----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.662075530000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): *1 Dy 0.11606712751062 0.25000000000000 0.27568237611536 162.500 *2 Dy 0.13602353292257 0.25000000000000 0.94398577424019 162.500 3 Dy 0.36397646707742 0.75000000000000 0.44398577424019 162.500 4 Dy 0.38393287248938 0.75000000000000 0.77568237611536 162.500 5 Dy 0.61606712751062 0.25000000000000 0.22431762388464 162.500 6 Dy 0.63602353292258 0.25000000000000 0.55601422575981 162.500 7 Dy 0.86397646707742 0.75000000000000 0.05601422575981 162.500 8 Dy 0.88393287248938 0.75000000000000 0.72431762388464 162.500 *9 Ti 0.17322927418153 0.25000000000000 0.61882593627217 47.867 10 Ti 0.32677072581847 0.75000000000000 0.11882593627217 47.867 11 Ti 0.67322927418153 0.25000000000000 0.88117406372783 47.867 12 Ti 0.82677072581847 0.75000000000000 0.38117406372782 47.867 *13 O 0.00655947974668 0.75000000000000 0.89526271787234 15.999 *14 O 0.00482297058627 0.25000000000000 0.65439832542511 15.999 *15 O 0.22411984873969 0.25000000000000 0.45616620472006 15.999 *16 O 0.23756151140217 0.75000000000000 0.61611304005093 15.999 *17 O 0.24452791114053 0.75000000000000 0.27072277776423 15.999 18 O 0.25547208885947 0.25000000000000 0.77072277776423 15.999 19 O 0.26243848859783 0.25000000000000 0.11611304005093 15.999 20 O 0.27588015126031 0.75000000000000 0.95616620472006 15.999 21 O 0.49517702941373 0.75000000000000 0.15439832542511 15.999 22 O 0.49344052025332 0.25000000000000 0.39526271787234 15.999 23 O 0.50655947974668 0.75000000000000 0.60473728212766 15.999 24 O 0.50482297058627 0.25000000000000 0.84560167457489 15.999 25 O 0.72411984873969 0.25000000000000 0.04383379527994 15.999 26 O 0.73756151140217 0.75000000000000 0.88388695994907 15.999 27 O 0.74452791114053 0.75000000000000 0.22927722223577 15.999 28 O 0.75547208885947 0.25000000000000 0.72927722223577 15.999 29 O 0.76243848859783 0.25000000000000 0.38388695994907 15.999 30 O 0.77588015126031 0.75000000000000 0.54383379527994 15.999 31 O 0.99517702941373 0.75000000000000 0.34560167457489 15.999 32 O 0.99344052025332 0.25000000000000 0.10473728212766 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.662075530000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): *1 Dy 0.11606712751062 0.25000000000000 0.27568237611536 162.500 > 1 *2 Dy 0.13602353292257 0.25000000000000 0.94398577424019 162.500 > 2 3 Dy 0.36397646707742 0.75000000000000 0.44398577424019 162.500 > 3 4 Dy 0.38393287248938 0.75000000000000 0.77568237611536 162.500 > 4 5 Dy 0.61606712751062 0.25000000000000 0.22431762388464 162.500 > 5 6 Dy 0.63602353292258 0.25000000000000 0.55601422575981 162.500 > 6 7 Dy 0.86397646707742 0.75000000000000 0.05601422575981 162.500 > 7 8 Dy 0.88393287248938 0.75000000000000 0.72431762388464 162.500 > 8 *9 Ti 0.17322927418153 0.25000000000000 0.61882593627217 47.867 > 9 10 Ti 0.32677072581847 0.75000000000000 0.11882593627217 47.867 > 10 11 Ti 0.67322927418153 0.25000000000000 0.88117406372783 47.867 > 11 12 Ti 0.82677072581847 0.75000000000000 0.38117406372782 47.867 > 12 *13 O 0.00655947974668 0.75000000000000 0.89526271787234 15.999 > 13 *14 O 0.00482297058627 0.25000000000000 0.65439832542511 15.999 > 14 *15 O 0.22411984873969 0.25000000000000 0.45616620472006 15.999 > 15 *16 O 0.23756151140217 0.75000000000000 0.61611304005093 15.999 > 16 *17 O 0.24452791114053 0.75000000000000 0.27072277776423 15.999 > 17 18 O 0.25547208885947 0.25000000000000 0.77072277776423 15.999 > 18 19 O 0.26243848859783 0.25000000000000 0.11611304005093 15.999 > 19 20 O 0.27588015126031 0.75000000000000 0.95616620472006 15.999 > 20 21 O 0.49517702941373 0.75000000000000 0.15439832542511 15.999 > 21 22 O 0.49344052025332 0.25000000000000 0.39526271787234 15.999 > 22 23 O 0.50655947974668 0.75000000000000 0.60473728212766 15.999 > 23 24 O 0.50482297058627 0.25000000000000 0.84560167457489 15.999 > 24 25 O 0.72411984873969 0.25000000000000 0.04383379527994 15.999 > 25 26 O 0.73756151140217 0.75000000000000 0.88388695994907 15.999 > 26 27 O 0.74452791114053 0.75000000000000 0.22927722223577 15.999 > 27 28 O 0.75547208885947 0.25000000000000 0.72927722223577 15.999 > 28 29 O 0.76243848859783 0.25000000000000 0.38388695994907 15.999 > 29 30 O 0.77588015126031 0.75000000000000 0.54383379527994 15.999 > 30 31 O 0.99517702941373 0.75000000000000 0.34560167457489 15.999 > 31 32 O 0.99344052025332 0.25000000000000 0.10473728212766 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.986226590000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): *1 Dy 0.11606712751062 0.08333333333333 0.27568237611536 162.500 > 1 2 Dy 0.11606712751062 0.41666666666667 0.27568237611536 162.500 > 1 3 Dy 0.11606712751062 0.75000000000000 0.27568237611536 162.500 > 1 *4 Dy 0.13602353292257 0.08333333333333 0.94398577424019 162.500 > 2 5 Dy 0.13602353292257 0.41666666666667 0.94398577424019 162.500 > 2 6 Dy 0.13602353292257 0.75000000000000 0.94398577424019 162.500 > 2 7 Dy 0.36397646707742 0.25000000000000 0.44398577424019 162.500 > 3 8 Dy 0.36397646707742 0.58333333333333 0.44398577424019 162.500 > 3 9 Dy 0.36397646707742 0.91666666666667 0.44398577424019 162.500 > 3 10 Dy 0.38393287248938 0.25000000000000 0.77568237611536 162.500 > 4 11 Dy 0.38393287248938 0.58333333333333 0.77568237611536 162.500 > 4 12 Dy 0.38393287248938 0.91666666666667 0.77568237611536 162.500 > 4 13 Dy 0.61606712751062 0.08333333333333 0.22431762388464 162.500 > 5 14 Dy 0.61606712751062 0.41666666666667 0.22431762388464 162.500 > 5 15 Dy 0.61606712751062 0.75000000000000 0.22431762388464 162.500 > 5 16 Dy 0.63602353292258 0.08333333333333 0.55601422575981 162.500 > 6 17 Dy 0.63602353292258 0.41666666666667 0.55601422575981 162.500 > 6 18 Dy 0.63602353292258 0.75000000000000 0.55601422575981 162.500 > 6 19 Dy 0.86397646707742 0.25000000000000 0.05601422575981 162.500 > 7 20 Dy 0.86397646707742 0.58333333333333 0.05601422575981 162.500 > 7 21 Dy 0.86397646707742 0.91666666666667 0.05601422575981 162.500 > 7 22 Dy 0.88393287248938 0.25000000000000 0.72431762388464 162.500 > 8 23 Dy 0.88393287248938 0.58333333333333 0.72431762388464 162.500 > 8 24 Dy 0.88393287248938 0.91666666666667 0.72431762388464 162.500 > 8 *25 Ti 0.17322927418153 0.08333333333333 0.61882593627217 47.867 > 9 26 Ti 0.17322927418153 0.41666666666667 0.61882593627217 47.867 > 9 27 Ti 0.17322927418153 0.75000000000000 0.61882593627217 47.867 > 9 28 Ti 0.32677072581847 0.25000000000000 0.11882593627217 47.867 > 10 29 Ti 0.32677072581847 0.58333333333333 0.11882593627217 47.867 > 10 30 Ti 0.32677072581847 0.91666666666667 0.11882593627217 47.867 > 10 31 Ti 0.67322927418153 0.08333333333333 0.88117406372783 47.867 > 11 32 Ti 0.67322927418153 0.41666666666667 0.88117406372783 47.867 > 11 33 Ti 0.67322927418153 0.75000000000000 0.88117406372783 47.867 > 11 34 Ti 0.82677072581847 0.25000000000000 0.38117406372782 47.867 > 12 35 Ti 0.82677072581847 0.58333333333333 0.38117406372782 47.867 > 12 36 Ti 0.82677072581847 0.91666666666667 0.38117406372782 47.867 > 12 *37 O 0.00655947974668 0.25000000000000 0.89526271787234 15.999 > 13 38 O 0.00655947974668 0.58333333333333 0.89526271787234 15.999 > 13 39 O 0.00655947974668 0.91666666666667 0.89526271787234 15.999 > 13 *40 O 0.00482297058627 0.08333333333333 0.65439832542511 15.999 > 14 41 O 0.00482297058627 0.41666666666667 0.65439832542511 15.999 > 14 42 O 0.00482297058627 0.75000000000000 0.65439832542511 15.999 > 14 *43 O 0.22411984873969 0.08333333333333 0.45616620472006 15.999 > 15 44 O 0.22411984873969 0.41666666666667 0.45616620472006 15.999 > 15 45 O 0.22411984873969 0.75000000000000 0.45616620472006 15.999 > 15 *46 O 0.23756151140217 0.25000000000000 0.61611304005093 15.999 > 16 47 O 0.23756151140217 0.58333333333333 0.61611304005093 15.999 > 16 48 O 0.23756151140217 0.91666666666667 0.61611304005093 15.999 > 16 *49 O 0.24452791114053 0.25000000000000 0.27072277776423 15.999 > 17 50 O 0.24452791114053 0.58333333333333 0.27072277776423 15.999 > 17 51 O 0.24452791114053 0.91666666666667 0.27072277776423 15.999 > 17 52 O 0.25547208885947 0.08333333333333 0.77072277776423 15.999 > 18 53 O 0.25547208885947 0.41666666666667 0.77072277776423 15.999 > 18 54 O 0.25547208885947 0.75000000000000 0.77072277776423 15.999 > 18 55 O 0.26243848859783 0.08333333333333 0.11611304005093 15.999 > 19 56 O 0.26243848859783 0.41666666666667 0.11611304005093 15.999 > 19 57 O 0.26243848859783 0.75000000000000 0.11611304005093 15.999 > 19 58 O 0.27588015126031 0.25000000000000 0.95616620472006 15.999 > 20 59 O 0.27588015126031 0.58333333333333 0.95616620472006 15.999 > 20 60 O 0.27588015126031 0.91666666666667 0.95616620472006 15.999 > 20 61 O 0.49517702941373 0.25000000000000 0.15439832542511 15.999 > 21 62 O 0.49517702941373 0.58333333333333 0.15439832542511 15.999 > 21 63 O 0.49517702941373 0.91666666666667 0.15439832542511 15.999 > 21 64 O 0.49344052025332 0.08333333333333 0.39526271787234 15.999 > 22 65 O 0.49344052025332 0.41666666666667 0.39526271787234 15.999 > 22 66 O 0.49344052025332 0.75000000000000 0.39526271787234 15.999 > 22 67 O 0.50655947974668 0.25000000000000 0.60473728212766 15.999 > 23 68 O 0.50655947974668 0.58333333333333 0.60473728212766 15.999 > 23 69 O 0.50655947974668 0.91666666666667 0.60473728212766 15.999 > 23 70 O 0.50482297058627 0.08333333333333 0.84560167457489 15.999 > 24 71 O 0.50482297058627 0.41666666666667 0.84560167457489 15.999 > 24 72 O 0.50482297058627 0.75000000000000 0.84560167457489 15.999 > 24 73 O 0.72411984873969 0.08333333333333 0.04383379527994 15.999 > 25 74 O 0.72411984873969 0.41666666666667 0.04383379527994 15.999 > 25 75 O 0.72411984873969 0.75000000000000 0.04383379527994 15.999 > 25 76 O 0.73756151140217 0.25000000000000 0.88388695994907 15.999 > 26 77 O 0.73756151140217 0.58333333333333 0.88388695994907 15.999 > 26 78 O 0.73756151140217 0.91666666666667 0.88388695994907 15.999 > 26 79 O 0.74452791114053 0.25000000000000 0.22927722223577 15.999 > 27 80 O 0.74452791114053 0.58333333333333 0.22927722223577 15.999 > 27 81 O 0.74452791114053 0.91666666666667 0.22927722223577 15.999 > 27 82 O 0.75547208885947 0.08333333333333 0.72927722223577 15.999 > 28 83 O 0.75547208885947 0.41666666666667 0.72927722223577 15.999 > 28 84 O 0.75547208885947 0.75000000000000 0.72927722223577 15.999 > 28 85 O 0.76243848859783 0.08333333333333 0.38388695994907 15.999 > 29 86 O 0.76243848859783 0.41666666666667 0.38388695994907 15.999 > 29 87 O 0.76243848859783 0.75000000000000 0.38388695994907 15.999 > 29 88 O 0.77588015126031 0.25000000000000 0.54383379527994 15.999 > 30 89 O 0.77588015126031 0.58333333333333 0.54383379527994 15.999 > 30 90 O 0.77588015126031 0.91666666666667 0.54383379527994 15.999 > 30 91 O 0.99517702941373 0.25000000000000 0.34560167457489 15.999 > 31 92 O 0.99517702941373 0.58333333333333 0.34560167457489 15.999 > 31 93 O 0.99517702941373 0.91666666666667 0.34560167457489 15.999 > 31 94 O 0.99344052025332 0.08333333333333 0.10473728212766 15.999 > 32 95 O 0.99344052025332 0.41666666666667 0.10473728212766 15.999 > 32 96 O 0.99344052025332 0.75000000000000 0.10473728212766 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4327008 0.0000000 0.0000000 0.0000000 4.6277391 0.0000000 0.0000000 0.0000000 4.6003524 -------------------------- Born effective charges -------------------------- 1 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 2 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 3 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 4 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 5 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 6 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 7 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 8 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 9 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 10 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 11 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 12 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 13 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 14 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 15 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 16 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 17 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 18 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 19 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 20 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 21 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 22 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 23 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 24 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 25 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 26 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 27 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 28 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 29 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 30 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 31 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 32 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.565 Solver_block: 200 / 480 - Time: 2.583 Solver_block: 300 / 480 - Time: 2.587 Solver_block: 400 / 480 - Time: 2.583 Solver_block: 480 / 480 - Time: 2.107 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.472 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:16:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:16:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.662075530000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): 1 Dy 0.11606712751062 0.25000000000000 0.27568237611536 162.500 2 Dy 0.13602353292257 0.25000000000000 0.94398577424019 162.500 3 Dy 0.36397646707742 0.75000000000000 0.44398577424019 162.500 4 Dy 0.38393287248938 0.75000000000000 0.77568237611536 162.500 5 Dy 0.61606712751062 0.25000000000000 0.22431762388464 162.500 6 Dy 0.63602353292258 0.25000000000000 0.55601422575981 162.500 7 Dy 0.86397646707742 0.75000000000000 0.05601422575981 162.500 8 Dy 0.88393287248938 0.75000000000000 0.72431762388464 162.500 9 Ti 0.17322927418153 0.25000000000000 0.61882593627217 47.867 10 Ti 0.32677072581847 0.75000000000000 0.11882593627217 47.867 11 Ti 0.67322927418153 0.25000000000000 0.88117406372783 47.867 12 Ti 0.82677072581847 0.75000000000000 0.38117406372782 47.867 13 O 0.00655947974668 0.75000000000000 0.89526271787234 15.999 14 O 0.00482297058627 0.25000000000000 0.65439832542511 15.999 15 O 0.22411984873969 0.25000000000000 0.45616620472006 15.999 16 O 0.23756151140217 0.75000000000000 0.61611304005093 15.999 17 O 0.24452791114053 0.75000000000000 0.27072277776423 15.999 18 O 0.25547208885947 0.25000000000000 0.77072277776423 15.999 19 O 0.26243848859783 0.25000000000000 0.11611304005093 15.999 20 O 0.27588015126031 0.75000000000000 0.95616620472006 15.999 21 O 0.49517702941373 0.75000000000000 0.15439832542511 15.999 22 O 0.49344052025332 0.25000000000000 0.39526271787234 15.999 23 O 0.50655947974668 0.75000000000000 0.60473728212766 15.999 24 O 0.50482297058627 0.25000000000000 0.84560167457489 15.999 25 O 0.72411984873969 0.25000000000000 0.04383379527994 15.999 26 O 0.73756151140217 0.75000000000000 0.88388695994907 15.999 27 O 0.74452791114053 0.75000000000000 0.22927722223577 15.999 28 O 0.75547208885947 0.25000000000000 0.72927722223577 15.999 29 O 0.76243848859783 0.25000000000000 0.38388695994907 15.999 30 O 0.77588015126031 0.75000000000000 0.54383379527994 15.999 31 O 0.99517702941373 0.75000000000000 0.34560167457489 15.999 32 O 0.99344052025332 0.25000000000000 0.10473728212766 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.986226590000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): 1 Dy 0.11606712751062 0.08333333333333 0.27568237611536 162.500 > 1 2 Dy 0.11606712751062 0.41666666666667 0.27568237611536 162.500 > 1 3 Dy 0.11606712751062 0.75000000000000 0.27568237611536 162.500 > 1 4 Dy 0.13602353292257 0.08333333333333 0.94398577424019 162.500 > 4 5 Dy 0.13602353292257 0.41666666666667 0.94398577424019 162.500 > 4 6 Dy 0.13602353292257 0.75000000000000 0.94398577424019 162.500 > 4 7 Dy 0.36397646707742 0.25000000000000 0.44398577424019 162.500 > 7 8 Dy 0.36397646707742 0.58333333333333 0.44398577424019 162.500 > 7 9 Dy 0.36397646707742 0.91666666666667 0.44398577424019 162.500 > 7 10 Dy 0.38393287248938 0.25000000000000 0.77568237611536 162.500 > 10 11 Dy 0.38393287248938 0.58333333333333 0.77568237611536 162.500 > 10 12 Dy 0.38393287248938 0.91666666666667 0.77568237611536 162.500 > 10 13 Dy 0.61606712751062 0.08333333333333 0.22431762388464 162.500 > 13 14 Dy 0.61606712751062 0.41666666666667 0.22431762388464 162.500 > 13 15 Dy 0.61606712751062 0.75000000000000 0.22431762388464 162.500 > 13 16 Dy 0.63602353292258 0.08333333333333 0.55601422575981 162.500 > 16 17 Dy 0.63602353292258 0.41666666666667 0.55601422575981 162.500 > 16 18 Dy 0.63602353292258 0.75000000000000 0.55601422575981 162.500 > 16 19 Dy 0.86397646707742 0.25000000000000 0.05601422575981 162.500 > 19 20 Dy 0.86397646707742 0.58333333333333 0.05601422575981 162.500 > 19 21 Dy 0.86397646707742 0.91666666666667 0.05601422575981 162.500 > 19 22 Dy 0.88393287248938 0.25000000000000 0.72431762388464 162.500 > 22 23 Dy 0.88393287248938 0.58333333333333 0.72431762388464 162.500 > 22 24 Dy 0.88393287248938 0.91666666666667 0.72431762388464 162.500 > 22 25 Ti 0.17322927418153 0.08333333333333 0.61882593627217 47.867 > 25 26 Ti 0.17322927418153 0.41666666666667 0.61882593627217 47.867 > 25 27 Ti 0.17322927418153 0.75000000000000 0.61882593627217 47.867 > 25 28 Ti 0.32677072581847 0.25000000000000 0.11882593627217 47.867 > 28 29 Ti 0.32677072581847 0.58333333333333 0.11882593627217 47.867 > 28 30 Ti 0.32677072581847 0.91666666666667 0.11882593627217 47.867 > 28 31 Ti 0.67322927418153 0.08333333333333 0.88117406372783 47.867 > 31 32 Ti 0.67322927418153 0.41666666666667 0.88117406372783 47.867 > 31 33 Ti 0.67322927418153 0.75000000000000 0.88117406372783 47.867 > 31 34 Ti 0.82677072581847 0.25000000000000 0.38117406372782 47.867 > 34 35 Ti 0.82677072581847 0.58333333333333 0.38117406372782 47.867 > 34 36 Ti 0.82677072581847 0.91666666666667 0.38117406372782 47.867 > 34 37 O 0.00655947974668 0.25000000000000 0.89526271787234 15.999 > 37 38 O 0.00655947974668 0.58333333333333 0.89526271787234 15.999 > 37 39 O 0.00655947974668 0.91666666666667 0.89526271787234 15.999 > 37 40 O 0.00482297058627 0.08333333333333 0.65439832542511 15.999 > 40 41 O 0.00482297058627 0.41666666666667 0.65439832542511 15.999 > 40 42 O 0.00482297058627 0.75000000000000 0.65439832542511 15.999 > 40 43 O 0.22411984873969 0.08333333333333 0.45616620472006 15.999 > 43 44 O 0.22411984873969 0.41666666666667 0.45616620472006 15.999 > 43 45 O 0.22411984873969 0.75000000000000 0.45616620472006 15.999 > 43 46 O 0.23756151140217 0.25000000000000 0.61611304005093 15.999 > 46 47 O 0.23756151140217 0.58333333333333 0.61611304005093 15.999 > 46 48 O 0.23756151140217 0.91666666666667 0.61611304005093 15.999 > 46 49 O 0.24452791114053 0.25000000000000 0.27072277776423 15.999 > 49 50 O 0.24452791114053 0.58333333333333 0.27072277776423 15.999 > 49 51 O 0.24452791114053 0.91666666666667 0.27072277776423 15.999 > 49 52 O 0.25547208885947 0.08333333333333 0.77072277776423 15.999 > 52 53 O 0.25547208885947 0.41666666666667 0.77072277776423 15.999 > 52 54 O 0.25547208885947 0.75000000000000 0.77072277776423 15.999 > 52 55 O 0.26243848859783 0.08333333333333 0.11611304005093 15.999 > 55 56 O 0.26243848859783 0.41666666666667 0.11611304005093 15.999 > 55 57 O 0.26243848859783 0.75000000000000 0.11611304005093 15.999 > 55 58 O 0.27588015126031 0.25000000000000 0.95616620472006 15.999 > 58 59 O 0.27588015126031 0.58333333333333 0.95616620472006 15.999 > 58 60 O 0.27588015126031 0.91666666666667 0.95616620472006 15.999 > 58 61 O 0.49517702941373 0.25000000000000 0.15439832542511 15.999 > 61 62 O 0.49517702941373 0.58333333333333 0.15439832542511 15.999 > 61 63 O 0.49517702941373 0.91666666666667 0.15439832542511 15.999 > 61 64 O 0.49344052025332 0.08333333333333 0.39526271787234 15.999 > 64 65 O 0.49344052025332 0.41666666666667 0.39526271787234 15.999 > 64 66 O 0.49344052025332 0.75000000000000 0.39526271787234 15.999 > 64 67 O 0.50655947974668 0.25000000000000 0.60473728212766 15.999 > 67 68 O 0.50655947974668 0.58333333333333 0.60473728212766 15.999 > 67 69 O 0.50655947974668 0.91666666666667 0.60473728212766 15.999 > 67 70 O 0.50482297058627 0.08333333333333 0.84560167457489 15.999 > 70 71 O 0.50482297058627 0.41666666666667 0.84560167457489 15.999 > 70 72 O 0.50482297058627 0.75000000000000 0.84560167457489 15.999 > 70 73 O 0.72411984873969 0.08333333333333 0.04383379527994 15.999 > 73 74 O 0.72411984873969 0.41666666666667 0.04383379527994 15.999 > 73 75 O 0.72411984873969 0.75000000000000 0.04383379527994 15.999 > 73 76 O 0.73756151140217 0.25000000000000 0.88388695994907 15.999 > 76 77 O 0.73756151140217 0.58333333333333 0.88388695994907 15.999 > 76 78 O 0.73756151140217 0.91666666666667 0.88388695994907 15.999 > 76 79 O 0.74452791114053 0.25000000000000 0.22927722223577 15.999 > 79 80 O 0.74452791114053 0.58333333333333 0.22927722223577 15.999 > 79 81 O 0.74452791114053 0.91666666666667 0.22927722223577 15.999 > 79 82 O 0.75547208885947 0.08333333333333 0.72927722223577 15.999 > 82 83 O 0.75547208885947 0.41666666666667 0.72927722223577 15.999 > 82 84 O 0.75547208885947 0.75000000000000 0.72927722223577 15.999 > 82 85 O 0.76243848859783 0.08333333333333 0.38388695994907 15.999 > 85 86 O 0.76243848859783 0.41666666666667 0.38388695994907 15.999 > 85 87 O 0.76243848859783 0.75000000000000 0.38388695994907 15.999 > 85 88 O 0.77588015126031 0.25000000000000 0.54383379527994 15.999 > 88 89 O 0.77588015126031 0.58333333333333 0.54383379527994 15.999 > 88 90 O 0.77588015126031 0.91666666666667 0.54383379527994 15.999 > 88 91 O 0.99517702941373 0.25000000000000 0.34560167457489 15.999 > 91 92 O 0.99517702941373 0.58333333333333 0.34560167457489 15.999 > 91 93 O 0.99517702941373 0.91666666666667 0.34560167457489 15.999 > 91 94 O 0.99344052025332 0.08333333333333 0.10473728212766 15.999 > 94 95 O 0.99344052025332 0.41666666666667 0.10473728212766 15.999 > 94 96 O 0.99344052025332 0.75000000000000 0.10473728212766 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4327008 0.0000000 0.0000000 0.0000000 4.6277391 0.0000000 0.0000000 0.0000000 4.6003524 -------------------------- Born effective charges -------------------------- 1 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 2 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 3 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 4 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 5 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 6 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 7 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 8 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 9 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 10 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 11 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 12 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 13 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 14 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 15 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 16 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 17 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 18 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 19 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 20 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 21 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 22 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 23 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 24 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 25 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 26 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 27 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 28 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 29 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 30 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 31 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 32 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:16:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:16:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.662075530000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): 1 Dy 0.11606712751062 0.25000000000000 0.27568237611536 162.500 2 Dy 0.13602353292257 0.25000000000000 0.94398577424019 162.500 3 Dy 0.36397646707742 0.75000000000000 0.44398577424019 162.500 4 Dy 0.38393287248938 0.75000000000000 0.77568237611536 162.500 5 Dy 0.61606712751062 0.25000000000000 0.22431762388464 162.500 6 Dy 0.63602353292258 0.25000000000000 0.55601422575981 162.500 7 Dy 0.86397646707742 0.75000000000000 0.05601422575981 162.500 8 Dy 0.88393287248938 0.75000000000000 0.72431762388464 162.500 9 Ti 0.17322927418153 0.25000000000000 0.61882593627217 47.867 10 Ti 0.32677072581847 0.75000000000000 0.11882593627217 47.867 11 Ti 0.67322927418153 0.25000000000000 0.88117406372783 47.867 12 Ti 0.82677072581847 0.75000000000000 0.38117406372782 47.867 13 O 0.00655947974668 0.75000000000000 0.89526271787234 15.999 14 O 0.00482297058627 0.25000000000000 0.65439832542511 15.999 15 O 0.22411984873969 0.25000000000000 0.45616620472006 15.999 16 O 0.23756151140217 0.75000000000000 0.61611304005093 15.999 17 O 0.24452791114053 0.75000000000000 0.27072277776423 15.999 18 O 0.25547208885947 0.25000000000000 0.77072277776423 15.999 19 O 0.26243848859783 0.25000000000000 0.11611304005093 15.999 20 O 0.27588015126031 0.75000000000000 0.95616620472006 15.999 21 O 0.49517702941373 0.75000000000000 0.15439832542511 15.999 22 O 0.49344052025332 0.25000000000000 0.39526271787234 15.999 23 O 0.50655947974668 0.75000000000000 0.60473728212766 15.999 24 O 0.50482297058627 0.25000000000000 0.84560167457489 15.999 25 O 0.72411984873969 0.25000000000000 0.04383379527994 15.999 26 O 0.73756151140217 0.75000000000000 0.88388695994907 15.999 27 O 0.74452791114053 0.75000000000000 0.22927722223577 15.999 28 O 0.75547208885947 0.25000000000000 0.72927722223577 15.999 29 O 0.76243848859783 0.25000000000000 0.38388695994907 15.999 30 O 0.77588015126031 0.75000000000000 0.54383379527994 15.999 31 O 0.99517702941373 0.75000000000000 0.34560167457489 15.999 32 O 0.99344052025332 0.25000000000000 0.10473728212766 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.287991490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.986226590000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.190588010000003 Atomic positions (fractional): 1 Dy 0.11606712751062 0.08333333333333 0.27568237611536 162.500 > 1 2 Dy 0.11606712751062 0.41666666666667 0.27568237611536 162.500 > 1 3 Dy 0.11606712751062 0.75000000000000 0.27568237611536 162.500 > 1 4 Dy 0.13602353292257 0.08333333333333 0.94398577424019 162.500 > 4 5 Dy 0.13602353292257 0.41666666666667 0.94398577424019 162.500 > 4 6 Dy 0.13602353292257 0.75000000000000 0.94398577424019 162.500 > 4 7 Dy 0.36397646707742 0.25000000000000 0.44398577424019 162.500 > 7 8 Dy 0.36397646707742 0.58333333333333 0.44398577424019 162.500 > 7 9 Dy 0.36397646707742 0.91666666666667 0.44398577424019 162.500 > 7 10 Dy 0.38393287248938 0.25000000000000 0.77568237611536 162.500 > 10 11 Dy 0.38393287248938 0.58333333333333 0.77568237611536 162.500 > 10 12 Dy 0.38393287248938 0.91666666666667 0.77568237611536 162.500 > 10 13 Dy 0.61606712751062 0.08333333333333 0.22431762388464 162.500 > 13 14 Dy 0.61606712751062 0.41666666666667 0.22431762388464 162.500 > 13 15 Dy 0.61606712751062 0.75000000000000 0.22431762388464 162.500 > 13 16 Dy 0.63602353292258 0.08333333333333 0.55601422575981 162.500 > 16 17 Dy 0.63602353292258 0.41666666666667 0.55601422575981 162.500 > 16 18 Dy 0.63602353292258 0.75000000000000 0.55601422575981 162.500 > 16 19 Dy 0.86397646707742 0.25000000000000 0.05601422575981 162.500 > 19 20 Dy 0.86397646707742 0.58333333333333 0.05601422575981 162.500 > 19 21 Dy 0.86397646707742 0.91666666666667 0.05601422575981 162.500 > 19 22 Dy 0.88393287248938 0.25000000000000 0.72431762388464 162.500 > 22 23 Dy 0.88393287248938 0.58333333333333 0.72431762388464 162.500 > 22 24 Dy 0.88393287248938 0.91666666666667 0.72431762388464 162.500 > 22 25 Ti 0.17322927418153 0.08333333333333 0.61882593627217 47.867 > 25 26 Ti 0.17322927418153 0.41666666666667 0.61882593627217 47.867 > 25 27 Ti 0.17322927418153 0.75000000000000 0.61882593627217 47.867 > 25 28 Ti 0.32677072581847 0.25000000000000 0.11882593627217 47.867 > 28 29 Ti 0.32677072581847 0.58333333333333 0.11882593627217 47.867 > 28 30 Ti 0.32677072581847 0.91666666666667 0.11882593627217 47.867 > 28 31 Ti 0.67322927418153 0.08333333333333 0.88117406372783 47.867 > 31 32 Ti 0.67322927418153 0.41666666666667 0.88117406372783 47.867 > 31 33 Ti 0.67322927418153 0.75000000000000 0.88117406372783 47.867 > 31 34 Ti 0.82677072581847 0.25000000000000 0.38117406372782 47.867 > 34 35 Ti 0.82677072581847 0.58333333333333 0.38117406372782 47.867 > 34 36 Ti 0.82677072581847 0.91666666666667 0.38117406372782 47.867 > 34 37 O 0.00655947974668 0.25000000000000 0.89526271787234 15.999 > 37 38 O 0.00655947974668 0.58333333333333 0.89526271787234 15.999 > 37 39 O 0.00655947974668 0.91666666666667 0.89526271787234 15.999 > 37 40 O 0.00482297058627 0.08333333333333 0.65439832542511 15.999 > 40 41 O 0.00482297058627 0.41666666666667 0.65439832542511 15.999 > 40 42 O 0.00482297058627 0.75000000000000 0.65439832542511 15.999 > 40 43 O 0.22411984873969 0.08333333333333 0.45616620472006 15.999 > 43 44 O 0.22411984873969 0.41666666666667 0.45616620472006 15.999 > 43 45 O 0.22411984873969 0.75000000000000 0.45616620472006 15.999 > 43 46 O 0.23756151140217 0.25000000000000 0.61611304005093 15.999 > 46 47 O 0.23756151140217 0.58333333333333 0.61611304005093 15.999 > 46 48 O 0.23756151140217 0.91666666666667 0.61611304005093 15.999 > 46 49 O 0.24452791114053 0.25000000000000 0.27072277776423 15.999 > 49 50 O 0.24452791114053 0.58333333333333 0.27072277776423 15.999 > 49 51 O 0.24452791114053 0.91666666666667 0.27072277776423 15.999 > 49 52 O 0.25547208885947 0.08333333333333 0.77072277776423 15.999 > 52 53 O 0.25547208885947 0.41666666666667 0.77072277776423 15.999 > 52 54 O 0.25547208885947 0.75000000000000 0.77072277776423 15.999 > 52 55 O 0.26243848859783 0.08333333333333 0.11611304005093 15.999 > 55 56 O 0.26243848859783 0.41666666666667 0.11611304005093 15.999 > 55 57 O 0.26243848859783 0.75000000000000 0.11611304005093 15.999 > 55 58 O 0.27588015126031 0.25000000000000 0.95616620472006 15.999 > 58 59 O 0.27588015126031 0.58333333333333 0.95616620472006 15.999 > 58 60 O 0.27588015126031 0.91666666666667 0.95616620472006 15.999 > 58 61 O 0.49517702941373 0.25000000000000 0.15439832542511 15.999 > 61 62 O 0.49517702941373 0.58333333333333 0.15439832542511 15.999 > 61 63 O 0.49517702941373 0.91666666666667 0.15439832542511 15.999 > 61 64 O 0.49344052025332 0.08333333333333 0.39526271787234 15.999 > 64 65 O 0.49344052025332 0.41666666666667 0.39526271787234 15.999 > 64 66 O 0.49344052025332 0.75000000000000 0.39526271787234 15.999 > 64 67 O 0.50655947974668 0.25000000000000 0.60473728212766 15.999 > 67 68 O 0.50655947974668 0.58333333333333 0.60473728212766 15.999 > 67 69 O 0.50655947974668 0.91666666666667 0.60473728212766 15.999 > 67 70 O 0.50482297058627 0.08333333333333 0.84560167457489 15.999 > 70 71 O 0.50482297058627 0.41666666666667 0.84560167457489 15.999 > 70 72 O 0.50482297058627 0.75000000000000 0.84560167457489 15.999 > 70 73 O 0.72411984873969 0.08333333333333 0.04383379527994 15.999 > 73 74 O 0.72411984873969 0.41666666666667 0.04383379527994 15.999 > 73 75 O 0.72411984873969 0.75000000000000 0.04383379527994 15.999 > 73 76 O 0.73756151140217 0.25000000000000 0.88388695994907 15.999 > 76 77 O 0.73756151140217 0.58333333333333 0.88388695994907 15.999 > 76 78 O 0.73756151140217 0.91666666666667 0.88388695994907 15.999 > 76 79 O 0.74452791114053 0.25000000000000 0.22927722223577 15.999 > 79 80 O 0.74452791114053 0.58333333333333 0.22927722223577 15.999 > 79 81 O 0.74452791114053 0.91666666666667 0.22927722223577 15.999 > 79 82 O 0.75547208885947 0.08333333333333 0.72927722223577 15.999 > 82 83 O 0.75547208885947 0.41666666666667 0.72927722223577 15.999 > 82 84 O 0.75547208885947 0.75000000000000 0.72927722223577 15.999 > 82 85 O 0.76243848859783 0.08333333333333 0.38388695994907 15.999 > 85 86 O 0.76243848859783 0.41666666666667 0.38388695994907 15.999 > 85 87 O 0.76243848859783 0.75000000000000 0.38388695994907 15.999 > 85 88 O 0.77588015126031 0.25000000000000 0.54383379527994 15.999 > 88 89 O 0.77588015126031 0.58333333333333 0.54383379527994 15.999 > 88 90 O 0.77588015126031 0.91666666666667 0.54383379527994 15.999 > 88 91 O 0.99517702941373 0.25000000000000 0.34560167457489 15.999 > 91 92 O 0.99517702941373 0.58333333333333 0.34560167457489 15.999 > 91 93 O 0.99517702941373 0.91666666666667 0.34560167457489 15.999 > 91 94 O 0.99344052025332 0.08333333333333 0.10473728212766 15.999 > 94 95 O 0.99344052025332 0.41666666666667 0.10473728212766 15.999 > 94 96 O 0.99344052025332 0.75000000000000 0.10473728212766 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4327008 0.0000000 0.0000000 0.0000000 4.6277391 0.0000000 0.0000000 0.0000000 4.6003524 -------------------------- Born effective charges -------------------------- 1 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 2 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 3 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 4 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 5 Dy 4.2768943 0.0000000 0.0640630 0.0000000 3.8579461 0.0000000 -0.4043180 0.0000000 4.1077876 6 Dy 3.8472098 0.0000000 0.3118319 0.0000000 3.8912483 0.0000000 -0.0653765 0.0000000 3.6630309 7 Dy 3.8472098 0.0000000 -0.3118319 0.0000000 3.8912483 0.0000000 0.0653765 0.0000000 3.6630309 8 Dy 4.2768943 0.0000000 -0.0640630 0.0000000 3.8579461 0.0000000 0.4043180 0.0000000 4.1077876 9 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 10 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 11 Ti 3.5676423 0.0000000 0.1215256 0.0000000 5.1379976 0.0000000 0.4583217 0.0000000 4.6452288 12 Ti 3.5676423 0.0000000 -0.1215256 0.0000000 5.1379976 0.0000000 -0.4583217 0.0000000 4.6452288 13 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 14 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 15 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 16 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 17 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 18 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 19 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 20 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 21 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 22 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 23 O -2.5173069 0.0000000 0.0740240 0.0000000 -2.3796553 0.0000000 0.4293335 0.0000000 -2.5299692 24 O -3.5353462 0.0000000 -0.8154054 0.0000000 -1.8066339 0.0000000 -0.8031831 0.0000000 -1.2939934 25 O -1.8722280 0.0000000 -0.0949451 0.0000000 -2.2737025 0.0000000 -0.3337808 0.0000000 -3.6756881 26 O -1.5698384 0.0000000 0.0798005 0.0000000 -4.0154998 0.0000000 -0.0986215 0.0000000 -1.8115375 27 O -2.1970269 0.0000000 -0.3258810 0.0000000 -2.4117004 0.0000000 -0.3895062 0.0000000 -3.1048590 28 O -2.1970269 0.0000000 0.3258810 0.0000000 -2.4117004 0.0000000 0.3895062 0.0000000 -3.1048590 29 O -1.5698384 0.0000000 -0.0798005 0.0000000 -4.0154998 0.0000000 0.0986215 0.0000000 -1.8115375 30 O -1.8722280 0.0000000 0.0949451 0.0000000 -2.2737025 0.0000000 0.3337808 0.0000000 -3.6756881 31 O -3.5353462 0.0000000 0.8154054 0.0000000 -1.8066339 0.0000000 0.8031831 0.0000000 -1.2939934 32 O -2.5173069 0.0000000 -0.0740240 0.0000000 -2.3796553 0.0000000 -0.4293335 0.0000000 -2.5299692 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] 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: 0.55, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.153 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 13.046 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 15.183 ( 0.000 0.000 0.000) 0.000 15.321 ( 0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 18.356 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 18.720 ( 0.000 0.000 0.000) 0.000 19.827 ( 0.000 0.000 0.000) 0.000 20.113 ( 0.000 0.000 0.000) 0.000 20.757 ( 0.000 0.000 0.000) 0.000 21.216 ( 0.000 0.000 0.000) 0.000 21.247 ( 0.000 0.000 0.000) 0.000 23.784 ( 0.000 0.000 0.000) 0.000 24.568 ( 0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 0.000) 0.000 25.570 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 28.510 0.000 0.000) 28.510 0.605 ( 30.814 0.000 0.000) 30.814 0.982 ( 50.591 0.000 0.000) 50.591 2.098 ( -16.065 0.000 0.000) 16.065 2.170 ( -19.235 0.000 0.000) 19.235 2.305 ( 7.576 0.000 0.000) 7.576 2.342 ( -1.754 0.000 0.000) 1.754 2.555 ( -3.471 0.000 0.000) 3.471 2.605 ( 5.863 0.000 0.000) 5.863 2.614 ( 3.532 0.000 0.000) 3.532 2.870 ( -14.035 0.000 0.000) 14.035 2.970 ( -4.285 0.000 0.000) 4.285 3.021 ( -7.595 0.000 0.000) 7.595 3.270 ( 7.624 0.000 0.000) 7.624 3.289 ( 5.324 0.000 0.000) 5.324 3.343 ( 3.051 0.000 0.000) 3.051 3.456 ( -7.297 0.000 0.000) 7.297 3.636 ( 14.002 0.000 0.000) 14.002 3.831 ( 4.680 0.000 0.000) 4.680 4.107 ( -15.393 0.000 0.000) 15.393 4.251 ( 6.246 0.000 0.000) 6.246 4.443 ( -8.237 0.000 0.000) 8.237 4.879 ( 2.751 0.000 0.000) 2.751 4.918 ( 4.139 0.000 0.000) 4.139 5.041 ( 4.809 0.000 0.000) 4.809 5.088 ( -2.941 0.000 0.000) 2.941 5.120 ( -2.649 0.000 0.000) 2.649 5.201 ( -2.897 0.000 0.000) 2.897 5.715 ( 2.406 0.000 0.000) 2.406 6.042 ( 7.058 0.000 0.000) 7.058 6.063 ( -4.854 0.000 0.000) 4.854 6.400 ( -5.905 0.000 0.000) 5.905 6.978 ( 9.523 0.000 0.000) 9.523 7.212 ( 0.723 0.000 0.000) 0.723 7.313 ( 2.625 0.000 0.000) 2.625 7.533 ( 2.973 0.000 0.000) 2.973 7.581 ( 11.117 0.000 0.000) 11.117 7.759 ( -14.501 0.000 0.000) 14.501 8.064 ( 1.075 0.000 0.000) 1.075 8.072 ( 4.626 0.000 0.000) 4.626 8.101 ( -2.520 0.000 0.000) 2.520 8.154 ( -1.119 0.000 0.000) 1.119 8.466 ( 14.155 0.000 0.000) 14.155 8.500 ( -8.597 0.000 0.000) 8.597 8.832 ( 6.537 0.000 0.000) 6.537 9.005 ( 3.470 0.000 0.000) 3.470 9.214 ( 1.494 0.000 0.000) 1.494 9.386 ( -3.267 0.000 0.000) 3.267 9.403 ( -3.456 0.000 0.000) 3.456 9.517 ( 3.745 0.000 0.000) 3.745 9.657 ( -13.880 0.000 0.000) 13.880 9.765 ( -15.885 0.000 0.000) 15.885 9.826 ( -1.111 0.000 0.000) 1.111 10.299 ( 12.519 0.000 0.000) 12.519 10.313 ( 1.178 0.000 0.000) 1.178 10.664 ( -5.963 0.000 0.000) 5.963 10.838 ( -4.794 0.000 0.000) 4.794 11.195 ( 3.762 0.000 0.000) 3.762 11.364 ( -14.590 0.000 0.000) 14.590 11.422 ( -2.100 0.000 0.000) 2.100 11.476 ( 7.254 0.000 0.000) 7.254 11.717 ( 1.485 0.000 0.000) 1.485 11.904 ( 0.919 0.000 0.000) 0.919 11.927 ( 0.484 0.000 0.000) 0.484 12.937 ( 1.196 0.000 0.000) 1.196 13.035 ( -1.105 0.000 0.000) 1.105 13.154 ( -0.148 0.000 0.000) 0.148 13.286 ( -3.081 0.000 0.000) 3.081 13.512 ( 1.900 0.000 0.000) 1.900 13.517 ( 1.012 0.000 0.000) 1.012 13.994 ( 0.269 0.000 0.000) 0.269 14.017 ( -0.264 0.000 0.000) 0.264 14.053 ( 6.686 0.000 0.000) 6.686 14.110 ( 7.489 0.000 0.000) 7.489 14.538 ( 10.242 0.000 0.000) 10.242 15.085 ( -1.681 0.000 0.000) 1.681 15.196 ( 1.295 0.000 0.000) 1.295 15.314 ( -0.607 0.000 0.000) 0.607 15.346 ( 1.790 0.000 0.000) 1.790 16.130 ( -15.418 0.000 0.000) 15.418 17.155 ( 0.613 0.000 0.000) 0.613 17.158 ( -0.365 0.000 0.000) 0.365 18.356 ( 0.019 0.000 0.000) 0.019 18.358 ( -0.045 0.000 0.000) 0.045 18.502 ( 0.056 0.000 0.000) 0.056 18.506 ( -0.027 0.000 0.000) 0.027 19.869 ( 4.157 0.000 0.000) 4.157 20.106 ( 0.645 0.000 0.000) 0.645 20.143 ( 3.751 0.000 0.000) 3.751 20.723 ( -4.208 0.000 0.000) 4.208 21.103 ( -9.507 0.000 0.000) 9.507 21.283 ( -11.977 0.000 0.000) 11.977 23.952 ( 15.224 0.000 0.000) 15.224 24.800 ( -7.861 0.000 0.000) 7.861 25.675 ( 9.445 0.000 0.000) 9.445 26.173 ( -3.792 0.000 0.000) 3.792 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 28.340 0.000 0.000) 28.340 1.191 ( 29.160 0.000 0.000) 29.160 1.601 ( -17.058 0.000 0.000) 17.058 1.727 ( -25.685 0.000 0.000) 25.685 2.007 ( 33.435 0.000 0.000) 33.435 2.320 ( -1.516 0.000 0.000) 1.516 2.443 ( 5.516 0.000 0.000) 5.516 2.496 ( -2.001 0.000 0.000) 2.001 2.660 ( -2.695 0.000 0.000) 2.695 2.705 ( 5.083 0.000 0.000) 5.083 2.712 ( 4.966 0.000 0.000) 4.966 2.868 ( -5.250 0.000 0.000) 5.250 2.880 ( -6.296 0.000 0.000) 6.296 3.075 ( -32.981 0.000 0.000) 32.981 3.368 ( 2.629 0.000 0.000) 2.629 3.386 ( 0.810 0.000 0.000) 0.810 3.439 ( 9.257 0.000 0.000) 9.257 3.640 ( -12.781 0.000 0.000) 12.781 3.880 ( 10.514 0.000 0.000) 10.514 4.008 ( -1.727 0.000 0.000) 1.727 4.422 ( 8.177 0.000 0.000) 8.177 4.448 ( 3.966 0.000 0.000) 3.966 4.956 ( 4.737 0.000 0.000) 4.737 4.993 ( -4.338 0.000 0.000) 4.338 5.015 ( -5.034 0.000 0.000) 5.034 5.017 ( 5.595 0.000 0.000) 5.595 5.049 ( -4.513 0.000 0.000) 4.513 5.122 ( -4.996 0.000 0.000) 4.996 5.810 ( 6.435 0.000 0.000) 6.435 5.942 ( -6.929 0.000 0.000) 6.929 6.181 ( 6.455 0.000 0.000) 6.455 6.289 ( -5.215 0.000 0.000) 5.215 7.188 ( 9.491 0.000 0.000) 9.491 7.267 ( 6.355 0.000 0.000) 6.355 7.297 ( -3.620 0.000 0.000) 3.620 7.481 ( -13.074 0.000 0.000) 13.074 7.730 ( 15.342 0.000 0.000) 15.342 7.814 ( 11.498 0.000 0.000) 11.498 8.006 ( -7.327 0.000 0.000) 7.327 8.044 ( -12.289 0.000 0.000) 12.289 8.092 ( 1.692 0.000 0.000) 1.692 8.126 ( -1.685 0.000 0.000) 1.685 8.453 ( 8.634 0.000 0.000) 8.634 8.621 ( -1.639 0.000 0.000) 1.639 9.001 ( 9.806 0.000 0.000) 9.806 9.084 ( 3.247 0.000 0.000) 3.247 9.233 ( -0.819 0.000 0.000) 0.819 9.279 ( -7.508 0.000 0.000) 7.508 9.348 ( -0.113 0.000 0.000) 0.113 9.426 ( -8.078 0.000 0.000) 8.078 9.481 ( -7.917 0.000 0.000) 7.917 9.491 ( -4.968 0.000 0.000) 4.968 9.943 ( 12.291 0.000 0.000) 12.291 10.207 ( -12.516 0.000 0.000) 12.516 10.529 ( 10.797 0.000 0.000) 10.797 10.712 ( -7.998 0.000 0.000) 7.998 10.724 ( 12.800 0.000 0.000) 12.800 11.042 ( -17.681 0.000 0.000) 17.681 11.280 ( 4.621 0.000 0.000) 4.621 11.364 ( -3.813 0.000 0.000) 3.813 11.623 ( 7.475 0.000 0.000) 7.475 11.741 ( -2.305 0.000 0.000) 2.305 11.860 ( -1.060 0.000 0.000) 1.060 11.902 ( -2.896 0.000 0.000) 2.896 12.968 ( 1.887 0.000 0.000) 1.887 13.005 ( -1.831 0.000 0.000) 1.831 13.184 ( 2.961 0.000 0.000) 2.961 13.241 ( -2.386 0.000 0.000) 2.386 13.534 ( 0.642 0.000 0.000) 0.642 13.537 ( 0.544 0.000 0.000) 0.544 14.001 ( 0.433 0.000 0.000) 0.433 14.010 ( -0.430 0.000 0.000) 0.430 14.184 ( 5.193 0.000 0.000) 5.193 14.214 ( 2.318 0.000 0.000) 2.318 14.811 ( 15.094 0.000 0.000) 15.094 15.019 ( -5.990 0.000 0.000) 5.990 15.233 ( 2.476 0.000 0.000) 2.476 15.285 ( -2.407 0.000 0.000) 2.407 15.442 ( 9.770 0.000 0.000) 9.770 15.756 ( -20.628 0.000 0.000) 20.628 17.154 ( 0.033 0.000 0.000) 0.033 17.158 ( -0.209 0.000 0.000) 0.209 18.356 ( 0.043 0.000 0.000) 0.043 18.357 ( -0.059 0.000 0.000) 0.059 18.503 ( 0.076 0.000 0.000) 0.076 18.505 ( -0.058 0.000 0.000) 0.058 19.975 ( 6.146 0.000 0.000) 6.146 20.078 ( -3.689 0.000 0.000) 3.689 20.291 ( 11.305 0.000 0.000) 11.305 20.549 ( -13.353 0.000 0.000) 13.353 20.979 ( -1.025 0.000 0.000) 1.025 21.061 ( -8.878 0.000 0.000) 8.878 24.287 ( 17.477 0.000 0.000) 17.477 24.592 ( -13.402 0.000 0.000) 13.402 25.880 ( 10.621 0.000 0.000) 10.621 26.061 ( -7.648 0.000 0.000) 7.648 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 31.992 0.000) 31.992 0.720 ( 0.000 36.009 0.000) 36.009 1.124 ( 0.000 55.592 0.000) 55.592 2.269 ( 0.000 9.041 0.000) 9.041 2.304 ( 0.000 -2.202 0.000) 2.202 2.371 ( 0.000 5.897 0.000) 5.897 2.573 ( 0.000 7.221 0.000) 7.221 2.589 ( 0.000 10.249 0.000) 10.249 2.606 ( 0.000 1.696 0.000) 1.696 2.646 ( 0.000 8.175 0.000) 8.175 3.061 ( 0.000 3.408 0.000) 3.408 3.093 ( 0.000 -2.550 0.000) 2.550 3.103 ( 0.000 8.288 0.000) 8.288 3.213 ( 0.000 -7.079 0.000) 7.079 3.232 ( 0.000 7.454 0.000) 7.454 3.403 ( 0.000 11.311 0.000) 11.311 3.425 ( 0.000 4.667 0.000) 4.667 3.592 ( 0.000 6.814 0.000) 6.814 3.790 ( 0.000 5.871 0.000) 5.871 4.116 ( 0.000 -8.899 0.000) 8.899 4.226 ( 0.000 5.556 0.000) 5.556 4.625 ( 0.000 -2.128 0.000) 2.128 4.849 ( 0.000 1.571 0.000) 1.571 5.095 ( 0.000 -0.836 0.000) 0.836 5.159 ( 0.000 25.442 0.000) 25.442 5.314 ( 0.000 30.706 0.000) 30.706 5.398 ( 0.000 23.639 0.000) 23.639 5.521 ( 0.000 27.396 0.000) 27.396 5.746 ( 0.000 3.934 0.000) 3.934 5.827 ( 0.000 -0.199 0.000) 0.199 6.146 ( 0.000 4.220 0.000) 4.220 6.453 ( 0.000 -0.809 0.000) 0.809 6.883 ( 0.000 0.504 0.000) 0.504 7.067 ( 0.000 -0.372 0.000) 0.372 7.259 ( 0.000 4.639 0.000) 4.639 7.271 ( 0.000 -0.212 0.000) 0.212 7.511 ( 0.000 6.145 0.000) 6.145 7.558 ( 0.000 3.862 0.000) 3.862 7.924 ( 0.000 -6.424 0.000) 6.424 8.075 ( 0.000 -1.887 0.000) 1.887 8.206 ( 0.000 -3.276 0.000) 3.276 8.280 ( 0.000 6.993 0.000) 6.993 8.661 ( 0.000 7.421 0.000) 7.421 8.770 ( 0.000 -8.013 0.000) 8.013 8.902 ( 0.000 8.274 0.000) 8.274 8.928 ( 0.000 14.119 0.000) 14.119 9.085 ( 0.000 6.831 0.000) 6.831 9.204 ( 0.000 -11.597 0.000) 11.597 9.255 ( 0.000 5.715 0.000) 5.715 9.463 ( 0.000 1.755 0.000) 1.755 9.725 ( 0.000 17.052 0.000) 17.052 9.867 ( 0.000 0.336 0.000) 0.336 9.965 ( 0.000 8.658 0.000) 8.658 10.240 ( 0.000 8.923 0.000) 8.923 10.596 ( 0.000 -2.441 0.000) 2.441 10.809 ( 0.000 -5.446 0.000) 5.446 11.067 ( 0.000 -7.199 0.000) 7.199 11.378 ( 0.000 -1.283 0.000) 1.283 11.522 ( 0.000 7.591 0.000) 7.591 11.523 ( 0.000 -1.035 0.000) 1.035 11.752 ( 0.000 -2.286 0.000) 2.286 11.943 ( 0.000 3.213 0.000) 3.213 11.961 ( 0.000 13.824 0.000) 13.824 12.056 ( 0.000 -3.373 0.000) 3.373 12.670 ( 0.000 -22.030 0.000) 22.030 12.790 ( 0.000 -17.881 0.000) 17.881 13.031 ( 0.000 -30.030 0.000) 30.030 13.144 ( 0.000 -28.859 0.000) 28.859 13.461 ( 0.000 5.621 0.000) 5.621 13.781 ( 0.000 7.446 0.000) 7.446 13.947 ( 0.000 -2.927 0.000) 2.927 13.957 ( 0.000 -3.623 0.000) 3.623 14.252 ( 0.000 14.847 0.000) 14.847 14.502 ( 0.000 5.647 0.000) 5.647 14.926 ( 0.000 18.759 0.000) 18.759 15.188 ( 0.000 0.275 0.000) 0.275 15.327 ( 0.000 -0.284 0.000) 0.284 15.413 ( 0.000 8.937 0.000) 8.937 15.834 ( 0.000 -0.332 0.000) 0.332 16.234 ( 0.000 -3.996 0.000) 3.996 17.216 ( 0.000 7.075 0.000) 7.075 17.222 ( 0.000 6.024 0.000) 6.024 17.969 ( 0.000 -30.645 0.000) 30.645 18.096 ( 0.000 -32.663 0.000) 32.663 18.161 ( 0.000 -18.337 0.000) 18.337 19.203 ( 0.000 25.031 0.000) 25.031 19.868 ( 0.000 -22.445 0.000) 22.445 20.126 ( 0.000 19.274 0.000) 19.274 20.969 ( 0.000 19.887 0.000) 19.887 21.266 ( 0.000 7.149 0.000) 7.149 21.327 ( 0.000 8.294 0.000) 8.294 21.525 ( 0.000 9.911 0.000) 9.911 23.800 ( 0.000 1.529 0.000) 1.529 24.496 ( 0.000 -6.986 0.000) 6.986 24.802 ( 0.000 -7.937 0.000) 7.937 25.457 ( 0.000 -11.251 0.000) 11.251 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 21.040 20.948 0.000) 29.690 0.899 ( 16.774 28.293 0.000) 32.892 1.474 ( 29.995 40.724 0.000) 50.578 2.183 ( -15.933 8.092 0.000) 17.871 2.227 ( -12.656 3.208 0.000) 13.056 2.348 ( 6.525 5.577 0.000) 8.584 2.388 ( -5.690 6.779 0.000) 8.851 2.598 ( -3.568 5.348 0.000) 6.429 2.645 ( 3.826 2.075 0.000) 4.353 2.712 ( 5.160 9.464 0.000) 10.780 2.868 ( -11.675 1.988 0.000) 11.843 2.992 ( -7.565 1.006 0.000) 7.631 3.115 ( -4.162 9.010 0.000) 9.925 3.292 ( 5.778 3.806 0.000) 6.919 3.315 ( 4.902 1.142 0.000) 5.033 3.367 ( 4.281 6.778 0.000) 8.017 3.545 ( -4.383 7.103 0.000) 8.347 3.646 ( 11.789 1.651 0.000) 11.904 3.872 ( 3.414 4.026 0.000) 5.279 4.004 ( -11.345 -6.853 0.000) 13.254 4.279 ( 5.495 4.432 0.000) 7.060 4.463 ( -8.551 2.789 0.000) 8.994 4.891 ( 3.152 0.063 0.000) 3.152 5.074 ( -2.915 -0.722 0.000) 3.003 5.188 ( 2.835 25.704 0.000) 25.860 5.386 ( -1.088 25.040 0.000) 25.064 5.390 ( 4.708 29.121 0.000) 29.499 5.509 ( -1.613 28.343 0.000) 28.389 5.731 ( 1.737 2.151 0.000) 2.765 5.991 ( 9.983 -2.614 0.000) 10.319 6.095 ( -5.231 3.941 0.000) 6.550 6.378 ( -6.407 -1.424 0.000) 6.563 6.967 ( 7.858 -0.783 0.000) 7.897 7.185 ( 5.138 -9.464 0.000) 10.769 7.253 ( 0.376 4.325 0.000) 4.341 7.389 ( 9.075 -6.147 0.000) 10.961 7.577 ( 3.828 4.596 0.000) 5.982 7.620 ( 9.123 4.413 0.000) 10.134 7.933 ( -8.487 -0.225 0.000) 8.490 7.951 ( 2.474 -6.814 0.000) 7.249 8.231 ( -1.049 -3.205 0.000) 3.372 8.288 ( -0.716 5.714 0.000) 5.758 8.582 ( -4.917 9.921 0.000) 11.072 8.769 ( 3.552 8.913 0.000) 9.595 8.961 ( 3.106 -0.927 0.000) 3.241 8.996 ( 6.115 13.840 0.000) 15.130 9.183 ( -2.165 -10.393 0.000) 10.616 9.249 ( 0.181 3.069 0.000) 3.074 9.253 ( 9.519 -5.863 0.000) 11.180 9.466 ( 1.902 2.868 0.000) 3.441 9.789 ( -10.820 1.702 0.000) 10.953 9.815 ( 4.787 20.200 0.000) 20.759 9.902 ( -2.575 7.056 0.000) 7.512 10.133 ( -5.810 10.365 0.000) 11.882 10.568 ( -0.345 -2.067 0.000) 2.096 10.764 ( -3.603 -4.927 0.000) 6.104 11.082 ( 0.724 -8.965 0.000) 8.994 11.305 ( -7.220 -2.032 0.000) 7.501 11.391 ( -11.673 0.820 0.000) 11.702 11.519 ( -13.620 13.460 0.000) 19.149 11.718 ( -7.472 10.819 0.000) 13.148 11.780 ( 4.044 2.252 0.000) 4.629 12.003 ( 0.749 11.152 0.000) 11.177 12.041 ( 1.012 9.411 0.000) 9.465 12.675 ( 0.498 -22.375 0.000) 22.380 12.752 ( -2.969 -19.680 0.000) 19.903 13.090 ( 4.351 -30.243 0.000) 30.554 13.145 ( 0.191 -28.699 0.000) 28.699 13.416 ( -2.905 4.921 0.000) 5.714 13.615 ( -17.436 22.079 0.000) 28.134 13.949 ( 2.263 -4.022 0.000) 4.615 14.029 ( 4.067 -3.120 0.000) 5.125 14.284 ( 3.431 14.467 0.000) 14.868 14.572 ( -20.284 33.151 0.000) 38.864 14.620 ( 12.509 7.430 0.000) 14.549 15.213 ( 1.550 2.322 0.000) 2.792 15.319 ( -0.875 0.009 0.000) 0.875 15.408 ( -14.405 22.851 0.000) 27.012 15.423 ( 1.142 8.106 0.000) 8.186 16.098 ( -14.535 -3.169 0.000) 14.877 17.213 ( 0.200 6.254 0.000) 6.258 17.218 ( -0.338 6.031 0.000) 6.041 17.993 ( 1.699 -31.435 0.000) 31.481 18.077 ( -1.459 -31.055 0.000) 31.089 18.190 ( 2.470 -19.071 0.000) 19.230 18.605 ( -24.354 10.463 0.000) 26.507 20.093 ( 11.810 -4.254 0.000) 12.553 20.171 ( 4.462 19.045 0.000) 19.560 20.760 ( -19.719 40.697 0.000) 45.222 20.926 ( -5.842 18.844 0.000) 19.728 21.165 ( -7.621 9.062 0.000) 11.841 21.384 ( -11.267 11.151 0.000) 15.852 23.902 ( 13.938 -3.971 0.000) 14.493 24.723 ( -7.655 -7.682 0.000) 10.845 25.461 ( 35.652 -44.351 0.000) 56.904 25.547 ( 7.961 -12.597 0.000) 14.901 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 23.045 18.248 0.000) 29.394 1.328 ( 26.279 11.511 0.000) 28.690 1.756 ( -20.020 13.576 0.000) 24.189 1.836 ( -24.032 8.694 0.000) 25.556 2.156 ( 27.323 16.584 0.000) 31.962 2.368 ( 0.106 5.509 0.000) 5.510 2.462 ( 4.811 2.830 0.000) 5.582 2.535 ( -2.482 5.034 0.000) 5.612 2.667 ( -3.200 1.574 0.000) 3.567 2.791 ( 7.170 8.033 0.000) 10.768 2.811 ( 3.643 7.821 0.000) 8.628 2.814 ( -10.513 -0.827 0.000) 10.546 3.011 ( -3.417 12.212 0.000) 12.681 3.212 ( -19.070 11.140 0.000) 22.086 3.428 ( 5.246 3.983 0.000) 6.587 3.453 ( 5.859 3.889 0.000) 7.032 3.466 ( -1.114 7.507 0.000) 7.589 3.635 ( -13.023 0.067 0.000) 13.023 3.857 ( 9.464 -1.234 0.000) 9.544 3.975 ( -1.584 -1.417 0.000) 2.126 4.404 ( 5.043 0.741 0.000) 5.097 4.420 ( 1.756 0.039 0.000) 1.756 4.945 ( 1.914 -0.197 0.000) 1.924 4.993 ( -4.002 0.662 0.000) 4.057 5.261 ( 4.394 26.389 0.000) 26.753 5.344 ( -3.523 26.617 0.000) 26.849 5.439 ( 0.861 32.265 0.000) 32.277 5.465 ( -2.187 31.177 0.000) 31.253 5.819 ( 6.566 1.243 0.000) 6.683 5.962 ( -7.713 2.542 0.000) 8.121 6.150 ( 6.392 -2.968 0.000) 7.048 6.257 ( -5.445 -2.946 0.000) 6.191 7.131 ( 7.201 -4.271 0.000) 8.372 7.214 ( -1.612 -7.160 0.000) 7.339 7.297 ( 4.618 3.261 0.000) 5.653 7.415 ( -5.237 -2.293 0.000) 5.717 7.767 ( 12.965 4.050 0.000) 13.583 7.787 ( 6.191 -0.430 0.000) 6.206 7.852 ( 0.202 -4.461 0.000) 4.466 7.991 ( -0.880 -3.097 0.000) 3.220 8.149 ( -9.717 0.198 0.000) 9.720 8.161 ( -5.151 -1.367 0.000) 5.329 8.653 ( 11.693 16.260 0.000) 20.028 8.838 ( -1.498 14.669 0.000) 14.746 9.007 ( 2.345 -5.923 0.000) 6.370 9.079 ( -2.390 -3.957 0.000) 4.623 9.194 ( 8.100 6.560 0.000) 10.423 9.265 ( 1.177 0.160 0.000) 1.188 9.291 ( -1.847 -4.523 0.000) 4.885 9.437 ( -14.659 8.942 0.000) 17.172 9.591 ( 2.690 6.988 0.000) 7.488 9.705 ( -8.037 11.923 0.000) 14.379 10.047 ( 8.382 11.216 0.000) 14.002 10.111 ( 0.877 4.577 0.000) 4.660 10.681 ( 12.461 -4.269 0.000) 13.172 10.734 ( 2.950 3.339 0.000) 4.456 10.964 ( -20.345 19.018 0.000) 27.849 10.977 ( -14.169 -8.124 0.000) 16.333 11.238 ( -0.282 -0.295 0.000) 0.408 11.293 ( -4.843 -0.692 0.000) 4.893 11.787 ( 6.110 6.107 0.000) 8.639 11.864 ( 1.534 0.422 0.000) 1.591 11.967 ( -1.186 17.672 0.000) 17.712 12.023 ( -3.288 14.017 0.000) 14.398 12.688 ( 0.764 -22.612 0.000) 22.625 12.708 ( -1.445 -22.198 0.000) 22.245 13.150 ( 1.256 -30.118 0.000) 30.144 13.152 ( 0.426 -28.724 0.000) 28.727 13.369 ( -2.022 5.796 0.000) 6.139 13.372 ( -4.696 15.081 0.000) 15.796 14.014 ( 3.279 -2.852 0.000) 4.345 14.056 ( -0.820 -1.832 0.000) 2.008 14.362 ( 3.529 13.780 0.000) 14.224 14.409 ( -2.195 18.655 0.000) 18.783 14.954 ( 19.035 11.803 0.000) 22.398 15.216 ( -5.471 12.165 0.000) 13.338 15.264 ( -1.144 7.679 0.000) 7.763 15.292 ( -1.877 0.847 0.000) 2.059 15.482 ( 6.417 4.512 0.000) 7.845 15.741 ( -19.307 -1.428 0.000) 19.360 17.214 ( -0.027 5.982 0.000) 5.982 17.216 ( -0.074 5.812 0.000) 5.813 18.023 ( 1.384 -31.274 0.000) 31.304 18.049 ( -1.378 -30.846 0.000) 30.877 18.249 ( 3.611 -16.400 0.000) 16.793 18.344 ( -7.037 -9.013 0.000) 11.435 20.288 ( 6.895 17.276 0.000) 18.601 20.310 ( 9.250 1.595 0.000) 9.387 20.543 ( -4.524 33.838 0.000) 34.139 20.699 ( -15.068 16.636 0.000) 22.446 21.096 ( 0.753 14.242 0.000) 14.262 21.180 ( -7.974 13.553 0.000) 15.725 24.222 ( 16.985 -6.161 0.000) 18.068 24.519 ( -13.103 -7.119 0.000) 14.912 25.706 ( 7.001 -16.742 0.000) 18.146 25.766 ( 2.698 -26.176 0.000) 26.315 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 31.094 0.000) 31.094 1.388 ( 0.000 32.029 0.000) 32.029 2.136 ( 0.000 47.098 0.000) 47.098 2.337 ( 0.000 5.897 0.000) 5.897 2.474 ( 0.000 10.234 0.000) 10.234 2.563 ( 0.000 14.805 0.000) 14.805 2.635 ( 0.000 1.931 0.000) 1.931 2.719 ( 0.000 6.899 0.000) 6.899 2.723 ( 0.000 8.118 0.000) 8.118 2.944 ( 0.000 12.476 0.000) 12.476 3.099 ( 0.000 2.941 0.000) 2.941 3.114 ( 0.000 1.435 0.000) 1.435 3.157 ( 0.000 6.054 0.000) 6.054 3.298 ( 0.000 10.807 0.000) 10.807 3.368 ( 0.000 4.941 0.000) 4.941 3.630 ( 0.000 11.606 0.000) 11.606 3.631 ( 0.000 16.801 0.000) 16.801 3.755 ( 0.000 9.509 0.000) 9.509 3.931 ( 0.000 0.613 0.000) 0.613 3.963 ( 0.000 0.226 0.000) 0.226 4.385 ( 0.000 10.147 0.000) 10.147 4.649 ( 0.000 4.547 0.000) 4.547 4.901 ( 0.000 3.684 0.000) 3.684 5.069 ( 0.000 -1.768 0.000) 1.768 5.668 ( 0.000 20.919 0.000) 20.919 5.787 ( 0.000 6.096 0.000) 6.096 5.795 ( 0.000 12.208 0.000) 12.208 5.820 ( 0.000 -0.227 0.000) 0.227 6.066 ( 0.000 35.758 0.000) 35.758 6.162 ( 0.000 33.911 0.000) 33.911 6.344 ( 0.000 18.617 0.000) 18.617 6.545 ( 0.000 13.380 0.000) 13.380 6.900 ( 0.000 1.388 0.000) 1.388 7.067 ( 0.000 0.809 0.000) 0.809 7.260 ( 0.000 -0.405 0.000) 0.405 7.404 ( 0.000 10.740 0.000) 10.740 7.683 ( 0.000 8.831 0.000) 8.831 7.694 ( 0.000 12.488 0.000) 12.488 7.803 ( 0.000 -5.736 0.000) 5.736 8.072 ( 0.000 2.501 0.000) 2.501 8.101 ( 0.000 -7.874 0.000) 7.874 8.381 ( 0.000 4.038 0.000) 4.038 8.631 ( 0.000 -5.290 0.000) 5.290 8.898 ( 0.000 15.869 0.000) 15.869 9.026 ( 0.000 -5.811 0.000) 5.811 9.103 ( 0.000 12.028 0.000) 12.028 9.214 ( 0.000 13.929 0.000) 13.929 9.241 ( 0.000 10.141 0.000) 10.141 9.413 ( 0.000 10.019 0.000) 10.019 9.534 ( 0.000 5.972 0.000) 5.972 9.872 ( 0.000 0.935 0.000) 0.935 10.075 ( 0.000 6.424 0.000) 6.424 10.170 ( 0.000 21.361 0.000) 21.361 10.341 ( 0.000 -0.778 0.000) 0.778 10.687 ( 0.000 12.699 0.000) 12.699 10.797 ( 0.000 6.468 0.000) 6.468 10.945 ( 0.000 -3.793 0.000) 3.793 11.325 ( 0.000 -4.406 0.000) 4.406 11.431 ( 0.000 -10.610 0.000) 10.610 11.679 ( 0.000 -2.696 0.000) 2.696 11.709 ( 0.000 9.874 0.000) 9.874 11.903 ( 0.000 -14.588 0.000) 14.588 12.036 ( 0.000 6.066 0.000) 6.066 12.247 ( 0.000 11.912 0.000) 11.912 12.280 ( 0.000 -11.263 0.000) 11.263 12.364 ( 0.000 -37.673 0.000) 37.673 12.491 ( 0.000 -11.692 0.000) 11.692 12.518 ( 0.000 -31.819 0.000) 31.819 13.504 ( 0.000 -0.652 0.000) 0.652 13.771 ( 0.000 -7.788 0.000) 7.788 13.853 ( 0.000 -7.004 0.000) 7.004 13.924 ( 0.000 0.328 0.000) 0.328 14.516 ( 0.000 12.016 0.000) 12.016 14.640 ( 0.000 7.717 0.000) 7.717 15.181 ( 0.000 -1.332 0.000) 1.332 15.321 ( 0.000 -0.020 0.000) 0.020 15.324 ( 0.000 20.238 0.000) 20.238 15.634 ( 0.000 12.658 0.000) 12.658 15.827 ( 0.000 -0.191 0.000) 0.191 16.123 ( 0.000 -7.324 0.000) 7.324 17.388 ( 0.000 10.199 0.000) 10.199 17.407 ( 0.000 12.026 0.000) 12.026 17.421 ( 0.000 -24.925 0.000) 24.925 17.452 ( 0.000 -30.924 0.000) 30.924 17.718 ( 0.000 -25.094 0.000) 25.094 19.336 ( 0.000 -30.342 0.000) 30.342 19.562 ( 0.000 11.273 0.000) 11.273 20.292 ( 0.000 -2.953 0.000) 2.953 21.442 ( 0.000 26.475 0.000) 26.475 21.557 ( 0.000 14.249 0.000) 14.249 21.562 ( 0.000 21.584 0.000) 21.584 21.709 ( 0.000 7.762 0.000) 7.762 23.841 ( 0.000 2.496 0.000) 2.496 24.321 ( 0.000 -10.042 0.000) 10.042 24.588 ( 0.000 -13.397 0.000) 13.397 25.153 ( 0.000 -19.256 0.000) 19.256 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 8.686 26.320 0.000) 27.716 1.479 ( 9.190 29.415 0.000) 30.817 2.292 ( 11.710 38.207 0.000) 39.961 2.317 ( -5.879 7.265 0.000) 9.345 2.374 ( -10.561 10.972 0.000) 15.229 2.523 ( -9.743 5.673 0.000) 11.274 2.540 ( 1.738 14.629 0.000) 14.732 2.689 ( 5.212 3.824 0.000) 6.464 2.763 ( -2.013 9.019 0.000) 9.241 2.923 ( 1.831 9.375 0.000) 9.552 2.972 ( -6.316 8.517 0.000) 10.603 3.036 ( -6.238 7.680 0.000) 9.894 3.277 ( 6.721 5.940 0.000) 8.970 3.433 ( 7.751 9.544 0.000) 12.295 3.438 ( 0.581 8.123 0.000) 8.144 3.523 ( 0.527 10.313 0.000) 10.326 3.703 ( -4.195 8.457 0.000) 9.440 3.748 ( 5.705 10.168 0.000) 11.659 3.889 ( -7.420 -3.484 0.000) 8.198 3.989 ( 2.836 5.906 0.000) 6.551 4.423 ( 3.534 9.623 0.000) 10.251 4.569 ( -6.293 8.267 0.000) 10.390 4.911 ( 1.693 2.155 0.000) 2.740 5.058 ( -1.406 -0.864 0.000) 1.650 5.680 ( 1.974 17.975 0.000) 18.084 5.774 ( 1.792 4.020 0.000) 4.401 5.881 ( 7.014 12.664 0.000) 14.476 5.939 ( 7.754 -0.714 0.000) 7.787 6.042 ( -2.197 35.853 0.000) 35.920 6.172 ( 0.671 34.805 0.000) 34.811 6.292 ( -5.226 18.598 0.000) 19.318 6.472 ( -7.032 16.945 0.000) 18.346 6.963 ( 5.784 0.736 0.000) 5.830 7.100 ( 2.523 -0.339 0.000) 2.546 7.313 ( 4.804 -3.078 0.000) 5.705 7.391 ( -0.545 10.329 0.000) 10.344 7.712 ( 3.884 9.248 0.000) 10.031 7.762 ( 5.588 9.770 0.000) 11.255 7.822 ( 2.068 -6.218 0.000) 6.552 7.976 ( -7.059 5.121 0.000) 8.721 8.121 ( 0.542 -7.660 0.000) 7.679 8.359 ( -3.747 3.633 0.000) 5.219 8.720 ( 7.003 -5.817 0.000) 9.104 8.858 ( -0.982 16.056 0.000) 16.086 9.007 ( -2.143 -5.003 0.000) 5.443 9.120 ( 1.912 11.323 0.000) 11.483 9.244 ( 2.099 8.830 0.000) 9.076 9.262 ( 0.270 5.923 0.000) 5.929 9.424 ( 1.981 14.535 0.000) 14.670 9.579 ( 5.285 8.630 0.000) 10.120 9.848 ( -3.829 4.408 0.000) 5.839 10.038 ( -4.733 5.289 0.000) 7.098 10.240 ( 6.027 21.094 0.000) 21.938 10.309 ( -1.331 3.103 0.000) 3.377 10.593 ( -7.323 7.464 0.000) 10.456 10.755 ( -1.652 5.946 0.000) 6.171 10.936 ( -1.515 -4.007 0.000) 4.284 11.272 ( -4.894 -1.209 0.000) 5.041 11.347 ( -7.578 -6.362 0.000) 9.894 11.700 ( -12.798 4.298 0.000) 13.501 11.738 ( 5.033 -5.163 0.000) 7.210 11.763 ( 0.412 -2.290 0.000) 2.326 12.137 ( 6.244 1.130 0.000) 6.346 12.225 ( -1.846 -20.903 0.000) 20.985 12.259 ( 0.670 8.948 0.000) 8.973 12.419 ( -6.007 -14.501 0.000) 15.696 12.457 ( 5.678 -29.566 0.000) 30.107 12.535 ( 1.070 -26.882 0.000) 26.903 13.460 ( -1.950 0.093 0.000) 1.952 13.816 ( 4.117 -7.438 0.000) 8.502 13.858 ( -7.386 3.527 0.000) 8.185 13.925 ( 4.254 -7.227 0.000) 8.386 14.547 ( 3.241 12.086 0.000) 12.513 14.778 ( 13.984 7.755 0.000) 15.991 15.024 ( -14.189 10.958 0.000) 17.928 15.323 ( 0.176 0.809 0.000) 0.828 15.328 ( -0.351 12.394 0.000) 12.399 15.632 ( -0.119 12.339 0.000) 12.339 15.712 ( -7.642 8.630 0.000) 11.527 16.010 ( -12.030 -5.755 0.000) 13.336 17.353 ( -2.530 -4.701 0.000) 5.339 17.367 ( -1.697 1.540 0.000) 2.292 17.460 ( 0.622 -21.910 0.000) 21.919 17.465 ( 1.724 -9.173 0.000) 9.334 17.756 ( 3.873 -24.321 0.000) 24.627 18.618 ( -37.721 -9.747 0.000) 38.960 19.997 ( 17.927 -5.638 0.000) 18.792 20.311 ( 1.691 -4.498 0.000) 4.805 21.347 ( -12.879 22.372 0.000) 25.814 21.383 ( -7.340 26.400 0.000) 27.402 21.516 ( -2.149 23.828 0.000) 23.924 21.676 ( -5.603 15.115 0.000) 16.120 23.843 ( 7.469 -1.492 0.000) 7.616 24.517 ( -6.886 -12.800 0.000) 14.534 24.799 ( 30.063 -25.331 0.000) 39.312 25.213 ( 5.076 -20.669 0.000) 21.284 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 18.709 15.579 0.000) 24.346 1.726 ( 15.338 23.343 0.000) 27.931 2.003 ( -21.148 8.460 0.000) 22.778 2.058 ( -17.239 16.588 0.000) 23.924 2.494 ( 2.368 7.000 0.000) 7.390 2.509 ( 2.757 11.744 0.000) 12.063 2.650 ( 11.378 18.460 0.000) 21.684 2.718 ( -1.283 10.461 0.000) 10.539 2.734 ( -2.002 7.120 0.000) 7.396 2.867 ( -9.630 9.231 0.000) 13.340 3.004 ( 8.389 13.877 0.000) 16.216 3.016 ( 4.735 11.067 0.000) 12.038 3.299 ( -0.677 15.674 0.000) 15.688 3.451 ( -8.527 12.246 0.000) 14.923 3.482 ( 7.116 3.150 0.000) 7.782 3.611 ( 3.867 9.202 0.000) 9.981 3.632 ( -3.992 7.606 0.000) 8.590 3.680 ( -9.263 5.958 0.000) 11.014 3.872 ( 6.943 4.094 0.000) 8.060 3.985 ( -3.658 2.479 0.000) 4.419 4.488 ( 2.074 7.439 0.000) 7.723 4.500 ( -0.506 8.051 0.000) 8.067 4.961 ( 2.899 1.660 0.000) 3.341 5.015 ( -2.704 1.452 0.000) 3.069 5.746 ( 4.402 14.067 0.000) 14.740 5.811 ( -0.571 4.859 0.000) 4.893 6.017 ( 5.990 10.409 0.000) 12.010 6.027 ( 2.991 33.998 0.000) 34.129 6.065 ( 3.259 -4.239 0.000) 5.347 6.156 ( -7.992 21.571 0.000) 23.004 6.184 ( 2.067 37.063 0.000) 37.121 6.306 ( -8.825 23.159 0.000) 24.784 7.078 ( 4.841 -0.467 0.000) 4.864 7.128 ( -0.271 -0.830 0.000) 0.873 7.395 ( 2.265 -1.036 0.000) 2.491 7.397 ( 0.944 6.876 0.000) 6.941 7.819 ( 0.662 2.703 0.000) 2.783 7.830 ( 2.328 3.395 0.000) 4.117 7.891 ( 4.149 6.980 0.000) 8.120 7.918 ( 5.980 -3.655 0.000) 7.009 8.100 ( -2.272 -2.733 0.000) 3.554 8.193 ( -11.626 6.196 0.000) 13.174 8.848 ( 5.714 -6.061 0.000) 8.330 8.927 ( 0.743 -1.055 0.000) 1.290 8.976 ( 5.635 8.997 0.000) 10.616 9.149 ( -3.750 13.601 0.000) 14.108 9.217 ( -0.754 -0.538 0.000) 0.926 9.255 ( -1.329 3.940 0.000) 4.158 9.507 ( 6.487 16.743 0.000) 17.956 9.661 ( -6.304 12.662 0.000) 14.144 9.763 ( 4.898 11.413 0.000) 12.419 9.910 ( -7.680 10.220 0.000) 12.784 10.303 ( 0.397 11.909 0.000) 11.916 10.316 ( -0.563 12.519 0.000) 12.531 10.556 ( 7.460 -7.562 0.000) 10.622 10.769 ( -6.746 -5.750 0.000) 8.864 10.912 ( 7.993 9.485 0.000) 12.404 11.144 ( -9.238 4.259 0.000) 10.172 11.238 ( -0.763 -1.173 0.000) 1.399 11.373 ( -15.208 4.844 0.000) 15.961 11.818 ( 2.423 -2.502 0.000) 3.484 11.822 ( 2.475 -6.196 0.000) 6.672 12.195 ( 1.171 -10.430 0.000) 10.496 12.242 ( -2.947 -0.864 0.000) 3.071 12.261 ( 3.609 -9.543 0.000) 10.203 12.316 ( -3.113 -11.345 0.000) 11.765 12.542 ( 2.651 -26.094 0.000) 26.228 12.556 ( 0.742 -24.346 0.000) 24.358 13.480 ( 4.572 5.162 0.000) 6.896 13.648 ( -11.958 10.050 0.000) 15.620 13.904 ( 4.242 -7.620 0.000) 8.721 13.958 ( -0.858 -7.361 0.000) 7.410 14.633 ( 5.365 12.825 0.000) 13.902 14.769 ( -9.698 15.815 0.000) 18.552 15.141 ( 20.499 5.635 0.000) 21.259 15.309 ( -1.523 5.777 0.000) 5.975 15.337 ( 2.638 4.343 0.000) 5.082 15.583 ( -10.883 14.530 0.000) 18.154 15.634 ( 0.527 10.724 0.000) 10.737 15.708 ( -12.770 -1.290 0.000) 12.835 17.325 ( -0.298 -6.983 0.000) 6.989 17.336 ( -1.248 -5.379 0.000) 5.522 17.473 ( 0.663 -13.603 0.000) 13.619 17.481 ( 0.034 -9.610 0.000) 9.610 17.868 ( 7.876 -21.948 0.000) 23.318 18.096 ( -17.207 -16.349 0.000) 23.735 20.247 ( 8.610 -7.736 0.000) 11.574 20.333 ( -0.580 -8.098 0.000) 8.119 21.172 ( -4.212 28.926 0.000) 29.231 21.209 ( -7.542 29.753 0.000) 30.694 21.510 ( 1.119 24.512 0.000) 24.538 21.563 ( -4.585 22.032 0.000) 22.504 24.078 ( 14.125 -7.714 0.000) 16.094 24.335 ( -11.636 -11.075 0.000) 16.064 25.206 ( 11.467 -28.489 0.000) 30.710 25.290 ( 1.309 -24.270 0.000) 24.305 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 28.757 0.000) 28.757 1.957 ( 0.000 26.219 0.000) 26.219 2.524 ( 0.000 12.603 0.000) 12.603 2.648 ( 0.000 9.357 0.000) 9.357 2.704 ( 0.000 5.339 0.000) 5.339 2.823 ( 0.000 18.608 0.000) 18.608 2.870 ( 0.000 7.715 0.000) 7.715 2.881 ( 0.000 7.662 0.000) 7.662 2.955 ( 0.000 -2.601 0.000) 2.601 3.025 ( 0.000 29.969 0.000) 29.969 3.215 ( 0.000 12.921 0.000) 12.921 3.295 ( 0.000 8.075 0.000) 8.075 3.359 ( 0.000 14.109 0.000) 14.109 3.443 ( 0.000 3.229 0.000) 3.229 3.483 ( 0.000 6.819 0.000) 6.819 3.813 ( 0.000 -4.978 0.000) 4.978 3.844 ( 0.000 10.039 0.000) 10.039 3.957 ( 0.000 11.262 0.000) 11.262 4.004 ( 0.000 19.789 0.000) 19.789 4.087 ( 0.000 4.908 0.000) 4.908 4.599 ( 0.000 11.232 0.000) 11.232 4.814 ( 0.000 12.222 0.000) 12.222 4.987 ( 0.000 4.843 0.000) 4.843 5.028 ( 0.000 -2.354 0.000) 2.354 5.808 ( 0.000 -5.963 0.000) 5.963 5.821 ( 0.000 0.622 0.000) 0.622 5.857 ( 0.000 1.853 0.000) 1.853 5.914 ( 0.000 7.107 0.000) 7.107 6.682 ( 0.000 16.209 0.000) 16.209 6.753 ( 0.000 28.923 0.000) 28.923 6.806 ( 0.000 20.906 0.000) 20.906 6.850 ( 0.000 12.739 0.000) 12.739 6.962 ( 0.000 8.176 0.000) 8.176 7.130 ( 0.000 5.883 0.000) 5.883 7.301 ( 0.000 6.453 0.000) 6.453 7.599 ( 0.000 0.383 0.000) 0.383 7.807 ( 0.000 13.656 0.000) 13.656 7.892 ( 0.000 12.261 0.000) 12.261 7.912 ( 0.000 -9.541 0.000) 9.541 7.990 ( 0.000 17.546 0.000) 17.546 8.192 ( 0.000 9.814 0.000) 9.814 8.487 ( 0.000 8.586 0.000) 8.586 8.597 ( 0.000 2.118 0.000) 2.118 8.988 ( 0.000 1.436 0.000) 1.436 9.226 ( 0.000 16.310 0.000) 16.310 9.390 ( 0.000 18.135 0.000) 18.135 9.479 ( 0.000 13.223 0.000) 13.223 9.484 ( 0.000 13.033 0.000) 13.033 9.625 ( 0.000 11.350 0.000) 11.350 9.701 ( 0.000 11.117 0.000) 11.117 9.939 ( 0.000 6.963 0.000) 6.963 10.098 ( 0.000 1.055 0.000) 1.055 10.325 ( 0.000 1.743 0.000) 1.743 10.631 ( 0.000 23.029 0.000) 23.029 10.913 ( 0.000 6.468 0.000) 6.468 10.921 ( 0.000 -2.558 0.000) 2.558 10.990 ( 0.000 5.990 0.000) 5.990 11.154 ( 0.000 -11.564 0.000) 11.564 11.192 ( 0.000 -10.187 0.000) 10.187 11.479 ( 0.000 -20.129 0.000) 20.129 11.598 ( 0.000 -38.997 0.000) 38.997 11.702 ( 0.000 5.005 0.000) 5.005 11.852 ( 0.000 -25.303 0.000) 25.303 11.927 ( 0.000 8.019 0.000) 8.019 12.168 ( 0.000 7.018 0.000) 7.018 12.309 ( 0.000 12.155 0.000) 12.155 12.318 ( 0.000 -6.812 0.000) 6.812 12.521 ( 0.000 9.213 0.000) 9.213 13.464 ( 0.000 -2.738 0.000) 2.738 13.550 ( 0.000 -14.384 0.000) 14.384 13.687 ( 0.000 -9.826 0.000) 9.826 13.902 ( 0.000 -2.798 0.000) 2.798 14.716 ( 0.000 8.067 0.000) 8.067 14.770 ( 0.000 4.732 0.000) 4.732 15.128 ( 0.000 -4.164 0.000) 4.164 15.355 ( 0.000 4.619 0.000) 4.619 15.673 ( 0.000 14.874 0.000) 14.874 15.840 ( 0.000 1.896 0.000) 1.896 15.867 ( 0.000 10.315 0.000) 10.315 15.948 ( 0.000 -10.761 0.000) 10.761 16.951 ( 0.000 -19.197 0.000) 19.197 17.022 ( 0.000 -15.328 0.000) 15.328 17.185 ( 0.000 -25.641 0.000) 25.641 17.651 ( 0.000 13.637 0.000) 13.637 17.661 ( 0.000 13.196 0.000) 13.196 18.737 ( 0.000 -29.850 0.000) 29.850 19.658 ( 0.000 -0.584 0.000) 0.584 20.101 ( 0.000 -14.426 0.000) 14.426 21.812 ( 0.000 2.868 0.000) 2.868 21.820 ( 0.000 11.119 0.000) 11.119 21.932 ( 0.000 22.380 0.000) 22.380 21.975 ( 0.000 18.148 0.000) 18.148 23.889 ( 0.000 2.231 0.000) 2.231 24.139 ( 0.000 -7.859 0.000) 7.859 24.306 ( 0.000 -14.746 0.000) 14.746 24.739 ( 0.000 -22.183 0.000) 22.183 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 1.361 25.944 0.000) 25.980 2.012 ( 5.516 24.782 0.000) 25.389 2.501 ( -10.274 9.838 0.000) 14.225 2.570 ( -7.617 9.997 0.000) 12.568 2.626 ( -5.360 6.248 0.000) 8.232 2.738 ( 1.770 5.777 0.000) 6.042 2.786 ( -1.485 16.758 0.000) 16.824 2.901 ( -1.194 6.161 0.000) 6.275 3.052 ( 0.943 20.188 0.000) 20.210 3.070 ( 6.204 7.626 0.000) 9.831 3.236 ( 4.739 23.803 0.000) 24.270 3.268 ( -6.160 11.221 0.000) 12.800 3.386 ( 7.720 6.276 0.000) 9.950 3.513 ( 4.759 1.698 0.000) 5.052 3.635 ( 8.621 10.176 0.000) 13.337 3.764 ( -5.042 11.827 0.000) 12.857 3.792 ( -1.318 -1.668 0.000) 2.125 3.916 ( -4.019 8.613 0.000) 9.504 4.031 ( 1.581 17.277 0.000) 17.350 4.088 ( -0.432 3.711 0.000) 3.736 4.625 ( 2.196 10.463 0.000) 10.691 4.782 ( -3.387 13.058 0.000) 13.490 4.984 ( 0.531 5.498 0.000) 5.524 5.039 ( 0.834 -1.094 0.000) 1.376 5.796 ( -0.139 -3.563 0.000) 3.566 5.844 ( 1.229 3.198 0.000) 3.426 5.890 ( 3.549 -2.866 0.000) 4.562 5.956 ( 3.047 2.040 0.000) 3.667 6.677 ( -2.503 21.778 0.000) 21.922 6.720 ( -5.402 18.319 0.000) 19.099 6.777 ( 4.492 24.844 0.000) 25.246 6.904 ( 2.678 17.883 0.000) 18.083 7.027 ( 5.480 9.638 0.000) 11.087 7.151 ( 1.999 6.205 0.000) 6.519 7.299 ( 0.414 3.698 0.000) 3.722 7.640 ( 2.531 6.475 0.000) 6.952 7.729 ( -5.099 4.884 0.000) 7.060 7.903 ( 1.241 -0.035 0.000) 1.242 7.982 ( 5.060 5.435 0.000) 7.426 7.999 ( -0.137 13.854 0.000) 13.855 8.152 ( -2.136 12.192 0.000) 12.378 8.507 ( 0.890 13.074 0.000) 13.104 8.657 ( 5.203 0.059 0.000) 5.203 8.947 ( -3.409 0.925 0.000) 3.532 9.214 ( -3.012 17.895 0.000) 18.146 9.358 ( -2.332 14.648 0.000) 14.833 9.405 ( -1.254 8.069 0.000) 8.166 9.468 ( -2.585 13.143 0.000) 13.395 9.718 ( 5.334 13.093 0.000) 14.138 9.801 ( 9.642 13.108 0.000) 16.272 9.973 ( 2.406 9.079 0.000) 9.393 10.099 ( 0.431 3.858 0.000) 3.882 10.317 ( 0.491 1.713 0.000) 1.782 10.603 ( -4.411 16.379 0.000) 16.963 10.750 ( -13.204 4.732 0.000) 14.026 10.874 ( -2.103 2.491 0.000) 3.260 11.007 ( -0.599 6.600 0.000) 6.627 11.128 ( -1.023 -13.788 0.000) 13.826 11.212 ( -0.427 -7.143 0.000) 7.156 11.425 ( -3.872 -23.918 0.000) 24.229 11.632 ( 1.983 -30.774 0.000) 30.838 11.687 ( -1.194 1.043 0.000) 1.585 11.839 ( -1.336 -24.225 0.000) 24.262 11.874 ( -4.834 6.588 0.000) 8.171 12.215 ( 2.307 9.043 0.000) 9.333 12.268 ( -3.686 -4.607 0.000) 5.900 12.303 ( 1.588 5.538 0.000) 5.761 12.544 ( 0.705 7.453 0.000) 7.486 13.441 ( 0.808 -1.755 0.000) 1.932 13.593 ( 3.722 -14.058 0.000) 14.543 13.757 ( 4.165 -9.584 0.000) 10.449 13.884 ( -2.159 -1.330 0.000) 2.535 14.745 ( 3.022 7.689 0.000) 8.262 14.896 ( 12.354 3.852 0.000) 12.941 15.077 ( -5.077 -2.016 0.000) 5.463 15.379 ( 2.476 5.901 0.000) 6.399 15.632 ( -4.983 15.027 0.000) 15.831 15.808 ( -2.661 0.936 0.000) 2.820 15.861 ( -0.621 10.057 0.000) 10.076 15.880 ( -6.331 -5.940 0.000) 8.682 16.942 ( -0.605 -18.778 0.000) 18.788 17.004 ( -1.651 -15.020 0.000) 15.110 17.236 ( 5.044 -24.757 0.000) 25.266 17.657 ( -0.516 12.287 0.000) 12.298 17.657 ( 0.648 13.413 0.000) 13.429 18.305 ( -32.397 -19.208 0.000) 37.663 19.859 ( 12.664 -8.662 0.000) 15.343 20.104 ( 0.153 -14.691 0.000) 14.691 21.699 ( -5.104 13.129 0.000) 14.087 21.868 ( -6.588 21.265 0.000) 22.262 21.896 ( 2.186 7.662 0.000) 7.968 21.957 ( -1.013 19.487 0.000) 19.514 23.842 ( 1.262 1.085 0.000) 1.664 24.251 ( -5.270 -13.730 0.000) 14.707 24.407 ( 18.502 -15.683 0.000) 24.255 24.780 ( 3.165 -22.770 0.000) 22.989 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 8.778 18.052 0.000) 20.073 2.164 ( 9.065 20.807 0.000) 22.696 2.178 ( -15.826 9.589 0.000) 18.505 2.375 ( -11.293 15.341 0.000) 19.049 2.667 ( 3.825 10.964 0.000) 11.612 2.725 ( -1.977 11.310 0.000) 11.482 2.821 ( 3.005 7.303 0.000) 7.897 2.870 ( -1.995 6.621 0.000) 6.915 3.058 ( 1.178 15.498 0.000) 15.543 3.119 ( -4.026 12.750 0.000) 13.371 3.228 ( 5.772 10.530 0.000) 12.008 3.328 ( -0.412 17.301 0.000) 17.306 3.537 ( 2.775 3.213 0.000) 4.246 3.583 ( 10.519 12.182 0.000) 16.095 3.636 ( -5.665 5.813 0.000) 8.117 3.774 ( 4.968 8.761 0.000) 10.072 3.793 ( -8.978 9.558 0.000) 13.113 3.830 ( 1.245 8.855 0.000) 8.942 4.052 ( 0.589 12.960 0.000) 12.973 4.065 ( -1.263 4.725 0.000) 4.891 4.664 ( 1.750 9.943 0.000) 10.096 4.708 ( -3.244 12.354 0.000) 12.773 5.016 ( 2.134 4.397 0.000) 4.887 5.045 ( -0.569 1.714 0.000) 1.806 5.816 ( 1.855 -2.779 0.000) 3.341 5.848 ( -0.924 -0.412 0.000) 1.012 5.967 ( 3.377 -3.540 0.000) 4.892 5.997 ( 0.541 -2.342 0.000) 2.403 6.621 ( -1.820 21.146 0.000) 21.224 6.633 ( -2.991 19.412 0.000) 19.641 6.883 ( 4.649 31.397 0.000) 31.739 6.931 ( -0.307 27.940 0.000) 27.942 7.133 ( 4.539 8.426 0.000) 9.571 7.180 ( -0.103 7.015 0.000) 7.016 7.356 ( 6.415 -2.054 0.000) 6.736 7.528 ( -9.736 5.264 0.000) 11.068 7.788 ( 6.495 -5.055 0.000) 8.230 7.893 ( -3.292 -6.244 0.000) 7.059 7.991 ( 0.066 12.028 0.000) 12.028 8.009 ( -1.437 14.440 0.000) 14.511 8.238 ( 10.419 16.767 0.000) 19.741 8.445 ( -8.354 19.556 0.000) 21.266 8.767 ( 5.606 -1.794 0.000) 5.886 8.867 ( -4.726 -1.140 0.000) 4.862 9.203 ( 4.074 11.867 0.000) 12.546 9.310 ( -3.996 10.544 0.000) 11.276 9.400 ( -2.196 11.994 0.000) 12.193 9.406 ( -0.726 10.165 0.000) 10.190 9.821 ( 6.089 13.626 0.000) 14.924 9.934 ( -2.969 14.781 0.000) 15.076 10.033 ( 7.635 15.982 0.000) 17.712 10.113 ( 0.009 11.242 0.000) 11.242 10.416 ( 8.109 -4.678 0.000) 9.361 10.476 ( -5.954 6.663 0.000) 8.935 10.529 ( -4.459 7.533 0.000) 8.754 10.732 ( -13.719 2.998 0.000) 14.042 11.043 ( 5.389 -3.579 0.000) 6.469 11.151 ( -5.076 -6.191 0.000) 8.006 11.181 ( 6.322 -5.047 0.000) 8.090 11.329 ( -6.913 -14.227 0.000) 15.817 11.658 ( 0.756 -20.790 0.000) 20.803 11.669 ( -0.608 -8.478 0.000) 8.499 11.793 ( -1.951 -3.885 0.000) 4.347 11.803 ( -1.979 -19.053 0.000) 19.155 12.208 ( -0.940 5.283 0.000) 5.366 12.212 ( -1.597 -0.306 0.000) 1.626 12.406 ( 6.621 1.494 0.000) 6.787 12.513 ( -3.881 3.643 0.000) 5.323 13.535 ( 7.677 -1.145 0.000) 7.762 13.643 ( -0.701 -11.024 0.000) 11.046 13.799 ( 0.391 -7.589 0.000) 7.599 13.819 ( -3.212 0.090 0.000) 3.213 14.828 ( 5.406 6.288 0.000) 8.293 14.952 ( -7.015 3.059 0.000) 7.653 15.203 ( 17.229 1.306 0.000) 17.279 15.459 ( 6.234 8.592 0.000) 10.615 15.479 ( -10.383 8.637 0.000) 13.505 15.648 ( -12.377 -0.065 0.000) 12.377 15.827 ( 0.454 7.698 0.000) 7.711 15.844 ( -1.022 9.252 0.000) 9.308 16.940 ( 0.597 -17.084 0.000) 17.095 16.966 ( -1.945 -15.256 0.000) 15.379 17.384 ( 10.532 -21.997 0.000) 24.389 17.611 ( -7.259 -0.314 0.000) 7.265 17.676 ( 1.456 12.450 0.000) 12.535 17.782 ( -15.979 -5.774 0.000) 16.990 20.037 ( 5.621 -13.123 0.000) 14.277 20.097 ( -1.215 -14.785 0.000) 14.835 21.650 ( 0.567 19.191 0.000) 19.199 21.725 ( -6.689 21.592 0.000) 22.604 21.920 ( 0.835 13.432 0.000) 13.458 21.938 ( -0.999 17.823 0.000) 17.851 23.950 ( 8.273 -5.004 0.000) 9.669 24.117 ( -8.189 -10.529 0.000) 13.338 24.704 ( 10.658 -22.562 0.000) 24.953 24.812 ( -1.051 -23.707 0.000) 23.730 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 24.620 0.000) 24.620 2.408 ( 0.000 19.950 0.000) 19.950 2.796 ( 0.000 14.364 0.000) 14.364 2.816 ( 0.000 7.918 0.000) 7.918 2.835 ( 0.000 7.759 0.000) 7.759 2.872 ( 0.000 -3.448 0.000) 3.448 2.995 ( 0.000 3.024 0.000) 3.024 3.053 ( 0.000 8.358 0.000) 8.358 3.112 ( 0.000 11.081 0.000) 11.081 3.278 ( 0.000 8.025 0.000) 8.025 3.468 ( 0.000 9.468 0.000) 9.468 3.495 ( 0.000 1.918 0.000) 1.918 3.529 ( 0.000 -0.940 0.000) 0.940 3.564 ( 0.000 7.020 0.000) 7.020 3.769 ( 0.000 30.007 0.000) 30.007 3.769 ( 0.000 -0.752 0.000) 0.752 4.011 ( 0.000 7.148 0.000) 7.148 4.161 ( 0.000 3.736 0.000) 3.736 4.185 ( 0.000 11.420 0.000) 11.420 4.362 ( 0.000 16.395 0.000) 16.395 4.807 ( 0.000 9.853 0.000) 9.853 4.984 ( 0.000 -1.934 0.000) 1.934 5.081 ( 0.000 4.772 0.000) 4.772 5.082 ( 0.000 13.558 0.000) 13.558 5.685 ( 0.000 -4.600 0.000) 4.600 5.854 ( 0.000 2.839 0.000) 2.839 5.870 ( 0.000 -0.124 0.000) 0.124 6.020 ( 0.000 4.421 0.000) 4.421 6.841 ( 0.000 3.740 0.000) 3.740 6.981 ( 0.000 5.391 0.000) 5.391 7.030 ( 0.000 7.358 0.000) 7.358 7.081 ( 0.000 7.705 0.000) 7.705 7.175 ( 0.000 -3.341 0.000) 3.341 7.293 ( 0.000 17.078 0.000) 17.078 7.534 ( 0.000 -3.080 0.000) 3.080 7.538 ( 0.000 14.267 0.000) 14.267 7.851 ( 0.000 4.478 0.000) 4.478 8.079 ( 0.000 8.369 0.000) 8.369 8.144 ( 0.000 12.891 0.000) 12.891 8.360 ( 0.000 19.820 0.000) 19.820 8.446 ( 0.000 15.819 0.000) 15.819 8.705 ( 0.000 8.310 0.000) 8.310 8.784 ( 0.000 21.672 0.000) 21.672 9.032 ( 0.000 1.594 0.000) 1.594 9.483 ( 0.000 9.198 0.000) 9.198 9.653 ( 0.000 4.082 0.000) 4.082 9.681 ( 0.000 6.598 0.000) 6.598 9.740 ( 0.000 12.617 0.000) 12.617 9.861 ( 0.000 13.250 0.000) 13.250 10.014 ( 0.000 21.482 0.000) 21.482 10.105 ( 0.000 6.734 0.000) 6.734 10.219 ( 0.000 9.457 0.000) 9.457 10.500 ( 0.000 16.078 0.000) 16.078 10.668 ( 0.000 -17.356 0.000) 17.356 10.685 ( 0.000 -25.553 0.000) 25.553 10.745 ( 0.000 -31.783 0.000) 31.783 10.845 ( 0.000 -11.817 0.000) 11.817 11.086 ( 0.000 -13.459 0.000) 13.459 11.131 ( 0.000 23.993 0.000) 23.993 11.156 ( 0.000 4.169 0.000) 4.169 11.242 ( 0.000 -2.980 0.000) 2.980 11.722 ( 0.000 6.879 0.000) 6.879 11.871 ( 0.000 10.505 0.000) 10.505 12.094 ( 0.000 10.164 0.000) 10.164 12.237 ( 0.000 0.740 0.000) 0.740 12.294 ( 0.000 5.370 0.000) 5.370 12.624 ( 0.000 1.048 0.000) 1.048 12.634 ( 0.000 18.086 0.000) 18.086 13.220 ( 0.000 -19.037 0.000) 19.037 13.412 ( 0.000 -2.482 0.000) 2.482 13.481 ( 0.000 -10.954 0.000) 10.954 13.817 ( 0.000 -5.752 0.000) 5.752 14.794 ( 0.000 -2.589 0.000) 2.589 14.810 ( 0.000 1.277 0.000) 1.277 15.023 ( 0.000 -6.311 0.000) 6.311 15.536 ( 0.000 13.910 0.000) 13.910 15.699 ( 0.000 -14.222 0.000) 14.222 15.899 ( 0.000 8.513 0.000) 8.513 15.912 ( 0.000 5.584 0.000) 5.584 16.016 ( 0.000 5.230 0.000) 5.230 16.727 ( 0.000 -20.111 0.000) 20.111 16.732 ( 0.000 -3.760 0.000) 3.760 16.840 ( 0.000 -3.541 0.000) 3.541 17.835 ( 0.000 -1.755 0.000) 1.755 17.938 ( 0.000 15.380 0.000) 15.380 18.273 ( 0.000 -10.980 0.000) 10.980 19.571 ( 0.000 -7.621 0.000) 7.621 19.783 ( 0.000 -17.395 0.000) 17.395 21.831 ( 0.000 -0.580 0.000) 0.580 21.953 ( 0.000 2.363 0.000) 2.363 22.218 ( 0.000 6.422 0.000) 6.422 22.270 ( 0.000 11.471 0.000) 11.471 23.920 ( 0.000 0.898 0.000) 0.898 24.029 ( 0.000 -3.549 0.000) 3.549 24.042 ( 0.000 -11.714 0.000) 11.714 24.324 ( 0.000 -19.510 0.000) 19.510 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -3.042 23.096 0.000) 23.295 2.438 ( 2.987 18.705 0.000) 18.942 2.615 ( -14.934 3.247 0.000) 15.283 2.759 ( -4.651 9.329 0.000) 10.424 2.832 ( 3.061 13.207 0.000) 13.557 2.863 ( 1.722 6.884 0.000) 7.096 3.021 ( -1.197 5.570 0.000) 5.697 3.082 ( -2.635 12.969 0.000) 13.234 3.198 ( 9.204 4.610 0.000) 10.294 3.277 ( 0.204 7.886 0.000) 7.888 3.424 ( -4.393 5.530 0.000) 7.062 3.507 ( 2.783 4.409 0.000) 5.214 3.545 ( 4.543 4.101 0.000) 6.120 3.743 ( 3.177 -2.575 0.000) 4.090 3.788 ( 9.617 4.193 0.000) 10.491 3.800 ( 2.079 26.990 0.000) 27.070 3.955 ( -3.381 7.359 0.000) 8.099 4.084 ( -5.938 6.297 0.000) 8.655 4.176 ( -2.303 7.613 0.000) 7.954 4.363 ( -0.897 15.763 0.000) 15.788 4.815 ( 1.001 8.619 0.000) 8.677 5.023 ( 3.527 -0.071 0.000) 3.528 5.033 ( -3.150 10.864 0.000) 11.311 5.127 ( 2.143 9.262 0.000) 9.506 5.690 ( 0.758 -4.558 0.000) 4.621 5.842 ( -1.522 -1.424 0.000) 2.084 5.903 ( 2.964 2.557 0.000) 3.914 6.006 ( -1.147 2.672 0.000) 2.908 6.934 ( 7.856 6.617 0.000) 10.272 6.947 ( -3.941 7.774 0.000) 8.716 6.953 ( -5.155 0.919 0.000) 5.236 7.067 ( 4.927 6.057 0.000) 7.808 7.319 ( 7.685 3.996 0.000) 8.662 7.349 ( 4.802 14.604 0.000) 15.373 7.503 ( -2.520 14.746 0.000) 14.960 7.585 ( 4.444 -2.652 0.000) 5.175 7.821 ( -2.382 0.190 0.000) 2.389 7.964 ( -11.065 9.050 0.000) 14.295 8.260 ( 9.057 15.447 0.000) 17.906 8.334 ( -1.734 20.335 0.000) 20.409 8.449 ( 1.784 17.766 0.000) 17.855 8.725 ( 2.033 6.497 0.000) 6.808 8.858 ( 5.160 20.578 0.000) 21.215 8.992 ( -3.505 2.591 0.000) 4.358 9.547 ( -8.885 10.510 0.000) 13.762 9.561 ( 5.572 12.107 0.000) 13.327 9.664 ( -3.627 12.989 0.000) 13.486 9.703 ( -0.526 9.731 0.000) 9.745 9.861 ( -0.455 4.202 0.000) 4.226 10.021 ( 4.491 7.077 0.000) 8.381 10.181 ( 4.563 12.008 0.000) 12.846 10.285 ( 5.516 9.969 0.000) 11.394 10.493 ( -0.883 12.874 0.000) 12.905 10.640 ( -2.472 -15.245 0.000) 15.444 10.701 ( 0.897 -23.404 0.000) 23.422 10.706 ( -4.382 -14.939 0.000) 15.568 10.823 ( -2.856 -18.349 0.000) 18.570 10.981 ( -3.571 -13.629 0.000) 14.089 11.015 ( -9.587 7.832 0.000) 12.379 11.130 ( -3.952 13.989 0.000) 14.536 11.344 ( 6.142 -4.328 0.000) 7.514 11.707 ( -2.211 8.472 0.000) 8.756 11.829 ( -3.369 9.392 0.000) 9.978 12.034 ( -5.458 9.758 0.000) 11.180 12.224 ( 0.133 1.089 0.000) 1.098 12.345 ( 4.667 4.833 0.000) 6.719 12.545 ( -7.721 14.973 0.000) 16.846 12.621 ( -1.463 0.607 0.000) 1.584 13.284 ( 5.253 -16.818 0.000) 17.620 13.377 ( 0.112 -5.613 0.000) 5.614 13.582 ( 6.426 -7.321 0.000) 9.741 13.819 ( -0.135 -5.004 0.000) 5.005 14.827 ( 1.701 0.607 0.000) 1.806 14.906 ( 10.714 -3.240 0.000) 11.193 14.998 ( -2.385 -5.424 0.000) 5.925 15.579 ( 4.324 14.434 0.000) 15.067 15.632 ( -6.915 -12.836 0.000) 14.581 15.885 ( -2.119 9.790 0.000) 10.016 15.913 ( 0.674 5.176 0.000) 5.220 16.004 ( -1.226 4.940 0.000) 5.090 16.720 ( 0.926 -6.632 0.000) 6.697 16.799 ( 5.450 -16.577 0.000) 17.449 16.830 ( -1.056 -3.261 0.000) 3.428 17.713 ( -14.993 -13.124 0.000) 19.926 17.944 ( 0.625 15.428 0.000) 15.440 18.105 ( -10.287 6.207 0.000) 12.014 19.660 ( 6.506 -11.614 0.000) 13.312 19.785 ( 0.177 -17.282 0.000) 17.283 21.840 ( 1.271 2.111 0.000) 2.464 21.995 ( 3.928 2.316 0.000) 4.560 22.152 ( -6.105 7.383 0.000) 9.580 22.249 ( -2.315 9.970 0.000) 10.235 23.870 ( -1.401 1.359 0.000) 1.952 24.009 ( -2.898 -10.492 0.000) 10.885 24.171 ( 9.792 -8.821 0.000) 13.179 24.361 ( 2.910 -19.352 0.000) 19.570 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.634 18.048 0.000) 18.059 2.370 ( -8.678 10.082 0.000) 13.302 2.529 ( 5.425 16.539 0.000) 17.406 2.648 ( -6.376 12.653 0.000) 14.168 2.899 ( 1.863 7.153 0.000) 7.392 2.899 ( 2.622 11.174 0.000) 11.477 2.994 ( -0.724 6.385 0.000) 6.426 3.025 ( -2.980 12.290 0.000) 12.646 3.288 ( 0.966 8.539 0.000) 8.594 3.307 ( 0.234 6.425 0.000) 6.429 3.411 ( 5.261 7.587 0.000) 9.233 3.528 ( -3.469 0.998 0.000) 3.610 3.614 ( 3.664 7.917 0.000) 8.724 3.699 ( -4.117 1.792 0.000) 4.490 3.839 ( 4.188 12.253 0.000) 12.949 3.956 ( -6.732 6.886 0.000) 9.630 3.977 ( 4.607 11.450 0.000) 12.342 4.035 ( 6.264 9.461 0.000) 11.347 4.125 ( 2.119 2.512 0.000) 3.286 4.289 ( -7.226 9.644 0.000) 12.051 4.861 ( 3.888 10.282 0.000) 10.993 4.953 ( -4.929 12.279 0.000) 13.232 5.098 ( 3.651 4.289 0.000) 5.633 5.145 ( -0.766 8.525 0.000) 8.559 5.725 ( 2.928 -4.488 0.000) 5.358 5.792 ( -3.402 -3.318 0.000) 4.752 5.957 ( 2.119 0.801 0.000) 2.266 5.985 ( -1.052 0.274 0.000) 1.087 6.862 ( -1.957 6.042 0.000) 6.351 6.873 ( -2.773 7.699 0.000) 8.183 7.179 ( 12.248 6.037 0.000) 13.655 7.187 ( 6.309 7.821 0.000) 10.048 7.359 ( -1.546 2.444 0.000) 2.892 7.420 ( 0.059 8.500 0.000) 8.500 7.530 ( 4.781 20.395 0.000) 20.948 7.659 ( -2.145 2.018 0.000) 2.945 7.716 ( -7.126 7.571 0.000) 10.397 7.763 ( -3.586 -5.208 0.000) 6.324 8.319 ( 0.361 19.841 0.000) 19.844 8.336 ( -0.517 18.143 0.000) 18.150 8.627 ( 14.656 20.288 0.000) 25.028 8.784 ( 4.050 3.861 0.000) 5.596 8.868 ( -3.817 8.945 0.000) 9.726 8.889 ( -9.604 14.737 0.000) 17.590 9.468 ( 3.589 14.946 0.000) 15.371 9.586 ( -3.642 14.046 0.000) 14.511 9.612 ( -1.326 10.931 0.000) 11.011 9.626 ( -5.985 12.322 0.000) 13.698 9.946 ( 10.347 0.194 0.000) 10.349 10.151 ( -5.633 3.582 0.000) 6.676 10.251 ( 12.533 0.672 0.000) 12.551 10.379 ( 2.810 6.846 0.000) 7.400 10.465 ( -1.208 9.017 0.000) 9.097 10.546 ( -8.265 -1.363 0.000) 8.377 10.637 ( 0.400 3.140 0.000) 3.165 10.697 ( -2.560 -14.727 0.000) 14.947 10.783 ( -0.669 -24.592 0.000) 24.601 10.822 ( -6.973 -9.702 0.000) 11.948 10.981 ( 1.948 -8.078 0.000) 8.309 11.039 ( -4.190 6.068 0.000) 7.374 11.458 ( 6.119 -0.271 0.000) 6.125 11.597 ( -7.840 6.872 0.000) 10.425 11.824 ( 2.908 8.061 0.000) 8.569 11.915 ( -6.018 9.521 0.000) 11.263 12.268 ( 4.333 5.323 0.000) 6.864 12.387 ( -7.651 10.268 0.000) 12.805 12.450 ( 5.682 2.988 0.000) 6.420 12.555 ( -4.836 1.058 0.000) 4.950 13.377 ( 3.510 -14.504 0.000) 14.923 13.402 ( 0.893 -10.747 0.000) 10.784 13.701 ( 5.754 -3.479 0.000) 6.724 13.792 ( -3.105 -3.279 0.000) 4.516 14.873 ( 3.014 -1.077 0.000) 3.201 14.939 ( -3.497 -3.311 0.000) 4.815 15.165 ( 14.729 -5.645 0.000) 15.774 15.438 ( -12.598 -9.272 0.000) 15.642 15.691 ( 6.695 14.636 0.000) 16.095 15.813 ( -5.250 12.341 0.000) 13.411 15.937 ( 1.661 4.829 0.000) 5.106 15.972 ( -1.866 4.571 0.000) 4.937 16.756 ( 2.385 -2.601 0.000) 3.529 16.800 ( -1.977 -2.558 0.000) 3.233 16.966 ( 12.568 -18.927 0.000) 22.719 17.307 ( -21.930 -17.998 0.000) 28.370 17.962 ( 1.221 15.576 0.000) 15.624 17.996 ( -2.602 15.393 0.000) 15.611 19.756 ( 2.986 -15.269 0.000) 15.558 19.785 ( -0.413 -16.766 0.000) 16.771 21.894 ( 4.554 6.006 0.000) 7.537 22.013 ( -7.300 7.773 0.000) 10.663 22.087 ( 5.156 4.167 0.000) 6.629 22.182 ( -4.355 7.252 0.000) 8.459 23.884 ( 2.427 -1.981 0.000) 3.133 23.945 ( -3.475 -6.857 0.000) 7.687 24.335 ( 6.176 -15.175 0.000) 16.383 24.396 ( -0.171 -18.422 0.000) 18.423 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 0.000 8.185 0.000) 8.185 2.770 ( 0.000 17.192 0.000) 17.192 2.832 ( 0.000 3.400 0.000) 3.400 2.952 ( 0.000 5.809 0.000) 5.809 2.974 ( 0.000 -4.739 0.000) 4.739 2.998 ( 0.000 9.248 0.000) 9.248 3.049 ( 0.000 10.660 0.000) 10.660 3.206 ( 0.000 7.167 0.000) 7.167 3.249 ( 0.000 4.017 0.000) 4.017 3.447 ( 0.000 8.222 0.000) 8.222 3.512 ( 0.000 -0.110 0.000) 0.110 3.529 ( 0.000 1.737 0.000) 1.737 3.650 ( 0.000 8.640 0.000) 8.640 3.652 ( 0.000 2.465 0.000) 2.465 3.719 ( 0.000 -4.770 0.000) 4.770 4.047 ( 0.000 0.465 0.000) 0.465 4.253 ( 0.000 5.640 0.000) 5.640 4.317 ( 0.000 21.685 0.000) 21.685 4.375 ( 0.000 7.504 0.000) 7.504 4.635 ( 0.000 11.591 0.000) 11.591 4.963 ( 0.000 -0.034 0.000) 0.034 4.968 ( 0.000 6.119 0.000) 6.119 5.173 ( 0.000 4.676 0.000) 4.676 5.272 ( 0.000 5.002 0.000) 5.002 5.698 ( 0.000 6.456 0.000) 6.456 5.872 ( 0.000 0.732 0.000) 0.732 5.921 ( 0.000 3.294 0.000) 3.294 6.089 ( 0.000 2.391 0.000) 2.391 6.898 ( 0.000 3.118 0.000) 3.118 7.101 ( 0.000 6.976 0.000) 6.976 7.120 ( 0.000 1.072 0.000) 1.072 7.173 ( 0.000 7.395 0.000) 7.395 7.180 ( 0.000 3.438 0.000) 3.438 7.532 ( 0.000 3.664 0.000) 3.664 7.568 ( 0.000 11.715 0.000) 11.715 7.744 ( 0.000 6.121 0.000) 6.121 8.011 ( 0.000 10.087 0.000) 10.087 8.142 ( 0.000 -0.397 0.000) 0.397 8.377 ( 0.000 10.618 0.000) 10.618 8.715 ( 0.000 12.935 0.000) 12.935 8.780 ( 0.000 17.526 0.000) 17.526 8.889 ( 0.000 9.436 0.000) 9.436 9.027 ( 0.000 -0.152 0.000) 0.152 9.222 ( 0.000 19.941 0.000) 19.941 9.598 ( 0.000 4.036 0.000) 4.036 9.686 ( 0.000 0.115 0.000) 0.115 9.687 ( 0.000 -23.895 0.000) 23.895 9.780 ( 0.000 4.372 0.000) 4.372 9.951 ( 0.000 -27.681 0.000) 27.681 10.097 ( 0.000 5.056 0.000) 5.056 10.110 ( 0.000 -0.222 0.000) 0.222 10.174 ( 0.000 -0.093 0.000) 0.093 10.400 ( 0.000 -3.900 0.000) 3.900 10.602 ( 0.000 -6.726 0.000) 6.726 10.623 ( 0.000 12.115 0.000) 12.115 10.716 ( 0.000 15.708 0.000) 15.708 10.763 ( 0.000 3.822 0.000) 3.822 10.868 ( 0.000 -3.045 0.000) 3.045 11.175 ( 0.000 -2.557 0.000) 2.557 11.361 ( 0.000 15.282 0.000) 15.282 11.542 ( 0.000 10.775 0.000) 10.775 11.937 ( 0.000 18.009 0.000) 18.009 11.989 ( 0.000 3.034 0.000) 3.034 12.325 ( 0.000 12.983 0.000) 12.983 12.345 ( 0.000 -1.523 0.000) 1.523 12.435 ( 0.000 16.142 0.000) 16.142 12.572 ( 0.000 -5.567 0.000) 5.567 12.845 ( 0.000 -17.330 0.000) 17.330 12.940 ( 0.000 12.377 0.000) 12.377 13.280 ( 0.000 -9.002 0.000) 9.002 13.363 ( 0.000 -2.944 0.000) 2.944 13.683 ( 0.000 -7.913 0.000) 7.913 14.693 ( 0.000 -6.434 0.000) 6.434 14.770 ( 0.000 -4.926 0.000) 4.926 14.906 ( 0.000 -4.804 0.000) 4.804 15.413 ( 0.000 -14.416 0.000) 14.416 15.866 ( 0.000 18.629 0.000) 18.629 16.039 ( 0.000 6.603 0.000) 6.603 16.049 ( 0.000 7.937 0.000) 7.937 16.104 ( 0.000 4.417 0.000) 4.417 16.437 ( 0.000 -9.210 0.000) 9.210 16.732 ( 0.000 1.431 0.000) 1.431 16.843 ( 0.000 2.549 0.000) 2.549 17.544 ( 0.000 -19.425 0.000) 19.425 18.243 ( 0.000 15.767 0.000) 15.767 18.368 ( 0.000 12.281 0.000) 12.281 19.381 ( 0.000 -11.394 0.000) 11.394 19.445 ( 0.000 -16.864 0.000) 16.864 21.805 ( 0.000 -1.630 0.000) 1.630 21.934 ( 0.000 -3.370 0.000) 3.370 22.245 ( 0.000 -2.414 0.000) 2.414 22.370 ( 0.000 -0.787 0.000) 0.787 23.861 ( 0.000 -6.852 0.000) 6.852 23.925 ( 0.000 -0.268 0.000) 0.268 23.984 ( 0.000 -1.654 0.000) 1.654 24.006 ( 0.000 -12.687 0.000) 12.687 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -6.401 2.922 0.000) 7.036 2.718 ( -4.853 17.449 0.000) 18.112 2.781 ( 0.287 13.810 0.000) 13.813 2.931 ( -2.254 8.211 0.000) 8.515 2.994 ( 0.111 6.551 0.000) 6.552 3.063 ( 0.832 3.412 0.000) 3.512 3.076 ( 3.538 4.665 0.000) 5.855 3.257 ( 6.300 3.048 0.000) 6.999 3.262 ( 0.626 5.492 0.000) 5.527 3.423 ( -1.845 7.107 0.000) 7.343 3.515 ( 0.104 -0.896 0.000) 0.902 3.518 ( -0.858 4.135 0.000) 4.223 3.686 ( 3.383 7.292 0.000) 8.039 3.693 ( 2.123 -2.781 0.000) 3.499 3.791 ( 8.559 -2.456 0.000) 8.905 4.034 ( -1.694 0.444 0.000) 1.751 4.205 ( -4.035 6.931 0.000) 8.020 4.240 ( -5.051 18.008 0.000) 18.703 4.338 ( -3.513 7.181 0.000) 7.994 4.616 ( -5.584 9.300 0.000) 10.848 4.951 ( 4.206 5.971 0.000) 7.303 5.071 ( 6.487 5.147 0.000) 8.281 5.193 ( 1.029 6.492 0.000) 6.573 5.293 ( 1.963 5.744 0.000) 6.070 5.687 ( -0.842 4.930 0.000) 5.002 5.840 ( -3.001 1.162 0.000) 3.218 5.938 ( 1.134 0.730 0.000) 1.348 6.052 ( -3.347 1.681 0.000) 3.745 6.945 ( 2.506 2.742 0.000) 3.715 7.077 ( 3.201 6.331 0.000) 7.094 7.094 ( -3.345 7.712 0.000) 8.407 7.186 ( 4.316 5.889 0.000) 7.301 7.337 ( 9.446 -0.062 0.000) 9.446 7.523 ( 1.777 5.521 0.000) 5.800 7.642 ( 2.964 8.120 0.000) 8.644 7.720 ( -1.644 7.265 0.000) 7.449 7.912 ( -6.910 7.227 0.000) 9.999 8.069 ( -6.473 2.357 0.000) 6.888 8.541 ( 12.132 12.708 0.000) 17.569 8.712 ( -0.486 14.385 0.000) 14.393 8.806 ( 2.649 17.131 0.000) 17.335 8.885 ( 0.641 9.467 0.000) 9.489 8.981 ( -4.230 -0.433 0.000) 4.252 9.259 ( 2.519 16.725 0.000) 16.914 9.666 ( 5.613 3.855 0.000) 6.809 9.688 ( 0.690 -19.615 0.000) 19.627 9.745 ( -1.008 5.209 0.000) 5.305 9.795 ( 8.830 0.674 0.000) 8.855 9.952 ( 0.417 -26.143 0.000) 26.146 10.004 ( -6.476 0.683 0.000) 6.512 10.037 ( -6.876 9.164 0.000) 11.457 10.216 ( 1.885 -5.150 0.000) 5.484 10.381 ( -0.353 -9.873 0.000) 9.879 10.435 ( -11.854 -0.024 0.000) 11.854 10.673 ( 3.889 11.024 0.000) 11.690 10.696 ( -6.654 -8.063 0.000) 10.455 10.797 ( 2.567 4.518 0.000) 5.196 10.938 ( 8.142 16.055 0.000) 18.002 11.057 ( -11.707 -1.807 0.000) 11.846 11.420 ( 5.821 13.281 0.000) 14.501 11.482 ( -6.210 13.401 0.000) 14.770 11.885 ( -1.183 8.195 0.000) 8.280 12.025 ( -2.249 12.460 0.000) 12.662 12.220 ( -6.573 6.404 0.000) 9.177 12.338 ( -3.331 7.641 0.000) 8.336 12.428 ( 4.427 4.687 0.000) 6.447 12.607 ( 0.476 0.422 0.000) 0.636 12.713 ( -9.124 -2.139 0.000) 9.371 13.044 ( 6.358 -2.372 0.000) 6.786 13.238 ( -1.859 -7.007 0.000) 7.249 13.473 ( 8.014 -4.865 0.000) 9.375 13.697 ( 0.934 -7.543 0.000) 7.601 14.777 ( 2.854 -5.598 0.000) 6.283 14.794 ( 7.457 -6.465 0.000) 9.870 14.892 ( -1.428 -4.656 0.000) 4.870 15.364 ( -5.074 -13.783 0.000) 14.687 15.906 ( 3.714 17.683 0.000) 18.069 16.021 ( -0.776 6.678 0.000) 6.723 16.068 ( 0.792 8.300 0.000) 8.338 16.090 ( -1.246 4.593 0.000) 4.759 16.490 ( 5.744 -9.102 0.000) 10.763 16.744 ( 1.257 1.450 0.000) 1.919 16.834 ( -0.899 2.409 0.000) 2.571 17.379 ( -15.705 -16.813 0.000) 23.007 18.250 ( 0.689 15.768 0.000) 15.783 18.340 ( -2.201 14.070 0.000) 14.241 19.415 ( 2.586 -13.309 0.000) 13.558 19.450 ( 0.424 -16.779 0.000) 16.785 21.836 ( 3.194 -1.407 0.000) 3.490 21.981 ( 4.513 -3.277 0.000) 5.577 22.191 ( -5.258 -1.944 0.000) 5.606 22.330 ( -3.939 -1.266 0.000) 4.137 23.851 ( -0.585 -5.804 0.000) 5.834 23.888 ( -2.013 0.522 0.000) 2.080 24.043 ( 3.959 -4.880 0.000) 6.284 24.048 ( 3.339 -12.617 0.000) 13.052 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -0.583 10.095 0.000) 10.112 2.615 ( -4.781 15.766 0.000) 16.475 2.815 ( 2.616 12.957 0.000) 13.219 2.874 ( -3.266 10.711 0.000) 11.197 3.009 ( 1.389 4.401 0.000) 4.615 3.044 ( -1.935 3.088 0.000) 3.644 3.151 ( 4.551 8.744 0.000) 9.857 3.237 ( -3.493 8.642 0.000) 9.321 3.378 ( 4.177 1.145 0.000) 4.331 3.405 ( 0.092 3.680 0.000) 3.681 3.501 ( -0.594 1.393 0.000) 1.514 3.508 ( -0.860 -1.895 0.000) 2.081 3.738 ( 2.507 2.318 0.000) 3.414 3.752 ( 2.079 5.506 0.000) 5.886 3.961 ( 4.019 -5.045 0.000) 6.450 3.983 ( -2.180 1.872 0.000) 2.874 4.182 ( 5.866 8.043 0.000) 9.955 4.199 ( 0.976 10.676 0.000) 10.721 4.258 ( -3.914 7.874 0.000) 8.793 4.415 ( -13.292 4.302 0.000) 13.971 5.077 ( 6.726 11.639 0.000) 13.442 5.176 ( -3.105 10.293 0.000) 10.751 5.212 ( 7.393 6.778 0.000) 10.030 5.312 ( -1.690 7.544 0.000) 7.731 5.689 ( 1.878 1.270 0.000) 2.268 5.762 ( -4.713 0.275 0.000) 4.721 5.956 ( 0.909 -1.157 0.000) 1.472 5.987 ( -2.596 -0.271 0.000) 2.610 6.963 ( 1.158 6.365 0.000) 6.469 7.012 ( -3.868 7.581 0.000) 8.511 7.274 ( 13.239 2.754 0.000) 13.522 7.308 ( 6.656 3.025 0.000) 7.312 7.433 ( -0.582 4.387 0.000) 4.425 7.539 ( -6.106 7.980 0.000) 10.048 7.642 ( 1.716 1.917 0.000) 2.573 7.712 ( -1.651 4.448 0.000) 4.744 7.830 ( 1.874 7.586 0.000) 7.814 7.941 ( -6.368 8.092 0.000) 10.297 8.696 ( 2.795 18.124 0.000) 18.338 8.705 ( 0.131 16.777 0.000) 16.777 8.830 ( 0.812 2.979 0.000) 3.087 8.888 ( -4.649 0.258 0.000) 4.656 9.031 ( 12.968 15.979 0.000) 20.579 9.239 ( -6.226 12.873 0.000) 14.299 9.720 ( 3.637 7.792 0.000) 8.599 9.723 ( 3.627 -6.817 0.000) 7.722 9.819 ( -5.513 3.185 0.000) 6.367 9.845 ( -5.101 11.139 0.000) 12.251 9.893 ( 5.891 -7.977 0.000) 9.916 9.990 ( 4.615 -17.247 0.000) 17.854 9.991 ( 0.270 -7.035 0.000) 7.040 10.186 ( -13.225 -2.654 0.000) 13.489 10.313 ( 10.315 -6.984 0.000) 12.457 10.400 ( 1.526 -12.064 0.000) 12.160 10.570 ( -3.667 -8.634 0.000) 9.380 10.702 ( -8.508 0.476 0.000) 8.522 10.800 ( -5.462 6.212 0.000) 8.272 10.812 ( -0.797 7.046 0.000) 7.091 11.126 ( 10.232 17.280 0.000) 20.082 11.321 ( -9.610 15.762 0.000) 18.460 11.579 ( 10.395 12.513 0.000) 16.268 11.803 ( -10.937 12.262 0.000) 16.431 11.977 ( 3.346 7.096 0.000) 7.845 12.087 ( -6.753 6.282 0.000) 9.223 12.385 ( 6.141 5.243 0.000) 8.075 12.509 ( 3.460 4.324 0.000) 5.538 12.535 ( -8.291 2.669 0.000) 8.710 12.579 ( -2.871 2.541 0.000) 3.834 13.150 ( 4.288 -6.486 0.000) 7.775 13.208 ( -1.818 -7.252 0.000) 7.476 13.618 ( 6.107 -5.515 0.000) 8.229 13.695 ( -1.701 -6.625 0.000) 6.840 14.812 ( 2.034 -4.472 0.000) 4.913 14.855 ( -2.213 -4.414 0.000) 4.938 15.006 ( 11.843 -9.466 0.000) 15.161 15.219 ( -9.562 -11.966 0.000) 15.318 15.982 ( 3.265 13.563 0.000) 13.950 16.012 ( -0.325 7.453 0.000) 7.460 16.067 ( -0.711 6.134 0.000) 6.175 16.070 ( -0.499 9.157 0.000) 9.171 16.676 ( 13.667 -9.067 0.000) 16.401 16.776 ( 1.814 1.571 0.000) 2.400 16.810 ( -1.593 2.068 0.000) 2.611 17.012 ( -19.845 -11.583 0.000) 22.979 18.269 ( 1.288 15.740 0.000) 15.792 18.300 ( -1.848 15.453 0.000) 15.563 19.453 ( 1.058 -15.551 0.000) 15.587 19.458 ( 0.304 -16.468 0.000) 16.470 21.928 ( 6.118 -1.021 0.000) 6.203 22.062 ( -7.302 -1.177 0.000) 7.396 22.094 ( 6.741 -2.965 0.000) 7.365 22.226 ( -6.436 -2.235 0.000) 6.813 23.848 ( 0.276 -3.295 0.000) 3.306 23.860 ( -0.961 -0.711 0.000) 1.196 24.103 ( 1.747 -11.753 0.000) 11.883 24.103 ( 1.769 -9.079 0.000) 9.250 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.000 -0.744 0.000) 0.744 2.851 ( 0.000 -6.648 0.000) 6.648 2.987 ( 0.000 5.870 0.000) 5.870 3.026 ( 0.000 10.438 0.000) 10.438 3.035 ( 0.000 2.590 0.000) 2.590 3.190 ( 0.000 3.480 0.000) 3.480 3.210 ( 0.000 10.802 0.000) 10.802 3.304 ( 0.000 2.086 0.000) 2.086 3.333 ( 0.000 6.034 0.000) 6.034 3.504 ( 0.000 0.077 0.000) 0.077 3.560 ( 0.000 2.861 0.000) 2.861 3.579 ( 0.000 1.194 0.000) 1.194 3.599 ( 0.000 -5.418 0.000) 5.418 3.670 ( 0.000 -0.516 0.000) 0.516 3.790 ( 0.000 5.628 0.000) 5.628 3.990 ( 0.000 -5.186 0.000) 5.186 4.369 ( 0.000 5.756 0.000) 5.756 4.468 ( 0.000 2.037 0.000) 2.037 4.666 ( 0.000 13.955 0.000) 13.955 4.815 ( 0.000 6.543 0.000) 6.543 4.978 ( 0.000 1.068 0.000) 1.068 5.028 ( 0.000 -0.123 0.000) 0.123 5.259 ( 0.000 3.876 0.000) 3.876 5.318 ( 0.000 0.822 0.000) 0.822 5.873 ( 0.000 9.526 0.000) 9.526 5.899 ( 0.000 1.844 0.000) 1.844 5.954 ( 0.000 -0.017 0.000) 0.017 6.101 ( 0.000 -1.386 0.000) 1.386 7.019 ( 0.000 9.133 0.000) 9.133 7.218 ( 0.000 0.150 0.000) 0.150 7.236 ( 0.000 10.402 0.000) 10.402 7.240 ( 0.000 6.608 0.000) 6.608 7.298 ( 0.000 4.637 0.000) 4.637 7.692 ( 0.000 12.145 0.000) 12.145 7.756 ( 0.000 -5.732 0.000) 5.732 7.760 ( 0.000 7.973 0.000) 7.973 8.103 ( 0.000 -2.431 0.000) 2.431 8.211 ( 0.000 10.016 0.000) 10.016 8.510 ( 0.000 0.682 0.000) 0.682 8.610 ( 0.000 -19.754 0.000) 19.754 9.024 ( 0.000 3.503 0.000) 3.503 9.054 ( 0.000 2.881 0.000) 2.881 9.221 ( 0.000 15.735 0.000) 15.735 9.266 ( 0.000 -3.107 0.000) 3.107 9.440 ( 0.000 2.026 0.000) 2.026 9.558 ( 0.000 -9.210 0.000) 9.210 9.658 ( 0.000 -4.242 0.000) 4.242 9.728 ( 0.000 9.361 0.000) 9.361 9.870 ( 0.000 3.244 0.000) 3.244 9.926 ( 0.000 -14.511 0.000) 14.511 10.115 ( 0.000 -2.638 0.000) 2.638 10.177 ( 0.000 2.933 0.000) 2.933 10.545 ( 0.000 -2.019 0.000) 2.019 10.586 ( 0.000 -9.822 0.000) 9.822 10.642 ( 0.000 19.974 0.000) 19.974 10.811 ( 0.000 6.584 0.000) 6.584 10.827 ( 0.000 7.226 0.000) 7.226 11.083 ( 0.000 -5.479 0.000) 5.479 11.134 ( 0.000 7.546 0.000) 7.546 11.483 ( 0.000 -13.069 0.000) 13.069 11.703 ( 0.000 16.787 0.000) 16.787 12.084 ( 0.000 7.291 0.000) 7.291 12.192 ( 0.000 -11.859 0.000) 11.859 12.365 ( 0.000 15.547 0.000) 15.547 12.453 ( 0.000 -1.293 0.000) 1.293 12.558 ( 0.000 9.203 0.000) 9.203 12.647 ( 0.000 -3.053 0.000) 3.053 12.692 ( 0.000 7.840 0.000) 7.840 13.122 ( 0.000 7.596 0.000) 7.596 13.158 ( 0.000 -2.753 0.000) 2.753 13.283 ( 0.000 -5.280 0.000) 5.280 13.507 ( 0.000 -10.197 0.000) 10.197 14.591 ( 0.000 -3.317 0.000) 3.317 14.652 ( 0.000 -5.948 0.000) 5.948 14.868 ( 0.000 1.426 0.000) 1.426 15.156 ( 0.000 -11.736 0.000) 11.736 16.168 ( 0.000 6.224 0.000) 6.224 16.185 ( 0.000 10.291 0.000) 10.291 16.188 ( 0.000 3.845 0.000) 3.845 16.193 ( 0.000 5.955 0.000) 5.955 16.380 ( 0.000 5.016 0.000) 5.016 16.722 ( 0.000 -3.430 0.000) 3.430 16.906 ( 0.000 3.695 0.000) 3.695 17.210 ( 0.000 -14.049 0.000) 14.049 18.548 ( 0.000 15.417 0.000) 15.417 18.624 ( 0.000 13.416 0.000) 13.416 19.132 ( 0.000 -15.247 0.000) 15.247 19.141 ( 0.000 -12.938 0.000) 12.938 21.781 ( 0.000 -0.491 0.000) 0.491 21.855 ( 0.000 -4.036 0.000) 4.036 22.182 ( 0.000 -2.563 0.000) 2.563 22.285 ( 0.000 -6.287 0.000) 6.287 23.769 ( 0.000 -2.726 0.000) 2.726 23.826 ( 0.000 -6.138 0.000) 6.138 23.919 ( 0.000 -0.147 0.000) 0.147 23.952 ( 0.000 -1.591 0.000) 1.591 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.226 3.945 0.000) 3.951 2.948 ( 6.560 -6.403 0.000) 9.167 2.959 ( -2.820 7.291 0.000) 7.818 3.031 ( 0.618 9.222 0.000) 9.243 3.041 ( 0.380 2.434 0.000) 2.464 3.167 ( -3.708 10.972 0.000) 11.581 3.203 ( 1.597 3.004 0.000) 3.403 3.330 ( 2.032 2.065 0.000) 2.897 3.337 ( 0.971 4.740 0.000) 4.839 3.483 ( -2.310 -0.804 0.000) 2.446 3.528 ( -2.961 1.678 0.000) 3.404 3.540 ( -3.240 -3.453 0.000) 4.735 3.657 ( 5.790 0.769 0.000) 5.841 3.741 ( 5.848 -2.342 0.000) 6.300 3.804 ( 1.372 4.800 0.000) 4.992 3.982 ( -0.912 -4.784 0.000) 4.870 4.339 ( -2.333 6.225 0.000) 6.648 4.433 ( -3.186 2.342 0.000) 3.954 4.516 ( -9.381 10.780 0.000) 14.291 4.712 ( -11.203 0.999 0.000) 11.248 5.083 ( 11.622 6.933 0.000) 13.533 5.170 ( 8.511 3.595 0.000) 9.240 5.299 ( 3.357 4.327 0.000) 5.477 5.355 ( 3.326 1.393 0.000) 3.606 5.838 ( -3.345 8.738 0.000) 9.357 5.872 ( -3.015 1.651 0.000) 3.438 5.928 ( -1.910 -1.404 0.000) 2.370 6.057 ( -4.218 -1.481 0.000) 4.471 7.086 ( 5.262 10.447 0.000) 11.697 7.196 ( 1.092 5.767 0.000) 5.869 7.236 ( -2.599 6.082 0.000) 6.614 7.280 ( 0.836 3.432 0.000) 3.533 7.348 ( 8.219 2.019 0.000) 8.463 7.705 ( 2.833 13.394 0.000) 13.690 7.748 ( 0.260 -5.501 0.000) 5.508 7.805 ( 0.739 8.012 0.000) 8.046 8.070 ( -2.636 -1.777 0.000) 3.179 8.100 ( -7.717 12.281 0.000) 14.504 8.606 ( -0.173 -20.319 0.000) 20.320 8.656 ( 9.165 -6.229 0.000) 11.082 8.989 ( -1.702 4.688 0.000) 4.987 9.095 ( 3.564 5.269 0.000) 6.361 9.175 ( -3.667 14.799 0.000) 15.246 9.358 ( 8.982 0.611 0.000) 9.003 9.422 ( -3.327 -1.069 0.000) 3.495 9.598 ( 4.714 -3.770 0.000) 6.036 9.750 ( 8.311 -5.808 0.000) 10.140 9.766 ( 3.586 5.709 0.000) 6.742 9.830 ( -1.561 1.949 0.000) 2.497 9.968 ( 2.509 -11.705 0.000) 11.971 10.095 ( -4.447 4.279 0.000) 6.171 10.125 ( -1.537 -2.167 0.000) 2.657 10.423 ( -10.672 -1.629 0.000) 10.795 10.502 ( -6.544 -9.816 0.000) 11.798 10.524 ( -9.973 17.589 0.000) 20.220 10.828 ( -1.382 4.011 0.000) 4.242 10.884 ( 4.011 7.665 0.000) 8.651 11.005 ( -6.359 -0.989 0.000) 6.436 11.213 ( 6.438 5.432 0.000) 8.423 11.481 ( -0.747 -11.407 0.000) 11.431 11.739 ( 3.890 15.743 0.000) 16.216 12.027 ( -3.928 7.507 0.000) 8.472 12.163 ( -2.722 -9.129 0.000) 9.526 12.324 ( -10.649 0.528 0.000) 10.662 12.411 ( 3.542 14.500 0.000) 14.927 12.574 ( 1.471 7.522 0.000) 7.664 12.626 ( -2.146 -1.368 0.000) 2.545 12.699 ( -0.459 5.244 0.000) 5.264 13.126 ( 0.616 6.934 0.000) 6.961 13.157 ( 0.175 -0.535 0.000) 0.563 13.360 ( 6.316 -6.992 0.000) 9.423 13.522 ( 1.127 -10.429 0.000) 10.490 14.661 ( 5.671 -4.525 0.000) 7.255 14.682 ( 3.847 -4.995 0.000) 6.304 14.850 ( -1.771 1.011 0.000) 2.039 15.117 ( -3.975 -11.211 0.000) 11.895 16.156 ( -0.737 6.606 0.000) 6.647 16.172 ( -0.912 5.584 0.000) 5.658 16.202 ( 0.944 7.374 0.000) 7.435 16.207 ( 0.901 5.290 0.000) 5.366 16.437 ( 5.859 4.845 0.000) 7.603 16.739 ( 1.759 -2.944 0.000) 3.429 16.888 ( -1.768 2.811 0.000) 3.321 17.106 ( -10.036 -10.857 0.000) 14.785 18.554 ( 0.610 15.352 0.000) 15.364 18.615 ( -0.899 13.890 0.000) 13.919 19.137 ( 0.492 -15.258 0.000) 15.266 19.149 ( 0.606 -13.737 0.000) 13.750 21.813 ( 3.217 -0.474 0.000) 3.252 21.898 ( 4.164 -4.445 0.000) 6.091 22.137 ( -4.437 -2.168 0.000) 4.938 22.243 ( -4.189 -6.211 0.000) 7.492 23.777 ( 1.099 -1.841 0.000) 2.144 23.863 ( 3.157 -6.629 0.000) 7.343 23.896 ( -1.798 0.493 0.000) 1.864 23.966 ( 0.666 -3.223 0.000) 3.291 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 5.195 9.542 0.000) 10.865 2.875 ( -5.703 10.398 0.000) 11.859 3.030 ( 1.846 3.917 0.000) 4.330 3.046 ( 0.031 2.279 0.000) 2.279 3.055 ( 1.500 3.312 0.000) 3.636 3.094 ( -3.141 9.078 0.000) 9.606 3.270 ( 5.248 2.276 0.000) 5.720 3.357 ( -1.053 4.066 0.000) 4.201 3.377 ( 2.772 0.079 0.000) 2.773 3.418 ( -2.710 -2.805 0.000) 3.900 3.471 ( -2.324 -1.928 0.000) 3.020 3.479 ( -2.728 -3.008 0.000) 4.061 3.779 ( 5.577 1.671 0.000) 5.822 3.829 ( 0.380 2.774 0.000) 2.800 3.862 ( 5.607 -4.022 0.000) 6.900 3.946 ( -3.112 -3.865 0.000) 4.962 4.325 ( 2.150 6.041 0.000) 6.412 4.376 ( -1.431 3.847 0.000) 4.105 4.377 ( -4.170 7.415 0.000) 8.507 4.481 ( -10.984 2.122 0.000) 11.187 5.282 ( 6.706 8.416 0.000) 10.761 5.334 ( 8.332 4.968 0.000) 9.700 5.342 ( 0.067 6.559 0.000) 6.559 5.414 ( 1.062 2.853 0.000) 3.044 5.768 ( -2.492 6.018 0.000) 6.513 5.791 ( -4.195 2.334 0.000) 4.800 5.912 ( 0.707 -3.132 0.000) 3.211 5.964 ( -4.433 -2.429 0.000) 5.055 7.133 ( 0.958 10.056 0.000) 10.101 7.169 ( -2.988 7.726 0.000) 8.284 7.295 ( 5.153 0.156 0.000) 5.155 7.317 ( 1.639 -0.899 0.000) 1.869 7.511 ( 8.960 4.564 0.000) 10.055 7.709 ( -9.556 7.512 0.000) 12.155 7.798 ( 5.878 14.647 0.000) 15.783 7.818 ( 6.421 -1.704 0.000) 6.644 7.962 ( -5.716 12.770 0.000) 13.991 8.003 ( -5.459 -1.180 0.000) 5.585 8.630 ( 3.407 -19.354 0.000) 19.652 8.714 ( -3.140 -17.416 0.000) 17.697 9.017 ( 4.174 13.612 0.000) 14.238 9.100 ( -4.016 14.453 0.000) 15.001 9.194 ( 6.368 1.736 0.000) 6.600 9.322 ( -6.330 -1.692 0.000) 6.552 9.581 ( 11.890 5.265 0.000) 13.004 9.685 ( 1.990 1.473 0.000) 2.476 9.817 ( 2.614 -0.316 0.000) 2.633 9.859 ( -0.019 -3.528 0.000) 3.528 9.894 ( 5.714 1.580 0.000) 5.928 9.972 ( -5.320 2.149 0.000) 5.738 10.001 ( 2.084 -6.182 0.000) 6.524 10.148 ( -6.761 -5.335 0.000) 8.613 10.243 ( 2.594 2.173 0.000) 3.384 10.334 ( -7.114 9.285 0.000) 11.697 10.417 ( 1.053 -6.879 0.000) 6.959 10.639 ( -15.768 -4.730 0.000) 16.462 10.941 ( 1.563 8.697 0.000) 8.836 10.951 ( -0.093 8.997 0.000) 8.997 11.338 ( 5.921 1.039 0.000) 6.012 11.436 ( -3.950 -5.455 0.000) 6.735 11.856 ( 7.832 12.115 0.000) 14.427 11.979 ( -2.214 5.047 0.000) 5.511 12.101 ( -3.063 -3.209 0.000) 4.436 12.119 ( -7.897 5.087 0.000) 9.394 12.483 ( 3.818 7.979 0.000) 8.846 12.558 ( -3.687 2.686 0.000) 4.561 12.620 ( 2.320 5.529 0.000) 5.996 12.668 ( -2.334 4.555 0.000) 5.118 13.146 ( 1.139 4.821 0.000) 4.953 13.159 ( -0.182 2.315 0.000) 2.322 13.475 ( 4.685 -9.177 0.000) 10.304 13.529 ( -0.891 -10.374 0.000) 10.412 14.734 ( 3.565 -2.543 0.000) 4.379 14.802 ( -3.147 -0.317 0.000) 3.163 14.837 ( 9.257 -7.251 0.000) 11.759 15.004 ( -7.493 -9.657 0.000) 12.223 16.148 ( -0.021 6.457 0.000) 6.457 16.155 ( -0.698 5.823 0.000) 5.865 16.218 ( 0.482 5.665 0.000) 5.685 16.219 ( 0.300 4.916 0.000) 4.925 16.607 ( 11.447 2.256 0.000) 11.667 16.786 ( 2.838 -1.491 0.000) 3.206 16.841 ( -3.643 0.529 0.000) 3.681 16.863 ( -13.085 -3.725 0.000) 13.605 18.571 ( 1.054 15.126 0.000) 15.162 18.593 ( -1.198 14.645 0.000) 14.694 19.149 ( 0.601 -15.219 0.000) 15.231 19.156 ( -0.027 -14.819 0.000) 14.820 21.903 ( 5.804 -0.697 0.000) 5.846 22.005 ( 6.464 -5.243 0.000) 8.323 22.026 ( -6.483 -1.346 0.000) 6.622 22.135 ( -6.514 -5.891 0.000) 8.782 23.811 ( 2.216 -0.457 0.000) 2.263 23.856 ( -2.234 0.458 0.000) 2.280 23.926 ( 2.875 -6.707 0.000) 7.297 23.964 ( -0.973 -5.445 0.000) 5.531 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 -3.353 0.000) 3.353 2.749 ( 0.000 3.353 0.000) 3.353 3.050 ( 0.000 -1.101 0.000) 1.101 3.050 ( 0.000 1.101 0.000) 1.101 3.179 ( 0.000 -4.596 0.000) 4.596 3.179 ( 0.000 4.596 0.000) 4.596 3.325 ( 0.000 -0.849 0.000) 0.849 3.325 ( 0.000 0.849 0.000) 0.849 3.453 ( 0.000 -6.664 0.000) 6.664 3.453 ( 0.000 6.664 0.000) 6.664 3.548 ( 0.000 -3.497 0.000) 3.497 3.548 ( 0.000 3.497 0.000) 3.497 3.639 ( 0.000 -2.399 0.000) 2.399 3.639 ( 0.000 2.399 0.000) 2.399 3.886 ( 0.000 -4.883 0.000) 4.883 3.886 ( 0.000 4.883 0.000) 4.883 4.458 ( 0.000 -2.880 0.000) 2.880 4.458 ( 0.000 2.880 0.000) 2.880 4.853 ( 0.000 -4.184 0.000) 4.184 4.853 ( 0.000 4.184 0.000) 4.184 4.995 ( 0.000 -1.369 0.000) 1.369 4.995 ( 0.000 1.369 0.000) 1.369 5.313 ( 0.000 -1.462 0.000) 1.462 5.313 ( 0.000 1.462 0.000) 1.462 5.935 ( 0.000 -1.604 0.000) 1.604 5.935 ( 0.000 1.604 0.000) 1.604 6.029 ( 0.000 -6.043 0.000) 6.043 6.029 ( 0.000 6.043 0.000) 6.043 7.172 ( 0.000 -5.163 0.000) 5.163 7.172 ( 0.000 5.163 0.000) 5.163 7.329 ( 0.000 -1.765 0.000) 1.765 7.329 ( 0.000 1.765 0.000) 1.765 7.518 ( 0.000 -16.554 0.000) 16.554 7.518 ( 0.000 16.554 0.000) 16.554 7.862 ( 0.000 -0.350 0.000) 0.350 7.862 ( 0.000 0.350 0.000) 0.350 8.196 ( 0.000 -16.978 0.000) 16.978 8.196 ( 0.000 16.979 0.000) 16.979 8.396 ( 0.000 -9.051 0.000) 9.051 8.396 ( 0.000 9.051 0.000) 9.051 9.031 ( 0.000 -1.203 0.000) 1.203 9.031 ( 0.000 1.204 0.000) 1.204 9.415 ( 0.000 -3.161 0.000) 3.161 9.415 ( 0.000 3.162 0.000) 3.162 9.480 ( 0.000 -13.147 0.000) 13.147 9.480 ( 0.000 13.147 0.000) 13.147 9.624 ( 0.000 -13.961 0.000) 13.961 9.624 ( 0.000 13.961 0.000) 13.961 9.876 ( 0.000 -3.346 0.000) 3.346 9.876 ( 0.000 3.346 0.000) 3.346 10.153 ( 0.000 -4.687 0.000) 4.687 10.153 ( 0.000 4.687 0.000) 4.687 10.496 ( 0.000 -0.943 0.000) 0.943 10.496 ( 0.000 0.943 0.000) 0.943 10.896 ( 0.000 -1.090 0.000) 1.090 10.896 ( 0.000 1.090 0.000) 1.090 11.050 ( 0.000 -12.351 0.000) 12.351 11.050 ( 0.000 12.351 0.000) 12.351 11.144 ( 0.000 -17.752 0.000) 17.752 11.144 ( 0.000 17.752 0.000) 17.752 11.975 ( 0.000 -11.330 0.000) 11.330 11.975 ( 0.000 11.330 0.000) 11.330 12.257 ( 0.000 -9.507 0.000) 9.507 12.257 ( 0.000 9.508 0.000) 9.508 12.640 ( 0.000 -0.017 0.000) 0.017 12.640 ( 0.000 0.018 0.000) 0.018 12.695 ( 0.000 -7.965 0.000) 7.965 12.695 ( 0.000 7.965 0.000) 7.965 13.179 ( 0.000 -4.285 0.000) 4.285 13.179 ( 0.000 4.285 0.000) 4.285 13.296 ( 0.000 -10.621 0.000) 10.621 13.296 ( 0.000 10.621 0.000) 10.621 14.574 ( 0.000 -1.671 0.000) 1.671 14.574 ( 0.000 1.671 0.000) 1.671 14.962 ( 0.000 -7.821 0.000) 7.821 14.962 ( 0.000 7.821 0.000) 7.821 16.239 ( 0.000 -1.064 0.000) 1.064 16.239 ( 0.000 1.064 0.000) 1.064 16.247 ( 0.000 -0.922 0.000) 0.922 16.247 ( 0.000 0.922 0.000) 0.922 16.583 ( 0.000 -10.606 0.000) 10.606 16.583 ( 0.000 10.606 0.000) 10.606 17.004 ( 0.000 -7.213 0.000) 7.213 17.004 ( 0.000 7.213 0.000) 7.213 18.842 ( 0.000 -14.774 0.000) 14.774 18.842 ( 0.000 14.774 0.000) 14.774 18.885 ( 0.000 -13.279 0.000) 13.279 18.885 ( 0.000 13.279 0.000) 13.279 21.795 ( 0.000 -1.949 0.000) 1.949 21.795 ( 0.000 1.949 0.000) 1.949 22.184 ( 0.000 -3.033 0.000) 3.033 22.184 ( 0.000 3.033 0.000) 3.033 23.755 ( 0.000 -1.345 0.000) 1.345 23.755 ( 0.000 1.345 0.000) 1.345 23.926 ( 0.000 -0.952 0.000) 0.952 23.926 ( 0.000 0.952 0.000) 0.952 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 5.519 -6.626 0.000) 8.623 2.807 ( 5.519 6.626 0.000) 8.623 3.043 ( -0.715 -1.975 0.000) 2.101 3.043 ( -0.715 1.975 0.000) 2.101 3.183 ( 0.568 -4.926 0.000) 4.958 3.183 ( 0.568 4.926 0.000) 4.958 3.325 ( -0.225 -3.754 0.000) 3.760 3.325 ( -0.225 3.754 0.000) 3.760 3.437 ( -1.290 -5.593 0.000) 5.739 3.437 ( -1.290 5.593 0.000) 5.740 3.502 ( -4.273 -3.030 0.000) 5.239 3.502 ( -4.273 3.030 0.000) 5.239 3.696 ( 5.205 -2.332 0.000) 5.703 3.696 ( 5.205 2.332 0.000) 5.703 3.888 ( 0.140 -4.353 0.000) 4.355 3.888 ( 0.140 4.353 0.000) 4.355 4.429 ( -2.379 -2.622 0.000) 3.540 4.429 ( -2.379 2.622 0.000) 3.540 4.671 ( -11.380 -5.092 0.000) 12.467 4.671 ( -11.380 5.092 0.000) 12.467 5.182 ( 11.722 -2.540 0.000) 11.994 5.182 ( 11.722 2.540 0.000) 11.994 5.356 ( 3.828 -1.391 0.000) 4.073 5.356 ( 3.828 1.391 0.000) 4.073 5.900 ( -3.122 -1.355 0.000) 3.404 5.900 ( -3.122 1.355 0.000) 3.404 5.986 ( -4.232 -5.854 0.000) 7.224 5.986 ( -4.232 5.854 0.000) 7.224 7.231 ( 4.382 -3.235 0.000) 5.447 7.231 ( 4.382 3.235 0.000) 5.447 7.308 ( -1.727 -1.001 0.000) 1.996 7.308 ( -1.727 1.002 0.000) 1.996 7.525 ( 2.287 -14.822 0.000) 14.998 7.525 ( 2.287 14.822 0.000) 14.998 7.907 ( 3.093 -3.498 0.000) 4.669 7.907 ( 3.093 3.498 0.000) 4.669 8.169 ( -2.050 -19.232 0.000) 19.341 8.169 ( -2.050 19.233 0.000) 19.341 8.378 ( -2.196 -16.018 0.000) 16.167 8.378 ( -2.196 16.018 0.000) 16.168 9.088 ( 4.990 -3.899 0.000) 6.333 9.088 ( 4.990 3.900 0.000) 6.333 9.368 ( -3.880 -4.399 0.000) 5.865 9.368 ( -3.880 4.399 0.000) 5.865 9.561 ( 8.035 -12.539 0.000) 14.893 9.561 ( 8.035 12.539 0.000) 14.893 9.682 ( 4.888 -10.960 0.000) 12.001 9.682 ( 4.888 10.961 0.000) 12.001 9.868 ( -0.298 -3.097 0.000) 3.111 9.868 ( -0.298 3.097 0.000) 3.111 10.136 ( -1.830 -2.088 0.000) 2.777 10.136 ( -1.830 2.088 0.000) 2.777 10.387 ( -8.791 -0.396 0.000) 8.800 10.387 ( -8.791 0.396 0.000) 8.800 10.788 ( -10.446 -7.458 0.000) 12.836 10.788 ( -10.446 7.458 0.000) 12.836 11.107 ( 4.384 -12.584 0.000) 13.326 11.107 ( 4.384 12.584 0.000) 13.326 11.168 ( 1.840 -16.775 0.000) 16.876 11.168 ( 1.840 16.775 0.000) 16.876 11.985 ( 1.080 -9.805 0.000) 9.864 11.985 ( 1.080 9.805 0.000) 9.864 12.192 ( -5.499 -8.871 0.000) 10.437 12.192 ( -5.499 8.871 0.000) 10.437 12.639 ( -0.040 -1.116 0.000) 1.117 12.639 ( -0.040 1.117 0.000) 1.117 12.686 ( -0.962 -7.876 0.000) 7.935 12.686 ( -0.963 7.877 0.000) 7.935 13.219 ( 3.448 -6.327 0.000) 7.206 13.219 ( 3.448 6.327 0.000) 7.206 13.303 ( 0.590 -11.099 0.000) 11.115 13.303 ( 0.590 11.099 0.000) 11.115 14.623 ( 4.680 -0.672 0.000) 4.728 14.623 ( 4.680 0.673 0.000) 4.729 14.934 ( -2.855 -7.233 0.000) 7.776 14.934 ( -2.855 7.233 0.000) 7.776 16.239 ( -0.024 -1.681 0.000) 1.681 16.239 ( -0.024 1.682 0.000) 1.682 16.245 ( -0.151 -1.698 0.000) 1.705 16.245 ( -0.151 1.698 0.000) 1.705 16.616 ( 3.374 -9.450 0.000) 10.034 16.616 ( 3.374 9.451 0.000) 10.035 16.956 ( -4.721 -4.890 0.000) 6.797 16.956 ( -4.721 4.890 0.000) 6.797 18.847 ( 0.495 -14.749 0.000) 14.757 18.847 ( 0.495 14.749 0.000) 14.757 18.882 ( -0.262 -13.637 0.000) 13.639 18.882 ( -0.262 13.637 0.000) 13.639 21.829 ( 3.453 -2.280 0.000) 4.137 21.829 ( 3.453 2.280 0.000) 4.137 22.142 ( -4.036 -3.067 0.000) 5.069 22.142 ( -4.036 3.067 0.000) 5.069 23.779 ( 2.314 -2.112 0.000) 3.133 23.779 ( 2.314 2.112 0.000) 3.133 23.916 ( -1.013 -1.782 0.000) 2.050 23.916 ( -1.013 1.782 0.000) 2.050 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 6.217 -7.708 0.000) 9.903 2.932 ( 6.217 7.709 0.000) 9.903 3.016 ( -2.443 -4.293 0.000) 4.939 3.016 ( -2.443 4.293 0.000) 4.939 3.213 ( 3.014 -6.834 0.000) 7.469 3.213 ( 3.014 6.834 0.000) 7.469 3.293 ( -3.782 -9.249 0.000) 9.992 3.293 ( -3.782 9.249 0.000) 9.992 3.415 ( -0.756 -3.026 0.000) 3.119 3.415 ( -0.756 3.026 0.000) 3.119 3.423 ( -2.349 -2.749 0.000) 3.617 3.423 ( -2.349 2.750 0.000) 3.617 3.809 ( 5.446 -1.769 0.000) 5.726 3.809 ( 5.446 1.769 0.000) 5.726 3.879 ( -1.603 -2.745 0.000) 3.178 3.879 ( -1.603 2.745 0.000) 3.178 4.401 ( 0.494 -1.374 0.000) 1.460 4.401 ( 0.494 1.375 0.000) 1.461 4.478 ( -7.556 -2.704 0.000) 8.025 4.478 ( -7.556 2.704 0.000) 8.025 5.378 ( 7.185 -1.111 0.000) 7.270 5.378 ( 7.185 1.111 0.000) 7.270 5.425 ( 1.930 -1.811 0.000) 2.646 5.425 ( 1.930 1.811 0.000) 2.646 5.846 ( -1.206 -3.308 0.000) 3.521 5.846 ( -1.206 3.308 0.000) 3.521 5.887 ( -4.881 -5.420 0.000) 7.294 5.887 ( -4.881 5.420 0.000) 7.294 7.275 ( 0.310 -3.326 0.000) 3.340 7.275 ( 0.310 3.326 0.000) 3.340 7.280 ( -0.795 -3.375 0.000) 3.467 7.280 ( -0.795 3.375 0.000) 3.467 7.663 ( 11.042 -10.672 0.000) 15.357 7.663 ( 11.042 10.672 0.000) 15.357 7.871 ( -8.050 -7.978 0.000) 11.334 7.871 ( -8.050 7.978 0.000) 11.334 8.191 ( 5.039 -21.904 0.000) 22.476 8.191 ( 5.039 21.904 0.000) 22.476 8.304 ( -5.347 -20.657 0.000) 21.338 8.304 ( -5.347 20.657 0.000) 21.338 9.192 ( 5.211 -3.663 0.000) 6.370 9.192 ( 5.211 3.663 0.000) 6.370 9.286 ( -4.498 -4.102 0.000) 6.087 9.286 ( -4.498 4.102 0.000) 6.088 9.733 ( 6.905 -7.668 0.000) 10.319 9.733 ( 6.905 7.668 0.000) 10.319 9.770 ( 2.606 -6.219 0.000) 6.743 9.770 ( 2.606 6.219 0.000) 6.743 9.901 ( 4.816 -0.163 0.000) 4.819 9.901 ( 4.816 0.163 0.000) 4.819 10.046 ( -8.101 -4.662 0.000) 9.346 10.046 ( -8.101 4.662 0.000) 9.347 10.307 ( 4.380 -4.260 0.000) 6.110 10.307 ( 4.380 4.260 0.000) 6.110 10.526 ( -14.936 -7.539 0.000) 16.730 10.526 ( -14.936 7.539 0.000) 16.731 11.177 ( 2.309 -13.790 0.000) 13.982 11.177 ( 2.309 13.790 0.000) 13.982 11.194 ( 0.443 -15.351 0.000) 15.357 11.194 ( 0.443 15.351 0.000) 15.357 12.020 ( 2.523 -5.814 0.000) 6.338 12.020 ( 2.523 5.814 0.000) 6.338 12.088 ( -4.597 -5.658 0.000) 7.290 12.088 ( -4.597 5.658 0.000) 7.290 12.643 ( 0.550 -3.538 0.000) 3.580 12.643 ( 0.550 3.538 0.000) 3.581 12.662 ( -1.286 -6.262 0.000) 6.392 12.662 ( -1.286 6.262 0.000) 6.393 13.282 ( 2.506 -9.415 0.000) 9.743 13.282 ( 2.506 9.415 0.000) 9.743 13.309 ( -0.308 -11.101 0.000) 11.105 13.309 ( -0.308 11.101 0.000) 11.105 14.736 ( 6.418 -2.808 0.000) 7.005 14.736 ( 6.418 2.808 0.000) 7.006 14.854 ( -5.323 -5.489 0.000) 7.646 14.854 ( -5.323 5.490 0.000) 7.646 16.239 ( 0.080 -2.402 0.000) 2.403 16.239 ( 0.080 2.402 0.000) 2.404 16.242 ( -0.189 -2.443 0.000) 2.450 16.242 ( -0.189 2.443 0.000) 2.450 16.709 ( 6.027 -5.932 0.000) 8.456 16.709 ( 6.027 5.932 0.000) 8.457 16.838 ( -6.849 -0.554 0.000) 6.871 16.838 ( -6.849 0.554 0.000) 6.871 18.860 ( 0.749 -14.623 0.000) 14.642 18.860 ( 0.749 14.623 0.000) 14.642 18.874 ( -0.615 -14.254 0.000) 14.268 18.874 ( -0.615 14.254 0.000) 14.268 21.921 ( 5.749 -2.795 0.000) 6.392 21.921 ( 5.749 2.795 0.000) 6.392 22.040 ( -6.091 -3.055 0.000) 6.814 22.040 ( -6.091 3.055 0.000) 6.814 23.834 ( 2.973 -2.852 0.000) 4.120 23.834 ( 2.973 2.852 0.000) 4.120 23.885 ( -2.189 -2.706 0.000) 3.480 23.885 ( -2.189 2.706 0.000) 3.480 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 0.000 28.177) 28.177 0.809 ( 0.000 0.000 34.759) 34.759 1.279 ( 0.000 0.000 54.399) 54.399 1.843 ( 0.000 0.000 -24.111) 24.111 2.099 ( 0.000 0.000 -21.999) 21.999 2.394 ( 0.000 0.000 2.042) 2.042 2.399 ( 0.000 0.000 8.445) 8.445 2.524 ( 0.000 0.000 6.461) 6.461 2.778 ( 0.000 0.000 5.909) 5.909 2.792 ( 0.000 0.000 5.555) 5.555 2.945 ( 0.000 0.000 -2.213) 2.213 2.966 ( 0.000 0.000 -8.077) 8.077 3.144 ( 0.000 0.000 -3.084) 3.084 3.203 ( 0.000 0.000 2.935) 2.935 3.226 ( 0.000 0.000 -14.862) 14.862 3.293 ( 0.000 0.000 -0.988) 0.988 3.303 ( 0.000 0.000 7.486) 7.486 3.647 ( 0.000 0.000 -5.799) 5.799 3.656 ( 0.000 0.000 8.653) 8.653 4.117 ( 0.000 0.000 -6.377) 6.377 4.312 ( 0.000 0.000 7.494) 7.494 4.761 ( 0.000 0.000 -9.112) 9.112 4.769 ( 0.000 0.000 3.262) 3.262 4.856 ( 0.000 0.000 0.134) 0.134 4.868 ( 0.000 0.000 -0.308) 0.308 5.089 ( 0.000 0.000 -3.310) 3.310 5.160 ( 0.000 0.000 1.127) 1.127 5.219 ( 0.000 0.000 -0.951) 0.951 5.673 ( 0.000 0.000 -1.393) 1.393 5.806 ( 0.000 0.000 -2.873) 2.873 6.451 ( 0.000 0.000 -0.169) 0.169 6.495 ( 0.000 0.000 1.411) 1.411 6.895 ( 0.000 0.000 1.802) 1.802 7.054 ( 0.000 0.000 -2.017) 2.017 7.222 ( 0.000 0.000 0.511) 0.511 7.249 ( 0.000 0.000 -1.478) 1.478 7.487 ( 0.000 0.000 -1.684) 1.684 7.720 ( 0.000 0.000 -15.634) 15.634 7.864 ( 0.000 0.000 7.663) 7.663 8.069 ( 0.000 0.000 1.339) 1.339 8.148 ( 0.000 0.000 -1.445) 1.445 8.176 ( 0.000 0.000 6.164) 6.164 8.282 ( 0.000 0.000 -5.304) 5.304 8.448 ( 0.000 0.000 -5.241) 5.241 8.824 ( 0.000 0.000 4.742) 4.742 8.980 ( 0.000 0.000 0.453) 0.453 9.172 ( 0.000 0.000 -1.859) 1.859 9.232 ( 0.000 0.000 19.586) 19.586 9.278 ( 0.000 0.000 -6.076) 6.076 9.588 ( 0.000 0.000 6.884) 6.884 9.799 ( 0.000 0.000 -5.600) 5.600 9.823 ( 0.000 0.000 -2.987) 2.987 10.180 ( 0.000 0.000 2.760) 2.760 10.223 ( 0.000 0.000 9.533) 9.533 10.369 ( 0.000 0.000 -4.974) 4.974 10.811 ( 0.000 0.000 15.257) 15.257 10.927 ( 0.000 0.000 -16.989) 16.989 10.934 ( 0.000 0.000 4.213) 4.213 11.309 ( 0.000 0.000 -10.122) 10.122 11.389 ( 0.000 0.000 -0.685) 0.685 11.487 ( 0.000 0.000 -2.058) 2.058 11.788 ( 0.000 0.000 -12.314) 12.314 11.847 ( 0.000 0.000 7.068) 7.068 12.077 ( 0.000 0.000 -2.002) 2.002 12.250 ( 0.000 0.000 12.803) 12.803 13.139 ( 0.000 0.000 16.572) 16.572 13.224 ( 0.000 0.000 -26.390) 26.390 13.243 ( 0.000 0.000 15.182) 15.182 13.354 ( 0.000 0.000 1.484) 1.484 13.536 ( 0.000 0.000 -7.784) 7.784 13.869 ( 0.000 0.000 -10.612) 10.612 13.910 ( 0.000 0.000 -9.596) 9.596 14.174 ( 0.000 0.000 4.445) 4.445 14.369 ( 0.000 0.000 -5.078) 5.078 14.802 ( 0.000 0.000 6.615) 6.615 15.080 ( 0.000 0.000 -2.867) 2.867 15.208 ( 0.000 0.000 2.421) 2.421 15.312 ( 0.000 0.000 -0.901) 0.901 15.562 ( 0.000 0.000 17.143) 17.143 16.190 ( 0.000 0.000 -7.556) 7.556 17.426 ( 0.000 0.000 22.955) 22.955 18.379 ( 0.000 0.000 1.921) 1.921 18.382 ( 0.000 0.000 1.912) 1.912 18.481 ( 0.000 0.000 -1.715) 1.715 18.486 ( 0.000 0.000 -1.741) 1.741 18.533 ( 0.000 0.000 -16.459) 16.459 19.859 ( 0.000 0.000 2.930) 2.930 20.063 ( 0.000 0.000 -4.096) 4.096 20.762 ( 0.000 0.000 3.305) 3.305 21.036 ( 0.000 0.000 -8.338) 8.338 21.413 ( 0.000 0.000 7.125) 7.125 21.614 ( 0.000 0.000 -1.923) 1.923 23.855 ( 0.000 0.000 6.177) 6.177 24.336 ( 0.000 0.000 -13.713) 13.713 25.127 ( 0.000 0.000 14.911) 14.911 25.689 ( 0.000 0.000 -7.784) 7.784 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 18.314 0.000 19.033) 26.413 0.999 ( 17.493 0.000 27.126) 32.277 1.577 ( 27.930 0.000 43.166) 51.414 1.872 ( 1.701 0.000 -23.489) 23.551 2.090 ( -3.736 0.000 -13.875) 14.369 2.227 ( -11.824 0.000 8.677) 14.666 2.388 ( -2.413 0.000 0.534) 2.472 2.402 ( -7.260 0.000 1.114) 7.345 2.768 ( -1.465 0.000 7.226) 7.373 2.769 ( -5.649 0.000 -5.252) 7.713 2.845 ( -10.650 0.000 -1.107) 10.707 2.915 ( 0.303 0.000 5.655) 5.663 3.095 ( -3.117 0.000 1.788) 3.594 3.212 ( 7.305 0.000 -9.320) 11.841 3.281 ( 4.827 0.000 -0.268) 4.834 3.330 ( 2.903 0.000 -1.132) 3.116 3.489 ( 4.389 0.000 -2.529) 5.065 3.617 ( -0.493 0.000 7.522) 7.538 3.759 ( 8.191 0.000 -7.684) 11.231 4.069 ( -13.321 0.000 -2.600) 13.572 4.277 ( 3.698 0.000 3.692) 5.226 4.508 ( -8.048 0.000 4.413) 9.179 4.884 ( 2.953 0.000 0.403) 2.980 4.909 ( 1.419 0.000 -7.122) 7.262 4.911 ( 3.916 0.000 -0.579) 3.958 5.083 ( -1.371 0.000 -3.964) 4.194 5.134 ( -2.653 0.000 1.110) 2.876 5.191 ( -2.846 0.000 -0.910) 2.988 5.704 ( 4.249 0.000 0.668) 4.301 5.931 ( 7.749 0.000 -7.674) 10.906 6.269 ( -11.238 0.000 9.163) 14.500 6.401 ( -4.793 0.000 0.457) 4.814 6.994 ( 8.222 0.000 2.049) 8.473 7.206 ( 1.233 0.000 -2.443) 2.737 7.281 ( 5.423 0.000 -0.402) 5.438 7.439 ( 15.821 0.000 -4.137) 16.353 7.571 ( 3.314 0.000 -5.081) 6.066 7.793 ( 5.041 0.000 -9.523) 10.774 7.863 ( 0.615 0.000 4.031) 4.077 8.057 ( 1.331 0.000 -2.291) 2.650 8.077 ( 0.831 0.000 1.123) 1.397 8.141 ( -0.714 0.000 -1.097) 1.309 8.372 ( 1.493 0.000 -0.582) 1.602 8.445 ( 0.110 0.000 -9.623) 9.624 8.887 ( 6.280 0.000 4.514) 7.734 9.019 ( 3.729 0.000 0.892) 3.834 9.185 ( 1.261 0.000 -2.262) 2.589 9.257 ( 3.767 0.000 8.358) 9.168 9.263 ( -1.325 0.000 -5.389) 5.550 9.528 ( -5.910 0.000 5.522) 8.088 9.660 ( -12.599 0.000 -0.134) 12.600 9.728 ( -8.566 0.000 -5.824) 10.358 9.975 ( -15.229 0.000 5.175) 16.084 10.269 ( -9.447 0.000 -7.653) 12.158 10.367 ( 10.963 0.000 6.467) 12.728 10.793 ( 0.099 0.000 14.255) 14.255 10.859 ( -4.480 0.000 -0.778) 4.547 11.008 ( 4.773 0.000 -10.785) 11.794 11.284 ( -2.549 0.000 -10.369) 10.678 11.313 ( -11.843 0.000 -4.927) 12.827 11.471 ( 6.068 0.000 3.023) 6.779 11.817 ( -1.847 0.000 -2.066) 2.771 11.875 ( 6.231 0.000 10.651) 12.340 12.161 ( 7.748 0.000 4.507) 8.964 12.561 ( 19.859 0.000 -9.530) 22.028 13.148 ( -5.650 0.000 -18.014) 18.879 13.149 ( 1.019 0.000 16.427) 16.459 13.233 ( -0.950 0.000 15.304) 15.333 13.397 ( 2.828 0.000 -4.832) 5.598 13.539 ( -0.233 0.000 -9.404) 9.407 13.873 ( 0.392 0.000 -10.512) 10.520 13.906 ( -0.382 0.000 -9.690) 9.698 14.200 ( 2.277 0.000 3.789) 4.421 14.383 ( -1.355 0.000 0.910) 1.632 14.714 ( -3.644 0.000 13.543) 14.025 15.036 ( -2.755 0.000 -2.173) 3.509 15.223 ( 1.659 0.000 1.279) 2.094 15.310 ( -0.271 0.000 -1.137) 1.169 15.564 ( 1.214 0.000 14.831) 14.881 16.085 ( -10.430 0.000 -4.898) 11.523 17.449 ( 2.463 0.000 24.408) 24.532 18.189 ( -28.433 0.000 25.247) 38.024 18.379 ( 0.013 0.000 1.914) 1.914 18.381 ( -0.047 0.000 1.906) 1.907 18.482 ( 0.058 0.000 -1.711) 1.712 18.485 ( -0.020 0.000 -1.732) 1.733 19.753 ( -6.486 0.000 0.157) 6.488 20.061 ( -1.360 0.000 -6.089) 6.239 20.533 ( -21.845 0.000 20.917) 30.244 20.808 ( -10.564 0.000 9.433) 14.163 20.988 ( -6.723 0.000 -7.781) 10.283 21.278 ( -18.733 0.000 -2.785) 18.939 24.032 ( 15.099 0.000 7.193) 16.725 24.644 ( 2.623 0.000 -15.459) 15.680 25.498 ( 23.133 0.000 -5.895) 23.873 25.811 ( 9.754 0.000 -12.683) 16.000 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 22.864 0.000 8.977) 24.563 1.406 ( 22.752 0.000 16.824) 28.297 1.692 ( -19.420 0.000 -0.883) 19.440 1.836 ( -20.106 0.000 7.558) 21.480 2.064 ( 10.070 0.000 -0.530) 10.084 2.185 ( 0.340 0.000 4.213) 4.226 2.418 ( 7.164 0.000 -13.468) 15.255 2.462 ( 25.080 0.000 9.953) 26.983 2.597 ( -10.184 0.000 -12.244) 15.926 2.692 ( -2.395 0.000 8.334) 8.672 2.749 ( -0.547 0.000 5.370) 5.398 2.960 ( 3.311 0.000 7.515) 8.211 3.029 ( -3.602 0.000 5.034) 6.190 3.197 ( -32.243 0.000 10.596) 33.940 3.355 ( 2.486 0.000 -0.946) 2.660 3.371 ( 0.806 0.000 -1.197) 1.443 3.397 ( 8.889 0.000 -4.928) 10.164 3.558 ( -7.177 0.000 -4.828) 8.650 3.878 ( 7.163 0.000 -10.767) 12.932 3.955 ( 1.114 0.000 -0.676) 1.303 4.404 ( 3.959 0.000 -1.569) 4.259 4.434 ( -0.830 0.000 4.162) 4.244 4.902 ( 1.711 0.000 -4.997) 5.282 4.963 ( 4.758 0.000 0.619) 4.798 5.003 ( 4.697 0.000 -0.932) 4.789 5.007 ( -6.433 0.000 -3.647) 7.395 5.065 ( -3.805 0.000 1.118) 3.966 5.114 ( -4.812 0.000 -0.748) 4.870 5.823 ( 7.315 0.000 1.158) 7.406 5.961 ( -5.565 0.000 -2.678) 6.176 6.197 ( 4.020 0.000 4.109) 5.748 6.301 ( -5.403 0.000 0.813) 5.463 7.146 ( 6.530 0.000 -1.943) 6.813 7.214 ( -0.604 0.000 -2.431) 2.505 7.348 ( 1.987 0.000 1.553) 2.523 7.456 ( -9.346 0.000 -2.571) 9.694 7.728 ( 15.015 0.000 1.386) 15.079 7.914 ( 9.538 0.000 4.563) 10.573 7.988 ( -7.007 0.000 -1.778) 7.229 8.025 ( 1.032 0.000 -0.020) 1.032 8.098 ( 1.251 0.000 0.525) 1.357 8.123 ( -1.158 0.000 -0.307) 1.198 8.385 ( 3.780 0.000 -4.149) 5.612 8.492 ( 0.578 0.000 -8.480) 8.500 9.048 ( 8.983 0.000 3.757) 9.737 9.103 ( 3.835 0.000 1.664) 4.180 9.197 ( -0.553 0.000 -2.624) 2.682 9.248 ( -0.898 0.000 -2.464) 2.622 9.344 ( 3.357 0.000 -6.133) 6.992 9.382 ( -6.344 0.000 2.346) 6.764 9.438 ( -8.653 0.000 0.549) 8.670 9.465 ( -12.609 0.000 -3.833) 13.178 9.843 ( 2.941 0.000 -2.664) 3.968 10.029 ( -13.477 0.000 -10.755) 17.242 10.576 ( 10.019 0.000 4.420) 10.950 10.746 ( -7.276 0.000 2.629) 7.736 10.874 ( 8.164 0.000 9.340) 12.406 11.078 ( -11.903 0.000 0.745) 11.926 11.112 ( 5.573 0.000 -11.725) 12.982 11.213 ( -4.620 0.000 -11.038) 11.966 11.600 ( 6.865 0.000 4.556) 8.240 11.729 ( -6.023 0.000 3.462) 6.947 12.063 ( 10.648 0.000 12.827) 16.671 12.218 ( -3.349 0.000 10.871) 11.375 12.858 ( 11.106 0.000 -15.437) 19.017 13.028 ( -7.005 0.000 -15.949) 17.419 13.176 ( 1.612 0.000 16.061) 16.142 13.208 ( -1.570 0.000 15.633) 15.711 13.454 ( 2.995 0.000 -5.844) 6.567 13.510 ( -2.582 0.000 -7.391) 7.829 13.883 ( 0.629 0.000 -10.254) 10.273 13.896 ( -0.623 0.000 -9.940) 9.959 14.245 ( 2.254 0.000 5.195) 5.663 14.300 ( -4.043 0.000 10.008) 10.794 14.804 ( 9.530 0.000 -1.868) 9.711 14.966 ( -5.752 0.000 -4.399) 7.241 15.261 ( 2.641 0.000 1.637) 3.108 15.307 ( -0.948 0.000 -0.292) 0.992 15.631 ( 6.382 0.000 10.641) 12.408 15.831 ( -13.567 0.000 2.780) 13.849 17.533 ( 6.664 0.000 29.757) 30.494 17.741 ( -15.931 0.000 37.746) 40.971 18.379 ( 0.037 0.000 1.902) 1.902 18.380 ( -0.058 0.000 1.899) 1.899 18.483 ( 0.074 0.000 -1.708) 1.709 18.485 ( -0.051 0.000 -1.716) 1.717 19.771 ( 7.610 0.000 -12.848) 14.933 19.960 ( -9.163 0.000 -11.295) 14.544 20.412 ( 4.170 0.000 8.531) 9.496 20.588 ( -12.628 0.000 2.875) 12.951 20.919 ( 0.445 0.000 -4.299) 4.322 21.003 ( -8.564 0.000 -4.927) 9.880 24.332 ( 14.248 0.000 3.958) 14.788 24.559 ( -8.805 0.000 -3.198) 9.368 25.800 ( 10.164 0.000 -5.301) 11.463 25.911 ( -0.740 0.000 -9.528) 9.557 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 15.889 22.659) 27.675 0.882 ( 0.000 22.049 19.533) 29.457 1.792 ( 0.000 38.164 40.467) 55.624 1.931 ( 0.000 8.929 -22.561) 24.264 2.057 ( 0.000 -1.834 -21.438) 21.516 2.424 ( 0.000 4.089 4.884) 6.370 2.433 ( 0.000 3.270 0.294) 3.283 2.685 ( 0.000 13.621 6.619) 15.144 2.794 ( 0.000 2.847 6.211) 6.833 2.855 ( 0.000 5.196 7.660) 9.256 2.993 ( 0.000 5.670 -5.182) 7.682 3.055 ( 0.000 7.132 -3.647) 8.010 3.092 ( 0.000 -2.163 0.520) 2.224 3.248 ( 0.000 6.198 -3.751) 7.245 3.294 ( 0.000 -1.262 4.229) 4.413 3.351 ( 0.000 10.433 -5.064) 11.597 3.431 ( 0.000 9.492 3.200) 10.017 3.642 ( 0.000 2.614 5.323) 5.930 3.675 ( 0.000 3.483 -8.165) 8.877 4.056 ( 0.000 -4.059 -6.293) 7.489 4.298 ( 0.000 0.832 7.220) 7.268 4.676 ( 0.000 -1.805 5.239) 5.541 4.752 ( 0.000 -0.005 -8.610) 8.610 5.045 ( 0.000 1.521 -4.780) 5.016 5.190 ( 0.000 22.985 1.814) 23.056 5.285 ( 0.000 29.496 -2.194) 29.577 5.413 ( 0.000 24.183 1.507) 24.230 5.503 ( 0.000 26.867 -1.524) 26.911 5.722 ( 0.000 5.654 -0.771) 5.707 5.820 ( 0.000 1.890 -1.522) 2.427 6.319 ( 0.000 -6.517 8.448) 10.669 6.423 ( 0.000 -1.713 -1.335) 2.172 6.899 ( 0.000 0.539 1.602) 1.690 7.049 ( 0.000 -0.441 -2.149) 2.194 7.253 ( 0.000 3.440 -0.449) 3.469 7.257 ( 0.000 0.542 -0.970) 1.111 7.421 ( 0.000 -0.533 -1.035) 1.165 7.661 ( 0.000 -5.071 -13.954) 14.847 7.797 ( 0.000 2.764 12.365) 12.670 8.130 ( 0.000 -2.840 4.620) 5.423 8.194 ( 0.000 1.248 -2.907) 3.164 8.325 ( 0.000 2.572 0.636) 2.649 8.464 ( 0.000 6.288 -10.828) 12.521 8.546 ( 0.000 21.032 -16.119) 26.498 8.958 ( 0.000 -4.820 8.445) 9.724 9.002 ( 0.000 14.072 3.760) 14.566 9.176 ( 0.000 4.419 -0.075) 4.419 9.195 ( 0.000 -6.858 -3.415) 7.661 9.313 ( 0.000 6.638 11.347) 13.146 9.570 ( 0.000 -0.896 6.114) 6.179 9.810 ( 0.000 2.567 4.904) 5.535 9.879 ( 0.000 3.286 0.171) 3.290 9.953 ( 0.000 11.495 0.043) 11.495 10.196 ( 0.000 4.142 -4.005) 5.762 10.702 ( 0.000 -6.924 8.110) 10.664 10.805 ( 0.000 -7.896 0.187) 7.899 11.002 ( 0.000 3.631 -3.612) 5.122 11.335 ( 0.000 6.673 -10.573) 12.503 11.346 ( 0.000 3.522 -8.868) 9.542 11.530 ( 0.000 30.935 -23.171) 38.651 11.546 ( 0.000 5.006 2.046) 5.408 11.868 ( 0.000 7.401 -8.117) 10.985 11.879 ( 0.000 3.055 9.089) 9.588 12.231 ( 0.000 -2.217 13.341) 13.524 12.340 ( 0.000 18.762 -19.063) 26.747 12.833 ( 0.000 -25.514 11.615) 28.033 12.906 ( 0.000 -22.049 10.052) 24.232 13.070 ( 0.000 -19.807 -11.476) 22.892 13.354 ( 0.000 -8.055 -22.130) 23.550 13.522 ( 0.000 5.547 5.601) 7.883 13.540 ( 0.000 -19.447 -13.835) 23.866 13.972 ( 0.000 2.842 -11.555) 11.899 14.222 ( 0.000 1.885 4.893) 5.244 14.430 ( 0.000 5.177 -5.093) 7.262 15.032 ( 0.000 19.790 8.058) 21.368 15.230 ( 0.000 1.010 4.918) 5.020 15.399 ( 0.000 8.274 -1.356) 8.384 15.447 ( 0.000 25.084 -9.533) 26.834 15.581 ( 0.000 2.971 15.773) 16.050 16.157 ( 0.000 -3.179 -6.912) 7.608 17.401 ( 0.000 -3.013 15.602) 15.890 17.782 ( 0.000 -36.074 13.379) 38.475 17.920 ( 0.000 -29.303 -4.682) 29.674 18.059 ( 0.000 -33.548 -3.170) 33.697 18.261 ( 0.000 -10.560 9.519) 14.217 19.018 ( 0.000 21.140 -15.479) 26.201 20.172 ( 0.000 19.974 3.644) 20.303 20.218 ( 0.000 -3.324 9.803) 10.351 20.984 ( 0.000 20.404 1.592) 20.466 21.153 ( 0.000 12.564 -5.642) 13.773 21.436 ( 0.000 3.733 5.234) 6.429 21.550 ( 0.000 1.175 0.598) 1.318 23.831 ( 0.000 -0.816 4.630) 4.701 24.277 ( 0.000 -5.629 -13.059) 14.221 25.030 ( 0.000 -9.626 13.808) 16.832 25.492 ( 0.000 -15.952 -2.756) 16.188 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 15.105 15.698 15.972) 27.013 1.078 ( 17.670 14.038 17.738) 28.704 1.923 ( -0.661 5.270 -20.706) 21.377 1.978 ( 17.057 31.362 33.125) 48.701 2.128 ( 1.755 4.587 -15.873) 16.615 2.276 ( -7.208 5.994 5.149) 10.696 2.418 ( -3.824 3.533 0.019) 5.206 2.507 ( -11.553 8.652 3.125) 14.767 2.780 ( -2.120 2.244 6.564) 7.253 2.847 ( -8.047 4.561 -3.369) 9.844 2.880 ( -6.377 6.817 1.182) 9.409 2.970 ( 0.675 5.373 4.119) 6.804 3.143 ( -1.320 4.413 1.338) 4.797 3.311 ( 3.835 6.025 -0.485) 7.159 3.333 ( 5.525 6.287 -3.674) 9.141 3.368 ( 4.219 4.828 2.363) 6.834 3.524 ( 1.662 4.329 -2.625) 5.329 3.649 ( 2.112 4.413 4.520) 6.661 3.772 ( 6.594 2.137 -9.703) 11.924 4.008 ( -7.426 -3.052 -0.382) 8.038 4.293 ( 1.827 2.429 3.068) 4.319 4.510 ( -9.122 1.209 3.564) 9.868 4.822 ( 3.512 -1.150 -4.764) 6.030 5.018 ( -2.588 0.294 -5.045) 5.678 5.213 ( 2.267 25.583 1.766) 25.744 5.334 ( 3.206 27.669 -3.278) 28.047 5.413 ( -0.252 26.265 1.229) 26.294 5.488 ( -1.744 27.841 -1.539) 27.938 5.734 ( 2.591 3.603 0.904) 4.529 5.919 ( 6.535 -0.315 -5.604) 8.614 6.232 ( -6.337 -1.301 7.985) 10.277 6.372 ( -4.597 -2.070 -0.165) 5.045 6.982 ( 7.173 -0.803 1.784) 7.435 7.156 ( 4.771 -5.344 -2.804) 7.693 7.270 ( 2.582 1.764 1.428) 3.438 7.363 ( 9.024 -3.858 -2.381) 10.099 7.503 ( 7.755 0.661 -1.155) 7.868 7.730 ( 6.573 -6.035 -11.607) 14.640 7.801 ( 1.676 2.106 8.950) 9.346 7.968 ( -8.785 -1.195 2.195) 9.134 8.234 ( 0.367 2.826 -1.282) 3.124 8.295 ( -7.309 -1.212 -2.230) 7.737 8.454 ( 4.085 13.123 -5.651) 14.861 8.653 ( 7.060 16.840 -13.255) 22.563 8.984 ( 2.494 -5.100 5.680) 8.031 9.053 ( 4.799 11.972 4.073) 13.526 9.182 ( -0.717 -3.846 -2.099) 4.440 9.228 ( 3.491 3.418 -2.933) 5.699 9.274 ( -1.766 2.816 7.729) 8.413 9.535 ( -2.726 2.187 3.517) 4.958 9.740 ( -10.761 5.776 -0.832) 12.241 9.850 ( -7.543 9.939 -3.186) 12.878 9.941 ( 4.058 4.310 5.659) 8.189 10.115 ( -5.587 9.199 -1.671) 10.891 10.698 ( 0.382 -7.414 8.932) 11.615 10.794 ( -0.841 -5.079 2.150) 5.579 10.961 ( -2.732 0.121 -7.191) 7.694 11.100 ( -15.094 10.672 -14.687) 23.610 11.362 ( -10.611 9.711 -6.220) 15.671 11.371 ( -7.656 16.641 -10.295) 21.012 11.565 ( 5.016 5.909 0.323) 7.758 11.839 ( -3.369 2.395 -1.129) 4.285 11.985 ( 9.990 10.299 10.508) 17.784 12.232 ( 6.532 3.099 5.870) 9.313 12.628 ( 14.778 2.552 -14.675) 20.982 12.834 ( 0.149 -25.643 10.943) 27.880 12.881 ( -1.807 -21.656 8.416) 23.304 13.062 ( -1.004 -19.678 -10.331) 22.247 13.345 ( -0.737 -6.468 -13.011) 14.549 13.450 ( -4.505 -8.890 -4.114) 10.782 13.629 ( 5.798 -6.481 -9.665) 13.001 13.932 ( -3.613 0.616 -12.119) 12.661 14.279 ( 5.197 4.318 4.338) 8.030 14.514 ( 6.480 8.757 -4.431) 11.760 14.935 ( -7.946 16.778 13.088) 22.714 15.236 ( 0.655 7.007 3.791) 7.993 15.352 ( -5.614 13.486 -3.036) 14.920 15.403 ( -0.239 14.678 -1.978) 14.813 15.595 ( 1.489 3.525 13.900) 14.417 16.055 ( -10.062 -2.782 -4.225) 11.262 17.415 ( 1.462 -3.735 16.137) 16.628 17.694 ( -7.132 -26.873 16.450) 32.306 17.957 ( 2.485 -31.949 -3.225) 32.208 18.050 ( -0.874 -33.156 -2.826) 33.287 18.287 ( 2.651 -9.422 9.760) 13.822 18.836 ( -16.920 18.132 5.896) 25.492 20.015 ( -7.467 7.362 2.863) 10.870 20.289 ( 2.740 9.852 1.264) 10.304 20.831 ( -21.101 30.109 6.537) 37.343 20.980 ( -10.906 16.851 5.524) 20.819 21.098 ( -5.682 12.759 -4.902) 14.802 21.345 ( -15.118 8.651 -4.170) 17.911 23.980 ( 14.038 -4.451 6.935) 16.278 24.547 ( 5.000 -9.104 -14.933) 18.190 25.312 ( 23.115 -17.918 -0.228) 29.248 25.577 ( 7.480 -18.188 -3.738) 20.018 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 20.519 12.789 7.069) 25.190 1.479 ( 21.466 7.448 12.228) 25.803 1.781 ( -16.305 8.194 -3.879) 18.656 1.886 ( -17.691 5.844 4.626) 19.197 2.209 ( 3.516 12.259 -0.840) 12.781 2.291 ( -3.790 8.067 -0.560) 8.930 2.439 ( 4.548 1.999 -13.397) 14.289 2.506 ( 11.809 6.448 4.215) 14.099 2.683 ( 0.231 5.962 4.825) 7.673 2.745 ( -4.162 5.551 6.033) 9.194 2.815 ( 5.282 9.526 4.121) 11.646 3.036 ( 3.717 6.536 7.500) 10.620 3.063 ( -4.979 5.148 5.149) 8.821 3.313 ( -17.972 10.179 7.060) 21.828 3.426 ( 3.323 5.659 0.812) 6.612 3.439 ( 5.597 5.597 -2.570) 8.322 3.456 ( -2.051 7.675 -0.298) 7.950 3.562 ( -7.184 0.905 -3.951) 8.248 3.875 ( 6.710 1.626 -8.400) 10.873 3.953 ( 0.266 1.090 -0.206) 1.141 4.368 ( 3.130 -0.895 -1.293) 3.503 4.406 ( -2.234 -0.867 2.463) 3.436 4.885 ( 3.339 -0.199 -4.363) 5.498 4.955 ( -3.550 -0.649 -3.920) 5.328 5.275 ( 3.938 27.020 1.264) 27.335 5.348 ( -2.608 27.585 0.172) 27.709 5.412 ( 0.837 30.775 -2.022) 30.852 5.443 ( -2.319 30.250 -1.622) 30.382 5.826 ( 6.445 0.650 0.744) 6.520 5.951 ( -4.576 -0.365 -3.192) 5.591 6.186 ( 2.895 -1.049 4.264) 5.260 6.274 ( -5.087 -2.422 1.115) 5.743 7.114 ( 5.407 -2.338 -0.583) 5.920 7.179 ( -1.310 -3.196 -2.178) 4.084 7.337 ( 3.628 0.283 2.310) 4.311 7.416 ( -3.309 -1.777 -0.536) 3.794 7.731 ( 13.380 0.150 -1.022) 13.419 7.843 ( 3.262 -7.260 -1.783) 8.157 7.851 ( 0.945 -2.390 3.266) 4.156 7.933 ( 4.160 -2.565 -2.712) 5.589 8.104 ( -8.280 -0.001 -1.771) 8.468 8.173 ( -7.129 -1.740 -1.154) 7.428 8.613 ( 12.256 18.479 -1.762) 22.244 8.767 ( 1.345 18.262 -5.457) 19.108 9.033 ( 2.398 -6.767 2.096) 7.479 9.105 ( -3.243 -4.538 0.661) 5.617 9.208 ( 4.596 3.464 0.590) 5.785 9.238 ( 2.105 4.176 -0.350) 4.690 9.280 ( -1.214 0.504 -0.345) 1.359 9.437 ( -14.670 8.040 -2.741) 16.952 9.548 ( 3.732 9.798 -0.634) 10.504 9.676 ( -8.563 12.369 -2.464) 15.244 9.994 ( 2.423 14.731 -1.972) 15.059 10.058 ( -2.327 7.525 -3.998) 8.833 10.691 ( -0.067 -2.790 2.997) 4.095 10.786 ( -10.450 6.359 -4.360) 12.987 10.860 ( 8.060 -2.823 4.833) 9.812 10.983 ( -1.270 -6.174 -7.559) 9.842 11.194 ( -6.878 8.623 -1.768) 11.170 11.204 ( -5.990 6.638 -5.789) 10.652 11.671 ( 5.378 4.397 0.709) 6.983 11.767 ( -4.296 2.804 0.270) 5.138 12.195 ( 10.111 11.168 12.498) 19.574 12.315 ( -0.711 6.375 9.710) 11.638 12.790 ( 2.412 -14.742 -1.862) 15.053 12.822 ( -1.600 -21.228 6.050) 22.131 12.917 ( 6.118 -17.056 -2.536) 18.296 13.020 ( -3.669 -17.227 -8.944) 19.754 13.332 ( -0.159 -8.152 -3.565) 8.899 13.363 ( -3.578 -10.425 -3.029) 11.430 13.746 ( 5.885 -4.866 -12.902) 14.992 13.849 ( -4.746 -2.709 -13.153) 14.243 14.395 ( 6.228 9.310 5.002) 12.268 14.519 ( -5.993 14.579 6.393) 17.010 14.957 ( 10.929 11.266 -1.881) 15.808 15.175 ( -8.723 15.537 -4.645) 18.414 15.323 ( 3.440 6.554 3.518) 8.195 15.393 ( -2.156 10.340 1.662) 10.692 15.649 ( 4.928 1.919 11.330) 12.503 15.817 ( -12.193 -1.118 3.892) 12.847 17.461 ( 3.462 -6.627 18.182) 19.659 17.556 ( -6.284 -13.983 19.921) 25.136 17.998 ( 1.785 -32.624 -2.567) 32.773 18.028 ( -1.335 -32.725 -2.449) 32.844 18.366 ( 5.730 -4.797 11.639) 13.832 18.530 ( -11.983 5.447 15.562) 20.383 20.035 ( 8.707 10.774 -12.989) 18.990 20.249 ( -9.072 11.561 -11.377) 18.585 20.621 ( -0.246 25.939 6.613) 26.769 20.743 ( -11.219 18.299 2.694) 21.633 21.058 ( 0.902 15.297 -2.713) 15.562 21.129 ( -6.810 13.846 -4.175) 15.985 24.267 ( 13.832 -6.202 3.904) 15.654 24.486 ( -8.259 -7.126 -3.172) 11.360 25.627 ( 9.087 -17.261 -4.734) 20.073 25.693 ( 2.130 -19.563 -5.277) 20.374 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.000 28.866 3.382) 29.063 1.376 ( 0.000 27.039 11.154) 29.249 2.099 ( 0.000 6.825 -18.898) 20.093 2.162 ( 0.000 14.243 -18.743) 23.541 2.519 ( 0.000 5.868 -0.742) 5.915 2.534 ( 0.000 20.518 11.138) 23.346 2.590 ( 0.000 27.356 17.750) 32.609 2.891 ( 0.000 7.927 8.095) 11.330 2.960 ( 0.000 5.632 9.424) 10.978 2.975 ( 0.000 11.965 2.880) 12.307 3.101 ( 0.000 3.306 1.303) 3.554 3.120 ( 0.000 6.549 -3.036) 7.219 3.233 ( 0.000 10.516 -4.750) 11.539 3.263 ( 0.000 0.693 9.297) 9.323 3.400 ( 0.000 7.846 0.770) 7.884 3.562 ( 0.000 8.794 -4.681) 9.962 3.619 ( 0.000 10.013 -0.578) 10.030 3.793 ( 0.000 10.729 3.775) 11.374 3.815 ( 0.000 10.713 -10.603) 15.073 4.045 ( 0.000 4.865 2.267) 5.368 4.363 ( 0.000 5.285 1.624) 5.529 4.680 ( 0.000 2.242 3.775) 4.390 4.778 ( 0.000 2.602 -9.336) 9.692 5.035 ( 0.000 -0.869 -4.873) 4.949 5.605 ( 0.000 12.351 -2.341) 12.571 5.695 ( 0.000 7.510 -4.620) 8.817 5.876 ( 0.000 12.699 4.997) 13.646 5.914 ( 0.000 5.518 3.724) 6.657 6.075 ( 0.000 35.819 0.812) 35.828 6.145 ( 0.000 34.743 -1.427) 34.772 6.381 ( 0.000 15.443 2.700) 15.677 6.509 ( 0.000 14.684 -2.807) 14.950 6.918 ( 0.000 1.575 1.626) 2.263 7.047 ( 0.000 0.683 -2.205) 2.308 7.264 ( 0.000 0.601 0.628) 0.869 7.369 ( 0.000 8.980 -2.790) 9.404 7.488 ( 0.000 7.029 -6.424) 9.522 7.555 ( 0.000 -5.218 -11.547) 12.672 7.918 ( 0.000 9.281 9.418) 13.222 8.116 ( 0.000 2.203 3.493) 4.130 8.172 ( 0.000 -2.403 -0.200) 2.411 8.350 ( 0.000 2.248 -3.596) 4.241 8.730 ( 0.000 17.315 -6.567) 18.518 8.818 ( 0.000 -7.439 10.293) 12.700 8.864 ( 0.000 11.608 -10.385) 15.576 9.052 ( 0.000 -0.543 -2.097) 2.167 9.294 ( 0.000 11.932 2.507) 12.192 9.326 ( 0.000 10.475 1.573) 10.592 9.496 ( 0.000 11.737 9.559) 15.137 9.616 ( 0.000 5.491 6.244) 8.315 9.910 ( 0.000 1.417 1.154) 1.827 10.045 ( 0.000 14.006 -4.169) 14.614 10.195 ( 0.000 13.368 3.589) 13.842 10.335 ( 0.000 5.745 0.480) 5.765 10.623 ( 0.000 0.867 -3.195) 3.311 10.711 ( 0.000 1.291 -5.732) 5.876 11.063 ( 0.000 3.301 6.350) 7.157 11.318 ( 0.000 -3.320 -2.408) 4.102 11.335 ( 0.000 -7.743 -2.895) 8.267 11.683 ( 0.000 8.455 5.149) 9.899 11.854 ( 0.000 2.801 -18.623) 18.832 11.951 ( 0.000 3.059 15.885) 16.176 12.074 ( 0.000 6.086 -8.665) 10.589 12.119 ( 0.000 -11.114 15.935) 19.428 12.319 ( 0.000 -13.461 -2.524) 13.696 12.341 ( 0.000 -18.135 4.348) 18.649 12.522 ( 0.000 -29.545 -1.299) 29.574 12.540 ( 0.000 -12.557 5.515) 13.714 13.253 ( 0.000 -6.689 -30.080) 30.815 13.482 ( 0.000 10.497 -32.358) 34.018 13.555 ( 0.000 -1.136 4.671) 4.807 13.958 ( 0.000 -3.990 -9.379) 10.192 14.271 ( 0.000 4.153 -0.617) 4.198 14.545 ( 0.000 6.287 -7.015) 9.420 15.199 ( 0.000 -4.053 6.999) 8.088 15.429 ( 0.000 17.909 6.934) 19.205 15.592 ( 0.000 10.541 -2.954) 10.947 15.643 ( 0.000 3.852 15.948) 16.406 15.820 ( 0.000 9.002 -2.903) 9.458 16.079 ( 0.000 -4.464 -4.047) 6.025 17.260 ( 0.000 -7.772 -1.773) 7.972 17.385 ( 0.000 -8.042 -2.120) 8.316 17.398 ( 0.000 -24.214 -2.400) 24.333 17.415 ( 0.000 -28.893 -2.560) 29.007 18.051 ( 0.000 -8.749 25.397) 26.861 19.298 ( 0.000 7.514 -21.371) 22.653 19.878 ( 0.000 -25.880 29.746) 39.429 20.345 ( 0.000 -2.968 2.404) 3.819 21.452 ( 0.000 25.695 0.870) 25.710 21.515 ( 0.000 21.525 -1.813) 21.601 21.606 ( 0.000 13.870 1.964) 14.008 21.686 ( 0.000 8.924 -1.716) 9.088 23.842 ( 0.000 1.709 1.368) 2.189 24.144 ( 0.000 -7.207 -10.518) 12.750 24.774 ( 0.000 -15.872 11.232) 19.444 25.133 ( 0.000 -20.474 -2.771) 20.661 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.478 23.347 8.450) 26.577 1.494 ( 9.843 25.281 5.929) 27.770 2.076 ( -1.612 10.494 -15.522) 18.806 2.252 ( 5.924 9.421 -17.636) 20.854 2.425 ( -9.824 12.236 1.918) 15.809 2.507 ( -1.717 6.554 -1.595) 6.960 2.661 ( -8.257 14.074 10.266) 19.278 2.696 ( 1.664 25.683 17.317) 31.020 2.863 ( -4.784 5.593 4.782) 8.777 2.955 ( -5.265 8.174 -0.308) 9.728 3.082 ( 1.323 9.883 7.397) 12.415 3.121 ( -3.334 11.298 0.979) 11.820 3.230 ( 2.207 4.819 -0.154) 5.303 3.387 ( 6.260 4.315 1.172) 7.693 3.500 ( 5.659 7.733 -1.243) 9.663 3.535 ( 3.677 10.389 1.290) 11.096 3.667 ( 0.010 9.338 -2.555) 9.681 3.764 ( -1.546 7.328 4.226) 8.600 3.889 ( 4.601 9.303 -7.886) 13.035 4.034 ( -1.049 6.634 5.056) 8.407 4.377 ( 1.576 5.859 -0.975) 6.145 4.578 ( -7.986 5.910 1.261) 10.015 4.822 ( 3.361 1.109 -6.097) 7.050 5.009 ( -2.356 -0.570 -5.377) 5.898 5.655 ( 4.562 12.073 -0.984) 12.944 5.731 ( 3.548 6.673 -3.029) 8.142 5.917 ( 3.121 11.171 2.092) 11.786 5.951 ( 3.320 5.195 0.655) 6.200 6.063 ( -0.591 35.601 1.789) 35.651 6.150 ( 0.300 36.109 -1.704) 36.150 6.332 ( -4.733 15.601 2.984) 16.574 6.449 ( -5.815 16.489 -1.863) 17.583 6.982 ( 5.804 1.009 1.724) 6.138 7.096 ( 3.894 -0.412 -1.076) 4.061 7.307 ( 3.897 -1.469 0.011) 4.165 7.371 ( 0.925 7.595 -1.575) 7.812 7.569 ( 7.487 5.160 -5.983) 10.885 7.619 ( 5.978 -4.365 -10.052) 12.483 7.906 ( -0.411 8.425 6.216) 10.478 7.998 ( -7.554 5.067 1.480) 9.216 8.191 ( -1.527 -3.783 1.598) 4.381 8.315 ( -4.414 3.386 -3.895) 6.791 8.767 ( 4.462 16.076 -4.026) 17.162 8.847 ( 2.477 -5.822 7.038) 9.464 8.927 ( 5.097 8.559 -7.181) 12.280 9.050 ( 0.356 0.537 -2.066) 2.164 9.301 ( -0.318 8.131 3.369) 8.807 9.336 ( -0.697 7.150 3.152) 7.845 9.454 ( -0.469 14.606 4.191) 15.202 9.658 ( 3.758 9.983 5.173) 11.855 9.847 ( -6.913 5.907 -0.959) 9.144 10.013 ( -4.275 8.604 -2.754) 9.994 10.211 ( 2.399 14.737 1.641) 15.021 10.380 ( 2.852 13.821 1.011) 14.149 10.555 ( -4.343 -4.298 -0.297) 6.117 10.707 ( 0.321 -0.277 -4.391) 4.412 10.996 ( -6.171 3.651 4.570) 8.502 11.144 ( -10.621 -0.045 -6.412) 12.407 11.355 ( -3.129 -5.850 -0.271) 6.640 11.638 ( -3.993 1.429 -4.389) 6.103 11.767 ( -7.510 11.453 -2.918) 14.003 11.899 ( -6.502 1.040 5.361) 8.491 12.111 ( 9.925 -6.704 9.158) 15.077 12.237 ( 5.303 -0.325 -2.480) 5.863 12.304 ( 0.560 -23.575 6.588) 24.485 12.438 ( 5.627 -18.756 0.303) 19.585 12.488 ( -1.828 -19.006 2.492) 19.256 12.563 ( 2.022 -15.956 3.524) 16.465 13.263 ( 0.924 -4.071 -23.694) 24.059 13.466 ( -2.512 9.294 -25.681) 27.426 13.578 ( 3.074 -2.212 -4.298) 5.729 13.904 ( -5.188 -3.233 -11.853) 13.337 14.354 ( 7.844 4.058 1.186) 8.910 14.671 ( 10.945 7.113 -6.988) 14.806 15.111 ( -8.051 0.335 7.230) 10.826 15.449 ( 2.044 14.172 7.176) 16.016 15.544 ( -4.291 9.840 -0.592) 10.752 15.662 ( 1.463 4.230 11.994) 12.802 15.762 ( -4.558 11.057 0.443) 11.968 15.994 ( -8.263 -2.797 -1.377) 8.832 17.261 ( 0.318 -10.065 -1.088) 10.129 17.357 ( -2.115 -13.494 -1.306) 13.721 17.409 ( 0.883 -22.740 -2.591) 22.904 17.428 ( 0.677 -23.006 -3.181) 23.235 18.098 ( 4.915 -8.255 25.975) 27.695 19.018 ( -24.793 0.327 12.200) 27.634 19.887 ( 3.369 -13.492 1.033) 13.944 20.345 ( -1.717 -6.307 -1.195) 6.645 21.369 ( -12.144 22.337 2.190) 25.519 21.409 ( -6.590 25.827 2.332) 26.756 21.491 ( -3.073 24.419 -2.057) 24.698 21.621 ( -6.573 16.310 -4.611) 18.179 23.901 ( 8.858 -2.907 5.220) 10.684 24.335 ( 6.291 -11.543 -12.139) 17.893 24.910 ( 14.585 -21.177 7.317) 26.734 25.189 ( 4.707 -21.599 -2.861) 22.291 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 16.466 13.811 8.643) 23.164 1.730 ( 14.531 21.064 1.762) 25.650 1.971 ( -10.284 10.891 -4.131) 15.539 2.090 ( -18.268 14.368 3.724) 23.537 2.424 ( 1.239 6.605 -6.066) 9.053 2.459 ( -0.268 12.607 -2.694) 12.894 2.508 ( 2.844 5.853 -11.918) 13.579 2.675 ( -8.810 8.020 -6.292) 13.472 2.862 ( 2.032 12.550 10.212) 16.307 2.898 ( -2.626 10.754 4.138) 11.818 3.077 ( 4.407 12.444 8.538) 15.721 3.168 ( -2.711 7.316 5.938) 9.804 3.278 ( 12.439 16.894 3.267) 21.233 3.501 ( 4.399 6.926 1.823) 8.405 3.583 ( -2.712 12.647 5.841) 14.192 3.602 ( -1.133 6.821 -1.821) 7.150 3.620 ( -2.158 8.450 1.722) 8.890 3.644 ( -6.147 9.791 0.592) 11.576 3.968 ( 4.314 7.288 -0.239) 8.473 4.027 ( -0.757 6.610 3.120) 7.348 4.415 ( 1.742 5.495 -3.714) 6.858 4.454 ( -3.619 6.502 -1.509) 7.593 4.892 ( 3.542 0.857 -5.374) 6.493 4.955 ( -3.017 0.447 -5.454) 6.249 5.750 ( 4.797 11.059 0.700) 12.074 5.807 ( 1.285 2.377 -0.384) 2.729 5.946 ( 2.086 19.745 -2.903) 20.066 6.004 ( -0.307 5.602 -3.880) 6.822 6.091 ( 3.561 30.613 2.318) 30.906 6.155 ( -0.453 37.700 -1.153) 37.720 6.233 ( -2.598 14.418 3.950) 15.173 6.311 ( -7.327 17.922 0.295) 19.364 7.096 ( 4.771 0.913 1.484) 5.079 7.143 ( 0.111 0.410 0.720) 0.836 7.377 ( 2.730 1.036 -0.592) 2.979 7.400 ( 0.831 1.705 -0.433) 1.945 7.734 ( 6.338 0.937 -4.530) 7.846 7.752 ( 6.673 -2.644 -5.577) 9.090 7.886 ( -1.321 5.080 0.121) 5.250 7.928 ( 0.863 2.762 -0.393) 2.920 8.115 ( -4.215 1.143 0.837) 4.447 8.175 ( -8.460 5.820 -1.412) 10.365 8.886 ( 3.755 -0.257 1.335) 3.994 8.903 ( 2.929 -2.914 -0.053) 4.132 9.005 ( 6.355 10.028 0.901) 11.907 9.120 ( 5.335 9.108 -3.906) 11.255 9.222 ( -7.437 4.415 2.855) 9.107 9.270 ( -5.190 2.727 1.038) 5.954 9.521 ( 5.711 15.982 1.423) 17.032 9.666 ( -9.426 13.789 -1.690) 16.788 9.773 ( 7.292 13.703 2.181) 15.675 9.906 ( -6.115 11.702 -0.401) 13.210 10.271 ( 2.888 11.613 -0.779) 11.992 10.339 ( -4.568 14.001 -2.071) 14.873 10.567 ( 4.834 -6.318 3.331) 8.624 10.702 ( -4.977 -3.839 -3.665) 7.276 10.918 ( 1.695 5.474 -0.907) 5.802 10.987 ( -4.442 3.607 -7.499) 9.433 11.285 ( -0.718 1.087 0.993) 1.638 11.422 ( -13.553 6.047 -2.226) 15.007 11.744 ( 3.475 2.485 3.831) 5.738 11.820 ( -3.737 0.720 1.342) 4.035 12.254 ( 4.257 -15.125 4.413) 16.321 12.289 ( 0.193 -13.284 1.926) 13.424 12.347 ( 3.388 -19.507 4.135) 20.226 12.413 ( -3.363 -23.266 3.533) 23.771 12.573 ( 4.906 -10.033 3.590) 11.731 12.607 ( 1.389 -9.996 4.887) 11.213 13.295 ( 2.869 2.398 -16.661) 17.075 13.383 ( -5.425 7.893 -19.137) 21.400 13.667 ( 5.605 -3.811 -11.597) 13.433 13.785 ( -6.365 -3.753 -13.349) 15.257 14.539 ( 10.632 5.749 3.425) 12.563 14.744 ( -8.341 7.869 3.911) 12.116 15.110 ( 13.145 4.464 -7.324) 15.696 15.387 ( -11.220 6.409 -9.718) 16.168 15.530 ( 4.632 12.115 11.654) 17.437 15.645 ( -6.030 6.893 11.208) 14.474 15.719 ( 2.860 8.258 6.118) 10.668 15.817 ( -7.635 2.244 5.938) 9.929 17.278 ( 1.442 -12.954 -0.430) 13.041 17.314 ( -2.181 -14.163 -0.562) 14.341 17.425 ( 0.713 -21.326 -2.940) 21.540 17.434 ( -0.113 -21.232 -3.287) 21.485 18.249 ( 11.023 -6.566 27.956) 30.760 18.549 ( -20.346 -3.632 28.871) 35.506 20.025 ( 10.103 -8.040 -14.596) 19.487 20.233 ( -9.618 -9.129 -11.249) 17.390 21.213 ( -2.587 29.046 3.776) 29.405 21.259 ( -6.356 28.954 3.430) 29.842 21.474 ( 0.552 24.387 -2.829) 24.557 21.514 ( -3.761 22.632 -3.891) 23.270 24.119 ( 11.573 -8.105 3.502) 14.556 24.305 ( -6.842 -10.653 -2.732) 12.953 25.182 ( 9.678 -25.460 -1.081) 27.258 25.259 ( 1.008 -23.999 -2.676) 24.169 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 26.597 -2.023) 26.674 1.901 ( 0.000 26.260 5.950) 26.926 2.312 ( 0.000 14.006 -14.002) 19.805 2.445 ( 0.000 13.675 -13.145) 18.968 2.662 ( 0.000 8.496 -0.070) 8.497 2.744 ( 0.000 10.468 -3.436) 11.017 3.052 ( 0.000 8.230 8.851) 12.086 3.078 ( 0.000 6.290 9.087) 11.051 3.081 ( 0.000 2.283 8.916) 9.204 3.161 ( 0.000 7.558 2.851) 8.078 3.252 ( 0.000 6.980 -2.397) 7.380 3.331 ( 0.000 32.031 16.173) 35.883 3.388 ( 0.000 4.580 -3.163) 5.566 3.399 ( 0.000 10.150 2.683) 10.499 3.578 ( 0.000 10.870 3.482) 11.414 3.630 ( 0.000 -0.715 -8.187) 8.218 3.835 ( 0.000 12.085 -0.571) 12.099 3.998 ( 0.000 9.698 4.081) 10.522 4.040 ( 0.000 10.491 -2.140) 10.707 4.258 ( 0.000 14.408 10.625) 17.902 4.493 ( 0.000 8.408 -6.886) 10.868 4.779 ( 0.000 8.136 -1.470) 8.267 4.839 ( 0.000 3.061 -9.101) 9.602 5.027 ( 0.000 0.422 -4.289) 4.309 5.742 ( 0.000 -0.149 -2.522) 2.527 5.750 ( 0.000 5.004 -4.481) 6.717 5.898 ( 0.000 -3.946 3.422) 5.223 5.975 ( 0.000 0.418 1.296) 1.362 6.686 ( 0.000 16.816 0.360) 16.820 6.731 ( 0.000 24.617 -1.443) 24.660 6.817 ( 0.000 19.123 0.787) 19.140 6.849 ( 0.000 13.534 -0.291) 13.538 7.005 ( 0.000 12.456 3.085) 12.833 7.116 ( 0.000 7.346 -1.495) 7.497 7.319 ( 0.000 6.303 2.056) 6.629 7.473 ( 0.000 -1.791 -5.237) 5.535 7.636 ( 0.000 17.129 -8.035) 18.920 7.691 ( 0.000 13.892 -9.862) 17.037 8.128 ( 0.000 -1.957 7.849) 8.089 8.149 ( 0.000 13.967 6.714) 15.497 8.225 ( 0.000 8.727 2.491) 9.076 8.438 ( 0.000 6.961 -3.963) 8.010 8.747 ( 0.000 2.296 9.773) 10.039 8.953 ( 0.000 2.796 -2.572) 3.799 9.071 ( 0.000 16.633 -5.178) 17.420 9.255 ( 0.000 16.622 -7.363) 18.180 9.560 ( 0.000 16.206 3.275) 16.533 9.599 ( 0.000 16.622 3.070) 16.903 9.721 ( 0.000 9.898 6.540) 11.864 9.760 ( 0.000 8.784 3.859) 9.595 9.992 ( 0.000 8.196 4.737) 9.466 10.154 ( 0.000 1.284 4.227) 4.417 10.363 ( 0.000 0.167 6.033) 6.035 10.532 ( 0.000 18.648 -7.648) 20.155 10.714 ( 0.000 5.200 -11.055) 12.217 10.819 ( 0.000 3.256 -10.346) 10.847 11.016 ( 0.000 -19.546 3.776) 19.907 11.123 ( 0.000 -2.469 -0.361) 2.496 11.211 ( 0.000 -10.371 -1.878) 10.539 11.480 ( 0.000 -29.910 -10.036) 31.548 11.685 ( 0.000 -13.198 8.283) 15.582 11.828 ( 0.000 0.619 17.588) 17.599 11.864 ( 0.000 -24.745 -0.384) 24.748 12.151 ( 0.000 8.516 -0.697) 8.545 12.156 ( 0.000 7.070 15.021) 16.602 12.262 ( 0.000 8.949 -0.498) 8.963 12.429 ( 0.000 0.789 9.674) 9.706 12.458 ( 0.000 7.190 -3.850) 8.156 13.111 ( 0.000 -7.846 -27.413) 28.514 13.509 ( 0.000 -2.960 4.182) 5.123 13.653 ( 0.000 5.373 -22.100) 22.744 13.835 ( 0.000 -7.987 -2.998) 8.532 14.409 ( 0.000 9.939 -11.703) 15.354 14.659 ( 0.000 4.827 -8.764) 10.006 15.099 ( 0.000 -5.503 6.040) 8.171 15.629 ( 0.000 2.630 -9.532) 9.888 15.655 ( 0.000 -4.124 14.068) 14.660 15.785 ( 0.000 6.776 1.561) 6.953 15.844 ( 0.000 -3.109 0.529) 3.154 15.990 ( 0.000 -4.816 -0.444) 4.836 16.961 ( 0.000 -14.363 1.350) 14.427 17.058 ( 0.000 -11.192 3.038) 11.597 17.190 ( 0.000 -7.878 -1.809) 8.083 17.303 ( 0.000 5.554 -15.852) 16.797 17.980 ( 0.000 1.771 26.275) 26.334 19.337 ( 0.000 -2.531 -24.337) 24.468 19.346 ( 0.000 -26.766 35.619) 44.555 20.146 ( 0.000 -15.084 -0.549) 15.094 21.803 ( 0.000 4.499 -0.569) 4.535 21.812 ( 0.000 9.809 -0.689) 9.833 21.941 ( 0.000 21.213 0.657) 21.224 21.970 ( 0.000 18.584 -0.442) 18.589 23.884 ( 0.000 2.230 0.046) 2.231 24.024 ( 0.000 -4.632 -6.299) 7.819 24.442 ( 0.000 -17.251 8.131) 19.071 24.711 ( 0.000 -22.116 -2.757) 22.288 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.300 23.866 4.330) 24.364 1.991 ( 6.486 24.532 0.760) 25.386 2.319 ( -1.468 13.576 -10.101) 16.985 2.460 ( 2.518 11.132 -13.410) 17.610 2.644 ( -4.566 8.496 -0.515) 9.659 2.679 ( -5.208 12.099 -1.327) 13.239 2.804 ( -10.905 7.268 5.542) 14.229 2.982 ( -7.117 7.191 3.082) 10.576 3.115 ( -1.880 11.053 2.573) 11.503 3.183 ( 0.935 8.954 6.083) 10.865 3.293 ( -4.561 8.915 2.540) 10.331 3.333 ( 1.498 11.151 -0.892) 11.286 3.421 ( 7.248 13.630 5.933) 16.539 3.487 ( 7.758 10.200 4.229) 13.495 3.632 ( 3.829 7.392 -2.503) 8.693 3.725 ( 9.534 9.109 3.855) 13.738 3.866 ( 0.195 11.125 -0.600) 11.143 3.932 ( -4.402 8.709 6.346) 11.640 4.070 ( 1.842 7.867 -0.613) 8.103 4.245 ( -1.419 13.261 10.699) 17.098 4.519 ( 2.322 8.871 -7.511) 11.853 4.739 ( -4.016 10.303 -2.611) 11.362 4.867 ( 2.485 3.222 -7.871) 8.861 5.006 ( -1.677 0.718 -5.155) 5.469 5.757 ( 1.504 -0.371 -2.089) 2.600 5.780 ( 2.428 2.595 -3.389) 4.911 5.922 ( 2.259 -3.942 2.100) 5.005 5.984 ( 0.742 -1.006 0.424) 1.320 6.692 ( -1.651 21.713 1.030) 21.800 6.710 ( -2.170 18.415 -0.396) 18.547 6.807 ( 2.586 23.580 2.036) 23.809 6.892 ( 2.032 20.302 -1.282) 20.444 7.046 ( 4.340 7.734 1.811) 9.051 7.142 ( 2.682 6.546 -1.300) 7.193 7.318 ( 0.336 4.725 2.233) 5.237 7.542 ( 6.131 -1.582 -5.445) 8.351 7.595 ( -3.489 14.519 -5.933) 16.068 7.747 ( 4.864 12.125 -9.988) 16.445 8.067 ( -4.582 2.028 6.659) 8.334 8.164 ( -4.390 11.458 0.714) 12.291 8.199 ( 2.408 9.908 7.449) 12.628 8.449 ( 0.661 11.125 -4.107) 11.877 8.787 ( 3.347 1.725 8.309) 9.123 8.926 ( -1.751 3.260 -1.165) 3.879 9.147 ( 5.148 15.726 -3.445) 16.902 9.240 ( -0.713 14.016 -5.364) 15.024 9.470 ( -4.961 10.021 2.824) 11.533 9.533 ( -6.121 12.625 2.193) 14.200 9.762 ( 4.741 15.705 4.022) 16.891 9.879 ( 7.121 10.122 4.420) 13.141 10.000 ( 0.604 10.416 2.590) 10.750 10.134 ( -1.178 5.971 2.783) 6.692 10.391 ( 2.333 0.511 5.828) 6.298 10.497 ( -4.626 10.354 -7.375) 13.528 10.645 ( -5.513 6.221 -6.492) 10.547 10.807 ( 0.576 3.649 -6.023) 7.066 11.039 ( -1.913 -15.271 -2.857) 15.653 11.072 ( -3.534 1.253 3.288) 4.987 11.152 ( -3.535 -9.829 -3.781) 11.109 11.413 ( -5.277 -29.506 -9.082) 31.319 11.684 ( -0.693 -13.579 5.737) 14.757 11.763 ( -4.839 -2.274 11.054) 12.279 11.869 ( 0.161 -23.175 1.244) 23.209 12.077 ( -7.409 3.081 9.786) 12.655 12.202 ( 2.492 10.315 1.492) 10.716 12.249 ( -0.965 6.213 4.730) 7.868 12.408 ( 3.081 1.144 4.720) 5.751 12.555 ( 4.955 3.985 2.543) 6.848 13.181 ( 6.477 -4.710 -23.014) 24.367 13.480 ( -2.022 -4.266 0.113) 4.722 13.653 ( -0.018 5.271 -20.105) 20.784 13.818 ( -2.669 -5.178 -7.384) 9.405 14.471 ( 6.621 8.382 -7.684) 13.158 14.785 ( 10.741 4.336 -7.889) 14.014 15.064 ( -2.970 -3.606 4.112) 6.224 15.602 ( -3.597 1.231 -11.623) 12.229 15.649 ( -0.460 -3.266 13.761) 14.151 15.740 ( -3.939 3.766 4.482) 7.056 15.840 ( -0.136 -0.067 0.689) 0.706 15.957 ( -3.062 -2.213 0.577) 3.821 16.961 ( 0.068 -13.649 1.751) 13.761 17.037 ( -1.970 -10.327 2.570) 10.823 17.205 ( 1.405 -7.236 -3.166) 8.023 17.299 ( -0.538 3.329 -14.365) 14.755 18.019 ( 4.152 0.737 27.779) 28.098 18.889 ( -25.765 -11.547 25.739) 38.205 19.615 ( 10.660 -13.473 -11.630) 20.747 20.112 ( -3.993 -15.667 -4.298) 16.729 21.716 ( -4.032 12.722 1.619) 13.444 21.852 ( -0.522 9.384 -2.979) 9.859 21.889 ( -4.036 20.823 1.203) 21.245 21.951 ( -1.378 19.111 -0.739) 19.175 23.874 ( 2.679 -0.040 2.904) 3.951 24.128 ( 3.336 -9.188 -7.436) 12.282 24.518 ( 8.701 -18.518 6.667) 21.519 24.751 ( 3.209 -22.556 -2.705) 22.943 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 8.561 16.748 5.973) 19.735 2.147 ( 7.897 20.258 -0.650) 21.752 2.197 ( -8.069 12.042 1.145) 14.540 2.387 ( -13.488 14.909 1.597) 20.168 2.584 ( 6.916 9.837 -9.281) 15.190 2.663 ( -0.110 9.726 -5.522) 11.184 2.711 ( -0.345 13.137 -3.172) 13.519 2.822 ( -8.871 7.830 -5.492) 13.045 3.105 ( 0.631 12.207 3.060) 12.600 3.144 ( -3.518 12.454 1.975) 13.092 3.252 ( 1.627 7.051 2.168) 7.554 3.306 ( -3.159 6.457 -1.458) 7.335 3.601 ( 9.501 7.016 2.915) 12.165 3.669 ( 9.747 14.299 9.398) 19.692 3.739 ( 4.720 7.372 1.034) 8.814 3.771 ( -7.733 8.862 1.462) 11.852 3.839 ( 0.637 11.616 1.500) 11.730 3.867 ( -3.800 13.072 9.883) 16.822 4.124 ( 4.010 7.175 4.218) 9.238 4.201 ( -3.223 10.777 8.945) 14.372 4.571 ( 2.957 9.928 -6.911) 12.453 4.644 ( -4.788 11.971 -4.367) 13.613 4.923 ( 2.974 2.681 -7.268) 8.298 4.972 ( -1.967 1.621 -6.651) 7.122 5.794 ( 1.940 -1.812 -1.159) 2.896 5.814 ( 0.391 -0.674 -2.016) 2.161 5.970 ( 2.194 -3.979 -0.048) 4.544 5.993 ( -0.115 -3.118 -0.733) 3.205 6.646 ( -1.465 20.680 1.944) 20.823 6.657 ( -2.381 19.876 1.759) 20.095 6.879 ( 3.000 31.751 -0.251) 31.894 6.909 ( -0.270 28.754 -1.592) 28.800 7.153 ( 5.334 5.521 1.715) 7.866 7.198 ( 1.374 5.748 0.763) 5.959 7.353 ( 4.295 0.200 0.261) 4.307 7.480 ( -7.104 4.813 -3.821) 9.393 7.709 ( 9.269 -0.928 -2.892) 9.754 7.833 ( 0.729 6.578 -5.359) 8.516 7.968 ( -2.465 3.758 0.587) 4.533 8.046 ( -6.537 10.746 -0.636) 12.594 8.295 ( 6.880 17.521 4.065) 19.258 8.422 ( -4.487 18.863 -1.563) 19.452 8.843 ( 2.274 0.800 4.858) 5.423 8.888 ( -2.287 1.212 1.431) 2.958 9.220 ( 4.392 10.507 1.428) 11.478 9.275 ( 2.140 9.867 -2.267) 10.348 9.404 ( -4.290 10.635 -0.025) 11.468 9.408 ( -3.787 10.970 -0.100) 11.605 9.848 ( 4.765 15.591 3.443) 16.662 9.958 ( -5.347 15.971 1.453) 16.905 10.036 ( 8.996 10.128 0.546) 13.558 10.141 ( 0.034 14.068 2.206) 14.240 10.377 ( -3.539 -2.999 -4.734) 6.628 10.410 ( -4.161 5.629 -5.640) 8.989 10.598 ( 4.789 5.620 7.636) 10.622 10.766 ( -8.310 5.301 2.115) 10.081 10.977 ( 0.347 -5.514 -4.339) 7.025 11.007 ( -2.582 -2.678 -6.272) 7.292 11.170 ( 4.690 -13.782 -4.545) 15.251 11.298 ( -6.798 -21.958 -7.364) 24.137 11.664 ( -0.743 -11.517 4.779) 12.491 11.681 ( -2.896 -6.140 6.990) 9.744 11.878 ( 1.232 -18.643 2.384) 18.835 11.937 ( -5.369 -7.138 5.073) 10.272 12.223 ( 0.227 8.466 3.668) 9.229 12.229 ( -0.677 5.525 5.436) 7.780 12.521 ( 6.250 -0.456 6.609) 9.107 12.599 ( -1.026 0.849 5.632) 5.787 13.330 ( 7.811 -1.172 -16.967) 18.715 13.440 ( -3.025 -3.774 -10.223) 11.310 13.662 ( 1.611 3.638 -14.931) 15.452 13.732 ( -5.122 -0.651 -11.743) 12.828 14.647 ( 10.546 5.929 -1.712) 12.218 14.842 ( -7.765 3.092 1.667) 8.522 15.158 ( 14.601 0.587 -9.810) 17.600 15.446 ( -12.613 -0.560 -13.443) 18.442 15.647 ( 0.455 -1.822 12.597) 12.736 15.673 ( -2.364 0.566 10.200) 10.486 15.851 ( 1.456 2.482 1.060) 3.066 15.894 ( -2.902 2.059 1.448) 3.842 16.969 ( 0.809 -11.918 2.247) 12.155 16.995 ( -1.934 -10.283 2.293) 10.711 17.240 ( 2.079 -4.946 -6.638) 8.535 17.278 ( -1.614 -1.051 -10.864) 11.034 18.153 ( 10.137 -2.134 31.564) 33.221 18.435 ( -19.304 -6.344 33.715) 39.364 19.805 ( 9.538 -13.452 -16.364) 23.232 19.986 ( -8.547 -15.102 -12.096) 21.152 21.683 ( 1.105 18.450 2.865) 18.704 21.754 ( -5.663 20.166 2.087) 21.050 21.885 ( 1.210 15.540 -2.541) 15.793 21.917 ( -1.931 17.982 -1.904) 18.185 23.979 ( 6.842 -5.755 2.478) 9.278 24.100 ( -4.818 -9.720 -1.594) 10.965 24.708 ( 8.090 -22.162 0.646) 23.601 24.789 ( -0.379 -23.220 -1.906) 23.301 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 20.979 -2.381) 21.114 2.383 ( 0.000 22.721 2.354) 22.843 2.590 ( 0.000 12.905 -10.192) 16.444 2.654 ( 0.000 7.418 -7.394) 10.474 2.844 ( 0.000 10.138 0.425) 10.147 2.961 ( 0.000 11.393 -4.673) 12.314 3.075 ( 0.000 -0.153 10.545) 10.546 3.185 ( 0.000 3.986 8.498) 9.387 3.195 ( 0.000 4.662 3.445) 5.797 3.323 ( 0.000 9.514 3.677) 10.200 3.381 ( 0.000 5.845 -2.312) 6.285 3.441 ( 0.000 0.972 -3.915) 4.034 3.561 ( 0.000 6.360 -0.628) 6.391 3.611 ( 0.000 0.665 -2.058) 2.162 3.776 ( 0.000 7.933 5.686) 9.760 3.937 ( 0.000 27.709 11.247) 29.904 4.046 ( 0.000 7.615 4.507) 8.849 4.179 ( 0.000 9.723 -0.036) 9.723 4.180 ( 0.000 4.695 1.300) 4.872 4.519 ( 0.000 11.436 11.511) 16.226 4.697 ( 0.000 11.546 -9.323) 14.840 4.878 ( 0.000 1.016 -6.594) 6.672 4.982 ( 0.000 11.649 -7.545) 13.879 5.064 ( 0.000 3.348 -3.991) 5.209 5.710 ( 0.000 -2.032 2.177) 2.978 5.828 ( 0.000 2.916 -2.879) 4.098 5.862 ( 0.000 0.769 0.462) 0.897 5.970 ( 0.000 0.305 -3.906) 3.918 6.840 ( 0.000 2.996 0.222) 3.004 6.946 ( 0.000 5.140 -2.787) 5.847 7.019 ( 0.000 6.457 -0.417) 6.471 7.056 ( 0.000 8.100 -1.804) 8.298 7.222 ( 0.000 1.201 4.258) 4.425 7.359 ( 0.000 15.744 4.391) 16.345 7.518 ( 0.000 11.846 -0.763) 11.870 7.534 ( 0.000 7.673 3.120) 8.283 7.916 ( 0.000 8.954 -6.624) 11.138 8.017 ( 0.000 18.531 -9.834) 20.978 8.118 ( 0.000 1.707 12.268) 12.387 8.404 ( 0.000 11.634 3.092) 12.038 8.468 ( 0.000 15.413 0.837) 15.436 8.621 ( 0.000 11.436 -4.661) 12.350 8.932 ( 0.000 15.149 7.347) 16.836 9.036 ( 0.000 4.819 0.339) 4.831 9.357 ( 0.000 12.488 -1.626) 12.594 9.547 ( 0.000 9.797 -6.830) 11.943 9.791 ( 0.000 3.100 2.309) 3.865 9.837 ( 0.000 6.139 3.687) 7.161 9.915 ( 0.000 6.309 3.860) 7.396 9.998 ( 0.000 16.778 -2.126) 16.912 10.190 ( 0.000 7.702 7.271) 10.592 10.261 ( 0.000 10.873 3.041) 11.291 10.470 ( 0.000 10.127 -1.313) 10.212 10.599 ( 0.000 -29.760 -6.956) 30.562 10.618 ( 0.000 -10.947 -0.641) 10.966 10.663 ( 0.000 -17.512 -4.625) 18.112 10.770 ( 0.000 -2.388 -5.564) 6.055 10.878 ( 0.000 4.483 -8.139) 9.292 11.017 ( 0.000 -5.330 -2.267) 5.792 11.295 ( 0.000 9.400 2.875) 9.830 11.577 ( 0.000 0.377 13.746) 13.751 11.628 ( 0.000 -2.297 -6.834) 7.210 11.832 ( 0.000 1.111 3.757) 3.918 12.240 ( 0.000 2.824 7.241) 7.772 12.325 ( 0.000 7.412 2.367) 7.781 12.486 ( 0.000 12.012 19.969) 23.304 12.506 ( 0.000 -2.523 -9.099) 9.442 12.644 ( 0.000 18.129 3.788) 18.520 12.958 ( 0.000 -7.383 -16.222) 17.823 13.455 ( 0.000 -2.487 4.072) 4.771 13.629 ( 0.000 -8.943 5.119) 10.305 13.735 ( 0.000 -0.536 -12.072) 12.084 14.638 ( 0.000 12.717 -14.030) 18.936 14.712 ( 0.000 0.209 -6.902) 6.905 15.004 ( 0.000 -3.973 4.542) 6.035 15.492 ( 0.000 -10.467 2.854) 10.849 15.583 ( 0.000 -6.810 -11.586) 13.439 15.785 ( 0.000 -2.553 -7.311) 7.744 15.795 ( 0.000 -3.697 -5.634) 6.739 15.885 ( 0.000 -5.294 -9.563) 10.930 16.870 ( 0.000 3.133 10.690) 11.140 16.974 ( 0.000 1.602 9.304) 9.441 17.030 ( 0.000 -6.380 15.606) 16.859 17.458 ( 0.000 7.234 -16.209) 17.750 18.096 ( 0.000 9.224 14.215) 16.945 18.887 ( 0.000 -19.028 34.769) 39.635 19.234 ( 0.000 -7.326 -23.765) 24.869 19.813 ( 0.000 -18.165 -3.648) 18.528 21.836 ( 0.000 -0.255 0.616) 0.667 21.919 ( 0.000 1.529 -2.546) 2.970 22.232 ( 0.000 7.629 1.016) 7.696 22.266 ( 0.000 10.977 -0.359) 10.983 23.918 ( 0.000 1.070 -0.075) 1.073 23.961 ( 0.000 -2.478 -2.485) 3.510 24.137 ( 0.000 -12.999 4.726) 13.831 24.302 ( 0.000 -18.936 -1.962) 19.037 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -1.598 21.048 1.471) 21.160 2.427 ( 3.519 19.928 -0.134) 20.237 2.549 ( -5.698 8.834 -3.738) 11.157 2.669 ( 2.947 10.034 -10.380) 14.735 2.807 ( -5.567 8.271 1.142) 10.035 2.897 ( -4.163 10.209 1.244) 11.095 2.971 ( -2.319 9.431 0.693) 9.737 3.130 ( -5.091 7.116 1.777) 8.929 3.303 ( -0.252 8.000 3.431) 8.709 3.316 ( 3.509 5.261 3.922) 7.442 3.395 ( -0.225 5.187 -1.360) 5.367 3.469 ( 0.317 -0.206 -4.172) 4.189 3.538 ( 3.131 7.920 0.968) 8.571 3.669 ( 3.945 3.023 -3.420) 6.033 3.888 ( 11.009 7.676 8.006) 15.627 3.969 ( 1.950 17.980 9.500) 20.429 4.056 ( 0.234 6.717 8.710) 11.002 4.097 ( -5.768 9.717 1.305) 11.375 4.188 ( -0.492 6.603 1.128) 6.716 4.505 ( -2.324 12.675 11.216) 17.083 4.704 ( 1.570 8.888 -9.632) 13.200 4.911 ( 2.598 3.447 -6.822) 8.073 4.973 ( -0.995 11.067 -6.453) 12.850 5.066 ( 0.064 5.553 -5.655) 7.926 5.715 ( 0.569 -2.405 2.086) 3.234 5.813 ( -1.273 0.565 -2.062) 2.489 5.888 ( 2.082 0.792 -0.969) 2.429 5.962 ( -0.751 -0.471 -3.536) 3.646 6.897 ( 2.681 3.439 -0.748) 4.425 6.950 ( 0.566 8.193 -0.435) 8.224 7.010 ( 3.918 5.627 2.835) 7.419 7.116 ( 0.784 5.476 4.095) 6.883 7.213 ( 4.181 7.056 -4.388) 9.302 7.427 ( 2.779 13.599 -1.629) 13.975 7.482 ( -1.009 8.150 3.488) 8.922 7.590 ( 4.548 8.562 2.788) 10.088 7.856 ( -5.566 9.841 -4.683) 12.238 7.998 ( -4.491 7.355 1.730) 8.789 8.121 ( 2.070 12.133 -2.227) 12.508 8.396 ( -2.964 12.911 0.808) 13.272 8.496 ( 6.093 16.365 3.847) 17.881 8.693 ( 5.469 11.605 -2.645) 13.099 8.959 ( 2.258 15.231 6.316) 16.642 9.012 ( -2.233 4.796 1.892) 5.618 9.423 ( 5.628 11.207 -3.990) 13.160 9.499 ( -4.466 11.104 -3.188) 12.385 9.679 ( -6.565 9.008 0.221) 11.149 9.796 ( -5.021 11.096 0.583) 12.193 9.918 ( -1.910 3.692 4.403) 6.055 10.028 ( 5.209 2.676 0.091) 5.856 10.232 ( 3.970 9.890 3.954) 11.367 10.350 ( 6.075 8.581 4.306) 11.361 10.456 ( -2.226 3.253 -2.774) 4.820 10.579 ( -0.348 -15.750 -6.274) 16.957 10.640 ( -0.772 -7.611 1.259) 7.753 10.662 ( -0.930 -14.881 -2.139) 15.062 10.737 ( -0.974 -8.521 -5.996) 10.465 10.830 ( -3.723 2.967 -10.131) 11.194 10.963 ( -4.170 -7.360 -0.886) 8.506 11.207 ( -8.274 9.661 2.354) 12.936 11.567 ( -0.902 0.342 10.410) 10.454 11.660 ( 3.274 -0.872 -4.968) 6.013 11.768 ( -6.051 1.719 2.681) 6.838 12.143 ( -7.875 2.950 2.418) 8.750 12.393 ( 4.631 5.750 3.395) 8.127 12.431 ( -2.388 11.253 16.881) 20.428 12.556 ( -3.223 6.766 1.472) 7.638 12.582 ( 1.474 5.429 -0.632) 5.661 13.077 ( 8.954 -5.233 -11.120) 15.206 13.398 ( -3.862 -3.973 2.636) 6.136 13.666 ( 2.321 -4.594 -0.023) 5.147 13.748 ( 0.834 -0.976 -10.626) 10.703 14.668 ( 3.943 10.745 -10.968) 15.852 14.832 ( 9.735 0.370 -5.659) 11.266 14.995 ( -0.428 -3.294 2.906) 4.414 15.498 ( -0.198 -9.275 -1.229) 9.358 15.543 ( -3.581 -7.512 -7.285) 11.060 15.734 ( -3.893 -1.763 -7.252) 8.417 15.809 ( 0.560 -3.550 -6.817) 7.706 15.877 ( -0.812 -4.852 -9.410) 10.618 16.879 ( 0.818 3.205 10.575) 11.081 16.959 ( -1.264 1.445 9.697) 9.885 17.064 ( 3.280 -5.405 13.285) 14.713 17.415 ( -4.467 5.441 -13.301) 15.049 18.116 ( 2.176 8.464 15.787) 18.044 18.658 ( -17.008 -9.968 30.006) 35.902 19.366 ( 8.789 -12.160 -18.145) 23.544 19.778 ( -3.712 -17.887 -6.515) 19.395 21.852 ( 1.829 2.104 1.159) 3.019 21.956 ( 3.313 1.983 -2.827) 4.785 22.179 ( -4.846 8.129 1.821) 9.638 22.241 ( -2.637 9.765 -0.713) 10.140 23.884 ( -0.785 0.651 1.275) 1.632 23.978 ( -0.740 -6.602 -2.299) 7.030 24.212 ( 6.858 -12.303 3.042) 14.410 24.342 ( 3.120 -18.661 -1.771) 19.003 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 1.718 16.762 4.000) 17.318 2.409 ( -6.803 10.662 3.111) 13.025 2.519 ( 5.869 16.737 -0.704) 17.750 2.650 ( -7.272 11.935 -0.550) 13.987 2.775 ( 5.653 9.027 -8.014) 13.329 2.863 ( -2.139 9.417 -4.316) 10.578 2.947 ( 0.361 10.864 -1.655) 10.995 3.012 ( -5.914 11.561 -2.092) 13.153 3.308 ( 0.902 7.506 1.978) 7.815 3.331 ( -1.192 6.072 1.852) 6.459 3.393 ( 0.939 7.969 -0.941) 8.079 3.427 ( -2.494 5.957 -4.606) 7.932 3.686 ( 8.961 3.489 4.021) 10.423 3.767 ( 3.981 1.066 1.200) 4.293 3.925 ( -4.941 7.128 4.489) 9.766 3.952 ( -5.576 7.279 0.571) 9.187 4.098 ( 2.653 11.506 10.089) 15.531 4.106 ( 4.324 12.675 7.402) 15.302 4.215 ( 6.965 3.028 6.971) 10.309 4.400 ( -8.454 8.129 8.232) 14.329 4.777 ( 5.516 11.048 -6.541) 13.974 4.888 ( -4.903 12.300 -5.083) 14.184 5.001 ( 3.425 5.613 -7.899) 10.278 5.054 ( -1.639 7.232 -7.758) 10.732 5.738 ( 1.890 -2.881 1.266) 3.671 5.780 ( -2.111 -2.022 -0.575) 2.979 5.925 ( 1.469 -0.898 -2.437) 2.984 5.946 ( -0.862 -1.484 -3.065) 3.513 6.897 ( 0.380 7.624 3.190) 8.273 6.933 ( -2.931 9.477 4.059) 10.718 7.152 ( 7.793 3.712 -1.499) 8.761 7.212 ( 6.751 8.278 1.325) 10.763 7.289 ( 1.968 4.270 -4.090) 6.232 7.382 ( -2.970 7.084 -4.357) 8.831 7.557 ( 4.178 15.793 2.724) 16.562 7.658 ( -3.046 10.282 0.055) 10.724 7.738 ( 0.661 7.754 3.217) 8.421 7.867 ( -7.825 -0.051 7.392) 10.765 8.195 ( 5.148 16.439 -8.768) 19.330 8.306 ( -5.676 15.227 -4.466) 16.853 8.681 ( 10.890 19.011 4.029) 22.277 8.782 ( 2.367 13.141 0.153) 13.353 8.946 ( -2.845 4.611 5.373) 7.631 8.966 ( -3.960 12.624 5.286) 14.247 9.451 ( 1.924 13.103 -0.754) 13.265 9.499 ( 0.737 10.809 -3.982) 11.543 9.598 ( -1.676 9.079 -1.133) 9.302 9.668 ( -7.084 15.254 0.154) 16.819 9.954 ( 8.182 -1.526 1.635) 8.483 10.138 ( -2.794 -2.793 -3.037) 4.983 10.251 ( 4.002 8.884 2.462) 10.050 10.417 ( -4.228 4.839 0.371) 6.437 10.433 ( 3.513 -0.048 0.209) 3.520 10.514 ( -7.381 0.051 -2.670) 7.849 10.599 ( 1.729 -12.253 -4.421) 13.141 10.632 ( -1.648 -15.697 -4.126) 16.314 10.797 ( 4.299 -9.631 -0.368) 10.554 10.822 ( 3.721 -0.679 0.457) 3.810 10.891 ( -2.319 -1.296 -6.323) 6.859 11.013 ( -10.524 8.888 1.570) 13.864 11.560 ( 1.140 0.309 5.461) 5.587 11.633 ( -6.152 0.640 4.146) 7.447 11.772 ( 7.856 2.249 -3.570) 8.917 11.957 ( -10.493 3.909 -1.109) 11.253 12.404 ( 1.000 10.152 12.172) 15.882 12.447 ( -2.312 11.593 5.938) 13.229 12.537 ( 3.878 2.359 6.521) 7.945 12.599 ( -1.390 0.080 3.277) 3.561 13.236 ( 6.704 -6.360 -7.156) 11.688 13.331 ( -3.478 -5.894 -2.608) 7.324 13.708 ( 2.187 0.052 -6.074) 6.456 13.745 ( -1.268 0.313 -9.242) 9.334 14.778 ( 6.638 7.087 -4.478) 10.693 14.892 ( -4.071 2.129 1.183) 4.744 15.125 ( 13.077 -4.233 -6.443) 15.180 15.369 ( -10.908 -6.937 -7.823) 15.110 15.558 ( 3.445 -5.844 -2.037) 7.083 15.644 ( -4.987 -2.488 -6.249) 8.373 15.827 ( 1.307 -3.533 -8.103) 8.936 15.855 ( -1.421 -4.077 -8.937) 9.925 16.901 ( 1.421 3.041 10.151) 10.691 16.931 ( -1.589 2.255 9.761) 10.144 17.156 ( 6.161 -3.359 7.086) 9.972 17.294 ( -7.402 0.850 -3.749) 8.341 18.189 ( 5.784 5.753 20.601) 22.157 18.360 ( -12.237 -0.285 27.193) 29.821 19.527 ( 7.890 -14.562 -16.540) 23.407 19.672 ( -6.830 -16.513 -12.300) 21.694 21.914 ( 4.511 5.493 1.661) 7.299 22.000 ( -1.816 5.397 -1.274) 5.835 22.102 ( 0.273 6.701 1.263) 6.824 22.170 ( -4.359 7.562 -1.087) 8.796 23.899 ( 1.926 -2.696 1.190) 3.521 23.943 ( -2.330 -6.218 -0.276) 6.646 24.339 ( 4.990 -15.445 0.423) 16.236 24.384 ( 0.397 -17.837 -1.030) 17.871 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 8.330 -2.254) 8.629 2.721 ( 0.000 7.795 -3.503) 8.546 2.779 ( 0.000 9.361 -2.428) 9.670 2.828 ( 0.000 15.279 -4.998) 16.076 3.036 ( 0.000 8.175 0.933) 8.228 3.071 ( 0.000 0.720 7.172) 7.208 3.171 ( 0.000 8.203 -2.178) 8.487 3.219 ( 0.000 0.132 7.664) 7.665 3.265 ( 0.000 3.549 1.380) 3.808 3.426 ( 0.000 -1.116 -5.403) 5.517 3.489 ( 0.000 5.128 -0.684) 5.174 3.493 ( 0.000 7.175 3.309) 7.901 3.652 ( 0.000 3.078 -0.368) 3.100 3.667 ( 0.000 3.210 -0.218) 3.217 3.862 ( 0.000 1.288 9.840) 9.924 4.096 ( 0.000 -1.369 2.718) 3.043 4.275 ( 0.000 5.706 1.714) 5.958 4.361 ( 0.000 9.023 -1.238) 9.108 4.407 ( 0.000 18.618 7.506) 20.074 4.709 ( 0.000 8.432 3.838) 9.265 4.886 ( 0.000 6.876 -4.272) 8.095 4.901 ( 0.000 1.798 -2.995) 3.493 5.144 ( 0.000 4.518 -3.691) 5.834 5.183 ( 0.000 7.858 -8.030) 11.235 5.725 ( 0.000 4.207 2.948) 5.137 5.865 ( 0.000 1.413 -0.357) 1.457 5.903 ( 0.000 2.650 -1.504) 3.047 6.001 ( 0.000 2.211 -6.895) 7.241 6.905 ( 0.000 5.057 1.643) 5.317 7.066 ( 0.000 7.383 -2.938) 7.946 7.146 ( 0.000 6.662 -0.777) 6.707 7.167 ( 0.000 4.140 -1.365) 4.359 7.243 ( 0.000 2.716 9.050) 9.449 7.602 ( 0.000 9.869 2.597) 10.205 7.693 ( 0.000 8.054 11.820) 14.304 7.695 ( 0.000 5.650 -3.377) 6.582 8.012 ( 0.000 2.595 -4.911) 5.555 8.179 ( 0.000 3.809 9.228) 9.983 8.363 ( 0.000 15.617 -7.099) 17.154 8.618 ( 0.000 8.730 -1.529) 8.863 8.749 ( 0.000 12.286 -4.720) 13.161 8.859 ( 0.000 12.181 -3.451) 12.660 9.120 ( 0.000 4.392 7.031) 8.290 9.216 ( 0.000 10.906 -0.094) 10.907 9.546 ( 0.000 -12.605 -7.187) 14.510 9.570 ( 0.000 9.870 2.720) 10.238 9.809 ( 0.000 -2.175 1.270) 2.519 9.809 ( 0.000 -6.648 1.204) 6.756 9.888 ( 0.000 -25.144 -4.097) 25.475 9.899 ( 0.000 -4.821 -7.299) 8.747 10.097 ( 0.000 -12.461 -8.027) 14.822 10.128 ( 0.000 -4.779 -2.797) 5.538 10.517 ( 0.000 5.778 3.957) 7.003 10.531 ( 0.000 11.207 -2.169) 11.415 10.689 ( 0.000 0.270 12.365) 12.368 10.731 ( 0.000 11.382 0.857) 11.414 10.888 ( 0.000 12.246 7.895) 14.570 10.945 ( 0.000 11.409 3.908) 12.060 10.997 ( 0.000 4.795 -9.759) 10.873 11.564 ( 0.000 -3.626 -4.456) 5.745 11.565 ( 0.000 -1.262 13.220) 13.281 11.733 ( 0.000 26.408 -9.170) 27.955 11.967 ( 0.000 12.516 -4.861) 13.427 12.256 ( 0.000 -13.955 -11.871) 18.321 12.318 ( 0.000 5.809 6.759) 8.913 12.525 ( 0.000 4.327 0.373) 4.343 12.721 ( 0.000 10.336 14.829) 18.076 12.834 ( 0.000 -4.884 -0.645) 4.926 12.978 ( 0.000 14.892 6.655) 16.312 13.408 ( 0.000 -2.724 4.164) 4.976 13.438 ( 0.000 -9.673 9.494) 13.553 13.693 ( 0.000 -4.326 -3.221) 5.394 14.676 ( 0.000 -3.046 -1.218) 3.280 14.833 ( 0.000 3.157 2.578) 4.076 14.949 ( 0.000 -0.852 2.946) 3.067 15.344 ( 0.000 -1.433 -18.753) 18.808 15.389 ( 0.000 -11.658 -2.378) 11.898 15.742 ( 0.000 -1.040 -19.321) 19.349 15.762 ( 0.000 0.539 -18.862) 18.869 15.814 ( 0.000 -1.722 -19.834) 19.908 16.968 ( 0.000 -0.107 25.569) 25.569 16.980 ( 0.000 6.234 16.134) 17.297 17.061 ( 0.000 5.866 13.253) 14.493 17.523 ( 0.000 -1.204 -4.714) 4.865 18.310 ( 0.000 12.106 5.528) 13.308 18.649 ( 0.000 -4.783 23.163) 23.652 19.077 ( 0.000 -8.322 -19.741) 21.423 19.460 ( 0.000 -17.642 -5.633) 18.519 21.814 ( 0.000 -1.604 0.820) 1.801 21.899 ( 0.000 -2.708 -2.555) 3.723 22.274 ( 0.000 -2.294 2.163) 3.153 22.358 ( 0.000 -1.069 -1.064) 1.508 23.875 ( 0.000 -6.289 1.119) 6.388 23.921 ( 0.000 -1.287 -0.444) 1.361 23.986 ( 0.000 -2.820 0.229) 2.829 24.002 ( 0.000 -10.976 -0.349) 10.982 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -3.070 6.480 -0.181) 7.173 2.735 ( -4.265 13.951 0.588) 14.601 2.761 ( 2.497 12.398 -1.844) 12.781 2.835 ( 0.898 8.497 -6.737) 10.881 2.958 ( -3.436 7.089 1.125) 7.958 3.078 ( -2.849 7.112 -1.235) 7.760 3.133 ( -0.779 6.362 2.945) 7.054 3.243 ( 0.206 5.225 0.987) 5.322 3.346 ( 5.281 -0.538 2.676) 5.945 3.432 ( 0.857 -2.207 -4.200) 4.822 3.455 ( -1.672 6.549 2.532) 7.218 3.519 ( 1.175 5.941 0.629) 6.088 3.673 ( 2.964 5.351 -0.165) 6.119 3.700 ( 2.929 0.498 -0.480) 3.010 3.930 ( 5.900 -1.935 9.252) 11.143 4.079 ( -1.992 -1.036 2.931) 3.692 4.212 ( -3.849 8.289 2.259) 9.414 4.328 ( -3.284 8.716 1.742) 9.476 4.387 ( -1.425 13.007 7.591) 15.127 4.711 ( -6.994 6.945 7.285) 12.256 4.840 ( 6.104 6.950 -8.076) 12.279 5.011 ( 5.782 6.636 -3.613) 9.514 5.158 ( 0.406 6.921 -4.165) 8.088 5.198 ( 1.639 7.008 -8.151) 10.874 5.717 ( -0.565 3.337 2.912) 4.465 5.834 ( -3.026 1.790 -0.290) 3.528 5.905 ( 0.166 0.489 -2.530) 2.582 5.975 ( -2.337 1.310 -5.920) 6.498 6.963 ( 4.590 5.167 1.842) 7.153 7.090 ( 2.595 6.384 -1.546) 7.062 7.133 ( 1.109 6.990 2.827) 7.622 7.210 ( 0.994 4.789 5.392) 7.280 7.313 ( 7.941 4.328 -2.918) 9.503 7.605 ( 0.301 7.316 7.308) 10.345 7.624 ( -4.130 6.281 -6.807) 10.141 7.767 ( 4.893 6.862 9.148) 12.439 7.968 ( -4.889 4.049 1.359) 6.492 8.109 ( -5.156 5.657 6.756) 10.209 8.433 ( 4.261 14.708 -13.237) 20.241 8.670 ( 0.453 14.546 -0.433) 14.559 8.752 ( 5.719 7.296 -4.203) 10.178 8.905 ( 3.587 10.487 0.334) 11.088 9.084 ( -3.297 3.475 7.683) 9.054 9.250 ( 1.937 11.034 -0.491) 11.214 9.564 ( 2.892 -6.225 -5.515) 8.805 9.600 ( 2.764 3.242 -2.288) 4.836 9.768 ( -4.011 1.798 -0.360) 4.410 9.796 ( -0.823 -8.111 -3.389) 8.829 9.907 ( 4.296 -16.745 0.333) 17.291 9.952 ( 3.675 -10.427 -4.200) 11.827 10.048 ( -5.318 -3.465 -2.477) 6.813 10.154 ( 2.458 -10.237 -6.193) 12.215 10.377 ( -7.868 7.192 2.104) 10.866 10.467 ( -8.346 -1.521 -1.933) 8.701 10.654 ( -7.375 -1.833 4.970) 9.080 10.777 ( 5.679 10.528 7.200) 13.961 10.875 ( -6.152 3.230 -0.128) 6.949 10.949 ( 2.045 12.003 1.469) 12.264 11.026 ( 5.687 18.443 2.403) 19.449 11.473 ( -7.443 7.544 6.529) 12.448 11.621 ( 4.989 -1.550 -1.499) 5.435 11.710 ( -1.974 16.205 -5.534) 17.237 11.897 ( -7.317 10.888 -8.001) 15.366 12.145 ( -5.744 -3.715 -5.647) 8.870 12.452 ( 6.751 0.673 3.542) 7.654 12.534 ( 1.361 3.209 1.893) 3.967 12.673 ( -3.590 8.849 12.896) 16.047 12.756 ( -5.139 3.541 2.958) 6.907 13.063 ( 5.723 5.626 4.925) 9.416 13.324 ( -4.188 -3.613 6.545) 8.569 13.550 ( 6.482 -6.541 4.278) 10.153 13.704 ( 0.804 -4.367 -3.329) 5.550 14.764 ( 7.927 -2.870 -1.562) 8.574 14.852 ( 2.144 1.048 4.206) 4.836 14.945 ( -0.373 -1.245 3.837) 4.051 15.331 ( -4.043 -9.543 -5.657) 11.807 15.393 ( 3.149 -2.059 -16.611) 17.032 15.717 ( -3.394 0.599 -19.939) 20.235 15.757 ( 0.518 -0.976 -19.059) 19.091 15.814 ( -0.305 -1.472 -19.996) 20.052 16.977 ( 0.841 3.702 18.027) 18.423 17.003 ( 2.194 2.929 20.964) 21.281 17.059 ( 0.192 5.033 14.324) 15.184 17.453 ( -6.853 -1.711 -0.114) 7.065 18.320 ( 1.065 11.781 6.322) 13.413 18.560 ( -7.121 0.479 19.068) 20.360 19.142 ( 5.365 -10.689 -17.065) 20.839 19.433 ( -2.743 -17.118 -7.406) 18.852 21.848 ( 3.464 -1.473 1.091) 3.919 21.943 ( 4.133 -2.642 -2.682) 5.591 22.226 ( -4.594 -2.076 2.505) 5.629 22.318 ( -3.977 -1.449 -1.130) 4.381 23.861 ( -0.809 -5.165 0.813) 5.291 23.888 ( -1.828 -0.501 -0.105) 1.899 24.042 ( 3.835 -6.031 -0.031) 7.147 24.046 ( 3.488 -10.981 -0.135) 11.522 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.349 9.926 2.621) 10.272 2.643 ( -4.246 14.118 2.796) 15.005 2.809 ( 2.382 13.114 -1.039) 13.369 2.847 ( -0.812 7.950 -4.727) 9.285 2.932 ( 1.514 7.434 -2.348) 7.941 3.000 ( -4.447 4.875 -3.778) 7.603 3.150 ( 2.518 9.092 0.019) 9.434 3.213 ( -3.192 8.261 -1.474) 8.978 3.393 ( 1.056 0.980 0.396) 1.495 3.417 ( -1.382 4.130 1.450) 4.590 3.491 ( 2.894 0.094 0.092) 2.897 3.526 ( -0.666 4.234 0.069) 4.287 3.759 ( 4.790 3.599 1.361) 6.144 3.776 ( 3.781 0.663 1.207) 4.024 3.970 ( -1.855 -2.964 1.978) 4.017 4.009 ( -5.145 -0.869 0.738) 5.270 4.260 ( 9.556 7.451 7.128) 14.059 4.305 ( 1.801 7.209 6.619) 9.951 4.344 ( -2.742 9.037 7.871) 12.293 4.506 ( -12.521 3.736 6.568) 14.624 5.002 ( 8.109 11.486 -5.586) 15.129 5.102 ( 0.401 9.440 -5.328) 10.848 5.149 ( 1.487 8.654 -5.499) 10.361 5.211 ( -1.566 7.572 -8.336) 11.370 5.718 ( 1.092 1.262 2.478) 2.988 5.765 ( -3.468 0.698 0.609) 3.590 5.910 ( 0.431 -0.945 -3.517) 3.667 5.930 ( -1.823 -0.393 -4.370) 4.751 7.023 ( 2.371 6.644 4.451) 8.341 7.082 ( -3.708 6.809 5.844) 9.709 7.223 ( 9.111 3.171 -3.785) 10.363 7.326 ( 4.993 2.698 0.381) 5.688 7.404 ( 1.026 8.426 -2.125) 8.750 7.502 ( -4.818 6.872 -3.811) 9.218 7.703 ( 6.431 5.598 6.582) 10.771 7.835 ( -4.769 1.900 9.145) 10.487 7.865 ( 2.727 8.759 3.112) 9.687 7.987 ( -7.155 8.396 5.320) 12.247 8.512 ( 4.470 13.919 -14.056) 20.280 8.608 ( -4.837 14.242 -9.980) 18.051 8.908 ( 5.561 4.990 5.234) 9.122 9.002 ( -4.776 3.394 8.263) 10.129 9.032 ( 10.864 10.834 0.444) 15.349 9.221 ( -6.118 8.763 -1.135) 10.748 9.637 ( 0.867 -0.984 -5.476) 5.631 9.670 ( 0.125 4.631 -4.878) 6.727 9.696 ( 5.574 -0.970 -2.671) 6.256 9.873 ( 7.558 -2.514 0.459) 7.978 9.893 ( -8.918 -5.737 -1.779) 10.752 9.999 ( -0.112 -7.065 1.152) 7.159 10.027 ( 5.363 -7.310 0.967) 9.118 10.179 ( -2.635 -7.045 -3.636) 8.354 10.253 ( -2.929 -4.645 -2.216) 5.922 10.326 ( -4.832 -6.583 -7.263) 10.928 10.513 ( -1.195 -4.390 -0.333) 4.562 10.663 ( -12.448 -0.199 -4.687) 13.303 10.904 ( 5.947 8.352 12.028) 15.805 10.979 ( -0.980 9.535 10.767) 14.415 11.171 ( 8.112 21.528 2.415) 23.132 11.322 ( -7.587 18.002 0.995) 19.561 11.662 ( 0.579 11.012 3.207) 11.484 11.738 ( -6.566 9.260 -4.962) 12.388 11.790 ( 9.005 -1.107 -11.633) 14.753 11.992 ( -10.183 -0.552 -7.584) 12.709 12.549 ( 4.012 4.102 7.757) 9.649 12.589 ( 3.533 3.302 4.827) 6.832 12.616 ( -2.637 6.348 8.081) 10.609 12.663 ( -4.356 5.042 6.780) 9.506 13.166 ( 4.804 0.392 4.358) 6.498 13.249 ( -3.815 -1.962 5.139) 6.694 13.658 ( 4.230 -5.029 0.028) 6.571 13.707 ( -0.917 -4.483 -2.648) 5.287 14.872 ( 2.612 0.815 4.062) 4.897 14.908 ( -0.644 -0.803 5.262) 5.362 15.003 ( 9.824 -7.389 0.104) 12.293 15.199 ( -8.998 -9.675 -1.868) 13.343 15.494 ( 6.503 1.087 -21.493) 22.481 15.622 ( -6.091 1.288 -21.245) 22.139 15.775 ( 1.223 -1.201 -19.612) 19.687 15.799 ( -1.116 -1.336 -20.020) 20.096 16.998 ( 1.190 5.337 14.858) 15.833 17.019 ( -0.774 5.460 14.744) 15.741 17.121 ( 6.547 -0.057 18.598) 19.717 17.284 ( -9.495 -1.624 10.450) 14.213 18.355 ( 2.731 10.520 8.826) 14.001 18.433 ( -5.369 7.173 13.332) 16.063 19.252 ( 5.704 -13.331 -14.418) 20.448 19.357 ( -4.888 -15.509 -11.120) 19.700 21.942 ( 5.792 -1.233 1.167) 6.036 22.022 ( 1.046 -1.792 -2.183) 3.012 22.138 ( -1.425 -2.305 2.359) 3.593 22.216 ( -5.994 -2.226 -0.931) 6.462 23.854 ( 0.094 -3.074 0.484) 3.113 23.863 ( -0.788 -1.203 0.190) 1.451 24.101 ( 1.807 -10.343 -0.074) 10.500 24.103 ( 1.710 -10.109 -0.073) 10.253 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.000 0.536 -0.058) 0.539 2.770 ( 0.000 -0.582 -3.444) 3.493 2.997 ( 0.000 9.609 -1.008) 9.662 3.095 ( 0.000 1.812 3.961) 4.356 3.096 ( 0.000 9.557 -2.665) 9.922 3.117 ( 0.000 0.745 3.731) 3.805 3.228 ( 0.000 0.437 -0.589) 0.733 3.247 ( 0.000 0.919 -2.508) 2.671 3.382 ( 0.000 7.466 1.695) 7.656 3.439 ( 0.000 3.540 -2.271) 4.206 3.576 ( 0.000 3.051 0.542) 3.099 3.583 ( 0.000 1.657 1.966) 2.571 3.670 ( 0.000 -2.836 2.818) 3.998 3.683 ( 0.000 0.212 0.863) 0.888 3.879 ( 0.000 1.560 6.742) 6.920 4.020 ( 0.000 -5.373 1.823) 5.674 4.394 ( 0.000 5.772 2.070) 6.132 4.474 ( 0.000 2.891 0.365) 2.914 4.704 ( 0.000 11.794 1.193) 11.854 4.851 ( 0.000 5.909 -1.044) 6.000 4.942 ( 0.000 1.724 0.337) 1.757 4.953 ( 0.000 0.050 -1.356) 1.357 5.230 ( 0.000 4.005 -3.191) 5.121 5.279 ( 0.000 2.350 -4.383) 4.974 5.851 ( 0.000 7.455 -0.705) 7.488 5.899 ( 0.000 2.005 0.010) 2.005 5.940 ( 0.000 0.809 -1.072) 1.343 6.025 ( 0.000 -0.366 -5.799) 5.810 7.051 ( 0.000 8.903 2.838) 9.344 7.204 ( 0.000 3.667 -1.818) 4.093 7.236 ( 0.000 4.826 -0.003) 4.826 7.269 ( 0.000 5.368 -1.002) 5.460 7.350 ( 0.000 8.361 8.128) 11.661 7.710 ( 0.000 -2.376 -4.166) 4.795 7.774 ( 0.000 5.812 1.980) 6.140 7.860 ( 0.000 8.376 13.349) 15.759 8.032 ( 0.000 0.784 -5.599) 5.654 8.279 ( 0.000 6.654 6.321) 9.178 8.522 ( 0.000 -5.253 -6.804) 8.596 8.620 ( 0.000 -7.611 3.439) 8.352 8.945 ( 0.000 7.639 -6.921) 10.308 9.050 ( 0.000 5.791 1.570) 6.001 9.202 ( 0.000 0.509 1.287) 1.384 9.337 ( 0.000 5.768 6.384) 8.604 9.340 ( 0.000 3.426 -6.966) 7.763 9.479 ( 0.000 -9.601 -6.350) 11.511 9.623 ( 0.000 -10.646 -6.109) 12.275 9.713 ( 0.000 -3.307 -1.958) 3.843 9.827 ( 0.000 -2.290 -3.575) 4.246 9.832 ( 0.000 1.435 -0.967) 1.730 9.935 ( 0.000 -2.025 -11.484) 11.661 10.048 ( 0.000 -5.149 -10.539) 11.729 10.607 ( 0.000 3.160 5.796) 6.601 10.622 ( 0.000 0.875 6.358) 6.418 10.820 ( 0.000 11.878 13.248) 17.793 10.873 ( 0.000 6.411 0.393) 6.423 10.976 ( 0.000 4.396 2.193) 4.912 11.117 ( 0.000 1.542 8.226) 8.369 11.256 ( 0.000 9.159 8.542) 12.524 11.407 ( 0.000 -10.423 -7.502) 12.842 11.626 ( 0.000 7.479 -2.479) 7.879 11.946 ( 0.000 -14.706 -14.943) 20.965 12.228 ( 0.000 20.467 -6.466) 21.464 12.245 ( 0.000 14.330 4.269) 14.953 12.443 ( 0.000 5.429 0.131) 5.431 12.553 ( 0.000 -1.532 3.760) 4.060 12.800 ( 0.000 1.202 7.496) 7.591 12.849 ( 0.000 2.692 6.383) 6.927 13.215 ( 0.000 9.660 9.435) 13.504 13.278 ( 0.000 -5.766 9.006) 10.693 13.336 ( 0.000 -4.489 4.374) 6.268 13.571 ( 0.000 -7.959 2.988) 8.501 14.630 ( 0.000 -1.004 4.153) 4.273 14.755 ( 0.000 -6.873 9.684) 11.875 14.950 ( 0.000 0.810 7.400) 7.444 15.172 ( 0.000 -9.978 1.954) 10.168 15.470 ( 0.000 10.706 -32.805) 34.507 15.728 ( 0.000 -1.545 -27.161) 27.205 15.799 ( 0.000 2.541 -25.301) 25.429 15.813 ( 0.000 1.217 -24.590) 24.620 17.006 ( 0.000 3.252 25.929) 26.132 17.069 ( 0.000 2.228 19.352) 19.480 17.177 ( 0.000 6.060 15.275) 16.433 17.434 ( 0.000 -6.652 9.558) 11.645 18.546 ( 0.000 11.570 0.259) 11.573 18.681 ( 0.000 6.748 6.646) 9.471 18.918 ( 0.000 -8.065 -13.088) 15.374 19.137 ( 0.000 -15.284 -5.458) 16.229 21.789 ( 0.000 -0.602 0.695) 0.920 21.840 ( 0.000 -2.892 -1.185) 3.125 22.201 ( 0.000 -3.609 1.482) 3.902 22.272 ( 0.000 -6.055 -1.106) 6.155 23.779 ( 0.000 -3.121 0.797) 3.221 23.819 ( 0.000 -5.422 -0.634) 5.459 23.927 ( 0.000 -0.560 0.663) 0.868 23.951 ( 0.000 -1.465 -0.196) 1.478 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.728 3.843 0.901) 4.013 2.838 ( 4.737 -0.411 -4.855) 6.795 2.986 ( -3.588 9.046 0.119) 9.732 3.022 ( -0.898 7.245 1.208) 7.400 3.111 ( 0.071 8.405 -3.569) 9.132 3.129 ( -3.638 -0.567 0.617) 3.734 3.209 ( 3.746 1.447 2.610) 4.789 3.335 ( 4.864 -1.346 0.163) 5.049 3.360 ( -1.026 6.538 1.313) 6.747 3.412 ( -2.545 2.285 -2.950) 4.517 3.542 ( -3.191 1.268 1.837) 3.894 3.585 ( -1.203 -0.254 1.115) 1.660 3.694 ( 3.840 -0.151 2.469) 4.568 3.732 ( 3.805 0.615 0.108) 3.856 3.897 ( 1.236 -0.192 5.916) 6.047 4.008 ( -1.457 -5.024 1.566) 5.460 4.363 ( -1.691 6.545 2.620) 7.250 4.441 ( -2.635 3.140 1.307) 4.303 4.600 ( -6.384 8.653 5.329) 12.002 4.768 ( -9.941 0.104 2.631) 10.284 5.002 ( 10.556 7.861 -3.775) 13.692 5.112 ( 8.142 2.855 -3.220) 9.209 5.267 ( 2.928 4.432 -3.642) 6.441 5.298 ( 1.749 3.127 -5.584) 6.635 5.826 ( -2.340 6.578 -0.106) 6.983 5.874 ( -2.924 1.957 0.259) 3.528 5.909 ( -2.234 -0.080 -1.519) 2.703 5.987 ( -3.445 -0.593 -5.207) 6.272 7.102 ( 4.173 7.730 1.189) 8.864 7.187 ( 0.704 3.175 -1.995) 3.815 7.276 ( 0.768 7.598 4.144) 8.689 7.313 ( 0.723 5.701 4.634) 7.382 7.401 ( 9.322 4.438 1.708) 10.465 7.650 ( -4.454 -2.209 -6.077) 7.851 7.791 ( 3.080 8.658 2.756) 9.594 7.892 ( 1.567 8.076 11.827) 14.406 8.025 ( -2.054 1.163 -2.148) 3.191 8.226 ( -4.202 7.323 8.083) 11.688 8.537 ( 1.212 -8.629 -8.142) 11.926 8.687 ( 3.473 -11.960 -1.751) 12.576 8.940 ( 1.296 11.732 -2.454) 12.056 9.079 ( 2.614 6.966 1.160) 7.530 9.178 ( -2.501 4.638 2.151) 5.691 9.335 ( 0.432 -0.769 -4.324) 4.413 9.385 ( 3.125 1.841 0.946) 3.748 9.510 ( 3.133 -7.125 -7.325) 10.688 9.621 ( 0.491 -7.814 -8.323) 11.427 9.724 ( 1.292 -5.179 -1.833) 5.644 9.828 ( 2.367 0.831 -3.934) 4.666 9.899 ( 2.989 0.608 -5.182) 6.014 9.955 ( 3.944 -3.569 -5.038) 7.326 10.053 ( 0.953 -3.120 -7.524) 8.201 10.472 ( -11.179 2.640 4.924) 12.498 10.538 ( -7.515 2.548 6.432) 10.215 10.653 ( -12.930 6.749 5.891) 15.730 10.881 ( -9.847 -0.651 -3.443) 10.452 10.970 ( 4.279 9.901 5.845) 12.268 11.104 ( 0.416 4.265 14.299) 14.927 11.326 ( 5.004 3.684 5.949) 8.602 11.462 ( 3.950 -6.621 -1.422) 7.840 11.660 ( 4.731 8.918 -5.560) 11.526 11.894 ( -4.156 -9.268 -15.020) 18.132 12.076 ( -8.916 15.370 1.418) 17.826 12.254 ( -5.558 12.772 -6.631) 15.426 12.494 ( 5.346 2.819 6.496) 8.873 12.596 ( 3.976 3.360 2.764) 5.894 12.770 ( -2.637 2.799 7.790) 8.687 12.821 ( -2.717 2.976 6.089) 7.301 13.215 ( 0.438 7.893 9.177) 12.112 13.266 ( -0.501 -1.505 8.366) 8.515 13.416 ( 5.981 -6.946 4.135) 10.055 13.577 ( 0.418 -8.393 2.515) 8.772 14.700 ( 6.596 -2.385 3.746) 7.952 14.777 ( 2.143 -5.904 9.292) 11.216 14.933 ( -1.684 0.261 7.547) 7.738 15.132 ( -3.978 -9.383 1.776) 10.345 15.506 ( 3.531 9.658 -31.877) 33.495 15.734 ( 0.259 -0.680 -26.723) 26.733 15.774 ( -2.081 2.637 -25.928) 26.145 15.810 ( -0.588 0.707 -25.161) 25.178 17.027 ( 2.235 3.010 24.699) 24.982 17.078 ( 0.949 2.294 19.135) 19.296 17.165 ( -1.132 5.404 15.633) 16.579 17.375 ( -5.611 -5.339 12.078) 14.348 18.553 ( 0.733 11.621 0.512) 11.655 18.656 ( -2.164 8.338 4.970) 9.945 18.949 ( 2.778 -9.331 -11.826) 15.318 19.120 ( -1.672 -14.813 -6.301) 16.184 21.822 ( 3.334 -0.680 0.826) 3.502 21.881 ( 3.914 -3.212 -1.351) 5.240 22.157 ( -4.209 -3.367 1.609) 5.625 22.230 ( -4.130 -5.957 -1.074) 7.328 23.788 ( 1.120 -2.137 0.917) 2.581 23.843 ( 1.692 -4.215 -1.262) 4.714 23.918 ( -0.276 -1.747 1.381) 2.245 23.961 ( 0.586 -3.065 -0.408) 3.148 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 4.721 7.912 1.086) 9.277 2.877 ( -5.677 9.085 0.728) 10.738 2.934 ( 4.282 1.087 -5.689) 7.203 3.016 ( -3.157 4.612 -3.142) 6.411 3.068 ( 0.762 6.581 0.349) 6.634 3.106 ( -1.775 9.415 0.407) 9.590 3.278 ( 3.114 3.229 0.403) 4.504 3.339 ( -2.881 5.091 -1.182) 5.968 3.382 ( 2.419 -1.319 0.150) 2.759 3.433 ( 2.560 -3.366 0.812) 4.306 3.472 ( -1.829 -0.891 2.518) 3.237 3.536 ( -3.677 -2.989 1.556) 4.988 3.788 ( 4.901 1.121 0.932) 5.113 3.819 ( 4.107 1.362 -0.234) 4.334 3.895 ( -1.170 -2.657 1.944) 3.494 3.951 ( -4.488 -3.843 0.092) 5.909 4.394 ( 5.588 5.512 5.826) 9.775 4.420 ( 1.220 4.198 4.944) 6.600 4.488 ( -4.893 5.747 7.018) 10.306 4.564 ( -10.416 1.926 5.967) 12.158 5.194 ( 8.158 7.643 -6.161) 12.764 5.250 ( 5.022 5.209 -5.218) 8.921 5.297 ( -0.320 5.794 -5.094) 7.721 5.324 ( -0.243 3.962 -7.395) 8.393 5.781 ( -1.434 4.488 1.310) 4.891 5.800 ( -3.332 2.498 0.826) 4.246 5.885 ( 0.062 -1.599 -2.056) 2.605 5.917 ( -3.059 -1.308 -3.445) 4.789 7.160 ( 2.180 6.423 1.584) 6.965 7.213 ( -3.336 6.656 3.685) 8.307 7.260 ( 5.525 0.644 -1.778) 5.840 7.354 ( -2.365 0.287 1.583) 2.860 7.564 ( 7.693 7.647 2.908) 11.230 7.646 ( 1.663 7.248 -3.058) 8.040 7.852 ( 2.788 5.828 2.534) 6.939 7.916 ( -0.978 6.379 7.519) 9.909 7.971 ( 1.181 4.527 4.342) 6.383 8.106 ( -8.326 6.143 7.801) 12.958 8.582 ( 3.655 -10.588 -7.713) 13.600 8.668 ( -4.262 -12.700 -7.848) 15.525 9.016 ( 4.813 10.258 2.071) 11.519 9.095 ( -3.072 8.690 3.148) 9.740 9.177 ( 4.741 4.138 -0.734) 6.335 9.282 ( -4.912 -0.011 -2.577) 5.547 9.487 ( 5.107 -2.752 -4.829) 7.548 9.545 ( -0.603 -5.299 -8.016) 9.628 9.665 ( 4.595 -6.880 -10.204) 13.136 9.751 ( -1.922 -7.696 -9.022) 12.014 9.914 ( 8.799 2.852 0.458) 9.261 9.969 ( 3.853 0.696 -0.679) 3.973 10.045 ( 3.109 3.538 1.037) 4.822 10.126 ( 3.322 -2.105 -2.893) 4.882 10.251 ( -7.611 4.703 1.505) 9.073 10.368 ( -13.975 6.161 1.042) 15.308 10.432 ( 0.378 -2.702 3.888) 4.749 10.620 ( -14.909 -3.548 -3.520) 15.725 11.044 ( 3.391 7.576 9.201) 12.392 11.097 ( -1.717 5.782 13.098) 14.420 11.426 ( 4.973 -1.918 3.520) 6.387 11.494 ( -1.171 -3.199 4.000) 5.254 11.822 ( 8.900 6.974 -7.064) 13.332 11.843 ( 0.979 3.390 -13.804) 14.248 11.925 ( -4.901 12.053 -0.188) 13.013 12.074 ( -11.532 8.059 -5.013) 14.936 12.609 ( 5.721 3.686 7.772) 10.331 12.680 ( 4.209 4.726 3.965) 7.468 12.705 ( -4.099 3.552 7.751) 9.460 12.756 ( -3.658 4.261 5.608) 7.936 13.233 ( 1.226 5.485 8.659) 10.323 13.254 ( -0.825 2.459 8.408) 8.799 13.522 ( 4.250 -8.562 2.611) 9.909 13.573 ( -1.151 -8.934 2.025) 9.232 14.824 ( 3.566 -3.411 8.208) 9.577 14.861 ( 7.437 -4.720 3.473) 9.469 14.889 ( -1.970 -1.961 7.702) 8.188 15.022 ( -7.196 -7.892 2.077) 10.880 15.595 ( 5.208 7.337 -29.999) 31.319 15.692 ( -4.357 4.779 -27.527) 28.276 15.765 ( 1.111 -0.604 -26.506) 26.536 15.791 ( -1.298 -0.053 -25.800) 25.832 17.083 ( 2.674 3.352 19.299) 19.770 17.106 ( 1.326 2.890 18.743) 19.010 17.147 ( 0.801 2.335 18.303) 18.469 17.244 ( -7.003 -2.293 17.502) 18.990 18.575 ( 1.529 11.491 1.304) 11.665 18.611 ( -2.187 10.519 2.763) 11.094 19.011 ( 3.406 -11.495 -10.070) 15.657 19.074 ( -2.948 -13.445 -8.171) 16.007 21.912 ( 5.540 -0.948 0.813) 5.679 21.972 ( 3.685 -2.707 -1.711) 4.882 22.062 ( -3.757 -3.948 1.894) 5.770 22.126 ( -6.105 -5.703 -0.793) 8.392 23.819 ( 1.849 -0.512 0.645) 2.024 23.850 ( -1.018 -0.063 -0.480) 1.127 23.935 ( 1.746 -6.117 0.716) 6.401 23.962 ( -0.695 -5.422 -0.256) 5.472 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 -1.403 -0.192) 1.416 2.743 ( 0.000 1.403 -0.192) 1.416 3.107 ( 0.000 -1.783 2.314) 2.921 3.107 ( 0.000 1.783 2.314) 2.921 3.148 ( 0.000 -2.922 -0.449) 2.956 3.148 ( 0.000 2.922 -0.449) 2.956 3.244 ( 0.000 -1.153 -4.436) 4.584 3.244 ( 0.000 1.153 -4.436) 4.584 3.520 ( 0.000 -4.403 2.759) 5.196 3.520 ( 0.000 4.403 2.759) 5.196 3.552 ( 0.000 -2.746 0.328) 2.765 3.552 ( 0.000 2.746 0.328) 2.765 3.664 ( 0.000 -1.849 2.422) 3.048 3.664 ( 0.000 1.850 2.422) 3.048 3.927 ( 0.000 -3.526 2.875) 4.550 3.927 ( 0.000 3.526 2.875) 4.550 4.478 ( 0.000 -2.385 1.666) 2.909 4.478 ( 0.000 2.385 1.666) 2.909 4.877 ( 0.000 -5.668 -5.417) 7.840 4.877 ( 0.000 5.668 -5.417) 7.841 4.944 ( 0.000 -1.462 4.104) 4.356 4.944 ( 0.000 1.462 4.104) 4.356 5.286 ( 0.000 -1.443 -3.064) 3.387 5.286 ( 0.000 1.443 -3.064) 3.387 5.934 ( 0.000 -1.258 -0.134) 1.265 5.934 ( 0.000 1.258 -0.134) 1.265 5.976 ( 0.000 -4.685 -3.586) 5.900 5.976 ( 0.000 4.685 -3.586) 5.900 7.188 ( 0.000 -4.155 1.145) 4.310 7.188 ( 0.000 4.155 1.145) 4.310 7.318 ( 0.000 -1.112 -0.618) 1.272 7.318 ( 0.000 1.112 -0.618) 1.273 7.558 ( 0.000 -11.436 2.492) 11.704 7.558 ( 0.000 11.436 2.492) 11.704 7.880 ( 0.000 -4.431 0.914) 4.524 7.880 ( 0.000 4.431 0.914) 4.524 8.224 ( 0.000 -17.391 2.780) 17.612 8.224 ( 0.000 17.391 2.780) 17.612 8.436 ( 0.000 -9.575 3.034) 10.044 8.436 ( 0.000 9.575 3.034) 10.044 9.059 ( 0.000 -4.022 2.679) 4.833 9.059 ( 0.000 4.022 2.679) 4.833 9.344 ( 0.000 -8.182 -6.442) 10.414 9.344 ( 0.000 8.182 -6.442) 10.414 9.412 ( 0.000 -3.441 -8.035) 8.741 9.412 ( 0.000 3.441 -8.036) 8.741 9.556 ( 0.000 -11.286 -2.141) 11.488 9.556 ( 0.000 11.286 -2.141) 11.488 9.824 ( 0.000 -2.098 0.108) 2.101 9.824 ( 0.000 2.098 0.108) 2.101 9.962 ( 0.000 -2.697 -13.153) 13.426 9.962 ( 0.000 2.697 -13.153) 13.426 10.634 ( 0.000 -0.115 9.666) 9.667 10.634 ( 0.000 0.115 9.666) 9.667 10.964 ( 0.000 -1.823 1.054) 2.106 10.964 ( 0.000 1.823 1.054) 2.106 11.133 ( 0.000 -12.483 -0.315) 12.487 11.133 ( 0.000 12.483 -0.315) 12.487 11.226 ( 0.000 -11.468 12.983) 17.322 11.226 ( 0.000 11.468 12.983) 17.323 11.765 ( 0.000 -5.932 -11.087) 12.574 11.765 ( 0.000 5.932 -11.087) 12.574 12.465 ( 0.000 -4.131 -6.519) 7.718 12.465 ( 0.000 4.132 -6.518) 7.717 12.473 ( 0.000 -7.658 8.793) 11.660 12.473 ( 0.000 7.658 8.793) 11.660 12.844 ( 0.000 -2.428 6.442) 6.885 12.844 ( 0.000 2.428 6.442) 6.885 13.247 ( 0.000 -2.437 5.800) 6.291 13.247 ( 0.000 2.437 5.800) 6.291 13.399 ( 0.000 -9.032 7.360) 11.650 13.399 ( 0.000 9.032 7.360) 11.650 14.650 ( 0.000 -3.236 7.300) 7.985 14.650 ( 0.000 3.236 7.300) 7.985 15.014 ( 0.000 -5.912 5.170) 7.853 15.014 ( 0.000 5.912 5.170) 7.854 15.651 ( 0.000 -6.784 -31.343) 32.069 15.651 ( 0.000 6.784 -31.343) 32.069 15.830 ( 0.000 -0.213 -26.323) 26.324 15.830 ( 0.000 0.213 -26.323) 26.324 17.065 ( 0.000 -2.193 22.527) 22.634 17.065 ( 0.000 2.194 22.527) 22.634 17.300 ( 0.000 -6.633 15.389) 16.757 17.300 ( 0.000 6.633 15.389) 16.757 18.750 ( 0.000 -9.394 -5.786) 11.033 18.750 ( 0.000 9.394 -5.786) 11.033 18.870 ( 0.000 -11.974 -2.191) 12.173 18.870 ( 0.000 11.974 -2.191) 12.173 21.797 ( 0.000 -1.399 0.159) 1.408 21.797 ( 0.000 1.399 0.159) 1.408 22.182 ( 0.000 -2.166 -0.151) 2.171 22.182 ( 0.000 2.166 -0.151) 2.171 23.757 ( 0.000 -0.951 0.157) 0.964 23.757 ( 0.000 0.951 0.158) 0.964 23.928 ( 0.000 -0.671 0.170) 0.692 23.928 ( 0.000 0.671 0.170) 0.693 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 4.425 -3.787 -0.891) 5.892 2.789 ( 4.425 3.788 -0.891) 5.892 3.083 ( -3.302 -2.606 1.427) 4.442 3.083 ( -3.302 2.606 1.427) 4.442 3.150 ( 2.070 -3.783 -1.272) 4.496 3.150 ( 2.070 3.783 -1.272) 4.496 3.276 ( 2.241 -4.427 -2.549) 5.578 3.276 ( 2.241 4.427 -2.549) 5.578 3.483 ( -2.995 -4.497 2.373) 5.901 3.483 ( -2.995 4.497 2.373) 5.901 3.515 ( -3.473 -4.462 0.881) 5.723 3.515 ( -3.473 4.462 0.881) 5.723 3.717 ( 4.466 -1.635 1.659) 5.037 3.717 ( 4.466 1.635 1.659) 5.037 3.925 ( -0.442 -2.928 2.467) 3.854 3.925 ( -0.442 2.928 2.467) 3.854 4.451 ( -1.768 -2.145 2.236) 3.567 4.451 ( -1.768 2.145 2.236) 3.567 4.727 ( -8.747 -4.321 3.194) 10.266 4.727 ( -8.747 4.321 3.194) 10.266 5.111 ( 10.011 -2.987 -3.629) 11.059 5.111 ( 10.011 2.987 -3.629) 11.059 5.321 ( 2.966 -0.856 -3.931) 4.998 5.321 ( 2.966 0.856 -3.931) 4.998 5.900 ( -3.091 -0.970 -0.016) 3.240 5.900 ( -3.091 0.970 -0.016) 3.240 5.940 ( -3.306 -4.254 -3.031) 6.182 5.940 ( -3.306 4.254 -3.031) 6.182 7.201 ( 1.414 -1.975 -1.286) 2.749 7.201 ( 1.414 1.975 -1.286) 2.749 7.379 ( 2.394 -1.173 4.660) 5.369 7.379 ( 2.394 1.173 4.660) 5.369 7.526 ( 1.429 -9.079 -0.502) 9.204 7.526 ( 1.429 9.079 -0.502) 9.204 7.924 ( 2.575 -5.181 1.065) 5.883 7.924 ( 2.575 5.181 1.065) 5.883 8.216 ( -0.482 -18.195 3.836) 18.601 8.216 ( -0.482 18.195 3.836) 18.601 8.417 ( -2.330 -12.552 3.117) 13.141 8.417 ( -2.330 12.552 3.117) 13.141 9.106 ( 4.244 -4.579 1.780) 6.492 9.106 ( 4.244 4.580 1.780) 6.492 9.320 ( -2.520 -5.448 -3.852) 7.132 9.320 ( -2.520 5.448 -3.852) 7.132 9.427 ( 2.284 -4.430 -10.471) 11.597 9.427 ( 2.284 4.430 -10.471) 11.597 9.583 ( 1.709 -8.022 -6.561) 10.503 9.583 ( 1.709 8.022 -6.561) 10.503 9.856 ( 3.787 -2.425 0.395) 4.514 9.856 ( 3.787 2.425 0.395) 4.514 9.985 ( 3.002 -3.556 -8.578) 9.759 9.985 ( 3.002 3.556 -8.578) 9.759 10.524 ( -9.733 -2.083 9.106) 13.490 10.524 ( -9.733 2.083 9.106) 13.490 10.817 ( -12.813 -6.519 -0.388) 14.381 10.817 ( -12.813 6.519 -0.388) 14.381 11.172 ( 2.870 -11.080 1.654) 11.565 11.172 ( 2.870 11.080 1.654) 11.565 11.278 ( 3.010 -13.254 10.812) 17.368 11.278 ( 3.010 13.254 10.812) 17.368 11.794 ( 3.531 -3.740 -9.760) 11.032 11.794 ( 3.531 3.741 -9.760) 11.032 12.295 ( -9.799 -6.857 0.237) 11.962 12.295 ( -9.799 6.857 0.237) 11.962 12.601 ( 5.802 -4.641 3.048) 8.031 12.601 ( 5.802 4.641 3.048) 8.031 12.826 ( -1.766 -2.386 6.517) 7.161 12.826 ( -1.766 2.386 6.517) 7.161 13.283 ( 3.192 -3.991 5.518) 7.521 13.283 ( 3.192 3.991 5.518) 7.521 13.399 ( -0.156 -8.819 6.935) 11.220 13.399 ( -0.156 8.819 6.935) 11.220 14.693 ( 4.208 -1.986 6.827) 8.262 14.693 ( 4.208 1.987 6.827) 8.262 14.986 ( -2.851 -5.312 5.123) 7.911 14.986 ( -2.851 5.312 5.123) 7.911 15.670 ( 1.831 -6.049 -30.752) 31.395 15.670 ( 1.831 6.049 -30.752) 31.395 15.815 ( -1.557 -0.888 -26.750) 26.810 15.815 ( -1.557 0.889 -26.750) 26.810 17.080 ( 1.535 -1.788 21.958) 22.084 17.080 ( 1.535 1.788 21.958) 22.084 17.269 ( -3.008 -5.329 16.182) 17.301 17.269 ( -3.008 5.330 16.182) 17.301 18.763 ( 1.209 -9.798 -5.480) 11.291 18.763 ( 1.209 9.798 -5.480) 11.291 18.859 ( -1.081 -11.854 -2.606) 12.185 18.859 ( -1.081 11.854 -2.606) 12.185 21.831 ( 3.422 -1.627 0.139) 3.792 21.831 ( 3.422 1.627 0.139) 3.792 22.141 ( -3.983 -2.188 -0.113) 4.546 22.141 ( -3.983 2.188 -0.113) 4.546 23.782 ( 2.314 -1.491 0.158) 2.758 23.782 ( 2.314 1.491 0.158) 2.758 23.919 ( -1.015 -1.257 0.168) 1.625 23.919 ( -1.015 1.257 0.168) 1.625 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 5.826 -4.597 -2.032) 7.694 2.894 ( 5.826 4.597 -2.032) 7.694 3.001 ( -4.946 -3.710 -1.458) 6.353 3.001 ( -4.946 3.710 -1.458) 6.353 3.222 ( 4.821 -6.376 0.595) 8.016 3.222 ( 4.821 6.376 0.595) 8.016 3.297 ( -1.271 -7.672 -0.563) 7.797 3.297 ( -1.271 7.672 -0.563) 7.797 3.425 ( -1.791 -2.999 1.666) 3.870 3.425 ( -1.791 2.999 1.666) 3.870 3.445 ( -2.941 -5.214 1.248) 6.115 3.445 ( -2.941 5.214 1.248) 6.115 3.812 ( 4.927 -1.234 0.321) 5.089 3.812 ( 4.927 1.234 0.321) 5.089 3.894 ( -3.083 -1.789 0.799) 3.653 3.894 ( -3.083 1.789 0.799) 3.653 4.456 ( 3.072 -0.684 4.941) 5.859 4.456 ( 3.072 0.684 4.941) 5.859 4.565 ( -7.537 -2.008 6.166) 9.942 4.565 ( -7.537 2.008 6.166) 9.942 5.286 ( 7.222 -1.560 -6.166) 9.624 5.286 ( 7.222 1.560 -6.166) 9.624 5.361 ( -0.158 -0.578 -5.850) 5.881 5.361 ( -0.158 0.579 -5.850) 5.881 5.846 ( -1.330 -2.348 -0.005) 2.698 5.846 ( -1.330 2.348 -0.005) 2.699 5.869 ( -3.248 -3.647 -1.106) 5.007 5.869 ( -3.248 3.647 -1.106) 5.007 7.245 ( 3.165 -2.332 -0.906) 4.034 7.245 ( 3.165 2.332 -0.906) 4.035 7.324 ( -4.733 -3.772 1.804) 6.315 7.324 ( -4.733 3.772 1.804) 6.315 7.700 ( 12.168 -4.533 2.609) 13.244 7.700 ( 12.168 4.533 2.609) 13.244 7.898 ( -6.451 -4.245 1.927) 7.959 7.898 ( -6.451 4.245 1.927) 7.959 8.241 ( 3.734 -17.860 3.814) 18.641 8.241 ( 3.734 17.860 3.814) 18.641 8.339 ( -5.326 -15.571 2.658) 16.670 8.339 ( -5.326 15.571 2.658) 16.670 9.189 ( 3.888 -4.731 0.026) 6.124 9.189 ( 3.888 4.731 0.026) 6.124 9.259 ( -3.419 -4.554 -1.609) 5.918 9.259 ( -3.419 4.554 -1.609) 5.918 9.502 ( 4.808 -5.546 -12.814) 14.768 9.502 ( 4.808 5.546 -12.814) 14.768 9.580 ( -2.436 -7.181 -11.549) 13.816 9.580 ( -2.436 7.181 -11.549) 13.816 9.983 ( 8.559 -1.787 0.977) 8.798 9.983 ( 8.559 1.787 0.977) 8.798 10.076 ( 3.341 -1.441 0.579) 3.684 10.076 ( 3.341 1.441 0.579) 3.684 10.350 ( -3.507 -3.986 4.622) 7.039 10.350 ( -3.507 3.986 4.622) 7.039 10.522 ( -15.836 -6.529 -0.929) 17.154 10.522 ( -15.836 6.529 -0.929) 17.154 11.235 ( 3.430 -11.895 3.445) 12.850 11.235 ( 3.430 11.895 3.445) 12.850 11.290 ( -1.687 -13.262 6.751) 14.977 11.290 ( -1.687 13.262 6.751) 14.977 11.914 ( 8.397 -1.709 -5.239) 10.043 11.914 ( 8.397 1.709 -5.239) 10.044 12.099 ( -10.130 -5.406 -1.374) 11.564 12.099 ( -10.130 5.406 -1.374) 11.564 12.700 ( 4.517 -3.400 5.154) 7.651 12.700 ( 4.517 3.400 5.154) 7.651 12.777 ( -3.304 -2.567 6.340) 7.596 12.777 ( -3.304 2.567 6.340) 7.596 13.347 ( 2.899 -6.247 5.419) 8.763 13.347 ( 2.899 6.247 5.419) 8.763 13.387 ( -1.198 -7.909 6.030) 10.017 13.387 ( -1.198 7.909 6.030) 10.017 14.796 ( 5.936 -1.085 5.909) 8.446 14.796 ( 5.936 1.086 5.909) 8.446 14.907 ( -5.107 -3.596 5.273) 8.174 14.907 ( -5.107 3.596 5.273) 8.174 15.717 ( 2.842 -4.248 -29.388) 29.830 15.717 ( 2.842 4.249 -29.388) 29.830 15.772 ( -2.685 -2.279 -27.892) 28.113 15.772 ( -2.685 2.280 -27.892) 28.113 17.126 ( 3.110 -0.770 20.356) 20.607 17.126 ( 3.110 0.771 20.356) 20.607 17.197 ( -4.007 -2.529 18.150) 18.758 17.197 ( -4.007 2.530 18.150) 18.758 18.794 ( 1.855 -10.648 -4.668) 11.774 18.794 ( 1.855 10.649 -4.668) 11.774 18.830 ( -1.786 -11.417 -3.590) 12.101 18.830 ( -1.786 11.417 -3.590) 12.101 21.922 ( 5.687 -1.987 0.075) 6.025 21.922 ( 5.687 1.987 0.075) 6.025 22.040 ( -6.016 -2.174 -0.021) 6.397 22.040 ( -6.016 2.174 -0.021) 6.397 23.836 ( 2.975 -2.013 0.160) 3.596 23.836 ( 2.975 2.013 0.160) 3.596 23.888 ( -2.193 -1.910 0.164) 2.912 23.888 ( -2.193 1.910 0.164) 2.912 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 0.000 -27.600) 27.600 1.255 ( 0.000 0.000 27.600) 27.600 1.527 ( 0.000 0.000 -29.085) 29.085 1.527 ( 0.000 0.000 29.085) 29.085 2.304 ( 0.000 0.000 -27.126) 27.126 2.304 ( 0.000 0.000 27.126) 27.126 2.558 ( 0.000 0.000 -12.571) 12.571 2.558 ( 0.000 0.000 12.571) 12.571 2.700 ( 0.000 0.000 -8.259) 8.259 2.700 ( 0.000 0.000 8.259) 8.259 2.929 ( 0.000 0.000 -9.417) 9.417 2.929 ( 0.000 0.000 9.417) 9.417 3.042 ( 0.000 0.000 -6.003) 6.003 3.042 ( 0.000 0.000 6.003) 6.003 3.260 ( 0.000 0.000 -2.020) 2.020 3.260 ( 0.000 0.000 2.020) 2.020 3.498 ( 0.000 0.000 -8.144) 8.144 3.498 ( 0.000 0.000 8.144) 8.144 3.901 ( 0.000 0.000 -11.868) 11.868 3.901 ( 0.000 0.000 11.868) 11.868 4.526 ( 0.000 0.000 -10.934) 10.934 4.526 ( 0.000 0.000 10.934) 10.934 4.861 ( 0.000 0.000 -0.293) 0.293 4.861 ( 0.000 0.000 0.293) 0.293 4.927 ( 0.000 0.000 -9.516) 9.516 4.927 ( 0.000 0.000 9.516) 9.516 5.191 ( 0.000 0.000 -1.450) 1.450 5.191 ( 0.000 0.000 1.450) 1.450 5.709 ( 0.000 0.000 -4.343) 4.343 5.709 ( 0.000 0.000 4.343) 4.343 6.487 ( 0.000 0.000 -2.157) 2.157 6.487 ( 0.000 0.000 2.157) 2.157 6.972 ( 0.000 0.000 -4.696) 4.696 6.972 ( 0.000 0.000 4.696) 4.696 7.228 ( 0.000 0.000 -0.235) 0.235 7.228 ( 0.000 0.000 0.235) 0.235 7.499 ( 0.000 0.000 -3.901) 3.901 7.499 ( 0.000 0.000 3.901) 3.901 8.068 ( 0.000 0.000 -10.378) 10.378 8.068 ( 0.000 0.000 10.378) 10.378 8.108 ( 0.000 0.000 -1.986) 1.986 8.108 ( 0.000 0.000 1.986) 1.986 8.336 ( 0.000 0.000 -6.742) 6.742 8.336 ( 0.000 0.000 6.742) 6.742 8.941 ( 0.000 0.000 -4.486) 4.486 8.941 ( 0.000 0.000 4.486) 4.486 9.172 ( 0.000 0.000 -2.806) 2.806 9.172 ( 0.000 0.000 2.806) 2.806 9.601 ( 0.000 0.000 -12.567) 12.567 9.601 ( 0.000 0.000 12.567) 12.567 9.728 ( 0.000 0.000 -5.408) 5.408 9.728 ( 0.000 0.000 5.408) 5.408 10.258 ( 0.000 0.000 -4.350) 4.350 10.258 ( 0.000 0.000 4.350) 4.350 10.526 ( 0.000 0.000 -16.973) 16.973 10.526 ( 0.000 0.000 16.973) 16.973 11.081 ( 0.000 0.000 -8.942) 8.942 11.081 ( 0.000 0.000 8.942) 8.942 11.235 ( 0.000 0.000 -17.604) 17.604 11.235 ( 0.000 0.000 17.604) 17.604 11.503 ( 0.000 0.000 -5.737) 5.737 11.503 ( 0.000 0.000 5.737) 5.737 12.004 ( 0.000 0.000 -5.390) 5.390 12.004 ( 0.000 0.000 5.390) 5.390 12.640 ( 0.000 0.000 -22.513) 22.513 12.640 ( 0.000 0.000 22.513) 22.513 13.415 ( 0.000 0.000 -4.047) 4.047 13.415 ( 0.000 0.000 4.047) 4.047 13.543 ( 0.000 0.000 -17.656) 17.656 13.543 ( 0.000 0.000 17.656) 17.656 13.613 ( 0.000 0.000 -16.160) 16.160 13.613 ( 0.000 0.000 16.160) 16.160 14.259 ( 0.000 0.000 -4.316) 4.316 14.259 ( 0.000 0.000 4.316) 4.316 14.960 ( 0.000 0.000 -6.895) 6.895 14.960 ( 0.000 0.000 6.895) 6.895 15.274 ( 0.000 0.000 -2.560) 2.560 15.274 ( 0.000 0.000 2.560) 2.560 15.938 ( 0.000 0.000 -14.749) 14.749 15.938 ( 0.000 0.000 14.749) 14.749 18.025 ( 0.000 0.000 -27.337) 27.337 18.025 ( 0.000 0.000 27.337) 27.337 18.431 ( 0.000 0.000 -2.553) 2.553 18.431 ( 0.000 0.000 2.553) 2.553 18.435 ( 0.000 0.000 -2.583) 2.583 18.435 ( 0.000 0.000 2.583) 2.583 19.953 ( 0.000 0.000 -5.139) 5.139 19.953 ( 0.000 0.000 5.139) 5.139 20.870 ( 0.000 0.000 -6.272) 6.272 20.870 ( 0.000 0.000 6.272) 6.272 21.543 ( 0.000 0.000 -4.492) 4.492 21.543 ( 0.000 0.000 4.492) 4.492 24.051 ( 0.000 0.000 -11.153) 11.153 24.051 ( 0.000 0.000 11.153) 11.153 25.449 ( 0.000 0.000 -13.176) 13.176 25.449 ( 0.000 0.000 13.176) 13.176 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 7.256 0.000 -23.604) 24.694 1.337 ( 7.256 0.000 23.604) 24.694 1.612 ( 8.258 0.000 -25.900) 27.185 1.612 ( 8.258 0.000 25.900) 27.185 2.328 ( -4.842 0.000 -8.124) 9.458 2.328 ( -4.842 0.000 8.124) 9.458 2.567 ( -11.627 0.000 -10.004) 15.338 2.567 ( -11.627 0.000 10.004) 15.338 2.579 ( 10.148 0.000 -30.727) 32.359 2.579 ( 10.148 0.000 30.727) 32.359 2.884 ( -2.743 0.000 -6.404) 6.967 2.884 ( -2.743 0.000 6.404) 6.967 3.059 ( 0.996 0.000 -4.793) 4.895 3.059 ( 0.996 0.000 4.793) 4.895 3.297 ( 3.058 0.000 -1.551) 3.429 3.297 ( 3.058 0.000 1.551) 3.429 3.567 ( 3.644 0.000 -7.769) 8.581 3.567 ( 3.644 0.000 7.769) 8.581 3.882 ( -3.463 0.000 -12.577) 13.046 3.882 ( -3.463 0.000 12.577) 13.046 4.460 ( -3.807 0.000 -9.342) 10.088 4.460 ( -3.807 0.000 9.342) 10.088 4.896 ( 3.429 0.000 -0.671) 3.494 4.896 ( 3.429 0.000 0.671) 3.494 4.919 ( -1.164 0.000 -8.167) 8.249 4.919 ( -1.164 0.000 8.167) 8.249 5.164 ( -2.731 0.000 -1.401) 3.070 5.164 ( -2.731 0.000 1.401) 3.070 5.770 ( 5.316 0.000 -5.508) 7.655 5.770 ( 5.316 0.000 5.508) 7.655 6.393 ( -6.513 0.000 -2.395) 6.940 6.393 ( -6.513 0.000 2.395) 6.940 7.092 ( 6.045 0.000 -6.289) 8.723 7.092 ( 6.045 0.000 6.289) 8.723 7.321 ( 8.743 0.000 -3.959) 9.598 7.321 ( 8.743 0.000 3.959) 9.598 7.587 ( 8.461 0.000 -6.290) 10.543 7.587 ( 8.461 0.000 6.290) 10.543 8.018 ( -1.246 0.000 -5.155) 5.304 8.018 ( -1.246 0.000 5.155) 5.304 8.109 ( 0.138 0.000 -1.598) 1.604 8.109 ( 0.138 0.000 1.598) 1.604 8.329 ( -1.281 0.000 -1.374) 1.879 8.329 ( -1.281 0.000 1.374) 1.879 8.996 ( 5.481 0.000 -3.907) 6.731 8.996 ( 5.481 0.000 3.907) 6.731 9.170 ( -0.190 0.000 -2.235) 2.243 9.170 ( -0.190 0.000 2.235) 2.243 9.530 ( -6.882 0.000 -11.825) 13.682 9.530 ( -6.882 0.000 11.825) 13.682 9.627 ( -9.130 0.000 -3.065) 9.630 9.627 ( -9.130 0.000 3.065) 9.630 10.099 ( -13.977 0.000 -6.535) 15.429 10.099 ( -13.977 0.000 6.535) 15.429 10.600 ( 6.434 0.000 -14.035) 15.439 10.600 ( 6.434 0.000 14.035) 15.439 11.055 ( -2.591 0.000 -8.630) 9.010 11.055 ( -2.591 0.000 8.630) 9.010 11.126 ( -6.546 0.000 -12.492) 14.103 11.126 ( -6.546 0.000 12.492) 14.103 11.648 ( 8.789 0.000 -11.275) 14.296 11.648 ( 8.789 0.000 11.275) 14.296 12.094 ( 8.253 0.000 -7.928) 11.444 12.094 ( 8.253 0.000 7.928) 11.444 12.685 ( 3.851 0.000 -17.087) 17.515 12.685 ( 3.851 0.000 17.087) 17.515 13.400 ( -1.090 0.000 -3.716) 3.873 13.400 ( -1.090 0.000 3.716) 3.873 13.550 ( 0.663 0.000 -17.444) 17.457 13.550 ( 0.663 0.000 17.444) 17.457 13.606 ( -0.635 0.000 -16.234) 16.246 13.606 ( -0.635 0.000 16.234) 16.246 14.300 ( 3.825 0.000 -5.314) 6.547 14.300 ( 3.825 0.000 5.314) 6.547 14.938 ( -3.168 0.000 -6.977) 7.662 14.938 ( -3.168 0.000 6.977) 7.662 15.268 ( 0.091 0.000 -2.418) 2.420 15.268 ( 0.091 0.000 2.418) 2.420 15.886 ( -4.600 0.000 -12.517) 13.336 15.886 ( -4.600 0.000 12.517) 13.336 18.056 ( 2.956 0.000 -24.414) 24.593 18.056 ( 2.956 0.000 24.414) 24.593 18.428 ( -0.178 0.000 -0.742) 0.763 18.428 ( -0.178 0.000 0.742) 0.763 18.438 ( 0.180 0.000 -0.766) 0.787 18.438 ( 0.180 0.000 0.766) 0.787 19.885 ( -7.896 0.000 -8.671) 11.728 19.885 ( -7.896 0.000 8.671) 11.728 20.807 ( -8.352 0.000 -8.276) 11.758 20.807 ( -8.352 0.000 8.276) 11.758 21.113 ( -26.558 0.000 -12.245) 29.245 21.113 ( -26.558 0.000 12.245) 29.245 24.274 ( 14.150 0.000 -14.473) 20.240 24.274 ( 14.150 0.000 14.473) 20.240 25.578 ( 10.956 0.000 -8.953) 14.149 25.578 ( 10.956 0.000 8.953) 14.149 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 5.813 0.000 -11.618) 12.991 1.482 ( 5.813 0.000 11.618) 12.991 1.801 ( 8.767 0.000 -14.555) 16.991 1.801 ( 8.767 0.000 14.555) 16.991 2.152 ( -7.886 0.000 -5.099) 9.390 2.152 ( -7.886 0.000 5.099) 9.390 2.330 ( -10.076 0.000 -8.816) 13.388 2.330 ( -10.076 0.000 8.816) 13.388 2.804 ( 0.725 0.000 -1.163) 1.371 2.804 ( 0.725 0.000 1.163) 1.371 3.008 ( 23.485 0.000 -27.707) 36.321 3.008 ( 23.485 0.000 27.707) 36.321 3.070 ( 0.241 0.000 -1.753) 1.770 3.070 ( 0.241 0.000 1.753) 1.770 3.346 ( 1.452 0.000 -0.572) 1.560 3.346 ( 1.452 0.000 0.572) 1.560 3.474 ( -17.400 0.000 -6.663) 18.633 3.474 ( -17.400 0.000 6.663) 18.633 3.767 ( -3.219 0.000 -8.480) 9.071 3.767 ( -3.219 0.000 8.480) 9.071 4.483 ( 4.117 0.000 -4.129) 5.830 4.483 ( 4.117 0.000 4.129) 5.830 4.875 ( -2.588 0.000 -5.077) 5.699 4.875 ( -2.588 0.000 5.077) 5.699 4.981 ( 4.724 0.000 -0.962) 4.821 4.981 ( 4.724 0.000 0.962) 4.821 5.091 ( -4.298 0.000 -1.183) 4.458 5.091 ( -4.298 0.000 1.183) 4.458 5.869 ( 3.585 0.000 -3.419) 4.954 5.869 ( 3.585 0.000 3.419) 4.954 6.292 ( -3.260 0.000 -2.456) 4.081 6.292 ( -3.260 0.000 2.456) 4.081 7.154 ( 1.333 0.000 -2.379) 2.727 7.154 ( 1.333 0.000 2.379) 2.727 7.386 ( -1.445 0.000 -2.631) 3.001 7.386 ( -1.445 0.000 2.631) 3.001 7.823 ( 14.060 0.000 -6.692) 15.571 7.823 ( 14.060 0.000 6.692) 15.571 8.034 ( -4.312 0.000 -2.032) 4.767 8.034 ( -4.312 0.000 2.032) 4.767 8.112 ( 0.091 0.000 -0.606) 0.613 8.112 ( 0.091 0.000 0.606) 0.613 8.357 ( 6.817 0.000 -3.337) 7.590 8.357 ( 6.817 0.000 3.337) 7.590 9.128 ( 5.732 0.000 -2.525) 6.263 9.128 ( 5.732 0.000 2.525) 6.263 9.173 ( 1.741 0.000 -3.535) 3.940 9.173 ( 1.741 0.000 3.535) 3.940 9.343 ( -10.260 0.000 -5.110) 11.462 9.343 ( -10.260 0.000 5.110) 11.462 9.430 ( -9.366 0.000 -1.485) 9.483 9.430 ( -9.366 0.000 1.485) 9.483 9.861 ( -7.013 0.000 -3.958) 8.052 9.861 ( -7.013 0.000 3.958) 8.052 10.723 ( 4.704 0.000 -7.151) 8.559 10.723 ( 4.704 0.000 7.151) 8.559 10.994 ( -2.814 0.000 -5.486) 6.166 10.994 ( -2.814 0.000 5.486) 6.166 11.037 ( -2.355 0.000 -4.594) 5.162 11.037 ( -2.355 0.000 4.594) 5.162 11.762 ( 2.873 0.000 -4.809) 5.601 11.762 ( 2.873 0.000 4.809) 5.601 12.246 ( 5.133 0.000 -5.222) 7.322 12.246 ( 5.133 0.000 5.222) 7.322 12.749 ( 1.973 0.000 -6.047) 6.360 12.749 ( 1.973 0.000 6.047) 6.360 13.387 ( -0.218 0.000 -1.690) 1.704 13.387 ( -0.218 0.000 1.690) 1.704 13.567 ( 0.999 0.000 -16.119) 16.150 13.567 ( 0.999 0.000 16.119) 16.150 13.590 ( -0.982 0.000 -15.657) 15.688 13.590 ( -0.982 0.000 15.657) 15.688 14.385 ( 3.798 0.000 -4.417) 5.825 14.385 ( 3.798 0.000 4.417) 5.825 14.835 ( -5.371 0.000 -5.898) 7.977 14.835 ( -5.371 0.000 5.898) 7.977 15.290 ( 1.409 0.000 -1.028) 1.744 15.290 ( 1.409 0.000 1.028) 1.744 15.803 ( -2.827 0.000 -4.826) 5.593 15.803 ( -2.827 0.000 4.826) 5.593 18.117 ( 2.356 0.000 -11.366) 11.608 18.117 ( 2.356 0.000 11.366) 11.608 18.426 ( -0.071 0.000 -0.181) 0.194 18.426 ( -0.071 0.000 0.181) 0.194 18.440 ( 0.072 0.000 -0.190) 0.203 18.440 ( 0.072 0.000 0.190) 0.203 19.675 ( -9.307 0.000 -8.643) 12.701 19.675 ( -9.307 0.000 8.643) 12.701 20.588 ( -6.804 0.000 -5.113) 8.511 20.588 ( -6.804 0.000 5.113) 8.511 20.886 ( -3.033 0.000 -3.398) 4.555 20.886 ( -3.033 0.000 3.398) 4.555 24.450 ( 4.071 0.000 -5.944) 7.204 24.450 ( 4.071 0.000 5.944) 7.204 25.759 ( 5.525 0.000 -2.886) 6.234 25.759 ( 5.525 0.000 2.886) 6.234 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 9.484 -15.861) 18.480 1.368 ( 0.000 9.484 15.861) 18.480 1.504 ( 0.000 3.867 -20.062) 20.431 1.504 ( 0.000 3.867 20.062) 20.431 2.448 ( 0.000 5.085 -2.366) 5.609 2.448 ( 0.000 5.085 2.366) 5.609 2.681 ( 0.000 18.838 -28.330) 34.022 2.681 ( 0.000 18.838 28.330) 34.022 2.826 ( 0.000 10.913 -6.475) 12.690 2.826 ( 0.000 10.913 6.475) 12.690 2.964 ( 0.000 4.037 -10.191) 10.961 2.964 ( 0.000 4.037 10.191) 10.961 3.065 ( 0.000 2.085 -3.251) 3.862 3.065 ( 0.000 2.085 3.251) 3.862 3.340 ( 0.000 7.200 -0.061) 7.201 3.340 ( 0.000 7.200 0.061) 7.201 3.530 ( 0.000 2.317 -5.081) 5.584 3.530 ( 0.000 2.317 5.081) 5.584 3.846 ( 0.000 -1.353 -11.279) 11.360 3.846 ( 0.000 -1.353 11.279) 11.360 4.517 ( 0.000 -0.170 -11.219) 11.221 4.517 ( 0.000 -0.170 11.219) 11.221 4.863 ( 0.000 -0.901 -10.205) 10.244 4.863 ( 0.000 -0.901 10.205) 10.244 5.234 ( 0.000 26.476 -2.162) 26.564 5.234 ( 0.000 26.476 2.162) 26.564 5.459 ( 0.000 25.430 -2.265) 25.531 5.459 ( 0.000 25.430 2.265) 25.531 5.754 ( 0.000 5.551 -3.315) 6.466 5.754 ( 0.000 5.551 3.315) 6.466 6.413 ( 0.000 -5.130 -0.740) 5.183 6.413 ( 0.000 -5.130 0.740) 5.183 6.966 ( 0.000 -0.199 -4.333) 4.338 6.966 ( 0.000 -0.199 4.333) 4.338 7.245 ( 0.000 1.842 -0.063) 1.843 7.245 ( 0.000 1.842 0.063) 1.843 7.459 ( 0.000 -3.081 -4.464) 5.424 7.459 ( 0.000 -3.081 4.464) 5.424 8.049 ( 0.000 1.153 -9.769) 9.837 8.049 ( 0.000 1.153 9.769) 9.837 8.263 ( 0.000 -4.580 -6.792) 8.192 8.263 ( 0.000 -4.580 6.792) 8.192 8.342 ( 0.000 16.835 -2.782) 17.064 8.342 ( 0.000 16.835 2.782) 17.064 9.084 ( 0.000 9.313 -1.020) 9.369 9.084 ( 0.000 9.313 1.020) 9.369 9.114 ( 0.000 -2.953 -0.705) 3.036 9.114 ( 0.000 -2.953 0.705) 3.036 9.580 ( 0.000 2.414 -7.468) 7.849 9.580 ( 0.000 2.414 7.468) 7.849 9.856 ( 0.000 4.382 -1.475) 4.623 9.856 ( 0.000 4.382 1.475) 4.623 10.059 ( 0.000 1.139 -7.594) 7.679 10.059 ( 0.000 1.139 7.594) 7.679 10.814 ( 0.000 -6.575 -0.887) 6.635 10.814 ( 0.000 -6.575 0.887) 6.635 11.019 ( 0.000 15.789 -6.051) 16.909 11.019 ( 0.000 15.789 6.051) 16.909 11.322 ( 0.000 5.312 -7.027) 8.809 11.322 ( 0.000 5.312 7.027) 8.809 11.650 ( 0.000 11.790 -8.014) 14.256 11.650 ( 0.000 11.790 8.014) 14.256 12.093 ( 0.000 8.446 -9.053) 12.381 12.093 ( 0.000 8.446 9.053) 12.381 12.619 ( 0.000 -2.318 -21.477) 21.602 12.619 ( 0.000 -2.318 21.477) 21.602 13.065 ( 0.000 -25.835 -9.339) 27.471 13.065 ( 0.000 -25.835 9.339) 27.471 13.213 ( 0.000 -27.040 -15.330) 31.084 13.213 ( 0.000 -27.040 15.330) 31.084 13.711 ( 0.000 3.275 -10.880) 11.362 13.711 ( 0.000 3.275 10.880) 11.362 14.318 ( 0.000 3.760 -4.467) 5.838 14.318 ( 0.000 3.760 4.467) 5.838 15.233 ( 0.000 21.288 -9.062) 23.137 15.233 ( 0.000 21.288 9.062) 23.137 15.345 ( 0.000 6.883 -3.497) 7.720 15.345 ( 0.000 6.883 3.497) 7.720 15.928 ( 0.000 -0.624 -13.439) 13.454 15.928 ( 0.000 -0.624 13.439) 13.454 17.739 ( 0.000 -21.081 -12.060) 24.286 17.739 ( 0.000 -21.081 12.060) 24.286 17.962 ( 0.000 -35.524 -5.482) 35.945 17.962 ( 0.000 -35.524 5.482) 35.945 18.597 ( 0.000 9.264 -19.497) 21.586 18.597 ( 0.000 9.264 19.497) 21.586 20.257 ( 0.000 16.443 -2.935) 16.703 20.257 ( 0.000 16.443 2.935) 16.703 21.045 ( 0.000 17.480 -3.841) 17.897 21.045 ( 0.000 17.480 3.841) 17.897 21.527 ( 0.000 0.634 -2.645) 2.720 21.527 ( 0.000 0.634 2.645) 2.720 24.006 ( 0.000 -3.842 -10.504) 11.185 24.006 ( 0.000 -3.842 10.504) 11.185 25.320 ( 0.000 -12.403 -11.312) 16.787 25.320 ( 0.000 -12.403 11.312) 16.787 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.134 8.850 -18.196) 21.143 1.431 ( 6.134 8.850 18.196) 21.143 1.624 ( 10.841 4.474 -23.065) 25.875 1.624 ( 10.841 4.474 23.065) 25.875 2.364 ( -8.298 3.204 -4.339) 9.897 2.364 ( -8.298 3.204 4.339) 9.897 2.645 ( -12.595 8.162 -4.330) 15.621 2.645 ( -12.595 8.162 4.330) 15.621 2.787 ( 6.753 15.008 -15.499) 22.607 2.787 ( 6.753 15.008 15.499) 22.607 2.936 ( 1.414 8.568 -13.324) 15.904 2.936 ( 1.414 8.568 13.324) 15.904 3.113 ( 1.549 4.887 -4.402) 6.757 3.113 ( 1.549 4.887 4.402) 6.757 3.370 ( 2.975 6.243 -1.862) 7.162 3.370 ( 2.975 6.243 1.862) 7.162 3.575 ( 2.243 1.305 -6.446) 6.949 3.575 ( 2.243 1.305 6.446) 6.949 3.859 ( -0.286 0.519 -10.950) 10.966 3.859 ( -0.286 0.519 10.950) 10.966 4.461 ( -4.062 0.801 -8.860) 9.779 4.461 ( -4.062 0.801 8.860) 9.779 4.853 ( -0.642 -1.441 -8.011) 8.165 4.853 ( -0.642 -1.441 8.011) 8.165 5.263 ( 2.572 27.463 -2.775) 27.723 5.263 ( 2.572 27.463 2.775) 27.723 5.449 ( -1.336 26.802 -1.828) 26.897 5.449 ( -1.336 26.802 1.828) 26.897 5.793 ( 3.628 3.027 -4.613) 6.604 5.793 ( 3.628 3.027 4.613) 6.604 6.353 ( -4.772 -3.021 -2.584) 6.211 6.353 ( -4.772 -3.021 2.584) 6.211 7.060 ( 6.112 -2.244 -4.912) 8.156 7.060 ( 6.112 -2.244 4.912) 8.156 7.307 ( 5.957 -0.084 -1.958) 6.271 7.307 ( 5.957 -0.084 1.958) 6.271 7.542 ( 8.235 -3.363 -4.774) 10.095 7.542 ( 8.235 -3.363 4.774) 10.095 7.967 ( -5.674 -0.682 -4.076) 7.020 7.967 ( -5.674 -0.682 4.076) 7.020 8.221 ( -3.204 -0.133 -2.140) 3.856 8.221 ( -3.204 -0.133 2.140) 3.856 8.437 ( 7.723 15.735 -4.437) 18.081 8.437 ( 7.723 15.735 4.437) 18.081 9.096 ( -0.105 -3.737 -4.526) 5.870 9.096 ( -0.105 -3.737 4.526) 5.870 9.151 ( 4.669 9.821 -4.083) 11.615 9.151 ( 4.669 9.821 4.083) 11.615 9.493 ( -8.109 1.011 -8.136) 11.531 9.493 ( -8.109 1.011 8.136) 11.531 9.770 ( -8.013 7.993 -3.425) 11.825 9.770 ( -8.013 7.993 3.425) 11.825 10.055 ( -1.743 4.493 -3.983) 6.252 10.055 ( -1.743 4.493 3.983) 6.252 10.791 ( -1.723 -2.297 -2.630) 3.894 10.791 ( -1.723 -2.297 2.630) 3.894 10.927 ( -6.335 5.502 -2.094) 8.648 10.927 ( -6.335 5.502 2.094) 8.648 11.255 ( -5.735 9.368 -3.262) 11.459 11.255 ( -5.735 9.368 3.262) 11.459 11.712 ( 4.721 5.572 -9.658) 12.108 11.712 ( 4.721 5.572 9.658) 12.108 12.202 ( 8.846 8.420 -8.258) 14.742 12.202 ( 8.846 8.420 8.258) 14.742 12.662 ( 3.603 -2.772 -15.385) 16.043 12.662 ( 3.603 -2.772 15.385) 16.043 13.052 ( -1.159 -26.461 -6.806) 27.347 13.052 ( -1.159 -26.461 6.806) 27.347 13.242 ( 2.768 -24.549 -11.693) 27.332 13.242 ( 2.768 -24.549 11.693) 27.332 13.677 ( -2.885 1.740 -9.638) 10.210 13.677 ( -2.885 1.740 9.638) 10.210 14.390 ( 6.585 6.128 -5.684) 10.640 14.390 ( 6.585 6.128 5.684) 10.640 15.188 ( -6.335 17.749 -9.591) 21.146 15.188 ( -6.335 17.749 9.591) 21.146 15.341 ( 1.244 8.807 -3.734) 9.647 15.341 ( 1.244 8.807 3.734) 9.647 15.886 ( -3.682 0.338 -10.845) 11.458 15.886 ( -3.682 0.338 10.845) 11.458 17.750 ( 1.001 -21.721 -10.397) 24.102 17.750 ( 1.001 -21.721 10.397) 24.102 17.958 ( -0.380 -35.475 -4.836) 35.805 17.958 ( -0.380 -35.475 4.836) 35.805 18.625 ( 2.713 10.309 -18.006) 20.925 18.625 ( 2.713 10.309 18.006) 20.925 20.188 ( -8.413 14.109 -8.540) 18.514 20.188 ( -8.413 14.109 8.540) 18.514 20.972 ( -10.591 17.787 -5.593) 21.443 20.972 ( -10.591 17.787 5.593) 21.443 21.184 ( -18.980 9.589 -9.797) 23.413 21.184 ( -18.980 9.589 9.797) 23.413 24.208 ( 13.427 -6.103 -13.345) 19.890 24.208 ( 13.427 -6.103 13.345) 19.890 25.430 ( 9.538 -14.176 -7.872) 18.812 25.430 ( 9.538 -14.176 7.872) 18.812 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 5.929 8.754 -9.727) 14.367 1.567 ( 5.929 8.754 9.727) 14.367 1.842 ( 8.413 4.949 -14.212) 17.241 1.842 ( 8.413 4.949 14.212) 17.241 2.213 ( -3.127 5.065 -4.091) 7.223 2.213 ( -3.127 5.065 4.091) 7.223 2.363 ( -13.817 4.458 -7.967) 16.561 2.363 ( -13.817 4.458 7.967) 16.561 2.842 ( -0.297 3.879 -1.026) 4.023 2.842 ( -0.297 3.879 1.026) 4.023 3.118 ( 1.690 5.025 -3.732) 6.483 3.118 ( 1.690 5.025 3.732) 6.483 3.176 ( 17.691 14.581 -20.272) 30.603 3.176 ( 17.691 14.581 20.272) 30.603 3.417 ( 0.408 6.315 -2.303) 6.734 3.417 ( 0.408 6.315 2.303) 6.734 3.533 ( -9.084 6.016 -2.548) 11.189 3.533 ( -9.084 6.016 2.548) 11.189 3.774 ( -5.072 2.918 -9.821) 11.432 3.774 ( -5.072 2.918 9.821) 11.432 4.443 ( 1.570 -1.900 -3.468) 4.255 4.443 ( 1.570 -1.900 3.468) 4.255 4.845 ( -0.258 -1.266 -3.336) 3.577 4.845 ( -0.258 -1.266 3.336) 3.577 5.318 ( 2.775 28.761 -2.460) 28.999 5.318 ( 2.775 28.761 2.460) 28.999 5.404 ( -2.749 28.853 -1.463) 29.020 5.404 ( -2.749 28.853 1.463) 29.020 5.864 ( 2.682 -0.094 -3.045) 4.058 5.864 ( 2.682 -0.094 3.045) 4.058 6.272 ( -2.729 -1.724 -2.059) 3.829 6.272 ( -2.729 -1.724 2.059) 3.829 7.130 ( 1.397 -1.446 -1.892) 2.761 7.130 ( 1.397 -1.446 1.892) 2.761 7.384 ( 0.909 -0.027 -1.941) 2.144 7.384 ( 0.909 -0.027 1.941) 2.144 7.757 ( 11.441 -5.528 -3.516) 13.184 7.757 ( 11.441 -5.528 3.516) 13.184 7.908 ( -0.863 -4.192 -1.127) 4.425 7.908 ( -0.863 -4.192 1.127) 4.425 8.115 ( -6.925 -0.963 -2.712) 7.499 8.115 ( -6.925 -0.963 2.712) 7.499 8.642 ( 11.551 20.048 -4.466) 23.564 8.642 ( 11.551 20.048 4.466) 23.564 9.078 ( -1.919 -7.168 -2.090) 7.709 9.078 ( -1.919 -7.168 2.090) 7.709 9.252 ( 0.832 5.259 -2.365) 5.826 9.252 ( 0.832 5.259 2.365) 5.826 9.309 ( -5.010 5.580 -6.169) 9.710 9.309 ( -5.010 5.580 6.169) 9.710 9.602 ( -7.192 12.105 -3.719) 14.563 9.602 ( -7.192 12.105 3.719) 14.563 9.991 ( -2.930 13.115 -1.438) 13.515 9.991 ( -2.930 13.115 1.438) 13.515 10.781 ( 0.621 2.128 -6.002) 6.399 10.781 ( 0.621 2.128 6.002) 6.399 10.843 ( -2.170 -8.765 -5.258) 10.449 10.843 ( -2.170 -8.765 5.258) 10.449 11.153 ( -3.470 9.905 -1.377) 10.585 11.153 ( -3.470 9.905 1.377) 10.585 11.784 ( 2.074 2.705 -3.837) 5.132 11.784 ( 2.074 2.705 3.837) 5.132 12.347 ( 4.491 6.014 -4.160) 8.582 12.347 ( 4.491 6.014 4.160) 8.582 12.723 ( 2.003 -2.957 -5.258) 6.357 12.723 ( 2.003 -2.957 5.258) 6.357 13.030 ( -0.844 -27.870 -2.398) 27.986 13.030 ( -0.844 -27.870 2.398) 27.986 13.300 ( 2.331 -20.519 -4.475) 21.130 13.300 ( 2.331 -20.519 4.475) 21.130 13.625 ( -1.848 -0.413 -4.554) 4.932 13.625 ( -1.848 -0.413 4.554) 4.932 14.534 ( 6.545 11.092 -5.456) 13.987 14.534 ( 6.545 11.092 5.456) 13.987 15.016 ( -8.261 11.339 -7.546) 15.929 15.016 ( -8.261 11.339 7.546) 15.929 15.385 ( 1.952 11.331 -1.764) 11.633 15.385 ( 1.952 11.331 1.764) 11.633 15.820 ( -2.256 1.819 -3.813) 4.789 15.820 ( -2.256 1.819 3.813) 4.789 17.769 ( 0.689 -22.859 -4.469) 23.302 17.769 ( 0.689 -22.859 4.469) 23.302 17.951 ( -0.282 -35.380 -2.195) 35.449 17.951 ( -0.282 -35.380 2.195) 35.449 18.684 ( 2.440 12.414 -9.124) 15.598 18.684 ( 2.440 12.414 9.124) 15.598 19.954 ( -10.500 10.809 -9.460) 17.793 19.954 ( -10.500 10.809 9.460) 17.793 20.751 ( -5.382 20.684 -3.350) 21.633 20.751 ( -5.382 20.684 3.350) 21.633 21.038 ( -2.256 15.257 -2.320) 15.596 21.038 ( -2.256 15.257 2.320) 15.596 24.381 ( 4.157 -6.648 -5.668) 9.675 24.381 ( 4.157 -6.648 5.668) 9.675 25.593 ( 5.183 -15.960 -2.283) 16.935 25.593 ( 5.183 -15.960 2.283) 16.935 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 15.206 -10.091) 18.250 1.585 ( 0.000 15.206 10.091) 18.250 1.772 ( 0.000 19.674 -8.930) 21.605 1.772 ( 0.000 19.674 8.930) 21.605 2.537 ( 0.000 5.957 -1.275) 6.092 2.537 ( 0.000 5.957 1.275) 6.092 3.025 ( 0.000 10.531 -4.900) 11.615 3.025 ( 0.000 10.531 4.900) 11.615 3.061 ( 0.000 7.876 -2.281) 8.200 3.061 ( 0.000 7.876 2.281) 8.200 3.127 ( 0.000 8.080 -4.181) 9.098 3.127 ( 0.000 8.080 4.181) 9.098 3.213 ( 0.000 23.310 -20.405) 30.980 3.213 ( 0.000 23.310 20.405) 30.980 3.434 ( 0.000 0.818 -6.433) 6.485 3.434 ( 0.000 0.818 6.433) 6.485 3.623 ( 0.000 9.432 -2.060) 9.654 3.623 ( 0.000 9.432 2.060) 9.654 3.941 ( 0.000 9.987 -8.441) 13.077 3.941 ( 0.000 9.987 8.441) 13.077 4.538 ( 0.000 2.495 -11.163) 11.439 4.538 ( 0.000 2.495 11.163) 11.439 4.847 ( 0.000 -0.552 -10.125) 10.141 4.847 ( 0.000 -0.552 10.125) 10.141 5.611 ( 0.000 8.706 -2.520) 9.063 5.611 ( 0.000 8.706 2.520) 9.063 5.950 ( 0.000 9.666 -0.939) 9.712 5.950 ( 0.000 9.666 0.939) 9.712 6.105 ( 0.000 36.203 -1.838) 36.250 6.105 ( 0.000 36.203 1.838) 36.250 6.442 ( 0.000 13.996 -2.822) 14.278 6.442 ( 0.000 13.996 2.822) 14.278 6.974 ( 0.000 1.274 -3.392) 3.623 6.974 ( 0.000 1.274 3.392) 3.623 7.302 ( 0.000 3.963 -2.732) 4.814 7.302 ( 0.000 3.963 2.732) 4.814 7.423 ( 0.000 0.619 -0.846) 1.048 7.423 ( 0.000 0.619 0.846) 1.048 8.096 ( 0.000 3.690 -6.050) 7.086 8.096 ( 0.000 3.690 6.050) 7.086 8.222 ( 0.000 1.740 -6.159) 6.400 8.222 ( 0.000 1.740 6.159) 6.400 8.691 ( 0.000 17.219 -3.754) 17.623 8.691 ( 0.000 17.219 3.754) 17.623 8.988 ( 0.000 -4.376 -4.265) 6.110 8.988 ( 0.000 -4.376 4.265) 6.110 9.325 ( 0.000 11.876 -0.726) 11.898 9.325 ( 0.000 11.876 0.726) 11.898 9.703 ( 0.000 7.189 -2.903) 7.753 9.703 ( 0.000 7.189 2.903) 7.753 9.918 ( 0.000 8.135 -3.488) 8.851 9.918 ( 0.000 8.135 3.488) 8.851 10.304 ( 0.000 15.928 -4.442) 16.536 10.304 ( 0.000 15.928 4.442) 16.536 10.614 ( 0.000 -8.431 -2.403) 8.767 10.614 ( 0.000 -8.431 2.403) 8.767 11.191 ( 0.000 0.631 -7.020) 7.048 11.191 ( 0.000 0.631 7.020) 7.048 11.455 ( 0.000 1.717 -13.028) 13.140 11.455 ( 0.000 1.717 13.028) 13.140 11.869 ( 0.000 9.006 -9.858) 13.353 11.869 ( 0.000 9.006 9.858) 13.353 12.242 ( 0.000 2.693 -6.320) 6.870 12.242 ( 0.000 2.693 6.320) 6.870 12.446 ( 0.000 -21.639 -5.613) 22.355 12.446 ( 0.000 -21.639 5.613) 22.355 12.595 ( 0.000 -12.931 -26.351) 29.353 12.595 ( 0.000 -12.931 26.351) 29.353 12.828 ( 0.000 -4.862 -22.197) 22.723 12.828 ( 0.000 -4.862 22.197) 22.723 13.714 ( 0.000 -2.029 -9.537) 9.750 13.714 ( 0.000 -2.029 9.537) 9.750 14.381 ( 0.000 2.846 -7.008) 7.564 14.381 ( 0.000 2.846 7.008) 7.564 15.396 ( 0.000 0.456 -8.398) 8.410 15.396 ( 0.000 0.456 8.398) 8.410 15.675 ( 0.000 17.426 -8.114) 19.222 15.675 ( 0.000 17.426 8.114) 19.222 15.934 ( 0.000 0.947 -9.229) 9.277 15.934 ( 0.000 0.947 9.229) 9.277 17.308 ( 0.000 -23.284 -4.428) 23.701 17.308 ( 0.000 -23.284 4.428) 23.701 17.376 ( 0.000 -19.355 -1.008) 19.381 17.376 ( 0.000 -19.355 1.008) 19.381 18.701 ( 0.000 1.500 -30.169) 30.206 18.701 ( 0.000 1.500 30.169) 30.206 20.301 ( 0.000 -10.968 -8.458) 13.851 20.301 ( 0.000 -10.968 8.458) 13.851 21.478 ( 0.000 24.020 -1.452) 24.063 21.478 ( 0.000 24.020 1.452) 24.063 21.646 ( 0.000 10.792 -1.712) 10.927 21.646 ( 0.000 10.792 1.712) 10.927 23.938 ( 0.000 -2.541 -7.178) 7.615 23.938 ( 0.000 -2.541 7.178) 7.615 25.004 ( 0.000 -19.089 -8.594) 20.934 25.004 ( 0.000 -19.089 8.594) 20.934 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 7.303 15.239 -7.710) 18.575 1.663 ( 7.303 15.239 7.710) 18.575 1.843 ( 6.805 16.505 -11.031) 20.986 1.843 ( 6.805 16.505 11.031) 20.986 2.469 ( -6.411 7.716 -1.975) 10.224 2.469 ( -6.411 7.716 1.975) 10.224 2.808 ( -16.225 7.642 -5.997) 18.911 2.808 ( -16.225 7.642 5.997) 18.911 2.988 ( -2.257 9.496 -2.729) 10.135 2.988 ( -2.257 9.496 2.729) 10.135 3.218 ( 0.794 5.881 -3.790) 7.041 3.218 ( 0.794 5.881 3.790) 7.041 3.312 ( 8.728 21.941 -18.344) 29.901 3.312 ( 8.728 21.941 18.344) 29.901 3.475 ( 5.201 5.361 -4.965) 8.968 3.475 ( 5.201 5.361 4.965) 8.968 3.672 ( 2.888 9.249 -4.176) 10.551 3.672 ( 2.888 9.249 4.176) 10.551 3.960 ( 1.084 9.206 -9.149) 13.025 3.960 ( 1.084 9.206 9.149) 13.025 4.505 ( -3.078 3.853 -9.045) 10.303 4.505 ( -3.078 3.853 9.045) 10.303 4.832 ( -0.940 -0.719 -8.185) 8.270 4.832 ( -0.940 -0.719 8.185) 8.270 5.668 ( 5.271 7.946 -2.096) 9.764 5.668 ( 5.271 7.946 2.096) 9.764 5.951 ( 0.015 9.741 -0.805) 9.774 5.951 ( 0.015 9.741 0.805) 9.774 6.108 ( 0.274 37.091 -1.985) 37.146 6.108 ( 0.274 37.091 1.985) 37.146 6.398 ( -4.307 14.230 -2.648) 15.101 6.398 ( -4.307 14.230 2.648) 15.101 7.040 ( 5.662 0.450 -3.254) 6.546 7.040 ( 5.662 0.450 3.254) 6.546 7.331 ( 2.744 2.327 -1.844) 4.043 7.331 ( 2.744 2.327 1.844) 4.043 7.500 ( 7.488 0.008 -0.568) 7.509 7.500 ( 7.488 0.008 0.568) 7.509 8.004 ( -6.453 4.920 -1.963) 8.348 8.004 ( -6.453 4.920 1.963) 8.348 8.222 ( -2.044 2.121 -2.964) 4.179 8.222 ( -2.044 2.121 2.964) 4.179 8.763 ( 6.883 14.775 -4.149) 16.819 8.763 ( 6.883 14.775 4.149) 16.819 8.990 ( 0.210 -2.803 -4.045) 4.925 8.990 ( 0.210 -2.803 4.045) 4.926 9.351 ( 1.396 8.386 -1.279) 8.597 9.351 ( 1.396 8.386 1.279) 8.597 9.626 ( -5.644 11.565 -8.120) 15.216 9.626 ( -5.644 11.565 8.120) 15.216 9.909 ( -1.780 9.047 -6.279) 11.156 9.909 ( -1.780 9.047 6.279) 11.156 10.304 ( -0.515 14.514 -5.485) 15.525 10.304 ( -0.515 14.514 5.485) 15.525 10.614 ( 0.705 -6.487 -3.712) 7.507 10.614 ( 0.705 -6.487 3.712) 7.507 11.067 ( -10.126 3.105 -2.308) 10.840 11.067 ( -10.126 3.105 2.308) 10.840 11.415 ( -4.739 1.291 -8.110) 9.481 11.415 ( -4.739 1.291 8.110) 9.481 11.878 ( 1.188 10.388 -8.487) 13.467 11.878 ( 1.188 10.388 8.487) 13.467 12.234 ( -0.080 -9.701 -1.123) 9.766 12.234 ( -0.080 -9.701 1.123) 9.766 12.461 ( 0.400 -22.961 -4.215) 23.349 12.461 ( 0.400 -22.961 4.215) 23.349 12.612 ( 2.371 -7.464 -13.392) 15.514 12.612 ( 2.371 -7.464 13.392) 15.514 12.924 ( 7.905 -2.841 -13.764) 16.125 12.924 ( 7.905 -2.841 13.764) 16.125 13.659 ( -4.653 -2.718 -8.198) 9.810 13.659 ( -4.653 -2.718 8.198) 9.810 14.488 ( 9.917 4.008 -8.275) 13.524 14.488 ( 9.917 4.008 8.275) 13.524 15.334 ( -7.129 0.733 -10.661) 12.845 15.334 ( -7.129 0.733 10.661) 12.845 15.667 ( 0.065 16.895 -6.826) 18.222 15.667 ( 0.065 16.895 6.826) 18.222 15.911 ( -2.057 1.749 -6.940) 7.447 15.911 ( -2.057 1.749 6.940) 7.447 17.312 ( 0.346 -24.090 -4.100) 24.439 17.312 ( 0.346 -24.090 4.100) 24.439 17.374 ( -0.213 -18.726 -1.451) 18.783 17.374 ( -0.213 -18.726 1.451) 18.783 18.738 ( 3.567 1.482 -27.330) 27.602 18.738 ( 3.567 1.482 27.330) 27.602 20.171 ( -12.634 -12.320 -14.420) 22.789 20.171 ( -12.634 -12.320 14.420) 22.789 21.433 ( -6.771 24.411 -2.974) 25.507 21.433 ( -6.771 24.411 2.974) 25.507 21.498 ( -7.489 20.388 -5.520) 22.411 21.498 ( -7.489 20.388 5.520) 22.411 24.075 ( 10.092 -6.581 -10.193) 15.782 24.075 ( 10.092 -6.581 10.193) 15.782 25.076 ( 6.517 -20.817 -6.867) 22.868 25.076 ( 6.517 -20.817 6.867) 22.868 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 5.594 15.353 -4.477) 16.943 1.810 ( 5.594 15.353 4.477) 16.943 2.009 ( 8.597 11.883 -12.890) 19.526 2.009 ( 8.597 11.883 12.890) 19.526 2.341 ( -4.706 8.578 -5.288) 11.121 2.341 ( -4.706 8.578 5.288) 11.121 2.501 ( -12.985 8.836 -6.028) 16.823 2.501 ( -12.985 8.836 6.028) 16.823 2.963 ( -0.557 8.443 -0.663) 8.488 2.963 ( -0.557 8.443 0.663) 8.488 3.211 ( -0.448 4.315 -1.833) 4.710 3.211 ( -0.448 4.315 1.833) 4.710 3.492 ( 7.602 13.800 -8.824) 18.058 3.492 ( 7.602 13.800 8.824) 18.058 3.573 ( 2.869 10.650 -3.692) 11.631 3.573 ( 2.869 10.650 3.692) 11.631 3.715 ( 2.526 12.955 -8.657) 15.785 3.715 ( 2.526 12.955 8.657) 15.785 3.924 ( -4.792 11.692 -9.928) 16.070 3.924 ( -4.792 11.692 9.928) 16.070 4.453 ( -1.351 3.276 -3.101) 4.709 4.453 ( -1.351 3.276 3.101) 4.709 4.825 ( 0.073 -0.842 -2.840) 2.963 4.825 ( 0.073 -0.842 2.840) 2.963 5.783 ( 5.354 4.361 -1.836) 7.146 5.783 ( 5.354 4.361 1.836) 7.146 5.929 ( -2.497 15.360 -1.884) 15.675 5.929 ( -2.497 15.360 1.884) 15.675 6.129 ( 1.831 37.597 -1.208) 37.661 6.129 ( 1.831 37.597 1.208) 37.661 6.301 ( -4.336 11.854 -1.650) 12.729 6.301 ( -4.336 11.854 1.650) 12.729 7.134 ( 2.838 2.034 -1.504) 3.802 7.134 ( 2.838 2.034 1.504) 3.802 7.382 ( 1.711 -0.374 -0.880) 1.961 7.382 ( 1.711 -0.374 0.880) 1.961 7.678 ( 8.732 -1.433 -0.348) 8.856 7.678 ( 8.732 -1.433 0.348) 8.856 7.901 ( -3.864 3.116 -1.282) 5.127 7.901 ( -3.864 3.116 1.282) 5.127 8.141 ( -4.556 5.196 -1.455) 7.062 8.141 ( -4.556 5.196 1.455) 7.062 8.902 ( 4.032 -0.435 -1.484) 4.318 8.902 ( 4.032 -0.435 1.484) 4.318 9.034 ( 6.695 10.350 -3.178) 12.730 9.034 ( 6.695 10.350 3.178) 12.730 9.282 ( -8.681 2.659 -1.074) 9.142 9.282 ( -8.681 2.659 1.074) 9.142 9.581 ( 0.975 17.259 -4.109) 17.768 9.581 ( 0.975 17.259 4.109) 17.768 9.859 ( -2.237 14.073 -4.030) 14.809 9.859 ( -2.237 14.073 4.030) 14.809 10.277 ( -1.480 9.829 -1.924) 10.125 10.277 ( -1.480 9.829 1.924) 10.125 10.654 ( 2.508 -1.047 -2.551) 3.728 10.654 ( 2.508 -1.047 2.551) 3.728 10.889 ( -6.193 3.532 -0.977) 7.196 10.889 ( -6.193 3.532 0.977) 7.196 11.314 ( -3.782 2.198 -3.320) 5.492 11.314 ( -3.782 2.198 3.320) 5.492 11.903 ( 0.922 8.707 -3.266) 9.345 11.903 ( 0.922 8.707 3.266) 9.345 12.239 ( 0.254 -19.403 -1.880) 19.495 12.239 ( 0.254 -19.403 1.880) 19.495 12.458 ( -0.261 -25.068 -2.009) 25.149 12.458 ( -0.261 -25.068 2.009) 25.149 12.666 ( 2.114 -2.560 -2.680) 4.267 12.666 ( 2.114 -2.560 2.680) 4.267 13.060 ( 4.471 -1.299 -4.735) 6.641 13.060 ( 4.471 -1.299 4.735) 6.641 13.576 ( -2.883 -3.850 -3.620) 6.019 13.576 ( -2.883 -3.850 3.620) 6.019 14.712 ( 11.041 6.571 -8.642) 15.485 14.712 ( 11.041 6.571 8.642) 15.485 15.133 ( -10.987 1.870 -10.309) 15.182 15.133 ( -10.987 1.870 10.309) 15.182 15.689 ( 1.486 15.317 -3.109) 15.700 15.689 ( 1.486 15.317 3.109) 15.700 15.868 ( -1.749 2.378 -2.508) 3.874 15.868 ( -1.749 2.378 2.508) 3.874 17.318 ( 0.200 -25.785 -1.932) 25.858 17.318 ( 0.200 -25.785 1.932) 25.858 17.370 ( -0.121 -17.329 -0.925) 17.354 17.370 ( -0.121 -17.329 0.925) 17.354 18.815 ( 3.136 1.373 -13.446) 13.875 18.815 ( 3.136 1.373 13.446) 13.875 19.914 ( -9.557 -10.713 -10.811) 17.971 19.914 ( -9.557 -10.713 10.811) 17.971 21.300 ( -3.499 29.148 -1.922) 29.420 21.300 ( -3.499 29.148 1.922) 29.420 21.433 ( -1.526 23.236 -1.456) 23.332 21.433 ( -1.526 23.236 1.456) 23.332 24.217 ( 3.735 -9.322 -4.741) 11.105 24.217 ( 3.735 -9.322 4.741) 11.105 25.195 ( 4.003 -23.258 -2.278) 23.710 25.195 ( 4.003 -23.258 2.278) 23.710 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 21.363 -5.910) 22.166 1.955 ( 0.000 21.363 5.910) 22.166 2.177 ( 0.000 20.355 -8.126) 21.917 2.177 ( 0.000 20.355 8.126) 21.917 2.684 ( 0.000 8.818 -1.922) 9.025 2.684 ( 0.000 8.818 1.922) 9.025 3.167 ( 0.000 4.583 -0.390) 4.599 3.167 ( 0.000 4.583 0.390) 4.599 3.203 ( 0.000 7.987 -3.093) 8.565 3.203 ( 0.000 7.987 3.093) 8.565 3.286 ( 0.000 6.326 -7.686) 9.954 3.286 ( 0.000 6.326 7.686) 9.954 3.449 ( 0.000 2.708 -3.189) 4.184 3.449 ( 0.000 2.708 3.189) 4.184 3.657 ( 0.000 18.445 -3.471) 18.769 3.657 ( 0.000 18.445 3.471) 18.769 3.893 ( 0.000 17.894 -9.194) 20.118 3.893 ( 0.000 17.894 9.194) 20.118 4.158 ( 0.000 10.842 -10.229) 14.906 4.158 ( 0.000 10.842 10.229) 14.906 4.619 ( 0.000 5.845 -10.609) 12.112 4.619 ( 0.000 5.845 10.609) 12.112 4.851 ( 0.000 1.359 -8.453) 8.562 4.851 ( 0.000 1.359 8.453) 8.562 5.707 ( 0.000 3.210 -0.338) 3.228 5.707 ( 0.000 3.210 0.338) 3.228 5.961 ( 0.000 -3.804 -2.047) 4.320 5.961 ( 0.000 -3.804 2.047) 4.320 6.702 ( 0.000 19.123 -1.107) 19.155 6.702 ( 0.000 19.123 1.107) 19.155 6.836 ( 0.000 16.051 -0.786) 16.071 6.836 ( 0.000 16.051 0.786) 16.071 7.069 ( 0.000 12.282 -2.422) 12.519 7.069 ( 0.000 12.282 2.422) 12.519 7.407 ( 0.000 7.538 -4.768) 8.919 7.407 ( 0.000 7.538 4.768) 8.919 7.530 ( 0.000 10.795 -2.710) 11.130 7.530 ( 0.000 10.795 2.710) 11.130 8.216 ( 0.000 8.581 -0.666) 8.607 8.216 ( 0.000 8.581 0.666) 8.607 8.321 ( 0.000 7.873 -5.790) 9.773 8.321 ( 0.000 7.873 5.790) 9.773 8.888 ( 0.000 3.854 -3.363) 5.115 8.888 ( 0.000 3.854 3.363) 5.115 9.104 ( 0.000 16.356 -5.881) 17.382 9.104 ( 0.000 16.356 5.881) 17.382 9.612 ( 0.000 18.197 -1.298) 18.244 9.612 ( 0.000 18.197 1.298) 18.244 9.805 ( 0.000 3.884 -0.618) 3.933 9.805 ( 0.000 3.884 0.618) 3.933 10.149 ( 0.000 11.640 -7.385) 13.785 10.149 ( 0.000 11.640 7.385) 13.785 10.458 ( 0.000 1.732 -3.958) 4.321 10.458 ( 0.000 1.732 3.958) 4.321 10.611 ( 0.000 5.486 -7.839) 9.568 10.611 ( 0.000 5.486 7.839) 9.568 11.105 ( 0.000 -15.829 -5.480) 16.751 11.105 ( 0.000 -15.829 5.480) 16.751 11.231 ( 0.000 -14.165 -9.714) 17.176 11.231 ( 0.000 -14.165 9.714) 17.176 11.800 ( 0.000 -17.524 -4.346) 18.055 11.800 ( 0.000 -17.524 4.346) 18.055 12.169 ( 0.000 8.289 -1.218) 8.378 12.169 ( 0.000 8.289 1.218) 8.378 12.364 ( 0.000 -1.760 -9.167) 9.335 12.364 ( 0.000 -1.760 9.167) 9.335 12.464 ( 0.000 2.944 -24.245) 24.423 12.464 ( 0.000 2.944 24.245) 24.423 12.947 ( 0.000 11.393 -33.295) 35.190 12.947 ( 0.000 11.393 33.295) 35.190 13.658 ( 0.000 -3.269 -8.986) 9.562 13.658 ( 0.000 -3.269 8.986) 9.562 14.443 ( 0.000 3.884 -8.922) 9.731 14.443 ( 0.000 3.884 8.922) 9.731 15.344 ( 0.000 -4.717 -13.655) 14.447 15.344 ( 0.000 -4.717 13.655) 14.447 15.840 ( 0.000 -1.724 -1.267) 2.139 15.840 ( 0.000 -1.724 1.267) 2.140 15.899 ( 0.000 -6.124 -7.488) 9.673 15.899 ( 0.000 -6.124 7.488) 9.673 17.040 ( 0.000 -2.188 -6.362) 6.728 17.040 ( 0.000 -2.188 6.362) 6.728 17.142 ( 0.000 -5.209 -4.001) 6.568 17.142 ( 0.000 -5.209 4.001) 6.568 18.680 ( 0.000 -2.865 -32.810) 32.935 18.680 ( 0.000 -2.865 32.810) 32.935 19.960 ( 0.000 -21.261 -17.546) 27.566 19.960 ( 0.000 -21.261 17.546) 27.566 21.798 ( 0.000 7.157 -0.280) 7.163 21.798 ( 0.000 7.157 0.280) 7.163 21.957 ( 0.000 19.684 -0.693) 19.696 21.957 ( 0.000 19.684 0.693) 19.696 23.915 ( 0.000 0.063 -3.097) 3.098 23.915 ( 0.000 0.063 3.097) 3.098 24.609 ( 0.000 -20.554 -6.302) 21.499 24.609 ( 0.000 -20.554 6.302) 21.499 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 5.698 19.796 -4.981) 21.193 2.013 ( 5.698 19.796 4.981) 21.193 2.197 ( 2.078 18.318 -5.854) 19.343 2.197 ( 2.078 18.318 5.854) 19.343 2.647 ( -3.697 9.902 -0.910) 10.608 2.647 ( -3.697 9.902 0.910) 10.608 2.949 ( -14.475 7.187 -5.489) 17.068 2.949 ( -14.475 7.187 5.489) 17.068 3.188 ( -2.965 10.437 -4.090) 11.595 3.188 ( -2.965 10.437 4.090) 11.595 3.311 ( -0.670 3.711 -0.833) 3.862 3.311 ( -0.670 3.711 0.833) 3.862 3.511 ( 7.792 4.390 -3.976) 9.787 3.511 ( 7.792 4.390 3.976) 9.787 3.769 ( 6.361 16.684 -3.758) 18.246 3.769 ( 6.361 16.684 3.758) 18.246 3.922 ( 3.190 16.132 -9.012) 18.752 3.922 ( 3.190 16.132 9.012) 18.752 4.166 ( 0.911 10.869 -11.400) 15.777 4.166 ( 0.911 10.869 11.400) 15.777 4.611 ( -1.173 6.846 -10.432) 12.532 4.611 ( -1.173 6.846 10.432) 12.532 4.832 ( -1.478 1.191 -7.368) 7.609 4.832 ( -1.478 1.191 7.368) 7.609 5.737 ( 2.620 1.754 -0.534) 3.198 5.737 ( 2.620 1.754 0.534) 3.198 5.964 ( 0.388 -3.925 -1.688) 4.291 5.964 ( 0.388 -3.925 1.688) 4.291 6.707 ( -0.476 19.584 -0.183) 19.591 6.707 ( -0.476 19.584 0.183) 19.591 6.853 ( 1.759 22.315 -1.987) 22.472 6.853 ( 1.759 22.315 1.987) 22.472 7.096 ( 3.340 7.092 -2.368) 8.189 7.096 ( 3.340 7.092 2.368) 8.189 7.414 ( -0.153 7.610 -6.110) 9.761 7.414 ( -0.153 7.610 6.110) 9.761 7.574 ( 5.156 8.023 -4.650) 10.610 7.574 ( 5.156 8.023 4.650) 10.610 8.155 ( -5.921 8.786 -1.800) 10.746 8.155 ( -5.921 8.786 1.800) 10.746 8.340 ( 1.614 10.990 -5.520) 12.404 8.340 ( 1.614 10.990 5.520) 12.404 8.904 ( 0.915 3.784 -2.046) 4.398 8.904 ( 0.915 3.784 2.046) 4.398 9.142 ( 4.052 15.236 -3.187) 16.085 9.142 ( 4.052 15.236 3.187) 16.085 9.527 ( -6.703 10.295 -2.003) 12.447 9.527 ( -6.703 10.295 2.003) 12.447 9.869 ( 4.599 12.182 -4.143) 13.664 9.869 ( 4.599 12.182 4.143) 13.664 10.136 ( -0.747 12.381 -5.747) 13.670 10.136 ( -0.747 12.381 5.747) 13.670 10.397 ( -5.461 1.164 -2.402) 6.079 10.397 ( -5.461 1.164 2.402) 6.079 10.666 ( 4.869 4.588 -6.260) 9.162 10.666 ( 4.869 4.588 6.260) 9.162 11.052 ( -5.814 -7.764 -3.749) 10.399 11.052 ( -5.814 -7.764 3.749) 10.399 11.188 ( -3.250 -19.250 -8.055) 21.119 11.188 ( -3.251 -19.250 8.055) 21.119 11.797 ( -0.183 -17.812 -4.907) 18.477 11.797 ( -0.183 -17.812 4.907) 18.477 12.045 ( -9.172 -0.239 -7.928) 12.126 12.045 ( -9.172 -0.239 7.928) 12.126 12.382 ( 0.418 11.671 -4.959) 12.688 12.382 ( 0.418 11.671 4.959) 12.688 12.526 ( 5.252 -3.082 -12.215) 13.649 12.526 ( 5.252 -3.082 12.215) 13.649 13.026 ( 6.696 9.358 -24.100) 26.706 13.026 ( 6.696 9.358 24.100) 26.706 13.596 ( -5.313 -3.209 -8.656) 10.652 13.596 ( -5.313 -3.209 8.656) 10.652 14.560 ( 10.796 3.781 -10.174) 15.309 14.560 ( 10.796 3.781 10.174) 15.309 15.295 ( -5.433 -3.792 -13.940) 15.435 15.295 ( -5.433 -3.792 13.940) 15.435 15.829 ( -0.776 -1.494 -2.410) 2.940 15.829 ( -0.776 -1.494 2.410) 2.940 15.887 ( -1.190 -6.089 -6.826) 9.224 15.887 ( -1.190 -6.089 6.826) 9.224 17.035 ( -0.473 -2.484 -4.706) 5.342 17.035 ( -0.473 -2.484 4.706) 5.342 17.144 ( 0.179 -5.187 -2.963) 5.976 17.144 ( 0.179 -5.187 2.963) 5.976 18.712 ( 3.065 -3.256 -29.538) 29.874 18.712 ( 3.065 -3.256 29.538) 29.874 19.841 ( -10.724 -19.529 -19.296) 29.474 19.841 ( -10.724 -19.529 19.296) 29.474 21.774 ( -1.699 11.069 -3.455) 11.720 21.774 ( -1.699 11.069 3.455) 11.720 21.923 ( -2.957 20.181 -1.608) 20.460 21.923 ( -2.957 20.181 1.608) 20.460 23.974 ( 4.663 -3.633 -5.946) 8.385 23.974 ( 4.663 -3.633 5.946) 8.385 24.658 ( 4.435 -21.135 -5.486) 22.281 24.658 ( 4.435 -21.135 5.486) 22.281 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 3.800 16.561 -2.863) 17.231 2.129 ( 3.800 16.561 2.863) 17.231 2.276 ( 6.798 14.474 -9.218) 18.457 2.276 ( 6.798 14.474 9.218) 18.457 2.539 ( -7.929 10.888 -6.109) 14.790 2.539 ( -7.929 10.888 6.109) 14.790 2.702 ( -7.562 12.020 -2.617) 14.440 2.702 ( -7.562 12.020 2.617) 14.440 3.157 ( -0.469 10.932 -1.148) 11.002 3.157 ( -0.469 10.932 1.148) 11.002 3.289 ( -0.824 3.856 -0.953) 4.056 3.289 ( -0.824 3.856 0.953) 4.056 3.673 ( 7.811 6.273 -3.145) 10.500 3.673 ( 7.811 6.273 3.145) 10.500 3.791 ( -3.569 10.217 -1.068) 10.875 3.791 ( -3.569 10.217 1.068) 10.875 4.023 ( 5.190 16.215 -8.057) 18.836 4.023 ( 5.190 16.215 8.057) 18.836 4.181 ( 0.007 13.459 -8.858) 16.113 4.181 ( 0.007 13.459 8.858) 16.113 4.571 ( -2.047 8.560 -5.086) 10.165 4.571 ( -2.047 8.560 5.086) 10.165 4.815 ( -0.260 0.241 -2.942) 2.963 4.815 ( -0.260 0.241 2.942) 2.963 5.785 ( 1.691 -0.870 -0.445) 1.953 5.785 ( 1.691 -0.870 0.445) 1.953 5.972 ( 0.279 -4.115 -0.600) 4.168 5.972 ( 0.279 -4.115 0.600) 4.168 6.680 ( -1.385 20.157 -0.360) 20.208 6.680 ( -1.385 20.157 0.360) 20.208 6.880 ( 0.666 30.748 -0.634) 30.762 6.880 ( 0.666 30.748 0.634) 30.762 7.192 ( 4.705 3.367 -1.285) 5.927 7.192 ( 4.705 3.367 1.285) 5.927 7.391 ( -1.681 3.678 -3.282) 5.208 7.391 ( -1.681 3.678 3.282) 5.208 7.722 ( 8.647 5.882 -3.730) 11.103 7.722 ( 8.647 5.882 3.730) 11.103 8.000 ( -8.775 6.304 -2.462) 11.082 8.000 ( -8.775 6.304 2.462) 11.082 8.376 ( 1.547 18.788 -2.781) 19.055 8.376 ( 1.547 18.788 2.781) 19.055 8.907 ( -0.363 3.557 -0.441) 3.602 8.907 ( -0.363 3.557 0.441) 3.602 9.245 ( 5.326 10.217 -0.705) 11.544 9.245 ( 5.326 10.217 0.705) 11.544 9.401 ( -5.399 9.184 -0.435) 10.663 9.401 ( -5.399 9.184 0.435) 10.663 9.943 ( 2.673 18.389 -3.135) 18.845 9.943 ( 2.673 18.389 3.135) 18.845 10.114 ( -2.078 8.324 -5.200) 10.032 10.114 ( -2.078 8.324 5.200) 10.032 10.313 ( -1.523 4.695 -1.290) 5.102 10.313 ( -1.523 4.695 1.290) 5.102 10.762 ( 3.975 2.313 -4.444) 6.395 10.762 ( 3.975 2.313 4.444) 6.395 10.916 ( -5.936 -2.228 -0.494) 6.360 10.916 ( -5.936 -2.228 0.494) 6.360 11.134 ( -1.965 -19.710 -3.753) 20.161 11.134 ( -1.965 -19.710 3.753) 20.161 11.805 ( 1.235 -16.583 -5.322) 17.460 11.805 ( 1.235 -16.583 5.322) 17.460 11.893 ( -5.485 -7.583 -6.359) 11.315 11.893 ( -5.485 -7.583 6.359) 11.315 12.383 ( -0.056 13.480 -1.921) 13.617 12.383 ( -0.056 13.480 1.921) 13.617 12.616 ( 2.899 -2.658 -4.187) 5.744 12.616 ( 2.899 -2.658 4.187) 5.744 13.146 ( 4.270 7.599 -9.225) 12.692 13.146 ( 4.270 7.599 9.225) 12.692 13.497 ( -3.654 -3.618 -4.734) 6.989 13.497 ( -3.654 -3.618 4.734) 6.989 14.804 ( 12.353 3.501 -10.696) 16.711 14.804 ( 12.353 3.501 10.696) 16.711 15.132 ( -10.080 -1.329 -12.191) 15.874 15.132 ( -10.080 -1.329 12.191) 15.874 15.828 ( 0.891 -2.674 -3.788) 4.722 15.828 ( 0.891 -2.674 3.788) 4.722 15.857 ( -1.687 -5.105 -5.257) 7.520 15.857 ( -1.687 -5.105 5.257) 7.520 17.026 ( -0.301 -2.908 -1.558) 3.312 17.026 ( -0.301 -2.908 1.558) 3.312 17.147 ( 0.112 -5.206 -1.006) 5.303 17.147 ( 0.112 -5.206 1.006) 5.303 18.777 ( 2.631 -4.111 -14.320) 15.129 18.777 ( 2.631 -4.111 14.320) 15.129 19.639 ( -7.170 -16.161 -11.431) 21.054 19.639 ( -7.170 -16.161 11.431) 21.054 21.758 ( 0.026 16.810 -2.842) 17.048 21.758 ( 0.026 16.810 2.842) 17.048 21.866 ( -2.238 19.317 -1.891) 19.538 21.866 ( -2.238 19.317 1.891) 19.538 24.046 ( 2.077 -7.689 -3.067) 8.534 24.046 ( 2.077 -7.689 3.067) 8.534 24.740 ( 2.812 -22.281 -2.122) 22.558 24.740 ( 2.812 -22.281 2.122) 22.558 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 20.393 -3.628) 20.713 2.372 ( 0.000 20.393 3.628) 20.713 2.514 ( 0.000 13.287 -4.410) 14.000 2.514 ( 0.000 13.287 4.410) 14.000 2.876 ( 0.000 10.863 -2.645) 11.180 2.876 ( 0.000 10.863 2.645) 11.180 3.244 ( 0.000 3.006 -1.118) 3.207 3.244 ( 0.000 3.006 1.118) 3.207 3.289 ( 0.000 0.697 -7.886) 7.917 3.289 ( 0.000 0.697 7.886) 7.917 3.409 ( 0.000 7.067 -1.845) 7.304 3.409 ( 0.000 7.067 1.845) 7.304 3.537 ( 0.000 5.639 -0.271) 5.646 3.537 ( 0.000 5.639 0.271) 5.646 3.947 ( 0.000 11.657 -6.419) 13.308 3.947 ( 0.000 11.657 6.419) 13.308 4.188 ( 0.000 8.646 -1.227) 8.732 4.188 ( 0.000 8.646 1.227) 8.732 4.379 ( 0.000 13.205 -17.106) 21.610 4.379 ( 0.000 13.205 17.106) 21.610 4.764 ( 0.000 9.073 -4.977) 10.348 4.764 ( 0.000 9.073 4.977) 10.348 4.906 ( 0.000 4.016 -5.946) 7.175 4.906 ( 0.000 4.016 5.946) 7.175 5.769 ( 0.000 3.460 -2.601) 4.329 5.769 ( 0.000 3.460 2.601) 4.329 5.887 ( 0.000 -2.915 -2.547) 3.871 5.887 ( 0.000 -2.915 2.547) 3.871 6.876 ( 0.000 4.152 -2.922) 5.077 6.876 ( 0.000 4.152 2.922) 5.077 7.022 ( 0.000 6.688 -0.876) 6.745 7.022 ( 0.000 6.688 0.876) 6.745 7.345 ( 0.000 10.591 -5.239) 11.816 7.345 ( 0.000 10.591 5.239) 11.816 7.598 ( 0.000 10.855 -3.963) 11.556 7.598 ( 0.000 10.855 3.963) 11.556 7.801 ( 0.000 14.810 -4.770) 15.559 7.801 ( 0.000 14.810 4.770) 15.559 8.388 ( 0.000 8.109 -8.306) 11.608 8.388 ( 0.000 8.109 8.306) 11.608 8.507 ( 0.000 10.459 -4.944) 11.569 8.507 ( 0.000 10.459 4.944) 11.569 9.027 ( 0.000 10.342 -1.716) 10.483 9.027 ( 0.000 10.342 1.716) 10.483 9.419 ( 0.000 12.793 -4.604) 13.597 9.419 ( 0.000 12.793 4.604) 13.597 9.847 ( 0.000 0.778 -3.249) 3.341 9.847 ( 0.000 0.778 3.249) 3.341 9.953 ( 0.000 9.721 -0.578) 9.738 9.953 ( 0.000 9.721 0.578) 9.738 10.286 ( 0.000 3.103 -1.434) 3.418 10.286 ( 0.000 3.103 1.434) 3.418 10.472 ( 0.000 -15.017 -2.193) 15.176 10.472 ( 0.000 -15.017 2.193) 15.176 10.621 ( 0.000 -0.290 -0.733) 0.788 10.621 ( 0.000 -0.290 0.733) 0.788 10.769 ( 0.000 6.263 -3.308) 7.083 10.769 ( 0.000 6.263 3.308) 7.082 11.110 ( 0.000 -2.513 -12.533) 12.783 11.110 ( 0.000 -2.513 12.533) 12.783 11.616 ( 0.000 0.395 -3.482) 3.504 11.616 ( 0.000 0.395 3.482) 3.504 12.188 ( 0.000 -12.224 -18.853) 22.470 12.188 ( 0.000 -12.224 18.853) 22.470 12.355 ( 0.000 8.260 -2.135) 8.531 12.355 ( 0.000 8.260 2.135) 8.531 12.670 ( 0.000 11.881 -7.440) 14.018 12.670 ( 0.000 11.881 7.440) 14.018 13.180 ( 0.000 11.901 -31.643) 33.807 13.180 ( 0.000 11.901 31.643) 33.807 13.595 ( 0.000 -3.288 -7.300) 8.006 13.595 ( 0.000 -3.288 7.300) 8.006 14.541 ( 0.000 6.347 -5.619) 8.477 14.541 ( 0.000 6.347 5.619) 8.477 15.250 ( 0.000 -4.152 -15.377) 15.928 15.250 ( 0.000 -4.152 15.377) 15.928 15.647 ( 0.000 -14.048 -9.132) 16.755 15.647 ( 0.000 -14.048 9.132) 16.755 15.726 ( 0.000 -11.207 -1.903) 11.367 15.726 ( 0.000 -11.207 1.903) 11.367 17.141 ( 0.000 8.321 -10.351) 13.281 17.141 ( 0.000 8.321 10.351) 13.281 17.148 ( 0.000 5.208 -6.534) 8.356 17.148 ( 0.000 5.208 6.534) 8.356 18.620 ( 0.000 -2.586 -29.029) 29.144 18.620 ( 0.000 -2.586 29.029) 29.144 19.537 ( 0.000 -21.013 -21.371) 29.971 19.537 ( 0.000 -21.013 21.371) 29.971 21.864 ( 0.000 0.479 -1.967) 2.024 21.864 ( 0.000 0.479 1.967) 2.024 22.253 ( 0.000 9.585 -0.801) 9.619 22.253 ( 0.000 9.585 0.801) 9.619 23.925 ( 0.000 0.404 -0.820) 0.914 23.925 ( 0.000 0.404 0.820) 0.914 24.236 ( 0.000 -16.809 -3.878) 17.251 24.236 ( 0.000 -16.809 3.878) 17.251 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 2.703 19.152 -4.201) 19.792 2.401 ( 2.703 19.152 4.201) 19.792 2.507 ( -0.442 12.527 -2.368) 12.757 2.507 ( -0.442 12.527 2.368) 12.757 2.842 ( -3.464 9.844 -2.638) 10.764 2.842 ( -3.464 9.844 2.638) 10.764 3.092 ( -9.084 7.264 -5.196) 12.739 3.092 ( -9.084 7.264 5.196) 12.739 3.356 ( 0.706 2.763 -1.277) 3.125 3.356 ( 0.706 2.763 1.277) 3.125 3.387 ( -1.056 7.636 -1.304) 7.818 3.387 ( -1.056 7.636 1.304) 7.818 3.594 ( 6.580 4.349 -3.376) 8.580 3.594 ( 6.580 4.349 3.376) 8.580 4.030 ( 3.966 10.451 -2.845) 11.534 4.030 ( 3.966 10.451 2.845) 11.534 4.161 ( -0.033 6.012 -3.149) 6.787 4.161 ( -0.033 6.012 3.149) 6.787 4.399 ( 1.457 12.938 -16.280) 20.846 4.399 ( 1.457 12.938 16.280) 20.846 4.763 ( 0.007 8.786 -7.937) 11.840 4.763 ( 0.007 8.786 7.937) 11.840 4.900 ( -0.806 5.809 -4.632) 7.473 4.900 ( -0.806 5.809 4.632) 7.473 5.769 ( 0.040 1.790 -2.198) 2.834 5.769 ( 0.040 1.790 2.198) 2.834 5.889 ( 0.126 -2.979 -1.875) 3.523 5.889 ( 0.126 -2.979 1.875) 3.523 6.914 ( 3.274 5.550 -1.894) 6.716 6.914 ( 3.274 5.550 1.894) 6.716 7.088 ( 6.253 6.857 -4.099) 10.145 7.088 ( 6.253 6.857 4.099) 10.145 7.291 ( -4.153 8.482 -7.857) 12.285 7.291 ( -4.153 8.482 7.857) 12.285 7.629 ( 2.033 11.758 -4.800) 12.861 7.629 ( 2.033 11.758 4.800) 12.861 7.813 ( 1.649 14.978 -7.009) 16.619 7.813 ( 1.649 14.978 7.009) 16.619 8.302 ( -6.981 6.745 -8.652) 13.003 8.302 ( -6.981 6.745 8.652) 13.003 8.608 ( 7.946 13.745 -5.082) 16.670 8.608 ( 7.946 13.745 5.082) 16.670 9.039 ( 0.771 9.746 -0.849) 9.813 9.039 ( 0.771 9.746 0.849) 9.813 9.427 ( 1.087 11.602 -2.905) 12.009 9.427 ( 1.087 11.602 2.905) 12.009 9.731 ( -8.072 8.796 -4.438) 12.737 9.731 ( -8.072 8.796 4.438) 12.737 10.000 ( 2.176 0.239 -2.734) 3.502 10.000 ( 2.176 0.239 2.734) 3.502 10.336 ( 4.286 2.743 -4.899) 7.063 10.336 ( 4.286 2.743 4.899) 7.063 10.456 ( -1.687 -11.581 -3.840) 12.317 10.456 ( -1.687 -11.581 3.840) 12.317 10.646 ( 0.872 1.981 -2.254) 3.125 10.646 ( 0.872 1.981 2.254) 3.125 10.705 ( -4.348 -0.322 -2.183) 4.876 10.705 ( -4.348 -0.322 2.183) 4.876 11.077 ( -3.362 1.882 -11.281) 11.921 11.077 ( -3.362 1.882 11.281) 11.921 11.606 ( -0.168 -1.454 -1.110) 1.837 11.606 ( -0.168 -1.454 1.110) 1.837 12.035 ( -10.878 -3.726 -12.342) 16.869 12.035 ( -10.878 -3.726 12.342) 16.869 12.475 ( 7.568 1.223 -3.822) 8.567 12.475 ( 7.568 1.223 3.822) 8.567 12.656 ( -1.175 11.293 -4.582) 12.244 12.656 ( -1.175 11.293 4.582) 12.244 13.226 ( 4.161 10.576 -26.205) 28.564 13.226 ( 4.161 10.576 26.205) 28.564 13.547 ( -4.275 -1.830 -9.569) 10.639 13.547 ( -4.275 -1.830 9.569) 10.639 14.647 ( 9.822 5.339 -7.758) 13.607 14.647 ( 9.822 5.339 7.758) 13.607 15.219 ( -3.494 -3.281 -14.817) 15.573 15.219 ( -3.494 -3.281 14.817) 15.573 15.646 ( -0.048 -13.785 -8.354) 16.119 15.646 ( -0.048 -13.785 8.354) 16.119 15.705 ( -1.918 -11.530 -2.896) 12.042 15.705 ( -1.918 -11.530 2.896) 12.042 17.133 ( -0.582 8.726 -6.171) 10.703 17.133 ( -0.582 8.726 6.171) 10.703 17.148 ( -0.046 4.687 -4.124) 6.244 17.148 ( -0.046 4.687 4.124) 6.244 18.644 ( 2.289 -2.997 -26.118) 26.389 18.644 ( 2.289 -2.997 26.118) 26.389 19.457 ( -7.251 -19.024 -20.829) 29.126 19.457 ( -7.251 -19.024 20.829) 29.126 21.893 ( 2.807 1.921 -2.491) 4.216 21.893 ( 2.807 1.921 2.491) 4.216 22.217 ( -3.525 9.169 -1.449) 9.929 22.217 ( -3.525 9.169 1.449) 9.929 23.924 ( 0.076 -1.909 -2.250) 2.952 23.924 ( 0.076 -1.909 2.250) 2.952 24.285 ( 4.177 -16.353 -3.154) 17.171 24.285 ( 4.177 -16.353 3.154) 17.171 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.437 15.050 -3.782) 15.524 2.439 ( 0.437 15.050 3.782) 15.524 2.535 ( 3.592 11.507 -5.115) 13.095 2.535 ( 3.592 11.507 5.115) 13.095 2.748 ( -5.240 10.482 -4.198) 12.448 2.748 ( -5.240 10.482 4.198) 12.448 2.955 ( -3.795 12.904 -2.005) 13.599 2.955 ( -3.795 12.904 2.005) 13.599 3.356 ( 0.361 5.941 -2.107) 6.314 3.356 ( 0.361 5.941 2.107) 6.314 3.372 ( -0.870 7.407 -1.140) 7.544 3.372 ( -0.870 7.407 1.140) 7.544 3.751 ( 8.014 2.210 -2.037) 8.559 3.751 ( 8.014 2.210 2.037) 8.559 3.964 ( -6.706 6.682 -0.259) 9.470 3.964 ( -6.706 6.682 0.259) 9.470 4.267 ( 6.210 8.460 -2.646) 10.823 4.267 ( 6.210 8.460 2.646) 10.823 4.408 ( -0.897 8.818 -10.593) 13.812 4.408 ( -0.897 8.818 10.593) 13.812 4.767 ( 0.354 10.965 -7.271) 13.162 4.767 ( 0.354 10.965 7.271) 13.162 4.876 ( -1.229 6.953 -3.206) 7.755 4.876 ( -1.229 6.953 3.206) 7.755 5.771 ( 0.117 -0.421 -0.931) 1.029 5.771 ( 0.117 -0.421 0.931) 1.029 5.890 ( 0.048 -3.424 -0.593) 3.475 5.890 ( 0.048 -3.424 0.593) 3.475 6.970 ( 1.757 10.742 -2.048) 11.076 6.970 ( 1.757 10.742 2.048) 11.076 7.172 ( -0.350 3.265 -3.952) 5.138 7.172 ( -0.350 3.265 3.952) 5.138 7.282 ( 4.593 6.318 -3.434) 8.532 7.282 ( 4.593 6.318 3.434) 8.532 7.625 ( -2.189 15.463 -2.767) 15.860 7.625 ( -2.189 15.463 2.767) 15.860 7.892 ( 5.912 11.008 -8.448) 15.082 7.892 ( 5.912 11.008 8.448) 15.082 8.145 ( -7.937 8.398 -7.872) 13.982 8.145 ( -7.937 8.398 7.872) 13.982 8.763 ( 6.406 17.539 -2.495) 18.838 8.763 ( 6.406 17.539 2.495) 18.838 9.030 ( -1.758 8.008 -0.722) 8.231 9.030 ( -1.758 8.008 0.722) 8.231 9.452 ( 0.698 10.334 -0.507) 10.370 9.452 ( 0.698 10.334 0.507) 10.370 9.613 ( -2.781 11.582 -3.283) 12.356 9.613 ( -2.781 11.582 3.283) 12.356 10.037 ( 1.873 -2.758 -4.939) 5.959 10.037 ( 1.873 -2.758 4.939) 5.959 10.350 ( -3.732 6.865 -5.726) 9.688 10.350 ( -3.732 6.865 5.726) 9.688 10.456 ( 2.450 -10.751 -2.124) 11.229 10.456 ( 2.450 -10.751 2.124) 11.229 10.572 ( -3.466 -17.476 -2.653) 18.013 10.572 ( -3.466 -17.476 2.653) 18.013 10.738 ( 3.496 12.272 -3.217) 13.160 10.738 ( 3.496 12.272 3.217) 13.160 10.991 ( -4.312 5.334 -5.555) 8.826 10.991 ( -4.312 5.334 5.555) 8.826 11.644 ( 4.121 -2.720 -3.943) 6.318 11.644 ( 4.121 -2.720 3.943) 6.318 11.831 ( -8.904 -1.213 -8.422) 12.315 11.831 ( -8.904 -1.213 8.422) 12.315 12.589 ( 3.514 0.553 -3.259) 4.825 12.589 ( 3.514 0.553 3.259) 4.825 12.635 ( -0.845 9.682 -2.647) 10.073 12.635 ( -0.845 9.682 2.647) 10.073 13.313 ( 3.970 8.848 -14.774) 17.673 13.313 ( 3.970 8.848 14.774) 17.673 13.458 ( -3.974 0.005 -9.575) 10.367 13.458 ( -3.974 0.005 9.575) 10.367 14.870 ( 11.604 3.645 -9.939) 15.708 14.870 ( 11.604 3.645 9.939) 15.708 15.103 ( -8.200 -1.072 -12.388) 14.895 15.103 ( -8.200 -1.072 12.388) 14.895 15.648 ( 0.283 -13.293 -6.171) 14.658 15.648 ( 0.283 -13.293 6.171) 14.658 15.669 ( -1.400 -12.415 -4.457) 13.265 15.669 ( -1.400 -12.415 4.457) 13.265 17.124 ( -0.325 9.306 -2.130) 9.552 17.124 ( -0.325 9.306 2.130) 9.552 17.147 ( -0.073 3.913 -1.584) 4.223 17.147 ( -0.073 3.913 1.584) 4.223 18.692 ( 1.926 -3.854 -12.605) 13.321 18.692 ( 1.926 -3.854 12.605) 13.321 19.321 ( -4.834 -15.761 -11.062) 19.853 19.321 ( -4.834 -15.761 11.062) 19.853 21.959 ( 3.202 4.557 -2.147) 5.969 21.959 ( 3.202 4.557 2.147) 5.969 22.137 ( -3.642 7.999 -1.702) 8.953 22.137 ( -3.642 7.999 1.702) 8.953 23.928 ( 0.159 -4.482 -1.139) 4.627 23.928 ( 0.159 -4.482 1.139) 4.627 24.357 ( 2.346 -16.496 -1.147) 16.701 24.357 ( 2.346 -16.496 1.147) 16.701 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.000 6.299 -1.213) 6.415 2.661 ( 0.000 6.299 1.213) 6.415 2.760 ( 0.000 15.286 -0.998) 15.318 2.760 ( 0.000 15.286 0.998) 15.318 3.081 ( 0.000 8.658 -2.858) 9.118 3.081 ( 0.000 8.658 2.858) 9.118 3.254 ( 0.000 -2.268 -4.894) 5.394 3.254 ( 0.000 -2.268 4.894) 5.394 3.308 ( 0.000 2.943 -3.141) 4.304 3.308 ( 0.000 2.943 3.141) 4.304 3.535 ( 0.000 5.470 -1.434) 5.655 3.535 ( 0.000 5.470 1.434) 5.655 3.642 ( 0.000 4.511 -0.737) 4.571 3.642 ( 0.000 4.511 0.737) 4.571 4.070 ( 0.000 0.178 -6.584) 6.587 4.070 ( 0.000 0.178 6.584) 6.587 4.316 ( 0.000 7.277 -2.002) 7.548 4.316 ( 0.000 7.277 2.002) 7.548 4.601 ( 0.000 8.428 -8.950) 12.294 4.601 ( 0.000 8.428 8.950) 12.294 4.962 ( 0.000 9.219 -8.638) 12.634 4.962 ( 0.000 9.219 8.638) 12.634 4.993 ( 0.000 5.571 -8.634) 10.276 4.993 ( 0.000 5.571 8.634) 10.276 5.836 ( 0.000 2.619 -6.774) 7.263 5.836 ( 0.000 2.619 6.774) 7.263 5.871 ( 0.000 1.910 -0.968) 2.141 5.871 ( 0.000 1.910 0.968) 2.141 6.980 ( 0.000 7.190 -4.372) 8.415 6.980 ( 0.000 7.190 4.372) 8.415 7.137 ( 0.000 5.527 -0.607) 5.561 7.137 ( 0.000 5.527 0.607) 5.561 7.487 ( 0.000 5.035 -10.590) 11.726 7.487 ( 0.000 5.035 10.590) 11.726 7.783 ( 0.000 7.425 -7.567) 10.601 7.783 ( 0.000 7.425 7.567) 10.601 8.055 ( 0.000 10.884 -14.466) 18.104 8.055 ( 0.000 10.884 14.466) 18.104 8.500 ( 0.000 2.763 -15.981) 16.218 8.500 ( 0.000 2.763 15.981) 16.219 8.730 ( 0.000 12.713 -7.243) 14.632 8.730 ( 0.000 12.713 7.243) 14.632 9.228 ( 0.000 8.031 -0.468) 8.045 9.228 ( 0.000 8.031 0.468) 8.045 9.521 ( 0.000 -0.756 -5.872) 5.920 9.521 ( 0.000 -0.756 5.872) 5.920 9.825 ( 0.000 -9.174 -2.853) 9.608 9.825 ( 0.000 -9.174 2.853) 9.608 9.866 ( 0.000 -15.391 -2.557) 15.602 9.866 ( 0.000 -15.391 2.557) 15.602 9.976 ( 0.000 -8.605 -3.582) 9.321 9.976 ( 0.000 -8.605 3.582) 9.321 10.553 ( 0.000 10.873 -0.356) 10.878 10.553 ( 0.000 10.873 0.356) 10.878 10.785 ( 0.000 8.228 -5.382) 9.831 10.785 ( 0.000 8.228 5.382) 9.831 10.981 ( 0.000 13.950 -1.734) 14.057 10.981 ( 0.000 13.950 1.734) 14.057 11.158 ( 0.000 5.255 -21.690) 22.318 11.158 ( 0.000 5.255 21.690) 22.318 11.794 ( 0.000 16.152 -4.764) 16.840 11.794 ( 0.000 16.152 4.764) 16.840 11.926 ( 0.000 -12.824 -13.918) 18.925 11.926 ( 0.000 -12.824 13.918) 18.925 12.487 ( 0.000 5.377 -5.316) 7.562 12.487 ( 0.000 5.377 5.316) 7.562 12.837 ( 0.000 5.037 -0.177) 5.040 12.837 ( 0.000 5.037 0.177) 5.040 13.388 ( 0.000 8.468 -22.309) 23.862 13.388 ( 0.000 8.468 22.309) 23.862 13.519 ( 0.000 -4.723 -3.354) 5.793 13.519 ( 0.000 -4.723 3.354) 5.793 14.691 ( 0.000 8.639 -4.998) 9.981 14.691 ( 0.000 8.639 4.998) 9.981 15.192 ( 0.000 -2.477 -15.897) 16.088 15.192 ( 0.000 -2.477 15.897) 16.088 15.395 ( 0.000 -10.077 -15.073) 18.131 15.395 ( 0.000 -10.077 15.073) 18.131 15.500 ( 0.000 -10.675 -2.359) 10.933 15.500 ( 0.000 -10.675 2.359) 10.933 17.253 ( 0.000 5.531 -0.699) 5.575 17.253 ( 0.000 5.531 0.699) 5.575 17.318 ( 0.000 7.781 -12.917) 15.080 17.318 ( 0.000 7.781 12.917) 15.080 18.599 ( 0.000 0.678 -20.157) 20.169 18.599 ( 0.000 0.678 20.157) 20.169 19.169 ( 0.000 -16.242 -19.863) 25.658 19.169 ( 0.000 -16.242 19.863) 25.658 21.845 ( 0.000 -1.841 -2.007) 2.723 21.845 ( 0.000 -1.841 2.007) 2.723 22.323 ( 0.000 -1.733 -1.990) 2.638 22.323 ( 0.000 -1.733 1.990) 2.638 23.903 ( 0.000 -4.127 -1.143) 4.282 23.903 ( 0.000 -4.127 1.143) 4.282 23.993 ( 0.000 -6.514 -0.385) 6.525 23.993 ( 0.000 -6.514 0.385) 6.525 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 0.726 6.357 -4.040) 7.567 2.668 ( 0.726 6.357 4.040) 7.567 2.759 ( -0.201 15.554 -1.678) 15.645 2.759 ( -0.201 15.554 1.678) 15.645 3.008 ( -5.203 6.369 -3.390) 8.895 3.008 ( -5.203 6.369 3.390) 8.895 3.229 ( -2.861 6.830 -3.671) 8.265 3.229 ( -2.861 6.830 3.671) 8.265 3.359 ( 3.927 -1.441 -1.578) 4.471 3.359 ( 3.927 -1.441 1.578) 4.471 3.526 ( -0.862 5.533 -1.826) 5.890 3.526 ( -0.862 5.533 1.826) 5.890 3.678 ( 3.874 3.838 -0.755) 5.506 3.678 ( 3.874 3.838 0.755) 5.506 4.093 ( -0.203 -3.235 -3.180) 4.541 4.093 ( -0.203 -3.235 3.180) 4.541 4.297 ( 0.679 8.852 -4.353) 9.888 4.297 ( 0.679 8.852 4.353) 9.888 4.597 ( -1.106 7.117 -9.963) 12.294 4.597 ( -1.106 7.117 9.963) 12.294 4.956 ( 0.417 9.888 -10.187) 14.203 4.956 ( 0.417 9.888 10.187) 14.203 5.029 ( 2.172 6.740 -4.477) 8.378 5.029 ( 2.172 6.740 4.477) 8.378 5.811 ( -2.086 2.455 -4.299) 5.372 5.811 ( -2.086 2.455 4.299) 5.372 5.865 ( -0.634 0.598 -1.298) 1.563 5.865 ( -0.634 0.598 1.298) 1.563 7.023 ( 4.214 6.208 -3.295) 8.194 7.023 ( 4.214 6.208 3.295) 8.194 7.215 ( 6.608 6.907 -4.501) 10.566 7.215 ( 6.608 6.907 4.501) 10.566 7.414 ( -5.369 4.636 -10.453) 12.632 7.414 ( -5.369 4.636 10.453) 12.632 7.824 ( 2.715 7.797 -7.906) 11.431 7.824 ( 2.715 7.797 7.906) 11.431 8.074 ( 1.539 10.913 -13.225) 17.215 8.074 ( 1.539 10.913 13.225) 17.215 8.419 ( -6.219 4.725 -16.040) 17.841 8.419 ( -6.219 4.725 16.040) 17.841 8.837 ( 8.461 10.338 -5.998) 14.644 8.837 ( 8.461 10.338 5.998) 14.644 9.225 ( -0.700 7.242 -3.201) 7.949 9.225 ( -0.700 7.242 3.201) 7.949 9.533 ( 1.805 -0.511 -3.780) 4.220 9.533 ( 1.805 -0.511 3.780) 4.220 9.769 ( -3.656 -6.195 -5.777) 9.226 9.769 ( -3.656 -6.195 5.777) 9.226 9.906 ( 3.089 -16.420 -3.178) 17.008 9.906 ( 3.089 -16.420 3.178) 17.008 10.008 ( 2.796 -6.735 -3.496) 8.087 10.008 ( 2.796 -6.735 3.496) 8.087 10.426 ( -10.536 6.874 -1.205) 12.638 10.426 ( -10.536 6.874 1.205) 12.638 10.750 ( -7.044 0.473 -5.946) 9.230 10.750 ( -7.044 0.473 5.946) 9.230 11.009 ( 4.942 22.351 -1.880) 22.967 11.009 ( 4.942 22.351 1.880) 22.967 11.209 ( 4.449 7.383 -19.132) 20.984 11.209 ( 4.449 7.383 19.132) 20.984 11.683 ( -7.720 5.859 -9.269) 13.410 11.683 ( -7.720 5.859 9.269) 13.410 11.925 ( -2.818 -2.269 -11.437) 11.996 11.925 ( -2.818 -2.269 11.437) 11.996 12.536 ( 4.693 4.145 -2.322) 6.678 12.536 ( 4.693 4.145 2.322) 6.678 12.808 ( -2.589 4.608 -1.194) 5.419 12.808 ( -2.589 4.608 1.194) 5.419 13.410 ( 1.901 7.245 -21.012) 22.307 13.410 ( 1.901 7.245 21.012) 22.307 13.510 ( -0.853 -2.485 -8.054) 8.471 13.510 ( -0.853 -2.485 8.054) 8.471 14.771 ( 7.640 7.147 -4.185) 11.267 14.771 ( 7.640 7.147 4.185) 11.267 15.178 ( -1.753 -1.545 -13.954) 14.148 15.178 ( -1.753 -1.545 13.954) 14.148 15.397 ( 0.105 -10.181 -13.878) 17.212 15.397 ( 0.105 -10.181 13.878) 17.212 15.473 ( -2.605 -11.006 -2.134) 11.509 15.473 ( -2.605 -11.006 2.134) 11.509 17.250 ( -0.196 5.541 -1.017) 5.637 17.250 ( -0.196 5.541 1.017) 5.637 17.311 ( -0.596 7.673 -10.626) 13.120 17.311 ( -0.596 7.673 10.626) 13.120 18.615 ( 1.524 0.294 -18.204) 18.270 18.615 ( 1.524 0.294 18.204) 18.270 19.124 ( -4.040 -14.594 -18.318) 23.767 19.124 ( -4.040 -14.594 18.318) 23.767 21.885 ( 3.904 -1.848 -2.234) 4.863 21.885 ( 3.904 -1.848 2.234) 4.863 22.281 ( -4.135 -1.851 -2.159) 5.018 22.281 ( -4.135 -1.851 2.159) 5.018 23.880 ( -1.343 -3.057 -0.664) 3.404 23.880 ( -1.343 -3.057 0.664) 3.404 24.043 ( 3.678 -8.232 -0.103) 9.017 24.043 ( 3.678 -8.232 0.103) 9.017 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 1.380 9.371 -5.046) 10.732 2.690 ( 1.380 9.371 5.046) 10.732 2.744 ( -1.250 11.183 -3.621) 11.821 2.744 ( -1.250 11.183 3.621) 11.821 2.934 ( -1.852 8.370 -1.635) 8.727 2.934 ( -1.852 8.370 1.635) 8.727 3.171 ( -2.138 8.820 -1.871) 9.267 3.171 ( -2.138 8.820 1.871) 9.267 3.419 ( 1.834 1.861 -1.518) 3.022 3.419 ( 1.834 1.861 1.518) 3.022 3.508 ( -0.751 4.209 -1.543) 4.545 3.508 ( -0.751 4.209 1.543) 4.545 3.783 ( 5.766 1.510 -0.523) 5.983 3.783 ( 5.766 1.510 0.523) 5.983 4.009 ( -6.054 -2.165 -0.903) 6.492 4.009 ( -6.054 -2.165 0.903) 6.492 4.397 ( 7.592 6.080 -1.340) 9.819 4.397 ( 7.592 6.080 1.340) 9.819 4.535 ( -5.376 5.168 -6.578) 9.944 4.535 ( -5.376 5.168 6.578) 9.944 4.985 ( 1.912 10.601 -6.134) 12.396 4.985 ( 1.912 10.601 6.134) 12.396 5.047 ( -0.326 8.957 -0.483) 8.976 5.047 ( -0.326 8.957 0.483) 8.976 5.778 ( -0.923 1.345 -1.291) 2.081 5.778 ( -0.923 1.345 1.291) 2.081 5.851 ( -0.581 -0.715 -0.402) 1.005 5.851 ( -0.581 -0.715 0.402) 1.005 7.126 ( 5.898 5.261 -4.543) 9.116 7.126 ( 5.898 5.261 4.543) 9.116 7.240 ( -5.116 5.079 -7.062) 10.091 7.240 ( -5.116 5.079 7.062) 10.091 7.418 ( 4.987 7.942 -2.965) 9.835 7.418 ( 4.987 7.942 2.965) 9.835 7.846 ( -0.497 7.457 -3.555) 8.276 7.846 ( -0.497 7.457 3.555) 8.276 8.112 ( 2.461 10.431 -11.348) 15.609 8.112 ( 2.461 10.431 11.348) 15.609 8.299 ( -5.176 6.401 -12.314) 14.812 8.299 ( -5.176 6.401 12.314) 14.812 9.005 ( 8.011 7.924 -3.060) 11.676 9.005 ( 8.011 7.924 3.060) 11.676 9.171 ( -5.019 5.349 -4.652) 8.686 9.171 ( -5.019 5.349 4.652) 8.686 9.591 ( 2.479 1.160 -1.566) 3.153 9.591 ( 2.479 1.160 1.566) 3.153 9.733 ( 0.580 -3.772 -7.151) 8.106 9.733 ( 0.580 -3.772 7.151) 8.106 9.982 ( 5.265 -12.041 -5.906) 14.408 9.982 ( 5.265 -12.041 5.906) 14.408 10.067 ( 1.568 -1.780 -5.285) 5.793 10.067 ( 1.568 -1.780 5.285) 5.793 10.210 ( -9.563 -4.002 -1.309) 10.449 10.210 ( -9.563 -4.002 1.309) 10.449 10.572 ( -7.587 -0.374 -3.885) 8.532 10.572 ( -7.587 -0.374 3.885) 8.532 11.141 ( 7.193 19.477 -0.679) 20.774 11.141 ( 7.193 19.477 0.679) 20.774 11.260 ( -1.431 18.846 -10.359) 21.553 11.260 ( -1.431 18.846 10.359) 21.553 11.586 ( -0.911 -3.943 -4.005) 5.693 11.586 ( -0.911 -3.943 4.005) 5.693 11.825 ( -5.335 2.671 -6.346) 8.710 11.825 ( -5.335 2.671 6.346) 8.710 12.636 ( 4.495 3.873 -0.919) 6.004 12.636 ( 4.495 3.873 0.919) 6.004 12.750 ( -2.978 3.242 -1.625) 4.693 12.750 ( -2.978 3.242 1.625) 4.693 13.448 ( 1.646 3.593 -15.619) 16.111 13.448 ( 1.646 3.593 15.619) 16.111 13.490 ( -1.092 2.507 -11.360) 11.685 13.490 ( -1.092 2.507 11.360) 11.685 14.950 ( 9.575 4.127 -4.375) 11.308 14.950 ( 9.575 4.127 4.375) 11.308 15.108 ( -5.877 1.464 -8.671) 10.576 15.108 ( -5.877 1.464 8.671) 10.576 15.400 ( 0.270 -11.044 -11.780) 16.149 15.400 ( 0.270 -11.044 11.780) 16.149 15.421 ( -2.017 -11.442 -6.420) 13.274 15.421 ( -2.017 -11.442 6.420) 13.274 17.247 ( -0.119 5.542 -0.648) 5.581 17.247 ( -0.119 5.542 0.648) 5.581 17.300 ( -0.379 7.520 -4.199) 8.622 17.300 ( -0.379 7.520 4.199) 8.622 18.647 ( 1.254 -0.502 -8.817) 8.920 18.647 ( 1.254 -0.502 8.817) 8.920 19.047 ( -2.752 -11.845 -9.060) 15.164 19.047 ( -2.752 -11.845 9.060) 15.164 21.976 ( 4.390 -1.635 -1.850) 5.036 21.976 ( 4.390 -1.635 1.850) 5.036 22.185 ( -4.539 -2.219 -1.799) 5.363 22.185 ( -4.539 -2.219 1.799) 5.363 23.864 ( -0.352 -2.282 -0.214) 2.319 23.864 ( -0.352 -2.282 0.214) 2.319 24.101 ( 1.760 -10.029 -0.038) 10.182 24.101 ( 1.760 -10.029 0.038) 10.182 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 1.661 -0.572) 1.757 2.728 ( 0.000 1.661 0.572) 1.757 3.012 ( 0.000 9.455 -2.471) 9.773 3.012 ( 0.000 9.455 2.471) 9.773 3.166 ( 0.000 0.143 -1.468) 1.475 3.166 ( 0.000 0.143 1.468) 1.475 3.213 ( 0.000 -0.956 -0.462) 1.062 3.213 ( 0.000 -0.956 0.462) 1.062 3.409 ( 0.000 7.188 -1.040) 7.263 3.409 ( 0.000 7.188 1.040) 7.263 3.606 ( 0.000 1.089 -0.824) 1.365 3.606 ( 0.000 1.089 0.824) 1.365 3.697 ( 0.000 1.187 -0.122) 1.193 3.697 ( 0.000 1.187 0.122) 1.193 4.014 ( 0.000 -3.936 -3.564) 5.310 4.014 ( 0.000 -3.936 3.564) 5.310 4.453 ( 0.000 5.625 -2.729) 6.252 4.453 ( 0.000 5.625 2.729) 6.252 4.720 ( 0.000 4.120 -4.223) 5.900 4.720 ( 0.000 4.120 4.223) 5.900 5.046 ( 0.000 2.344 -0.411) 2.380 5.046 ( 0.000 2.344 0.411) 2.380 5.142 ( 0.000 5.874 -1.607) 6.090 5.142 ( 0.000 5.874 1.607) 6.090 5.883 ( 0.000 2.699 -2.862) 3.934 5.883 ( 0.000 2.699 2.862) 3.934 5.924 ( 0.000 2.044 -0.641) 2.142 5.924 ( 0.000 2.044 0.641) 2.142 7.134 ( 0.000 7.071 -4.059) 8.153 7.134 ( 0.000 7.071 4.059) 8.153 7.243 ( 0.000 5.267 -0.778) 5.324 7.243 ( 0.000 5.267 0.778) 5.324 7.562 ( 0.000 2.736 -8.963) 9.371 7.562 ( 0.000 2.736 8.963) 9.371 7.874 ( 0.000 2.078 -6.576) 6.897 7.874 ( 0.000 2.078 6.576) 6.897 8.220 ( 0.000 5.879 -16.628) 17.637 8.220 ( 0.000 5.879 16.628) 17.637 8.503 ( 0.000 -1.480 -12.409) 12.497 8.503 ( 0.000 -1.480 12.409) 12.497 8.986 ( 0.000 12.428 -8.029) 14.795 8.986 ( 0.000 12.428 8.029) 14.795 9.262 ( 0.000 -2.918 -0.541) 2.968 9.262 ( 0.000 -2.918 0.541) 2.968 9.422 ( 0.000 -16.774 -6.654) 18.046 9.422 ( 0.000 -16.774 6.654) 18.046 9.556 ( 0.000 3.945 -12.927) 13.515 9.556 ( 0.000 3.945 12.927) 13.516 9.800 ( 0.000 -3.634 -5.933) 6.957 9.800 ( 0.000 -3.634 5.933) 6.957 9.866 ( 0.000 -3.117 -0.923) 3.250 9.866 ( 0.000 -3.117 0.923) 3.250 10.769 ( 0.000 9.315 -5.479) 10.807 10.769 ( 0.000 9.315 5.479) 10.807 10.832 ( 0.000 0.965 -7.735) 7.795 10.832 ( 0.000 0.965 7.735) 7.795 11.146 ( 0.000 -0.629 -14.448) 14.462 11.146 ( 0.000 -0.629 14.448) 14.462 11.358 ( 0.000 14.386 -4.008) 14.933 11.358 ( 0.000 14.386 4.008) 14.933 11.657 ( 0.000 -11.239 -7.696) 13.622 11.657 ( 0.000 -11.239 7.696) 13.622 12.189 ( 0.000 17.675 -2.688) 17.878 12.189 ( 0.000 17.675 2.688) 17.878 12.559 ( 0.000 1.970 -3.582) 4.088 12.559 ( 0.000 1.970 3.582) 4.088 12.899 ( 0.000 2.222 -1.368) 2.610 12.900 ( 0.000 2.222 1.368) 2.610 13.410 ( 0.000 -5.278 -0.391) 5.293 13.410 ( 0.000 -5.278 0.391) 5.293 13.493 ( 0.000 2.096 -11.040) 11.237 13.493 ( 0.000 2.096 11.040) 11.237 14.838 ( 0.000 4.771 -15.735) 16.443 14.838 ( 0.000 4.771 15.735) 16.443 15.116 ( 0.000 -3.815 -19.133) 19.509 15.116 ( 0.000 -3.815 19.133) 19.509 15.274 ( 0.000 -4.584 -13.112) 13.890 15.274 ( 0.000 -4.584 13.112) 13.890 15.376 ( 0.000 -0.815 -4.492) 4.566 15.376 ( 0.000 -0.815 4.492) 4.566 17.337 ( 0.000 2.917 -1.428) 3.248 17.337 ( 0.000 2.917 1.428) 3.248 17.432 ( 0.000 3.916 -8.642) 9.487 17.432 ( 0.000 3.916 8.642) 9.487 18.637 ( 0.000 2.564 -9.441) 9.783 18.637 ( 0.000 2.564 9.441) 9.783 18.920 ( 0.000 -8.965 -12.514) 15.394 18.920 ( 0.000 -8.965 12.514) 15.394 21.811 ( 0.000 -1.282 -1.236) 1.781 21.811 ( 0.000 -1.282 1.236) 1.781 22.239 ( 0.000 -5.191 -1.755) 5.479 22.239 ( 0.000 -5.191 1.755) 5.479 23.800 ( 0.000 -4.151 -0.978) 4.265 23.800 ( 0.000 -4.151 0.978) 4.265 23.942 ( 0.000 -1.116 -0.568) 1.252 23.942 ( 0.000 -1.116 0.568) 1.252 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 2.467 2.767 -2.778) 4.632 2.752 ( 2.467 2.767 2.778) 4.632 3.014 ( -1.284 9.580 -2.424) 9.965 3.014 ( -1.284 9.580 2.424) 9.965 3.086 ( -3.126 2.392 -2.001) 4.415 3.086 ( -3.126 2.392 2.001) 4.415 3.293 ( 4.062 -2.453 -3.288) 5.773 3.293 ( 4.062 -2.453 3.288) 5.773 3.384 ( -1.671 6.615 -0.731) 6.862 3.384 ( -1.671 6.615 0.731) 6.862 3.587 ( -2.032 0.109 -1.429) 2.486 3.587 ( -2.032 0.109 1.429) 2.486 3.730 ( 3.177 1.425 -0.685) 3.548 3.730 ( 3.177 1.425 0.685) 3.548 4.005 ( -1.638 -4.369 -2.681) 5.381 4.005 ( -1.638 -4.369 2.681) 5.381 4.445 ( 0.376 5.586 -2.872) 6.293 4.445 ( 0.376 5.586 2.872) 6.293 4.700 ( -2.399 3.690 -5.084) 6.725 4.700 ( -2.399 3.690 5.084) 6.725 5.088 ( 3.504 3.751 -6.552) 8.324 5.088 ( 3.504 3.751 6.552) 8.324 5.158 ( 1.655 5.586 -2.672) 6.409 5.158 ( 1.655 5.586 2.672) 6.409 5.861 ( -2.160 2.610 -2.916) 4.470 5.861 ( -2.160 2.610 2.916) 4.470 5.893 ( -2.497 1.440 -1.941) 3.475 5.893 ( -2.497 1.440 1.941) 3.475 7.138 ( 1.654 4.748 -1.991) 5.408 7.138 ( 1.654 4.748 1.991) 5.408 7.366 ( 9.250 7.965 -3.753) 12.770 7.366 ( 9.250 7.965 3.753) 12.770 7.479 ( -5.386 2.036 -8.559) 10.316 7.479 ( -5.386 2.036 8.559) 10.316 7.921 ( 2.716 2.323 -7.039) 7.894 7.921 ( 2.716 2.323 7.039) 7.894 8.232 ( 1.107 5.199 -16.304) 17.148 8.232 ( 1.107 5.199 16.304) 17.148 8.469 ( -3.641 0.530 -13.275) 13.776 8.469 ( -3.641 0.530 13.275) 13.776 9.034 ( 4.184 9.694 -7.108) 12.728 9.034 ( 4.184 9.694 7.108) 12.728 9.260 ( -0.112 -2.388 -3.233) 4.021 9.260 ( -0.112 -2.388 3.233) 4.021 9.436 ( 1.009 -14.527 -5.325) 15.505 9.436 ( 1.009 -14.527 5.325) 15.505 9.531 ( -1.471 -1.234 -11.539) 11.697 9.531 ( -1.471 -1.234 11.539) 11.697 9.818 ( 2.720 -1.435 -5.095) 5.951 9.818 ( 2.720 -1.435 5.095) 5.951 9.932 ( 6.003 -0.890 -0.700) 6.108 9.932 ( 6.003 -0.890 0.700) 6.108 10.614 ( -13.243 9.103 -5.401) 16.954 10.614 ( -13.243 9.103 5.401) 16.954 10.735 ( -9.442 -0.752 -7.200) 11.898 10.735 ( -9.442 -0.752 7.200) 11.898 11.204 ( 4.322 -0.884 -12.200) 12.973 11.204 ( 4.322 -0.884 12.200) 12.973 11.438 ( 6.531 13.168 -9.164) 17.321 11.438 ( 6.531 13.168 9.164) 17.321 11.613 ( -3.022 -6.330 -6.103) 9.298 11.613 ( -3.022 -6.330 6.103) 9.298 12.127 ( -6.214 13.913 -4.188) 15.803 12.127 ( -6.214 13.913 4.188) 15.803 12.612 ( 4.863 3.446 -2.408) 6.428 12.612 ( 4.863 3.446 2.408) 6.428 12.874 ( -2.393 2.865 -1.364) 3.974 12.874 ( -2.393 2.865 1.364) 3.974 13.432 ( 1.825 -4.154 -4.073) 6.097 13.432 ( 1.825 -4.154 4.073) 6.097 13.497 ( 0.383 1.234 -10.318) 10.399 13.497 ( 0.383 1.234 10.318) 10.399 14.887 ( 4.704 3.101 -13.979) 15.071 14.887 ( 4.704 3.101 13.979) 15.071 15.117 ( 0.024 -3.423 -15.770) 16.137 15.117 ( 0.024 -3.423 15.770) 16.137 15.268 ( -0.561 -4.784 -10.902) 11.919 15.268 ( -0.561 -4.784 10.902) 11.919 15.352 ( -2.341 -0.071 -2.342) 3.313 15.352 ( -2.341 -0.071 2.342) 3.313 17.338 ( 0.096 3.173 -1.092) 3.357 17.338 ( 0.096 3.173 1.092) 3.357 17.420 ( -1.115 3.502 -7.204) 8.087 17.420 ( -1.115 3.502 7.204) 8.087 18.648 ( 1.084 2.577 -8.759) 9.195 18.648 ( 1.084 2.577 8.759) 9.195 18.900 ( -1.835 -8.214 -11.294) 14.085 18.900 ( -1.835 -8.214 11.294) 14.085 21.848 ( 3.592 -1.520 -1.407) 4.147 21.848 ( 3.592 -1.520 1.407) 4.147 22.197 ( -4.060 -5.049 -1.775) 6.718 22.197 ( -4.060 -5.049 1.775) 6.718 23.814 ( 1.233 -2.933 -1.285) 3.432 23.814 ( 1.233 -2.933 1.285) 3.432 23.946 ( 0.326 -2.631 -1.007) 2.836 23.946 ( 0.326 -2.631 1.007) 2.836 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 4.629 4.693 -3.841) 7.630 2.822 ( 4.629 4.693 3.841) 7.630 2.927 ( -5.701 5.999 -3.661) 9.050 2.927 ( -5.701 5.999 3.661) 9.050 3.091 ( 1.393 8.432 -1.282) 8.642 3.091 ( 1.393 8.432 1.282) 8.642 3.297 ( -1.836 3.828 -1.655) 4.557 3.297 ( -1.836 3.828 1.655) 4.557 3.420 ( 4.062 -1.100 -1.915) 4.623 3.420 ( 4.062 -1.100 1.915) 4.623 3.530 ( -3.393 -1.753 -1.934) 4.281 3.530 ( -3.393 -1.753 1.934) 4.281 3.810 ( 4.633 0.926 -0.751) 4.784 3.810 ( 4.633 0.926 0.751) 4.784 3.936 ( -4.728 -3.512 -1.445) 6.065 3.936 ( -4.728 -3.512 1.445) 6.065 4.503 ( 5.380 4.231 -0.721) 6.882 4.503 ( 5.380 4.231 0.721) 6.882 4.620 ( -5.655 3.300 -3.055) 7.225 4.620 ( -5.655 3.300 3.055) 7.225 5.152 ( 2.465 6.114 -4.821) 8.167 5.152 ( 2.465 6.114 4.821) 8.167 5.190 ( 0.840 5.244 -1.962) 5.662 5.190 ( 0.840 5.245 1.962) 5.662 5.818 ( -1.526 2.282 -0.677) 2.827 5.818 ( -1.526 2.282 0.677) 2.827 5.852 ( -1.362 0.413 -0.875) 1.670 5.852 ( -1.362 0.413 0.875) 1.670 7.201 ( 4.288 2.994 -2.078) 5.627 7.201 ( 4.288 2.994 2.078) 5.627 7.326 ( -5.978 2.580 -3.965) 7.623 7.326 ( -5.978 2.580 3.965) 7.623 7.603 ( 8.831 10.365 -1.503) 13.700 7.603 ( 8.831 10.365 1.503) 13.700 7.931 ( -1.587 1.412 -2.807) 3.520 7.931 ( -1.587 1.412 2.807) 3.520 8.265 ( 2.433 4.597 -14.645) 15.541 8.265 ( 2.433 4.597 14.645) 15.541 8.373 ( -5.129 1.377 -13.165) 14.195 8.373 ( -5.129 1.377 13.165) 14.195 9.119 ( 4.071 4.629 -4.910) 7.881 9.119 ( 4.071 4.629 4.910) 7.881 9.232 ( -3.023 1.865 -4.101) 5.426 9.232 ( -3.023 1.865 4.101) 5.426 9.465 ( 1.853 -11.207 -4.326) 12.155 9.465 ( 1.853 -11.207 4.326) 12.155 9.518 ( -0.375 -9.354 -6.263) 11.263 9.518 ( -0.375 -9.354 6.263) 11.263 9.949 ( 10.793 1.721 -2.480) 11.207 9.949 ( 10.793 1.721 2.480) 11.207 10.055 ( 4.484 2.421 -2.113) 5.516 10.055 ( 4.484 2.421 2.113) 5.516 10.324 ( -14.369 8.279 -4.133) 17.090 10.324 ( -14.369 8.279 4.133) 17.090 10.534 ( -8.301 -2.460 -4.143) 9.598 10.534 ( -8.301 -2.460 4.143) 9.598 11.300 ( 5.209 -0.392 -10.008) 11.289 11.300 ( 5.209 -0.392 10.008) 11.289 11.443 ( -4.979 -4.042 -11.932) 13.546 11.443 ( -4.979 -4.042 11.932) 13.546 11.680 ( 7.850 15.096 -3.303) 17.332 11.680 ( 7.850 15.096 3.303) 17.332 11.975 ( -7.862 9.422 -3.636) 12.799 11.975 ( -7.862 9.422 3.636) 12.799 12.719 ( 5.463 4.120 -1.433) 6.991 12.719 ( 5.463 4.120 1.433) 6.991 12.812 ( -3.982 3.591 -1.311) 5.519 12.812 ( -3.982 3.591 1.311) 5.519 13.462 ( 0.917 -1.195 -3.419) 3.736 13.462 ( 0.917 -1.195 3.419) 3.736 13.505 ( 0.249 -1.239 -5.315) 5.464 13.505 ( 0.249 -1.239 5.315) 5.464 14.994 ( 5.224 -0.463 -8.002) 9.567 14.994 ( 5.224 -0.463 8.002) 9.567 15.104 ( -1.753 -3.477 -4.610) 6.035 15.104 ( -1.753 -3.477 4.610) 6.035 15.257 ( -0.410 -2.030 -8.979) 9.214 15.257 ( -0.410 -2.030 8.979) 9.214 15.303 ( -1.947 -0.332 -4.795) 5.186 15.303 ( -1.947 -0.332 4.795) 5.186 17.341 ( 0.164 3.860 -0.458) 3.890 17.341 ( 0.164 3.860 0.458) 3.890 17.398 ( -0.792 2.579 -3.052) 4.073 17.398 ( -0.792 2.579 3.052) 4.073 18.671 ( 0.892 2.661 -4.516) 5.317 18.671 ( 0.892 2.661 4.516) 5.317 18.864 ( -1.347 -7.102 -5.512) 9.090 18.864 ( -1.347 -7.102 5.512) 9.090 21.937 ( 4.742 -1.624 -1.363) 5.194 21.937 ( 4.742 -1.624 1.363) 5.194 22.100 ( -5.015 -5.093 -1.480) 7.300 22.100 ( -5.015 -5.093 1.480) 7.300 23.836 ( 0.740 -0.503 -0.756) 1.171 23.836 ( 0.740 -0.503 0.756) 1.171 23.952 ( 0.200 -5.534 -0.648) 5.576 23.952 ( 0.200 -5.534 0.648) 5.576 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 0.000 -0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 -0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 -0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 -0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 -0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 -0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 -0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 -0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 -0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 -0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 -0.000 -0.000) 0.000 5.936 ( 0.000 0.000 -0.000) 0.000 7.205 ( 0.000 0.000 -0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 -0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 -0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 -0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 -0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 -0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 -0.000 -0.000) 0.000 9.154 ( 0.000 -0.000 0.000) 0.000 9.208 ( 0.000 0.000 -0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 -0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.753 ( 0.000 0.000 -0.000) 0.000 9.753 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 -0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 -0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.883 ( 0.000 0.000 -0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 -0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.520 ( 0.000 0.000 -0.001) 0.001 11.520 ( 0.000 0.000 0.001) 0.001 11.527 ( 0.000 -0.000 -0.001) 0.001 11.527 ( 0.000 -0.000 0.001) 0.001 12.373 ( 0.000 0.000 0.000) 0.000 12.373 ( 0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 -0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 -0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 -0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 -0.000 -0.000) 0.000 13.507 ( 0.000 -0.000 0.000) 0.000 14.868 ( 0.000 -0.000 -0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 -0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 -0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.385 ( 0.000 0.000 -0.000) 0.000 15.385 ( 0.000 0.000 0.000) 0.000 17.365 ( 0.000 0.000 -0.000) 0.000 17.365 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 -0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 -0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 18.829 ( 0.000 0.000 -0.000) 0.000 18.829 ( 0.000 0.000 0.000) 0.000 21.799 ( 0.000 0.000 -0.000) 0.000 21.799 ( 0.000 0.000 0.000) 0.000 22.179 ( 0.000 0.000 -0.000) 0.000 22.179 ( 0.000 0.000 0.000) 0.000 23.759 ( 0.000 0.000 -0.000) 0.000 23.759 ( 0.000 0.000 0.000) 0.000 23.931 ( 0.000 0.000 -0.000) 0.000 23.931 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 3.592 0.000 -0.000) 3.592 2.779 ( 3.592 0.000 0.000) 3.592 3.086 ( -5.042 0.000 -0.000) 5.042 3.086 ( -5.042 0.000 0.000) 5.042 3.141 ( 3.297 0.000 -0.000) 3.297 3.141 ( 3.297 0.000 0.000) 3.297 3.250 ( 2.679 0.000 -0.000) 2.679 3.250 ( 2.679 0.000 0.000) 2.679 3.513 ( -2.844 0.000 0.000) 2.844 3.513 ( -2.844 0.000 -0.000) 2.844 3.527 ( -2.966 -0.000 0.000) 2.966 3.527 ( -2.966 -0.000 0.000) 2.966 3.743 ( 3.164 0.000 -0.000) 3.164 3.743 ( 3.164 0.000 0.000) 3.164 3.959 ( -1.458 0.000 -0.000) 1.458 3.959 ( -1.458 0.000 0.000) 1.458 4.501 ( 0.055 0.000 0.000) 0.055 4.501 ( 0.055 0.000 0.000) 0.055 4.738 ( -2.730 0.000 -0.000) 2.730 4.738 ( -2.730 0.000 0.000) 2.730 5.124 ( 4.736 0.000 -0.000) 4.736 5.124 ( 4.736 0.000 0.000) 4.736 5.214 ( 1.532 0.000 -0.000) 1.532 5.214 ( 1.532 0.000 0.000) 1.532 5.900 ( -2.757 -0.913 -0.107) 2.906 5.900 ( -2.801 -0.890 0.104) 2.941 5.900 ( -2.487 0.891 -0.104) 2.644 5.900 ( -2.531 0.913 0.107) 2.693 7.187 ( 0.484 0.000 -0.000) 0.484 7.187 ( 0.484 0.000 0.000) 0.484 7.466 ( 12.781 0.000 -0.000) 12.781 7.466 ( 12.781 0.000 0.000) 12.781 7.492 ( -7.709 0.000 -0.000) 7.709 7.492 ( -7.710 0.000 0.000) 7.710 7.937 ( 2.645 0.000 -0.000) 2.645 7.937 ( 2.645 0.000 0.000) 2.645 8.279 ( 0.310 0.000 -0.000) 0.310 8.279 ( 0.310 0.000 0.000) 0.310 8.468 ( -2.355 0.000 -0.000) 2.355 8.468 ( -2.355 0.000 0.000) 2.355 9.175 ( 1.875 -0.000 -0.000) 1.875 9.175 ( 1.875 -0.000 0.000) 1.875 9.218 ( 0.810 0.000 -0.000) 0.810 9.218 ( 0.810 0.000 0.000) 0.810 9.260 ( 2.370 0.000 0.000) 2.370 9.260 ( 2.370 0.000 0.000) 2.370 9.522 ( -5.525 0.000 -0.000) 5.525 9.522 ( -5.525 0.000 0.000) 5.525 9.789 ( 4.483 0.000 -0.000) 4.483 9.789 ( 4.483 0.000 0.000) 4.483 9.943 ( 8.438 0.000 -0.000) 8.438 9.943 ( 8.438 0.000 0.000) 8.438 10.703 ( -12.532 0.000 -0.000) 12.532 10.703 ( -12.532 0.000 0.000) 12.532 10.738 ( -11.893 0.000 -0.000) 11.893 10.738 ( -11.893 0.000 0.000) 11.893 11.182 ( 4.333 0.000 -0.000) 4.333 11.182 ( 4.333 0.000 0.000) 4.333 11.482 ( -3.701 0.000 -0.000) 3.701 11.482 ( -3.701 0.000 0.000) 3.701 11.632 ( 9.485 0.000 -0.000) 9.485 11.632 ( 9.485 0.000 0.000) 9.485 12.268 ( -8.709 0.000 -0.000) 8.709 12.268 ( -8.709 0.000 0.000) 8.709 12.658 ( 5.916 0.000 -0.000) 5.916 12.658 ( 5.916 0.000 0.000) 5.916 12.909 ( -1.686 0.000 -0.000) 1.686 12.909 ( -1.686 0.000 0.000) 1.686 13.379 ( 2.817 0.000 -0.000) 2.817 13.379 ( 2.817 0.000 0.000) 2.817 13.503 ( -0.522 -0.000 -0.000) 0.522 13.503 ( -0.522 -0.000 0.000) 0.522 14.898 ( 2.969 -0.000 -0.000) 2.969 14.898 ( 2.969 0.000 0.000) 2.969 15.088 ( -0.465 0.000 -0.000) 0.465 15.088 ( -0.465 0.000 0.000) 0.465 15.225 ( 0.500 0.000 -0.000) 0.500 15.225 ( 0.500 0.000 0.000) 0.500 15.367 ( -1.821 0.000 -0.000) 1.821 15.367 ( -1.821 0.000 0.000) 1.821 17.369 ( 0.456 0.000 -0.000) 0.456 17.369 ( 0.456 0.000 0.000) 0.456 17.453 ( -1.642 0.000 -0.000) 1.642 17.453 ( -1.642 0.000 0.000) 1.642 18.684 ( 1.512 0.000 -0.000) 1.512 18.684 ( 1.512 0.000 0.000) 1.512 18.813 ( -1.576 0.000 -0.000) 1.576 18.813 ( -1.576 0.000 0.000) 1.576 21.833 ( 3.391 0.000 -0.000) 3.391 21.833 ( 3.391 0.000 0.000) 3.391 22.139 ( -3.930 0.000 -0.000) 3.930 22.139 ( -3.930 0.000 0.000) 3.930 23.784 ( 2.315 0.000 -0.000) 2.315 23.784 ( 2.315 0.000 0.000) 2.315 23.921 ( -1.017 0.000 -0.000) 1.017 23.921 ( -1.017 0.000 0.000) 1.017 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 5.392 0.000 -0.000) 5.392 2.870 ( 5.392 0.000 0.000) 5.392 2.979 ( -5.696 0.000 0.000) 5.696 2.979 ( -5.696 0.000 0.000) 5.696 3.227 ( 4.905 0.000 -0.000) 4.905 3.227 ( 4.905 0.000 0.000) 4.905 3.285 ( -0.012 0.000 -0.000) 0.012 3.285 ( -0.012 0.000 0.000) 0.012 3.458 ( -2.297 0.000 0.000) 2.297 3.458 ( -2.297 0.000 -0.000) 2.297 3.459 ( -2.885 -0.000 -0.000) 2.885 3.459 ( -2.885 -0.000 0.000) 2.885 3.817 ( 4.347 0.000 0.000) 4.347 3.817 ( 4.347 0.000 0.000) 4.347 3.903 ( -4.078 0.000 -0.000) 4.078 3.903 ( -4.078 0.000 0.000) 4.078 4.546 ( 4.597 0.000 0.000) 4.597 4.546 ( 4.597 0.000 0.000) 4.597 4.654 ( -5.579 0.000 -0.000) 5.579 4.654 ( -5.579 0.000 0.000) 5.579 5.213 ( 3.576 0.000 -0.000) 3.576 5.213 ( 3.576 0.000 0.000) 3.576 5.242 ( 0.560 0.000 -0.000) 0.560 5.242 ( 0.560 0.000 0.000) 0.560 5.847 ( -1.484 0.000 -0.000) 1.484 5.847 ( -1.484 0.000 -0.000) 1.484 5.854 ( -1.946 0.000 0.000) 1.946 5.854 ( -1.946 0.000 0.000) 1.946 7.235 ( 4.270 0.000 -0.000) 4.270 7.235 ( 4.270 0.000 0.000) 4.270 7.345 ( -6.871 0.000 -0.000) 6.871 7.345 ( -6.871 0.000 0.000) 6.871 7.738 ( 13.495 0.000 -0.000) 13.495 7.738 ( 13.495 0.000 0.000) 13.495 7.926 ( -4.829 0.000 -0.000) 4.829 7.926 ( -4.829 0.000 0.000) 4.829 8.300 ( 2.233 0.000 -0.000) 2.233 8.300 ( 2.233 0.000 0.000) 2.233 8.380 ( -5.648 0.000 -0.000) 5.648 8.380 ( -5.648 0.000 0.000) 5.648 9.210 ( 1.527 -0.000 -0.000) 1.527 9.210 ( 1.527 -0.000 0.000) 1.527 9.227 ( -0.116 0.000 -0.000) 0.116 9.227 ( -0.116 0.000 0.000) 0.116 9.332 ( 4.347 0.000 -0.000) 4.347 9.332 ( 4.347 0.000 0.000) 4.347 9.419 ( -4.819 0.000 -0.000) 4.819 9.419 ( -4.819 0.000 0.000) 4.819 9.957 ( 12.374 0.000 -0.000) 12.374 9.957 ( 12.374 0.000 0.000) 12.374 10.102 ( 4.308 0.000 -0.000) 4.308 10.102 ( 4.308 0.000 0.000) 4.308 10.429 ( -10.831 0.000 -0.000) 10.831 10.429 ( -10.831 -0.000 0.000) 10.831 10.493 ( -11.867 0.000 -0.000) 11.867 10.493 ( -11.867 0.000 0.000) 11.867 11.277 ( 5.435 0.000 -0.000) 5.435 11.277 ( 5.435 0.000 0.000) 5.435 11.387 ( -5.646 0.000 -0.000) 5.646 11.387 ( -5.646 0.000 0.000) 5.646 11.847 ( 11.792 0.000 -0.000) 11.792 11.847 ( 11.792 0.000 0.000) 11.792 12.072 ( -11.109 0.000 -0.000) 11.109 12.072 ( -11.109 0.000 0.000) 11.109 12.771 ( 5.355 0.000 -0.000) 5.355 12.771 ( 5.355 0.000 0.000) 5.355 12.858 ( -3.575 0.000 -0.000) 3.575 12.858 ( -3.575 0.000 0.000) 3.575 13.439 ( 2.891 0.000 -0.000) 2.891 13.439 ( 2.891 0.000 0.000) 2.891 13.483 ( -1.605 -0.000 -0.000) 1.605 13.483 ( -1.605 -0.000 0.000) 1.605 14.973 ( 4.370 0.000 -0.000) 4.370 14.973 ( 4.370 0.000 0.000) 4.370 15.052 ( -3.306 0.000 -0.000) 3.306 15.052 ( -3.306 0.000 0.000) 3.306 15.258 ( 2.753 0.000 -0.001) 2.753 15.258 ( 2.753 0.000 0.001) 2.753 15.318 ( -3.081 0.000 -0.000) 3.081 15.318 ( -3.081 0.000 0.000) 3.081 17.385 ( 1.195 0.000 -0.000) 1.195 17.385 ( 1.195 0.000 0.000) 1.195 17.416 ( -1.915 0.000 -0.000) 1.915 17.416 ( -1.915 0.000 0.000) 1.915 18.724 ( 2.411 0.000 -0.000) 2.411 18.724 ( 2.411 0.000 0.000) 2.411 18.773 ( -2.458 0.000 -0.000) 2.458 18.773 ( -2.458 -0.000 0.000) 2.458 21.923 ( 5.626 0.000 -0.000) 5.626 21.923 ( 5.626 0.000 0.000) 5.626 22.039 ( -5.942 0.000 -0.000) 5.942 22.039 ( -5.942 0.000 0.000) 5.942 23.838 ( 2.978 0.000 -0.000) 2.978 23.838 ( 2.978 0.000 0.000) 2.978 23.890 ( -2.196 0.000 -0.000) 2.196 23.890 ( -2.196 0.000 0.000) 2.196 =================== 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 3/26880 10.0 3664.984 3242.066 1443.894 0.000 0.000 -0.000 3/26880 20.0 659.501 985.471 621.095 0.000 0.000 -0.000 3/26880 30.0 226.677 403.879 245.816 0.000 0.000 0.000 3/26880 40.0 112.717 218.509 126.884 0.000 0.000 0.000 3/26880 50.0 68.525 138.106 77.743 0.000 0.000 0.000 3/26880 60.0 46.687 95.929 52.995 0.000 0.000 0.000 3/26880 70.0 34.229 71.122 38.802 0.000 0.000 0.000 3/26880 80.0 26.438 55.354 29.917 0.000 0.000 0.000 3/26880 90.0 21.239 44.729 23.990 0.000 0.000 0.000 3/26880 100.0 17.593 37.230 19.840 0.000 0.000 0.000 3/26880 110.0 14.934 31.733 16.817 0.000 0.000 0.000 3/26880 120.0 12.929 27.574 14.545 0.000 0.000 0.000 3/26880 130.0 11.376 24.342 12.790 0.000 0.000 0.000 3/26880 140.0 10.145 21.772 11.402 0.000 0.000 0.000 3/26880 150.0 9.149 19.688 10.283 0.000 0.000 0.000 3/26880 160.0 8.330 17.970 9.365 0.000 0.000 0.000 3/26880 170.0 7.645 16.531 8.599 0.000 0.000 0.000 3/26880 180.0 7.065 15.311 7.952 0.000 0.000 0.000 3/26880 190.0 6.568 14.264 7.400 0.000 0.000 0.000 3/26880 200.0 6.139 13.356 6.922 0.000 0.000 0.000 3/26880 210.0 5.763 12.562 6.505 0.000 0.000 0.000 3/26880 220.0 5.433 11.862 6.138 0.000 0.000 0.000 3/26880 230.0 5.139 11.240 5.812 0.000 0.000 0.000 3/26880 240.0 4.877 10.683 5.521 0.000 0.000 0.000 3/26880 250.0 4.642 10.182 5.260 0.000 0.000 0.000 3/26880 260.0 4.429 9.729 5.023 0.000 0.000 0.000 3/26880 270.0 4.236 9.316 4.809 0.000 0.000 0.000 3/26880 280.0 4.059 8.939 4.613 0.000 0.000 0.000 3/26880 290.0 3.898 8.594 4.433 0.000 0.000 0.000 3/26880 300.0 3.749 8.275 4.267 0.000 0.000 0.000 3/26880 310.0 3.612 7.981 4.114 0.000 0.000 0.000 3/26880 320.0 3.485 7.708 3.973 0.000 0.000 0.000 3/26880 330.0 3.367 7.454 3.841 0.000 0.000 0.000 3/26880 340.0 3.257 7.217 3.718 0.000 0.000 0.000 3/26880 350.0 3.154 6.996 3.603 0.000 0.000 0.000 3/26880 360.0 3.058 6.788 3.495 0.000 0.000 0.000 3/26880 370.0 2.968 6.593 3.394 0.000 0.000 0.000 3/26880 380.0 2.883 6.409 3.298 0.000 0.000 0.000 3/26880 390.0 2.803 6.236 3.208 0.000 0.000 0.000 3/26880 400.0 2.728 6.072 3.124 0.000 0.000 0.000 3/26880 410.0 2.656 5.917 3.043 0.000 0.000 0.000 3/26880 420.0 2.589 5.769 2.967 0.000 0.000 0.000 3/26880 430.0 2.524 5.630 2.895 0.000 0.000 0.000 3/26880 440.0 2.464 5.497 2.826 0.000 0.000 0.000 3/26880 450.0 2.406 5.370 2.760 0.000 0.000 0.000 3/26880 460.0 2.350 5.250 2.698 0.000 0.000 0.000 3/26880 470.0 2.298 5.134 2.638 0.000 0.000 0.000 3/26880 480.0 2.247 5.024 2.581 0.000 0.000 0.000 3/26880 490.0 2.199 4.919 2.527 0.000 0.000 0.000 3/26880 500.0 2.153 4.818 2.474 0.000 0.000 0.000 3/26880 510.0 2.109 4.721 2.424 0.000 0.000 0.000 3/26880 520.0 2.067 4.628 2.376 0.000 0.000 0.000 3/26880 530.0 2.026 4.539 2.330 0.000 0.000 0.000 3/26880 540.0 1.987 4.453 2.286 0.000 0.000 0.000 3/26880 550.0 1.950 4.371 2.243 0.000 0.000 0.000 3/26880 560.0 1.914 4.291 2.202 0.000 0.000 0.000 3/26880 570.0 1.879 4.215 2.163 0.000 0.000 0.000 3/26880 580.0 1.846 4.141 2.124 0.000 0.000 0.000 3/26880 590.0 1.814 4.070 2.088 0.000 0.000 0.000 3/26880 600.0 1.782 4.001 2.052 0.000 0.000 0.000 3/26880 610.0 1.752 3.934 2.018 0.000 0.000 0.000 3/26880 620.0 1.723 3.870 1.985 0.000 0.000 0.000 3/26880 630.0 1.695 3.808 1.953 0.000 0.000 0.000 3/26880 640.0 1.668 3.748 1.921 0.000 0.000 0.000 3/26880 650.0 1.642 3.689 1.891 0.000 0.000 0.000 3/26880 660.0 1.616 3.633 1.862 0.000 0.000 0.000 3/26880 670.0 1.592 3.578 1.834 0.000 0.000 0.000 3/26880 680.0 1.568 3.525 1.807 0.000 0.000 0.000 3/26880 690.0 1.544 3.473 1.780 0.000 0.000 0.000 3/26880 700.0 1.522 3.423 1.754 0.000 0.000 0.000 3/26880 710.0 1.500 3.375 1.729 0.000 0.000 0.000 3/26880 720.0 1.479 3.327 1.705 0.000 0.000 0.000 3/26880 730.0 1.458 3.281 1.681 0.000 0.000 0.000 3/26880 740.0 1.438 3.237 1.658 0.000 0.000 0.000 3/26880 750.0 1.419 3.193 1.636 0.000 0.000 0.000 3/26880 760.0 1.400 3.151 1.614 0.000 0.000 0.000 3/26880 770.0 1.381 3.110 1.593 0.000 0.000 0.000 3/26880 780.0 1.363 3.070 1.572 0.000 0.000 0.000 3/26880 790.0 1.346 3.031 1.552 0.000 0.000 0.000 3/26880 800.0 1.328 2.993 1.533 0.000 0.000 0.000 3/26880 810.0 1.312 2.955 1.513 0.000 0.000 0.000 3/26880 820.0 1.296 2.919 1.495 0.000 0.000 0.000 3/26880 830.0 1.280 2.884 1.477 0.000 0.000 0.000 3/26880 840.0 1.264 2.849 1.459 0.000 0.000 0.000 3/26880 850.0 1.249 2.816 1.442 0.000 0.000 0.000 3/26880 860.0 1.235 2.783 1.425 0.000 0.000 0.000 3/26880 870.0 1.220 2.751 1.408 0.000 0.000 0.000 3/26880 880.0 1.206 2.719 1.392 0.000 0.000 0.000 3/26880 890.0 1.192 2.689 1.376 0.000 0.000 0.000 3/26880 900.0 1.179 2.659 1.361 0.000 0.000 0.000 3/26880 910.0 1.166 2.629 1.346 0.000 0.000 0.000 3/26880 920.0 1.153 2.601 1.331 0.000 0.000 0.000 3/26880 930.0 1.141 2.573 1.317 0.000 0.000 0.000 3/26880 940.0 1.128 2.545 1.303 0.000 0.000 0.000 3/26880 950.0 1.116 2.518 1.289 0.000 0.000 0.000 3/26880 960.0 1.105 2.492 1.275 0.000 0.000 0.000 3/26880 970.0 1.093 2.466 1.262 0.000 0.000 0.000 3/26880 980.0 1.082 2.441 1.249 0.000 0.000 0.000 3/26880 990.0 1.071 2.416 1.236 0.000 0.000 0.000 3/26880 1000.0 1.060 2.392 1.224 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:25:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|