.964 2.117 ( 2.984 -2.353 4.335) 5.765 2.117 ( 2.984 2.353 4.335) 5.765 2.175 ( 1.729 -7.154 2.434) 7.752 2.175 ( 1.729 7.154 2.434) 7.752 2.268 ( -2.912 -1.901 -0.690) 3.545 2.268 ( -2.912 1.901 -0.690) 3.545 2.310 ( -0.545 -3.737 -1.664) 4.127 2.310 ( -0.545 3.737 -1.664) 4.127 2.346 ( 1.125 -2.389 -1.016) 2.829 2.346 ( 1.125 2.389 -1.017) 2.829 2.463 ( 1.227 -5.982 4.491) 7.580 2.463 ( 1.227 5.982 4.491) 7.580 2.576 ( -0.963 -6.389 -2.462) 6.914 2.576 ( -0.963 6.389 -2.462) 6.914 2.725 ( 1.182 -1.617 0.032) 2.003 2.725 ( 1.182 1.617 0.032) 2.003 2.762 ( -1.563 -3.389 -2.827) 4.682 2.762 ( -1.563 3.389 -2.827) 4.682 2.821 ( -1.247 -2.759 0.610) 3.089 2.821 ( -1.247 2.759 0.610) 3.089 2.886 ( -0.555 -3.326 -0.241) 3.381 2.886 ( -0.555 3.326 -0.241) 3.381 2.953 ( 0.308 -3.334 -4.535) 5.638 2.953 ( 0.308 3.334 -4.535) 5.638 3.033 ( 0.247 -2.551 -1.096) 2.787 3.033 ( 0.247 2.551 -1.096) 2.787 3.061 ( -0.840 -1.504 -0.150) 1.729 3.061 ( -0.840 1.504 -0.150) 1.729 3.163 ( 0.409 -2.271 -0.659) 2.399 3.163 ( 0.409 2.271 -0.659) 2.399 3.211 ( -1.276 -1.050 -0.881) 1.873 3.211 ( -1.276 1.050 -0.881) 1.873 3.274 ( 2.320 -2.216 -1.261) 3.447 3.274 ( 2.320 2.216 -1.261) 3.447 3.433 ( -0.096 -0.819 2.313) 2.456 3.433 ( -0.096 0.819 2.313) 2.456 3.498 ( -1.434 -1.539 -0.299) 2.125 3.498 ( -1.434 1.540 -0.299) 2.125 3.539 ( 0.969 -0.964 -2.327) 2.699 3.539 ( 0.969 0.964 -2.327) 2.699 3.759 ( -0.346 -2.910 1.191) 3.164 3.759 ( -0.346 2.910 1.191) 3.164 3.790 ( 1.533 -2.846 -1.610) 3.611 3.790 ( 1.533 2.846 -1.610) 3.611 3.907 ( 1.928 -0.790 2.156) 2.998 3.907 ( 1.928 0.790 2.156) 2.998 3.998 ( -2.072 -2.244 -1.757) 3.524 3.998 ( -2.072 2.244 -1.757) 3.524 4.148 ( 1.010 -0.578 2.728) 2.965 4.148 ( 1.010 0.578 2.728) 2.965 4.213 ( -0.302 -1.349 -2.208) 2.605 4.213 ( -0.302 1.349 -2.208) 2.605 4.418 ( -1.227 -4.273 3.435) 5.618 4.418 ( -1.227 4.273 3.435) 5.618 4.508 ( 0.198 -5.278 -4.633) 7.026 4.508 ( 0.198 5.278 -4.633) 7.026 4.686 ( -0.677 -3.266 2.116) 3.950 4.686 ( -0.677 3.266 2.116) 3.950 4.728 ( 0.074 -4.227 -1.454) 4.470 4.728 ( 0.074 4.227 -1.454) 4.470 4.771 ( -0.484 -5.306 3.019) 6.124 4.771 ( -0.484 5.306 3.019) 6.124 4.839 ( 0.853 -4.957 -2.557) 5.643 4.839 ( 0.853 4.957 -2.557) 5.643 5.006 ( 0.467 -3.439 2.479) 4.265 5.006 ( 0.467 3.439 2.479) 4.265 5.037 ( -0.386 -4.320 -0.492) 4.365 5.037 ( -0.386 4.320 -0.492) 4.365 5.279 ( -0.406 -1.640 2.708) 3.192 5.279 ( -0.406 1.640 2.708) 3.192 5.377 ( 0.220 -1.809 -0.355) 1.857 5.377 ( 0.220 1.809 -0.355) 1.857 5.812 ( 0.643 -1.363 0.818) 1.715 5.812 ( 0.643 1.363 0.818) 1.715 5.885 ( -0.716 -1.101 -0.411) 1.376 5.885 ( -0.716 1.101 -0.411) 1.376 8.471 ( -0.028 -0.581 -0.164) 0.604 8.471 ( -0.028 0.581 -0.164) 0.604 8.514 ( -0.014 -0.552 0.074) 0.557 8.514 ( -0.014 0.552 0.074) 0.557 9.591 ( 0.077 -3.306 -0.018) 3.307 9.591 ( 0.077 3.306 -0.018) 3.307 9.614 ( -0.071 -3.526 -0.032) 3.527 9.614 ( -0.071 3.526 -0.032) 3.527 10.203 ( 0.433 -3.208 1.485) 3.561 10.203 ( 0.433 3.208 1.485) 3.561 10.239 ( -0.422 -3.188 -1.829) 3.700 10.239 ( -0.422 3.188 -1.829) 3.700 10.483 ( -0.286 -0.635 -0.267) 0.746 10.483 ( -0.286 0.635 -0.267) 0.746 10.543 ( 0.456 -0.562 0.145) 0.738 10.543 ( 0.456 0.562 0.145) 0.738 10.737 ( 1.026 -1.820 0.114) 2.093 10.737 ( 1.026 1.820 0.114) 2.093 10.753 ( -1.036 -1.995 -0.222) 2.259 10.753 ( -1.036 1.995 -0.222) 2.259 11.414 ( -0.024 -7.341 2.975) 7.921 11.414 ( -0.024 7.341 2.975) 7.921 11.509 ( -0.007 -6.303 -6.016) 8.713 11.509 ( -0.007 6.303 -6.016) 8.713 12.749 ( 0.019 -0.043 -0.070) 0.084 12.749 ( 0.019 0.043 -0.070) 0.084 12.757 ( -0.011 -0.013 0.029) 0.034 12.757 ( -0.011 0.013 0.029) 0.034 ======================= Grid point 86 (49/54) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 3.277 -5.458 4.689) 7.907 0.991 ( 3.277 5.458 4.689) 7.907 1.185 ( 7.599 -4.139 -4.875) 9.931 1.185 ( 7.599 4.139 -4.875) 9.931 1.452 ( -0.999 -6.073 3.589) 7.125 1.452 ( -0.999 6.073 3.589) 7.125 1.535 ( 2.942 -8.868 -5.209) 10.697 1.535 ( 2.942 8.868 -5.209) 10.697 1.683 ( 1.643 -4.401 -0.060) 4.698 1.683 ( 1.643 4.401 -0.060) 4.698 1.837 ( -2.052 -3.644 0.299) 4.192 1.837 ( -2.052 3.644 0.299) 4.192 1.905 ( 1.008 -3.028 5.451) 6.316 1.905 ( 1.008 3.028 5.451) 6.316 2.022 ( 1.796 -4.036 -2.731) 5.194 2.022 ( 1.796 4.036 -2.731) 5.194 2.117 ( -1.726 -9.864 -0.868) 10.051 2.117 ( -1.726 9.864 -0.868) 10.051 2.182 ( -1.576 -6.104 -2.407) 6.748 2.182 ( -1.576 6.104 -2.407) 6.748 2.246 ( -0.753 -2.517 2.494) 3.623 2.246 ( -0.753 2.517 2.494) 3.623 2.319 ( 1.935 -3.204 -1.201) 3.932 2.319 ( 1.935 3.204 -1.201) 3.932 2.360 ( 1.764 -2.255 0.367) 2.886 2.360 ( 1.764 2.255 0.367) 2.886 2.474 ( -2.363 -9.001 -1.095) 9.370 2.474 ( -2.363 9.001 -1.095) 9.370 2.588 ( 3.956 -1.564 2.531) 4.950 2.588 ( 3.956 1.564 2.531) 4.950 2.697 ( -2.085 -1.757 -0.846) 2.855 2.697 ( -2.085 1.757 -0.846) 2.855 2.765 ( -1.510 -2.628 1.215) 3.265 2.765 ( -1.510 2.628 1.215) 3.266 2.811 ( 4.681 -3.334 0.891) 5.815 2.811 ( 4.681 3.334 0.891) 5.815 2.901 ( -1.463 -5.701 -1.300) 6.028 2.901 ( -1.463 5.701 -1.300) 6.028 2.949 ( 2.147 -4.887 0.870) 5.408 2.949 ( 2.147 4.887 0.870) 5.408 3.025 ( -1.499 -0.675 -0.769) 1.815 3.025 ( -1.499 0.675 -0.769) 1.815 3.062 ( 1.749 -2.193 0.935) 2.956 3.062 ( 1.749 2.193 0.935) 2.956 3.156 ( -0.398 -4.312 0.146) 4.333 3.156 ( -0.398 4.312 0.146) 4.333 3.213 ( 1.727 -0.857 -0.446) 1.979 3.213 ( 1.727 0.857 -0.446) 1.979 3.306 ( 3.158 -2.346 -2.281) 4.548 3.306 ( 3.158 2.346 -2.281) 4.548 3.429 ( -1.801 -0.858 0.582) 2.078 3.429 ( -1.801 0.858 0.582) 2.078 3.501 ( 0.364 -0.308 1.825) 1.887 3.501 ( 0.364 0.308 1.825) 1.887 3.547 ( 1.994 -1.692 -1.067) 2.825 3.547 ( 1.994 1.692 -1.067) 2.825 3.722 ( -3.459 -3.045 -0.683) 4.659 3.722 ( -3.459 3.045 -0.683) 4.659 3.786 ( -0.973 -2.939 -1.549) 3.462 3.786 ( -0.973 2.939 -1.549) 3.462 3.880 ( -3.454 -1.397 -1.995) 4.227 3.880 ( -3.454 1.397 -1.995) 4.227 4.001 ( 0.560 -3.454 2.749) 4.450 4.001 ( 0.560 3.454 2.749) 4.450 4.126 ( -2.493 -0.666 -1.415) 2.943 4.126 ( -2.493 0.666 -1.415) 2.943 4.233 ( 1.737 -1.059 0.374) 2.068 4.233 ( 1.737 1.059 0.374) 2.068 4.447 ( 0.478 -5.076 3.062) 5.947 4.447 ( 0.478 5.076 3.062) 5.947 4.495 ( 2.263 -3.076 -1.864) 4.250 4.495 ( 2.263 3.076 -1.864) 4.250 4.685 ( -1.017 -3.067 1.133) 3.424 4.685 ( -1.017 3.067 1.133) 3.424 4.726 ( 0.391 -4.057 -0.106) 4.077 4.726 ( 0.391 4.057 -0.106) 4.077 4.787 ( -0.216 -3.483 1.328) 3.734 4.787 ( -0.216 3.483 1.328) 3.734 4.837 ( 1.640 -3.345 -1.814) 4.143 4.837 ( 1.640 3.345 -1.814) 4.143 5.002 ( -1.713 -4.347 0.029) 4.672 5.002 ( -1.713 4.347 0.029) 4.672 5.036 ( 0.001 -3.687 0.048) 3.687 5.036 ( 0.001 3.687 0.048) 3.687 5.277 ( -1.834 -1.961 0.995) 2.864 5.277 ( -1.834 1.961 0.995) 2.864 5.373 ( -0.221 -2.875 -0.460) 2.920 5.373 ( -0.221 2.875 -0.460) 2.920 5.811 ( -0.591 -0.916 -0.830) 1.370 5.811 ( -0.591 0.916 -0.830) 1.370 5.875 ( -0.711 -1.764 0.985) 2.142 5.875 ( -0.711 1.764 0.985) 2.142 8.467 ( -0.289 -1.078 0.032) 1.116 8.467 ( -0.289 1.078 0.032) 1.116 8.513 ( -0.107 -0.872 0.004) 0.878 8.513 ( -0.107 0.872 0.004) 0.878 9.593 ( 0.168 -0.822 -0.129) 0.849 9.593 ( 0.168 0.822 -0.129) 0.849 9.614 ( 0.003 -0.812 0.109) 0.819 9.614 ( 0.003 0.812 0.109) 0.819 10.198 ( -1.516 -3.012 -0.420) 3.398 10.198 ( -1.516 3.012 -0.420) 3.398 10.226 ( -0.255 -3.030 0.308) 3.056 10.226 ( -0.255 3.030 0.308) 3.056 10.492 ( 1.034 -2.318 0.409) 2.571 10.492 ( 1.034 2.318 0.409) 2.571 10.541 ( -0.209 -1.455 -0.522) 1.560 10.541 ( -0.209 1.455 -0.522) 1.560 10.735 ( 0.741 -2.731 -0.073) 2.831 10.735 ( 0.741 2.731 -0.073) 2.831 10.804 ( 4.660 -4.987 0.017) 6.825 10.804 ( 4.660 4.987 0.017) 6.825 11.430 ( -1.535 -3.434 2.173) 4.344 11.430 ( -1.535 3.434 2.173) 4.344 11.446 ( -1.895 -3.312 -2.462) 4.541 11.446 ( -1.895 3.312 -2.462) 4.541 12.748 ( -0.128 -0.420 -0.023) 0.440 12.748 ( -0.128 0.420 -0.023) 0.440 12.757 ( -0.121 -0.382 0.007) 0.401 12.757 ( -0.121 0.382 0.007) 0.401 ======================= Grid point 88 (50/54) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 4.297 -5.545 0.159) 7.017 1.082 ( 4.297 5.545 0.159) 7.017 1.212 ( 0.802 -5.703 -8.080) 9.923 1.212 ( 0.802 5.703 -8.080) 9.923 1.443 ( 2.255 -4.193 -4.030) 6.238 1.443 ( 2.255 4.193 -4.030) 6.238 1.557 ( 3.374 -6.455 -1.201) 7.382 1.557 ( 3.374 6.455 -1.201) 7.382 1.731 ( -4.091 -9.834 -0.022) 10.651 1.731 ( -4.091 9.834 -0.022) 10.651 1.804 ( 2.179 -3.242 1.113) 4.061 1.804 ( 2.179 3.242 1.113) 4.061 1.918 ( -0.688 -0.939 0.020) 1.165 1.918 ( -0.688 0.939 0.020) 1.165 2.009 ( -0.283 -3.269 -1.870) 3.777 2.009 ( -0.283 3.269 -1.870) 3.777 2.072 ( -0.681 -2.586 -2.512) 3.669 2.072 ( -0.681 2.586 -2.512) 3.669 2.170 ( 1.629 -8.718 0.944) 8.919 2.170 ( 1.629 8.718 0.944) 8.919 2.281 ( -0.923 -1.523 5.057) 5.361 2.281 ( -0.923 1.523 5.057) 5.361 2.344 ( 3.520 -3.632 -0.132) 5.060 2.344 ( 3.520 3.632 -0.132) 5.060 2.408 ( 4.357 -2.785 0.325) 5.181 2.408 ( 4.357 2.785 0.325) 5.181 2.487 ( 2.396 -3.843 1.805) 4.875 2.487 ( 2.396 3.843 1.805) 4.875 2.649 ( -1.397 -2.600 2.441) 3.830 2.649 ( -1.397 2.600 2.441) 3.830 2.680 ( 2.603 -3.573 -1.810) 4.777 2.680 ( 2.603 3.573 -1.810) 4.777 2.767 ( -0.247 -6.603 2.072) 6.925 2.767 ( -0.247 6.603 2.072) 6.925 2.825 ( -2.516 -4.741 -3.001) 6.149 2.825 ( -2.516 4.741 -3.001) 6.149 2.906 ( 1.517 -1.728 0.927) 2.479 2.906 ( 1.517 1.728 0.927) 2.479 2.954 ( -3.026 -4.025 -1.844) 5.363 2.954 ( -3.026 4.025 -1.844) 5.363 3.015 ( 2.673 -3.345 0.767) 4.350 3.015 ( 2.673 3.345 0.767) 4.350 3.098 ( 0.388 -2.414 -0.256) 2.459 3.098 ( 0.388 2.414 -0.256) 2.459 3.176 ( 1.601 -3.829 1.522) 4.420 3.176 ( 1.601 3.829 1.522) 4.420 3.233 ( 1.429 -2.120 -0.210) 2.565 3.233 ( 1.429 2.120 -0.210) 2.565 3.356 ( 4.649 -1.527 -0.199) 4.898 3.356 ( 4.649 1.527 -0.199) 4.898 3.408 ( -1.449 -1.526 1.632) 2.663 3.408 ( -1.449 1.526 1.632) 2.663 3.505 ( -0.976 -0.723 0.232) 1.236 3.505 ( -0.976 0.723 0.232) 1.236 3.591 ( 2.915 -1.409 1.134) 3.431 3.591 ( 2.915 1.409 1.134) 3.431 3.653 ( -3.370 -3.370 -1.255) 4.928 3.653 ( -3.370 3.370 -1.255) 4.928 3.736 ( -2.862 -2.835 -0.929) 4.134 3.736 ( -2.862 2.835 -0.929) 4.134 3.814 ( -1.908 -1.919 -2.214) 3.496 3.814 ( -1.908 1.919 -2.214) 3.496 4.002 ( -2.755 -3.431 0.505) 4.429 4.002 ( -2.755 3.431 0.505) 4.429 4.100 ( 0.486 -0.807 0.261) 0.978 4.100 ( 0.486 0.807 0.261) 0.978 4.238 ( -1.459 -2.156 0.262) 2.616 4.238 ( -1.459 2.156 0.262) 2.616 4.465 ( 1.463 -4.517 -1.356) 4.938 4.465 ( 1.463 4.517 -1.356) 4.938 4.551 ( 1.982 -0.857 3.268) 3.917 4.551 ( 1.982 0.857 3.268) 3.917 4.674 ( -0.723 -1.726 -0.011) 1.872 4.674 ( -0.723 1.726 -0.011) 1.872 4.736 ( 0.197 -4.561 1.494) 4.803 4.736 ( 0.197 4.561 1.494) 4.803 4.796 ( 0.757 -1.366 -0.001) 1.562 4.796 ( 0.757 1.366 -0.001) 1.562 4.856 ( 1.438 -1.098 -0.357) 1.844 4.856 ( 1.438 1.098 -0.357) 1.844 4.970 ( -1.048 -3.690 -1.381) 4.077 4.970 ( -1.048 3.690 -1.381) 4.077 5.023 ( -1.340 -4.143 -0.316) 4.365 5.023 ( -1.340 4.143 -0.316) 4.365 5.244 ( -2.323 -2.767 -0.264) 3.623 5.244 ( -2.323 2.767 -0.264) 3.623 5.360 ( -0.687 -2.693 -0.749) 2.878 5.360 ( -0.687 2.693 -0.749) 2.878 5.795 ( -0.096 -0.677 -0.834) 1.078 5.795 ( -0.096 0.677 -0.834) 1.078 5.871 ( -0.843 -1.523 0.892) 1.956 5.871 ( -0.843 1.523 0.892) 1.956 8.465 ( 0.024 -0.971 0.234) 0.999 8.465 ( 0.024 0.971 0.234) 0.999 8.510 ( -0.152 -1.186 -0.154) 1.206 8.510 ( -0.152 1.186 -0.154) 1.206 9.594 ( 0.116 -2.473 -0.183) 2.483 9.594 ( 0.116 2.473 -0.183) 2.483 9.615 ( -0.028 -2.743 0.131) 2.747 9.615 ( -0.028 2.743 0.131) 2.747 10.174 ( -0.743 -2.022 -0.225) 2.166 10.174 ( -0.743 2.022 -0.225) 2.166 10.216 ( -1.036 -2.466 0.057) 2.676 10.216 ( -1.036 2.466 0.057) 2.676 10.515 ( 0.738 -3.696 0.677) 3.829 10.515 ( 0.738 3.696 0.677) 3.829 10.535 ( 0.167 -2.918 -0.329) 2.941 10.535 ( 0.167 2.918 -0.329) 2.941 10.768 ( 2.370 -3.684 1.176) 4.536 10.768 ( 2.370 3.684 1.176) 4.536 10.877 ( 4.174 -6.329 -1.086) 7.659 10.877 ( 4.174 6.329 -1.086) 7.659 11.381 ( -1.995 -5.699 -1.977) 6.353 11.381 ( -1.995 5.699 -1.977) 6.353 11.431 ( -2.412 -5.490 3.028) 6.717 11.431 ( -2.412 5.490 3.028) 6.717 12.745 ( -0.134 -0.675 0.055) 0.690 12.745 ( -0.134 0.675 0.055) 0.690 12.754 ( -0.191 -0.628 -0.037) 0.658 12.754 ( -0.191 0.628 -0.037) 0.658 ======================= Grid point 90 (51/54) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.760 -1.388 -3.821) 5.538 1.096 ( -3.760 1.388 -3.821) 5.538 1.145 ( 1.547 -5.440 -2.832) 6.325 1.145 ( 1.547 5.440 -2.832) 6.325 1.421 ( -2.660 -3.110 -2.378) 4.734 1.421 ( -2.660 3.110 -2.378) 4.734 1.539 ( 0.637 -6.364 -6.279) 8.963 1.539 ( 0.637 6.364 -6.279) 8.963 1.705 ( 0.318 -4.132 2.791) 4.996 1.705 ( 0.318 4.132 2.791) 4.996 1.783 ( -1.499 -3.371 -3.102) 4.820 1.783 ( -1.499 3.371 -3.103) 4.820 1.937 ( 0.595 -5.565 0.471) 5.617 1.937 ( 0.595 5.565 0.471) 5.617 2.029 ( -1.425 -0.865 0.809) 1.853 2.029 ( -1.425 0.865 0.809) 1.853 2.089 ( 5.670 -2.763 1.762) 6.549 2.089 ( 5.670 2.763 1.762) 6.549 2.193 ( 0.729 -5.814 -0.528) 5.883 2.193 ( 0.729 5.814 -0.528) 5.883 2.320 ( -0.008 -1.991 5.219) 5.586 2.320 ( -0.008 1.991 5.219) 5.586 2.440 ( 4.696 -2.392 3.075) 6.102 2.440 ( 4.696 2.392 3.075) 6.102 2.465 ( 2.939 -1.927 -0.196) 3.520 2.465 ( 2.939 1.927 -0.196) 3.520 2.573 ( 4.204 -0.178 1.988) 4.654 2.573 ( 4.204 0.178 1.988) 4.654 2.604 ( -4.571 -2.618 1.861) 5.587 2.604 ( -4.571 2.618 1.861) 5.587 2.689 ( -0.773 -1.275 -1.749) 2.299 2.689 ( -0.773 1.275 -1.749) 2.298 2.736 ( -3.301 -0.894 -1.348) 3.676 2.736 ( -3.301 0.894 -1.348) 3.676 2.815 ( 1.238 -4.706 -0.611) 4.905 2.815 ( 1.238 4.706 -0.611) 4.905 2.868 ( -2.611 -4.872 -3.703) 6.653 2.868 ( -2.611 4.872 -3.703) 6.653 2.914 ( 0.097 -4.004 0.121) 4.007 2.914 ( 0.097 4.004 0.121) 4.007 3.038 ( -0.285 -3.668 -1.313) 3.907 3.038 ( -0.285 3.668 -1.313) 3.907 3.078 ( -0.233 -2.446 -1.445) 2.850 3.078 ( -0.233 2.446 -1.445) 2.850 3.204 ( 0.109 -2.009 2.425) 3.151 3.204 ( 0.109 2.009 2.425) 3.151 3.299 ( 4.597 -1.578 -0.923) 4.948 3.299 ( 4.597 1.578 -0.923) 4.948 3.375 ( 0.020 -2.431 0.997) 2.627 3.375 ( 0.020 2.431 0.997) 2.627 3.449 ( 0.580 -0.896 1.299) 1.681 3.449 ( 0.580 0.896 1.299) 1.681 3.504 ( 1.718 -2.117 0.951) 2.888 3.504 ( 1.718 2.117 0.951) 2.888 3.593 ( -2.522 -3.026 -1.319) 4.154 3.593 ( -2.522 3.026 -1.319) 4.154 3.640 ( 1.470 -1.133 -0.207) 1.867 3.640 ( 1.470 1.133 -0.207) 1.867 3.705 ( -0.307 -2.546 0.960) 2.738 3.705 ( -0.307 2.546 0.960) 2.738 3.783 ( -0.006 -2.905 0.239) 2.915 3.783 ( -0.006 2.905 0.239) 2.915 3.943 ( -2.840 -1.516 -2.344) 3.982 3.943 ( -2.840 1.516 -2.344) 3.982 4.122 ( 0.677 -1.027 1.166) 1.695 4.122 ( 0.677 1.027 1.166) 1.695 4.204 ( -1.993 -1.667 -0.116) 2.601 4.204 ( -1.993 1.667 -0.116) 2.601 4.481 ( 0.957 -3.984 -0.101) 4.099 4.481 ( 0.957 3.984 -0.101) 4.099 4.571 ( -0.750 -1.743 -0.394) 1.938 4.571 ( -0.750 1.743 -0.394) 1.938 4.691 ( 1.250 -2.282 2.634) 3.703 4.691 ( 1.250 2.282 2.634) 3.703 4.757 ( 0.259 -5.959 1.692) 6.200 4.757 ( 0.259 5.959 1.692) 6.200 4.806 ( -0.060 -0.868 0.461) 0.985 4.806 ( -0.060 0.868 0.461) 0.985 4.863 ( 0.036 -3.116 -1.115) 3.310 4.863 ( 0.036 3.116 -1.115) 3.310 4.961 ( 1.839 -3.171 -1.479) 3.953 4.961 ( 1.839 3.171 -1.479) 3.953 4.989 ( -2.493 -4.433 -0.141) 5.088 4.989 ( -2.493 4.433 -0.141) 5.088 5.205 ( -1.739 -2.389 -0.438) 2.987 5.205 ( -1.739 2.389 -0.438) 2.987 5.343 ( -0.343 -1.699 -0.780) 1.901 5.343 ( -0.343 1.699 -0.780) 1.901 5.792 ( 0.165 -0.577 -0.402) 0.722 5.792 ( 0.165 0.577 -0.402) 0.722 5.866 ( -0.423 -0.801 0.493) 1.031 5.866 ( -0.423 0.801 0.493) 1.031 8.470 ( 0.191 -0.588 0.227) 0.658 8.470 ( 0.191 0.588 0.227) 0.658 8.507 ( -0.076 -0.874 -0.136) 0.887 8.507 ( -0.076 0.874 -0.136) 0.887 9.593 ( 0.048 -1.270 -0.165) 1.282 9.593 ( 0.048 1.270 -0.165) 1.282 9.615 ( -0.064 -1.236 0.078) 1.240 9.615 ( -0.064 1.236 0.078) 1.240 10.171 ( 0.188 -1.393 0.345) 1.447 10.171 ( 0.188 1.393 0.345) 1.447 10.198 ( -0.791 -1.748 -0.503) 1.984 10.198 ( -0.791 1.748 -0.503) 1.984 10.523 ( -0.046 -2.043 0.230) 2.056 10.523 ( -0.046 2.043 0.230) 2.056 10.541 ( 0.401 -1.756 0.130) 1.806 10.541 ( 0.401 1.756 0.130) 1.806 10.820 ( 1.558 -4.624 2.178) 5.344 10.820 ( 1.558 4.624 2.178) 5.344 10.912 ( 1.532 -6.639 -1.985) 7.097 10.912 ( 1.532 6.639 -1.985) 7.097 11.344 ( -0.992 -2.201 -0.694) 2.512 11.344 ( -0.992 2.201 -0.694) 2.512 11.421 ( -0.789 -1.955 1.392) 2.527 11.421 ( -0.789 1.955 1.392) 2.527 12.745 ( -0.013 -0.774 0.104) 0.781 12.745 ( -0.013 0.774 0.104) 0.781 12.750 ( -0.121 -0.731 -0.082) 0.746 12.750 ( -0.121 0.731 -0.082) 0.746 ======================= Grid point 92 (52/54) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -10.008 -8.078 4.284) 13.557 0.964 ( -10.008 8.078 4.284) 13.557 1.166 ( 2.329 -4.158 -1.890) 5.127 1.166 ( 2.329 4.158 -1.890) 5.127 1.344 ( -6.234 -5.768 3.307) 9.115 1.344 ( -6.234 5.768 3.307) 9.115 1.549 ( 7.119 -2.540 -5.664) 9.445 1.549 ( 7.119 2.540 -5.664) 9.446 1.701 ( -2.808 -2.222 2.021) 4.112 1.701 ( -2.808 2.222 2.021) 4.112 1.773 ( 2.232 -3.132 -1.719) 4.213 1.773 ( 2.232 3.132 -1.719) 4.213 1.924 ( -3.055 -2.125 0.965) 3.844 1.924 ( -3.055 2.125 0.965) 3.844 2.028 ( 0.325 -3.581 1.412) 3.863 2.028 ( 0.325 3.581 1.412) 3.863 2.137 ( -2.020 -1.368 -1.146) 2.695 2.137 ( -2.020 1.368 -1.146) 2.695 2.191 ( 0.059 -2.674 -1.671) 3.154 2.191 ( 0.059 2.674 -1.671) 3.154 2.363 ( 0.534 -2.277 3.165) 3.935 2.363 ( 0.534 2.277 3.165) 3.935 2.458 ( -2.546 -4.042 -1.994) 5.177 2.458 ( -2.546 4.042 -1.994) 5.177 2.502 ( -5.435 -2.265 0.986) 5.970 2.502 ( -5.435 2.265 0.986) 5.970 2.557 ( 0.595 -1.389 3.807) 4.096 2.557 ( 0.595 1.389 3.807) 4.096 2.597 ( -4.555 -2.334 -2.795) 5.831 2.597 ( -4.555 2.334 -2.795) 5.831 2.659 ( -1.114 -1.935 4.191) 4.749 2.659 ( -1.114 1.935 4.191) 4.749 2.712 ( 3.281 -2.269 -1.338) 4.207 2.712 ( 3.281 2.269 -1.338) 4.207 2.809 ( 1.449 -1.946 1.322) 2.764 2.809 ( 1.449 1.946 1.322) 2.764 2.859 ( 2.912 -3.089 -3.168) 5.297 2.859 ( 2.912 3.089 -3.168) 5.297 2.927 ( 1.425 -0.687 -0.622) 1.699 2.927 ( 1.425 0.687 -0.622) 1.699 3.018 ( -0.839 -1.684 0.671) 1.998 3.018 ( -0.839 1.684 0.671) 1.998 3.077 ( 1.650 -0.196 -1.513) 2.248 3.077 ( 1.650 0.196 -1.513) 2.248 3.225 ( -0.322 -1.295 1.257) 1.833 3.225 ( -0.322 1.295 1.257) 1.833 3.304 ( 0.193 -2.240 -2.826) 3.611 3.304 ( 0.193 2.240 -2.826) 3.611 3.430 ( 0.484 -3.299 -0.825) 3.435 3.430 ( 0.484 3.299 -0.825) 3.435 3.437 ( 1.815 -2.384 -0.733) 3.084 3.437 ( 1.815 2.384 -0.733) 3.084 3.535 ( -1.856 -2.745 1.607) 3.682 3.535 ( -1.856 2.745 1.607) 3.682 3.546 ( -0.329 -0.647 -0.432) 0.845 3.546 ( -0.329 0.647 -0.432) 0.845 3.655 ( 1.337 -1.798 -0.110) 2.243 3.655 ( 1.337 1.798 -0.110) 2.243 3.708 ( 0.911 -1.825 -1.623) 2.606 3.708 ( 0.911 1.825 -1.623) 2.606 3.823 ( 0.669 -2.236 1.038) 2.555 3.823 ( 0.669 2.236 1.038) 2.555 3.890 ( 0.562 -1.297 -0.585) 1.530 3.890 ( 0.562 1.297 -0.585) 1.530 4.134 ( 0.013 -1.497 0.398) 1.549 4.134 ( 0.013 1.497 0.398) 1.549 4.195 ( 0.959 -1.091 0.410) 1.509 4.195 ( 0.959 1.091 0.410) 1.509 4.470 ( -2.979 -3.550 1.133) 4.771 4.470 ( -2.979 3.550 1.133) 4.771 4.572 ( 2.168 -3.711 -0.948) 4.401 4.572 ( 2.168 3.711 -0.948) 4.401 4.719 ( -0.970 -1.821 0.874) 2.240 4.719 ( -0.970 1.821 0.874) 2.240 4.772 ( 0.343 -3.023 0.491) 3.082 4.772 ( 0.343 3.023 0.491) 3.082 4.802 ( -1.111 -2.150 1.701) 2.958 4.802 ( -1.111 2.150 1.701) 2.958 4.860 ( 1.611 -2.565 -1.710) 3.478 4.860 ( 1.611 2.565 -1.710) 3.478 4.933 ( -3.623 -3.398 -0.164) 4.970 4.933 ( -3.623 3.398 -0.164) 4.970 4.996 ( 2.326 -3.143 -0.009) 3.910 4.996 ( 2.326 3.143 -0.009) 3.910 5.186 ( -0.586 -0.663 0.975) 1.317 5.186 ( -0.586 0.663 0.975) 1.317 5.339 ( 0.588 -1.231 -0.433) 1.431 5.339 ( 0.588 1.231 -0.433) 1.431 5.789 ( -0.261 -1.183 -0.131) 1.218 5.789 ( -0.261 1.183 -0.131) 1.218 5.869 ( 0.370 -0.488 0.239) 0.657 5.869 ( 0.370 0.488 0.239) 0.657 8.473 ( 0.094 -0.666 -0.054) 0.674 8.473 ( 0.094 0.666 -0.054) 0.674 8.504 ( -0.124 -0.656 0.040) 0.669 8.504 ( -0.124 0.656 0.040) 0.669 9.592 ( 0.003 -2.553 -0.094) 2.555 9.592 ( 0.003 2.553 -0.094) 2.555 9.615 ( 0.023 -2.717 0.059) 2.718 9.615 ( 0.023 2.717 0.059) 2.718 10.175 ( -0.416 -1.300 0.086) 1.367 10.175 ( -0.416 1.300 0.086) 1.367 10.193 ( 1.142 -1.404 -0.222) 1.823 10.193 ( 1.142 1.404 -0.222) 1.823 10.522 ( -0.314 -1.102 0.267) 1.177 10.522 ( -0.314 1.102 0.267) 1.177 10.546 ( 0.163 -0.962 -0.222) 1.001 10.546 ( 0.163 0.962 -0.222) 1.001 10.843 ( -1.059 -3.049 1.332) 3.491 10.843 ( -1.059 3.049 1.332) 3.491 10.892 ( -1.753 -4.432 -1.405) 4.969 10.892 ( -1.753 4.432 -1.405) 4.969 11.336 ( 0.278 -2.553 0.104) 2.570 11.336 ( 0.278 2.553 0.104) 2.570 11.443 ( 3.107 -2.197 -0.583) 3.850 11.443 ( 3.107 2.197 -0.583) 3.850 12.746 ( 0.075 -0.361 0.012) 0.369 12.746 ( 0.075 0.361 0.012) 0.369 12.749 ( 0.110 -0.368 -0.030) 0.385 12.749 ( 0.110 0.368 -0.030) 0.385 ======================= Grid point 94 (53/54) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -6.909 -10.944 12.441) 17.952 0.897 ( -6.909 10.944 12.441) 17.952 1.139 ( -6.297 -6.920 4.276) 10.287 1.139 ( -6.297 6.920 4.276) 10.287 1.303 ( -2.709 -6.270 3.744) 7.789 1.303 ( -2.709 6.270 3.744) 7.789 1.616 ( 1.444 -4.656 -5.721) 7.516 1.616 ( 1.444 4.656 -5.721) 7.516 1.709 ( 4.579 -6.094 3.871) 8.550 1.709 ( 4.579 6.094 3.871) 8.550 1.802 ( 1.652 -4.857 -0.520) 5.156 1.802 ( 1.652 4.857 -0.520) 5.156 1.872 ( -3.493 -4.160 2.788) 6.106 1.872 ( -3.493 4.160 2.788) 6.106 2.018 ( -5.058 -1.366 -2.809) 5.944 2.018 ( -5.058 1.366 -2.809) 5.944 2.058 ( -1.140 -4.265 1.855) 4.789 2.058 ( -1.140 4.265 1.855) 4.789 2.173 ( -1.292 -6.288 -1.447) 6.580 2.173 ( -1.292 6.288 -1.447) 6.580 2.345 ( -5.015 -1.989 -0.514) 5.419 2.345 ( -5.015 1.989 -0.514) 5.419 2.374 ( -1.496 -3.796 -1.414) 4.318 2.374 ( -1.496 3.796 -1.414) 4.318 2.424 ( -3.032 -3.193 -1.758) 4.741 2.424 ( -3.032 3.193 -1.758) 4.741 2.520 ( -2.782 -0.304 -0.360) 2.822 2.520 ( -2.782 0.304 -0.360) 2.822 2.580 ( -2.417 -0.505 2.972) 3.864 2.580 ( -2.417 0.505 2.972) 3.864 2.682 ( -0.481 -8.766 4.999) 10.103 2.682 ( -0.481 8.766 4.999) 10.103 2.756 ( 2.463 -2.998 -1.799) 4.277 2.756 ( 2.463 2.998 -1.799) 4.277 2.855 ( 2.212 -0.907 -0.472) 2.437 2.855 ( 2.212 0.907 -0.472) 2.437 2.899 ( 2.937 -2.415 -0.300) 3.814 2.899 ( 2.937 2.415 -0.300) 3.814 2.946 ( 2.337 -4.810 -1.243) 5.491 2.946 ( 2.337 4.810 -1.243) 5.491 3.022 ( 0.800 -3.888 -0.099) 3.970 3.022 ( 0.800 3.888 -0.099) 3.970 3.107 ( 2.891 -0.720 -1.020) 3.149 3.107 ( 2.891 0.720 -1.020) 3.149 3.194 ( -4.360 -1.130 0.540) 4.536 3.194 ( -4.360 1.130 0.540) 4.536 3.279 ( 1.028 -3.477 -4.135) 5.499 3.279 ( 1.028 3.477 -4.135) 5.499 3.377 ( -3.453 -2.929 -3.094) 5.484 3.377 ( -3.453 2.929 -3.094) 5.484 3.449 ( -0.734 -1.419 -0.987) 1.878 3.449 ( -0.734 1.419 -0.987) 1.878 3.526 ( 1.582 -0.709 -1.995) 2.643 3.526 ( 1.582 0.709 -1.995) 2.643 3.555 ( -1.001 -1.333 3.134) 3.549 3.555 ( -1.001 1.333 3.134) 3.549 3.666 ( 1.352 -1.274 -1.387) 2.318 3.666 ( 1.352 1.274 -1.387) 2.318 3.732 ( 2.197 -3.186 0.885) 3.970 3.732 ( 2.197 3.186 0.885) 3.970 3.807 ( 1.231 -3.165 -2.492) 4.212 3.807 ( 1.231 3.165 -2.492) 4.212 3.953 ( 2.789 -2.071 3.434) 4.884 3.953 ( 2.789 2.071 3.434) 4.884 4.135 ( 0.481 -1.919 -1.471) 2.465 4.135 ( 0.481 1.919 -1.471) 2.465 4.224 ( 0.962 -2.838 1.237) 3.242 4.224 ( 0.962 2.838 1.237) 3.242 4.431 ( -2.587 -4.385 1.629) 5.345 4.431 ( -2.587 4.385 1.629) 5.345 4.605 ( 1.748 -3.069 -0.872) 3.638 4.605 ( 1.748 3.069 -0.872) 3.638 4.683 ( -2.307 -4.014 -0.940) 4.724 4.683 ( -2.307 4.014 -0.940) 4.724 4.767 ( -0.846 -3.910 -0.555) 4.039 4.767 ( -0.846 3.910 -0.555) 4.039 4.792 ( -1.145 -4.207 -0.796) 4.432 4.792 ( -1.145 4.207 -0.796) 4.432 4.865 ( -1.144 -1.917 -0.535) 2.296 4.865 ( -1.144 1.917 -0.535) 2.296 4.906 ( 0.576 -3.201 3.236) 4.588 4.906 ( 0.576 3.201 3.236) 4.588 5.028 ( 1.451 -3.880 -0.100) 4.143 5.028 ( 1.451 3.880 -0.100) 4.143 5.204 ( 0.499 -1.379 2.959) 3.302 5.204 ( 0.499 1.379 2.959) 3.302 5.353 ( 1.218 -1.691 -0.088) 2.086 5.353 ( 1.218 1.691 -0.088) 2.086 5.784 ( -0.235 -1.206 0.221) 1.249 5.784 ( -0.235 1.206 0.221) 1.249 5.881 ( 0.882 -0.587 -0.013) 1.060 5.881 ( 0.882 0.587 -0.013) 1.060 8.472 ( 0.061 -0.789 -0.368) 0.872 8.472 ( 0.061 0.789 -0.368) 0.872 8.505 ( 0.076 -1.108 0.269) 1.143 8.505 ( 0.076 1.108 0.269) 1.143 9.592 ( -0.041 -4.971 -0.014) 4.971 9.592 ( -0.041 4.971 -0.014) 4.971 9.617 ( 0.040 -5.531 0.010) 5.531 9.617 ( 0.040 5.531 0.010) 5.531 10.170 ( 0.029 -1.534 0.074) 1.537 10.170 ( 0.029 1.534 0.074) 1.537 10.219 ( 1.942 -2.226 -0.186) 2.960 10.219 ( 1.942 2.226 -0.186) 2.960 10.519 ( -0.381 -2.105 0.322) 2.163 10.519 ( -0.381 2.105 0.322) 2.163 10.540 ( -0.485 -2.254 -0.668) 2.401 10.540 ( -0.485 2.254 -0.668) 2.401 10.800 ( -3.370 -4.418 -1.515) 5.760 10.800 ( -3.370 4.418 -1.515) 5.760 10.850 ( -3.206 -4.305 1.196) 5.499 10.850 ( -3.206 4.305 1.196) 5.499 11.352 ( 1.119 -5.425 0.839) 5.602 11.352 ( 1.119 5.425 0.839) 5.602 11.501 ( 5.333 -4.043 -3.276) 7.451 11.501 ( 5.333 4.043 -3.276) 7.451 12.747 ( 0.118 -0.377 -0.105) 0.408 12.747 ( 0.118 0.377 -0.105) 0.408 12.753 ( 0.234 -0.426 0.039) 0.488 12.753 ( 0.234 0.426 0.039) 0.488 ======================= Grid point 96 (54/54) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -6.517 -9.234 11.447) 16.087 0.907 ( -6.517 9.234 11.447) 16.087 1.118 ( -1.972 -1.630 6.548) 7.030 1.118 ( -1.972 1.630 6.548) 7.030 1.297 ( -3.266 -3.533 7.793) 9.159 1.297 ( -3.266 3.533 7.793) 9.159 1.550 ( -0.898 -5.339 -4.121) 6.804 1.550 ( -0.898 5.339 -4.121) 6.804 1.734 ( -2.490 -4.596 -1.676) 5.490 1.734 ( -2.490 4.596 -1.676) 5.490 1.849 ( -1.229 -3.343 1.071) 3.719 1.849 ( -1.229 3.343 1.071) 3.719 1.873 ( 0.843 -6.415 1.100) 6.563 1.873 ( 0.843 6.415 1.100) 6.563 1.991 ( 3.193 -3.379 5.956) 7.556 1.991 ( 3.193 3.379 5.956) 7.556 2.094 ( 1.339 -16.522 4.950) 17.299 2.094 ( 1.339 16.522 4.950) 17.299 2.106 ( -2.094 -3.883 -4.642) 6.404 2.106 ( -2.094 3.883 -4.642) 6.404 2.295 ( -0.621 -2.209 0.115) 2.298 2.295 ( -0.621 2.209 0.115) 2.298 2.340 ( -3.163 -4.827 -0.424) 5.787 2.340 ( -3.163 4.827 -0.424) 5.787 2.380 ( 0.422 -2.295 -2.576) 3.475 2.380 ( 0.422 2.295 -2.576) 3.475 2.454 ( -3.968 -2.858 0.536) 4.920 2.454 ( -3.968 2.858 0.536) 4.920 2.582 ( 0.272 -2.970 0.837) 3.098 2.582 ( 0.272 2.970 0.837) 3.098 2.701 ( 0.135 -4.985 0.981) 5.083 2.701 ( 0.135 4.985 0.981) 5.083 2.787 ( 1.130 -1.883 1.273) 2.538 2.787 ( 1.130 1.883 1.273) 2.538 2.851 ( -0.568 -2.776 -4.174) 5.045 2.851 ( -0.568 2.776 -4.174) 5.045 2.903 ( -0.112 -3.197 -1.676) 3.611 2.903 ( -0.112 3.197 -1.676) 3.611 2.987 ( 1.543 -3.005 -0.687) 3.447 2.987 ( 1.543 3.005 -0.687) 3.447 3.032 ( 1.132 -2.092 -1.768) 2.964 3.032 ( 1.132 2.092 -1.768) 2.964 3.097 ( -2.946 -1.390 -1.199) 3.471 3.097 ( -2.946 1.390 -1.199) 3.471 3.163 ( 1.711 -0.988 -1.322) 2.377 3.163 ( 1.711 0.988 -1.322) 2.377 3.250 ( -1.513 -1.009 -3.217) 3.695 3.250 ( -1.513 1.009 -3.217) 3.695 3.287 ( -2.654 -1.638 -1.702) 3.553 3.287 ( -2.654 1.638 -1.702) 3.553 3.422 ( -1.330 -1.728 1.286) 2.531 3.422 ( -1.330 1.728 1.286) 2.531 3.528 ( -0.541 -1.067 -1.107) 1.630 3.528 ( -0.541 1.067 -1.107) 1.630 3.549 ( -0.080 -0.612 -1.296) 1.435 3.549 ( -0.080 0.612 -1.296) 1.435 3.710 ( 3.638 -2.821 0.914) 4.693 3.710 ( 3.638 2.821 0.914) 4.693 3.774 ( 1.622 -3.065 0.420) 3.493 3.774 ( 1.622 3.065 0.420) 3.493 3.838 ( 3.559 -2.398 0.270) 4.299 3.838 ( 3.559 2.398 0.270) 4.299 4.017 ( 0.921 -4.381 2.438) 5.098 4.017 ( 0.921 4.381 2.438) 5.098 4.120 ( 0.376 -1.224 -1.978) 2.356 4.120 ( 0.376 1.224 -1.978) 2.356 4.236 ( -0.667 -3.385 0.522) 3.490 4.236 ( -0.667 3.385 0.522) 3.490 4.418 ( -1.483 -3.373 2.267) 4.326 4.418 ( -1.483 3.373 2.267) 4.326 4.570 ( -1.932 -3.659 -4.816) 6.349 4.570 ( -1.932 3.659 -4.816) 6.349 4.672 ( 0.161 -1.207 1.570) 1.987 4.672 ( 0.161 1.207 1.570) 1.987 4.744 ( -1.072 -3.905 -0.108) 4.051 4.744 ( -1.072 3.905 -0.108) 4.051 4.767 ( -1.218 -4.853 0.470) 5.026 4.767 ( -1.218 4.853 0.470) 5.026 4.848 ( 0.077 -3.341 -1.264) 3.573 4.848 ( 0.077 3.341 -1.264) 3.573 4.960 ( 1.489 -2.636 3.410) 4.560 4.960 ( 1.489 2.636 3.410) 4.560 5.042 ( 0.329 -4.179 -0.111) 4.194 5.042 ( 0.329 4.179 -0.111) 4.194 5.247 ( 0.608 -2.178 3.637) 4.282 5.247 ( 0.608 2.178 3.637) 4.282 5.371 ( 0.877 -1.834 -0.157) 2.039 5.371 ( 0.877 1.834 -0.157) 2.039 5.790 ( 0.545 -1.002 0.851) 1.423 5.790 ( 0.545 1.002 0.851) 1.423 5.892 ( 0.479 -1.656 -0.431) 1.777 5.892 ( 0.479 1.656 -0.431) 1.777 8.471 ( 0.188 -1.041 -0.346) 1.113 8.471 ( 0.188 1.041 -0.346) 1.113 8.511 ( 0.226 -1.288 0.216) 1.325 8.511 ( 0.226 1.288 0.216) 1.325 9.591 ( -0.052 -5.411 0.022) 5.411 9.591 ( -0.052 5.411 0.022) 5.411 9.616 ( -0.059 -5.968 -0.068) 5.968 9.616 ( -0.059 5.968 -0.068) 5.968 10.180 ( 0.693 -2.472 0.788) 2.686 10.180 ( 0.693 2.472 0.788) 2.686 10.245 ( 1.458 -2.836 -1.048) 3.356 10.245 ( 1.458 2.836 -1.048) 3.356 10.505 ( -1.333 -3.652 -0.694) 3.949 10.505 ( -1.333 3.652 -0.694) 3.949 10.531 ( 0.190 -2.920 0.348) 2.947 10.531 ( 0.190 2.920 0.348) 2.947 10.741 ( -1.823 -3.102 -0.635) 3.653 10.741 ( -1.823 3.102 -0.635) 3.653 10.800 ( -3.552 -4.445 0.428) 5.706 10.800 ( -3.552 4.445 0.428) 5.706 11.383 ( 0.988 -6.946 1.822) 7.249 11.383 ( 0.988 6.946 1.822) 7.249 11.537 ( 3.541 -5.151 -5.949) 8.629 11.537 ( 3.541 5.151 -5.949) 8.629 12.748 ( 0.126 -0.304 -0.092) 0.341 12.748 ( 0.126 0.304 -0.092) 0.341 12.756 ( 0.129 -0.320 0.024) 0.345 12.756 ( 0.129 0.320 0.024) 0.345 =================== 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 3/16800 10.0 56.384 54.863 95.395 0.000 -5.634 0.000 3/16800 20.0 13.559 12.513 20.716 0.000 -0.466 0.000 3/16800 30.0 5.757 5.551 8.521 0.000 -0.107 0.000 3/16800 40.0 3.385 3.402 4.908 0.000 -0.040 0.000 3/16800 50.0 2.359 2.442 3.369 0.000 -0.019 0.000 3/16800 60.0 1.809 1.914 2.555 0.000 -0.010 0.000 3/16800 70.0 1.471 1.584 2.060 0.000 -0.006 0.000 3/16800 80.0 1.243 1.359 1.729 0.000 -0.004 0.000 3/16800 90.0 1.079 1.196 1.493 0.000 -0.002 0.000 3/16800 100.0 0.955 1.072 1.316 0.000 -0.001 0.000 3/16800 110.0 0.859 0.975 1.178 0.000 -0.001 0.000 3/16800 120.0 0.781 0.897 1.067 0.000 -0.001 0.000 3/16800 130.0 0.717 0.832 0.976 0.000 -0.000 0.000 3/16800 140.0 0.663 0.776 0.900 0.000 -0.000 0.000 3/16800 150.0 0.617 0.729 0.836 0.000 0.000 0.000 3/16800 160.0 0.578 0.687 0.780 0.000 0.000 0.000 3/16800 170.0 0.543 0.651 0.732 0.000 0.000 0.000 3/16800 180.0 0.512 0.618 0.689 0.000 0.000 0.000 3/16800 190.0 0.485 0.588 0.651 0.000 0.000 0.000 3/16800 200.0 0.461 0.562 0.618 0.000 0.000 0.000 3/16800 210.0 0.439 0.538 0.587 0.000 0.000 0.000 3/16800 220.0 0.419 0.515 0.560 0.000 0.001 0.000 3/16800 230.0 0.401 0.495 0.535 0.000 0.001 0.000 3/16800 240.0 0.384 0.476 0.512 0.000 0.001 0.000 3/16800 250.0 0.369 0.458 0.491 0.000 0.001 0.000 3/16800 260.0 0.355 0.442 0.472 0.000 0.001 0.000 3/16800 270.0 0.342 0.427 0.454 0.000 0.001 0.000 3/16800 280.0 0.330 0.413 0.438 0.000 0.001 0.000 3/16800 290.0 0.319 0.400 0.423 0.000 0.001 0.000 3/16800 300.0 0.308 0.387 0.408 0.000 0.001 0.000 3/16800 310.0 0.298 0.376 0.395 0.000 0.001 0.000 3/16800 320.0 0.289 0.365 0.383 0.000 0.001 0.000 3/16800 330.0 0.280 0.354 0.371 0.000 0.001 0.000 3/16800 340.0 0.272 0.344 0.360 0.000 0.001 0.000 3/16800 350.0 0.264 0.335 0.350 0.000 0.001 0.000 3/16800 360.0 0.257 0.326 0.340 0.000 0.001 0.000 3/16800 370.0 0.250 0.318 0.331 0.000 0.000 0.000 3/16800 380.0 0.244 0.310 0.322 0.000 0.000 0.000 3/16800 390.0 0.238 0.302 0.314 0.000 0.000 0.000 3/16800 400.0 0.232 0.295 0.306 0.000 0.000 0.000 3/16800 410.0 0.226 0.288 0.298 0.000 0.000 0.000 3/16800 420.0 0.221 0.282 0.291 0.000 0.000 0.000 3/16800 430.0 0.216 0.275 0.284 0.000 0.000 0.000 3/16800 440.0 0.211 0.269 0.278 0.000 0.000 0.000 3/16800 450.0 0.206 0.264 0.272 0.000 0.000 0.000 3/16800 460.0 0.202 0.258 0.266 0.000 0.000 0.000 3/16800 470.0 0.197 0.253 0.260 0.000 0.000 0.000 3/16800 480.0 0.193 0.248 0.255 0.000 0.000 0.000 3/16800 490.0 0.189 0.243 0.249 0.000 0.000 0.000 3/16800 500.0 0.186 0.238 0.244 0.000 0.000 0.000 3/16800 510.0 0.182 0.234 0.240 0.000 0.000 0.000 3/16800 520.0 0.179 0.229 0.235 0.000 0.000 0.000 3/16800 530.0 0.175 0.225 0.230 0.000 0.000 0.000 3/16800 540.0 0.172 0.221 0.226 0.000 0.000 0.000 3/16800 550.0 0.169 0.217 0.222 0.000 0.000 0.000 3/16800 560.0 0.166 0.213 0.218 0.000 0.000 0.000 3/16800 570.0 0.163 0.210 0.214 0.000 0.000 0.000 3/16800 580.0 0.160 0.206 0.211 0.000 0.000 0.000 3/16800 590.0 0.158 0.203 0.207 0.000 0.000 0.000 3/16800 600.0 0.155 0.199 0.204 0.000 0.000 0.000 3/16800 610.0 0.152 0.196 0.200 0.000 0.000 0.000 3/16800 620.0 0.150 0.193 0.197 0.000 0.000 0.000 3/16800 630.0 0.148 0.190 0.194 0.000 0.000 0.000 3/16800 640.0 0.145 0.187 0.191 0.000 0.000 0.000 3/16800 650.0 0.143 0.184 0.188 0.000 0.000 0.000 3/16800 660.0 0.141 0.182 0.185 0.000 0.000 0.000 3/16800 670.0 0.139 0.179 0.182 0.000 0.000 0.000 3/16800 680.0 0.137 0.176 0.180 0.000 0.000 0.000 3/16800 690.0 0.135 0.174 0.177 0.000 0.000 0.000 3/16800 700.0 0.133 0.172 0.174 0.000 0.000 0.000 3/16800 710.0 0.131 0.169 0.172 0.000 0.000 0.000 3/16800 720.0 0.129 0.167 0.170 0.000 0.000 0.000 3/16800 730.0 0.127 0.165 0.167 0.000 0.000 0.000 3/16800 740.0 0.126 0.162 0.165 0.000 0.000 0.000 3/16800 750.0 0.124 0.160 0.163 0.000 0.000 0.000 3/16800 760.0 0.122 0.158 0.161 0.000 0.000 0.000 3/16800 770.0 0.121 0.156 0.159 0.000 0.000 0.000 3/16800 780.0 0.119 0.154 0.157 0.000 0.000 0.000 3/16800 790.0 0.118 0.152 0.155 0.000 0.000 0.000 3/16800 800.0 0.116 0.150 0.153 0.000 0.000 0.000 3/16800 810.0 0.115 0.149 0.151 0.000 0.000 0.000 3/16800 820.0 0.114 0.147 0.149 0.000 0.000 0.000 3/16800 830.0 0.112 0.145 0.147 0.000 0.000 0.000 3/16800 840.0 0.111 0.143 0.145 0.000 0.000 0.000 3/16800 850.0 0.110 0.142 0.144 0.000 0.000 0.000 3/16800 860.0 0.108 0.140 0.142 0.000 0.000 0.000 3/16800 870.0 0.107 0.138 0.140 0.000 0.000 0.000 3/16800 880.0 0.106 0.137 0.139 0.000 0.000 0.000 3/16800 890.0 0.105 0.135 0.137 0.000 0.000 0.000 3/16800 900.0 0.104 0.134 0.136 0.000 0.000 0.000 3/16800 910.0 0.102 0.132 0.134 0.000 0.000 0.000 3/16800 920.0 0.101 0.131 0.133 0.000 0.000 0.000 3/16800 930.0 0.100 0.130 0.131 0.000 0.000 0.000 3/16800 940.0 0.099 0.128 0.130 0.000 0.000 0.000 3/16800 950.0 0.098 0.127 0.129 0.000 0.000 0.000 3/16800 960.0 0.097 0.126 0.127 0.000 0.000 0.000 3/16800 970.0 0.096 0.124 0.126 0.000 0.000 0.000 3/16800 980.0 0.095 0.123 0.125 0.000 0.000 0.000 3/16800 990.0 0.094 0.122 0.123 0.000 0.000 0.000 3/16800 1000.0 0.093 0.121 0.122 0.000 0.000 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m745.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:36:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|