# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/fdae35e8-52ae-46bc-8f66-179364895f24/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbGaS2 / C2/c (15) / materials id 561407](https://mdr.nims.go.jp/datasets/1e026795-336b-4f5b-830d-c827e433466c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 17:11:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 5.232562820000002 -5.232626270000000 0.000000000000000 b 5.232562820000002 5.232626270000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): *1 Rb 0.84787549769745 0.72386232392457 0.39374240673518 85.468 2 Rb 0.72386232392457 0.84787549769745 0.89374240673518 85.468 3 Rb 0.15212450230255 0.27613767607543 0.60625759326482 85.468 *4 Rb 0.65059611073531 0.27592687576416 0.60519429299486 85.468 5 Rb 0.72407312423584 0.34940388926469 0.89480570700514 85.468 6 Rb 0.34940388926469 0.72407312423584 0.39480570700515 85.468 7 Rb 0.27592687576416 0.65059611073531 0.10519429299485 85.468 8 Rb 0.27613767607543 0.15212450230255 0.10625759326482 85.468 *9 Ga 0.79209402018736 0.41408350357080 0.16806423219618 69.723 10 Ga 0.20790597981264 0.58591649642920 0.83193576780382 69.723 11 Ga 0.41408350357080 0.79209402018736 0.66806423219618 69.723 *12 Ga 0.20797319020719 0.07990965667529 0.83220076118078 69.723 13 Ga 0.92009034332472 0.79202680979281 0.66779923881922 69.723 14 Ga 0.07990965667529 0.20797319020719 0.33220076118078 69.723 15 Ga 0.79202680979281 0.92009034332472 0.16779923881922 69.723 16 Ga 0.58591649642920 0.20790597981264 0.33193576780382 69.723 *17 S 0.93159415957989 0.06840584042011 0.75000000000000 32.065 *18 S 0.85565351957131 0.23057937769805 0.42374550091828 32.065 19 S 0.23057937769805 0.85565351957131 0.92374550091828 32.065 20 S 0.14434648042868 0.76942062230195 0.57625449908172 32.065 *21 S 0.22984381518053 0.35532436732143 0.92061468149923 32.065 *22 S 0.44373002274692 0.06839214986533 0.75035686626473 32.065 23 S 0.93160785013467 0.55626997725308 0.74964313373527 32.065 24 S 0.76942062230194 0.14434648042868 0.07625449908172 32.065 25 S 0.55626997725308 0.93160785013467 0.24964313373527 32.065 26 S 0.77015618481947 0.64467563267857 0.07938531850077 32.065 27 S 0.64467563267857 0.77015618481947 0.57938531850077 32.065 28 S 0.06840584042011 0.93159415957989 0.25000000000000 32.065 29 S 0.06839214986533 0.44373002274692 0.25035686626473 32.065 30 S 0.35532436732143 0.22984381518053 0.42061468149923 32.065 *31 S 0.55646271551638 0.44353728448362 0.25000000000000 32.065 32 S 0.44353728448362 0.55646271551638 0.75000000000000 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.465125640000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465252540000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): *1 Rb 0.78586891081101 0.93799341311356 0.39374240673518 85.468 > 1 2 Rb 0.78586891081101 0.06200658688644 0.89374240673518 85.468 > 2 3 Rb 0.21413108918899 0.06200658688644 0.60625759326482 85.468 > 3 *4 Rb 0.46326149324973 0.81266538251442 0.60519429299486 85.468 > 4 5 Rb 0.53673850675027 0.81266538251442 0.89480570700514 85.468 > 5 6 Rb 0.53673850675027 0.18733461748558 0.39480570700515 85.468 > 6 7 Rb 0.46326149324973 0.18733461748558 0.10519429299485 85.468 > 7 8 Rb 0.21413108918899 0.93799341311356 0.10625759326482 85.468 > 8 9 Rb 0.28586891081101 0.43799341311356 0.39374240673518 85.468 > 1 10 Rb 0.28586891081101 0.56200658688644 0.89374240673518 85.468 > 2 11 Rb 0.71413108918899 0.56200658688644 0.60625759326482 85.468 > 3 12 Rb 0.96326149324973 0.31266538251442 0.60519429299486 85.468 > 4 13 Rb 0.03673850675027 0.31266538251442 0.89480570700514 85.468 > 5 14 Rb 0.03673850675027 0.68733461748558 0.39480570700515 85.468 > 6 15 Rb 0.96326149324973 0.68733461748558 0.10519429299485 85.468 > 7 16 Rb 0.71413108918899 0.43799341311356 0.10625759326482 85.468 > 8 *17 Ga 0.60308876187908 0.81099474169172 0.16806423219618 69.723 > 9 18 Ga 0.39691123812092 0.18900525830828 0.83193576780382 69.723 > 10 19 Ga 0.60308876187908 0.18900525830828 0.66806423219618 69.723 > 11 *20 Ga 0.14394142344124 0.93596823323405 0.83220076118078 69.723 > 12 21 Ga 0.85605857655876 0.93596823323405 0.66779923881922 69.723 > 13 22 Ga 0.14394142344124 0.06403176676595 0.33220076118078 69.723 > 14 23 Ga 0.85605857655876 0.06403176676595 0.16779923881922 69.723 > 15 24 Ga 0.39691123812092 0.81099474169172 0.33193576780382 69.723 > 16 25 Ga 0.10308876187908 0.31099474169172 0.16806423219618 69.723 > 9 26 Ga 0.89691123812092 0.68900525830828 0.83193576780382 69.723 > 10 27 Ga 0.10308876187908 0.68900525830828 0.66806423219618 69.723 > 11 28 Ga 0.64394142344124 0.43596823323405 0.83220076118078 69.723 > 12 29 Ga 0.35605857655876 0.43596823323405 0.66779923881922 69.723 > 13 30 Ga 0.64394142344124 0.56403176676595 0.33220076118078 69.723 > 14 31 Ga 0.35605857655876 0.56403176676595 0.16779923881922 69.723 > 15 32 Ga 0.89691123812092 0.31099474169172 0.33193576780382 69.723 > 16 *33 S 0.50000000000000 0.56840584042011 0.75000000000000 32.065 > 17 *34 S 0.54311644863468 0.68746292906337 0.42374550091828 32.065 > 18 35 S 0.54311644863468 0.31253707093663 0.92374550091828 32.065 > 19 36 S 0.45688355136531 0.31253707093663 0.57625449908172 32.065 > 20 *37 S 0.29258409125098 0.06274027607045 0.92061468149923 32.065 > 21 *38 S 0.25606108630613 0.81233106355920 0.75035686626473 32.065 > 22 39 S 0.74393891369387 0.81233106355920 0.74964313373527 32.065 > 23 40 S 0.45688355136531 0.68746292906337 0.07625449908172 32.065 > 24 41 S 0.74393891369387 0.18766893644080 0.24964313373527 32.065 > 25 42 S 0.70741590874902 0.93725972392955 0.07938531850077 32.065 > 26 43 S 0.70741590874902 0.06274027607045 0.57938531850077 32.065 > 27 44 S 0.50000000000000 0.43159415957989 0.25000000000000 32.065 > 28 45 S 0.25606108630613 0.18766893644080 0.25035686626473 32.065 > 29 46 S 0.29258409125098 0.93725972392955 0.42061468149923 32.065 > 30 *47 S 0.50000000000000 0.94353728448362 0.25000000000000 32.065 > 31 48 S 0.50000000000000 0.05646271551638 0.75000000000000 32.065 > 32 49 S 0.00000000000000 0.06840584042011 0.75000000000000 32.065 > 17 50 S 0.04311644863469 0.18746292906337 0.42374550091828 32.065 > 18 51 S 0.04311644863469 0.81253707093663 0.92374550091828 32.065 > 19 52 S 0.95688355136532 0.81253707093663 0.57625449908172 32.065 > 20 53 S 0.79258409125098 0.56274027607045 0.92061468149923 32.065 > 21 54 S 0.75606108630613 0.31233106355920 0.75035686626473 32.065 > 22 55 S 0.24393891369387 0.31233106355920 0.74964313373527 32.065 > 23 56 S 0.95688355136532 0.18746292906337 0.07625449908172 32.065 > 24 57 S 0.24393891369387 0.68766893644080 0.24964313373527 32.065 > 25 58 S 0.20741590874902 0.43725972392955 0.07938531850077 32.065 > 26 59 S 0.20741590874902 0.56274027607045 0.57938531850077 32.065 > 27 60 S 0.00000000000000 0.93159415957989 0.25000000000000 32.065 > 28 61 S 0.75606108630613 0.68766893644080 0.25035686626473 32.065 > 29 62 S 0.79258409125098 0.43725972392955 0.42061468149923 32.065 > 30 63 S 0.00000000000000 0.44353728448362 0.25000000000000 32.065 > 31 64 S 0.00000000000000 0.55646271551638 0.75000000000000 32.065 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 20.930251280000007 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465252540000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): *1 Rb 0.39293445540550 0.93799341311356 0.39374240673518 85.468 > 1 2 Rb 0.89293445540550 0.93799341311356 0.39374240673518 85.468 > 1 3 Rb 0.39293445540550 0.06200658688644 0.89374240673518 85.468 > 2 4 Rb 0.89293445540550 0.06200658688644 0.89374240673518 85.468 > 2 5 Rb 0.10706554459450 0.06200658688644 0.60625759326482 85.468 > 3 6 Rb 0.60706554459450 0.06200658688644 0.60625759326482 85.468 > 3 *7 Rb 0.23163074662487 0.81266538251442 0.60519429299486 85.468 > 4 8 Rb 0.73163074662487 0.81266538251442 0.60519429299486 85.468 > 4 9 Rb 0.26836925337513 0.81266538251442 0.89480570700514 85.468 > 5 10 Rb 0.76836925337513 0.81266538251442 0.89480570700514 85.468 > 5 11 Rb 0.26836925337513 0.18733461748558 0.39480570700515 85.468 > 6 12 Rb 0.76836925337513 0.18733461748558 0.39480570700515 85.468 > 6 13 Rb 0.23163074662487 0.18733461748558 0.10519429299485 85.468 > 7 14 Rb 0.73163074662487 0.18733461748558 0.10519429299485 85.468 > 7 15 Rb 0.10706554459450 0.93799341311356 0.10625759326482 85.468 > 8 16 Rb 0.60706554459450 0.93799341311356 0.10625759326482 85.468 > 8 17 Rb 0.14293445540550 0.43799341311356 0.39374240673518 85.468 > 1 18 Rb 0.64293445540550 0.43799341311356 0.39374240673518 85.468 > 1 19 Rb 0.14293445540550 0.56200658688644 0.89374240673518 85.468 > 2 20 Rb 0.64293445540550 0.56200658688644 0.89374240673518 85.468 > 2 21 Rb 0.35706554459450 0.56200658688644 0.60625759326482 85.468 > 3 22 Rb 0.85706554459450 0.56200658688644 0.60625759326482 85.468 > 3 23 Rb 0.48163074662487 0.31266538251442 0.60519429299486 85.468 > 4 24 Rb 0.98163074662487 0.31266538251442 0.60519429299486 85.468 > 4 25 Rb 0.01836925337513 0.31266538251442 0.89480570700514 85.468 > 5 26 Rb 0.51836925337513 0.31266538251442 0.89480570700514 85.468 > 5 27 Rb 0.01836925337513 0.68733461748558 0.39480570700515 85.468 > 6 28 Rb 0.51836925337513 0.68733461748558 0.39480570700515 85.468 > 6 29 Rb 0.48163074662487 0.68733461748558 0.10519429299485 85.468 > 7 30 Rb 0.98163074662487 0.68733461748558 0.10519429299485 85.468 > 7 31 Rb 0.35706554459450 0.43799341311356 0.10625759326482 85.468 > 8 32 Rb 0.85706554459450 0.43799341311356 0.10625759326482 85.468 > 8 *33 Ga 0.30154438093954 0.81099474169172 0.16806423219618 69.723 > 9 34 Ga 0.80154438093954 0.81099474169172 0.16806423219618 69.723 > 9 35 Ga 0.19845561906046 0.18900525830828 0.83193576780382 69.723 > 10 36 Ga 0.69845561906046 0.18900525830828 0.83193576780382 69.723 > 10 37 Ga 0.30154438093954 0.18900525830828 0.66806423219618 69.723 > 11 38 Ga 0.80154438093954 0.18900525830828 0.66806423219618 69.723 > 11 *39 Ga 0.07197071172062 0.93596823323405 0.83220076118078 69.723 > 12 40 Ga 0.57197071172062 0.93596823323405 0.83220076118078 69.723 > 12 41 Ga 0.42802928827938 0.93596823323405 0.66779923881922 69.723 > 13 42 Ga 0.92802928827938 0.93596823323405 0.66779923881922 69.723 > 13 43 Ga 0.07197071172062 0.06403176676595 0.33220076118078 69.723 > 14 44 Ga 0.57197071172062 0.06403176676595 0.33220076118078 69.723 > 14 45 Ga 0.42802928827938 0.06403176676595 0.16779923881922 69.723 > 15 46 Ga 0.92802928827938 0.06403176676595 0.16779923881922 69.723 > 15 47 Ga 0.19845561906046 0.81099474169172 0.33193576780382 69.723 > 16 48 Ga 0.69845561906046 0.81099474169172 0.33193576780382 69.723 > 16 49 Ga 0.05154438093954 0.31099474169172 0.16806423219618 69.723 > 9 50 Ga 0.55154438093954 0.31099474169172 0.16806423219618 69.723 > 9 51 Ga 0.44845561906046 0.68900525830828 0.83193576780382 69.723 > 10 52 Ga 0.94845561906046 0.68900525830828 0.83193576780382 69.723 > 10 53 Ga 0.05154438093954 0.68900525830828 0.66806423219618 69.723 > 11 54 Ga 0.55154438093954 0.68900525830828 0.66806423219618 69.723 > 11 55 Ga 0.32197071172062 0.43596823323405 0.83220076118078 69.723 > 12 56 Ga 0.82197071172062 0.43596823323405 0.83220076118078 69.723 > 12 57 Ga 0.17802928827938 0.43596823323405 0.66779923881922 69.723 > 13 58 Ga 0.67802928827938 0.43596823323405 0.66779923881922 69.723 > 13 59 Ga 0.32197071172062 0.56403176676595 0.33220076118078 69.723 > 14 60 Ga 0.82197071172062 0.56403176676595 0.33220076118078 69.723 > 14 61 Ga 0.17802928827938 0.56403176676595 0.16779923881922 69.723 > 15 62 Ga 0.67802928827938 0.56403176676595 0.16779923881922 69.723 > 15 63 Ga 0.44845561906046 0.31099474169172 0.33193576780382 69.723 > 16 64 Ga 0.94845561906046 0.31099474169172 0.33193576780382 69.723 > 16 *65 S 0.25000000000000 0.56840584042011 0.75000000000000 32.065 > 17 66 S 0.75000000000000 0.56840584042011 0.75000000000000 32.065 > 17 *67 S 0.27155822431734 0.68746292906337 0.42374550091828 32.065 > 18 68 S 0.77155822431734 0.68746292906337 0.42374550091828 32.065 > 18 69 S 0.27155822431734 0.31253707093663 0.92374550091828 32.065 > 19 70 S 0.77155822431734 0.31253707093663 0.92374550091828 32.065 > 19 71 S 0.22844177568266 0.31253707093663 0.57625449908172 32.065 > 20 72 S 0.72844177568266 0.31253707093663 0.57625449908172 32.065 > 20 *73 S 0.14629204562549 0.06274027607045 0.92061468149923 32.065 > 21 74 S 0.64629204562549 0.06274027607045 0.92061468149923 32.065 > 21 *75 S 0.12803054315306 0.81233106355920 0.75035686626473 32.065 > 22 76 S 0.62803054315306 0.81233106355920 0.75035686626473 32.065 > 22 77 S 0.37196945684694 0.81233106355920 0.74964313373527 32.065 > 23 78 S 0.87196945684694 0.81233106355920 0.74964313373527 32.065 > 23 79 S 0.22844177568266 0.68746292906337 0.07625449908172 32.065 > 24 80 S 0.72844177568266 0.68746292906337 0.07625449908172 32.065 > 24 81 S 0.37196945684694 0.18766893644080 0.24964313373527 32.065 > 25 82 S 0.87196945684694 0.18766893644080 0.24964313373527 32.065 > 25 83 S 0.35370795437451 0.93725972392955 0.07938531850077 32.065 > 26 84 S 0.85370795437451 0.93725972392955 0.07938531850077 32.065 > 26 85 S 0.35370795437451 0.06274027607045 0.57938531850077 32.065 > 27 86 S 0.85370795437451 0.06274027607045 0.57938531850077 32.065 > 27 87 S 0.25000000000000 0.43159415957989 0.25000000000000 32.065 > 28 88 S 0.75000000000000 0.43159415957989 0.25000000000000 32.065 > 28 89 S 0.12803054315306 0.18766893644080 0.25035686626473 32.065 > 29 90 S 0.62803054315306 0.18766893644080 0.25035686626473 32.065 > 29 91 S 0.14629204562549 0.93725972392955 0.42061468149923 32.065 > 30 92 S 0.64629204562549 0.93725972392955 0.42061468149923 32.065 > 30 *93 S 0.25000000000000 0.94353728448362 0.25000000000000 32.065 > 31 94 S 0.75000000000000 0.94353728448362 0.25000000000000 32.065 > 31 95 S 0.25000000000000 0.05646271551638 0.75000000000000 32.065 > 32 96 S 0.75000000000000 0.05646271551638 0.75000000000000 32.065 > 32 97 S 0.00000000000000 0.06840584042011 0.75000000000000 32.065 > 17 98 S 0.50000000000000 0.06840584042011 0.75000000000000 32.065 > 17 99 S 0.02155822431734 0.18746292906337 0.42374550091828 32.065 > 18 100 S 0.52155822431734 0.18746292906337 0.42374550091828 32.065 > 18 101 S 0.02155822431734 0.81253707093663 0.92374550091828 32.065 > 19 102 S 0.52155822431734 0.81253707093663 0.92374550091828 32.065 > 19 103 S 0.47844177568266 0.81253707093663 0.57625449908172 32.065 > 20 104 S 0.97844177568266 0.81253707093663 0.57625449908172 32.065 > 20 105 S 0.39629204562549 0.56274027607045 0.92061468149923 32.065 > 21 106 S 0.89629204562549 0.56274027607045 0.92061468149923 32.065 > 21 107 S 0.37803054315306 0.31233106355920 0.75035686626473 32.065 > 22 108 S 0.87803054315306 0.31233106355920 0.75035686626473 32.065 > 22 109 S 0.12196945684694 0.31233106355920 0.74964313373527 32.065 > 23 110 S 0.62196945684694 0.31233106355920 0.74964313373527 32.065 > 23 111 S 0.47844177568266 0.18746292906337 0.07625449908172 32.065 > 24 112 S 0.97844177568266 0.18746292906337 0.07625449908172 32.065 > 24 113 S 0.12196945684694 0.68766893644080 0.24964313373527 32.065 > 25 114 S 0.62196945684694 0.68766893644080 0.24964313373527 32.065 > 25 115 S 0.10370795437451 0.43725972392955 0.07938531850077 32.065 > 26 116 S 0.60370795437451 0.43725972392955 0.07938531850077 32.065 > 26 117 S 0.10370795437451 0.56274027607045 0.57938531850077 32.065 > 27 118 S 0.60370795437451 0.56274027607045 0.57938531850077 32.065 > 27 119 S 0.00000000000000 0.93159415957989 0.25000000000000 32.065 > 28 120 S 0.50000000000000 0.93159415957989 0.25000000000000 32.065 > 28 121 S 0.37803054315306 0.68766893644080 0.25035686626473 32.065 > 29 122 S 0.87803054315306 0.68766893644080 0.25035686626473 32.065 > 29 123 S 0.39629204562549 0.43725972392955 0.42061468149923 32.065 > 30 124 S 0.89629204562549 0.43725972392955 0.42061468149923 32.065 > 30 125 S 0.00000000000000 0.44353728448362 0.25000000000000 32.065 > 31 126 S 0.50000000000000 0.44353728448362 0.25000000000000 32.065 > 31 127 S 0.00000000000000 0.55646271551638 0.75000000000000 32.065 > 32 128 S 0.50000000000000 0.55646271551638 0.75000000000000 32.065 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5396900 0.0000000 -0.0035374 0.0000000 4.5385697 0.0000000 -0.0035340 0.0000000 4.1128521-------------------------- Born effective charges -------------------------- 1 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 2 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 3 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 4 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 5 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 6 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 7 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 8 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 9 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 10 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 11 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 12 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 13 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 14 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 15 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 16 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 17 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 18 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 19 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 20 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 21 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 22 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 23 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 24 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 25 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 26 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 27 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 28 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 29 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 30 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 31 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858 32 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858----------------------------------------------------------------------------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: 384/384Permutation basis: 21984/21984Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4756Number of blocks in projector: 4756Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1032Use submatrix version of eigh solver.(1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 237 eigenvectors found. (2) Block: 532 / 532 (2) 271 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 519 eigenvectors found.(1) Complementary block size: 30(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1016Use submatrix version of eigh solver.(1) Block: 500 / 1016 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1016 / 1016 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 502 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1016Use submatrix version of eigh solver.(1) Block: 500 / 1016 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1016 / 1016 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 502 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4756, 4684), data: False|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (1016, 1002), data: False |-- (1016, 14), data: (1016, 28) @ (28, 14) |-- (516, 502), data: False |-- (516, 10), data: (516, 24) @ (24, 10) |-- (266, 254), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1016, 1002), data: False |-- (1016, 14), data: (1016, 28) @ (28, 14) |-- (516, 502), data: False |-- (516, 10), data: (516, 24) @ (24, 10) |-- (266, 254), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1032, 1015), data: False |-- (1032, 13), data: (1032, 30) @ (30, 13) |-- (532, 519), data: False |-- (532, 11), data: (532, 24) @ (24, 11) |-- (282, 271), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 960 - Time: 1.431Solver_block: 200 / 960 - Time: 1.410Solver_block: 300 / 960 - Time: 1.333Solver_block: 400 / 960 - Time: 1.342Solver_block: 500 / 960 - Time: 1.465Solver_block: 600 / 960 - Time: 1.391Solver_block: 700 / 960 - Time: 1.433Solver_block: 800 / 960 - Time: 1.319Solver_block: 900 / 960 - Time: 1.203Solver_block: 960 / 960 - Time: 0.864Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.630--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384Permutation basis: 21984/21984Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4756Number of blocks in projector: 4756Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1032Use submatrix version of eigh solver.(1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 237 eigenvectors found. (2) Block: 532 / 532 (2) 271 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 519 eigenvectors found.(1) Complementary block size: 30(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1016Use submatrix version of eigh solver.(1) Block: 500 / 1016 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1016 / 1016 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 502 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1016Use submatrix version of eigh solver.(1) Block: 500 / 1016 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1016 / 1016 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 502 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 564Use submatrix version of eigh solver.(1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 241 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 555 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4756, 4684), data: False|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 16), data: (564, 25) @ (25, 16) |-- (64, 57), data: True |-- (250, 241), data: True |-- (250, 241), data: True|-- (1016, 1002), data: False |-- (1016, 14), data: (1016, 28) @ (28, 14) |-- (516, 502), data: False |-- (516, 10), data: (516, 24) @ (24, 10) |-- (266, 254), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1016, 1002), data: False |-- (1016, 14), data: (1016, 28) @ (28, 14) |-- (516, 502), data: False |-- (516, 10), data: (516, 24) @ (24, 10) |-- (266, 254), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1032, 1015), data: False |-- (1032, 13), data: (1032, 30) @ (30, 13) |-- (532, 519), data: False |-- (532, 11), data: (532, 24) @ (24, 11) |-- (282, 271), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 17:12:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:12:40]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.232562820000002 -5.232626270000000 0.000000000000000 b 5.232562820000002 5.232626270000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): 1 Rb 0.84787549769745 0.72386232392457 0.39374240673518 85.468 2 Rb 0.72386232392457 0.84787549769745 0.89374240673518 85.468 3 Rb 0.15212450230255 0.27613767607543 0.60625759326482 85.468 4 Rb 0.65059611073531 0.27592687576416 0.60519429299486 85.468 5 Rb 0.72407312423584 0.34940388926469 0.89480570700514 85.468 6 Rb 0.34940388926469 0.72407312423584 0.39480570700515 85.468 7 Rb 0.27592687576416 0.65059611073531 0.10519429299485 85.468 8 Rb 0.27613767607543 0.15212450230255 0.10625759326482 85.468 9 Ga 0.79209402018736 0.41408350357080 0.16806423219618 69.723 10 Ga 0.20790597981264 0.58591649642920 0.83193576780382 69.723 11 Ga 0.41408350357080 0.79209402018736 0.66806423219618 69.723 12 Ga 0.20797319020719 0.07990965667529 0.83220076118078 69.723 13 Ga 0.92009034332472 0.79202680979281 0.66779923881922 69.723 14 Ga 0.07990965667529 0.20797319020719 0.33220076118078 69.723 15 Ga 0.79202680979281 0.92009034332472 0.16779923881922 69.723 16 Ga 0.58591649642920 0.20790597981264 0.33193576780382 69.723 17 S 0.93159415957989 0.06840584042011 0.75000000000000 32.065 18 S 0.85565351957131 0.23057937769805 0.42374550091828 32.065 19 S 0.23057937769805 0.85565351957131 0.92374550091828 32.065 20 S 0.14434648042868 0.76942062230195 0.57625449908172 32.065 21 S 0.22984381518053 0.35532436732143 0.92061468149923 32.065 22 S 0.44373002274692 0.06839214986533 0.75035686626473 32.065 23 S 0.93160785013467 0.55626997725308 0.74964313373527 32.065 24 S 0.76942062230194 0.14434648042868 0.07625449908172 32.065 25 S 0.55626997725308 0.93160785013467 0.24964313373527 32.065 26 S 0.77015618481947 0.64467563267857 0.07938531850077 32.065 27 S 0.64467563267857 0.77015618481947 0.57938531850077 32.065 28 S 0.06840584042011 0.93159415957989 0.25000000000000 32.065 29 S 0.06839214986533 0.44373002274692 0.25035686626473 32.065 30 S 0.35532436732143 0.22984381518053 0.42061468149923 32.065 31 S 0.55646271551638 0.44353728448362 0.25000000000000 32.065 32 S 0.44353728448362 0.55646271551638 0.75000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 20.930251280000007 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465252540000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): 1 Rb 0.39293445540550 0.93799341311356 0.39374240673518 85.468 > 1 2 Rb 0.89293445540550 0.93799341311356 0.39374240673518 85.468 > 1 3 Rb 0.39293445540550 0.06200658688644 0.89374240673518 85.468 > 3 4 Rb 0.89293445540550 0.06200658688644 0.89374240673518 85.468 > 3 5 Rb 0.10706554459450 0.06200658688644 0.60625759326482 85.468 > 5 6 Rb 0.60706554459450 0.06200658688644 0.60625759326482 85.468 > 5 7 Rb 0.23163074662487 0.81266538251442 0.60519429299486 85.468 > 7 8 Rb 0.73163074662487 0.81266538251442 0.60519429299486 85.468 > 7 9 Rb 0.26836925337513 0.81266538251442 0.89480570700514 85.468 > 9 10 Rb 0.76836925337513 0.81266538251442 0.89480570700514 85.468 > 9 11 Rb 0.26836925337513 0.18733461748558 0.39480570700515 85.468 > 11 12 Rb 0.76836925337513 0.18733461748558 0.39480570700515 85.468 > 11 13 Rb 0.23163074662487 0.18733461748558 0.10519429299485 85.468 > 13 14 Rb 0.73163074662487 0.18733461748558 0.10519429299485 85.468 > 13 15 Rb 0.10706554459450 0.93799341311356 0.10625759326482 85.468 > 15 16 Rb 0.60706554459450 0.93799341311356 0.10625759326482 85.468 > 15 17 Rb 0.14293445540550 0.43799341311356 0.39374240673518 85.468 > 1 18 Rb 0.64293445540550 0.43799341311356 0.39374240673518 85.468 > 1 19 Rb 0.14293445540550 0.56200658688644 0.89374240673518 85.468 > 3 20 Rb 0.64293445540550 0.56200658688644 0.89374240673518 85.468 > 3 21 Rb 0.35706554459450 0.56200658688644 0.60625759326482 85.468 > 5 22 Rb 0.85706554459450 0.56200658688644 0.60625759326482 85.468 > 5 23 Rb 0.48163074662487 0.31266538251442 0.60519429299486 85.468 > 7 24 Rb 0.98163074662487 0.31266538251442 0.60519429299486 85.468 > 7 25 Rb 0.01836925337513 0.31266538251442 0.89480570700514 85.468 > 9 26 Rb 0.51836925337513 0.31266538251442 0.89480570700514 85.468 > 9 27 Rb 0.01836925337513 0.68733461748558 0.39480570700515 85.468 > 11 28 Rb 0.51836925337513 0.68733461748558 0.39480570700515 85.468 > 11 29 Rb 0.48163074662487 0.68733461748558 0.10519429299485 85.468 > 13 30 Rb 0.98163074662487 0.68733461748558 0.10519429299485 85.468 > 13 31 Rb 0.35706554459450 0.43799341311356 0.10625759326482 85.468 > 15 32 Rb 0.85706554459450 0.43799341311356 0.10625759326482 85.468 > 15 33 Ga 0.30154438093954 0.81099474169172 0.16806423219618 69.723 > 33 34 Ga 0.80154438093954 0.81099474169172 0.16806423219618 69.723 > 33 35 Ga 0.19845561906046 0.18900525830828 0.83193576780382 69.723 > 35 36 Ga 0.69845561906046 0.18900525830828 0.83193576780382 69.723 > 35 37 Ga 0.30154438093954 0.18900525830828 0.66806423219618 69.723 > 37 38 Ga 0.80154438093954 0.18900525830828 0.66806423219618 69.723 > 37 39 Ga 0.07197071172062 0.93596823323405 0.83220076118078 69.723 > 39 40 Ga 0.57197071172062 0.93596823323405 0.83220076118078 69.723 > 39 41 Ga 0.42802928827938 0.93596823323405 0.66779923881922 69.723 > 41 42 Ga 0.92802928827938 0.93596823323405 0.66779923881922 69.723 > 41 43 Ga 0.07197071172062 0.06403176676595 0.33220076118078 69.723 > 43 44 Ga 0.57197071172062 0.06403176676595 0.33220076118078 69.723 > 43 45 Ga 0.42802928827938 0.06403176676595 0.16779923881922 69.723 > 45 46 Ga 0.92802928827938 0.06403176676595 0.16779923881922 69.723 > 45 47 Ga 0.19845561906046 0.81099474169172 0.33193576780382 69.723 > 47 48 Ga 0.69845561906046 0.81099474169172 0.33193576780382 69.723 > 47 49 Ga 0.05154438093954 0.31099474169172 0.16806423219618 69.723 > 33 50 Ga 0.55154438093954 0.31099474169172 0.16806423219618 69.723 > 33 51 Ga 0.44845561906046 0.68900525830828 0.83193576780382 69.723 > 35 52 Ga 0.94845561906046 0.68900525830828 0.83193576780382 69.723 > 35 53 Ga 0.05154438093954 0.68900525830828 0.66806423219618 69.723 > 37 54 Ga 0.55154438093954 0.68900525830828 0.66806423219618 69.723 > 37 55 Ga 0.32197071172062 0.43596823323405 0.83220076118078 69.723 > 39 56 Ga 0.82197071172062 0.43596823323405 0.83220076118078 69.723 > 39 57 Ga 0.17802928827938 0.43596823323405 0.66779923881922 69.723 > 41 58 Ga 0.67802928827938 0.43596823323405 0.66779923881922 69.723 > 41 59 Ga 0.32197071172062 0.56403176676595 0.33220076118078 69.723 > 43 60 Ga 0.82197071172062 0.56403176676595 0.33220076118078 69.723 > 43 61 Ga 0.17802928827938 0.56403176676595 0.16779923881922 69.723 > 45 62 Ga 0.67802928827938 0.56403176676595 0.16779923881922 69.723 > 45 63 Ga 0.44845561906046 0.31099474169172 0.33193576780382 69.723 > 47 64 Ga 0.94845561906046 0.31099474169172 0.33193576780382 69.723 > 47 65 S 0.25000000000000 0.56840584042011 0.75000000000000 32.065 > 65 66 S 0.75000000000000 0.56840584042011 0.75000000000000 32.065 > 65 67 S 0.27155822431734 0.68746292906337 0.42374550091828 32.065 > 67 68 S 0.77155822431734 0.68746292906337 0.42374550091828 32.065 > 67 69 S 0.27155822431734 0.31253707093663 0.92374550091828 32.065 > 69 70 S 0.77155822431734 0.31253707093663 0.92374550091828 32.065 > 69 71 S 0.22844177568266 0.31253707093663 0.57625449908172 32.065 > 71 72 S 0.72844177568266 0.31253707093663 0.57625449908172 32.065 > 71 73 S 0.14629204562549 0.06274027607045 0.92061468149923 32.065 > 73 74 S 0.64629204562549 0.06274027607045 0.92061468149923 32.065 > 73 75 S 0.12803054315306 0.81233106355920 0.75035686626473 32.065 > 75 76 S 0.62803054315306 0.81233106355920 0.75035686626473 32.065 > 75 77 S 0.37196945684694 0.81233106355920 0.74964313373527 32.065 > 77 78 S 0.87196945684694 0.81233106355920 0.74964313373527 32.065 > 77 79 S 0.22844177568266 0.68746292906337 0.07625449908172 32.065 > 79 80 S 0.72844177568266 0.68746292906337 0.07625449908172 32.065 > 79 81 S 0.37196945684694 0.18766893644080 0.24964313373527 32.065 > 81 82 S 0.87196945684694 0.18766893644080 0.24964313373527 32.065 > 81 83 S 0.35370795437451 0.93725972392955 0.07938531850077 32.065 > 83 84 S 0.85370795437451 0.93725972392955 0.07938531850077 32.065 > 83 85 S 0.35370795437451 0.06274027607045 0.57938531850077 32.065 > 85 86 S 0.85370795437451 0.06274027607045 0.57938531850077 32.065 > 85 87 S 0.25000000000000 0.43159415957989 0.25000000000000 32.065 > 87 88 S 0.75000000000000 0.43159415957989 0.25000000000000 32.065 > 87 89 S 0.12803054315306 0.18766893644080 0.25035686626473 32.065 > 89 90 S 0.62803054315306 0.18766893644080 0.25035686626473 32.065 > 89 91 S 0.14629204562549 0.93725972392955 0.42061468149923 32.065 > 91 92 S 0.64629204562549 0.93725972392955 0.42061468149923 32.065 > 91 93 S 0.25000000000000 0.94353728448362 0.25000000000000 32.065 > 93 94 S 0.75000000000000 0.94353728448362 0.25000000000000 32.065 > 93 95 S 0.25000000000000 0.05646271551638 0.75000000000000 32.065 > 95 96 S 0.75000000000000 0.05646271551638 0.75000000000000 32.065 > 95 97 S 0.00000000000000 0.06840584042011 0.75000000000000 32.065 > 65 98 S 0.50000000000000 0.06840584042011 0.75000000000000 32.065 > 65 99 S 0.02155822431734 0.18746292906337 0.42374550091828 32.065 > 67 100 S 0.52155822431734 0.18746292906337 0.42374550091828 32.065 > 67 101 S 0.02155822431734 0.81253707093663 0.92374550091828 32.065 > 69 102 S 0.52155822431734 0.81253707093663 0.92374550091828 32.065 > 69 103 S 0.47844177568266 0.81253707093663 0.57625449908172 32.065 > 71 104 S 0.97844177568266 0.81253707093663 0.57625449908172 32.065 > 71 105 S 0.39629204562549 0.56274027607045 0.92061468149923 32.065 > 73 106 S 0.89629204562549 0.56274027607045 0.92061468149923 32.065 > 73 107 S 0.37803054315306 0.31233106355920 0.75035686626473 32.065 > 75 108 S 0.87803054315306 0.31233106355920 0.75035686626473 32.065 > 75 109 S 0.12196945684694 0.31233106355920 0.74964313373527 32.065 > 77 110 S 0.62196945684694 0.31233106355920 0.74964313373527 32.065 > 77 111 S 0.47844177568266 0.18746292906337 0.07625449908172 32.065 > 79 112 S 0.97844177568266 0.18746292906337 0.07625449908172 32.065 > 79 113 S 0.12196945684694 0.68766893644080 0.24964313373527 32.065 > 81 114 S 0.62196945684694 0.68766893644080 0.24964313373527 32.065 > 81 115 S 0.10370795437451 0.43725972392955 0.07938531850077 32.065 > 83 116 S 0.60370795437451 0.43725972392955 0.07938531850077 32.065 > 83 117 S 0.10370795437451 0.56274027607045 0.57938531850077 32.065 > 85 118 S 0.60370795437451 0.56274027607045 0.57938531850077 32.065 > 85 119 S 0.00000000000000 0.93159415957989 0.25000000000000 32.065 > 87 120 S 0.50000000000000 0.93159415957989 0.25000000000000 32.065 > 87 121 S 0.37803054315306 0.68766893644080 0.25035686626473 32.065 > 89 122 S 0.87803054315306 0.68766893644080 0.25035686626473 32.065 > 89 123 S 0.39629204562549 0.43725972392955 0.42061468149923 32.065 > 91 124 S 0.89629204562549 0.43725972392955 0.42061468149923 32.065 > 91 125 S 0.00000000000000 0.44353728448362 0.25000000000000 32.065 > 93 126 S 0.50000000000000 0.44353728448362 0.25000000000000 32.065 > 93 127 S 0.00000000000000 0.55646271551638 0.75000000000000 32.065 > 95 128 S 0.50000000000000 0.55646271551638 0.75000000000000 32.065 > 95----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5396900 0.0000000 -0.0035374 0.0000000 4.5385697 0.0000000 -0.0035340 0.0000000 4.1128521-------------------------- Born effective charges -------------------------- 1 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 2 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 3 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 4 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 5 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 6 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 7 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 8 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 9 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 10 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 11 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 12 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 13 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 14 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 15 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 16 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 17 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 18 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 19 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 20 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 21 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 22 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 23 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 24 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 25 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 26 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 27 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 28 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 29 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 30 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 31 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858 32 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858----------------------------------------------------------------------------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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 67, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 73, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 75, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Computing fc3[ 93, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:13:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:13:29]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.232562820000002 -5.232626270000000 0.000000000000000 b 5.232562820000002 5.232626270000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): 1 Rb 0.84787549769745 0.72386232392457 0.39374240673518 85.468 2 Rb 0.72386232392457 0.84787549769745 0.89374240673518 85.468 3 Rb 0.15212450230255 0.27613767607543 0.60625759326482 85.468 4 Rb 0.65059611073531 0.27592687576416 0.60519429299486 85.468 5 Rb 0.72407312423584 0.34940388926469 0.89480570700514 85.468 6 Rb 0.34940388926469 0.72407312423584 0.39480570700515 85.468 7 Rb 0.27592687576416 0.65059611073531 0.10519429299485 85.468 8 Rb 0.27613767607543 0.15212450230255 0.10625759326482 85.468 9 Ga 0.79209402018736 0.41408350357080 0.16806423219618 69.723 10 Ga 0.20790597981264 0.58591649642920 0.83193576780382 69.723 11 Ga 0.41408350357080 0.79209402018736 0.66806423219618 69.723 12 Ga 0.20797319020719 0.07990965667529 0.83220076118078 69.723 13 Ga 0.92009034332472 0.79202680979281 0.66779923881922 69.723 14 Ga 0.07990965667529 0.20797319020719 0.33220076118078 69.723 15 Ga 0.79202680979281 0.92009034332472 0.16779923881922 69.723 16 Ga 0.58591649642920 0.20790597981264 0.33193576780382 69.723 17 S 0.93159415957989 0.06840584042011 0.75000000000000 32.065 18 S 0.85565351957131 0.23057937769805 0.42374550091828 32.065 19 S 0.23057937769805 0.85565351957131 0.92374550091828 32.065 20 S 0.14434648042868 0.76942062230195 0.57625449908172 32.065 21 S 0.22984381518053 0.35532436732143 0.92061468149923 32.065 22 S 0.44373002274692 0.06839214986533 0.75035686626473 32.065 23 S 0.93160785013467 0.55626997725308 0.74964313373527 32.065 24 S 0.76942062230194 0.14434648042868 0.07625449908172 32.065 25 S 0.55626997725308 0.93160785013467 0.24964313373527 32.065 26 S 0.77015618481947 0.64467563267857 0.07938531850077 32.065 27 S 0.64467563267857 0.77015618481947 0.57938531850077 32.065 28 S 0.06840584042011 0.93159415957989 0.25000000000000 32.065 29 S 0.06839214986533 0.44373002274692 0.25035686626473 32.065 30 S 0.35532436732143 0.22984381518053 0.42061468149923 32.065 31 S 0.55646271551638 0.44353728448362 0.25000000000000 32.065 32 S 0.44353728448362 0.55646271551638 0.75000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 20.930251280000007 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465252540000000 0.000000000000000 c -2.621468767018339 0.000000000000000 15.194594812623924Atomic positions (fractional): 1 Rb 0.39293445540550 0.93799341311356 0.39374240673518 85.468 > 1 2 Rb 0.89293445540550 0.93799341311356 0.39374240673518 85.468 > 1 3 Rb 0.39293445540550 0.06200658688644 0.89374240673518 85.468 > 3 4 Rb 0.89293445540550 0.06200658688644 0.89374240673518 85.468 > 3 5 Rb 0.10706554459450 0.06200658688644 0.60625759326482 85.468 > 5 6 Rb 0.60706554459450 0.06200658688644 0.60625759326482 85.468 > 5 7 Rb 0.23163074662487 0.81266538251442 0.60519429299486 85.468 > 7 8 Rb 0.73163074662487 0.81266538251442 0.60519429299486 85.468 > 7 9 Rb 0.26836925337513 0.81266538251442 0.89480570700514 85.468 > 9 10 Rb 0.76836925337513 0.81266538251442 0.89480570700514 85.468 > 9 11 Rb 0.26836925337513 0.18733461748558 0.39480570700515 85.468 > 11 12 Rb 0.76836925337513 0.18733461748558 0.39480570700515 85.468 > 11 13 Rb 0.23163074662487 0.18733461748558 0.10519429299485 85.468 > 13 14 Rb 0.73163074662487 0.18733461748558 0.10519429299485 85.468 > 13 15 Rb 0.10706554459450 0.93799341311356 0.10625759326482 85.468 > 15 16 Rb 0.60706554459450 0.93799341311356 0.10625759326482 85.468 > 15 17 Rb 0.14293445540550 0.43799341311356 0.39374240673518 85.468 > 1 18 Rb 0.64293445540550 0.43799341311356 0.39374240673518 85.468 > 1 19 Rb 0.14293445540550 0.56200658688644 0.89374240673518 85.468 > 3 20 Rb 0.64293445540550 0.56200658688644 0.89374240673518 85.468 > 3 21 Rb 0.35706554459450 0.56200658688644 0.60625759326482 85.468 > 5 22 Rb 0.85706554459450 0.56200658688644 0.60625759326482 85.468 > 5 23 Rb 0.48163074662487 0.31266538251442 0.60519429299486 85.468 > 7 24 Rb 0.98163074662487 0.31266538251442 0.60519429299486 85.468 > 7 25 Rb 0.01836925337513 0.31266538251442 0.89480570700514 85.468 > 9 26 Rb 0.51836925337513 0.31266538251442 0.89480570700514 85.468 > 9 27 Rb 0.01836925337513 0.68733461748558 0.39480570700515 85.468 > 11 28 Rb 0.51836925337513 0.68733461748558 0.39480570700515 85.468 > 11 29 Rb 0.48163074662487 0.68733461748558 0.10519429299485 85.468 > 13 30 Rb 0.98163074662487 0.68733461748558 0.10519429299485 85.468 > 13 31 Rb 0.35706554459450 0.43799341311356 0.10625759326482 85.468 > 15 32 Rb 0.85706554459450 0.43799341311356 0.10625759326482 85.468 > 15 33 Ga 0.30154438093954 0.81099474169172 0.16806423219618 69.723 > 33 34 Ga 0.80154438093954 0.81099474169172 0.16806423219618 69.723 > 33 35 Ga 0.19845561906046 0.18900525830828 0.83193576780382 69.723 > 35 36 Ga 0.69845561906046 0.18900525830828 0.83193576780382 69.723 > 35 37 Ga 0.30154438093954 0.18900525830828 0.66806423219618 69.723 > 37 38 Ga 0.80154438093954 0.18900525830828 0.66806423219618 69.723 > 37 39 Ga 0.07197071172062 0.93596823323405 0.83220076118078 69.723 > 39 40 Ga 0.57197071172062 0.93596823323405 0.83220076118078 69.723 > 39 41 Ga 0.42802928827938 0.93596823323405 0.66779923881922 69.723 > 41 42 Ga 0.92802928827938 0.93596823323405 0.66779923881922 69.723 > 41 43 Ga 0.07197071172062 0.06403176676595 0.33220076118078 69.723 > 43 44 Ga 0.57197071172062 0.06403176676595 0.33220076118078 69.723 > 43 45 Ga 0.42802928827938 0.06403176676595 0.16779923881922 69.723 > 45 46 Ga 0.92802928827938 0.06403176676595 0.16779923881922 69.723 > 45 47 Ga 0.19845561906046 0.81099474169172 0.33193576780382 69.723 > 47 48 Ga 0.69845561906046 0.81099474169172 0.33193576780382 69.723 > 47 49 Ga 0.05154438093954 0.31099474169172 0.16806423219618 69.723 > 33 50 Ga 0.55154438093954 0.31099474169172 0.16806423219618 69.723 > 33 51 Ga 0.44845561906046 0.68900525830828 0.83193576780382 69.723 > 35 52 Ga 0.94845561906046 0.68900525830828 0.83193576780382 69.723 > 35 53 Ga 0.05154438093954 0.68900525830828 0.66806423219618 69.723 > 37 54 Ga 0.55154438093954 0.68900525830828 0.66806423219618 69.723 > 37 55 Ga 0.32197071172062 0.43596823323405 0.83220076118078 69.723 > 39 56 Ga 0.82197071172062 0.43596823323405 0.83220076118078 69.723 > 39 57 Ga 0.17802928827938 0.43596823323405 0.66779923881922 69.723 > 41 58 Ga 0.67802928827938 0.43596823323405 0.66779923881922 69.723 > 41 59 Ga 0.32197071172062 0.56403176676595 0.33220076118078 69.723 > 43 60 Ga 0.82197071172062 0.56403176676595 0.33220076118078 69.723 > 43 61 Ga 0.17802928827938 0.56403176676595 0.16779923881922 69.723 > 45 62 Ga 0.67802928827938 0.56403176676595 0.16779923881922 69.723 > 45 63 Ga 0.44845561906046 0.31099474169172 0.33193576780382 69.723 > 47 64 Ga 0.94845561906046 0.31099474169172 0.33193576780382 69.723 > 47 65 S 0.25000000000000 0.56840584042011 0.75000000000000 32.065 > 65 66 S 0.75000000000000 0.56840584042011 0.75000000000000 32.065 > 65 67 S 0.27155822431734 0.68746292906337 0.42374550091828 32.065 > 67 68 S 0.77155822431734 0.68746292906337 0.42374550091828 32.065 > 67 69 S 0.27155822431734 0.31253707093663 0.92374550091828 32.065 > 69 70 S 0.77155822431734 0.31253707093663 0.92374550091828 32.065 > 69 71 S 0.22844177568266 0.31253707093663 0.57625449908172 32.065 > 71 72 S 0.72844177568266 0.31253707093663 0.57625449908172 32.065 > 71 73 S 0.14629204562549 0.06274027607045 0.92061468149923 32.065 > 73 74 S 0.64629204562549 0.06274027607045 0.92061468149923 32.065 > 73 75 S 0.12803054315306 0.81233106355920 0.75035686626473 32.065 > 75 76 S 0.62803054315306 0.81233106355920 0.75035686626473 32.065 > 75 77 S 0.37196945684694 0.81233106355920 0.74964313373527 32.065 > 77 78 S 0.87196945684694 0.81233106355920 0.74964313373527 32.065 > 77 79 S 0.22844177568266 0.68746292906337 0.07625449908172 32.065 > 79 80 S 0.72844177568266 0.68746292906337 0.07625449908172 32.065 > 79 81 S 0.37196945684694 0.18766893644080 0.24964313373527 32.065 > 81 82 S 0.87196945684694 0.18766893644080 0.24964313373527 32.065 > 81 83 S 0.35370795437451 0.93725972392955 0.07938531850077 32.065 > 83 84 S 0.85370795437451 0.93725972392955 0.07938531850077 32.065 > 83 85 S 0.35370795437451 0.06274027607045 0.57938531850077 32.065 > 85 86 S 0.85370795437451 0.06274027607045 0.57938531850077 32.065 > 85 87 S 0.25000000000000 0.43159415957989 0.25000000000000 32.065 > 87 88 S 0.75000000000000 0.43159415957989 0.25000000000000 32.065 > 87 89 S 0.12803054315306 0.18766893644080 0.25035686626473 32.065 > 89 90 S 0.62803054315306 0.18766893644080 0.25035686626473 32.065 > 89 91 S 0.14629204562549 0.93725972392955 0.42061468149923 32.065 > 91 92 S 0.64629204562549 0.93725972392955 0.42061468149923 32.065 > 91 93 S 0.25000000000000 0.94353728448362 0.25000000000000 32.065 > 93 94 S 0.75000000000000 0.94353728448362 0.25000000000000 32.065 > 93 95 S 0.25000000000000 0.05646271551638 0.75000000000000 32.065 > 95 96 S 0.75000000000000 0.05646271551638 0.75000000000000 32.065 > 95 97 S 0.00000000000000 0.06840584042011 0.75000000000000 32.065 > 65 98 S 0.50000000000000 0.06840584042011 0.75000000000000 32.065 > 65 99 S 0.02155822431734 0.18746292906337 0.42374550091828 32.065 > 67 100 S 0.52155822431734 0.18746292906337 0.42374550091828 32.065 > 67 101 S 0.02155822431734 0.81253707093663 0.92374550091828 32.065 > 69 102 S 0.52155822431734 0.81253707093663 0.92374550091828 32.065 > 69 103 S 0.47844177568266 0.81253707093663 0.57625449908172 32.065 > 71 104 S 0.97844177568266 0.81253707093663 0.57625449908172 32.065 > 71 105 S 0.39629204562549 0.56274027607045 0.92061468149923 32.065 > 73 106 S 0.89629204562549 0.56274027607045 0.92061468149923 32.065 > 73 107 S 0.37803054315306 0.31233106355920 0.75035686626473 32.065 > 75 108 S 0.87803054315306 0.31233106355920 0.75035686626473 32.065 > 75 109 S 0.12196945684694 0.31233106355920 0.74964313373527 32.065 > 77 110 S 0.62196945684694 0.31233106355920 0.74964313373527 32.065 > 77 111 S 0.47844177568266 0.18746292906337 0.07625449908172 32.065 > 79 112 S 0.97844177568266 0.18746292906337 0.07625449908172 32.065 > 79 113 S 0.12196945684694 0.68766893644080 0.24964313373527 32.065 > 81 114 S 0.62196945684694 0.68766893644080 0.24964313373527 32.065 > 81 115 S 0.10370795437451 0.43725972392955 0.07938531850077 32.065 > 83 116 S 0.60370795437451 0.43725972392955 0.07938531850077 32.065 > 83 117 S 0.10370795437451 0.56274027607045 0.57938531850077 32.065 > 85 118 S 0.60370795437451 0.56274027607045 0.57938531850077 32.065 > 85 119 S 0.00000000000000 0.93159415957989 0.25000000000000 32.065 > 87 120 S 0.50000000000000 0.93159415957989 0.25000000000000 32.065 > 87 121 S 0.37803054315306 0.68766893644080 0.25035686626473 32.065 > 89 122 S 0.87803054315306 0.68766893644080 0.25035686626473 32.065 > 89 123 S 0.39629204562549 0.43725972392955 0.42061468149923 32.065 > 91 124 S 0.89629204562549 0.43725972392955 0.42061468149923 32.065 > 91 125 S 0.00000000000000 0.44353728448362 0.25000000000000 32.065 > 93 126 S 0.50000000000000 0.44353728448362 0.25000000000000 32.065 > 93 127 S 0.00000000000000 0.55646271551638 0.75000000000000 32.065 > 95 128 S 0.50000000000000 0.55646271551638 0.75000000000000 32.065 > 95----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5396900 0.0000000 -0.0035374 0.0000000 4.5385697 0.0000000 -0.0035340 0.0000000 4.1128521-------------------------- Born effective charges -------------------------- 1 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 2 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 3 Rb 1.1665476 0.2066828 -0.0001102 0.2069749 1.1654824 0.0007367 0.0008901 -0.0016385 1.4736225 4 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 5 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 6 Rb 1.2864823 0.0731383 -0.0005059 0.0726572 1.2859100 0.0005813 -0.0018981 0.0008832 1.4975293 7 Rb 1.2864823 -0.0731383 -0.0005059 -0.0726572 1.2859100 -0.0005813 -0.0018981 -0.0008832 1.4975293 8 Rb 1.1665476 -0.2066828 -0.0001102 -0.2069749 1.1654824 -0.0007367 0.0008901 0.0016385 1.4736225 9 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 10 Ga 2.5599103 0.2950473 -0.3078468 0.2953267 2.5587095 -0.3074704 0.0743468 0.0748122 1.8438756 11 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 12 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 13 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 14 Ga 2.5695326 -0.3028125 0.3056266 -0.3027733 2.5714703 -0.3062179 -0.0754117 0.0755290 1.8434816 15 Ga 2.5695326 0.3028125 0.3056266 0.3027733 2.5714703 0.3062179 -0.0754117 -0.0755290 1.8434816 16 Ga 2.5599103 -0.2950473 -0.3078468 -0.2953267 2.5587095 0.3074704 0.0743468 -0.0748122 1.8438756 17 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 18 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 19 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 20 S -1.8460163 0.7020997 0.0072893 0.7026837 -1.8467064 -0.0052231 0.0093090 -0.0070328 -1.7877657 21 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 22 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 23 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 24 S -1.8460163 -0.7020997 0.0072893 -0.7026837 -1.8467064 0.0052231 0.0093090 0.0070328 -1.7877657 25 S -1.8101140 -0.0008285 -0.0005639 -0.0012438 -1.8016614 -0.6452107 -0.0008537 -0.3161061 -1.5502872 26 S -2.1250497 -0.9161430 -0.0044577 -0.9156541 -2.1238189 -0.0060618 -0.0051531 -0.0078417 -1.7710912 27 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 28 S -1.8013342 -0.0000000 -0.6444734 -0.0000000 -1.8112081 0.0000000 -0.3195772 -0.0000000 -1.5513439 29 S -1.8101140 0.0008285 -0.0005639 0.0012438 -1.8016614 0.6452107 -0.0008537 0.3161061 -1.5502872 30 S -2.1250497 0.9161430 -0.0044577 0.9156541 -2.1238189 0.0060618 -0.0051531 0.0078417 -1.7710912 31 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858 32 S -1.8012512 -0.0000000 0.6456106 -0.0000000 -1.8075630 0.0000000 0.3171186 -0.0000000 -1.5473858----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 7 3 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 311, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/44) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.038 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.561 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/44) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.328 ( 17.801 -7.601 4.110) 19.787 0.394 ( 12.773 -14.153 3.528) 19.388 0.781 ( 25.589 -24.996 3.749) 35.968 1.086 ( 4.135 -2.621 -2.311) 5.414 1.190 ( 9.138 -8.573 -1.251) 12.592 1.314 ( -0.422 0.156 -0.031) 0.450 1.318 ( 0.102 0.318 -0.036) 0.336 1.322 ( -0.017 -0.006 -0.016) 0.024 1.336 ( 0.977 -0.884 0.042) 1.319 1.437 ( 2.554 -1.416 0.884) 3.051 1.541 ( -1.279 0.349 -2.455) 2.790 1.587 ( 1.412 -2.014 -0.660) 2.547 1.607 ( 0.497 -0.725 0.887) 1.249 1.749 ( -0.826 0.946 -0.430) 1.327 1.806 ( -8.819 -5.439 -0.228) 10.364 1.826 ( 5.604 5.021 0.543) 7.544 1.865 ( 5.917 -5.673 -0.520) 8.214 2.055 ( -1.277 2.207 -1.209) 2.822 2.096 ( 0.660 -0.312 -0.935) 1.186 2.127 ( 2.050 -0.041 0.604) 2.138 2.148 ( -0.401 -0.663 -0.626) 0.996 2.212 ( -0.653 -3.125 -1.929) 3.730 2.237 ( 2.285 -0.185 -0.576) 2.364 2.264 ( 3.888 -3.236 -1.929) 5.414 2.343 ( 0.250 -0.004 -0.077) 0.262 2.359 ( -0.141 1.288 -0.138) 1.303 2.410 ( 2.819 -3.214 1.449) 4.514 2.543 ( -4.138 2.748 -0.438) 4.987 2.566 ( -6.454 2.237 0.271) 6.836 2.579 ( 8.739 -8.828 -1.060) 12.467 2.729 ( -3.119 2.709 1.423) 4.369 2.793 ( 0.662 -2.550 3.666) 4.514 2.844 ( -0.230 0.390 0.327) 0.559 2.863 ( -1.813 2.454 -0.523) 3.096 2.882 ( -2.605 1.883 0.455) 3.246 2.928 ( -0.140 -1.550 1.444) 2.123 2.962 ( 0.473 -0.248 -1.076) 1.201 2.971 ( 0.082 0.902 0.680) 1.132 2.991 ( 7.795 -4.573 0.237) 9.041 3.015 ( 8.597 -6.173 -0.150) 10.585 3.433 ( 4.644 -3.860 0.178) 6.042 3.452 ( 3.627 -4.923 -0.203) 6.118 3.603 ( -1.710 1.192 -0.429) 2.128 3.710 ( -2.898 3.001 0.368) 4.189 3.747 ( -2.498 3.013 -0.393) 3.934 3.797 ( 0.088 0.428 -0.087) 0.445 3.805 ( 1.264 -0.734 0.396) 1.514 3.840 ( -0.498 0.525 0.172) 0.744 3.845 ( -1.185 1.100 -0.090) 1.619 3.861 ( -1.213 0.327 0.340) 1.301 3.948 ( 4.474 -4.921 -0.193) 6.653 4.044 ( 1.943 -1.500 -1.136) 2.705 4.176 ( 3.065 -1.686 -0.021) 3.498 4.177 ( 2.883 -1.846 0.055) 3.423 4.377 ( 0.083 0.971 0.010) 0.975 4.432 ( 0.139 -0.004 0.725) 0.739 5.409 ( -3.597 3.476 -0.241) 5.007 5.423 ( -2.915 3.176 -0.031) 4.311 5.483 ( -1.709 1.544 -0.127) 2.307 5.495 ( -1.728 0.876 -0.165) 1.945 5.529 ( 0.965 -1.557 -0.157) 1.838 5.610 ( 1.133 -1.406 -0.468) 1.865 5.983 ( -2.220 1.475 1.930) 3.291 6.145 ( -3.386 2.847 -0.436) 4.446 8.867 ( -5.185 5.445 -0.071) 7.520 8.883 ( -4.596 5.053 0.091) 6.831 8.937 ( -0.480 0.603 -0.058) 0.773 8.957 ( -0.189 0.494 -0.039) 0.530 8.993 ( 1.299 -3.855 0.030) 4.068 9.017 ( -0.648 -4.277 -0.053) 4.326 9.076 ( 7.607 -1.171 0.032) 7.697 9.305 ( 3.768 -1.789 -1.306) 4.370 9.316 ( -4.200 5.032 -0.481) 6.572 9.472 ( -1.099 2.069 -0.026) 2.343 9.480 ( -2.979 -0.288 -0.005) 2.993 9.500 ( -0.118 0.928 0.066) 0.938 9.544 ( -0.909 0.715 -0.237) 1.180 9.610 ( 5.961 -6.091 2.218) 8.806 9.683 ( 6.402 -7.419 -0.377) 9.806 9.875 ( 1.265 2.236 -0.967) 2.745 9.880 ( -4.417 -1.668 -0.406) 4.739 9.889 ( -0.374 4.199 0.069) 4.216 9.978 ( 1.194 -0.164 0.191) 1.221 10.060 ( 0.340 -0.807 0.063) 0.878 10.063 ( 0.718 -0.868 -0.061) 1.128 10.158 ( 1.038 -1.023 -4.348) 4.586 10.171 ( 4.923 -4.895 -0.080) 6.943 10.175 ( 3.998 -4.360 -0.945) 5.990 10.425 ( -2.935 3.288 -1.496) 4.655 10.484 ( -5.935 5.204 0.561) 7.913 10.670 ( 1.077 -0.218 -0.037) 1.100 10.675 ( -0.192 -1.787 0.093) 1.800 10.779 ( 1.412 -1.463 1.751) 2.683 10.870 ( 3.876 -3.615 -4.963) 7.261 11.110 ( -4.723 4.934 5.121) 8.537 11.411 ( 0.446 0.430 0.586) 0.853======================= Grid point 2 (3/44) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( 16.988 -11.000 1.790) 20.317 0.737 ( 10.891 -11.227 2.960) 15.919 1.175 ( 4.190 -1.782 -3.413) 5.690 1.242 ( 4.478 -1.055 0.195) 4.604 1.300 ( -0.730 0.296 0.949) 1.233 1.314 ( 0.442 0.283 0.082) 0.531 1.341 ( 1.170 -2.849 0.618) 3.141 1.377 ( 4.307 -5.031 -0.699) 6.660 1.442 ( 8.250 -6.675 -4.565) 11.552 1.498 ( 1.901 -0.257 -0.026) 1.919 1.525 ( 1.408 -1.956 1.634) 2.912 1.596 ( -1.887 -1.321 2.167) 3.162 1.651 ( 0.970 -0.617 -0.304) 1.190 1.744 ( 2.234 -2.213 -1.844) 3.645 1.794 ( 0.792 -3.549 3.335) 4.934 1.874 ( 1.747 -2.770 1.801) 3.738 1.979 ( -1.526 3.876 -0.362) 4.181 2.047 ( 6.306 -6.403 -0.811) 9.023 2.117 ( 1.390 -1.211 -0.516) 1.914 2.147 ( -0.211 -0.206 -0.140) 0.326 2.159 ( 1.726 -1.242 1.109) 2.398 2.226 ( -2.177 -3.245 -1.168) 4.078 2.275 ( 2.150 0.157 -0.805) 2.302 2.320 ( -1.633 -1.415 -1.378) 2.563 2.331 ( 1.956 2.185 -1.454) 3.273 2.431 ( 3.435 -0.926 -2.322) 4.248 2.452 ( 1.490 -2.263 -0.558) 2.767 2.470 ( -2.854 1.142 -1.060) 3.252 2.476 ( -3.044 -1.268 3.404) 4.740 2.623 ( -3.996 4.758 2.388) 6.657 2.700 ( -3.569 3.858 -2.070) 5.649 2.763 ( -4.084 3.857 -0.398) 5.632 2.771 ( -4.396 4.771 0.049) 6.488 2.870 ( 0.363 -1.105 1.750) 2.101 2.936 ( 0.782 -2.193 -0.594) 2.402 2.945 ( 2.174 -1.763 1.057) 2.993 2.997 ( 8.187 -8.103 0.664) 11.538 3.084 ( 9.386 -11.191 -0.476) 14.613 3.200 ( 7.616 -7.403 0.067) 10.621 3.232 ( 8.069 -6.743 -0.148) 10.517 3.525 ( 0.322 0.734 0.059) 0.804 3.570 ( 4.097 -4.261 -0.322) 5.920 3.588 ( 1.502 -2.717 -0.338) 3.123 3.616 ( -2.970 3.677 0.610) 4.766 3.655 ( -2.766 4.037 -0.865) 4.969 3.750 ( -2.683 2.580 -0.025) 3.722 3.797 ( -0.589 3.140 -0.246) 3.205 3.801 ( -1.982 1.794 0.222) 2.682 3.849 ( 0.736 -1.639 0.246) 1.814 3.882 ( 0.732 -1.845 1.060) 2.251 4.045 ( 0.392 -0.182 -1.334) 1.402 4.082 ( 1.677 -0.162 1.825) 2.484 4.250 ( 3.509 -2.602 -0.225) 4.374 4.259 ( 3.854 -2.658 -0.044) 4.682 4.411 ( 4.060 -3.575 -0.004) 5.409 4.475 ( 3.771 -3.205 0.164) 4.952 5.273 ( -5.861 6.339 0.024) 8.634 5.298 ( -5.585 5.975 -0.107) 8.180 5.426 ( -2.627 2.010 -0.202) 3.314 5.452 ( -2.191 1.093 0.004) 2.449 5.581 ( 2.144 -2.795 -0.542) 3.564 5.649 ( 1.143 -1.692 0.036) 2.042 5.926 ( -2.910 1.964 1.578) 3.849 6.036 ( -4.669 3.944 -0.883) 6.175 8.710 ( -5.330 5.464 -0.191) 7.635 8.743 ( -4.581 5.010 0.161) 6.791 8.923 ( -0.134 0.702 0.008) 0.714 8.946 ( -0.074 0.801 -0.033) 0.805 9.057 ( -4.220 -5.262 0.460) 6.761 9.080 ( -0.660 -6.877 -0.032) 6.908 9.143 ( 6.759 3.980 0.280) 7.849 9.191 ( -1.529 6.491 -0.853) 6.723 9.414 ( -2.397 2.234 -0.201) 3.283 9.428 ( -3.158 1.101 0.181) 3.350 9.473 ( 5.491 -3.680 -0.858) 6.666 9.494 ( 3.689 -2.505 1.548) 4.720 9.515 ( -0.573 0.537 -0.354) 0.861 9.780 ( 3.857 -4.395 2.233) 6.260 9.823 ( 0.537 -0.733 0.672) 1.130 9.827 ( -0.218 -1.876 -0.453) 1.942 9.866 ( 3.940 -1.187 -0.018) 4.115 9.958 ( 4.066 -4.060 -2.011) 6.088 10.004 ( 2.733 -0.078 -0.117) 2.736 10.075 ( 0.085 -0.762 -0.000) 0.767 10.085 ( -0.035 -1.565 -0.054) 1.567 10.158 ( 0.332 -0.430 -3.822) 3.861 10.285 ( 2.140 -1.897 -0.131) 2.862 10.293 ( 3.515 -3.119 -0.122) 4.701 10.310 ( -3.450 3.806 -0.447) 5.156 10.357 ( -4.262 2.818 0.389) 5.124 10.693 ( 0.833 -0.924 -0.018) 1.244 10.700 ( 0.192 -1.518 0.149) 1.537 10.771 ( -0.964 1.318 3.097) 3.501 10.963 ( -1.260 1.601 0.484) 2.094 11.016 ( 1.720 -1.857 -1.858) 3.140 11.389 ( -1.007 2.226 0.238) 2.455======================= Grid point 3 (4/44) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 5.831 -6.730 2.396) 9.222 1.080 ( 12.268 -8.020 -1.695) 14.755 1.204 ( 0.622 -1.095 -1.614) 2.047 1.246 ( 1.928 1.035 -1.048) 2.426 1.285 ( -1.272 -0.609 0.526) 1.505 1.322 ( 0.668 -0.106 -0.211) 0.709 1.358 ( 0.486 0.766 0.789) 1.202 1.398 ( -0.165 0.734 -3.042) 3.133 1.436 ( -8.619 6.170 3.857) 11.279 1.514 ( -0.772 1.129 -1.161) 1.794 1.587 ( 1.485 -2.026 0.550) 2.571 1.630 ( -1.275 1.385 -0.126) 1.887 1.676 ( 5.944 -6.076 0.835) 8.541 1.812 ( -1.788 2.805 -1.246) 3.552 1.871 ( 3.331 -2.659 -0.746) 4.327 1.936 ( -0.123 -1.015 2.054) 2.294 2.041 ( 6.042 -7.695 2.478) 10.092 2.131 ( -0.415 -0.031 0.061) 0.420 2.155 ( 1.216 -1.051 0.970) 1.877 2.181 ( 1.411 -1.538 -0.957) 2.296 2.221 ( 2.087 -3.545 0.918) 4.215 2.259 ( 1.614 -4.753 -0.615) 5.057 2.284 ( 0.049 0.096 -0.748) 0.756 2.342 ( 2.094 -0.919 -0.977) 2.486 2.346 ( -1.607 4.712 -0.546) 5.009 2.370 ( 4.974 -1.599 0.452) 5.245 2.415 ( -2.401 1.664 -0.299) 2.936 2.428 ( -5.828 4.400 0.379) 7.313 2.470 ( -3.551 -0.101 -0.339) 3.569 2.534 ( -5.104 5.682 -2.092) 7.919 2.646 ( 2.129 1.059 -0.562) 2.443 2.662 ( -2.796 2.253 0.186) 3.596 2.699 ( 2.290 -3.955 -0.867) 4.652 2.826 ( -4.092 3.565 2.040) 5.798 2.932 ( -0.309 0.112 -0.273) 0.427 2.959 ( 0.209 0.005 0.438) 0.486 3.282 ( 7.829 -8.483 0.327) 11.548 3.355 ( 3.461 -5.660 -0.677) 6.669 3.376 ( 2.623 -2.840 0.747) 3.938 3.407 ( 7.179 -7.861 0.211) 10.648 3.486 ( 0.376 -0.033 -1.060) 1.126 3.536 ( -1.414 2.486 -0.227) 2.869 3.583 ( -0.738 1.907 -0.257) 2.061 3.643 ( -2.003 4.197 -0.230) 4.656 3.656 ( 0.788 -1.742 0.248) 1.928 3.668 ( 0.039 0.011 0.164) 0.169 3.747 ( -1.339 1.235 0.437) 1.873 3.754 ( -1.011 1.511 -0.362) 1.853 3.882 ( 1.004 -1.362 -0.604) 1.796 3.904 ( -0.330 -0.024 1.103) 1.152 4.007 ( -1.322 1.709 1.585) 2.680 4.058 ( -1.267 2.191 -1.089) 2.755 4.325 ( 1.936 -1.623 0.061) 2.527 4.331 ( 1.876 -1.341 -0.133) 2.310 4.557 ( 4.717 -4.881 0.251) 6.792 4.601 ( 4.419 -3.987 -0.166) 5.954 5.110 ( -4.392 4.819 0.096) 6.520 5.140 ( -4.471 4.593 -0.085) 6.410 5.373 ( -1.368 1.027 -0.107) 1.714 5.416 ( -1.035 0.559 0.040) 1.177 5.647 ( 1.797 -2.014 -0.628) 2.771 5.679 ( 0.421 -0.763 0.401) 0.959 5.875 ( -1.398 0.990 1.091) 2.032 5.931 ( -2.787 2.408 -0.858) 3.782 8.601 ( -2.146 2.193 -0.104) 3.070 8.647 ( -1.874 1.998 0.084) 2.741 8.916 ( 0.002 0.293 0.016) 0.293 8.936 ( -0.026 0.374 -0.016) 0.375 9.050 ( -2.069 -1.121 0.908) 2.522 9.087 ( -3.281 0.030 -0.907) 3.404 9.168 ( 1.920 -1.100 -0.031) 2.213 9.179 ( 3.128 1.573 0.048) 3.502 9.364 ( -1.090 1.002 -0.075) 1.482 9.381 ( -1.304 0.693 0.066) 1.478 9.477 ( -0.112 0.111 0.066) 0.171 9.489 ( -0.460 0.465 -0.242) 0.697 9.700 ( 6.547 -5.720 1.029) 8.754 9.797 ( -0.126 1.509 0.262) 1.537 9.825 ( -0.300 0.462 -1.022) 1.161 9.849 ( -1.119 -0.243 0.572) 1.280 9.975 ( 2.360 -2.695 3.173) 4.786 10.020 ( 4.061 -1.915 -3.858) 5.920 10.080 ( -0.761 -1.502 -0.448) 1.743 10.091 ( 7.150 2.569 -0.682) 7.628 10.102 ( -3.844 -4.881 -0.205) 6.216 10.158 ( -4.969 4.909 -0.142) 6.986 10.179 ( 1.758 -1.711 0.483) 2.500 10.260 ( -3.094 2.838 -0.136) 4.200 10.357 ( 1.185 -1.172 -0.049) 1.667 10.369 ( 1.262 -1.401 0.021) 1.886 10.712 ( 0.021 -0.827 0.023) 0.827 10.716 ( 0.353 -0.085 0.247) 0.439 10.759 ( -0.083 0.087 1.946) 1.950 10.883 ( -1.970 2.232 -1.072) 3.164 11.100 ( 2.109 -2.307 -0.357) 3.146 11.341 ( -1.027 1.724 0.020) 2.007======================= Grid point 8 (5/44) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( 18.493 0.000 2.575) 18.671 0.741 ( 22.697 0.000 3.372) 22.946 0.991 ( 32.362 0.000 5.566) 32.837 1.212 ( 10.666 0.000 -5.989) 12.232 1.264 ( 12.031 0.000 -0.511) 12.042 1.313 ( -0.474 -0.000 0.761) 0.897 1.315 ( 0.797 0.000 -0.329) 0.862 1.332 ( 0.662 0.000 -0.121) 0.673 1.332 ( 0.710 0.000 -0.125) 0.721 1.471 ( 2.298 0.000 1.745) 2.885 1.559 ( 1.488 0.000 -1.330) 1.996 1.585 ( 2.242 0.000 -3.017) 3.759 1.623 ( 2.409 0.000 -0.011) 2.409 1.643 ( -5.079 -0.000 2.369) 5.604 1.827 ( 3.911 0.000 0.054) 3.911 1.866 ( 6.706 0.000 -0.379) 6.716 1.942 ( 2.388 0.000 1.670) 2.914 2.077 ( -0.491 -0.000 -0.440) 0.659 2.089 ( 0.387 0.000 -0.668) 0.772 2.119 ( -0.521 -0.000 -3.161) 3.204 2.173 ( 1.478 0.000 0.178) 1.488 2.192 ( 3.878 0.000 -3.148) 4.995 2.235 ( 0.490 0.000 -1.850) 1.914 2.279 ( 2.160 0.000 0.528) 2.224 2.403 ( 1.666 0.000 1.095) 1.993 2.406 ( 4.950 0.000 -1.339) 5.128 2.467 ( -6.422 -0.000 1.806) 6.671 2.468 ( -5.048 -0.000 -1.919) 5.401 2.500 ( 4.363 0.000 -1.517) 4.619 2.573 ( 9.137 0.000 -1.642) 9.283 2.749 ( 0.141 0.000 5.336) 5.338 2.786 ( -2.000 -0.000 -0.863) 2.179 2.829 ( -0.992 -0.000 3.753) 3.882 2.843 ( -4.754 -0.000 1.749) 5.065 2.878 ( -0.323 -0.000 -1.108) 1.154 2.910 ( -2.144 -0.000 0.240) 2.157 2.954 ( 0.864 0.000 -0.557) 1.028 2.964 ( 0.873 0.000 0.604) 1.061 3.094 ( 10.383 0.000 -0.141) 10.384 3.105 ( 10.317 0.000 -0.035) 10.317 3.491 ( 6.137 0.000 0.286) 6.143 3.513 ( 7.752 0.000 0.381) 7.762 3.583 ( -1.802 -0.000 -1.101) 2.112 3.728 ( -1.048 -0.000 0.580) 1.198 3.754 ( -2.461 -0.000 -0.508) 2.513 3.761 ( -1.655 -0.000 0.011) 1.655 3.785 ( -0.619 -0.000 0.270) 0.675 3.811 ( -2.351 -0.000 0.540) 2.413 3.876 ( 1.092 0.000 -0.389) 1.159 3.909 ( 2.278 0.000 0.288) 2.296 3.942 ( 4.546 0.000 0.634) 4.590 4.057 ( 3.372 0.000 -1.666) 3.761 4.221 ( 4.993 0.000 -0.169) 4.996 4.222 ( 4.720 0.000 0.245) 4.727 4.383 ( -0.283 -0.000 0.606) 0.669 4.419 ( -0.705 -0.000 0.292) 0.763 5.366 ( -6.196 -0.000 -0.186) 6.199 5.384 ( -6.072 -0.000 -0.265) 6.077 5.495 ( -1.378 -0.000 0.838) 1.613 5.497 ( -0.793 -0.000 -0.742) 1.086 5.506 ( -0.270 -0.000 0.110) 0.292 5.574 ( -0.945 -0.000 -0.831) 1.258 5.950 ( -4.574 -0.000 2.269) 5.106 6.092 ( -6.501 -0.000 -0.911) 6.565 8.855 ( -5.594 -0.000 -0.005) 5.594 8.867 ( -5.232 -0.000 -0.043) 5.232 8.882 ( -4.528 -0.000 -0.248) 4.535 8.887 ( -4.778 -0.000 0.223) 4.783 8.958 ( -0.704 -0.000 0.147) 0.719 8.968 ( -1.255 -0.000 -0.178) 1.268 9.253 ( 14.802 0.000 -0.093) 14.802 9.314 ( 2.315 0.000 0.486) 2.365 9.391 ( -1.502 -0.000 -0.630) 1.628 9.420 ( -0.596 -0.000 -0.697) 0.917 9.499 ( -1.486 -0.000 0.216) 1.502 9.515 ( 2.044 0.000 -0.685) 2.155 9.566 ( 1.331 0.000 0.932) 1.625 9.627 ( 6.286 0.000 0.256) 6.291 9.722 ( 6.474 0.000 0.027) 6.474 9.760 ( -3.852 -0.000 0.136) 3.855 9.883 ( -3.410 -0.000 0.178) 3.414 9.883 ( -3.560 -0.000 -0.147) 3.563 9.915 ( -0.280 -0.000 0.582) 0.646 10.167 ( 1.515 0.000 -3.299) 3.630 10.180 ( 7.658 0.000 -1.212) 7.753 10.182 ( 7.091 0.000 0.029) 7.091 10.187 ( 5.317 0.000 -0.071) 5.317 10.189 ( 5.345 0.000 0.122) 5.346 10.389 ( -4.838 -0.000 -2.971) 5.678 10.401 ( -8.320 -0.000 -0.495) 8.334 10.678 ( 0.114 0.000 2.980) 2.982 10.695 ( 2.256 0.000 -0.859) 2.415 10.854 ( 5.674 0.000 -0.099) 5.675 10.861 ( 2.548 0.000 -3.532) 4.355 11.175 ( -1.913 -0.000 3.786) 4.242 11.283 ( -7.580 -0.000 0.624) 7.605======================= Grid point 9 (6/44) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 16.593 -6.032 1.106) 17.689 0.968 ( 17.357 4.641 3.157) 18.242 1.277 ( 4.494 3.444 -3.506) 6.660 1.290 ( 1.002 0.627 -1.354) 1.797 1.304 ( 0.949 0.903 0.089) 1.314 1.325 ( 1.154 0.266 -0.708) 1.380 1.356 ( 3.574 0.135 -0.707) 3.646 1.420 ( 6.545 2.698 0.309) 7.086 1.482 ( 11.602 -6.963 -3.606) 14.003 1.526 ( 6.543 -2.642 1.354) 7.185 1.552 ( 3.818 3.202 0.542) 5.012 1.633 ( 2.949 2.587 2.272) 4.533 1.679 ( 5.977 -3.050 -1.109) 6.802 1.719 ( 4.837 -9.244 5.677) 11.877 1.815 ( 5.050 5.241 -0.625) 7.305 1.941 ( 1.692 4.324 2.676) 5.359 2.037 ( 2.224 1.586 -2.158) 3.481 2.044 ( 5.840 -4.677 1.239) 7.584 2.110 ( 0.412 -2.396 0.399) 2.464 2.133 ( 0.945 -1.986 -1.794) 2.838 2.177 ( 0.201 2.624 -1.073) 2.842 2.193 ( -0.322 0.135 -0.082) 0.358 2.232 ( -2.037 -0.804 -0.934) 2.381 2.347 ( -0.049 -2.311 0.368) 2.341 2.365 ( -5.082 -0.028 -0.994) 5.179 2.413 ( 2.320 -2.336 -2.132) 3.923 2.441 ( 1.436 0.262 -0.005) 1.460 2.461 ( 3.357 4.377 1.008) 5.607 2.532 ( 6.729 2.792 -1.461) 7.430 2.659 ( -3.710 3.422 1.119) 5.170 2.682 ( -3.872 2.587 -0.930) 4.749 2.732 ( -7.276 1.588 0.032) 7.447 2.766 ( -2.344 2.756 -0.271) 3.628 2.850 ( -1.271 1.023 0.545) 1.720 2.941 ( 6.319 -4.196 -0.745) 7.621 2.959 ( 3.232 -0.916 0.978) 3.499 2.999 ( 5.785 -4.794 0.971) 7.576 3.056 ( 8.912 -10.225 0.218) 13.565 3.238 ( 7.346 -3.203 0.013) 8.014 3.267 ( 7.305 -4.040 -0.208) 8.350 3.522 ( -2.314 0.489 1.026) 2.578 3.601 ( 4.504 -0.245 -0.438) 4.532 3.625 ( 6.061 -0.677 0.276) 6.105 3.660 ( -0.107 4.657 0.198) 4.662 3.690 ( -0.722 4.024 -0.688) 4.146 3.721 ( -3.428 1.567 -0.138) 3.772 3.811 ( -0.698 -3.984 -0.549) 4.082 3.831 ( -0.215 -2.275 1.377) 2.668 3.862 ( 0.933 2.984 -0.403) 3.152 3.874 ( 1.979 5.718 0.633) 6.084 4.052 ( 2.645 -1.455 -0.892) 3.148 4.110 ( 2.633 0.446 1.025) 2.860 4.285 ( 4.359 -0.344 -0.252) 4.380 4.299 ( 5.131 -0.737 -0.132) 5.185 4.410 ( 3.241 -3.304 0.036) 4.628 4.460 ( 2.576 -4.936 0.382) 5.581 5.242 ( -8.308 3.319 0.209) 8.949 5.259 ( -8.796 2.900 -0.403) 9.270 5.439 ( -1.557 3.555 0.327) 3.895 5.453 ( -1.059 2.247 -0.130) 2.487 5.549 ( 0.567 -4.185 -0.417) 4.243 5.599 ( -1.281 -4.412 -0.257) 4.601 5.883 ( -5.535 -0.122 2.040) 5.900 5.981 ( -7.584 0.963 -1.360) 7.765 8.710 ( -5.245 5.266 -0.039) 7.432 8.746 ( -4.832 4.798 -0.001) 6.809 8.854 ( -4.889 -4.395 0.051) 6.575 8.879 ( -4.791 -4.220 -0.074) 6.385 8.963 ( -2.100 -2.525 0.116) 3.287 8.972 ( -2.066 -3.263 -0.054) 3.863 9.303 ( 5.364 5.173 0.286) 7.457 9.313 ( 1.832 6.555 -0.402) 6.819 9.425 ( -1.051 -0.729 -0.364) 1.330 9.427 ( -0.457 0.306 0.156) 0.572 9.512 ( 2.302 3.393 -0.643) 4.151 9.529 ( 1.281 4.219 -0.076) 4.410 9.544 ( 7.720 -3.329 1.430) 8.528 9.734 ( -1.878 -4.093 -0.617) 4.546 9.777 ( 2.200 -6.647 1.960) 7.271 9.840 ( -3.520 -5.573 -0.053) 6.591 9.842 ( 1.428 -0.456 0.288) 1.526 9.881 ( 3.720 -2.265 -0.821) 4.432 9.948 ( 1.284 -1.713 0.506) 2.200 10.163 ( 1.185 1.563 -2.097) 2.871 10.201 ( 4.266 4.333 -0.070) 6.081 10.225 ( 6.766 3.626 -0.151) 7.678 10.282 ( -4.807 2.779 -1.833) 5.847 10.298 ( -2.062 -1.777 -0.459) 2.760 10.316 ( 4.667 -1.387 -0.374) 4.883 10.326 ( 4.256 -0.478 -0.327) 4.295 10.684 ( -0.535 -0.438 2.384) 2.483 10.722 ( 2.320 0.146 -0.439) 2.366 10.834 ( 2.508 4.479 0.010) 5.134 10.981 ( 3.391 -4.644 -0.106) 5.752 11.023 ( -3.477 8.295 -0.323) 9.000 11.296 ( -5.848 -7.021 0.383) 9.145======================= Grid point 10 (7/44) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 9.852 1.749 2.196) 10.245 1.131 ( 10.858 -6.901 -1.419) 12.943 1.228 ( -1.925 2.907 0.512) 3.524 1.279 ( -1.877 2.294 0.965) 3.117 1.307 ( 1.914 2.186 -0.575) 2.962 1.327 ( -0.602 0.906 -0.693) 1.290 1.395 ( 4.777 1.928 -2.822) 5.873 1.415 ( 3.632 4.110 -1.185) 5.611 1.498 ( 1.236 7.735 2.118) 8.115 1.566 ( 2.919 3.820 -2.045) 5.225 1.639 ( 5.835 0.913 0.575) 5.934 1.696 ( 3.370 4.419 -0.073) 5.558 1.712 ( 6.825 -1.285 1.343) 7.073 1.854 ( -1.922 6.420 0.129) 6.703 1.917 ( 8.783 -2.686 -1.036) 9.242 1.993 ( 7.097 0.439 2.438) 7.516 2.039 ( 3.546 -3.117 1.679) 5.011 2.125 ( -0.735 -0.034 -1.093) 1.318 2.132 ( -1.489 -1.609 0.532) 2.256 2.177 ( 0.547 -1.333 0.543) 1.539 2.182 ( 1.565 -2.943 0.904) 3.453 2.230 ( 0.379 -3.262 -1.065) 3.452 2.261 ( 2.983 -4.056 -0.129) 5.037 2.301 ( -4.033 -2.250 0.312) 4.629 2.370 ( -0.734 -1.656 2.119) 2.788 2.398 ( -2.260 2.360 -0.572) 3.317 2.457 ( 1.458 4.736 0.217) 4.960 2.472 ( 4.452 4.842 -1.189) 6.685 2.499 ( -1.077 3.555 -0.617) 3.765 2.557 ( -0.792 6.453 -1.297) 6.629 2.633 ( -3.305 -0.181 -0.130) 3.312 2.651 ( 0.011 -4.123 -1.296) 4.322 2.707 ( 3.358 3.162 -1.042) 4.729 2.798 ( -4.521 1.854 0.953) 4.978 2.959 ( 2.781 2.295 -0.590) 3.654 2.988 ( 2.560 1.986 0.508) 3.280 3.264 ( 7.282 -9.213 0.451) 11.752 3.321 ( 3.814 -6.415 -0.070) 7.463 3.379 ( 2.911 -2.346 -0.150) 3.742 3.394 ( 6.208 -7.343 0.235) 9.618 3.481 ( -1.028 0.599 -0.050) 1.191 3.583 ( 0.140 4.162 0.174) 4.168 3.612 ( -1.260 2.106 0.204) 2.462 3.633 ( -5.023 3.477 0.113) 6.110 3.684 ( 3.589 1.121 -0.472) 3.789 3.704 ( 3.533 0.703 -0.050) 3.603 3.810 ( 2.505 5.294 0.389) 5.870 3.811 ( 0.687 4.804 0.301) 4.862 3.851 ( -0.532 -3.055 -1.050) 3.274 3.880 ( -0.592 -2.014 0.584) 2.179 4.040 ( 1.192 3.771 -0.238) 3.962 4.080 ( -0.362 4.126 0.768) 4.212 4.349 ( 3.025 0.182 -0.053) 3.031 4.360 ( 2.907 0.673 -0.162) 2.989 4.551 ( 4.821 -5.421 -0.025) 7.255 4.596 ( 3.920 -4.958 0.131) 6.322 5.076 ( -7.813 2.556 0.224) 8.224 5.093 ( -8.251 1.647 -0.274) 8.418 5.387 ( 0.012 1.978 0.351) 2.009 5.421 ( 0.140 1.031 -0.206) 1.061 5.615 ( -0.025 -3.912 -0.393) 3.932 5.639 ( -1.505 -3.783 0.254) 4.079 5.830 ( -4.275 -2.001 1.325) 4.902 5.879 ( -5.621 -1.054 -1.202) 5.844 8.604 ( -1.922 2.372 0.037) 3.053 8.648 ( -2.008 2.031 -0.068) 2.857 8.848 ( -4.524 -4.194 0.029) 6.169 8.869 ( -4.759 -4.067 -0.033) 6.260 8.971 ( -2.357 -3.324 0.284) 4.085 8.988 ( -2.194 -3.745 -0.203) 4.345 9.274 ( 3.670 5.013 -0.082) 6.213 9.303 ( 4.306 4.639 0.048) 6.330 9.399 ( 0.281 1.706 0.199) 1.741 9.417 ( 1.070 1.424 -0.198) 1.792 9.481 ( 0.946 2.167 -0.419) 2.401 9.498 ( 1.235 2.715 0.243) 2.992 9.700 ( 3.627 -4.658 0.754) 5.951 9.769 ( -1.437 -4.140 0.278) 4.391 9.802 ( -3.943 0.303 -0.291) 3.966 9.824 ( -3.058 -2.313 -0.155) 3.838 9.915 ( -0.340 -2.223 2.050) 3.043 9.984 ( 3.004 -2.983 -1.295) 4.427 10.000 ( 2.629 -3.925 -1.675) 5.012 10.126 ( -5.725 2.436 0.247) 6.227 10.150 ( -1.265 2.352 -0.393) 2.700 10.216 ( 1.991 0.503 0.452) 2.102 10.263 ( 6.708 4.587 -0.163) 8.128 10.286 ( 3.441 3.626 -0.511) 5.025 10.384 ( 3.402 0.783 0.119) 3.493 10.399 ( 3.955 0.885 -0.106) 4.055 10.687 ( -0.881 -0.828 0.745) 1.421 10.752 ( 2.214 0.143 0.121) 2.222 10.816 ( 2.740 3.053 0.503) 4.133 10.888 ( -1.956 4.618 -0.911) 5.098 11.073 ( 0.354 -3.746 -0.151) 3.766 11.288 ( -4.749 -3.142 0.072) 5.695======================= Grid point 11 (8/44) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( -12.343 11.743 -0.231) 17.038 1.113 ( 1.459 8.963 0.856) 9.121 1.224 ( 1.899 -0.186 0.865) 2.095 1.272 ( 1.601 2.387 -1.368) 3.183 1.301 ( 0.268 -0.236 0.401) 0.536 1.333 ( 1.148 -1.478 -0.275) 1.892 1.385 ( 3.612 7.187 2.430) 8.403 1.417 ( 3.227 2.851 -1.068) 4.437 1.507 ( 7.164 0.488 -2.094) 7.480 1.580 ( 5.278 3.354 0.243) 6.258 1.633 ( 0.335 4.806 -0.063) 4.818 1.695 ( 3.862 4.040 -0.320) 5.598 1.708 ( -1.756 6.795 -0.622) 7.045 1.840 ( 5.293 -1.072 1.477) 5.599 1.898 ( -2.336 6.591 0.335) 7.001 2.004 ( 1.933 5.023 -0.873) 5.453 2.075 ( -3.853 8.043 -0.875) 8.961 2.120 ( 0.311 -1.518 -0.696) 1.699 2.157 ( -1.561 1.574 -0.036) 2.217 2.180 ( -3.481 -0.838 0.352) 3.598 2.183 ( -2.406 1.193 0.939) 2.844 2.251 ( -2.135 -0.087 -0.537) 2.203 2.271 ( 1.940 -5.840 0.638) 6.187 2.297 ( -3.744 -0.730 -0.962) 3.934 2.352 ( 0.481 3.007 -0.711) 3.128 2.369 ( 1.943 -1.353 1.258) 2.681 2.470 ( 4.659 1.928 1.768) 5.343 2.493 ( 6.315 -1.536 -0.423) 6.513 2.540 ( 4.279 -2.061 2.457) 5.347 2.554 ( 5.277 1.226 -0.704) 5.463 2.622 ( -0.759 1.915 0.348) 2.089 2.653 ( 0.444 -2.645 0.299) 2.699 2.704 ( -0.761 1.834 -0.095) 1.988 2.793 ( 1.706 -4.630 -2.578) 5.568 2.969 ( 3.342 2.577 -0.162) 4.223 2.989 ( 2.513 2.952 -0.304) 3.889 3.280 ( -7.929 7.137 0.328) 10.673 3.363 ( -2.814 1.391 -0.243) 3.149 3.389 ( -4.054 4.776 0.270) 6.270 3.413 ( -4.172 4.962 -0.221) 6.486 3.473 ( -2.622 0.901 1.412) 3.111 3.551 ( 2.029 0.675 0.544) 2.206 3.594 ( 2.005 -1.249 -0.398) 2.396 3.610 ( 3.093 -4.649 -0.070) 5.585 3.693 ( 0.714 3.679 0.007) 3.748 3.704 ( 2.155 3.129 -0.173) 3.803 3.769 ( 0.247 1.278 1.021) 1.654 3.797 ( 1.457 1.037 -1.250) 2.182 3.879 ( -0.488 -1.986 -0.979) 2.267 3.882 ( 0.123 0.728 -0.327) 0.808 4.038 ( 4.942 2.015 -0.856) 5.405 4.062 ( 2.163 0.556 1.424) 2.649 4.341 ( -0.638 3.277 -0.035) 3.339 4.347 ( -0.542 3.365 -0.072) 3.409 4.552 ( -5.567 4.909 -0.334) 7.430 4.585 ( -6.065 4.176 0.319) 7.370 5.064 ( 1.508 -7.607 -0.044) 7.755 5.090 ( 1.243 -8.128 -0.001) 8.222 5.396 ( 2.773 -0.213 0.492) 2.825 5.433 ( 2.212 -0.359 -0.263) 2.256 5.622 ( -3.397 -0.515 0.641) 3.495 5.647 ( -2.898 -1.599 -0.341) 3.328 5.835 ( -1.221 -4.493 -0.832) 4.730 5.893 ( 0.031 -6.078 0.533) 6.102 8.604 ( 2.300 -1.878 0.184) 2.975 8.644 ( 1.698 -1.857 -0.191) 2.523 8.845 ( -4.298 -4.205 -0.040) 6.013 8.863 ( -4.688 -4.442 0.037) 6.459 8.997 ( -1.504 -4.309 -0.358) 4.578 9.025 ( -0.766 -4.586 0.367) 4.664 9.253 ( 3.816 6.084 -0.159) 7.184 9.289 ( 4.187 5.808 0.180) 7.163 9.403 ( 1.983 0.079 0.195) 1.994 9.428 ( 2.409 0.215 -0.212) 2.428 9.479 ( 1.598 0.659 -0.060) 1.730 9.494 ( 2.430 1.478 0.304) 2.861 9.681 ( -6.827 5.884 -0.687) 9.038 9.772 ( -0.382 -2.557 0.017) 2.586 9.799 ( -3.349 -3.401 0.544) 4.804 9.810 ( -2.527 -2.626 -0.034) 3.645 9.913 ( -3.293 -1.317 0.479) 3.579 9.943 ( -4.764 3.507 -3.715) 6.986 10.019 ( -4.608 2.520 2.687) 5.899 10.131 ( 3.848 -6.071 0.270) 7.193 10.144 ( 1.344 -0.870 0.380) 1.645 10.241 ( 2.140 2.079 0.270) 2.996 10.270 ( 4.618 6.655 0.277) 8.105 10.283 ( 3.989 2.756 0.340) 4.860 10.385 ( 1.007 3.400 0.227) 3.553 10.402 ( 1.222 3.789 -0.035) 3.981 10.683 ( -1.236 -0.847 -1.284) 1.973 10.768 ( 2.196 2.230 -0.382) 3.153 10.817 ( 3.375 3.547 -0.297) 4.905 10.874 ( 2.671 -2.874 0.448) 3.949 11.077 ( -3.522 0.074 0.239) 3.531 11.274 ( -4.170 -4.029 0.117) 5.800======================= Grid point 12 (9/44) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -11.888 15.473 -1.313) 19.557 0.974 ( 4.806 17.496 -0.211) 18.145 1.230 ( 0.009 4.502 2.696) 5.247 1.241 ( 0.746 3.137 -0.876) 3.342 1.308 ( -0.146 -0.451 -0.019) 0.475 1.340 ( 0.447 1.502 -0.220) 1.582 1.343 ( 1.230 4.039 0.877) 4.313 1.415 ( 0.849 1.761 -1.575) 2.510 1.478 ( -4.596 11.996 2.827) 13.154 1.505 ( -3.830 8.809 -2.234) 9.862 1.576 ( 3.634 3.004 -0.833) 4.788 1.649 ( 1.121 2.605 -0.987) 3.003 1.680 ( -0.960 4.592 0.898) 4.777 1.758 ( -5.650 5.211 0.454) 7.700 1.836 ( 4.436 6.193 -0.651) 7.646 1.942 ( 2.760 0.704 -1.299) 3.130 1.997 ( 2.984 1.617 0.440) 3.422 2.047 ( -6.784 6.485 0.509) 9.399 2.114 ( -2.238 0.292 1.002) 2.469 2.121 ( -1.680 0.595 -1.234) 2.168 2.173 ( 1.743 -0.134 -2.015) 2.668 2.236 ( -1.909 -0.081 2.000) 2.766 2.271 ( 0.013 0.587 1.913) 2.001 2.365 ( 2.128 2.322 0.995) 3.303 2.385 ( -0.380 -2.340 0.423) 2.408 2.396 ( 1.482 -0.708 -1.164) 2.014 2.456 ( -0.894 0.473 0.047) 1.013 2.505 ( 4.245 4.674 1.718) 6.543 2.556 ( 3.503 7.161 -1.056) 8.041 2.644 ( 5.273 -4.252 -1.322) 6.902 2.689 ( 2.466 -4.603 1.211) 5.361 2.729 ( 0.479 -6.168 0.269) 6.192 2.764 ( 3.352 -3.025 0.087) 4.516 2.843 ( -0.400 -2.327 -2.293) 3.291 2.957 ( -3.032 6.074 -0.716) 6.826 2.971 ( 0.926 3.009 -0.424) 3.176 2.999 ( -6.680 8.480 0.671) 10.816 3.098 ( -10.395 10.960 1.310) 15.163 3.242 ( -5.303 8.111 0.254) 9.694 3.256 ( -3.166 10.630 -0.393) 11.099 3.505 ( -0.137 -2.508 0.796) 2.635 3.595 ( -0.087 3.631 0.116) 3.634 3.625 ( 3.191 -0.995 -0.820) 3.442 3.664 ( 3.741 -1.571 0.831) 4.142 3.667 ( 1.862 5.593 0.131) 5.897 3.709 ( -0.168 -4.514 0.034) 4.518 3.778 ( -1.066 -1.412 0.085) 1.772 3.802 ( -0.840 -2.060 -0.844) 2.379 3.872 ( -0.548 0.492 -0.970) 1.218 3.891 ( 3.200 1.780 -0.010) 3.662 4.064 ( -1.156 3.068 0.930) 3.408 4.080 ( 3.048 2.052 -0.651) 3.732 4.263 ( -1.814 4.549 0.046) 4.897 4.270 ( -1.697 4.595 -0.127) 4.900 4.393 ( -4.972 3.259 -0.020) 5.945 4.443 ( -5.357 1.810 0.015) 5.655 5.227 ( 2.977 -9.183 0.017) 9.653 5.249 ( 2.484 -9.083 -0.034) 9.416 5.455 ( 3.829 -0.902 0.405) 3.954 5.481 ( 3.583 -0.601 -0.070) 3.633 5.567 ( -3.491 0.773 0.421) 3.600 5.613 ( -4.217 -0.817 -0.243) 4.302 5.900 ( 0.633 -4.850 -0.727) 4.945 6.004 ( 1.582 -7.125 0.406) 7.310 8.709 ( 5.178 -5.201 0.183) 7.342 8.735 ( 4.282 -4.892 -0.193) 6.504 8.848 ( -4.204 -4.714 -0.010) 6.317 8.864 ( -4.647 -5.082 0.027) 6.887 9.029 ( -2.210 -3.096 -0.287) 3.814 9.059 ( -2.131 -1.377 0.226) 2.547 9.220 ( 5.698 7.135 -0.282) 9.136 9.292 ( 6.772 3.251 0.760) 7.550 9.422 ( -4.028 3.001 0.431) 5.041 9.451 ( -1.354 -0.404 -1.294) 1.915 9.490 ( 1.515 2.611 0.529) 3.065 9.511 ( 0.690 0.904 -0.232) 1.161 9.530 ( 5.527 2.117 0.082) 5.919 9.755 ( -5.449 -2.099 0.827) 5.897 9.774 ( -7.309 3.500 -3.100) 8.677 9.804 ( -0.699 -2.004 0.735) 2.246 9.836 ( -2.365 -3.026 -0.133) 3.843 9.886 ( -3.028 3.157 -0.369) 4.390 9.919 ( -3.492 1.112 1.154) 3.842 10.171 ( 1.920 1.350 1.630) 2.857 10.215 ( 3.627 6.128 0.045) 7.121 10.239 ( 3.319 5.576 0.774) 6.535 10.274 ( 2.515 -5.739 -0.400) 6.279 10.290 ( -1.174 0.986 0.542) 1.626 10.324 ( -0.720 5.920 0.617) 5.996 10.355 ( 0.422 0.801 -0.029) 0.906 10.675 ( -1.007 -0.585 -1.198) 1.671 10.755 ( 1.668 3.017 -0.888) 3.560 10.830 ( 4.976 3.066 -0.007) 5.844 10.975 ( -0.502 1.484 -1.637) 2.266 11.016 ( 2.820 -2.872 2.214) 4.594 11.268 ( -7.597 -5.997 -0.164) 9.680======================= Grid point 13 (10/44) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( -0.000 16.004 -0.000) 16.004 0.759 ( -0.000 23.086 -0.000) 23.086 0.946 ( -0.000 30.214 -0.000) 30.214 1.170 ( -0.000 7.338 -0.000) 7.338 1.268 ( -0.000 12.205 -0.000) 12.205 1.310 ( 0.000 -0.272 0.000) 0.272 1.321 ( -0.000 1.181 -0.000) 1.181 1.331 ( -0.000 1.804 -0.000) 1.804 1.337 ( -0.000 1.257 -0.000) 1.257 1.432 ( 0.000 -0.123 0.000) 0.123 1.587 ( -0.000 1.865 -0.000) 1.865 1.592 ( -0.000 1.910 -0.000) 1.910 1.623 ( -0.000 2.910 -0.000) 2.910 1.714 ( 0.000 -2.133 0.000) 2.133 1.835 ( -0.000 4.652 -0.000) 4.652 1.863 ( -0.000 6.405 -0.000) 6.405 1.948 ( -0.000 2.347 -0.000) 2.347 2.053 ( 0.000 -2.388 0.000) 2.388 2.091 ( 0.000 -0.271 0.000) 0.271 2.099 ( -0.000 0.755 -0.000) 0.755 2.196 ( -0.000 3.033 -0.000) 3.033 2.205 ( 0.000 -1.073 0.000) 1.073 2.238 ( -0.000 5.474 -0.000) 5.474 2.276 ( -0.000 1.962 -0.000) 1.962 2.376 ( -0.000 1.371 -0.000) 1.371 2.432 ( -0.000 7.407 -0.000) 7.407 2.486 ( 0.000 -5.557 0.000) 5.557 2.510 ( -0.000 4.711 -0.000) 4.711 2.542 ( 0.000 -5.641 0.000) 5.641 2.582 ( -0.000 12.023 -0.000) 12.023 2.735 ( 0.000 -3.201 0.000) 3.201 2.805 ( -0.000 0.211 -0.000) 0.211 2.805 ( 0.000 -5.231 0.000) 5.231 2.864 ( 0.000 -4.883 0.000) 4.883 2.910 ( -0.000 5.098 -0.000) 5.098 2.912 ( 0.000 -3.139 0.000) 3.139 2.945 ( -0.000 0.951 -0.000) 0.951 2.955 ( -0.000 2.053 -0.000) 2.053 3.059 ( -0.000 10.898 -0.000) 10.898 3.069 ( -0.000 11.448 -0.000) 11.448 3.493 ( -0.000 7.604 -0.000) 7.604 3.509 ( -0.000 3.404 -0.000) 3.404 3.611 ( -0.000 1.931 -0.000) 1.931 3.712 ( 0.000 -3.272 0.000) 3.272 3.744 ( 0.000 -2.820 0.000) 2.820 3.744 ( 0.000 -2.849 0.000) 2.849 3.772 ( 0.000 -1.484 0.000) 1.484 3.829 ( 0.000 -2.028 0.000) 2.028 3.861 ( -0.000 0.344 -0.000) 0.344 3.905 ( -0.000 1.888 -0.000) 1.888 3.963 ( -0.000 5.501 -0.000) 5.501 4.055 ( -0.000 2.850 -0.000) 2.850 4.192 ( -0.000 3.575 -0.000) 3.575 4.197 ( -0.000 3.806 -0.000) 3.806 4.358 ( 0.000 -1.097 0.000) 1.097 4.412 ( 0.000 -1.253 0.000) 1.253 5.362 ( 0.000 -7.032 0.000) 7.032 5.376 ( 0.000 -6.595 0.000) 6.595 5.506 ( 0.000 -0.666 0.000) 0.666 5.510 ( -0.000 0.654 -0.000) 0.654 5.536 ( -0.000 1.181 -0.000) 1.181 5.575 ( 0.000 -1.273 0.000) 1.273 5.962 ( 0.000 -3.355 0.000) 3.355 6.108 ( 0.000 -5.736 0.000) 5.736 8.852 ( 0.000 -5.656 0.000) 5.656 8.863 ( 0.000 -5.072 0.000) 5.072 8.871 ( 0.000 -5.068 0.000) 5.068 8.876 ( 0.000 -5.879 0.000) 5.879 9.015 ( -0.000 2.148 -0.000) 2.148 9.020 ( -0.000 2.005 -0.000) 2.005 9.178 ( -0.000 11.717 -0.000) 11.717 9.266 ( -0.000 0.040 -0.000) 0.040 9.373 ( 0.000 -2.864 0.000) 2.864 9.454 ( -0.000 0.370 -0.000) 0.370 9.499 ( -0.000 1.154 -0.000) 1.154 9.526 ( 0.000 -1.416 0.000) 1.416 9.566 ( -0.000 2.442 -0.000) 2.442 9.618 ( -0.000 6.162 -0.000) 6.162 9.745 ( -0.000 7.362 -0.000) 7.362 9.757 ( 0.000 -3.801 0.000) 3.801 9.860 ( 0.000 -4.798 0.000) 4.798 9.882 ( 0.000 -3.441 0.000) 3.441 9.899 ( 0.000 -1.437 0.000) 1.437 10.157 ( -0.000 3.933 -0.000) 3.933 10.176 ( -0.000 6.616 -0.000) 6.616 10.189 ( -0.000 5.313 -0.000) 5.313 10.192 ( -0.000 5.514 -0.000) 5.514 10.221 ( -0.000 5.700 -0.000) 5.700 10.385 ( 0.000 -5.704 0.000) 5.704 10.420 ( 0.000 -7.142 0.000) 7.142 10.666 ( -0.000 0.465 -0.000) 0.465 10.725 ( -0.000 3.132 -0.000) 3.132 10.856 ( -0.000 6.004 -0.000) 6.004 10.862 ( -0.000 1.257 -0.000) 1.257 11.165 ( 0.000 -0.660 0.000) 0.660 11.254 ( 0.000 -9.373 0.000) 9.373======================= Grid point 16 (11/44) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 13.875 0.000 1.405) 13.946 1.149 ( 6.105 0.000 -0.339) 6.115 1.283 ( -0.419 -0.000 -1.093) 1.171 1.304 ( -0.564 -0.000 0.806) 0.983 1.334 ( 0.134 0.000 0.048) 0.142 1.340 ( 0.357 0.000 -0.155) 0.389 1.476 ( 10.648 0.000 -5.178) 11.840 1.542 ( 6.840 0.000 -2.516) 7.288 1.551 ( 6.199 0.000 1.481) 6.373 1.622 ( 4.080 0.000 1.327) 4.290 1.665 ( 3.470 0.000 -1.707) 3.867 1.717 ( 9.057 0.000 -2.042) 9.285 1.729 ( 7.269 0.000 6.909) 10.028 1.802 ( 13.987 0.000 2.799) 14.264 1.950 ( 4.822 0.000 0.448) 4.843 2.034 ( 3.224 0.000 2.803) 4.273 2.057 ( 0.836 0.000 -0.296) 0.886 2.071 ( 4.338 0.000 1.583) 4.618 2.102 ( 3.805 0.000 1.258) 4.007 2.109 ( 0.191 0.000 -3.550) 3.555 2.160 ( -3.296 -0.000 -1.297) 3.542 2.195 ( 0.705 0.000 -0.885) 1.131 2.259 ( -1.346 -0.000 1.258) 1.842 2.278 ( -3.812 -0.000 0.845) 3.905 2.318 ( -1.113 -0.000 -0.650) 1.288 2.386 ( 1.353 0.000 -4.306) 4.513 2.450 ( 0.496 0.000 1.589) 1.665 2.574 ( -1.072 -0.000 -0.493) 1.180 2.606 ( -8.612 -0.000 -0.199) 8.614 2.616 ( -8.070 -0.000 0.230) 8.073 2.638 ( 5.526 0.000 -1.010) 5.618 2.648 ( -2.559 -0.000 0.019) 2.559 2.840 ( 7.027 0.000 0.424) 7.039 2.908 ( 4.185 0.000 0.208) 4.190 2.994 ( 7.890 0.000 -1.206) 7.982 3.022 ( 9.684 0.000 0.840) 9.720 3.048 ( 4.740 0.000 1.129) 4.872 3.092 ( 9.890 0.000 -1.895) 10.070 3.303 ( 5.098 0.000 -0.980) 5.191 3.316 ( 4.558 0.000 0.904) 4.647 3.492 ( -2.747 -0.000 1.521) 3.140 3.643 ( 0.589 0.000 -0.850) 1.034 3.644 ( -4.939 -0.000 -0.022) 4.939 3.676 ( -1.009 -0.000 1.159) 1.537 3.747 ( 1.623 0.000 1.256) 2.052 3.751 ( 3.670 0.000 -0.720) 3.740 3.776 ( 0.587 0.000 -0.385) 0.702 3.780 ( 2.064 0.000 -0.398) 2.102 3.891 ( -1.221 -0.000 1.137) 1.669 3.936 ( -2.266 -0.000 -0.856) 2.423 4.120 ( 8.423 0.000 1.401) 8.539 4.195 ( 7.479 0.000 -1.777) 7.687 4.345 ( 4.562 0.000 0.155) 4.565 4.365 ( 4.959 0.000 0.083) 4.959 4.437 ( 4.557 0.000 0.223) 4.562 4.446 ( 3.337 0.000 0.254) 3.346 5.138 ( -10.367 -0.000 0.424) 10.375 5.140 ( -11.250 -0.000 -0.539) 11.263 5.455 ( -1.432 -0.000 1.148) 1.835 5.480 ( -0.239 -0.000 -0.838) 0.872 5.494 ( -0.524 -0.000 -0.120) 0.538 5.537 ( -1.255 -0.000 -0.538) 1.366 5.796 ( -7.066 -0.000 2.120) 7.377 5.866 ( -8.965 -0.000 -1.691) 9.123 8.710 ( -4.393 -0.000 0.253) 4.400 8.715 ( -4.879 -0.000 -0.054) 4.879 8.744 ( -4.800 -0.000 -0.481) 4.824 8.747 ( -4.929 -0.000 0.233) 4.935 8.925 ( -1.420 -0.000 -0.251) 1.442 8.928 ( -1.529 -0.000 0.256) 1.550 9.365 ( -2.521 -0.000 0.395) 2.552 9.388 ( -2.599 -0.000 -0.455) 2.638 9.404 ( 3.578 0.000 0.345) 3.594 9.408 ( 2.230 0.000 -0.435) 2.272 9.589 ( 1.794 0.000 1.154) 2.133 9.598 ( 2.864 0.000 -0.778) 2.967 9.635 ( 5.740 0.000 0.437) 5.757 9.681 ( -0.375 -0.000 -0.964) 1.034 9.714 ( -1.970 -0.000 0.827) 2.137 9.741 ( -3.588 -0.000 -0.076) 3.589 9.883 ( 3.710 0.000 0.922) 3.823 9.910 ( 4.184 0.000 -1.191) 4.350 10.006 ( 4.972 0.000 2.261) 5.462 10.162 ( -3.083 -0.000 -0.175) 3.088 10.195 ( -4.061 -0.000 0.168) 4.064 10.234 ( -2.223 -0.000 -4.005) 4.581 10.326 ( 4.423 0.000 -0.014) 4.423 10.327 ( 4.494 0.000 0.169) 4.497 10.407 ( 8.069 0.000 -0.051) 8.070 10.412 ( 7.522 0.000 -0.456) 7.536 10.678 ( -0.968 -0.000 2.871) 3.030 10.735 ( 0.177 0.000 -1.690) 1.700 10.935 ( 3.064 0.000 0.146) 3.067 10.943 ( 0.890 0.000 -1.009) 1.346 11.089 ( -5.309 -0.000 1.301) 5.467 11.125 ( -2.346 -0.000 -0.577) 2.416======================= Grid point 17 (12/44) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 7.232 -2.247 0.550) 7.593 1.213 ( 3.966 -0.382 -0.450) 4.010 1.250 ( 0.018 3.364 -0.437) 3.393 1.277 ( -2.433 3.512 0.589) 4.312 1.335 ( 0.220 0.539 0.041) 0.584 1.338 ( 0.507 0.103 -0.051) 0.519 1.541 ( 6.896 3.934 -1.401) 8.062 1.574 ( 5.477 6.797 0.426) 8.740 1.616 ( 3.431 3.005 0.702) 4.615 1.666 ( 4.470 2.975 -2.128) 5.776 1.726 ( 7.656 -2.088 0.526) 7.953 1.806 ( 4.577 3.009 -0.665) 5.518 1.833 ( 6.827 3.853 2.738) 8.304 1.922 ( -0.619 5.751 0.270) 5.791 1.990 ( 7.112 -3.539 0.315) 7.950 2.032 ( 0.771 -0.434 -0.691) 1.123 2.074 ( 1.834 -3.264 -0.088) 3.745 2.112 ( -2.875 -0.894 -1.017) 3.178 2.120 ( -0.076 1.008 0.823) 1.303 2.177 ( 1.482 -2.208 -1.218) 2.925 2.189 ( 0.110 1.827 0.487) 1.895 2.201 ( -1.928 3.861 0.417) 4.336 2.230 ( 5.016 -4.360 -0.014) 6.646 2.270 ( 4.687 -2.997 1.537) 5.771 2.330 ( -1.771 -1.763 2.862) 3.800 2.391 ( -0.290 -1.239 -1.445) 1.926 2.433 ( -8.921 3.709 -0.388) 9.669 2.474 ( -3.178 0.290 -0.493) 3.229 2.548 ( -3.296 -2.303 -0.322) 4.034 2.561 ( -2.356 -4.722 -0.573) 5.308 2.596 ( 1.477 2.057 -0.583) 2.598 2.675 ( -1.589 0.121 -0.518) 1.676 2.883 ( 11.184 9.621 1.029) 14.789 2.901 ( 9.312 11.492 -0.664) 14.806 3.067 ( 6.272 3.301 -0.804) 7.133 3.088 ( 5.557 3.539 0.856) 6.643 3.240 ( 6.260 -7.716 -0.007) 9.936 3.298 ( 5.365 -4.857 -1.103) 7.320 3.370 ( 3.551 -4.680 -0.630) 5.908 3.403 ( 3.963 -1.520 0.397) 4.263 3.472 ( -0.388 -1.393 1.189) 1.872 3.563 ( -5.690 0.697 -0.427) 5.748 3.597 ( -3.793 0.889 0.808) 3.978 3.632 ( -4.189 1.593 -0.201) 4.486 3.756 ( 2.706 0.510 0.857) 2.884 3.768 ( 3.411 2.344 -0.735) 4.203 3.817 ( 1.228 -0.551 -1.004) 1.679 3.841 ( -2.181 1.438 1.224) 2.885 3.851 ( -1.303 -0.674 -0.179) 1.478 3.859 ( -3.282 0.612 -0.238) 3.347 4.183 ( 9.076 7.594 0.283) 11.837 4.226 ( 7.381 9.108 -0.160) 11.725 4.408 ( 3.808 1.110 -0.030) 3.967 4.420 ( 3.323 1.484 0.072) 3.640 4.546 ( 5.329 -5.130 -0.275) 7.403 4.577 ( 4.457 -6.104 0.362) 7.566 4.968 ( -11.345 0.190 -0.180) 11.349 4.973 ( -10.974 0.904 0.117) 11.012 5.420 ( 0.412 2.150 0.596) 2.268 5.445 ( 0.741 1.698 -0.315) 1.879 5.548 ( -0.752 -4.951 -0.319) 5.018 5.556 ( -1.681 -3.928 0.077) 4.273 5.723 ( -6.311 -2.779 1.445) 7.046 5.757 ( -7.284 -2.645 -1.387) 7.873 8.615 ( -1.438 2.542 0.115) 2.923 8.648 ( -2.002 1.981 -0.122) 2.819 8.721 ( -4.230 -4.617 0.053) 6.262 8.738 ( -4.900 -4.250 -0.063) 6.487 8.914 ( -1.229 -1.422 -0.142) 1.884 8.928 ( -0.946 -2.304 0.149) 2.495 9.337 ( -0.782 -0.013 0.479) 0.917 9.353 ( -1.874 -0.637 -0.442) 2.028 9.427 ( 2.744 2.565 -0.018) 3.756 9.440 ( 2.614 1.343 -0.121) 2.942 9.565 ( 2.167 4.237 -0.347) 4.772 9.598 ( 2.519 4.184 0.598) 4.920 9.676 ( -0.074 -2.424 0.222) 2.435 9.696 ( -1.880 -2.526 -0.048) 3.149 9.733 ( -1.998 -3.150 -0.156) 3.733 9.738 ( -1.311 -2.529 0.103) 2.850 9.935 ( 2.544 0.921 0.961) 2.872 9.979 ( 3.164 -3.291 -1.237) 4.730 10.031 ( -0.371 2.373 -0.209) 2.411 10.081 ( -5.207 1.710 0.509) 5.505 10.155 ( 0.421 2.016 -0.021) 2.059 10.238 ( 1.799 -1.114 -0.537) 2.183 10.370 ( 3.452 1.403 0.033) 3.727 10.375 ( 3.235 1.223 -0.043) 3.459 10.483 ( 6.065 3.104 0.193) 6.816 10.498 ( 6.197 2.236 -0.207) 6.592 10.671 ( -0.939 -0.031 1.004) 1.375 10.734 ( -1.410 -2.147 -1.114) 2.800 10.905 ( 2.540 3.554 -0.040) 4.369 10.956 ( -0.423 5.700 -0.164) 5.718 11.023 ( -0.274 -2.845 0.380) 2.884 11.155 ( -4.675 -5.642 -0.091) 7.328======================= Grid point 18 (13/44) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -6.141 12.652 -0.278) 14.067 1.176 ( -0.993 2.988 0.572) 3.200 1.270 ( 3.032 0.607 0.333) 3.110 1.292 ( 2.321 0.300 -0.653) 2.430 1.324 ( -0.444 1.443 0.164) 1.518 1.342 ( 0.513 0.185 0.135) 0.562 1.544 ( 3.645 6.473 -0.178) 7.431 1.571 ( 5.891 5.651 0.210) 8.166 1.606 ( 3.121 3.203 0.201) 4.477 1.685 ( -0.309 4.348 -0.705) 4.415 1.734 ( 4.890 5.866 0.179) 7.639 1.791 ( -0.049 8.994 -2.344) 9.294 1.820 ( 3.219 4.546 1.986) 5.914 1.921 ( 5.927 0.647 -0.310) 5.970 1.963 ( 0.102 4.723 0.145) 4.726 2.023 ( -5.497 1.951 0.910) 5.903 2.102 ( -1.704 -1.605 0.729) 2.451 2.115 ( -3.787 1.544 0.620) 4.136 2.148 ( 1.295 -0.895 -0.725) 1.733 2.177 ( 1.109 2.752 -1.226) 3.210 2.190 ( 2.807 -1.752 1.327) 3.565 2.227 ( -3.083 1.502 0.706) 3.502 2.237 ( -3.118 5.109 -1.011) 6.070 2.270 ( 4.966 -2.330 -1.215) 5.619 2.325 ( -1.242 -3.550 -1.772) 4.158 2.391 ( -1.047 0.936 1.517) 2.068 2.435 ( 2.161 -7.985 0.096) 8.272 2.494 ( 0.622 -4.896 1.242) 5.089 2.555 ( -0.310 -2.619 2.232) 3.455 2.573 ( -2.260 -3.288 0.126) 3.992 2.609 ( -2.047 0.502 -1.627) 2.662 2.670 ( 0.939 -3.157 -1.379) 3.570 2.877 ( 11.284 11.902 0.323) 16.404 2.915 ( 12.224 10.181 -0.101) 15.908 3.087 ( 4.885 5.251 -0.253) 7.177 3.101 ( 4.500 5.336 -0.206) 6.984 3.267 ( -6.369 5.177 0.383) 8.217 3.335 ( -2.463 1.103 -0.335) 2.719 3.380 ( -4.988 3.531 -0.197) 6.115 3.420 ( -2.323 2.334 0.863) 3.404 3.449 ( -3.897 1.857 0.354) 4.331 3.549 ( 1.842 -6.102 -0.238) 6.378 3.591 ( 1.427 -1.002 0.449) 1.801 3.618 ( 2.394 -3.239 -0.197) 4.033 3.733 ( -3.735 2.874 -0.612) 4.752 3.758 ( -1.862 2.150 0.219) 2.853 3.793 ( 1.677 2.041 0.520) 2.692 3.806 ( 1.881 1.678 -0.761) 2.633 3.832 ( -0.519 -2.100 -1.202) 2.475 3.887 ( -0.834 -2.208 0.978) 2.555 4.201 ( 8.634 8.468 0.492) 12.104 4.213 ( 9.390 8.089 -0.409) 12.401 4.396 ( 0.530 4.533 -0.037) 4.564 4.403 ( 0.458 4.552 0.002) 4.575 4.542 ( -6.289 5.830 -0.261) 8.579 4.558 ( -7.529 5.597 0.287) 9.386 4.949 ( -0.458 -10.113 -0.028) 10.123 4.963 ( -0.476 -10.943 0.017) 10.953 5.435 ( 3.176 -0.399 0.451) 3.233 5.461 ( 2.754 -0.463 -0.254) 2.804 5.554 ( -3.863 -1.608 0.410) 4.204 5.571 ( -3.686 -2.130 -0.248) 4.264 5.725 ( -2.406 -7.185 -0.476) 7.592 5.781 ( -1.363 -8.371 0.248) 8.485 8.615 ( 2.542 -1.381 0.145) 2.896 8.643 ( 1.621 -1.651 -0.147) 2.319 8.722 ( -4.381 -4.078 -0.034) 5.986 8.729 ( -4.809 -4.364 0.027) 6.494 8.933 ( -0.534 -3.026 -0.215) 3.081 8.966 ( -0.023 -3.887 0.222) 3.893 9.348 ( 0.959 -1.105 -0.096) 1.467 9.358 ( 0.153 -1.799 0.151) 1.812 9.414 ( 1.430 3.542 -0.091) 3.821 9.440 ( 1.353 2.630 -0.015) 2.958 9.559 ( 3.548 2.475 0.203) 4.331 9.594 ( 3.943 2.611 -0.019) 4.729 9.668 ( -3.401 1.049 -0.333) 3.575 9.702 ( -2.443 -3.289 0.362) 4.113 9.721 ( -2.347 0.713 0.426) 2.490 9.742 ( -2.226 -1.251 -0.378) 2.581 9.912 ( -0.496 3.699 0.261) 3.741 9.943 ( -2.634 3.809 -1.925) 5.015 10.010 ( -2.413 2.336 1.321) 3.609 10.079 ( 1.677 -6.043 -0.195) 6.275 10.156 ( 1.397 -0.029 -0.234) 1.417 10.275 ( 1.549 -0.051 0.971) 1.829 10.376 ( 1.660 3.039 0.069) 3.463 10.376 ( 1.516 3.241 -0.029) 3.578 10.484 ( 2.886 5.806 0.406) 6.497 10.505 ( 2.951 5.804 -0.075) 6.511 10.656 ( -1.103 -0.266 -0.997) 1.510 10.763 ( -0.411 -3.635 0.037) 3.659 10.910 ( 3.313 2.564 -0.630) 4.236 10.927 ( 4.692 1.289 0.805) 4.932 11.024 ( -3.083 -0.314 -0.280) 3.111 11.147 ( -5.636 -3.835 0.247) 6.822======================= Grid point 19 (14/44) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( -0.000 16.893 -0.000) 16.893 1.133 ( -0.000 3.706 -0.000) 3.706 1.277 ( -0.000 1.902 -0.000) 1.902 1.284 ( -0.000 2.045 -0.000) 2.045 1.300 ( -0.000 0.373 -0.000) 0.373 1.341 ( -0.000 0.490 -0.000) 0.490 1.478 ( -0.000 7.814 -0.000) 7.814 1.512 ( -0.000 9.009 -0.000) 9.009 1.570 ( -0.000 6.021 -0.000) 6.021 1.601 ( -0.000 5.303 -0.000) 5.303 1.689 ( -0.000 6.407 -0.000) 6.407 1.708 ( -0.000 6.865 -0.000) 6.865 1.751 ( -0.000 3.535 -0.000) 3.535 1.818 ( -0.000 13.844 -0.000) 13.844 1.967 ( -0.000 3.684 -0.000) 3.684 2.001 ( -0.000 3.237 -0.000) 3.237 2.003 ( 0.000 -0.082 0.000) 0.082 2.067 ( -0.000 6.306 -0.000) 6.306 2.116 ( -0.000 0.010 -0.000) 0.010 2.123 ( -0.000 3.756 -0.000) 3.756 2.159 ( 0.000 -1.568 0.000) 1.568 2.222 ( 0.000 -0.896 0.000) 0.896 2.313 ( 0.000 -0.100 0.000) 0.100 2.320 ( 0.000 -4.613 0.000) 4.613 2.358 ( 0.000 -2.903 0.000) 2.903 2.397 ( 0.000 -0.585 0.000) 0.585 2.460 ( -0.000 2.697 -0.000) 2.697 2.583 ( 0.000 -1.607 0.000) 1.607 2.598 ( 0.000 -9.044 0.000) 9.044 2.627 ( 0.000 -3.796 0.000) 3.796 2.639 ( 0.000 -4.854 0.000) 4.854 2.697 ( -0.000 0.656 -0.000) 0.656 2.859 ( -0.000 6.953 -0.000) 6.953 2.873 ( -0.000 8.949 -0.000) 8.949 3.034 ( -0.000 13.847 -0.000) 13.847 3.045 ( -0.000 5.326 -0.000) 5.326 3.053 ( -0.000 5.335 -0.000) 5.335 3.156 ( -0.000 10.165 -0.000) 10.165 3.297 ( -0.000 5.039 -0.000) 5.039 3.359 ( -0.000 5.926 -0.000) 5.926 3.463 ( 0.000 -3.305 0.000) 3.305 3.633 ( 0.000 -4.059 0.000) 4.059 3.635 ( -0.000 0.728 -0.000) 0.728 3.643 ( 0.000 -1.008 0.000) 1.008 3.702 ( -0.000 1.345 -0.000) 1.345 3.719 ( 0.000 -2.542 0.000) 2.542 3.763 ( -0.000 3.329 -0.000) 3.329 3.780 ( -0.000 2.727 -0.000) 2.727 3.858 ( 0.000 -1.485 0.000) 1.485 3.916 ( 0.000 -1.969 0.000) 1.969 4.153 ( -0.000 8.442 -0.000) 8.442 4.193 ( -0.000 7.524 -0.000) 7.524 4.320 ( -0.000 5.495 -0.000) 5.495 4.331 ( -0.000 5.522 -0.000) 5.522 4.395 ( -0.000 4.512 -0.000) 4.512 4.418 ( -0.000 2.823 -0.000) 2.823 5.107 ( 0.000 -11.073 0.000) 11.073 5.125 ( 0.000 -11.236 0.000) 11.236 5.490 ( 0.000 -0.437 0.000) 0.437 5.503 ( 0.000 -1.488 0.000) 1.488 5.538 ( 0.000 -1.238 0.000) 1.238 5.540 ( 0.000 -0.967 0.000) 0.967 5.816 ( 0.000 -7.284 0.000) 7.284 5.900 ( 0.000 -9.053 0.000) 9.053 8.706 ( 0.000 -4.374 0.000) 4.374 8.720 ( 0.000 -4.619 0.000) 4.619 8.724 ( 0.000 -4.562 0.000) 4.562 8.733 ( 0.000 -4.493 0.000) 4.493 8.974 ( 0.000 -3.347 0.000) 3.347 9.019 ( 0.000 -3.301 0.000) 3.301 9.354 ( -0.000 5.349 -0.000) 5.349 9.392 ( 0.000 -2.748 0.000) 2.748 9.396 ( -0.000 3.959 -0.000) 3.959 9.405 ( 0.000 -2.367 0.000) 2.367 9.541 ( -0.000 5.975 -0.000) 5.975 9.588 ( -0.000 4.427 -0.000) 4.427 9.623 ( -0.000 2.409 -0.000) 2.409 9.688 ( 0.000 -2.181 0.000) 2.181 9.701 ( -0.000 0.080 -0.000) 0.080 9.743 ( 0.000 -3.976 0.000) 3.976 9.840 ( -0.000 4.468 -0.000) 4.468 9.900 ( -0.000 0.967 -0.000) 0.967 9.947 ( -0.000 4.415 -0.000) 4.415 10.170 ( 0.000 -3.411 0.000) 3.411 10.193 ( 0.000 -5.552 0.000) 5.552 10.279 ( -0.000 0.922 -0.000) 0.922 10.331 ( -0.000 4.666 -0.000) 4.666 10.335 ( -0.000 4.494 -0.000) 4.494 10.414 ( -0.000 6.637 -0.000) 6.637 10.431 ( -0.000 7.452 -0.000) 7.452 10.655 ( 0.000 -0.909 0.000) 0.909 10.789 ( -0.000 0.145 -0.000) 0.145 10.932 ( -0.000 2.364 -0.000) 2.364 10.962 ( -0.000 1.659 -0.000) 1.659 11.008 ( 0.000 -5.335 0.000) 5.335 11.129 ( 0.000 -2.132 0.000) 2.132======================= Grid point 24 (15/44) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 1.923 0.000 0.673) 2.037 1.247 ( 1.636 0.000 -0.745) 1.798 1.304 ( 2.760 0.000 -0.338) 2.781 1.304 ( 1.523 0.000 0.573) 1.627 1.333 ( -0.323 -0.000 0.238) 0.401 1.338 ( -0.238 -0.000 -0.232) 0.332 1.647 ( 4.477 0.000 -0.111) 4.479 1.667 ( 2.709 0.000 -1.161) 2.947 1.688 ( 1.186 0.000 1.970) 2.300 1.698 ( 0.165 0.000 -0.742) 0.760 1.844 ( 10.435 0.000 0.308) 10.440 1.886 ( 4.830 0.000 -0.936) 4.920 1.978 ( 0.555 0.000 -0.122) 0.569 1.982 ( 1.731 0.000 0.269) 1.752 2.000 ( -0.606 -0.000 1.332) 1.463 2.031 ( -0.521 -0.000 1.984) 2.051 2.037 ( 1.215 0.000 -0.133) 1.222 2.096 ( 2.602 0.000 -3.043) 4.003 2.100 ( 0.251 0.000 0.104) 0.272 2.119 ( -2.389 -0.000 -1.316) 2.728 2.174 ( -4.457 -0.000 3.225) 5.502 2.265 ( 3.044 0.000 -0.889) 3.171 2.277 ( -2.796 -0.000 -2.584) 3.807 2.288 ( 0.580 0.000 0.259) 0.635 2.312 ( 1.569 0.000 -0.156) 1.577 2.367 ( 3.967 0.000 1.665) 4.302 2.398 ( -2.922 -0.000 -0.480) 2.961 2.429 ( -3.962 -0.000 0.578) 4.004 2.483 ( -1.708 -0.000 1.920) 2.570 2.485 ( -2.716 -0.000 0.887) 2.858 2.604 ( 0.358 0.000 -2.378) 2.405 2.635 ( -2.730 -0.000 -1.052) 2.926 3.120 ( 9.229 0.000 1.173) 9.303 3.139 ( 7.152 0.000 0.698) 7.186 3.181 ( 7.111 0.000 -0.713) 7.147 3.232 ( 3.321 0.000 -0.516) 3.361 3.236 ( 8.681 0.000 1.381) 8.790 3.339 ( 3.902 0.000 -1.126) 4.062 3.401 ( 0.876 0.000 -0.672) 1.104 3.410 ( 2.621 0.000 0.212) 2.629 3.473 ( 5.299 0.000 -0.326) 5.309 3.487 ( -4.696 -0.000 -0.036) 4.696 3.541 ( -7.422 -0.000 -0.097) 7.422 3.563 ( -4.049 -0.000 0.313) 4.061 3.756 ( -4.189 -0.000 1.615) 4.490 3.768 ( -6.424 -0.000 -1.339) 6.562 3.809 ( 0.285 0.000 -0.649) 0.709 3.818 ( -1.201 -0.000 0.861) 1.478 3.856 ( 2.145 0.000 0.167) 2.151 3.856 ( 1.950 0.000 -0.335) 1.978 4.420 ( 12.861 0.000 0.767) 12.884 4.440 ( 9.581 0.000 -1.831) 9.755 4.471 ( 2.320 0.000 0.140) 2.325 4.472 ( 4.493 0.000 1.097) 4.625 4.567 ( 3.665 0.000 0.210) 3.671 4.574 ( 4.006 0.000 -0.151) 4.009 4.793 ( -13.324 -0.000 -0.119) 13.325 4.806 ( -13.762 -0.000 -0.005) 13.762 5.456 ( 1.234 0.000 1.248) 1.755 5.480 ( -0.232 -0.000 0.023) 0.233 5.481 ( 0.786 0.000 -1.084) 1.339 5.512 ( -0.364 -0.000 -0.092) 0.376 5.621 ( -5.267 -0.000 1.616) 5.509 5.628 ( -6.689 -0.000 -1.655) 6.890 8.630 ( -1.239 -0.000 0.109) 1.244 8.633 ( -1.243 -0.000 0.040) 1.244 8.644 ( -2.077 -0.000 -0.185) 2.086 8.646 ( -2.286 -0.000 0.039) 2.287 8.896 ( -0.559 0.000 -0.041) 0.560 8.896 ( -0.609 0.000 0.035) 0.610 9.314 ( -1.123 -0.000 0.322) 1.169 9.315 ( -1.634 -0.000 -0.307) 1.663 9.488 ( 2.658 0.000 0.153) 2.662 9.492 ( 2.462 0.000 -0.218) 2.471 9.616 ( 0.646 0.000 0.387) 0.753 9.625 ( 0.186 0.000 -0.404) 0.445 9.645 ( -2.307 -0.000 0.407) 2.342 9.645 ( -2.795 -0.000 -0.249) 2.806 9.723 ( 2.154 0.000 -0.375) 2.186 9.728 ( 1.196 0.000 0.307) 1.235 9.977 ( 1.950 0.000 0.304) 1.974 9.994 ( 1.961 0.000 -0.445) 2.011 10.024 ( -4.045 -0.000 0.114) 4.046 10.031 ( -1.648 -0.000 0.116) 1.652 10.213 ( 2.237 0.000 0.959) 2.434 10.229 ( 0.558 0.000 -1.166) 1.293 10.415 ( 1.830 0.000 -0.048) 1.830 10.416 ( 1.663 0.000 0.152) 1.670 10.587 ( 4.350 0.000 -0.093) 4.351 10.589 ( 4.237 0.000 0.382) 4.255 10.667 ( -0.313 -0.000 0.895) 0.948 10.684 ( -1.908 -0.000 -1.523) 2.442 10.946 ( 0.735 0.000 -0.105) 0.742 10.998 ( -2.778 -0.000 0.391) 2.806 11.004 ( 1.649 0.000 0.397) 1.696 11.051 ( -2.362 -0.000 -0.484) 2.411======================= Grid point 25 (16/44) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -0.000 8.572 -0.000) 8.572 1.219 ( -0.000 3.906 -0.000) 3.906 1.316 ( -0.000 0.731 -0.000) 0.731 1.320 ( -0.000 0.622 -0.000) 0.622 1.326 ( -0.000 0.897 -0.000) 0.897 1.343 ( 0.000 -0.655 0.000) 0.655 1.645 ( -0.000 4.359 -0.000) 4.359 1.650 ( -0.000 2.759 -0.000) 2.759 1.677 ( -0.000 1.541 -0.000) 1.541 1.721 ( -0.000 1.514 -0.000) 1.514 1.868 ( -0.000 6.676 -0.000) 6.676 1.890 ( -0.000 5.787 -0.000) 5.787 1.935 ( -0.000 3.671 -0.000) 3.671 1.962 ( -0.000 5.702 -0.000) 5.702 2.013 ( 0.000 -1.993 0.000) 1.993 2.020 ( 0.000 -2.939 0.000) 2.939 2.030 ( -0.000 1.734 -0.000) 1.734 2.092 ( 0.000 -0.901 0.000) 0.901 2.140 ( 0.000 -4.731 0.000) 4.731 2.144 ( -0.000 1.602 -0.000) 1.602 2.219 ( 0.000 -2.364 0.000) 2.364 2.225 ( 0.000 -2.604 0.000) 2.604 2.257 ( 0.000 -2.993 0.000) 2.993 2.292 ( -0.000 5.539 -0.000) 5.539 2.317 ( -0.000 1.772 -0.000) 1.772 2.367 ( -0.000 2.130 -0.000) 2.130 2.396 ( 0.000 -3.444 0.000) 3.444 2.430 ( 0.000 -3.447 0.000) 3.447 2.503 ( 0.000 -2.896 0.000) 2.896 2.505 ( 0.000 -4.866 0.000) 4.866 2.592 ( -0.000 0.751 -0.000) 0.751 2.634 ( 0.000 -2.216 0.000) 2.216 3.125 ( -0.000 8.713 -0.000) 8.713 3.160 ( -0.000 5.636 -0.000) 5.636 3.205 ( -0.000 5.497 -0.000) 5.497 3.230 ( -0.000 8.438 -0.000) 8.438 3.250 ( -0.000 0.689 -0.000) 0.689 3.345 ( 0.000 -0.794 0.000) 0.794 3.398 ( -0.000 5.094 -0.000) 5.094 3.406 ( -0.000 2.918 -0.000) 2.918 3.474 ( 0.000 -5.696 0.000) 5.696 3.478 ( -0.000 6.326 -0.000) 6.326 3.552 ( 0.000 -8.391 0.000) 8.391 3.564 ( 0.000 -3.538 0.000) 3.538 3.707 ( 0.000 -0.814 0.000) 0.814 3.757 ( 0.000 -2.303 0.000) 2.303 3.797 ( -0.000 1.346 -0.000) 1.346 3.827 ( 0.000 -2.319 0.000) 2.319 3.851 ( -0.000 2.232 -0.000) 2.232 3.864 ( -0.000 1.362 -0.000) 1.362 4.435 ( -0.000 12.088 -0.000) 12.088 4.457 ( -0.000 11.284 -0.000) 11.284 4.457 ( -0.000 3.491 -0.000) 3.491 4.462 ( -0.000 3.225 -0.000) 3.225 4.555 ( -0.000 5.177 -0.000) 5.177 4.562 ( -0.000 5.091 -0.000) 5.091 4.785 ( 0.000 -12.207 0.000) 12.207 4.789 ( 0.000 -12.973 0.000) 12.973 5.458 ( 0.000 -0.334 0.000) 0.334 5.484 ( 0.000 -0.056 0.000) 0.056 5.508 ( 0.000 -0.886 0.000) 0.886 5.514 ( 0.000 -0.483 0.000) 0.483 5.601 ( 0.000 -6.362 0.000) 6.362 5.654 ( 0.000 -7.643 0.000) 7.643 8.631 ( 0.000 -1.105 0.000) 1.105 8.635 ( 0.000 -1.463 0.000) 1.463 8.639 ( 0.000 -1.651 0.000) 1.651 8.642 ( 0.000 -1.943 0.000) 1.943 8.897 ( 0.000 -1.450 0.000) 1.450 8.918 ( 0.000 -2.868 0.000) 2.868 9.315 ( 0.000 -1.790 0.000) 1.790 9.322 ( 0.000 -2.176 0.000) 2.176 9.484 ( -0.000 3.319 -0.000) 3.319 9.496 ( -0.000 2.223 -0.000) 2.223 9.607 ( -0.000 1.435 -0.000) 1.435 9.627 ( -0.000 0.125 -0.000) 0.125 9.630 ( 0.000 -1.186 0.000) 1.186 9.649 ( 0.000 -2.591 0.000) 2.591 9.729 ( -0.000 1.101 -0.000) 1.101 9.737 ( -0.000 0.650 -0.000) 0.650 9.964 ( -0.000 3.560 -0.000) 3.560 9.976 ( -0.000 3.402 -0.000) 3.402 10.016 ( -0.000 0.522 -0.000) 0.522 10.024 ( 0.000 -3.243 0.000) 3.243 10.184 ( -0.000 2.644 -0.000) 2.644 10.273 ( 0.000 -2.152 0.000) 2.152 10.417 ( -0.000 1.471 -0.000) 1.471 10.418 ( -0.000 1.471 -0.000) 1.471 10.582 ( -0.000 4.490 -0.000) 4.490 10.598 ( -0.000 3.680 -0.000) 3.680 10.649 ( -0.000 0.754 -0.000) 0.754 10.705 ( 0.000 -3.570 0.000) 3.570 10.955 ( -0.000 0.989 -0.000) 0.989 10.968 ( 0.000 -0.324 0.000) 0.324 11.016 ( -0.000 1.103 -0.000) 1.103 11.050 ( 0.000 -3.005 0.000) 3.005======================= Grid point 49 (17/44) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( 0.320 0.000 18.741) 18.744 0.456 ( 3.171 0.000 18.965) 19.228 0.784 ( -7.055 -0.000 16.835) 18.254 0.870 ( -0.647 -0.000 -13.182) 13.198 0.923 ( 5.742 0.000 7.410) 9.375 1.319 ( -0.293 -0.000 0.002) 0.293 1.319 ( 0.437 0.000 -0.058) 0.441 1.321 ( 0.045 0.000 0.058) 0.073 1.321 ( -0.027 -0.000 0.001) 0.027 1.422 ( 1.124 0.000 0.862) 1.417 1.428 ( 0.814 0.000 0.777) 1.125 1.544 ( -0.611 -0.000 -2.425) 2.500 1.545 ( -0.757 -0.000 -0.812) 1.110 1.616 ( -1.752 -0.000 -29.356) 29.408 1.757 ( -0.334 -0.000 -0.289) 0.441 1.757 ( 0.153 0.000 -0.196) 0.248 1.857 ( 0.058 0.000 2.527) 2.527 1.857 ( -0.067 -0.000 2.486) 2.487 2.109 ( -1.401 -0.000 1.482) 2.039 2.111 ( -0.913 -0.000 0.046) 0.915 2.116 ( 1.217 0.000 -0.186) 1.232 2.157 ( -1.274 -0.000 -2.343) 2.666 2.220 ( 2.658 0.000 -0.200) 2.665 2.222 ( -1.244 -0.000 -0.105) 1.248 2.324 ( 2.114 0.000 -0.116) 2.117 2.337 ( -1.381 -0.000 -1.023) 1.719 2.385 ( -1.164 -0.000 0.469) 1.255 2.391 ( 1.508 0.000 -0.000) 1.508 2.658 ( -2.979 0.000 -0.037) 2.979 2.658 ( 2.705 0.000 -0.036) 2.705 2.804 ( 0.702 0.000 0.309) 0.766 2.804 ( 1.258 0.000 -0.104) 1.262 2.808 ( 0.760 0.000 0.159) 0.776 2.812 ( -1.174 -0.000 -0.550) 1.296 2.958 ( 0.089 0.000 -0.264) 0.279 2.962 ( 0.129 0.000 -0.309) 0.335 2.963 ( -0.701 -0.000 0.363) 0.790 2.967 ( 0.483 0.000 0.446) 0.657 3.008 ( 0.610 0.000 13.323) 13.337 3.212 ( -1.126 -0.000 -5.152) 5.273 3.372 ( -0.307 -0.000 0.071) 0.315 3.374 ( 0.236 0.000 -0.052) 0.242 3.677 ( -0.549 -0.000 4.358) 4.392 3.750 ( -0.446 -0.000 -0.248) 0.510 3.752 ( -0.235 -0.000 0.026) 0.237 3.789 ( 0.299 0.000 -0.322) 0.439 3.789 ( 0.079 0.000 0.090) 0.120 3.797 ( -0.092 -0.000 -4.526) 4.526 3.862 ( 0.131 0.000 -0.022) 0.132 3.863 ( -0.384 -0.000 -0.110) 0.400 3.876 ( -0.138 -0.000 0.195) 0.239 3.878 ( 0.956 0.000 -0.059) 0.958 4.141 ( 0.256 0.000 0.018) 0.256 4.141 ( -0.220 -0.000 -0.002) 0.220 4.446 ( -0.012 -0.000 0.899) 0.900 4.468 ( -0.035 -0.000 -0.916) 0.916 5.456 ( -0.697 -0.000 0.119) 0.707 5.459 ( 0.530 0.000 -0.146) 0.549 5.503 ( 0.636 0.000 0.017) 0.636 5.504 ( -0.399 -0.000 0.062) 0.404 5.516 ( -0.557 -0.000 -0.185) 0.587 5.517 ( 0.556 0.000 -0.113) 0.567 6.174 ( 0.139 0.000 0.523) 0.541 6.186 ( -0.389 -0.000 -0.438) 0.586 8.942 ( -0.777 -0.000 -0.028) 0.777 8.943 ( 1.675 0.000 -0.156) 1.683 8.958 ( -0.268 -0.000 0.260) 0.373 8.960 ( 0.097 0.000 -0.053) 0.111 8.971 ( 1.337 0.000 0.076) 1.339 8.972 ( -2.162 -0.000 -0.027) 2.163 8.987 ( 0.142 0.000 0.021) 0.143 8.989 ( -0.210 -0.000 -0.129) 0.247 9.492 ( -2.224 -0.000 -0.019) 2.224 9.494 ( -0.381 -0.000 -0.090) 0.392 9.497 ( -0.132 0.000 0.009) 0.132 9.497 ( 1.446 0.000 0.006) 1.446 9.515 ( 0.255 0.000 0.516) 0.575 9.528 ( 0.202 0.000 -0.764) 0.790 9.592 ( 0.313 0.000 1.935) 1.960 9.636 ( 0.698 0.000 -1.800) 1.931 9.968 ( 0.062 0.000 0.061) 0.087 9.969 ( 0.888 0.000 0.014) 0.888 9.970 ( -0.650 -0.000 -0.061) 0.653 9.970 ( -0.224 -0.000 -0.039) 0.227 10.033 ( 0.441 0.000 0.039) 0.442 10.033 ( -0.375 -0.000 -0.023) 0.376 10.079 ( -0.205 -0.000 0.030) 0.208 10.080 ( 0.191 0.000 -0.016) 0.192 10.512 ( 0.911 0.000 3.445) 3.563 10.594 ( -1.266 -0.000 -3.338) 3.570 10.662 ( 0.399 0.000 -0.008) 0.399 10.662 ( 2.249 0.000 0.012) 2.249 10.663 ( -1.091 -0.000 0.017) 1.092 10.663 ( -1.376 -0.000 -0.068) 1.378 11.422 ( 0.225 0.000 1.660) 1.675 11.459 ( -0.012 -0.000 -1.434) 1.434======================= Grid point 50 (18/44) =======================q-point: ( 0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 9.855 -6.380 13.360) 17.785 0.658 ( 3.804 -3.726 17.057) 17.869 0.901 ( 5.908 -3.579 -11.897) 13.757 0.952 ( 13.462 -13.583 -7.064) 20.387 1.170 ( 8.925 -7.731 14.839) 18.963 1.315 ( -0.062 -0.364 0.341) 0.503 1.318 ( -0.186 0.253 -0.130) 0.340 1.323 ( 0.307 0.054 0.217) 0.380 1.332 ( 0.916 -0.350 -0.387) 1.054 1.471 ( 3.984 -2.786 0.958) 4.955 1.522 ( 0.593 -0.700 0.439) 1.017 1.541 ( 3.077 -3.601 -6.532) 8.069 1.555 ( 1.003 -1.892 -1.176) 2.443 1.627 ( 5.463 -8.712 -13.681) 17.115 1.741 ( -1.192 0.810 -0.179) 1.453 1.855 ( 6.270 -6.302 -0.249) 8.893 1.875 ( 1.129 -0.656 1.703) 2.146 1.964 ( 6.077 -5.391 -2.206) 8.418 2.060 ( -1.960 2.686 0.788) 3.418 2.120 ( -0.079 -1.017 -0.601) 1.184 2.131 ( -0.006 -0.465 -0.665) 0.812 2.160 ( 0.895 -0.272 -0.464) 1.044 2.218 ( -0.465 -1.426 -0.737) 1.671 2.248 ( 3.184 0.045 0.686) 3.257 2.325 ( -0.402 -0.345 -0.935) 1.075 2.368 ( -1.240 0.457 0.663) 1.478 2.422 ( 4.706 -5.205 -0.420) 7.029 2.524 ( -0.822 -3.038 -0.738) 3.232 2.545 ( 3.339 -4.365 -0.796) 5.553 2.577 ( -4.473 3.491 0.507) 5.697 2.757 ( -2.609 2.864 -0.248) 3.882 2.816 ( -0.947 -0.166 -1.143) 1.493 2.865 ( -2.588 2.454 -0.172) 3.570 2.875 ( -1.221 3.670 -0.024) 3.868 2.940 ( -0.510 0.943 0.052) 1.073 2.971 ( 0.363 -0.876 0.313) 0.998 2.983 ( 4.187 -5.206 0.619) 6.709 2.998 ( -0.959 2.554 5.741) 6.356 3.017 ( 7.152 -5.194 0.164) 8.840 3.068 ( -2.671 2.869 3.195) 5.057 3.440 ( 4.303 -4.528 0.381) 6.258 3.448 ( 4.120 -4.457 -0.197) 6.073 3.651 ( -2.418 1.744 4.646) 5.520 3.710 ( -2.573 2.848 -0.487) 3.869 3.745 ( -2.662 3.271 0.317) 4.229 3.763 ( -1.204 1.243 -3.963) 4.324 3.803 ( 1.734 -0.549 -0.391) 1.860 3.814 ( 2.220 -1.983 -0.933) 3.119 3.845 ( -1.216 0.349 0.042) 1.266 3.859 ( -1.413 0.963 -0.113) 1.714 3.932 ( 4.180 -4.171 -0.656) 5.942 4.010 ( 6.477 -6.566 -0.587) 9.242 4.174 ( 2.764 -1.871 -0.064) 3.339 4.179 ( 3.074 -1.659 0.010) 3.493 4.406 ( -1.666 2.826 1.155) 3.478 4.442 ( -0.242 0.796 -0.223) 0.861 5.408 ( -3.387 3.305 0.224) 4.737 5.421 ( -3.095 3.373 -0.113) 4.579 5.480 ( -2.014 1.430 -0.227) 2.480 5.492 ( -1.251 0.949 0.173) 1.580 5.528 ( 0.845 -1.297 0.025) 1.549 5.569 ( 2.873 -3.436 -1.289) 4.661 6.089 ( -4.528 4.127 3.953) 7.292 6.123 ( -4.260 3.317 -1.642) 5.643 8.868 ( -5.185 5.560 0.109) 7.603 8.883 ( -4.649 4.976 -0.059) 6.810 8.937 ( -0.501 0.582 0.039) 0.769 8.956 ( -0.094 0.464 -0.034) 0.475 8.994 ( 0.980 -4.210 0.017) 4.322 9.017 ( -0.295 -4.181 0.059) 4.192 9.086 ( 7.376 -1.448 0.822) 7.562 9.185 ( 10.339 -7.411 -3.959) 13.322 9.357 ( -3.880 4.943 1.354) 6.428 9.469 ( -1.043 2.197 -0.154) 2.437 9.482 ( -2.837 -0.078 0.112) 2.840 9.511 ( -0.467 0.283 0.699) 0.888 9.524 ( -0.792 0.105 -0.971) 1.257 9.605 ( 6.015 -6.276 -2.989) 9.193 9.705 ( 6.162 -6.167 3.018) 9.225 9.781 ( 6.779 -6.638 -4.213) 10.381 9.880 ( -2.894 3.600 0.091) 4.620 9.887 ( -2.601 2.931 -0.119) 3.920 9.977 ( 0.920 -0.015 -0.404) 1.005 10.006 ( 3.071 -1.981 -1.523) 3.959 10.062 ( 0.056 -1.146 -0.019) 1.148 10.063 ( 0.766 -0.790 -0.005) 1.101 10.169 ( 4.972 -4.834 -0.077) 6.935 10.174 ( 4.858 -4.841 0.052) 6.859 10.414 ( -4.854 4.802 1.606) 7.014 10.460 ( -5.651 4.393 -2.243) 7.501 10.670 ( 1.594 0.290 0.021) 1.620 10.677 ( -0.459 -2.096 -0.010) 2.146 10.754 ( 3.596 -3.918 -0.965) 5.405 10.830 ( 6.924 -7.223 0.141) 10.007 11.251 ( -10.537 11.077 2.527) 15.496 11.428 ( -0.613 1.289 0.264) 1.451======================= Grid point 51 (19/44) =======================q-point: ( 0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 8.153 -5.612 5.527) 11.336 0.889 ( 9.330 -7.028 8.329) 14.346 1.012 ( 7.354 -2.136 -8.815) 11.677 1.187 ( 2.776 -7.115 -6.492) 10.024 1.276 ( 0.288 1.607 -0.082) 1.635 1.311 ( -0.323 0.129 -0.242) 0.424 1.327 ( 0.132 -0.133 0.455) 0.492 1.344 ( 0.610 -0.215 -0.790) 1.021 1.451 ( 7.738 -6.925 1.645) 10.514 1.535 ( 0.417 -0.929 3.098) 3.261 1.589 ( 2.577 -2.410 2.742) 4.468 1.610 ( -0.930 -0.045 -1.220) 1.535 1.615 ( 4.343 -4.202 -2.621) 6.587 1.706 ( -0.065 0.223 -0.312) 0.389 1.884 ( 8.336 -12.259 1.113) 14.866 1.914 ( 3.234 -0.418 1.109) 3.444 1.953 ( -2.452 1.988 -0.335) 3.174 2.063 ( 5.979 -5.912 2.189) 8.688 2.102 ( 4.038 -3.572 -0.701) 5.437 2.138 ( 0.386 -0.815 -0.929) 1.295 2.160 ( 1.723 -2.423 -1.583) 3.368 2.178 ( 2.680 -1.481 -1.899) 3.603 2.256 ( 0.082 -3.381 0.173) 3.386 2.291 ( 2.930 0.630 -0.155) 3.001 2.329 ( 0.888 2.067 0.665) 2.346 2.345 ( -0.779 -3.827 -1.732) 4.272 2.448 ( -2.979 0.782 -0.873) 3.202 2.473 ( -3.240 2.633 1.505) 4.438 2.555 ( 1.250 -3.193 1.957) 3.948 2.635 ( -4.399 4.894 -2.285) 6.966 2.666 ( -3.871 4.174 1.176) 5.812 2.758 ( -4.565 3.938 -0.192) 6.031 2.762 ( -3.720 5.265 -0.286) 6.453 2.892 ( -3.559 2.032 -1.323) 4.306 2.915 ( 1.251 -2.702 -0.196) 2.984 2.966 ( 2.295 -1.755 0.147) 2.892 2.999 ( 9.002 -9.471 -0.039) 13.067 3.124 ( 6.017 -6.656 2.098) 9.214 3.201 ( 8.174 -6.493 -0.028) 10.439 3.229 ( 7.373 -7.651 -0.004) 10.626 3.555 ( 1.790 -1.630 1.322) 2.758 3.570 ( 4.396 -4.302 0.300) 6.157 3.604 ( -0.981 0.240 2.469) 2.668 3.618 ( -3.083 3.983 -0.453) 5.057 3.650 ( -3.089 4.093 0.757) 5.184 3.715 ( -1.533 1.819 -3.035) 3.856 3.787 ( -0.694 2.984 -0.253) 3.074 3.812 ( -1.555 2.068 0.325) 2.608 3.842 ( -0.064 -1.793 -0.639) 1.904 3.883 ( 1.367 -2.292 -0.835) 2.796 4.032 ( 2.175 -1.640 0.043) 2.724 4.111 ( 0.550 1.137 0.263) 1.290 4.248 ( 3.695 -2.876 0.131) 4.684 4.258 ( 3.699 -2.728 0.037) 4.596 4.420 ( 4.002 -3.813 0.667) 5.568 4.468 ( 3.661 -2.741 -0.695) 4.626 5.277 ( -5.647 6.317 0.289) 8.478 5.292 ( -5.775 5.960 -0.299) 8.304 5.423 ( -2.587 1.859 0.070) 3.187 5.452 ( -2.021 1.305 -0.002) 2.406 5.578 ( 2.068 -2.729 0.336) 3.440 5.643 ( 1.965 -2.688 -0.359) 3.349 5.981 ( -4.593 3.992 1.454) 6.257 6.007 ( -4.266 3.201 -0.704) 5.380 8.711 ( -5.240 5.516 0.237) 7.612 8.742 ( -4.714 4.997 -0.200) 6.872 8.923 ( -0.146 0.723 -0.030) 0.738 8.946 ( -0.043 0.781 0.027) 0.783 9.065 ( -3.773 -5.630 -0.061) 6.777 9.080 ( -1.211 -7.308 0.063) 7.408 9.145 ( 6.309 4.052 -0.257) 7.503 9.190 ( -1.363 7.225 0.920) 7.409 9.413 ( -2.147 2.242 0.104) 3.106 9.428 ( -3.327 1.204 -0.157) 3.542 9.464 ( 4.903 -3.570 -0.076) 6.065 9.499 ( -0.731 0.893 -0.539) 1.273 9.529 ( 5.913 -4.336 1.037) 7.405 9.775 ( 6.039 -5.921 -5.574) 10.129 9.819 ( -0.978 0.457 -0.172) 1.094 9.827 ( -0.653 -1.451 1.650) 2.293 9.866 ( 2.861 -0.235 1.716) 3.345 9.938 ( 4.065 -4.808 0.612) 6.326 9.995 ( 3.076 -0.493 -0.256) 3.125 10.072 ( 2.784 1.371 -0.088) 3.105 10.085 ( -0.049 -1.643 0.031) 1.644 10.098 ( 1.848 -5.085 -0.477) 5.432 10.275 ( -0.656 1.747 -0.016) 1.866 10.289 ( 3.657 -3.011 -0.054) 4.738 10.307 ( -0.324 -0.858 0.415) 1.007 10.338 ( -4.052 2.364 -1.706) 4.992 10.693 ( 1.374 -0.493 0.081) 1.462 10.702 ( -0.202 -1.974 -0.056) 1.985 10.816 ( 1.026 -1.176 -0.201) 1.574 10.968 ( -5.326 6.502 -1.116) 8.478 11.014 ( 2.166 -2.925 2.366) 4.341 11.386 ( -1.424 2.542 -0.372) 2.938======================= Grid point 52 (20/44) =======================q-point: ( 0.43 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 10.113 -6.809 -0.359) 12.197 1.067 ( 3.376 0.441 3.794) 5.098 1.107 ( 4.024 -4.717 -4.069) 7.416 1.247 ( 1.377 1.024 0.872) 1.925 1.283 ( -0.020 -2.778 -2.633) 3.828 1.307 ( -0.026 -0.855 0.091) 0.860 1.337 ( -1.597 -1.157 -0.437) 2.020 1.340 ( 0.433 0.380 -2.029) 2.110 1.474 ( -4.597 5.196 -0.949) 7.002 1.503 ( -2.312 1.282 1.315) 2.952 1.616 ( 0.503 -0.628 0.812) 1.143 1.642 ( -0.743 0.736 0.849) 1.347 1.692 ( 6.084 -5.174 -0.679) 8.016 1.792 ( 0.354 0.728 0.885) 1.200 1.849 ( 1.616 -0.858 -1.029) 2.099 1.953 ( -1.711 0.075 -0.377) 1.753 2.110 ( 1.797 -2.636 0.966) 3.333 2.141 ( -0.156 -1.317 0.246) 1.348 2.194 ( 3.997 -3.783 1.293) 5.654 2.207 ( 2.479 -1.514 -2.007) 3.530 2.232 ( 2.003 -1.999 3.480) 4.486 2.264 ( -1.488 -3.388 1.002) 3.834 2.272 ( 3.608 -3.929 1.736) 5.610 2.326 ( 1.821 2.160 -0.535) 2.876 2.342 ( 2.969 0.613 0.326) 3.049 2.394 ( 0.129 0.860 1.041) 1.357 2.406 ( -3.212 0.035 -0.051) 3.213 2.425 ( 0.804 0.516 -0.805) 1.250 2.485 ( -2.957 0.338 0.394) 3.002 2.529 ( -5.635 5.383 1.985) 8.042 2.599 ( 3.057 -1.570 -2.065) 4.009 2.661 ( -2.710 1.704 -0.380) 3.224 2.667 ( -1.753 1.579 -0.100) 2.361 2.795 ( -4.779 3.934 -4.248) 7.507 2.930 ( 0.128 -0.702 0.163) 0.732 2.960 ( -0.233 0.830 -0.399) 0.950 3.319 ( 7.216 -8.532 2.331) 11.415 3.342 ( 4.911 -5.177 -0.447) 7.149 3.385 ( 5.962 -6.995 -0.706) 9.218 3.396 ( 6.119 -7.183 -1.036) 9.493 3.496 ( -3.670 4.414 2.635) 6.316 3.538 ( -1.083 2.233 0.119) 2.485 3.574 ( -1.040 2.143 -0.146) 2.386 3.618 ( -2.801 4.135 -1.828) 5.318 3.659 ( 1.378 -1.975 0.102) 2.410 3.677 ( 0.996 -0.675 0.397) 1.267 3.743 ( -0.477 1.273 -0.341) 1.402 3.759 ( -1.930 1.649 0.345) 2.562 3.864 ( 0.601 -1.060 -0.642) 1.378 3.905 ( -0.607 -0.090 -0.856) 1.053 4.007 ( -1.699 2.688 -0.857) 3.293 4.078 ( -0.504 1.403 1.537) 2.141 4.328 ( 1.801 -1.466 0.157) 2.327 4.332 ( 1.986 -1.664 0.087) 2.593 4.556 ( 4.115 -4.153 -0.273) 5.853 4.601 ( 4.912 -4.662 0.146) 6.774 5.114 ( -4.496 5.037 0.184) 6.754 5.134 ( -4.377 4.397 -0.269) 6.210 5.375 ( -1.143 0.994 0.237) 1.533 5.414 ( -1.140 0.631 -0.190) 1.317 5.647 ( 2.177 -2.331 0.550) 3.237 5.688 ( 0.425 -0.799 0.169) 0.921 5.875 ( -2.975 2.531 -1.027) 4.039 5.933 ( -1.736 1.284 0.953) 2.360 8.605 ( -2.017 2.156 0.334) 2.971 8.643 ( -2.003 2.030 -0.326) 2.870 8.914 ( -0.023 0.306 -0.077) 0.316 8.937 ( -0.002 0.366 0.048) 0.370 9.063 ( -2.417 -1.394 -1.093) 2.997 9.078 ( -2.982 0.653 1.293) 3.316 9.167 ( 1.462 -1.760 -0.033) 2.289 9.180 ( 3.455 2.017 0.009) 4.001 9.367 ( -0.879 1.051 0.265) 1.395 9.378 ( -1.496 0.632 -0.303) 1.652 9.478 ( -0.396 0.188 -0.095) 0.448 9.485 ( 0.031 0.147 0.057) 0.160 9.733 ( 5.966 -5.859 1.043) 8.427 9.811 ( 0.025 0.433 -0.413) 0.599 9.818 ( 0.980 2.753 0.987) 3.084 9.854 ( -2.550 -1.608 -0.504) 3.057 9.915 ( 2.985 -1.824 -2.197) 4.131 9.989 ( 1.708 -0.604 -1.910) 2.632 10.082 ( 0.786 0.295 0.005) 0.839 10.098 ( 2.512 1.468 0.108) 2.911 10.107 ( 0.525 -5.775 2.375) 6.267 10.160 ( -1.396 1.033 0.091) 1.739 10.206 ( 1.040 -0.841 1.480) 1.995 10.249 ( -2.912 2.265 -0.880) 3.793 10.359 ( 1.297 -1.241 0.207) 1.807 10.366 ( 1.236 -1.349 -0.203) 1.840 10.714 ( 0.502 -0.393 0.157) 0.657 10.719 ( -0.376 -0.972 -0.020) 1.042 10.795 ( -3.730 4.889 -0.584) 6.177 10.833 ( 0.560 -0.756 -1.074) 1.428 11.115 ( 2.032 -2.492 1.133) 3.409 11.334 ( -0.909 1.720 -0.433) 1.993======================= Grid point 53 (21/44) =======================q-point: (-0.43 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( -5.950 6.741 3.020) 9.485 1.080 ( -12.306 8.021 -1.253) 14.742 1.178 ( -0.816 -2.405 -3.988) 4.728 1.243 ( 2.636 -0.301 0.587) 2.717 1.300 ( 1.251 -0.106 -1.143) 1.698 1.311 ( -0.852 1.049 -0.515) 1.446 1.314 ( -0.727 -1.068 -1.538) 2.009 1.354 ( 3.851 -0.402 -2.103) 4.406 1.451 ( 1.994 -3.721 1.664) 4.537 1.524 ( 1.926 -2.653 -0.548) 3.324 1.606 ( -1.164 1.077 1.413) 2.124 1.641 ( -0.012 -0.517 0.652) 0.832 1.662 ( -5.850 6.303 0.756) 8.633 1.824 ( 3.237 -2.394 -0.565) 4.065 1.856 ( -4.774 3.129 -1.910) 6.019 1.929 ( 1.221 0.654 1.548) 2.078 2.090 ( -7.060 8.274 4.619) 11.817 2.130 ( -0.840 0.090 0.430) 0.948 2.149 ( -1.235 1.803 0.434) 2.228 2.202 ( -2.869 2.366 -0.312) 3.731 2.235 ( -3.641 3.882 2.317) 5.805 2.266 ( 1.853 2.165 -0.211) 2.858 2.298 ( -1.675 -1.629 1.083) 2.575 2.332 ( 2.869 1.110 -0.860) 3.194 2.367 ( -5.027 -0.181 -0.250) 5.036 2.389 ( 0.949 -0.435 1.240) 1.621 2.420 ( 3.124 -0.336 -0.000) 3.142 2.438 ( 1.554 -1.418 1.649) 2.673 2.448 ( 2.588 -3.888 -2.165) 5.148 2.576 ( -1.369 0.317 -2.519) 2.885 2.643 ( 2.203 -2.466 1.415) 3.597 2.658 ( 2.572 -2.270 -0.290) 3.443 2.690 ( 1.011 -0.606 -0.304) 1.217 2.725 ( 4.996 -4.621 -4.401) 8.104 2.943 ( -0.133 0.335 -0.674) 0.764 2.945 ( 0.076 -0.486 0.582) 0.762 3.309 ( -7.742 8.840 2.081) 11.934 3.361 ( -3.732 4.641 0.199) 5.959 3.375 ( -4.755 6.492 -0.491) 8.062 3.386 ( -6.401 6.788 -0.926) 9.377 3.517 ( 2.045 -2.272 1.520) 3.414 3.541 ( 0.984 -1.491 0.065) 1.788 3.581 ( 1.871 -2.719 -0.322) 3.316 3.613 ( 4.223 -5.286 -2.211) 7.118 3.658 ( -1.428 1.795 0.258) 2.308 3.677 ( -2.060 0.887 0.499) 2.298 3.739 ( 1.086 -0.987 -0.104) 1.471 3.761 ( 1.444 -1.709 0.182) 2.244 3.867 ( -1.002 0.910 -1.069) 1.725 3.892 ( -0.165 0.004 0.079) 0.183 3.990 ( 1.450 -1.764 0.407) 2.319 4.087 ( 0.844 -1.202 0.760) 1.654 4.328 ( -1.814 1.396 0.217) 2.299 4.333 ( -2.127 1.449 -0.045) 2.575 4.552 ( -4.471 4.356 -0.023) 6.242 4.604 ( -4.602 4.612 -0.019) 6.516 5.112 ( 4.390 -4.795 0.259) 6.506 5.136 ( 4.457 -4.710 -0.334) 6.493 5.377 ( 1.621 -0.722 0.133) 1.780 5.413 ( 0.922 -0.812 -0.153) 1.238 5.658 ( -2.288 2.443 -0.160) 3.351 5.681 ( -0.148 0.469 0.652) 0.817 5.859 ( 2.003 -1.304 0.054) 2.391 5.946 ( 2.305 -2.261 0.104) 3.230 8.607 ( 2.169 -2.198 0.239) 3.097 8.641 ( 1.855 -2.031 -0.251) 2.762 8.914 ( 0.020 -0.303 -0.062) 0.310 8.937 ( 0.018 -0.373 0.032) 0.375 9.044 ( 1.972 1.628 0.415) 2.591 9.096 ( 3.371 -0.849 -0.214) 3.483 9.167 ( -1.654 1.459 -0.063) 2.207 9.180 ( -3.246 -1.717 0.056) 3.673 9.369 ( 1.294 -0.867 0.263) 1.580 9.376 ( 1.158 -0.788 -0.310) 1.435 9.476 ( 0.139 -0.282 -0.002) 0.314 9.490 ( 0.400 -0.341 -0.211) 0.567 9.711 ( -6.664 5.888 1.943) 9.102 9.802 ( -0.349 -0.681 0.449) 0.887 9.830 ( -0.293 0.604 -1.102) 1.291 9.852 ( 0.173 0.523 0.679) 0.874 9.914 ( -1.758 1.346 -1.066) 2.458 10.005 ( -0.824 -1.245 -3.429) 3.740 10.081 ( -0.807 -0.371 -0.052) 0.890 10.099 ( -0.234 0.122 -0.030) 0.265 10.125 ( -0.871 4.284 1.073) 4.501 10.165 ( -0.246 -0.157 -0.130) 0.320 10.206 ( 2.544 -2.695 2.029) 4.225 10.251 ( 1.052 -0.460 -1.156) 1.629 10.361 ( -1.227 1.245 0.196) 1.759 10.366 ( -1.203 1.363 -0.223) 1.832 10.713 ( -0.063 0.870 0.268) 0.912 10.718 ( -0.861 -0.218 0.242) 0.920 10.740 ( 0.386 0.148 1.044) 1.123 10.869 ( 2.183 -2.595 -1.929) 3.902 11.121 ( -1.867 2.030 0.782) 2.867 11.333 ( 1.068 -1.577 -0.414) 1.949======================= Grid point 54 (22/44) =======================q-point: (-0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( -14.368 6.124 6.376) 16.870 0.791 ( -8.410 11.367 7.048) 15.799 1.118 ( -5.864 1.635 -7.740) 9.847 1.248 ( 0.222 3.948 -6.165) 7.324 1.291 ( -2.452 -0.627 2.440) 3.515 1.305 ( -0.285 -0.517 -2.754) 2.816 1.313 ( -0.320 -0.468 -0.403) 0.696 1.355 ( -0.430 1.596 -2.121) 2.689 1.428 ( -10.445 10.856 3.142) 15.389 1.523 ( -4.303 1.346 2.561) 5.185 1.559 ( 2.415 -1.522 1.331) 3.150 1.584 ( 0.123 2.140 0.333) 2.169 1.643 ( -1.770 1.463 -1.151) 2.569 1.731 ( -1.212 1.771 -2.048) 2.966 1.837 ( -4.341 8.102 5.594) 10.760 1.885 ( -0.942 1.246 1.957) 2.504 1.956 ( 0.132 -2.241 -1.588) 2.749 2.066 ( -6.229 6.031 0.410) 8.680 2.122 ( -0.501 0.272 0.072) 0.574 2.131 ( -2.549 0.740 -0.961) 2.823 2.156 ( -0.839 0.712 0.706) 1.307 2.244 ( -0.428 5.077 -1.369) 5.275 2.286 ( -3.332 1.696 -2.216) 4.347 2.306 ( -3.452 2.999 -6.790) 8.187 2.339 ( 0.269 -0.521 0.422) 0.723 2.340 ( -0.436 0.396 -0.707) 0.921 2.443 ( 3.421 -0.962 -0.329) 3.569 2.482 ( 3.748 0.083 1.344) 3.982 2.507 ( -1.373 -0.092 2.827) 3.144 2.615 ( 4.179 -4.674 0.884) 6.332 2.717 ( 0.527 -0.065 -1.520) 1.610 2.756 ( 4.273 -4.003 -0.686) 5.895 2.767 ( 3.768 -5.093 -0.131) 6.337 2.850 ( 3.738 -3.688 0.588) 5.284 2.928 ( -0.839 1.946 -0.619) 2.208 2.953 ( -2.337 1.828 0.875) 3.094 2.995 ( -8.737 9.596 0.433) 12.985 3.126 ( -5.791 8.196 1.776) 10.192 3.201 ( -8.206 6.594 0.032) 10.527 3.230 ( -7.535 7.082 -0.133) 10.341 3.548 ( -2.051 2.739 1.434) 3.710 3.572 ( -2.876 4.563 0.022) 5.394 3.606 ( 2.279 -3.001 0.008) 3.768 3.627 ( -0.524 -1.465 2.920) 3.309 3.665 ( 2.734 -3.852 -0.131) 4.726 3.708 ( 2.839 -2.776 -3.812) 5.504 3.788 ( 1.431 -2.472 -0.317) 2.874 3.811 ( 1.134 -2.412 0.376) 2.691 3.834 ( -0.690 1.564 -0.301) 1.736 3.868 ( -1.058 1.982 0.152) 2.252 4.042 ( -1.317 0.235 -0.924) 1.626 4.092 ( -0.765 0.517 1.722) 1.954 4.252 ( -3.845 2.773 -0.099) 4.741 4.259 ( -3.831 2.544 -0.002) 4.599 4.422 ( -3.495 2.929 0.707) 4.614 4.463 ( -4.066 3.697 -0.575) 5.526 5.277 ( 5.914 -6.408 0.291) 8.725 5.294 ( 5.479 -6.110 -0.383) 8.216 5.427 ( 3.033 -1.435 -0.135) 3.358 5.452 ( 1.974 -1.511 0.004) 2.486 5.588 ( -2.206 2.747 -0.212) 3.530 5.641 ( -1.982 2.539 -0.309) 3.235 5.941 ( 4.267 -3.044 2.405) 5.767 6.037 ( 4.208 -3.847 -0.970) 5.784 8.715 ( 5.204 -5.428 0.049) 7.520 8.739 ( 4.702 -5.101 -0.042) 6.937 8.923 ( 0.188 -0.746 -0.022) 0.769 8.946 ( 0.046 -0.786 -0.006) 0.787 9.057 ( 4.459 4.918 0.409) 6.651 9.081 ( 0.532 7.040 0.022) 7.060 9.140 ( -6.642 -3.874 0.053) 7.690 9.206 ( 1.843 -6.741 0.038) 6.989 9.417 ( 2.130 -2.103 -0.128) 2.996 9.424 ( 3.521 -1.104 0.053) 3.690 9.466 ( -6.062 4.301 -0.517) 7.451 9.496 ( -0.569 -0.435 0.278) 0.768 9.525 ( -3.080 2.333 1.010) 3.993 9.726 ( -5.633 5.898 -1.547) 8.301 9.816 ( 1.731 0.526 0.098) 1.811 9.843 ( 0.220 -0.504 0.060) 0.553 9.870 ( -4.087 1.279 1.050) 4.409 9.978 ( -5.116 5.576 -0.991) 7.632 9.995 ( -2.360 -0.137 -0.359) 2.391 10.074 ( 0.107 0.981 -0.038) 0.987 10.086 ( -0.163 1.406 -0.034) 1.416 10.156 ( -2.605 2.619 -5.094) 6.293 10.281 ( -0.898 0.256 -0.014) 0.934 10.289 ( -2.795 1.811 -0.187) 3.336 10.301 ( 1.756 -0.810 0.830) 2.105 10.328 ( 3.366 -1.848 -1.410) 4.090 10.694 ( -1.174 0.651 0.084) 1.346 10.700 ( 0.118 1.925 0.033) 1.929 10.772 ( 0.300 -0.978 2.704) 2.891 10.963 ( 2.828 -4.066 -0.165) 4.955 11.041 ( -1.485 2.297 0.104) 2.737 11.381 ( 1.390 -2.329 -0.134) 2.715======================= Grid point 55 (23/44) =======================q-point: (-0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( -6.245 11.507 13.680) 18.936 0.569 ( -10.087 2.187 17.096) 19.971 0.956 ( -13.581 6.126 -1.737) 14.999 1.005 ( -10.119 10.327 0.825) 14.482 1.087 ( -7.370 11.741 -0.613) 13.876 1.312 ( 0.407 -0.358 -0.362) 0.652 1.318 ( -0.119 -0.760 -0.173) 0.788 1.323 ( -0.145 0.180 0.235) 0.330 1.333 ( -0.927 0.733 -0.080) 1.184 1.450 ( -1.674 2.594 1.374) 3.379 1.515 ( -2.136 2.713 -4.280) 5.499 1.563 ( -1.865 1.891 -0.867) 2.794 1.579 ( -2.294 1.274 -1.134) 2.858 1.714 ( -0.316 4.880 -11.934) 12.897 1.744 ( 0.594 -1.091 -0.650) 1.401 1.857 ( -3.040 1.723 1.808) 3.934 1.864 ( -5.072 4.469 -0.074) 6.760 1.971 ( -5.229 4.213 -4.507) 8.087 2.085 ( 0.217 -1.071 -0.782) 1.344 2.113 ( -0.224 0.315 0.210) 0.440 2.147 ( -1.395 0.457 -2.369) 2.787 2.153 ( 0.147 -0.889 -0.503) 1.032 2.228 ( -1.703 0.325 -1.046) 2.025 2.253 ( -0.974 3.433 0.220) 3.575 2.327 ( -0.102 0.753 -1.074) 1.316 2.369 ( 1.308 -0.590 0.568) 1.543 2.404 ( -4.409 4.294 0.783) 6.204 2.525 ( 0.887 2.603 -1.069) 2.951 2.546 ( -3.440 5.142 -1.132) 6.290 2.579 ( 4.803 -2.856 0.610) 5.621 2.738 ( 3.050 -3.942 0.595) 5.019 2.798 ( 0.798 -0.664 0.819) 1.322 2.860 ( 3.201 -1.970 -0.518) 3.795 2.878 ( 1.714 -2.153 0.309) 2.769 2.931 ( 1.131 0.024 2.349) 2.607 2.967 ( 0.781 0.135 3.680) 3.764 2.969 ( -0.986 0.849 0.483) 1.389 2.992 ( -5.902 3.281 1.578) 6.934 3.016 ( -7.114 5.804 0.142) 9.183 3.080 ( 2.066 -4.118 3.677) 5.895 3.437 ( -4.272 4.263 0.500) 6.055 3.451 ( -3.821 4.990 -0.341) 6.294 3.655 ( 0.581 -1.230 3.945) 4.173 3.706 ( 2.599 -3.468 0.258) 4.341 3.752 ( 2.638 -2.587 -0.131) 3.697 3.765 ( 2.151 -1.905 -4.193) 5.082 3.799 ( -1.240 0.193 0.123) 1.261 3.808 ( -1.678 1.909 -0.694) 2.635 3.849 ( 1.152 -0.583 -0.306) 1.327 3.854 ( 1.385 -1.310 0.341) 1.936 3.934 ( -4.278 4.562 -0.866) 6.313 4.018 ( -5.803 5.901 -1.380) 8.391 4.174 ( -2.781 1.858 -0.071) 3.345 4.178 ( -3.021 1.752 0.056) 3.492 4.415 ( 1.726 -2.331 0.877) 3.030 4.427 ( 0.076 -1.163 0.552) 1.290 5.414 ( 3.324 -3.693 0.134) 4.970 5.419 ( 2.868 -3.376 -0.289) 4.439 5.484 ( 2.506 -0.927 -0.337) 2.693 5.494 ( 1.447 -0.917 -0.027) 1.714 5.530 ( -1.359 1.824 -0.134) 2.278 5.566 ( -2.863 2.985 -1.353) 4.352 6.062 ( 5.199 -4.328 4.341) 8.037 6.140 ( 3.386 -3.170 -1.054) 4.757 8.869 ( 5.002 -5.479 0.036) 7.419 8.882 ( 4.724 -5.032 0.034) 6.902 8.938 ( 0.441 -0.714 -0.020) 0.840 8.957 ( 0.169 -0.414 -0.072) 0.453 8.993 ( -0.990 4.195 0.047) 4.310 9.018 ( 0.329 4.160 0.006) 4.173 9.085 ( -7.247 1.374 0.796) 7.419 9.199 ( -9.204 6.434 -4.904) 12.254 9.373 ( 4.341 -5.252 0.561) 6.837 9.469 ( 0.513 -2.379 -0.199) 2.442 9.482 ( 2.897 -0.040 0.117) 2.900 9.509 ( 0.345 -0.405 0.400) 0.665 9.529 ( 0.097 0.416 -0.841) 0.943 9.560 ( -4.371 4.492 -0.386) 6.279 9.714 ( -6.605 7.467 2.075) 10.183 9.819 ( -7.076 6.737 -6.039) 11.486 9.880 ( 2.661 -3.862 0.102) 4.692 9.886 ( 3.197 -2.423 -0.083) 4.012 9.974 ( -0.984 0.172 -0.131) 1.008 10.033 ( -4.492 3.810 -4.980) 7.713 10.060 ( -0.061 1.229 0.039) 1.231 10.064 ( -0.811 0.660 -0.043) 1.046 10.169 ( -4.955 4.836 -0.055) 6.924 10.174 ( -4.881 4.814 0.046) 6.856 10.408 ( 4.630 -3.719 1.464) 6.117 10.460 ( 5.972 -5.805 -1.786) 8.518 10.671 ( -1.434 -0.094 -0.025) 1.438 10.675 ( 0.598 2.180 0.081) 2.262 10.745 ( -3.191 2.684 -0.027) 4.170 10.847 ( -7.284 7.311 -1.615) 10.446 11.237 ( 10.427 -10.794 4.160) 15.574 11.421 ( 0.711 -1.223 0.795) 1.623======================= Grid point 57 (24/44) =======================q-point: ( 0.14 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 8.973 0.000 14.708) 17.230 0.921 ( 12.070 0.000 6.682) 13.796 0.937 ( 14.483 0.000 -11.536) 18.516 1.046 ( 18.149 0.000 -7.535) 19.651 1.300 ( -0.412 -0.000 0.209) 0.462 1.327 ( 0.160 0.000 0.176) 0.238 1.329 ( 0.197 0.000 0.080) 0.213 1.330 ( 0.386 0.000 0.001) 0.386 1.390 ( 16.484 0.000 13.702) 21.435 1.502 ( 1.451 0.000 -3.403) 3.699 1.538 ( 4.922 0.000 1.415) 5.121 1.541 ( 3.033 0.000 -2.475) 3.915 1.594 ( 5.421 0.000 1.933) 5.755 1.602 ( 7.980 0.000 -9.647) 12.519 1.834 ( 4.592 0.000 0.773) 4.657 1.842 ( 6.014 0.000 -1.111) 6.116 1.975 ( 5.719 0.000 0.436) 5.736 1.980 ( 7.069 0.000 -3.481) 7.880 2.081 ( -1.165 -0.000 1.487) 1.889 2.085 ( -0.634 -0.000 0.487) 0.800 2.134 ( -0.342 -0.000 -2.827) 2.848 2.179 ( 1.910 0.000 1.466) 2.408 2.205 ( 0.786 0.000 0.809) 1.128 2.271 ( 0.780 0.000 -1.439) 1.637 2.374 ( 5.759 0.000 -1.136) 5.870 2.394 ( -4.366 -0.000 -0.243) 4.373 2.448 ( 1.440 0.000 -0.434) 1.504 2.476 ( 5.865 0.000 -0.143) 5.867 2.496 ( -6.826 -0.000 0.715) 6.863 2.551 ( 7.524 0.000 -0.768) 7.563 2.767 ( -2.937 -0.000 -1.061) 3.123 2.806 ( -1.475 -0.000 0.417) 1.533 2.849 ( -2.961 -0.000 -0.973) 3.117 2.853 ( -6.041 -0.000 -0.492) 6.061 2.932 ( -0.040 -0.000 0.057) 0.069 2.960 ( -1.283 -0.000 1.535) 2.000 2.968 ( -0.050 -0.000 -0.164) 0.172 2.992 ( -2.578 -0.000 4.397) 5.097 3.094 ( 8.343 0.000 0.462) 8.356 3.115 ( 9.377 0.000 0.348) 9.383 3.490 ( 6.888 0.000 -0.038) 6.888 3.516 ( 8.083 0.000 -0.246) 8.086 3.634 ( -3.174 -0.000 5.093) 6.001 3.733 ( -2.646 -0.000 -2.203) 3.443 3.753 ( -0.230 -0.000 1.231) 1.252 3.756 ( -1.727 -0.000 -1.616) 2.366 3.772 ( -0.365 -0.000 -1.288) 1.339 3.780 ( -0.763 -0.000 -0.652) 1.003 3.880 ( 1.731 0.000 0.644) 1.847 3.909 ( 2.291 0.000 -0.383) 2.323 3.969 ( 5.327 0.000 1.989) 5.686 3.993 ( 4.741 0.000 -3.006) 5.614 4.217 ( 5.102 0.000 -0.064) 5.102 4.227 ( 4.732 0.000 -0.043) 4.733 4.408 ( -1.815 -0.000 0.822) 1.992 4.422 ( -0.989 -0.000 -0.189) 1.007 5.369 ( -5.809 -0.000 0.506) 5.831 5.379 ( -6.534 -0.000 -0.195) 6.537 5.483 ( -0.790 -0.000 -0.418) 0.894 5.507 ( -0.773 -0.000 0.114) 0.781 5.518 ( -0.290 -0.000 1.115) 1.152 5.533 ( 0.382 0.000 -1.824) 1.864 6.039 ( -6.843 -0.000 3.865) 7.859 6.056 ( -7.333 -0.000 -2.351) 7.701 8.861 ( -5.306 -0.000 0.470) 5.327 8.866 ( -5.356 -0.000 -0.131) 5.357 8.877 ( -4.928 -0.000 -0.170) 4.931 8.888 ( -4.576 -0.000 -0.047) 4.576 8.962 ( -0.721 -0.000 -0.287) 0.777 8.963 ( -1.097 -0.000 0.275) 1.130 9.261 ( 11.234 0.000 0.814) 11.264 9.297 ( 8.863 0.000 -1.610) 9.008 9.406 ( 1.035 0.000 1.983) 2.237 9.424 ( -0.602 -0.000 0.766) 0.974 9.498 ( -0.719 -0.000 -0.015) 0.719 9.510 ( 1.057 0.000 0.016) 1.057 9.572 ( 2.572 0.000 -0.399) 2.603 9.572 ( 4.035 0.000 -3.763) 5.517 9.749 ( 4.617 0.000 2.005) 5.033 9.769 ( 1.046 0.000 -0.237) 1.073 9.881 ( -3.811 -0.000 -0.072) 3.811 9.887 ( -3.138 -0.000 0.114) 3.140 9.944 ( 2.445 0.000 2.771) 3.695 9.979 ( 5.841 0.000 -7.184) 9.259 10.176 ( 7.025 0.000 0.084) 7.026 10.181 ( 7.185 0.000 -0.114) 7.186 10.186 ( 5.393 0.000 -0.048) 5.394 10.191 ( 5.303 0.000 0.060) 5.303 10.358 ( -6.913 -0.000 1.092) 6.999 10.372 ( -7.713 -0.000 -1.887) 7.940 10.676 ( 1.470 0.000 -0.866) 1.706 10.717 ( 2.099 0.000 0.458) 2.149 10.823 ( 6.171 0.000 0.324) 6.179 10.849 ( 5.722 0.000 -0.042) 5.722 11.263 ( -8.686 -0.000 1.902) 8.892 11.292 ( -7.953 -0.000 -0.309) 7.959======================= Grid point 58 (25/44) =======================q-point: ( 0.29 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 10.859 -1.598 5.157) 12.127 1.033 ( 5.958 -4.892 -4.111) 8.737 1.124 ( 17.849 6.501 -0.015) 18.996 1.278 ( 3.187 0.212 0.235) 3.203 1.295 ( 6.612 2.693 -3.704) 8.043 1.318 ( 0.932 0.719 0.099) 1.181 1.329 ( 0.279 0.212 0.541) 0.645 1.353 ( 2.140 0.356 -0.892) 2.346 1.487 ( 5.416 -0.923 0.953) 5.576 1.585 ( 5.475 0.429 -0.270) 5.498 1.592 ( 3.388 -1.357 2.544) 4.449 1.621 ( 1.755 -0.698 -1.831) 2.631 1.674 ( 8.035 1.065 0.447) 8.117 1.803 ( 5.977 4.689 -0.865) 7.646 1.844 ( 9.034 -7.756 2.673) 12.203 1.964 ( -0.587 2.669 -1.497) 3.116 2.009 ( 6.246 1.977 0.470) 6.569 2.068 ( 4.780 -4.562 0.849) 6.662 2.106 ( 3.774 -3.629 1.278) 5.390 2.133 ( 1.208 -3.314 0.210) 3.534 2.163 ( 1.968 -0.160 -2.706) 3.350 2.189 ( 2.855 -0.486 1.441) 3.234 2.220 ( -1.429 -0.568 1.543) 2.178 2.280 ( -1.173 -1.644 -2.798) 3.450 2.337 ( 0.477 -1.683 -0.688) 1.880 2.389 ( -3.824 -0.394 0.051) 3.844 2.430 ( 2.550 2.771 -1.008) 3.898 2.489 ( 5.415 4.389 -0.225) 6.974 2.541 ( 2.123 -2.037 2.350) 3.766 2.652 ( -1.741 3.559 -0.475) 3.990 2.686 ( -4.810 3.981 0.568) 6.270 2.721 ( -6.953 1.970 -0.851) 7.276 2.761 ( -3.130 2.796 0.007) 4.197 2.869 ( -3.384 3.831 -0.249) 5.118 2.921 ( 5.680 -3.189 0.050) 6.514 2.966 ( 5.282 -4.954 -0.477) 7.258 3.001 ( 4.501 -2.109 -0.079) 4.971 3.092 ( 5.440 -9.485 1.035) 10.983 3.239 ( 6.717 -4.756 0.022) 8.230 3.260 ( 7.469 -2.429 -0.186) 7.857 3.576 ( 0.057 0.838 1.610) 1.816 3.604 ( 2.187 -0.563 2.418) 3.309 3.623 ( 5.087 -0.578 -1.265) 5.273 3.665 ( -0.589 5.461 -0.166) 5.495 3.681 ( -1.549 4.393 -0.180) 4.662 3.701 ( -1.035 1.324 -1.039) 1.976 3.800 ( -0.713 -3.202 -0.522) 3.322 3.835 ( -0.149 -4.133 -0.752) 4.204 3.860 ( 2.036 4.873 0.261) 5.288 3.882 ( 1.659 5.728 0.032) 5.964 4.043 ( 3.163 -1.154 0.275) 3.378 4.112 ( 1.946 -2.148 -0.728) 2.988 4.288 ( 4.567 -0.220 0.378) 4.587 4.297 ( 5.151 -0.656 0.046) 5.193 4.417 ( 2.950 -3.271 0.443) 4.427 4.456 ( 2.527 -4.413 -0.625) 5.123 5.247 ( -8.635 3.219 -0.177) 9.217 5.253 ( -8.446 2.989 0.331) 8.965 5.433 ( -1.226 3.217 -0.439) 3.471 5.460 ( -1.180 2.854 0.322) 3.105 5.549 ( 0.525 -4.042 0.414) 4.097 5.590 ( -0.632 -5.384 -0.282) 5.428 5.932 ( -7.642 1.327 -1.349) 7.873 5.952 ( -6.726 0.024 1.772) 6.956 8.714 ( -5.200 5.304 0.256) 7.432 8.743 ( -4.902 4.808 -0.183) 6.869 8.854 ( -4.876 -4.297 -0.024) 6.499 8.878 ( -4.802 -4.318 0.050) 6.458 8.964 ( -2.375 -3.042 -0.040) 3.860 8.971 ( -1.797 -2.860 0.014) 3.378 9.297 ( 5.219 4.914 -0.274) 7.173 9.326 ( 1.801 6.932 0.791) 7.206 9.420 ( -0.241 -1.383 -0.031) 1.404 9.428 ( -1.444 0.775 -0.068) 1.640 9.508 ( 1.309 4.175 0.109) 4.377 9.524 ( 2.422 4.338 -0.117) 4.969 9.580 ( 8.214 -3.580 1.247) 9.047 9.703 ( 0.525 -7.342 -2.398) 7.741 9.781 ( 0.603 -3.120 -0.557) 3.227 9.839 ( -2.985 -1.778 0.041) 3.474 9.859 ( 0.516 -3.737 -0.047) 3.773 9.877 ( 1.397 -3.563 0.836) 3.917 9.983 ( 3.850 2.510 1.604) 4.868 10.090 ( 5.737 -3.327 -1.399) 6.777 10.196 ( 3.109 4.066 -0.204) 5.122 10.212 ( 5.055 3.980 -0.414) 6.447 10.261 ( -3.762 1.405 0.459) 4.042 10.283 ( -2.440 -0.180 -0.948) 2.624 10.316 ( 5.523 -1.751 0.300) 5.801 10.318 ( 5.522 -1.818 -0.305) 5.821 10.693 ( 0.725 -0.306 -1.062) 1.321 10.738 ( 1.626 0.508 0.775) 1.872 10.842 ( 2.554 2.936 0.366) 3.908 10.975 ( 1.336 -2.731 -0.096) 3.042 11.033 ( -3.479 7.595 0.703) 8.384 11.294 ( -6.315 -6.319 -0.425) 8.943======================= Grid point 59 (26/44) =======================q-point: ( 0.43 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 8.804 -3.033 -0.330) 9.318 1.160 ( 4.209 -2.175 0.672) 4.785 1.234 ( 2.766 5.679 -0.954) 6.389 1.257 ( 2.817 0.777 -1.433) 3.255 1.279 ( -0.058 2.603 -0.396) 2.633 1.318 ( 0.042 1.072 -0.045) 1.074 1.353 ( 5.759 2.325 0.451) 6.226 1.381 ( 6.426 4.169 -1.203) 7.753 1.527 ( 1.672 4.684 -0.910) 5.056 1.546 ( 1.603 4.627 1.886) 5.247 1.657 ( 4.331 1.122 0.492) 4.501 1.702 ( 3.028 4.132 0.339) 5.134 1.728 ( 6.710 -1.811 -1.156) 7.046 1.832 ( -1.974 5.890 -0.809) 6.264 1.907 ( 9.246 -1.446 0.429) 9.369 1.990 ( 2.894 3.569 -1.273) 4.768 2.102 ( 2.560 -3.273 1.301) 4.354 2.120 ( -0.736 -2.193 0.568) 2.382 2.157 ( -1.863 -0.952 0.772) 2.230 2.179 ( -1.745 -1.328 -0.858) 2.354 2.207 ( 1.012 -3.397 1.110) 3.714 2.247 ( -0.246 -2.591 0.844) 2.737 2.259 ( 5.798 -5.425 0.057) 7.940 2.314 ( -2.509 -1.528 1.130) 3.147 2.385 ( -3.418 0.716 -2.279) 4.170 2.404 ( 3.484 -1.717 0.687) 3.944 2.426 ( 2.535 -0.578 -0.501) 2.648 2.490 ( 4.111 4.415 0.705) 6.074 2.529 ( -3.132 6.224 4.554) 8.324 2.544 ( 1.248 4.080 -0.319) 4.279 2.609 ( 3.577 -1.477 -0.836) 3.959 2.633 ( -3.410 0.030 0.113) 3.412 2.680 ( -0.333 4.966 -0.050) 4.977 2.766 ( -3.890 3.778 -3.540) 6.476 2.953 ( 2.989 1.639 0.165) 3.413 2.990 ( 2.173 2.744 -0.328) 3.515 3.287 ( 6.794 -10.366 1.585) 12.495 3.336 ( 6.699 -8.805 0.047) 11.064 3.365 ( 3.791 -4.120 -0.828) 5.660 3.379 ( 3.959 -4.850 -0.833) 6.316 3.506 ( -3.598 3.768 1.941) 5.560 3.580 ( -1.575 3.808 -0.605) 4.165 3.600 ( -1.869 2.451 -0.913) 3.214 3.623 ( -1.361 3.976 -0.835) 4.284 3.683 ( 3.550 0.056 0.397) 3.572 3.706 ( 2.448 0.891 0.181) 2.611 3.808 ( 1.097 4.642 -0.305) 4.780 3.817 ( 2.273 4.098 -0.126) 4.688 3.840 ( -0.635 -1.300 -0.050) 1.448 3.883 ( 0.209 -1.504 0.052) 1.519 4.032 ( 0.292 4.117 -0.248) 4.135 4.096 ( 0.001 2.700 0.166) 2.705 4.353 ( 2.918 0.327 0.357) 2.958 4.358 ( 2.962 0.567 0.009) 3.016 4.550 ( 4.279 -4.879 0.018) 6.489 4.595 ( 4.473 -5.463 -0.213) 7.064 5.080 ( -8.015 2.430 -0.143) 8.377 5.089 ( -8.021 1.851 0.183) 8.234 5.389 ( 0.306 1.630 -0.252) 1.678 5.420 ( -0.042 1.427 0.178) 1.438 5.618 ( 0.264 -4.336 0.497) 4.372 5.644 ( -1.599 -3.948 0.103) 4.260 5.825 ( -5.578 -0.697 -1.376) 5.787 5.885 ( -4.826 -1.974 1.281) 5.369 8.609 ( -1.908 2.326 0.258) 3.019 8.643 ( -2.023 2.107 -0.217) 2.929 8.847 ( -4.523 -4.119 -0.084) 6.118 8.870 ( -4.750 -4.110 0.079) 6.282 8.972 ( -2.615 -3.466 -0.245) 4.349 8.988 ( -2.037 -3.691 0.236) 4.223 9.275 ( 3.604 5.604 0.126) 6.664 9.304 ( 4.275 4.221 -0.003) 6.007 9.401 ( 0.309 1.369 -0.143) 1.411 9.413 ( 1.090 1.689 0.062) 2.011 9.478 ( 0.721 1.647 0.208) 1.810 9.499 ( 1.747 3.187 -0.134) 3.636 9.720 ( 2.695 -4.463 0.571) 5.245 9.769 ( -1.470 -4.829 -0.668) 5.092 9.810 ( -3.138 -0.356 0.999) 3.312 9.825 ( -4.519 -3.206 0.128) 5.542 9.884 ( 2.395 -0.769 -2.659) 3.661 9.964 ( 1.099 0.827 -0.391) 1.430 10.019 ( 1.809 -4.421 2.216) 5.265 10.121 ( -2.984 2.501 -0.540) 3.931 10.151 ( -1.480 0.821 0.357) 1.729 10.214 ( 2.118 -0.855 -0.463) 2.331 10.269 ( 6.047 3.708 0.316) 7.100 10.283 ( 4.799 3.399 0.400) 5.894 10.389 ( 3.631 0.824 0.291) 3.735 10.392 ( 3.594 0.599 -0.361) 3.661 10.692 ( -1.304 -0.304 -0.489) 1.425 10.754 ( 1.449 0.426 0.036) 1.511 10.833 ( 1.174 1.459 0.199) 1.883 10.853 ( -0.078 6.655 -0.781) 6.701 11.087 ( 0.094 -3.799 0.900) 3.905 11.281 ( -4.593 -3.236 -0.477) 5.639======================= Grid point 60 (27/44) =======================q-point: (-0.43 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -9.900 11.070 -0.273) 14.853 1.133 ( -0.775 6.916 -0.852) 7.011 1.203 ( 3.529 2.688 -1.435) 4.662 1.257 ( 1.537 0.121 0.863) 1.767 1.305 ( 0.401 1.143 0.072) 1.214 1.321 ( 1.680 0.475 -0.527) 1.824 1.360 ( 1.753 5.436 -2.037) 6.064 1.432 ( 6.671 3.531 -0.245) 7.551 1.505 ( 6.367 1.738 2.099) 6.926 1.571 ( 4.973 2.423 -1.223) 5.665 1.651 ( 0.672 4.693 1.123) 4.872 1.668 ( -2.628 5.938 -0.211) 6.497 1.716 ( 3.151 4.663 0.614) 5.662 1.844 ( 4.819 -2.369 -0.411) 5.386 1.892 ( -0.392 7.430 -1.682) 7.628 2.004 ( 1.518 5.003 1.161) 5.355 2.113 ( -3.039 2.379 2.342) 4.514 2.124 ( -0.181 1.123 0.165) 1.149 2.151 ( -1.362 0.362 0.099) 1.413 2.179 ( -5.346 4.573 1.114) 7.122 2.224 ( -0.838 -3.620 0.387) 3.735 2.232 ( -2.821 -0.284 0.320) 2.854 2.277 ( -4.223 0.471 -0.407) 4.269 2.314 ( 0.120 -1.373 0.859) 1.624 2.352 ( 1.054 -2.907 2.135) 3.758 2.416 ( 1.466 -0.055 1.735) 2.272 2.427 ( -0.136 0.714 -4.262) 4.324 2.507 ( 6.272 2.177 0.581) 6.665 2.534 ( 4.880 5.241 -0.569) 7.184 2.584 ( 1.289 0.489 -0.908) 1.650 2.632 ( 0.860 -3.183 -0.035) 3.298 2.657 ( 2.341 -2.460 -1.193) 3.599 2.675 ( 0.774 -0.493 -0.646) 1.122 2.726 ( 5.927 -2.442 -0.103) 6.411 2.970 ( 3.044 2.200 0.381) 3.775 2.977 ( 2.394 3.373 -0.506) 4.167 3.312 ( -7.884 6.348 1.951) 10.309 3.364 ( -5.730 4.072 0.317) 7.037 3.379 ( -6.740 6.365 -2.427) 9.583 3.400 ( -2.288 4.117 0.276) 4.718 3.512 ( 1.190 -2.550 1.903) 3.397 3.562 ( 3.788 -1.705 -0.660) 4.206 3.569 ( 2.459 -3.314 -1.540) 4.405 3.590 ( 1.588 -1.567 -0.585) 2.306 3.698 ( 1.067 3.402 0.291) 3.577 3.702 ( 1.680 3.327 0.022) 3.727 3.770 ( -0.667 0.586 -0.917) 1.277 3.796 ( 1.240 2.112 1.173) 2.716 3.859 ( -0.103 -1.136 -0.114) 1.146 3.891 ( 1.135 1.184 0.758) 1.807 4.020 ( 4.674 1.808 -0.537) 5.040 4.087 ( 1.525 0.326 0.310) 1.590 4.344 ( -0.550 3.247 0.185) 3.299 4.346 ( -0.768 3.391 0.045) 3.477 4.546 ( -5.264 4.577 -0.038) 6.976 4.591 ( -6.200 4.501 0.064) 7.662 5.065 ( 1.488 -7.745 0.128) 7.887 5.087 ( 1.312 -7.921 -0.151) 8.030 5.403 ( 2.932 -0.375 -0.194) 2.962 5.427 ( 2.127 -0.205 0.061) 2.138 5.629 ( -3.969 -0.151 -0.315) 3.985 5.649 ( -2.897 -1.927 0.496) 3.514 5.827 ( -0.143 -5.104 0.322) 5.117 5.900 ( -0.785 -5.702 -0.040) 5.756 8.609 ( 2.194 -1.899 0.082) 2.903 8.639 ( 1.814 -1.826 -0.073) 2.575 8.844 ( -4.248 -4.221 -0.029) 5.989 8.864 ( -4.713 -4.419 0.020) 6.460 8.997 ( -1.440 -4.277 0.333) 4.525 9.026 ( -0.911 -4.659 -0.310) 4.757 9.248 ( 3.612 6.120 -0.133) 7.108 9.297 ( 4.567 5.575 0.255) 7.211 9.407 ( 1.798 -0.127 -0.009) 1.802 9.425 ( 2.651 0.333 0.060) 2.673 9.479 ( 1.590 0.614 0.049) 1.705 9.492 ( 2.381 1.719 -0.379) 2.961 9.700 ( -6.844 5.767 2.010) 9.172 9.773 ( -1.632 -1.602 0.188) 2.295 9.804 ( -1.603 -3.458 -0.438) 3.836 9.810 ( -4.769 -4.042 -0.513) 6.272 9.888 ( -2.225 4.569 -0.017) 5.082 9.908 ( -3.162 -1.188 -0.983) 3.518 10.054 ( -3.415 1.793 0.609) 3.905 10.114 ( 2.355 -3.797 -1.367) 4.672 10.155 ( 1.527 -1.986 0.234) 2.516 10.232 ( 1.722 1.986 -0.636) 2.704 10.277 ( 4.374 5.370 0.412) 6.938 10.293 ( 3.090 4.206 -0.290) 5.227 10.390 ( 0.902 3.579 -0.056) 3.692 10.396 ( 1.117 3.432 -0.207) 3.615 10.685 ( -0.598 -1.442 1.730) 2.330 10.757 ( 1.604 2.391 -0.482) 2.920 10.817 ( 3.301 2.899 0.342) 4.406 10.860 ( 3.335 -1.612 -1.361) 3.946 11.094 ( -3.521 -0.546 0.749) 3.641 11.269 ( -4.011 -3.940 -0.450) 5.640======================= Grid point 61 (28/44) =======================q-point: (-0.29 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( -7.669 11.522 7.656) 15.817 1.006 ( 0.814 10.697 -0.722) 10.752 1.136 ( 2.956 11.429 -5.796) 13.151 1.267 ( 0.062 0.486 0.346) 0.600 1.296 ( -0.711 0.588 0.166) 0.938 1.318 ( 0.438 1.247 -0.047) 1.323 1.321 ( 0.254 1.926 -1.651) 2.549 1.408 ( 0.471 9.877 -3.876) 10.621 1.468 ( -2.508 7.006 1.487) 7.588 1.539 ( -0.459 5.217 3.197) 6.136 1.609 ( 3.092 2.025 2.163) 4.282 1.618 ( 0.015 2.349 -0.747) 2.465 1.680 ( -0.607 7.570 -0.320) 7.601 1.818 ( 3.442 5.484 -0.210) 6.478 1.842 ( -5.919 7.899 4.053) 10.670 1.945 ( 3.494 -2.331 -0.168) 4.204 1.992 ( 2.346 6.653 1.142) 7.146 2.059 ( -6.701 6.114 0.418) 9.081 2.093 ( -3.715 0.518 -0.614) 3.801 2.136 ( -0.300 1.223 0.691) 1.437 2.161 ( 1.130 -0.291 1.121) 1.617 2.236 ( -4.998 3.745 -5.620) 8.401 2.252 ( -1.761 1.224 -2.668) 3.423 2.300 ( -2.188 0.835 -2.808) 3.657 2.390 ( 3.769 0.759 1.235) 4.038 2.413 ( 1.691 -3.618 -0.676) 4.050 2.439 ( 1.953 -0.314 1.364) 2.403 2.508 ( 4.026 4.707 -1.793) 6.448 2.558 ( 2.382 5.438 1.725) 6.182 2.648 ( 5.131 -3.728 0.876) 6.403 2.707 ( 0.716 -4.962 0.224) 5.019 2.714 ( 0.471 -2.517 -1.649) 3.045 2.755 ( 3.835 -3.800 -0.518) 5.424 2.841 ( 3.022 -3.529 2.104) 5.100 2.951 ( -2.966 4.408 0.341) 5.324 2.964 ( 1.308 3.785 -0.126) 4.006 3.010 ( -8.365 9.539 0.418) 12.694 3.119 ( -8.982 6.221 -0.659) 10.945 3.236 ( -3.718 9.071 -0.237) 9.807 3.260 ( -4.334 9.225 0.365) 10.199 3.570 ( -0.364 -2.049 4.207) 4.693 3.604 ( -0.943 4.273 0.609) 4.418 3.622 ( 4.331 -2.262 0.567) 4.919 3.651 ( 0.409 3.573 -1.455) 3.879 3.676 ( 3.420 -0.211 -0.761) 3.510 3.686 ( 3.379 -2.907 -1.978) 4.876 3.760 ( -2.386 -1.803 -0.485) 3.030 3.798 ( -1.680 -1.473 0.461) 2.281 3.866 ( 1.059 0.584 0.581) 1.342 3.894 ( 2.866 2.063 0.210) 3.537 4.052 ( 1.154 3.297 -0.979) 3.627 4.090 ( -0.212 1.741 0.561) 1.842 4.265 ( -1.788 4.628 0.078) 4.962 4.270 ( -1.653 4.515 0.104) 4.809 4.403 ( -4.493 2.414 0.701) 5.149 4.435 ( -5.621 2.606 -0.555) 6.221 5.230 ( 2.996 -9.214 0.211) 9.691 5.244 ( 2.469 -9.006 -0.278) 9.343 5.463 ( 3.904 -0.822 0.023) 3.990 5.474 ( 3.506 -0.693 -0.304) 3.587 5.571 ( -3.465 0.648 -0.231) 3.532 5.605 ( -4.920 -0.127 -0.120) 4.923 5.923 ( 1.591 -5.990 2.306) 6.613 5.994 ( 1.045 -6.981 -1.271) 7.172 8.711 ( 5.006 -5.165 -0.076) 7.193 8.733 ( 4.480 -4.939 0.105) 6.669 8.847 ( -4.203 -4.738 -0.006) 6.333 8.864 ( -4.626 -5.067 -0.003) 6.861 9.032 ( -2.006 -2.903 0.538) 3.569 9.056 ( -2.402 -1.596 -0.463) 2.921 9.214 ( 5.452 6.633 -0.041) 8.586 9.309 ( 6.856 2.722 0.170) 7.378 9.426 ( -3.863 2.875 -0.025) 4.815 9.447 ( 0.666 -0.943 0.913) 1.472 9.501 ( 2.828 1.588 -0.306) 3.258 9.518 ( 2.913 3.176 0.668) 4.361 9.530 ( 0.775 3.160 0.629) 3.314 9.698 ( -7.477 2.709 -2.249) 8.264 9.780 ( -3.619 -0.738 0.788) 3.776 9.825 ( -1.483 -1.607 1.127) 2.460 9.831 ( -2.298 -3.848 -0.186) 4.486 9.872 ( -3.688 0.881 -0.987) 3.919 9.963 ( -3.008 4.138 2.895) 5.878 10.148 ( 0.085 2.507 -8.193) 8.568 10.193 ( 2.926 2.579 0.532) 3.936 10.224 ( 3.739 6.213 -0.281) 7.257 10.265 ( -0.078 -1.121 -0.336) 1.172 10.281 ( 0.682 0.236 0.243) 0.761 10.321 ( -1.405 4.856 0.192) 5.059 10.343 ( -0.082 2.774 -0.779) 2.883 10.710 ( 0.151 -0.484 2.908) 2.951 10.736 ( 1.650 3.352 -0.599) 3.783 10.835 ( 4.203 2.847 0.286) 5.085 10.948 ( 0.814 -1.596 -0.666) 1.911 11.050 ( 2.002 -1.259 0.518) 2.421 11.269 ( -6.823 -6.459 0.135) 9.396======================= Grid point 62 (29/44) =======================q-point: (-0.14 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 0.491 7.123 16.894) 18.341 0.857 ( -1.163 14.429 4.855) 15.268 0.994 ( 3.407 12.141 -10.236) 16.242 1.058 ( -2.949 17.168 -1.118) 17.455 1.258 ( -0.577 8.343 4.279) 9.394 1.305 ( 0.936 -0.924 -0.586) 1.440 1.317 ( 0.221 0.135 0.432) 0.504 1.328 ( -0.042 0.659 -0.333) 0.740 1.363 ( -0.020 9.722 4.466) 10.698 1.477 ( 0.954 1.732 1.217) 2.322 1.555 ( -1.703 3.406 -0.991) 3.934 1.583 ( -1.116 3.002 -0.177) 3.207 1.583 ( 2.554 5.319 -2.356) 6.353 1.703 ( -1.728 4.037 -5.827) 7.297 1.836 ( 4.161 5.031 0.126) 6.530 1.856 ( -4.197 6.575 -1.757) 7.996 1.960 ( 0.034 4.650 0.522) 4.680 1.974 ( 2.003 6.151 -3.814) 7.510 2.057 ( -1.858 -1.339 0.135) 2.295 2.114 ( 1.360 -0.664 -3.368) 3.693 2.137 ( 0.201 1.298 0.608) 1.447 2.175 ( 0.133 1.728 -1.025) 2.014 2.219 ( 0.362 0.446 0.287) 0.642 2.253 ( -2.100 1.341 -1.597) 2.959 2.393 ( -0.798 3.301 1.508) 3.716 2.422 ( 0.546 5.474 -0.742) 5.551 2.500 ( -3.917 -3.465 0.913) 5.309 2.514 ( 6.074 6.357 0.187) 8.794 2.528 ( -0.203 -2.319 -0.672) 2.423 2.548 ( -1.278 6.706 -1.474) 6.984 2.770 ( 1.639 -3.144 1.369) 3.801 2.798 ( -0.302 -2.747 -0.940) 2.919 2.825 ( 0.990 -4.088 0.969) 4.316 2.853 ( -0.112 -4.435 -1.310) 4.626 2.947 ( -2.046 0.215 0.967) 2.273 2.950 ( 1.315 0.406 0.263) 1.401 2.969 ( 2.520 -2.137 2.601) 4.205 2.983 ( -3.376 0.801 1.990) 4.000 3.070 ( -0.075 9.816 1.319) 9.904 3.085 ( -0.282 8.668 0.808) 8.710 3.502 ( -0.030 7.779 0.868) 7.828 3.519 ( -0.539 7.166 -0.059) 7.186 3.637 ( -0.980 -1.732 3.421) 3.958 3.723 ( 2.720 -3.597 -1.200) 4.667 3.732 ( -1.453 -2.227 0.039) 2.659 3.747 ( -2.885 -2.633 0.216) 3.912 3.770 ( 3.086 -1.433 -0.409) 3.427 3.780 ( 0.137 -0.846 -2.775) 2.904 3.878 ( 0.304 0.905 1.137) 1.485 3.899 ( -0.071 1.678 -0.634) 1.795 3.972 ( 0.255 5.663 1.074) 5.770 4.014 ( -0.385 5.028 -2.585) 5.666 4.195 ( -0.124 3.722 0.211) 3.730 4.198 ( 0.137 3.844 -0.012) 3.847 4.382 ( -1.050 -2.198 1.465) 2.843 4.407 ( 1.060 -1.929 -0.663) 2.299 5.364 ( -0.242 -6.840 0.247) 6.848 5.372 ( 0.252 -6.709 -0.350) 6.723 5.506 ( -0.699 -0.203 0.171) 0.748 5.517 ( 1.305 0.300 -0.129) 1.346 5.529 ( -3.755 0.783 -0.046) 3.836 5.546 ( 2.949 0.730 -1.229) 3.277 6.029 ( 0.295 -6.086 3.870) 7.218 6.090 ( -0.352 -6.087 -1.693) 6.328 8.855 ( -0.140 -5.563 0.229) 5.569 8.860 ( 0.027 -5.273 -0.231) 5.279 8.872 ( 1.394 -5.230 0.149) 5.414 8.875 ( -1.317 -5.602 -0.095) 5.756 9.017 ( -0.264 2.068 0.098) 2.087 9.019 ( 0.285 2.017 -0.087) 2.039 9.196 ( -0.654 10.514 1.613) 10.657 9.240 ( 0.908 4.804 -2.023) 5.291 9.393 ( -3.252 -0.467 2.161) 3.933 9.454 ( 3.727 1.587 -1.801) 4.433 9.504 ( 0.392 0.201 0.008) 0.440 9.516 ( -0.564 -1.348 -0.433) 1.524 9.545 ( -4.052 2.424 0.616) 4.762 9.592 ( 5.721 3.594 -2.433) 7.181 9.756 ( -0.562 5.559 1.063) 5.688 9.769 ( -1.160 0.574 0.257) 1.319 9.863 ( 0.100 -4.547 0.319) 4.560 9.873 ( -0.729 -3.867 -0.545) 3.973 9.918 ( 1.224 0.470 1.965) 2.362 10.031 ( -2.001 7.151 -9.437) 12.008 10.171 ( 0.839 6.592 0.028) 6.645 10.175 ( -0.556 6.796 -0.198) 6.821 10.190 ( 1.122 5.391 0.076) 5.507 10.192 ( -1.155 5.520 -0.101) 5.640 10.361 ( -0.310 -6.046 1.004) 6.136 10.398 ( 0.804 -6.894 -1.698) 7.145 10.695 ( -0.882 2.198 1.231) 2.669 10.715 ( 1.455 3.094 -0.728) 3.495 10.837 ( 2.220 5.537 -0.134) 5.967 10.850 ( -2.402 5.570 -0.917) 6.135 11.249 ( -1.771 -8.360 2.924) 9.033 11.265 ( 1.648 -9.279 0.571) 9.441======================= Grid point 65 (30/44) =======================q-point: ( 0.29 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 9.906 0.000 4.352) 10.820 1.079 ( 7.918 0.000 -5.302) 9.529 1.270 ( -0.472 -0.000 0.005) 0.472 1.319 ( -0.074 -0.000 0.733) 0.737 1.332 ( 0.284 0.000 -0.351) 0.452 1.332 ( 0.296 0.000 -0.402) 0.500 1.455 ( 13.524 0.000 3.132) 13.882 1.465 ( 11.682 0.000 -3.820) 12.291 1.574 ( 4.868 0.000 1.333) 5.047 1.621 ( 3.923 0.000 -0.556) 3.962 1.651 ( 2.977 0.000 0.379) 3.001 1.672 ( 6.536 0.000 -1.795) 6.778 1.841 ( 6.868 0.000 -0.965) 6.935 1.844 ( 8.485 0.000 1.333) 8.589 1.973 ( 2.626 0.000 1.095) 2.845 2.003 ( 3.688 0.000 -2.752) 4.601 2.069 ( -0.019 -0.000 0.271) 0.272 2.070 ( 1.201 0.000 0.174) 1.213 2.090 ( 2.614 0.000 0.242) 2.626 2.173 ( 5.603 0.000 4.335) 7.084 2.195 ( 0.097 0.000 0.918) 0.923 2.198 ( -1.082 -0.000 1.792) 2.094 2.244 ( 6.637 0.000 -5.578) 8.670 2.281 ( -1.925 -0.000 -2.111) 2.857 2.288 ( -0.636 -0.000 0.963) 1.155 2.298 ( -2.299 -0.000 1.625) 2.815 2.493 ( 0.199 0.000 2.197) 2.206 2.519 ( 1.127 0.000 -3.209) 3.401 2.603 ( -9.341 -0.000 -0.101) 9.341 2.613 ( -3.693 -0.000 -0.110) 3.694 2.643 ( -2.355 -0.000 0.328) 2.378 2.653 ( -3.604 -0.000 0.535) 3.644 2.861 ( 10.738 0.000 2.427) 11.009 2.952 ( 10.658 0.000 -3.416) 11.192 2.979 ( 4.935 0.000 3.925) 6.305 3.002 ( 5.038 0.000 -0.788) 5.099 3.053 ( 7.048 0.000 -2.129) 7.362 3.070 ( 5.723 0.000 1.234) 5.854 3.282 ( 4.989 0.000 -0.560) 5.021 3.326 ( 4.357 0.000 0.047) 4.358 3.562 ( -3.424 -0.000 3.657) 5.010 3.610 ( -3.941 -0.000 -3.102) 5.016 3.635 ( 0.652 0.000 0.363) 0.747 3.699 ( -2.660 -0.000 0.112) 2.662 3.734 ( 2.453 0.000 -1.118) 2.696 3.755 ( 1.038 0.000 -0.643) 1.221 3.757 ( 3.385 0.000 -0.062) 3.386 3.780 ( 1.720 0.000 0.581) 1.815 3.913 ( -3.009 -0.000 -1.159) 3.225 3.926 ( -0.251 -0.000 1.613) 1.632 4.139 ( 7.837 0.000 -2.569) 8.247 4.157 ( 8.143 0.000 1.900) 8.362 4.354 ( 5.126 0.000 0.478) 5.148 4.366 ( 4.817 0.000 -0.090) 4.818 4.440 ( 3.938 0.000 0.032) 3.938 4.445 ( 3.739 0.000 -0.407) 3.761 5.130 ( -11.109 -0.000 -0.218) 11.111 5.147 ( -10.517 -0.000 0.322) 10.522 5.458 ( -0.707 -0.000 -1.024) 1.245 5.482 ( -0.951 -0.000 0.906) 1.314 5.505 ( -0.827 -0.000 1.181) 1.442 5.520 ( -0.472 -0.000 -0.812) 0.939 5.819 ( -8.764 -0.000 -2.318) 9.065 5.851 ( -7.961 -0.000 2.388) 8.311 8.714 ( -4.688 -0.000 -0.115) 4.690 8.719 ( -4.684 -0.000 0.384) 4.700 8.734 ( -4.716 -0.000 -0.251) 4.723 8.751 ( -4.933 -0.000 0.092) 4.934 8.921 ( -1.566 -0.000 -0.066) 1.567 8.932 ( -1.375 -0.000 0.068) 1.377 9.374 ( -2.332 -0.000 -0.651) 2.421 9.378 ( -2.492 -0.000 0.644) 2.573 9.402 ( 2.775 0.000 -0.175) 2.780 9.413 ( 2.618 0.000 0.461) 2.658 9.584 ( 1.909 0.000 -0.516) 1.977 9.617 ( 0.429 0.000 0.941) 1.034 9.643 ( 5.375 0.000 0.646) 5.414 9.651 ( 2.828 0.000 -1.437) 3.172 9.735 ( -3.081 -0.000 0.736) 3.168 9.737 ( -3.494 -0.000 -0.397) 3.517 9.878 ( 4.103 0.000 -1.264) 4.293 9.901 ( 3.757 0.000 0.695) 3.821 10.101 ( 1.699 0.000 5.843) 6.085 10.107 ( 4.557 0.000 -5.575) 7.201 10.171 ( -5.348 -0.000 0.266) 5.354 10.192 ( -2.007 -0.000 -0.206) 2.018 10.328 ( 4.396 0.000 0.171) 4.400 10.330 ( 4.682 0.000 -0.018) 4.682 10.398 ( 7.510 0.000 -0.668) 7.540 10.407 ( 7.979 0.000 0.318) 7.985 10.689 ( -0.507 -0.000 -2.249) 2.305 10.739 ( -1.217 -0.000 2.053) 2.386 10.936 ( 1.080 0.000 0.264) 1.112 10.951 ( 3.126 0.000 1.064) 3.302 11.095 ( -3.656 -0.000 -1.856) 4.100 11.110 ( -4.512 -0.000 0.599) 4.551======================= Grid point 66 (31/44) =======================q-point: ( 0.43 0.29 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 4.448 -1.278 -1.010) 4.737 1.198 ( 7.433 -0.562 0.217) 7.458 1.245 ( -1.206 2.520 0.062) 2.794 1.280 ( -1.694 4.275 -0.369) 4.613 1.333 ( 0.635 0.153 -0.171) 0.675 1.338 ( 0.660 0.277 0.064) 0.718 1.526 ( 8.192 4.518 -0.139) 9.356 1.578 ( 4.474 6.291 0.190) 7.722 1.625 ( 6.924 2.355 -0.869) 7.365 1.645 ( 3.804 2.950 1.685) 5.100 1.750 ( 8.715 -1.307 0.635) 8.836 1.773 ( 4.651 -1.133 -1.331) 4.968 1.842 ( 3.676 6.578 -1.343) 7.654 1.894 ( -0.830 6.677 -1.466) 6.886 2.020 ( 7.716 -1.415 1.188) 7.934 2.047 ( 3.004 -3.477 -2.039) 5.027 2.068 ( -1.035 -0.844 2.512) 2.845 2.103 ( -0.806 -0.834 0.659) 1.334 2.145 ( 0.104 -0.667 -0.478) 0.827 2.160 ( -1.732 -0.684 1.909) 2.667 2.184 ( -0.495 4.701 -0.885) 4.809 2.210 ( -2.490 -0.824 0.948) 2.789 2.255 ( 1.265 -2.449 0.845) 2.883 2.272 ( 3.299 -3.998 -1.538) 5.407 2.328 ( -1.884 -1.893 -3.510) 4.410 2.404 ( 3.687 -5.281 1.519) 6.617 2.431 ( -7.075 4.011 0.419) 8.143 2.483 ( -3.582 0.897 1.157) 3.870 2.542 ( 0.986 -2.221 0.826) 2.567 2.568 ( -3.099 -2.058 0.734) 3.792 2.584 ( -2.348 1.016 0.183) 2.565 2.636 ( -1.085 -0.418 -2.153) 2.447 2.899 ( 12.650 11.852 0.953) 17.361 2.929 ( 9.381 13.477 1.107) 16.458 3.056 ( 6.239 3.056 -0.080) 6.948 3.096 ( 5.567 3.713 -0.185) 6.695 3.251 ( 7.841 -9.164 1.032) 12.105 3.284 ( 5.564 -9.706 -0.347) 11.193 3.358 ( 2.008 -2.389 0.251) 3.131 3.389 ( 4.220 -1.874 -1.153) 4.759 3.509 ( -2.733 1.727 1.507) 3.566 3.537 ( -5.252 0.163 -1.742) 5.536 3.605 ( -2.929 0.815 -0.387) 3.065 3.628 ( -5.223 1.568 -0.054) 5.454 3.745 ( 3.322 1.209 -0.928) 3.655 3.769 ( 2.505 2.123 0.179) 3.288 3.802 ( 0.184 -1.905 0.043) 1.914 3.815 ( -2.449 1.350 -0.785) 2.904 3.867 ( -0.411 -0.895 0.255) 1.017 3.891 ( -2.173 1.413 1.214) 2.862 4.180 ( 8.733 7.838 -0.443) 11.743 4.221 ( 7.855 8.164 -0.082) 11.329 4.411 ( 3.496 1.166 0.181) 3.690 4.422 ( 3.515 1.801 0.034) 3.949 4.546 ( 4.977 -4.880 0.244) 6.975 4.577 ( 4.900 -6.228 -0.348) 7.932 4.965 ( -10.887 0.030 -0.026) 10.887 4.977 ( -11.416 1.021 0.125) 11.462 5.420 ( 0.657 2.081 -0.509) 2.241 5.449 ( 0.660 2.073 0.480) 2.228 5.547 ( -1.046 -4.958 0.266) 5.074 5.560 ( -1.338 -4.509 0.170) 4.706 5.710 ( -7.117 -2.210 -1.480) 7.597 5.768 ( -6.879 -3.012 1.310) 7.623 8.619 ( -1.536 2.453 0.069) 2.895 8.645 ( -1.918 2.076 -0.035) 2.827 8.721 ( -4.245 -4.508 -0.051) 6.192 8.739 ( -4.889 -4.330 0.080) 6.531 8.913 ( -1.109 -1.549 0.071) 1.906 8.929 ( -1.077 -2.170 -0.069) 2.424 9.338 ( -1.426 0.002 -0.494) 1.510 9.352 ( -1.223 -0.674 0.441) 1.464 9.431 ( 2.279 2.360 0.281) 3.293 9.436 ( 2.983 1.622 -0.102) 3.397 9.560 ( 2.442 4.032 -0.050) 4.714 9.604 ( 2.249 4.498 -0.153) 5.031 9.682 ( -1.277 -3.565 0.104) 3.788 9.695 ( -0.798 -1.960 -0.055) 2.117 9.731 ( -1.850 -3.222 -0.016) 3.715 9.740 ( -1.648 -2.393 0.071) 2.906 9.925 ( 3.567 1.311 -1.163) 3.974 9.982 ( 2.918 -3.683 1.073) 4.819 10.033 ( -3.035 4.879 0.293) 5.754 10.086 ( -4.434 0.704 -0.240) 4.497 10.156 ( 1.861 1.138 0.104) 2.184 10.231 ( 2.603 -1.554 0.247) 3.042 10.374 ( 3.411 1.206 0.419) 3.642 10.377 ( 3.538 1.404 -0.057) 3.807 10.477 ( 5.733 2.235 -0.942) 6.225 10.490 ( 5.910 2.568 0.134) 6.445 10.672 ( -0.969 0.082 -0.987) 1.386 10.732 ( -1.647 -1.581 1.074) 2.523 10.914 ( 2.705 3.461 0.612) 4.435 10.946 ( 0.327 6.214 -0.454) 6.239 11.032 ( -0.975 -2.848 0.191) 3.017 11.146 ( -4.560 -6.066 -0.441) 7.602======================= Grid point 67 (32/44) =======================q-point: (-0.43 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -4.370 11.437 1.088) 12.292 1.156 ( -2.253 4.541 -2.172) 5.515 1.273 ( 3.496 1.158 -0.585) 3.729 1.283 ( 2.417 -0.031 0.650) 2.503 1.329 ( -0.465 1.257 0.235) 1.361 1.338 ( 0.392 0.375 -0.521) 0.752 1.534 ( 4.086 8.346 -0.079) 9.293 1.572 ( 5.208 2.839 -0.181) 5.934 1.635 ( 5.056 4.335 1.521) 6.831 1.689 ( 3.909 3.862 -0.620) 5.530 1.705 ( -2.788 7.225 0.023) 7.744 1.759 ( 0.095 8.743 -0.875) 8.787 1.846 ( 5.614 4.028 -0.118) 6.911 1.893 ( 5.836 -0.981 -0.577) 5.946 1.995 ( -0.861 6.576 1.773) 6.865 2.041 ( -4.200 3.076 -0.254) 5.212 2.093 ( -3.090 -2.005 -1.641) 4.032 2.119 ( -0.642 -0.278 0.949) 1.180 2.138 ( 0.891 0.475 -0.380) 1.079 2.167 ( -2.088 0.300 -0.880) 2.285 2.209 ( 6.081 -3.599 0.570) 7.089 2.219 ( 1.743 0.112 0.415) 1.795 2.251 ( -5.590 3.037 1.003) 6.441 2.282 ( -2.119 -0.283 0.822) 2.290 2.312 ( 0.070 -2.165 1.590) 2.687 2.403 ( -3.875 0.767 -1.289) 4.155 2.433 ( 4.410 -3.943 0.344) 5.926 2.493 ( -0.929 -4.688 -1.720) 5.079 2.555 ( -2.584 -3.133 -0.976) 4.177 2.566 ( -3.206 -2.979 -1.362) 4.583 2.612 ( 3.176 -1.933 1.153) 3.892 2.638 ( 0.368 -1.050 0.191) 1.129 2.903 ( 13.416 12.121 0.982) 18.107 2.935 ( 13.361 10.496 1.387) 17.048 3.085 ( 5.123 4.986 0.136) 7.150 3.096 ( 4.159 6.088 -0.017) 7.374 3.279 ( -7.698 4.448 0.529) 8.906 3.322 ( -8.808 5.892 -0.994) 10.644 3.366 ( -2.385 1.274 -0.401) 2.734 3.417 ( -2.241 2.947 -0.809) 3.790 3.481 ( -1.714 -2.554 2.373) 3.885 3.521 ( 2.395 -5.258 -2.309) 6.222 3.585 ( 1.122 -2.368 -0.758) 2.728 3.613 ( 3.322 -2.758 -0.005) 4.318 3.715 ( -4.174 1.818 -0.281) 4.562 3.767 ( -1.038 2.964 0.301) 3.155 3.780 ( 3.664 1.870 -0.512) 4.145 3.824 ( -1.294 2.326 0.929) 2.819 3.833 ( 0.201 -2.196 1.163) 2.493 3.896 ( -1.051 -1.909 -0.353) 2.208 4.199 ( 9.878 7.840 -0.572) 12.624 4.212 ( 8.092 8.636 0.270) 11.838 4.398 ( 0.374 4.437 0.228) 4.458 4.403 ( 0.616 4.734 -0.079) 4.774 4.537 ( -6.062 5.681 -0.061) 8.308 4.564 ( -7.658 5.651 0.121) 9.519 4.949 ( -0.237 -10.313 0.049) 10.316 4.963 ( -0.678 -10.676 -0.018) 10.697 5.438 ( 3.224 -0.701 -0.327) 3.316 5.462 ( 2.978 0.033 0.331) 2.997 5.555 ( -4.634 -1.519 -0.391) 4.892 5.569 ( -3.768 -2.375 0.149) 4.456 5.728 ( -0.994 -7.751 0.699) 7.846 5.780 ( -2.423 -7.942 -0.347) 8.310 8.618 ( 2.416 -1.415 -0.021) 2.800 8.640 ( 1.758 -1.611 0.046) 2.385 8.722 ( -4.353 -4.086 -0.008) 5.970 8.730 ( -4.837 -4.348 0.020) 6.504 8.937 ( -0.278 -3.125 0.533) 3.183 8.962 ( -0.289 -3.781 -0.552) 3.832 9.340 ( 1.057 -0.569 -0.286) 1.234 9.365 ( -0.037 -2.360 0.207) 2.370 9.419 ( 1.150 2.778 0.487) 3.046 9.435 ( 1.618 3.436 -0.359) 3.815 9.563 ( 4.094 2.023 -0.011) 4.567 9.592 ( 3.757 3.079 -0.115) 4.859 9.674 ( -4.205 -0.335 0.721) 4.279 9.703 ( -2.445 -3.276 -0.352) 4.103 9.728 ( -2.321 0.026 -0.466) 2.368 9.734 ( -2.181 0.290 0.340) 2.226 9.910 ( -0.763 3.924 -0.323) 4.011 9.928 ( -1.233 4.258 0.583) 4.471 10.033 ( -1.539 0.208 0.631) 1.676 10.071 ( 0.742 -4.498 -0.436) 4.579 10.169 ( 1.693 0.506 1.245) 2.161 10.256 ( 0.387 0.712 -2.335) 2.472 10.381 ( 1.514 3.164 0.034) 3.508 10.381 ( 1.542 3.062 0.396) 3.451 10.482 ( 2.822 5.310 -1.131) 6.119 10.490 ( 2.249 5.646 0.003) 6.077 10.672 ( 0.439 -0.894 1.955) 2.194 10.747 ( -0.711 -2.862 -1.110) 3.151 10.900 ( 3.201 3.332 -0.069) 4.621 10.941 ( 5.424 1.608 0.052) 5.658 11.028 ( -3.718 -1.416 0.628) 4.028 11.142 ( -5.638 -3.847 -0.571) 6.849======================= Grid point 68 (33/44) =======================q-point: (-0.29 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( 0.437 13.052 6.201) 14.457 1.052 ( -0.899 5.341 -7.216) 9.023 1.279 ( 0.417 1.713 0.276) 1.784 1.284 ( 0.028 1.565 -0.056) 1.566 1.309 ( -0.129 0.923 0.928) 1.315 1.332 ( 0.041 0.548 -0.840) 1.004 1.449 ( 1.314 11.920 0.891) 12.025 1.507 ( -1.426 9.820 -3.372) 10.480 1.569 ( -1.444 5.748 2.678) 6.503 1.626 ( 1.511 6.574 -1.986) 7.032 1.660 ( 1.620 2.678 0.493) 3.168 1.681 ( 0.320 3.888 -1.030) 4.035 1.822 ( -5.451 5.745 3.218) 8.548 1.844 ( 3.765 9.352 1.033) 10.134 1.975 ( -1.321 3.251 0.462) 3.539 1.986 ( 2.783 -0.066 -0.292) 2.799 2.039 ( -3.516 1.758 1.626) 4.254 2.058 ( 1.537 4.964 -0.780) 5.254 2.129 ( 0.132 7.766 1.911) 7.999 2.151 ( 0.910 1.309 2.317) 2.813 2.170 ( 1.883 -1.777 1.520) 3.002 2.210 ( -1.678 0.441 -1.851) 2.537 2.255 ( -3.785 -0.496 -2.408) 4.513 2.301 ( 3.365 4.417 -5.323) 7.692 2.364 ( -1.177 -4.017 0.455) 4.211 2.367 ( 1.753 -4.251 -0.076) 4.599 2.472 ( 0.133 1.818 2.006) 2.710 2.539 ( -2.189 -0.961 -3.417) 4.170 2.600 ( -1.523 -8.630 0.174) 8.765 2.608 ( 1.406 -6.805 -0.620) 6.976 2.661 ( -1.515 -2.868 1.419) 3.540 2.689 ( 3.123 -1.313 -0.948) 3.518 2.897 ( -4.669 11.531 3.165) 12.837 2.956 ( 8.111 7.920 4.021) 12.028 2.983 ( -2.337 11.399 -1.484) 11.730 3.047 ( 0.868 5.650 -0.052) 5.716 3.051 ( -0.793 5.761 -0.263) 5.822 3.105 ( -1.594 7.926 -4.594) 9.299 3.311 ( -0.172 5.164 1.259) 5.318 3.343 ( 0.380 5.572 -1.348) 5.745 3.519 ( -1.558 -3.764 4.383) 5.983 3.607 ( 1.166 -4.774 -2.706) 5.610 3.645 ( -0.693 -0.400 0.509) 0.948 3.652 ( 0.114 -0.743 0.341) 0.825 3.701 ( -3.298 -0.092 0.329) 3.316 3.717 ( 3.982 -1.159 -0.580) 4.187 3.758 ( -1.965 3.482 0.022) 3.998 3.769 ( 2.027 4.295 -0.562) 4.782 3.880 ( 1.125 -1.485 1.434) 2.351 3.907 ( -0.949 -1.802 -0.873) 2.216 4.160 ( -0.785 8.303 0.621) 8.363 4.179 ( 0.768 7.856 -1.018) 7.959 4.325 ( 0.158 5.467 0.368) 5.481 4.331 ( 0.005 5.496 -0.098) 5.497 4.402 ( 0.061 4.066 0.537) 4.102 4.413 ( -0.258 3.218 -0.424) 3.256 5.111 ( -0.062 -11.071 0.358) 11.077 5.120 ( 0.075 -11.156 -0.387) 11.163 5.495 ( -2.441 -0.606 0.499) 2.564 5.507 ( 4.021 -1.193 -0.179) 4.198 5.527 ( -4.479 -0.846 -0.129) 4.560 5.537 ( 2.658 -1.239 -0.488) 2.973 5.842 ( 0.336 -7.971 1.954) 8.213 5.883 ( -0.264 -8.805 -1.461) 8.929 8.709 ( -0.680 -4.417 0.228) 4.475 8.715 ( 0.222 -4.512 -0.315) 4.528 8.728 ( 2.285 -4.589 0.238) 5.132 8.732 ( -1.827 -4.537 -0.110) 4.892 8.985 ( 0.285 -3.347 0.919) 3.483 9.007 ( -0.281 -3.319 -0.933) 3.459 9.354 ( 2.340 4.529 0.206) 5.102 9.369 ( -2.946 3.660 -1.110) 4.827 9.405 ( -1.269 -2.462 0.799) 2.883 9.417 ( 1.846 -1.976 -0.025) 2.705 9.580 ( -1.436 3.135 2.812) 4.449 9.596 ( 1.379 4.557 0.791) 4.827 9.613 ( -0.263 3.483 -0.667) 3.556 9.651 ( -0.054 2.501 -2.562) 3.581 9.716 ( -0.128 -2.979 0.888) 3.111 9.736 ( 0.743 -3.712 -0.794) 3.868 9.845 ( 0.322 3.617 1.222) 3.831 9.888 ( 0.598 2.452 -1.983) 3.210 9.999 ( -1.180 2.803 5.162) 5.991 10.134 ( 0.077 -2.635 -5.672) 6.255 10.193 ( -0.233 -1.737 1.565) 2.350 10.233 ( -0.081 -0.181 -2.325) 2.333 10.336 ( -0.153 4.681 0.288) 4.692 10.340 ( 0.064 4.483 0.078) 4.484 10.405 ( -0.293 7.505 -0.269) 7.515 10.413 ( 0.183 6.997 -0.761) 7.040 10.709 ( 0.464 -1.549 3.373) 3.740 10.769 ( 0.272 -0.729 -1.886) 2.040 10.925 ( 1.641 1.718 -0.363) 2.404 10.931 ( -1.612 1.566 -1.069) 2.489 11.060 ( 0.175 -3.689 2.941) 4.721 11.112 ( -0.403 -2.814 -1.608) 3.266======================= Grid point 69 (34/44) =======================q-point: (-0.14 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.797 ( 6.498 9.809 9.168) 14.917 0.959 ( 1.594 6.945 -5.813) 9.195 1.138 ( -5.103 15.236 -1.524) 16.140 1.258 ( -0.622 0.059 0.653) 0.904 1.303 ( 0.191 2.207 -1.187) 2.513 1.316 ( 0.098 1.717 -0.762) 1.882 1.334 ( 0.528 0.089 -0.809) 0.970 1.374 ( 0.526 10.611 -2.099) 10.829 1.467 ( 0.674 5.339 0.780) 5.438 1.567 ( 0.474 4.301 2.732) 5.117 1.611 ( -1.217 3.162 -0.758) 3.472 1.646 ( 0.970 3.318 -1.438) 3.744 1.660 ( -1.326 6.667 2.063) 7.104 1.785 ( -1.880 6.357 1.633) 6.827 1.886 ( 4.186 7.855 1.890) 9.099 1.951 ( -3.067 -0.474 -1.827) 3.601 2.004 ( -1.287 4.690 2.935) 5.680 2.055 ( 6.289 6.023 1.254) 8.798 2.091 ( 3.575 1.948 -0.910) 4.172 2.155 ( 2.028 1.061 1.338) 2.652 2.170 ( 1.921 2.676 -4.332) 5.442 2.185 ( -1.941 2.252 -2.726) 4.033 2.234 ( 2.674 -1.241 1.495) 3.306 2.283 ( 2.814 3.260 -3.580) 5.600 2.388 ( -5.221 -2.078 0.825) 5.680 2.413 ( -0.930 1.491 -0.128) 1.762 2.451 ( -0.814 -1.086 1.716) 2.188 2.476 ( -3.623 2.427 -1.069) 4.490 2.593 ( -2.286 5.083 0.538) 5.599 2.655 ( -4.910 -3.326 -0.455) 5.948 2.680 ( -4.088 -4.379 0.847) 6.050 2.714 ( -0.822 -6.188 -0.664) 6.278 2.754 ( -2.719 -3.055 -0.442) 4.114 2.883 ( -2.261 -2.920 -0.287) 3.704 2.963 ( 2.326 4.239 -0.136) 4.837 2.971 ( -1.243 4.667 -1.053) 4.943 2.999 ( 8.896 9.047 1.556) 12.783 3.093 ( 9.860 6.430 0.562) 11.785 3.233 ( 3.618 8.858 -0.117) 9.569 3.266 ( 4.525 9.562 0.075) 10.579 3.550 ( -1.703 -2.337 4.337) 5.213 3.605 ( -0.581 3.036 0.876) 3.213 3.634 ( -1.875 2.319 -0.220) 2.990 3.650 ( -3.974 -0.761 -0.394) 4.065 3.667 ( -2.975 2.092 0.319) 3.651 3.682 ( 0.333 -4.401 -2.575) 5.110 3.763 ( 1.154 -1.762 -0.533) 2.173 3.814 ( 2.315 -0.952 -0.349) 2.527 3.879 ( -1.713 1.293 -0.332) 2.171 3.896 ( -1.202 1.240 0.172) 1.735 4.045 ( -0.772 3.464 -0.408) 3.572 4.092 ( -0.160 1.462 0.270) 1.495 4.264 ( 1.631 4.719 0.127) 4.995 4.272 ( 1.680 4.555 -0.027) 4.856 4.404 ( 4.854 3.114 0.679) 5.807 4.435 ( 5.327 1.790 -0.539) 5.645 5.230 ( -2.998 -9.125 0.215) 9.607 5.245 ( -2.415 -9.078 -0.300) 9.399 5.453 ( -4.196 -0.916 0.354) 4.309 5.478 ( -3.271 -0.396 -0.299) 3.309 5.564 ( 3.409 0.718 0.192) 3.489 5.610 ( 4.700 -0.290 -0.371) 4.723 5.943 ( -1.218 -6.376 2.268) 6.876 5.979 ( -1.419 -6.735 -1.550) 7.055 8.708 ( -5.192 -5.198 0.112) 7.347 8.736 ( -4.326 -4.907 -0.093) 6.543 8.848 ( 4.246 -4.710 -0.015) 6.342 8.864 ( 4.593 -5.063 0.024) 6.836 9.042 ( 2.478 -2.513 0.708) 3.599 9.048 ( 2.054 -2.097 -0.693) 3.016 9.218 ( -5.424 6.698 -0.313) 8.625 9.296 ( -6.223 3.068 0.931) 7.000 9.422 ( 1.943 1.961 0.360) 2.784 9.463 ( -0.977 -1.545 -0.291) 1.851 9.502 ( -2.613 2.617 0.367) 3.716 9.508 ( -4.014 1.249 0.181) 4.208 9.535 ( 1.811 5.744 0.716) 6.065 9.715 ( 8.601 0.098 -2.743) 9.028 9.791 ( 2.069 -1.870 -0.354) 2.811 9.827 ( 1.591 -2.316 0.633) 2.880 9.840 ( 4.032 0.487 0.918) 4.164 9.861 ( 4.245 1.359 -1.636) 4.748 9.965 ( 0.353 2.760 4.889) 5.626 10.080 ( -0.332 4.608 -5.477) 7.165 10.207 ( -3.165 4.025 -0.599) 5.155 10.224 ( -3.341 6.260 -0.336) 7.104 10.248 ( -0.951 -2.547 0.225) 2.728 10.292 ( 1.102 1.419 -0.095) 1.799 10.324 ( 1.030 3.713 0.490) 3.885 10.341 ( 0.169 1.844 -0.998) 2.104 10.714 ( -0.647 1.500 1.306) 2.091 10.758 ( -0.770 2.555 -0.872) 2.808 10.835 ( -2.750 1.596 0.271) 3.191 10.962 ( -0.141 -1.546 -1.877) 2.436 11.029 ( -4.002 -0.919 2.289) 4.701 11.271 ( 6.736 -6.799 -0.027) 9.571======================= Grid point 73 (35/44) =======================q-point: ( 0.43 0.43 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 2.701 0.000 -0.620) 2.771 1.251 ( 0.266 0.000 0.207) 0.337 1.294 ( 4.387 0.000 -0.335) 4.399 1.322 ( 0.607 0.000 0.635) 0.878 1.331 ( 0.047 0.000 -0.283) 0.287 1.336 ( -0.091 -0.000 -0.053) 0.105 1.636 ( 3.057 0.000 -0.302) 3.072 1.648 ( 2.830 0.000 -0.501) 2.874 1.707 ( 2.048 0.000 0.425) 2.092 1.728 ( 0.825 0.000 1.460) 1.677 1.843 ( 7.832 0.000 -2.510) 8.224 1.859 ( 9.623 0.000 1.447) 9.731 1.941 ( 0.097 0.000 -1.259) 1.263 1.974 ( 2.043 0.000 -0.648) 2.144 2.006 ( -2.564 -0.000 -0.544) 2.621 2.022 ( 2.728 0.000 -1.627) 3.176 2.069 ( -5.638 -0.000 0.217) 5.642 2.107 ( 1.218 0.000 3.658) 3.855 2.116 ( 2.630 0.000 0.215) 2.638 2.146 ( -1.250 -0.000 2.682) 2.959 2.214 ( -0.730 -0.000 -2.502) 2.607 2.228 ( -3.775 -0.000 -1.289) 3.990 2.234 ( -0.140 -0.000 1.995) 2.000 2.255 ( 2.743 0.000 -2.274) 3.563 2.292 ( 0.009 0.000 -0.956) 0.956 2.376 ( 0.112 0.000 -0.883) 0.890 2.397 ( -0.803 -0.000 0.396) 0.895 2.438 ( -3.394 -0.000 -0.103) 3.395 2.504 ( -3.058 -0.000 -0.295) 3.072 2.511 ( -5.276 -0.000 -0.390) 5.290 2.597 ( 3.895 0.000 2.108) 4.429 2.631 ( 0.598 0.000 1.174) 1.317 3.167 ( 6.882 0.000 -0.607) 6.909 3.167 ( 6.837 0.000 2.421) 7.253 3.184 ( 5.054 0.000 2.371) 5.582 3.206 ( 5.497 0.000 -1.885) 5.811 3.280 ( 7.753 0.000 2.646) 8.192 3.282 ( 9.345 0.000 -3.734) 10.063 3.400 ( 2.656 0.000 0.540) 2.710 3.417 ( 1.672 0.000 0.427) 1.726 3.460 ( -2.246 -0.000 -0.279) 2.264 3.475 ( -1.796 -0.000 -0.958) 2.036 3.543 ( -7.763 -0.000 0.290) 7.769 3.563 ( -3.711 -0.000 -0.441) 3.738 3.724 ( -5.224 -0.000 -1.780) 5.519 3.769 ( -3.081 -0.000 -0.104) 3.082 3.800 ( 1.237 0.000 -0.147) 1.246 3.829 ( -1.300 -0.000 0.008) 1.300 3.867 ( 0.022 0.000 0.867) 0.867 3.870 ( 1.352 0.000 0.545) 1.458 4.405 ( 11.052 0.000 -1.088) 11.105 4.430 ( 9.424 0.000 0.359) 9.431 4.479 ( 4.999 0.000 0.310) 5.009 4.485 ( 3.842 0.000 0.017) 3.842 4.570 ( 4.251 0.000 -0.201) 4.256 4.573 ( 3.528 0.000 0.224) 3.536 4.796 ( -12.889 -0.000 0.325) 12.893 4.804 ( -14.174 -0.000 -0.159) 14.175 5.455 ( 1.382 0.000 -1.066) 1.745 5.488 ( -0.481 -0.000 1.232) 1.322 5.491 ( 0.886 0.000 0.943) 1.294 5.506 ( -0.280 -0.000 -0.555) 0.622 5.592 ( -5.663 -0.000 -1.298) 5.810 5.650 ( -6.535 -0.000 0.885) 6.595 8.632 ( -1.311 0.000 -0.049) 1.312 8.632 ( -1.298 0.000 -0.032) 1.298 8.642 ( -1.854 -0.000 0.057) 1.855 8.647 ( -2.415 -0.000 0.066) 2.416 8.894 ( -0.354 -0.000 -0.067) 0.360 8.899 ( -0.822 -0.000 0.085) 0.827 9.309 ( -1.168 -0.000 -0.224) 1.189 9.319 ( -1.578 -0.000 0.162) 1.586 9.488 ( 2.486 0.000 -0.122) 2.489 9.493 ( 2.611 0.000 0.242) 2.622 9.614 ( 0.888 0.000 -0.435) 0.988 9.624 ( -0.026 -0.000 0.288) 0.289 9.640 ( -2.512 -0.000 -0.181) 2.519 9.652 ( -2.693 -0.000 0.144) 2.697 9.718 ( 2.141 0.000 -0.009) 2.141 9.733 ( 1.193 0.000 0.101) 1.198 9.984 ( 2.786 0.000 -0.426) 2.819 9.989 ( 1.526 0.000 0.697) 1.678 10.025 ( -3.504 -0.000 -0.003) 3.504 10.029 ( -2.724 -0.000 -0.253) 2.736 10.208 ( 2.593 0.000 -0.658) 2.675 10.240 ( 0.560 0.000 1.193) 1.318 10.418 ( 1.821 0.000 0.205) 1.833 10.421 ( 1.631 0.000 0.163) 1.639 10.562 ( 3.759 0.000 -1.618) 4.093 10.575 ( 3.067 0.000 -0.668) 3.139 10.669 ( 0.886 0.000 0.112) 0.893 10.703 ( -1.137 -0.000 1.449) 1.842 10.961 ( 0.964 0.000 1.248) 1.577 11.001 ( 0.630 0.000 -0.744) 0.975 11.014 ( -3.309 -0.000 1.043) 3.469 11.023 ( -1.132 -0.000 -1.755) 2.088======================= Grid point 74 (36/44) =======================q-point: (-0.43 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 0.151 7.424 0.306) 7.432 1.210 ( -0.034 5.042 -0.669) 5.086 1.317 ( 0.488 0.921 0.128) 1.050 1.321 ( -0.950 0.824 -0.123) 1.264 1.329 ( 0.097 0.546 0.385) 0.675 1.339 ( 0.180 -0.189 -0.375) 0.457 1.639 ( -0.006 2.726 0.021) 2.726 1.647 ( 0.850 3.270 -0.628) 3.437 1.694 ( -2.392 1.798 1.947) 3.570 1.732 ( 1.159 0.693 -0.475) 1.432 1.850 ( 2.767 9.373 -0.614) 9.792 1.865 ( -2.331 8.048 -0.989) 8.437 1.944 ( 3.085 0.828 0.308) 3.209 1.966 ( -2.542 -0.106 -1.655) 3.035 1.994 ( 0.451 2.009 1.084) 2.326 2.020 ( -0.601 0.104 -1.113) 1.269 2.052 ( -0.621 -0.829 2.677) 2.870 2.099 ( -1.499 0.763 0.111) 1.685 2.139 ( 0.318 -4.412 1.086) 4.555 2.166 ( -0.859 -1.560 -1.172) 2.132 2.187 ( -1.765 0.731 -1.472) 2.412 2.221 ( 2.014 -2.242 -2.006) 3.620 2.246 ( 4.189 -1.015 2.680) 5.076 2.294 ( 2.049 0.974 -0.699) 2.374 2.322 ( -2.885 -0.007 -0.040) 2.885 2.347 ( 0.283 -0.799 -1.621) 1.830 2.420 ( -2.652 -2.373 1.081) 3.720 2.424 ( 1.567 -2.055 0.184) 2.591 2.478 ( -2.574 -2.375 -0.449) 3.531 2.491 ( 0.789 -3.275 -1.011) 3.517 2.633 ( 0.710 0.674 1.680) 1.944 2.642 ( 0.978 -0.048 0.477) 1.089 3.159 ( -0.587 6.578 2.300) 6.993 3.189 ( -3.690 4.971 1.517) 6.374 3.196 ( 1.576 5.042 -0.351) 5.295 3.231 ( 4.881 2.485 -0.963) 5.562 3.261 ( -4.433 8.208 2.178) 9.580 3.325 ( 0.809 4.883 -2.385) 5.494 3.393 ( -1.325 0.445 -0.167) 1.408 3.401 ( 1.206 3.538 -0.176) 3.742 3.460 ( 4.271 -1.958 -0.429) 4.718 3.469 ( -3.535 2.055 -0.802) 4.167 3.547 ( -0.310 -6.634 -0.218) 6.645 3.552 ( 0.766 -4.676 -0.678) 4.786 3.719 ( 1.561 -1.827 0.878) 2.559 3.742 ( -1.509 -2.520 -1.125) 3.146 3.804 ( -0.538 0.548 0.544) 0.941 3.817 ( 0.790 -0.920 -0.620) 1.362 3.863 ( 0.323 1.751 0.785) 1.946 3.871 ( -0.685 1.173 0.175) 1.369 4.427 ( -0.212 9.422 -0.133) 9.426 4.436 ( 0.712 8.402 -0.872) 8.477 4.469 ( 0.622 5.770 0.591) 5.834 4.474 ( -1.182 6.235 0.246) 6.351 4.557 ( -1.329 5.138 0.174) 5.310 4.561 ( 1.324 5.101 -0.128) 5.271 4.787 ( -0.147 -12.311 0.143) 12.313 4.789 ( 0.173 -12.696 -0.032) 12.697 5.466 ( 0.125 -0.267 0.691) 0.751 5.481 ( -1.600 -0.229 -0.420) 1.670 5.505 ( -0.559 -0.727 -0.342) 0.979 5.505 ( 1.861 -0.649 -0.224) 1.983 5.619 ( 0.327 -6.588 1.278) 6.719 5.644 ( -0.237 -7.287 -0.878) 7.344 8.632 ( -1.179 -1.180 0.089) 1.670 8.634 ( 1.136 -1.341 -0.088) 1.760 8.640 ( 0.775 -1.761 0.081) 1.925 8.642 ( -0.739 -1.884 -0.048) 2.025 8.903 ( 0.093 -1.791 0.418) 1.841 8.913 ( -0.092 -2.500 -0.420) 2.537 9.317 ( 0.364 -1.886 0.122) 1.925 9.320 ( -0.372 -2.077 -0.167) 2.117 9.488 ( 0.290 3.078 0.261) 3.102 9.493 ( -0.255 2.537 -0.216) 2.559 9.613 ( -0.291 1.010 0.452) 1.144 9.622 ( 0.247 0.319 -0.372) 0.549 9.633 ( 0.365 -1.430 0.294) 1.505 9.643 ( -0.425 -2.176 -0.494) 2.272 9.733 ( 0.011 0.952 0.239) 0.981 9.736 ( 0.030 0.746 -0.094) 0.752 9.963 ( 0.825 3.537 0.053) 3.632 9.969 ( -0.839 3.459 -0.425) 3.584 10.023 ( -0.257 -0.647 0.398) 0.802 10.026 ( 0.383 -2.549 0.103) 2.579 10.207 ( 0.136 1.989 1.886) 2.744 10.252 ( -0.364 -0.404 -1.816) 1.895 10.421 ( -0.240 1.456 0.270) 1.500 10.423 ( 0.086 1.361 0.188) 1.377 10.567 ( 0.331 2.984 -1.087) 3.193 10.568 ( -0.088 3.380 -0.883) 3.494 10.682 ( 0.310 0.512 1.582) 1.692 10.702 ( -0.032 -1.631 -0.362) 1.671 10.965 ( 0.485 1.507 0.821) 1.783 10.978 ( -1.900 0.512 0.208) 1.979 11.011 ( 2.200 -0.728 0.187) 2.325 11.035 ( -0.915 -2.781 -1.264) 3.189======================= Grid point 75 (37/44) =======================q-point: (-0.29 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 3.938 10.285 1.384) 11.100 1.138 ( 2.512 6.559 -2.167) 7.350 1.266 ( -3.609 0.839 0.012) 3.705 1.297 ( -1.820 -0.598 -0.278) 1.936 1.325 ( -0.080 1.059 0.324) 1.111 1.336 ( -0.112 0.807 -0.305) 0.870 1.539 ( -4.246 7.850 -0.259) 8.929 1.569 ( -5.056 4.230 -0.008) 6.592 1.624 ( -2.946 3.189 1.438) 4.573 1.697 ( -4.327 5.117 -1.234) 6.814 1.724 ( 1.115 7.447 0.899) 7.584 1.764 ( 1.201 6.282 -2.676) 6.933 1.841 ( -4.564 5.557 0.906) 7.248 1.882 ( -7.001 -0.922 -0.570) 7.085 1.996 ( -2.241 5.196 1.303) 5.807 2.036 ( 6.663 2.855 1.117) 7.335 2.079 ( 4.287 -0.034 -0.591) 4.328 2.124 ( -1.133 -0.912 -0.228) 1.472 2.140 ( -1.586 -1.873 0.180) 2.461 2.170 ( 0.508 -2.032 -0.779) 2.235 2.190 ( -0.152 0.353 0.475) 0.611 2.223 ( 0.263 3.268 0.818) 3.379 2.268 ( -1.870 -0.653 -0.926) 2.186 2.296 ( 2.675 -0.014 1.249) 2.952 2.352 ( -0.590 -2.936 -0.882) 3.122 2.376 ( 4.620 1.622 0.931) 4.984 2.429 ( -4.046 -5.365 0.327) 6.728 2.466 ( -0.028 -3.730 -0.638) 3.784 2.522 ( 2.370 -1.691 0.243) 2.921 2.567 ( 2.966 -3.146 -0.524) 4.356 2.623 ( -0.665 0.538 -0.123) 0.864 2.667 ( -0.925 -3.054 -1.281) 3.439 2.896 ( -13.646 13.131 1.268) 18.980 2.942 ( -13.170 8.396 1.295) 15.672 3.090 ( -4.328 5.492 -0.115) 6.993 3.100 ( -5.434 5.130 -0.216) 7.476 3.267 ( 8.371 5.594 0.675) 10.091 3.332 ( 9.967 6.007 -1.172) 11.696 3.366 ( 1.486 1.349 -0.512) 2.071 3.409 ( 3.026 2.235 -0.021) 3.762 3.464 ( -1.246 -1.851 2.018) 3.008 3.531 ( -1.170 -5.690 -1.780) 6.076 3.579 ( -1.068 -1.525 -0.291) 1.885 3.616 ( -2.036 -3.149 -0.213) 3.756 3.724 ( 2.527 2.904 -0.825) 3.937 3.766 ( 1.025 2.006 0.456) 2.298 3.777 ( -2.171 1.620 -0.371) 2.734 3.834 ( 0.771 2.473 0.686) 2.679 3.859 ( 0.291 -3.003 -1.171) 3.236 3.870 ( 0.770 -1.852 1.607) 2.570 4.193 ( -9.157 8.031 -0.109) 12.180 4.216 ( -9.005 8.567 -0.109) 12.430 4.399 ( -0.692 4.603 0.221) 4.660 4.403 ( -0.344 4.391 -0.106) 4.406 4.540 ( 6.439 5.734 -0.276) 8.626 4.561 ( 7.341 5.681 0.363) 9.290 4.950 ( 0.189 -10.394 0.021) 10.396 4.962 ( 0.737 -10.593 -0.001) 10.618 5.430 ( -3.450 -0.483 0.138) 3.486 5.466 ( -2.875 -0.262 0.064) 2.887 5.548 ( 4.194 -1.537 0.032) 4.467 5.573 ( 3.981 -2.224 -0.112) 4.562 5.738 ( 0.912 -8.158 0.247) 8.213 5.774 ( 2.661 -7.522 -0.124) 7.979 8.615 ( -2.522 -1.358 0.126) 2.868 8.643 ( -1.646 -1.676 -0.103) 2.352 8.722 ( 4.321 -4.114 -0.042) 5.966 8.729 ( 4.864 -4.318 0.047) 6.504 8.944 ( 0.330 -3.413 0.617) 3.484 8.954 ( 0.227 -3.489 -0.629) 3.552 9.340 ( -1.470 -0.581 -0.331) 1.615 9.364 ( 0.607 -2.431 0.307) 2.524 9.421 ( -1.775 3.633 0.451) 4.068 9.435 ( -1.049 2.724 -0.429) 2.951 9.559 ( -3.524 2.457 0.192) 4.301 9.592 ( -4.676 2.834 -0.135) 5.469 9.682 ( 4.238 -1.304 0.492) 4.461 9.695 ( 2.585 -2.845 -0.089) 3.845 9.717 ( 2.305 1.647 0.176) 2.838 9.743 ( 1.974 -1.135 -0.259) 2.291 9.908 ( 0.234 3.695 -0.062) 3.703 9.954 ( 3.663 3.560 -1.473) 5.316 10.016 ( -0.468 0.493 2.045) 2.155 10.074 ( -0.148 -3.940 -0.590) 3.987 10.178 ( -2.127 0.779 1.361) 2.643 10.233 ( -0.283 0.994 -1.728) 2.013 10.376 ( -1.783 3.127 0.221) 3.607 10.384 ( -1.475 3.153 0.263) 3.490 10.475 ( -2.832 5.553 -0.317) 6.242 10.493 ( -2.024 5.635 -0.512) 6.009 10.690 ( -0.755 -1.920 1.153) 2.364 10.744 ( 1.515 -2.403 -1.237) 3.099 10.907 ( -3.426 3.409 -0.592) 4.869 10.930 ( -4.358 1.378 0.757) 4.633 11.035 ( 2.250 -1.333 0.351) 2.639 11.137 ( 6.105 -3.732 -0.335) 7.163======================= Grid point 76 (38/44) =======================q-point: (-0.14 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 7.199 9.282 -0.259) 11.749 1.092 ( 3.211 6.861 -0.430) 7.588 1.214 ( -2.229 0.960 -0.297) 2.445 1.265 ( -2.759 6.840 -0.072) 7.376 1.311 ( -0.265 -1.306 0.273) 1.360 1.321 ( -0.729 -0.921 -1.052) 1.577 1.351 ( -2.460 6.515 -0.890) 7.021 1.423 ( -5.562 4.492 0.002) 7.149 1.539 ( -7.019 -0.196 0.039) 7.022 1.556 ( -3.072 4.872 -0.907) 5.831 1.651 ( 0.094 4.727 0.895) 4.812 1.692 ( -1.229 3.757 -0.825) 4.038 1.723 ( -0.840 5.719 -0.042) 5.780 1.813 ( -4.455 -0.368 1.228) 4.635 1.885 ( -0.962 5.092 -1.166) 5.311 2.020 ( -1.595 4.321 0.167) 4.609 2.115 ( 0.932 0.675 0.604) 1.300 2.151 ( 1.983 0.494 0.643) 2.142 2.158 ( 3.317 -0.834 -0.470) 3.452 2.183 ( 2.131 2.207 1.507) 3.418 2.202 ( 0.738 -1.778 2.001) 2.777 2.237 ( 5.162 1.262 -0.058) 5.314 2.258 ( -0.251 -1.784 -0.116) 1.806 2.327 ( 0.565 1.415 -0.478) 1.597 2.368 ( -2.049 -3.574 2.054) 4.603 2.378 ( 2.439 5.885 -0.040) 6.371 2.429 ( -2.435 -1.655 -0.206) 2.952 2.498 ( -4.021 5.363 0.701) 6.740 2.530 ( -4.364 -4.247 0.466) 6.107 2.574 ( -2.426 -0.552 1.383) 2.847 2.586 ( -3.306 4.644 -1.986) 6.036 2.647 ( 0.667 -1.701 -0.188) 1.837 2.681 ( -2.730 -0.487 -1.098) 2.983 2.794 ( -3.681 -4.341 -2.601) 6.258 2.972 ( -3.028 3.091 0.070) 4.327 2.984 ( -2.750 2.471 -0.660) 3.755 3.306 ( 8.951 6.970 2.343) 11.584 3.357 ( 2.468 3.647 -0.886) 4.492 3.380 ( 10.070 7.599 -0.948) 12.651 3.411 ( 2.682 3.419 -0.392) 4.363 3.477 ( -3.229 -3.985 2.662) 5.779 3.552 ( -2.014 -0.038 0.569) 2.094 3.582 ( -2.330 -1.339 -1.942) 3.315 3.596 ( -2.386 -3.701 -0.544) 4.437 3.698 ( -1.057 3.395 0.329) 3.571 3.704 ( -1.097 3.379 -0.194) 3.558 3.759 ( 0.494 0.639 0.095) 0.814 3.811 ( -2.731 1.962 -0.053) 3.363 3.872 ( -0.545 -0.065 -0.887) 1.043 3.901 ( 0.234 -0.693 0.220) 0.763 4.023 ( -4.211 1.366 -0.948) 4.528 4.073 ( -2.187 0.546 1.286) 2.596 4.343 ( 0.570 3.232 0.111) 3.283 4.348 ( 0.695 3.452 0.012) 3.521 4.551 ( 5.204 4.373 -0.359) 6.807 4.587 ( 6.288 4.644 0.370) 7.826 5.066 ( -1.565 -7.806 0.085) 7.962 5.087 ( -1.201 -7.879 -0.153) 7.972 5.393 ( -2.763 -0.369 0.320) 2.806 5.433 ( -2.200 -0.152 -0.223) 2.217 5.619 ( 3.678 -0.279 0.371) 3.707 5.654 ( 3.094 -1.745 0.111) 3.554 5.842 ( -0.429 -5.935 -0.538) 5.975 5.891 ( 1.246 -4.948 0.520) 5.129 8.605 ( -2.179 -1.839 0.261) 2.863 8.643 ( -1.830 -1.870 -0.258) 2.629 8.845 ( 4.248 -4.233 -0.069) 5.998 8.863 ( 4.719 -4.398 0.056) 6.451 9.006 ( 0.667 -4.800 -0.056) 4.846 9.017 ( 1.646 -4.236 0.088) 4.545 9.250 ( -3.504 5.920 -0.281) 6.885 9.294 ( -4.639 5.932 0.423) 7.543 9.403 ( -2.198 0.084 0.191) 2.208 9.429 ( -2.238 0.114 -0.158) 2.247 9.481 ( -1.579 0.984 0.003) 1.860 9.486 ( -2.066 1.471 -0.089) 2.538 9.713 ( 6.400 5.075 1.339) 8.277 9.780 ( 0.903 -2.687 0.898) 2.974 9.794 ( 0.483 -2.902 -0.618) 3.006 9.802 ( 6.639 -2.875 -0.458) 7.249 9.893 ( 0.700 -0.675 -0.527) 1.106 9.941 ( 3.909 3.082 -3.698) 6.201 10.026 ( 3.103 1.718 3.241) 4.805 10.106 ( -0.420 -0.432 -1.027) 1.191 10.151 ( -2.170 -2.037 0.524) 3.022 10.225 ( -0.693 -0.109 -0.336) 0.777 10.276 ( -3.670 6.296 0.616) 7.314 10.286 ( -4.332 4.064 0.090) 5.940 10.385 ( -0.690 3.292 0.170) 3.368 10.398 ( -0.987 3.716 -0.236) 3.852 10.710 ( -0.606 -1.682 0.556) 1.872 10.762 ( -1.754 1.296 -0.973) 2.388 10.829 ( -1.351 1.533 0.615) 2.134 10.843 ( -4.583 0.095 -1.491) 4.821 11.091 ( 3.392 0.013 0.985) 3.532 11.266 ( 4.196 -4.127 -0.334) 5.896======================= Grid point 81 (39/44) =======================q-point: (-0.43 -0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -3.045 -0.000 -0.436) 3.076 1.256 ( -0.173 -0.000 -0.064) 0.185 1.289 ( -3.267 -0.000 -0.149) 3.270 1.322 ( -1.783 -0.000 0.737) 1.930 1.328 ( 0.030 0.000 -0.088) 0.093 1.337 ( 0.345 0.000 -0.281) 0.445 1.645 ( -2.833 -0.000 -0.079) 2.835 1.648 ( -1.762 -0.000 -1.364) 2.229 1.695 ( -2.691 -0.000 1.168) 2.933 1.732 ( -0.073 -0.000 1.406) 1.408 1.822 ( -10.273 -0.000 -1.211) 10.344 1.889 ( -5.683 -0.000 -0.556) 5.711 1.945 ( -7.320 -0.000 0.724) 7.355 1.954 ( -1.640 -0.000 -2.181) 2.729 2.002 ( 1.499 0.000 -0.267) 1.523 2.015 ( 1.208 0.000 -0.107) 1.212 2.066 ( 2.242 0.000 1.783) 2.865 2.109 ( 3.887 0.000 -1.865) 4.311 2.145 ( 5.231 0.000 0.950) 5.317 2.145 ( 0.269 0.000 3.529) 3.540 2.159 ( -2.635 -0.000 1.301) 2.939 2.243 ( -3.103 -0.000 -1.861) 3.618 2.251 ( 2.996 0.000 -1.795) 3.493 2.274 ( -5.623 -0.000 -2.916) 6.334 2.322 ( -3.877 -0.000 -2.312) 4.514 2.335 ( 4.339 0.000 2.379) 4.948 2.412 ( 2.026 0.000 -0.959) 2.241 2.418 ( 3.098 0.000 1.426) 3.411 2.482 ( 2.726 0.000 1.243) 2.996 2.493 ( 4.839 0.000 1.006) 4.943 2.639 ( -0.896 -0.000 -0.996) 1.340 2.646 ( -1.061 -0.000 0.648) 1.243 3.142 ( -8.213 -0.000 2.354) 8.544 3.154 ( -7.758 -0.000 1.768) 7.957 3.193 ( -6.663 -0.000 0.150) 6.665 3.224 ( -9.490 -0.000 0.736) 9.518 3.225 ( -3.443 -0.000 -1.299) 3.680 3.336 ( -3.209 -0.000 -1.659) 3.612 3.406 ( -4.724 -0.000 -0.098) 4.725 3.416 ( 1.085 0.000 0.697) 1.290 3.466 ( -6.277 -0.000 -0.531) 6.299 3.474 ( 6.400 0.000 -1.102) 6.495 3.549 ( 5.313 0.000 0.622) 5.349 3.554 ( 5.658 0.000 -0.558) 5.685 3.716 ( 4.742 0.000 -1.185) 4.888 3.770 ( 4.502 0.000 -0.396) 4.520 3.804 ( -0.723 -0.000 -0.453) 0.854 3.823 ( 1.066 0.000 0.494) 1.175 3.869 ( -0.647 -0.000 0.718) 0.966 3.869 ( -1.396 -0.000 0.529) 1.493 4.400 ( -12.605 -0.000 -0.638) 12.621 4.445 ( -7.328 -0.000 -1.054) 7.403 4.474 ( -6.468 -0.000 0.909) 6.531 4.477 ( -2.760 -0.000 0.553) 2.815 4.566 ( -4.173 -0.000 0.099) 4.174 4.575 ( -3.774 -0.000 -0.018) 3.774 4.799 ( 13.900 0.000 0.316) 13.904 4.803 ( 13.060 0.000 -0.273) 13.062 5.442 ( -1.643 -0.000 0.018) 1.643 5.490 ( 0.295 0.000 0.743) 0.800 5.497 ( -0.332 -0.000 0.282) 0.436 5.510 ( 0.384 0.000 -0.383) 0.543 5.588 ( 4.738 0.000 -1.013) 4.845 5.654 ( 7.154 0.000 0.551) 7.175 8.629 ( 1.261 0.000 0.065) 1.263 8.632 ( 1.168 0.000 0.007) 1.168 8.644 ( 2.073 0.000 -0.084) 2.074 8.647 ( 2.368 0.000 0.057) 2.369 8.894 ( 0.455 0.000 -0.069) 0.460 8.899 ( 0.723 0.000 0.081) 0.727 9.308 ( 0.907 0.000 -0.146) 0.919 9.320 ( 1.827 0.000 0.098) 1.829 9.487 ( -2.550 -0.000 0.018) 2.551 9.496 ( -2.488 -0.000 0.036) 2.488 9.610 ( -1.112 -0.000 -0.079) 1.115 9.628 ( 0.267 0.000 -0.089) 0.281 9.639 ( 2.192 0.000 -0.074) 2.194 9.651 ( 2.861 0.000 0.200) 2.868 9.722 ( -1.733 -0.000 -0.276) 1.754 9.731 ( -1.729 -0.000 0.300) 1.755 9.976 ( -2.600 -0.000 0.217) 2.609 9.999 ( -1.254 -0.000 -0.083) 1.257 10.024 ( 3.686 0.000 0.136) 3.688 10.026 ( 1.977 0.000 -0.166) 1.984 10.202 ( -3.212 -0.000 -0.101) 3.214 10.250 ( 0.574 0.000 0.430) 0.717 10.418 ( -1.830 -0.000 0.229) 1.845 10.419 ( -1.822 -0.000 0.249) 1.839 10.556 ( -3.437 -0.000 -1.365) 3.698 10.576 ( -2.841 -0.000 -0.619) 2.908 10.670 ( -1.826 -0.000 0.305) 1.851 10.713 ( 1.882 0.000 0.608) 1.978 10.968 ( -0.107 -0.000 1.747) 1.750 10.988 ( -1.422 -0.000 -1.030) 1.756 10.999 ( 1.218 0.000 0.465) 1.304 11.041 ( 3.061 0.000 -1.190) 3.284======================= Grid point 82 (40/44) =======================q-point: (-0.29 -0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -6.990 -3.247 -0.182) 7.709 1.210 ( -4.188 0.943 -0.516) 4.324 1.252 ( 1.597 3.461 -0.452) 3.839 1.269 ( 0.538 4.041 0.296) 4.087 1.333 ( -0.269 0.592 -0.109) 0.660 1.338 ( -0.498 0.069 -0.004) 0.503 1.539 ( -7.500 5.014 -1.488) 9.144 1.578 ( -4.032 5.815 0.586) 7.100 1.617 ( -4.100 3.097 0.428) 5.156 1.690 ( -4.736 2.608 -1.608) 5.640 1.720 ( -6.577 -2.578 1.057) 7.143 1.770 ( -7.864 1.411 -0.415) 8.000 1.837 ( -4.297 4.572 0.920) 6.342 1.884 ( -0.159 4.475 -1.928) 4.876 1.999 ( -4.433 -2.446 1.431) 5.261 2.047 ( -4.893 -3.617 -1.315) 6.225 2.092 ( 2.946 3.869 1.817) 5.191 2.105 ( 0.859 -0.726 -0.568) 1.260 2.145 ( -2.852 -0.008 1.780) 3.362 2.175 ( -1.145 1.920 -0.174) 2.243 2.196 ( -0.523 0.774 -0.831) 1.250 2.217 ( 1.219 -2.426 -1.023) 2.901 2.229 ( -0.898 -1.031 2.268) 2.648 2.246 ( -3.562 -5.987 0.828) 7.015 2.287 ( 1.665 -1.326 -1.013) 2.357 2.413 ( -0.882 -2.115 0.280) 2.309 2.439 ( 7.641 2.913 0.082) 8.178 2.489 ( 4.127 -1.182 0.434) 4.315 2.561 ( 4.528 -1.692 0.608) 4.872 2.570 ( 2.638 -1.507 0.133) 3.040 2.597 ( -2.266 1.063 -0.195) 2.510 2.640 ( 1.017 -0.125 -2.837) 3.016 2.893 ( -12.835 11.032 1.477) 16.989 2.932 ( -8.624 12.489 0.920) 15.205 3.066 ( -5.971 2.955 -0.891) 6.722 3.085 ( -5.874 3.449 0.682) 6.846 3.242 ( -7.342 -9.548 0.543) 12.057 3.315 ( -5.908 -6.682 -1.017) 8.977 3.364 ( -3.117 -2.853 -0.391) 4.244 3.386 ( -3.384 -1.443 -0.736) 3.752 3.479 ( 1.945 -0.596 2.020) 2.867 3.548 ( 5.821 1.920 -1.395) 6.286 3.594 ( 3.267 0.460 0.370) 3.320 3.630 ( 4.536 1.919 -0.276) 4.933 3.739 ( -2.529 -0.418 -0.412) 2.596 3.774 ( -2.619 2.996 -0.189) 3.984 3.814 ( 1.805 1.363 -0.621) 2.346 3.817 ( 0.277 -2.595 -0.924) 2.769 3.855 ( -0.780 -0.930 1.078) 1.623 3.894 ( 2.720 2.078 0.971) 3.558 4.175 ( -8.166 6.566 -0.159) 10.480 4.224 ( -8.325 9.765 -0.243) 12.834 4.411 ( -3.560 1.034 0.151) 3.711 4.421 ( -3.296 1.620 0.107) 3.674 4.552 ( -5.155 -4.709 -0.044) 6.983 4.569 ( -4.899 -6.578 0.026) 8.201 4.967 ( 10.827 0.651 -0.156) 10.848 4.976 ( 11.463 0.466 0.194) 11.474 5.412 ( -0.555 1.859 0.063) 1.941 5.453 ( -0.724 2.047 0.189) 2.179 5.553 ( 1.111 -4.799 -0.094) 4.927 5.558 ( 1.528 -3.925 0.290) 4.221 5.697 ( 6.040 -3.264 -0.441) 6.879 5.781 ( 7.578 -2.361 0.328) 7.944 8.616 ( 1.520 2.485 0.182) 2.919 8.647 ( 1.946 2.025 -0.155) 2.812 8.720 ( 4.214 -4.560 0.001) 6.209 8.740 ( 4.922 -4.263 0.018) 6.512 8.916 ( 0.973 -1.711 -0.080) 1.970 8.926 ( 1.189 -1.974 0.089) 2.306 9.331 ( 0.983 0.000 0.029) 0.983 9.358 ( 1.744 -0.735 -0.044) 1.893 9.430 ( -2.876 2.425 0.210) 3.768 9.439 ( -2.456 1.581 -0.171) 2.926 9.565 ( -2.166 3.694 -0.414) 4.302 9.595 ( -2.418 4.516 0.462) 5.144 9.677 ( 0.439 -2.572 0.295) 2.626 9.696 ( 1.222 -2.217 -0.070) 2.533 9.733 ( 1.663 -3.522 -0.148) 3.898 9.739 ( 1.839 -2.409 0.149) 3.034 9.915 ( -3.836 1.374 -0.365) 4.091 9.999 ( -2.473 -3.636 -0.010) 4.397 10.035 ( 0.605 2.288 0.088) 2.368 10.076 ( 5.432 1.688 0.275) 5.695 10.157 ( -1.617 0.460 0.079) 1.683 10.243 ( -0.485 1.278 -0.285) 1.396 10.371 ( -3.578 1.487 0.261) 3.884 10.381 ( -3.211 0.938 0.103) 3.347 10.471 ( -5.515 2.334 -0.617) 6.020 10.495 ( -5.657 2.369 -0.215) 6.137 10.658 ( -0.561 -0.900 0.043) 1.061 10.748 ( 1.829 -0.781 -0.070) 1.990 10.914 ( -2.747 3.846 0.570) 4.761 10.949 ( 0.121 6.208 -0.610) 6.239 11.026 ( 0.856 -3.814 0.565) 3.950 11.147 ( 4.663 -5.622 -0.532) 7.323======================= Grid point 83 (41/44) =======================q-point: (-0.14 -0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -9.389 1.300 0.861) 9.517 1.143 ( -10.754 -6.472 0.242) 12.554 1.214 ( 3.280 3.948 -0.452) 5.153 1.260 ( 1.747 2.311 -0.657) 2.971 1.305 ( -0.961 2.470 -0.622) 2.722 1.326 ( 0.501 0.549 -0.633) 0.976 1.366 ( -6.224 2.027 -2.386) 6.967 1.409 ( -4.556 7.501 -2.033) 9.009 1.512 ( -1.960 5.394 1.412) 5.910 1.583 ( -2.105 4.744 -1.144) 5.315 1.651 ( -5.703 0.325 1.128) 5.822 1.679 ( -7.355 -3.780 0.535) 8.286 1.706 ( -3.338 5.169 0.270) 6.158 1.834 ( 2.188 4.392 -0.796) 4.971 1.933 ( -9.509 -1.773 -0.894) 9.714 1.960 ( -3.167 2.967 0.656) 4.389 2.082 ( -7.925 -5.750 4.375) 10.724 2.129 ( 0.805 -1.968 -0.156) 2.132 2.137 ( -0.995 -0.431 0.818) 1.358 2.169 ( 0.624 -2.573 0.173) 2.654 2.207 ( 1.563 -2.068 0.959) 2.764 2.242 ( 0.380 -1.051 -1.116) 1.579 2.256 ( -0.812 -2.650 0.965) 2.935 2.315 ( 0.792 -3.512 1.548) 3.919 2.338 ( 1.863 -1.872 -0.558) 2.699 2.408 ( -0.130 0.929 -0.003) 0.938 2.448 ( -2.292 2.250 -0.302) 3.226 2.501 ( -1.528 4.650 0.156) 4.897 2.513 ( -0.607 5.031 1.376) 5.251 2.616 ( 0.231 4.575 0.273) 4.589 2.629 ( 2.558 -0.241 0.300) 2.587 2.646 ( -0.026 -3.276 -0.863) 3.387 2.688 ( 0.044 2.643 -1.621) 3.100 2.735 ( 2.641 6.832 -3.333) 8.047 2.967 ( -2.759 1.544 -0.751) 3.250 2.978 ( -2.603 2.727 0.504) 3.804 3.279 ( -8.302 -10.717 1.924) 13.692 3.337 ( -5.992 -8.338 0.369) 10.275 3.360 ( -2.318 -2.655 -1.404) 3.794 3.384 ( -4.487 -4.846 -0.484) 6.622 3.507 ( 2.736 1.629 2.012) 3.767 3.572 ( 0.558 2.998 -0.626) 3.113 3.599 ( 3.777 2.655 -0.702) 4.670 3.623 ( 1.722 4.345 -0.620) 4.715 3.690 ( -3.548 0.996 -0.075) 3.686 3.706 ( -2.416 0.337 0.126) 2.443 3.803 ( -1.370 4.829 0.019) 5.019 3.812 ( -1.798 3.774 0.242) 4.187 3.853 ( 0.057 -1.447 -1.295) 1.942 3.877 ( -0.519 -2.354 0.827) 2.548 4.032 ( -1.520 6.197 -0.384) 6.392 4.086 ( 0.654 1.426 0.834) 1.776 4.353 ( -2.869 0.484 0.242) 2.919 4.362 ( -2.917 0.490 -0.092) 2.960 4.551 ( -4.660 -4.803 -0.006) 6.692 4.592 ( -4.223 -5.699 -0.083) 7.093 5.075 ( 7.805 2.245 0.123) 8.122 5.095 ( 8.259 2.079 -0.133) 8.517 5.383 ( 0.018 1.630 0.103) 1.633 5.424 ( -0.172 1.374 -0.032) 1.386 5.627 ( -0.204 -4.463 0.012) 4.467 5.638 ( 1.852 -3.364 0.451) 3.866 5.809 ( 4.398 -2.043 -0.181) 4.853 5.899 ( 5.504 -1.002 0.208) 5.598 8.608 ( 2.036 2.337 0.289) 3.113 8.644 ( 1.911 2.105 -0.280) 2.857 8.847 ( 4.514 -4.186 -0.056) 6.157 8.871 ( 4.753 -4.036 0.046) 6.236 8.967 ( 1.868 -3.138 0.035) 3.651 8.991 ( 2.694 -3.983 0.036) 4.808 9.276 ( -3.159 5.248 0.044) 6.125 9.303 ( -4.717 4.507 0.045) 6.524 9.397 ( -0.385 1.623 0.075) 1.670 9.417 ( -1.097 1.544 -0.154) 1.900 9.488 ( -0.371 1.801 -0.492) 1.903 9.492 ( -1.573 3.136 0.389) 3.530 9.704 ( -3.790 -4.848 1.223) 6.274 9.765 ( 1.612 -3.711 -0.249) 4.054 9.818 ( 4.301 -2.078 0.732) 4.832 9.834 ( 3.603 -2.829 0.638) 4.626 9.855 ( -2.731 -1.098 -1.922) 3.515 9.985 ( -1.954 -0.136 -1.309) 2.356 10.036 ( -1.600 -4.582 0.743) 4.910 10.119 ( 4.274 2.567 -0.313) 4.995 10.156 ( 2.730 1.938 -0.012) 3.348 10.208 ( -2.271 0.962 -0.045) 2.467 10.265 ( -6.105 3.793 0.185) 7.190 10.297 ( -3.939 3.353 -0.114) 5.174 10.385 ( -3.249 0.538 0.220) 3.300 10.396 ( -3.887 0.960 -0.273) 4.013 10.677 ( 0.410 -1.868 0.256) 1.929 10.752 ( -1.951 1.015 0.153) 2.205 10.814 ( -3.452 4.089 0.441) 5.370 10.880 ( 2.219 4.166 -1.425) 4.930 11.089 ( 0.068 -3.750 0.751) 3.825 11.279 ( 4.733 -3.223 -0.407) 5.740======================= Grid point 89 (42/44) =======================q-point: (-0.29 -0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -12.927 -0.000 1.459) 13.009 1.141 ( -6.022 -0.000 -1.296) 6.159 1.284 ( 0.698 0.000 -0.938) 1.169 1.310 ( 0.180 0.000 1.218) 1.232 1.330 ( -0.259 -0.000 -0.292) 0.390 1.336 ( -0.248 -0.000 -0.464) 0.526 1.452 ( -11.789 -0.000 -3.945) 12.431 1.537 ( -8.632 -0.000 -3.214) 9.211 1.595 ( -3.868 -0.000 2.639) 4.683 1.600 ( -3.540 -0.000 -0.231) 3.547 1.646 ( -5.979 -0.000 0.022) 5.979 1.690 ( -6.254 -0.000 -3.132) 6.994 1.756 ( -5.725 -0.000 5.574) 7.991 1.812 ( -14.412 -0.000 2.416) 14.614 1.961 ( -4.665 -0.000 1.533) 4.910 2.003 ( -0.241 -0.000 -2.330) 2.342 2.031 ( -6.678 -0.000 2.939) 7.296 2.072 ( -4.806 -0.000 0.027) 4.806 2.089 ( -1.786 -0.000 -0.218) 1.799 2.175 ( 1.255 0.000 2.639) 2.922 2.188 ( -1.023 -0.000 -1.615) 1.912 2.219 ( 2.173 0.000 0.806) 2.318 2.248 ( 3.519 0.000 0.898) 3.632 2.255 ( 1.939 0.000 -1.126) 2.242 2.311 ( 0.927 0.000 -1.004) 1.367 2.368 ( -0.623 -0.000 -3.733) 3.784 2.467 ( -2.520 -0.000 1.677) 3.027 2.546 ( -2.497 -0.000 -2.346) 3.427 2.604 ( 8.492 0.000 -0.347) 8.499 2.610 ( 5.563 0.000 0.152) 5.565 2.646 ( 3.695 0.000 -0.124) 3.697 2.662 ( 2.987 0.000 0.145) 2.990 2.866 ( -9.410 -0.000 3.393) 10.003 2.947 ( -13.333 -0.000 -4.780) 14.164 2.966 ( -4.740 -0.000 3.652) 5.984 3.015 ( -6.152 -0.000 0.295) 6.159 3.023 ( -5.016 -0.000 -0.676) 5.061 3.109 ( -8.479 -0.000 -1.146) 8.556 3.290 ( -4.681 -0.000 -1.142) 4.818 3.320 ( -4.425 -0.000 0.557) 4.460 3.522 ( 2.574 0.000 3.848) 4.630 3.620 ( 3.096 0.000 -1.780) 3.571 3.657 ( 2.056 0.000 -1.086) 2.325 3.669 ( 0.490 0.000 1.726) 1.794 3.727 ( -0.699 -0.000 -0.466) 0.840 3.752 ( -1.723 -0.000 -0.426) 1.775 3.775 ( -3.237 -0.000 -0.839) 3.344 3.782 ( -1.807 -0.000 0.372) 1.845 3.888 ( 2.339 0.000 0.831) 2.483 3.946 ( 0.774 0.000 -0.095) 0.780 4.105 ( -8.187 -0.000 0.320) 8.193 4.197 ( -7.545 -0.000 -1.357) 7.666 4.355 ( -4.324 -0.000 0.847) 4.406 4.362 ( -5.187 -0.000 -0.227) 5.192 4.436 ( -4.649 -0.000 0.235) 4.655 4.441 ( -3.453 -0.000 -0.136) 3.456 5.131 ( 10.708 0.000 -0.211) 10.710 5.149 ( 11.004 0.000 0.200) 11.006 5.443 ( 1.189 0.000 0.125) 1.196 5.491 ( 0.376 0.000 0.087) 0.386 5.504 ( 0.324 0.000 0.662) 0.737 5.533 ( 1.226 0.000 -0.973) 1.565 5.780 ( 7.658 0.000 0.806) 7.700 5.883 ( 8.678 0.000 -0.305) 8.684 8.710 ( 4.460 0.000 0.178) 4.464 8.718 ( 4.938 0.000 0.231) 4.944 8.739 ( 4.773 0.000 -0.483) 4.797 8.751 ( 4.864 0.000 0.136) 4.866 8.922 ( 1.607 0.000 -0.180) 1.618 8.930 ( 1.307 0.000 0.188) 1.321 9.364 ( 2.682 0.000 0.251) 2.694 9.389 ( 2.796 0.000 -0.311) 2.814 9.400 ( -3.811 -0.000 -0.018) 3.811 9.418 ( -2.066 -0.000 0.207) 2.076 9.576 ( -1.317 -0.000 0.027) 1.317 9.615 ( -2.545 -0.000 0.703) 2.640 9.630 ( -5.848 -0.000 0.281) 5.855 9.672 ( -0.395 -0.000 -1.407) 1.462 9.721 ( 2.150 0.000 0.981) 2.363 9.742 ( 3.348 0.000 -0.012) 3.348 9.867 ( -4.064 -0.000 -0.293) 4.075 9.915 ( -4.178 -0.000 -0.518) 4.210 10.013 ( -5.454 -0.000 2.624) 6.052 10.168 ( 5.233 0.000 0.185) 5.236 10.184 ( 4.633 0.000 -0.695) 4.685 10.241 ( -0.563 -0.000 -3.579) 3.623 10.328 ( -4.654 -0.000 0.135) 4.656 10.331 ( -4.356 -0.000 0.139) 4.358 10.392 ( -7.467 -0.000 -0.614) 7.492 10.415 ( -7.478 -0.000 -0.188) 7.481 10.652 ( 0.214 0.000 0.719) 0.751 10.758 ( -0.051 -0.000 0.259) 0.264 10.940 ( -1.760 -0.000 0.169) 1.768 10.965 ( -2.277 -0.000 0.310) 2.298 11.068 ( 5.504 0.000 0.011) 5.504 11.121 ( 2.806 0.000 -0.558) 2.861======================= Grid point 90 (43/44) =======================q-point: (-0.14 -0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( -15.146 -5.891 3.642) 16.655 0.985 ( -15.491 4.446 3.804) 16.559 1.227 ( -6.928 1.947 -8.045) 10.794 1.282 ( -0.438 1.688 -0.596) 1.843 1.310 ( -1.061 0.964 0.181) 1.444 1.329 ( -1.160 0.908 -0.010) 1.473 1.337 ( 0.041 -0.775 -0.417) 0.881 1.395 ( -8.571 1.491 -6.574) 10.904 1.472 ( -12.162 -3.458 2.908) 12.974 1.565 ( -4.774 -1.931 1.762) 5.443 1.582 ( -1.011 2.745 2.393) 3.779 1.598 ( -4.578 2.017 -0.870) 5.078 1.671 ( -6.322 -3.943 -0.714) 7.485 1.749 ( -6.690 -5.935 5.032) 10.262 1.832 ( -6.366 3.224 1.496) 7.291 1.929 ( -0.755 4.031 1.622) 4.410 2.003 ( -2.913 0.276 -1.356) 3.225 2.064 ( -4.739 -4.799 0.454) 6.760 2.105 ( -0.120 -2.904 0.596) 2.967 2.163 ( -1.238 0.080 -1.562) 1.995 2.180 ( -0.725 3.015 -1.233) 3.337 2.206 ( -1.231 -1.231 2.099) 2.727 2.255 ( 1.170 -1.780 0.237) 2.143 2.307 ( -1.580 -2.742 -5.302) 6.174 2.341 ( 4.100 -0.588 -0.646) 4.192 2.392 ( 0.316 -0.996 -0.850) 1.347 2.421 ( -1.140 1.140 -0.573) 1.711 2.498 ( -5.564 0.206 -0.987) 5.655 2.545 ( -6.167 5.279 1.698) 8.294 2.644 ( 4.147 5.424 0.369) 6.838 2.698 ( 2.935 -0.143 0.097) 2.940 2.718 ( 5.619 0.159 -0.980) 5.706 2.765 ( 3.721 2.589 -0.244) 4.540 2.853 ( 2.068 4.216 0.241) 4.702 2.926 ( -6.467 -5.469 0.145) 8.471 2.961 ( -3.833 -1.987 -0.428) 4.339 2.994 ( -4.662 -2.908 0.830) 5.557 3.081 ( -7.025 -9.363 1.383) 11.787 3.240 ( -6.776 -3.823 0.070) 7.780 3.263 ( -7.278 -3.436 -0.409) 8.059 3.550 ( -0.153 -0.143 3.163) 3.170 3.595 ( -4.060 -0.075 -0.522) 4.094 3.638 ( -1.717 2.013 1.386) 2.987 3.671 ( -1.628 2.728 0.330) 3.193 3.688 ( 2.365 2.411 -1.686) 3.775 3.701 ( 1.730 3.098 -1.078) 3.708 3.798 ( 0.471 -3.017 -0.738) 3.141 3.824 ( -0.066 -3.819 0.362) 3.837 3.863 ( -2.334 5.861 -0.198) 6.312 3.874 ( -0.853 3.925 0.680) 4.074 4.062 ( -3.445 -3.296 -0.901) 4.853 4.091 ( -1.718 1.672 0.581) 2.466 4.293 ( -5.101 -0.527 0.154) 5.130 4.299 ( -4.797 -0.724 -0.114) 4.852 4.418 ( -2.836 -3.280 0.544) 4.370 4.448 ( -2.616 -4.847 -0.307) 5.516 5.242 ( 8.727 3.293 0.154) 9.329 5.262 ( 8.525 3.057 -0.194) 9.058 5.429 ( 1.522 3.074 -0.191) 3.436 5.460 ( 0.956 2.654 0.270) 2.834 5.558 ( -0.493 -4.201 0.010) 4.230 5.593 ( 0.733 -4.903 -0.550) 4.988 5.882 ( 6.554 0.379 1.806) 6.809 5.990 ( 7.208 0.828 -0.706) 7.290 8.715 ( 5.262 5.144 0.219) 7.362 8.743 ( 4.829 4.943 -0.185) 6.912 8.853 ( 4.921 -4.279 0.028) 6.521 8.880 ( 4.759 -4.285 -0.025) 6.404 8.962 ( 2.320 -2.262 0.079) 3.241 8.972 ( 1.819 -3.521 -0.043) 3.963 9.295 ( -5.498 4.846 -0.152) 7.330 9.330 ( -1.080 6.990 0.554) 7.094 9.422 ( -0.237 -0.711 -0.229) 0.784 9.428 ( 1.729 0.562 -0.083) 1.820 9.515 ( -1.795 3.839 -0.586) 4.278 9.526 ( -1.885 4.189 -0.099) 4.595 9.556 ( -7.976 -3.549 2.512) 9.084 9.705 ( -2.006 -6.264 -2.684) 7.104 9.764 ( -0.545 -3.009 1.060) 3.237 9.840 ( 2.950 -3.090 -0.001) 4.272 9.849 ( 1.916 -1.938 0.563) 2.783 9.891 ( -3.364 -4.885 -0.147) 5.933 9.957 ( -3.290 -1.869 1.459) 4.056 10.182 ( -3.344 0.501 -2.737) 4.350 10.192 ( -2.331 4.606 -0.252) 5.168 10.218 ( -6.390 3.504 -1.466) 7.433 10.259 ( 5.166 1.871 -1.415) 5.674 10.290 ( 1.409 -0.535 -0.999) 1.808 10.313 ( -5.434 -2.296 0.122) 5.900 10.325 ( -4.906 -0.466 -0.386) 4.943 10.666 ( 0.394 -1.265 0.957) 1.634 10.737 ( -2.421 0.990 0.636) 2.692 10.840 ( -3.032 5.116 0.374) 5.959 10.980 ( -0.685 -0.431 -0.244) 0.845 11.036 ( 2.335 3.928 0.419) 4.589 11.287 ( 6.074 -6.812 -0.039) 9.127======================= Grid point 97 (44/44) =======================q-point: (-0.14 -0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( -14.821 -0.000 10.150) 17.963 0.809 ( -19.705 -0.000 8.221) 21.351 1.092 ( -19.679 -0.000 4.921) 20.285 1.107 ( -9.182 -0.000 -12.553) 15.553 1.233 ( -19.801 -0.000 3.883) 20.178 1.300 ( 0.834 0.000 -0.255) 0.872 1.325 ( -1.128 -0.000 0.681) 1.317 1.331 ( -0.432 -0.000 -0.073) 0.438 1.334 ( -0.397 -0.000 0.002) 0.397 1.483 ( -4.916 -0.000 1.682) 5.195 1.549 ( -2.855 -0.000 -2.949) 4.104 1.565 ( 0.306 0.000 -2.323) 2.343 1.588 ( -1.990 -0.000 -1.103) 2.275 1.682 ( -1.022 -0.000 0.212) 1.044 1.830 ( -4.595 -0.000 0.337) 4.608 1.866 ( -6.249 -0.000 -0.822) 6.303 1.940 ( -3.104 -0.000 1.359) 3.388 2.030 ( -4.527 -0.000 -5.678) 7.262 2.081 ( 0.871 0.000 1.013) 1.336 2.131 ( -2.267 -0.000 -4.957) 5.451 2.137 ( -1.245 -0.000 -2.946) 3.198 2.203 ( -1.070 -0.000 2.841) 3.036 2.242 ( -2.272 -0.000 -2.156) 3.132 2.242 ( -1.166 -0.000 -0.583) 1.303 2.363 ( -3.183 -0.000 -0.922) 3.314 2.409 ( 2.914 0.000 -1.134) 3.126 2.439 ( -0.465 -0.000 -0.004) 0.465 2.483 ( 4.548 0.000 0.011) 4.548 2.524 ( -7.702 -0.000 -3.026) 8.275 2.526 ( -7.093 -0.000 1.259) 7.204 2.752 ( 3.804 0.000 0.647) 3.858 2.807 ( 5.138 0.000 0.391) 5.152 2.819 ( 3.948 0.000 2.589) 4.721 2.823 ( -0.119 -0.000 0.591) 0.603 2.935 ( 0.555 0.000 3.123) 3.172 2.943 ( 0.191 0.000 -1.023) 1.040 2.966 ( -1.969 -0.000 0.517) 2.036 2.987 ( 3.537 0.000 4.068) 5.391 3.103 ( -11.295 -0.000 0.879) 11.329 3.110 ( -6.884 -0.000 -0.122) 6.886 3.498 ( -6.356 -0.000 1.041) 6.441 3.500 ( -7.175 -0.000 -0.747) 7.213 3.644 ( 0.469 0.000 3.922) 3.950 3.733 ( 1.539 0.000 0.647) 1.670 3.742 ( 3.638 0.000 -3.333) 4.934 3.764 ( 0.879 0.000 0.230) 0.909 3.772 ( 0.843 0.000 -0.571) 1.018 3.775 ( 1.107 0.000 -0.468) 1.201 3.894 ( -1.558 -0.000 0.994) 1.848 3.897 ( -2.334 -0.000 -0.816) 2.473 3.944 ( -4.335 -0.000 1.134) 4.481 4.029 ( -4.681 -0.000 -3.098) 5.613 4.219 ( -5.127 -0.000 -0.200) 5.130 4.223 ( -4.845 -0.000 0.138) 4.847 4.403 ( 1.347 0.000 1.550) 2.053 4.415 ( 1.220 0.000 -0.088) 1.223 5.373 ( 6.577 0.000 0.352) 6.587 5.383 ( 5.991 0.000 -0.495) 6.011 5.481 ( 1.308 0.000 -0.305) 1.343 5.507 ( 0.405 0.000 0.138) 0.428 5.509 ( -0.174 -0.000 0.468) 0.499 5.549 ( -0.002 -0.000 -1.828) 1.828 5.987 ( 6.976 0.000 3.797) 7.942 6.092 ( 6.420 0.000 -1.059) 6.507 8.860 ( 5.634 0.000 0.352) 5.645 8.868 ( 5.121 0.000 -0.052) 5.121 8.879 ( 5.028 0.000 -0.382) 5.043 8.886 ( 4.352 0.000 0.132) 4.354 8.958 ( 0.501 0.000 0.100) 0.511 8.968 ( 1.430 0.000 -0.142) 1.437 9.266 ( -14.117 -0.000 1.059) 14.156 9.288 ( -4.917 -0.000 -1.484) 5.136 9.422 ( 0.908 0.000 1.509) 1.761 9.437 ( 1.278 0.000 0.170) 1.289 9.494 ( 0.509 0.000 0.363) 0.625 9.524 ( -2.938 -0.000 -1.219) 3.181 9.543 ( -0.898 -0.000 -0.801) 1.203 9.571 ( -5.352 -0.000 -2.009) 5.717 9.743 ( -5.643 -0.000 1.553) 5.853 9.771 ( 1.640 0.000 0.343) 1.675 9.880 ( 3.747 0.000 -0.042) 3.747 9.887 ( 3.215 0.000 0.114) 3.217 9.911 ( -0.444 -0.000 0.477) 0.651 10.087 ( -7.945 -0.000 -9.740) 12.569 10.178 ( -7.084 -0.000 0.136) 7.085 10.180 ( -6.956 -0.000 -0.157) 6.958 10.186 ( -5.368 -0.000 -0.087) 5.369 10.191 ( -5.419 -0.000 0.015) 5.419 10.347 ( 6.132 0.000 -0.986) 6.211 10.391 ( 8.076 0.000 -1.284) 8.178 10.658 ( -0.336 -0.000 0.686) 0.764 10.712 ( -2.621 -0.000 0.660) 2.703 10.844 ( -6.168 -0.000 -1.008) 6.250 10.863 ( -5.288 -0.000 -1.504) 5.498 11.240 ( 7.064 0.000 4.950) 8.626 11.276 ( 8.311 0.000 -0.027) 8.311=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/14112 10.0 73.857 53.596 44.656 0.000 6.017 -0.000 3/14112 20.0 14.879 11.452 7.406 -0.000 0.549 -0.000 3/14112 30.0 7.152 5.608 3.245 -0.000 0.204 -0.000 3/14112 40.0 4.676 3.719 2.002 -0.000 0.116 -0.000 3/14112 50.0 3.521 2.834 1.443 -0.000 0.079 -0.000 3/14112 60.0 2.859 2.322 1.130 -0.000 0.060 -0.000 3/14112 70.0 2.428 1.987 0.932 -0.000 0.048 -0.000 3/14112 80.0 2.122 1.747 0.795 -0.000 0.041 -0.000 3/14112 90.0 1.893 1.567 0.694 -0.000 0.035 -0.000 3/14112 100.0 1.714 1.425 0.617 -0.000 0.031 -0.000 3/14112 110.0 1.570 1.310 0.557 -0.000 0.027 -0.000 3/14112 120.0 1.450 1.214 0.507 -0.000 0.025 -0.000 3/14112 130.0 1.349 1.132 0.467 -0.000 0.023 -0.000 3/14112 140.0 1.262 1.062 0.432 -0.000 0.021 -0.000 3/14112 150.0 1.187 1.001 0.403 -0.000 0.019 -0.000 3/14112 160.0 1.120 0.947 0.377 -0.000 0.018 -0.000 3/14112 170.0 1.061 0.898 0.355 -0.000 0.017 -0.000 3/14112 180.0 1.008 0.855 0.335 -0.000 0.016 -0.000 3/14112 190.0 0.960 0.815 0.317 -0.000 0.015 -0.000 3/14112 200.0 0.917 0.780 0.301 -0.000 0.014 -0.000 3/14112 210.0 0.877 0.747 0.287 -0.000 0.014 -0.000 3/14112 220.0 0.841 0.717 0.274 -0.000 0.013 -0.000 3/14112 230.0 0.808 0.689 0.262 -0.000 0.012 -0.000 3/14112 240.0 0.777 0.663 0.251 -0.000 0.012 -0.000 3/14112 250.0 0.749 0.639 0.241 -0.000 0.011 -0.000 3/14112 260.0 0.722 0.617 0.232 -0.000 0.011 -0.000 3/14112 270.0 0.697 0.596 0.224 -0.000 0.011 -0.000 3/14112 280.0 0.674 0.577 0.216 -0.000 0.010 -0.000 3/14112 290.0 0.653 0.559 0.208 -0.000 0.010 -0.000 3/14112 300.0 0.632 0.542 0.202 -0.000 0.009 -0.000 3/14112 310.0 0.613 0.526 0.195 -0.000 0.009 -0.000 3/14112 320.0 0.595 0.510 0.189 -0.000 0.009 -0.000 3/14112 330.0 0.578 0.496 0.183 -0.000 0.009 -0.000 3/14112 340.0 0.562 0.483 0.178 -0.000 0.008 -0.000 3/14112 350.0 0.547 0.470 0.173 -0.000 0.008 -0.000 3/14112 360.0 0.533 0.458 0.168 -0.000 0.008 -0.000 3/14112 370.0 0.519 0.446 0.164 -0.000 0.008 -0.000 3/14112 380.0 0.506 0.435 0.160 -0.000 0.007 -0.000 3/14112 390.0 0.494 0.424 0.155 -0.000 0.007 -0.000 3/14112 400.0 0.482 0.414 0.152 -0.000 0.007 -0.000 3/14112 410.0 0.471 0.405 0.148 -0.000 0.007 -0.000 3/14112 420.0 0.460 0.396 0.144 -0.000 0.007 -0.000 3/14112 430.0 0.450 0.387 0.141 -0.000 0.007 -0.000 3/14112 440.0 0.440 0.379 0.138 -0.000 0.006 -0.000 3/14112 450.0 0.431 0.371 0.135 -0.000 0.006 -0.000 3/14112 460.0 0.422 0.363 0.132 -0.000 0.006 -0.000 3/14112 470.0 0.413 0.356 0.129 -0.000 0.006 -0.000 3/14112 480.0 0.405 0.349 0.127 -0.000 0.006 -0.000 3/14112 490.0 0.397 0.342 0.124 -0.000 0.006 -0.000 3/14112 500.0 0.390 0.335 0.122 -0.000 0.006 -0.000 3/14112 510.0 0.382 0.329 0.119 -0.000 0.006 -0.000 3/14112 520.0 0.375 0.323 0.117 -0.000 0.005 -0.000 3/14112 530.0 0.368 0.317 0.115 -0.000 0.005 -0.000 3/14112 540.0 0.362 0.311 0.113 -0.000 0.005 -0.000 3/14112 550.0 0.355 0.306 0.111 -0.000 0.005 -0.000 3/14112 560.0 0.349 0.301 0.109 -0.000 0.005 -0.000 3/14112 570.0 0.343 0.296 0.107 -0.000 0.005 -0.000 3/14112 580.0 0.337 0.291 0.105 -0.000 0.005 -0.000 3/14112 590.0 0.332 0.286 0.103 -0.000 0.005 -0.000 3/14112 600.0 0.327 0.281 0.101 -0.000 0.005 -0.000 3/14112 610.0 0.321 0.277 0.100 -0.000 0.005 -0.000 3/14112 620.0 0.316 0.273 0.098 -0.000 0.005 -0.000 3/14112 630.0 0.311 0.268 0.097 -0.000 0.004 -0.000 3/14112 640.0 0.307 0.264 0.095 -0.000 0.004 -0.000 3/14112 650.0 0.302 0.260 0.094 -0.000 0.004 -0.000 3/14112 660.0 0.298 0.257 0.092 -0.000 0.004 -0.000 3/14112 670.0 0.293 0.253 0.091 -0.000 0.004 -0.000 3/14112 680.0 0.289 0.249 0.090 -0.000 0.004 -0.000 3/14112 690.0 0.285 0.246 0.088 -0.000 0.004 -0.000 3/14112 700.0 0.281 0.242 0.087 -0.000 0.004 -0.000 3/14112 710.0 0.277 0.239 0.086 -0.000 0.004 -0.000 3/14112 720.0 0.273 0.236 0.085 -0.000 0.004 -0.000 3/14112 730.0 0.270 0.233 0.083 -0.000 0.004 -0.000 3/14112 740.0 0.266 0.230 0.082 -0.000 0.004 -0.000 3/14112 750.0 0.263 0.227 0.081 -0.000 0.004 -0.000 3/14112 760.0 0.259 0.224 0.080 -0.000 0.004 -0.000 3/14112 770.0 0.256 0.221 0.079 -0.000 0.004 -0.000 3/14112 780.0 0.253 0.218 0.078 -0.000 0.004 -0.000 3/14112 790.0 0.250 0.215 0.077 -0.000 0.004 -0.000 3/14112 800.0 0.247 0.213 0.076 -0.000 0.004 -0.000 3/14112 810.0 0.244 0.210 0.075 -0.000 0.004 -0.000 3/14112 820.0 0.241 0.208 0.074 -0.000 0.003 -0.000 3/14112 830.0 0.238 0.205 0.073 -0.000 0.003 -0.000 3/14112 840.0 0.235 0.203 0.073 -0.000 0.003 -0.000 3/14112 850.0 0.232 0.201 0.072 -0.000 0.003 -0.000 3/14112 860.0 0.230 0.198 0.071 -0.000 0.003 -0.000 3/14112 870.0 0.227 0.196 0.070 -0.000 0.003 -0.000 3/14112 880.0 0.225 0.194 0.069 -0.000 0.003 -0.000 3/14112 890.0 0.222 0.192 0.069 -0.000 0.003 -0.000 3/14112 900.0 0.220 0.190 0.068 -0.000 0.003 -0.000 3/14112 910.0 0.217 0.188 0.067 -0.000 0.003 -0.000 3/14112 920.0 0.215 0.186 0.066 -0.000 0.003 -0.000 3/14112 930.0 0.213 0.184 0.066 -0.000 0.003 -0.000 3/14112 940.0 0.211 0.182 0.065 -0.000 0.003 -0.000 3/14112 950.0 0.208 0.180 0.064 -0.000 0.003 -0.000 3/14112 960.0 0.206 0.178 0.064 -0.000 0.003 -0.000 3/14112 970.0 0.204 0.176 0.063 -0.000 0.003 -0.000 3/14112 980.0 0.202 0.174 0.062 -0.000 0.003 -0.000 3/14112 990.0 0.200 0.173 0.062 -0.000 0.003 -0.000 3/14112 1000.0 0.198 0.171 0.061 -0.000 0.003 -0.000 3/14112Thermal conductivity related properties were written into "kappa-m773.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:20:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|