----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:43:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.175519135000001 -6.244156090000001 0.000000000000000 b 3.175519135000001 6.244156090000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): *1 H 0.12992073563447 0.50275518558646 0.87950654167011 1.008 *2 H 0.32222609292754 0.01936000146881 0.52549895495123 1.008 3 H 0.01936000146881 0.32222609292754 0.47450104504877 1.008 4 H 0.67777390707246 0.98063999853119 0.02549895495123 1.008 5 H 0.67777390707246 0.98063999853119 0.47450104504877 1.008 6 H 0.98063999853119 0.67777390707246 0.52549895495123 1.008 7 H 0.32222609292754 0.01936000146881 0.97450104504877 1.008 8 H 0.01936000146881 0.32222609292754 0.02549895495123 1.008 9 H 0.50275518558646 0.12992073563447 0.37950654167011 1.008 10 H 0.12992073563447 0.50275518558646 0.62049345832989 1.008 11 H 0.49724481441354 0.87007926436553 0.87950654167011 1.008 12 H 0.87007926436553 0.49724481441354 0.12049345832989 1.008 13 H 0.49724481441354 0.87007926436553 0.62049345832989 1.008 14 H 0.87007926436553 0.49724481441354 0.37950654167011 1.008 *15 H 0.23267851683504 0.51473735476119 0.25000000000000 1.008 16 H 0.50275518558646 0.12992073563447 0.12049345832989 1.008 17 H 0.76732148316496 0.48526264523881 0.75000000000000 1.008 18 H 0.48526264523881 0.76732148316496 0.25000000000000 1.008 19 H 0.51473735476119 0.23267851683504 0.75000000000000 1.008 20 H 0.98063999853119 0.67777390707246 0.97450104504877 1.008 *21 O 0.36489416888808 0.11594260823210 0.42813961646667 15.999 22 O 0.11594260823210 0.36489416888808 0.57186038353333 15.999 23 O 0.63510583111192 0.88405739176790 0.92813961646667 15.999 24 O 0.88405739176790 0.63510583111192 0.07186038353333 15.999 25 O 0.63510583111192 0.88405739176790 0.57186038353333 15.999 26 O 0.88405739176790 0.63510583111192 0.42813961646667 15.999 27 O 0.36489416888808 0.11594260823210 0.07186038353333 15.999 28 O 0.11594260823210 0.36489416888808 0.92813961646667 15.999 *29 O 0.40565406948272 0.59434593051728 0.25000000000000 15.999 30 O 0.59434593051728 0.40565406948272 0.75000000000000 15.999 *31 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *32 Na 0.04772388523981 0.95227611476019 0.25000000000000 22.990 33 Na 0.95227611476019 0.04772388523981 0.75000000000000 22.990 34 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *35 S 0.19002822505551 0.80997177494449 0.75000000000000 32.065 36 S 0.80997177494449 0.19002822505551 0.25000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.351038270000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488312180000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): *1 H 0.31633796061046 0.18641722497599 0.87950654167011 1.008 > 1 *2 H 0.67079304719817 0.34856695427063 0.52549895495123 1.008 > 2 3 H 0.17079304719817 0.15143304572937 0.47450104504877 1.008 > 3 4 H 0.82920695280183 0.15143304572937 0.02549895495123 1.008 > 4 5 H 0.82920695280183 0.15143304572937 0.47450104504877 1.008 > 5 6 H 0.32920695280183 0.34856695427063 0.52549895495123 1.008 > 6 7 H 0.67079304719817 0.34856695427063 0.97450104504877 1.008 > 7 8 H 0.17079304719817 0.15143304572937 0.02549895495123 1.008 > 8 9 H 0.81633796061047 0.31358277502401 0.37950654167011 1.008 > 9 10 H 0.31633796061046 0.18641722497599 0.62049345832989 1.008 > 10 11 H 0.68366203938953 0.18641722497599 0.87950654167011 1.008 > 11 12 H 0.18366203938953 0.31358277502401 0.12049345832989 1.008 > 12 13 H 0.68366203938953 0.18641722497599 0.62049345832989 1.008 > 13 14 H 0.18366203938953 0.31358277502401 0.37950654167011 1.008 > 14 *15 H 0.37370793579811 0.14102941896307 0.25000000000000 1.008 > 15 16 H 0.81633796061047 0.31358277502401 0.12049345832989 1.008 > 16 17 H 0.12629206420189 0.35897058103693 0.75000000000000 1.008 > 17 18 H 0.62629206420189 0.14102941896307 0.25000000000000 1.008 > 18 19 H 0.87370793579811 0.35897058103693 0.75000000000000 1.008 > 19 20 H 0.32920695280183 0.34856695427063 0.97450104504877 1.008 > 20 21 H 0.81633796061047 0.68641722497599 0.87950654167011 1.008 > 1 22 H 0.17079304719817 0.84856695427063 0.52549895495123 1.008 > 2 23 H 0.67079304719817 0.65143304572937 0.47450104504877 1.008 > 3 24 H 0.32920695280183 0.65143304572937 0.02549895495123 1.008 > 4 25 H 0.32920695280183 0.65143304572937 0.47450104504877 1.008 > 5 26 H 0.82920695280183 0.84856695427063 0.52549895495123 1.008 > 6 27 H 0.17079304719817 0.84856695427063 0.97450104504877 1.008 > 7 28 H 0.67079304719817 0.65143304572937 0.02549895495123 1.008 > 8 29 H 0.31633796061046 0.81358277502401 0.37950654167011 1.008 > 9 30 H 0.81633796061047 0.68641722497599 0.62049345832989 1.008 > 10 31 H 0.18366203938953 0.68641722497599 0.87950654167011 1.008 > 11 32 H 0.68366203938953 0.81358277502401 0.12049345832989 1.008 > 12 33 H 0.18366203938953 0.68641722497599 0.62049345832989 1.008 > 13 34 H 0.68366203938953 0.81358277502401 0.37950654167011 1.008 > 14 35 H 0.87370793579811 0.64102941896307 0.25000000000000 1.008 > 15 36 H 0.31633796061046 0.81358277502401 0.12049345832989 1.008 > 16 37 H 0.62629206420189 0.85897058103693 0.75000000000000 1.008 > 17 38 H 0.12629206420189 0.64102941896307 0.25000000000000 1.008 > 18 39 H 0.37370793579811 0.85897058103693 0.75000000000000 1.008 > 19 40 H 0.82920695280183 0.84856695427063 0.97450104504877 1.008 > 20 *41 O 0.74041838856009 0.37552421967201 0.42813961646667 15.999 > 21 42 O 0.24041838856009 0.12447578032799 0.57186038353333 15.999 > 22 43 O 0.75958161143991 0.12447578032799 0.92813961646667 15.999 > 23 44 O 0.25958161143991 0.37552421967201 0.07186038353333 15.999 > 24 45 O 0.75958161143991 0.12447578032799 0.57186038353333 15.999 > 25 46 O 0.25958161143991 0.37552421967201 0.42813961646667 15.999 > 26 47 O 0.74041838856009 0.37552421967201 0.07186038353333 15.999 > 27 48 O 0.24041838856009 0.12447578032799 0.92813961646667 15.999 > 28 *49 O 0.50000000000000 0.09434593051728 0.25000000000000 15.999 > 29 50 O 0.00000000000000 0.40565406948272 0.75000000000000 15.999 > 30 51 O 0.24041838856009 0.87552421967201 0.42813961646667 15.999 > 21 52 O 0.74041838856009 0.62447578032799 0.57186038353333 15.999 > 22 53 O 0.25958161143991 0.62447578032799 0.92813961646667 15.999 > 23 54 O 0.75958161143991 0.87552421967201 0.07186038353333 15.999 > 24 55 O 0.25958161143991 0.62447578032799 0.57186038353333 15.999 > 25 56 O 0.75958161143991 0.87552421967201 0.42813961646667 15.999 > 26 57 O 0.24041838856009 0.87552421967201 0.07186038353333 15.999 > 27 58 O 0.74041838856009 0.62447578032799 0.92813961646667 15.999 > 28 59 O 0.00000000000000 0.59434593051728 0.25000000000000 15.999 > 29 60 O 0.50000000000000 0.90565406948272 0.75000000000000 15.999 > 30 *61 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 31 *62 Na 0.50000000000000 0.45227611476019 0.25000000000000 22.990 > 32 63 Na 0.00000000000000 0.04772388523981 0.75000000000000 22.990 > 33 64 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 34 65 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 31 66 Na 0.00000000000000 0.95227611476019 0.25000000000000 22.990 > 32 67 Na 0.50000000000000 0.54772388523981 0.75000000000000 22.990 > 33 68 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 34 *69 S 0.50000000000000 0.30997177494449 0.75000000000000 32.065 > 35 70 S 0.00000000000000 0.19002822505551 0.25000000000000 32.065 > 36 71 S 0.00000000000000 0.80997177494449 0.75000000000000 32.065 > 35 72 S 0.50000000000000 0.69002822505551 0.25000000000000 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.702076540000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488312180000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): *1 H 0.15816898030523 0.18641722497599 0.87950654167011 1.008 > 1 2 H 0.65816898030523 0.18641722497599 0.87950654167011 1.008 > 1 *3 H 0.33539652359909 0.34856695427063 0.52549895495123 1.008 > 2 4 H 0.83539652359909 0.34856695427063 0.52549895495123 1.008 > 2 5 H 0.08539652359909 0.15143304572937 0.47450104504877 1.008 > 3 6 H 0.58539652359909 0.15143304572937 0.47450104504877 1.008 > 3 7 H 0.41460347640091 0.15143304572937 0.02549895495123 1.008 > 4 8 H 0.91460347640091 0.15143304572937 0.02549895495123 1.008 > 4 9 H 0.41460347640091 0.15143304572937 0.47450104504877 1.008 > 5 10 H 0.91460347640091 0.15143304572937 0.47450104504877 1.008 > 5 11 H 0.16460347640091 0.34856695427063 0.52549895495123 1.008 > 6 12 H 0.66460347640091 0.34856695427063 0.52549895495123 1.008 > 6 13 H 0.33539652359909 0.34856695427063 0.97450104504877 1.008 > 7 14 H 0.83539652359909 0.34856695427063 0.97450104504877 1.008 > 7 15 H 0.08539652359909 0.15143304572937 0.02549895495123 1.008 > 8 16 H 0.58539652359909 0.15143304572937 0.02549895495123 1.008 > 8 17 H 0.40816898030523 0.31358277502401 0.37950654167011 1.008 > 9 18 H 0.90816898030523 0.31358277502401 0.37950654167011 1.008 > 9 19 H 0.15816898030523 0.18641722497599 0.62049345832989 1.008 > 10 20 H 0.65816898030523 0.18641722497599 0.62049345832989 1.008 > 10 21 H 0.34183101969477 0.18641722497599 0.87950654167011 1.008 > 11 22 H 0.84183101969477 0.18641722497599 0.87950654167011 1.008 > 11 23 H 0.09183101969477 0.31358277502401 0.12049345832989 1.008 > 12 24 H 0.59183101969477 0.31358277502401 0.12049345832989 1.008 > 12 25 H 0.34183101969477 0.18641722497599 0.62049345832989 1.008 > 13 26 H 0.84183101969477 0.18641722497599 0.62049345832989 1.008 > 13 27 H 0.09183101969477 0.31358277502401 0.37950654167011 1.008 > 14 28 H 0.59183101969477 0.31358277502401 0.37950654167011 1.008 > 14 *29 H 0.18685396789906 0.14102941896307 0.25000000000000 1.008 > 15 30 H 0.68685396789906 0.14102941896307 0.25000000000000 1.008 > 15 31 H 0.40816898030523 0.31358277502401 0.12049345832989 1.008 > 16 32 H 0.90816898030523 0.31358277502401 0.12049345832989 1.008 > 16 33 H 0.06314603210094 0.35897058103693 0.75000000000000 1.008 > 17 34 H 0.56314603210094 0.35897058103693 0.75000000000000 1.008 > 17 35 H 0.31314603210094 0.14102941896307 0.25000000000000 1.008 > 18 36 H 0.81314603210094 0.14102941896307 0.25000000000000 1.008 > 18 37 H 0.43685396789906 0.35897058103693 0.75000000000000 1.008 > 19 38 H 0.93685396789906 0.35897058103693 0.75000000000000 1.008 > 19 39 H 0.16460347640091 0.34856695427063 0.97450104504877 1.008 > 20 40 H 0.66460347640091 0.34856695427063 0.97450104504877 1.008 > 20 41 H 0.40816898030523 0.68641722497599 0.87950654167011 1.008 > 1 42 H 0.90816898030523 0.68641722497599 0.87950654167011 1.008 > 1 43 H 0.08539652359909 0.84856695427063 0.52549895495123 1.008 > 2 44 H 0.58539652359909 0.84856695427063 0.52549895495123 1.008 > 2 45 H 0.33539652359909 0.65143304572937 0.47450104504877 1.008 > 3 46 H 0.83539652359909 0.65143304572937 0.47450104504877 1.008 > 3 47 H 0.16460347640091 0.65143304572937 0.02549895495123 1.008 > 4 48 H 0.66460347640091 0.65143304572937 0.02549895495123 1.008 > 4 49 H 0.16460347640091 0.65143304572937 0.47450104504877 1.008 > 5 50 H 0.66460347640091 0.65143304572937 0.47450104504877 1.008 > 5 51 H 0.41460347640091 0.84856695427063 0.52549895495123 1.008 > 6 52 H 0.91460347640091 0.84856695427063 0.52549895495123 1.008 > 6 53 H 0.08539652359909 0.84856695427063 0.97450104504877 1.008 > 7 54 H 0.58539652359909 0.84856695427063 0.97450104504877 1.008 > 7 55 H 0.33539652359909 0.65143304572937 0.02549895495123 1.008 > 8 56 H 0.83539652359909 0.65143304572937 0.02549895495123 1.008 > 8 57 H 0.15816898030523 0.81358277502401 0.37950654167011 1.008 > 9 58 H 0.65816898030523 0.81358277502401 0.37950654167011 1.008 > 9 59 H 0.40816898030523 0.68641722497599 0.62049345832989 1.008 > 10 60 H 0.90816898030523 0.68641722497599 0.62049345832989 1.008 > 10 61 H 0.09183101969477 0.68641722497599 0.87950654167011 1.008 > 11 62 H 0.59183101969477 0.68641722497599 0.87950654167011 1.008 > 11 63 H 0.34183101969477 0.81358277502401 0.12049345832989 1.008 > 12 64 H 0.84183101969477 0.81358277502401 0.12049345832989 1.008 > 12 65 H 0.09183101969477 0.68641722497599 0.62049345832989 1.008 > 13 66 H 0.59183101969477 0.68641722497599 0.62049345832989 1.008 > 13 67 H 0.34183101969477 0.81358277502401 0.37950654167011 1.008 > 14 68 H 0.84183101969477 0.81358277502401 0.37950654167011 1.008 > 14 69 H 0.43685396789906 0.64102941896307 0.25000000000000 1.008 > 15 70 H 0.93685396789906 0.64102941896307 0.25000000000000 1.008 > 15 71 H 0.15816898030523 0.81358277502401 0.12049345832989 1.008 > 16 72 H 0.65816898030523 0.81358277502401 0.12049345832989 1.008 > 16 73 H 0.31314603210094 0.85897058103693 0.75000000000000 1.008 > 17 74 H 0.81314603210094 0.85897058103693 0.75000000000000 1.008 > 17 75 H 0.06314603210094 0.64102941896307 0.25000000000000 1.008 > 18 76 H 0.56314603210094 0.64102941896307 0.25000000000000 1.008 > 18 77 H 0.18685396789906 0.85897058103693 0.75000000000000 1.008 > 19 78 H 0.68685396789906 0.85897058103693 0.75000000000000 1.008 > 19 79 H 0.41460347640091 0.84856695427063 0.97450104504877 1.008 > 20 80 H 0.91460347640091 0.84856695427063 0.97450104504877 1.008 > 20 *81 O 0.37020919428004 0.37552421967201 0.42813961646667 15.999 > 21 82 O 0.87020919428004 0.37552421967201 0.42813961646667 15.999 > 21 83 O 0.12020919428004 0.12447578032799 0.57186038353333 15.999 > 22 84 O 0.62020919428004 0.12447578032799 0.57186038353333 15.999 > 22 85 O 0.37979080571996 0.12447578032799 0.92813961646667 15.999 > 23 86 O 0.87979080571996 0.12447578032799 0.92813961646667 15.999 > 23 87 O 0.12979080571996 0.37552421967201 0.07186038353333 15.999 > 24 88 O 0.62979080571996 0.37552421967201 0.07186038353333 15.999 > 24 89 O 0.37979080571996 0.12447578032799 0.57186038353333 15.999 > 25 90 O 0.87979080571996 0.12447578032799 0.57186038353333 15.999 > 25 91 O 0.12979080571996 0.37552421967201 0.42813961646667 15.999 > 26 92 O 0.62979080571996 0.37552421967201 0.42813961646667 15.999 > 26 93 O 0.37020919428004 0.37552421967201 0.07186038353333 15.999 > 27 94 O 0.87020919428004 0.37552421967201 0.07186038353333 15.999 > 27 95 O 0.12020919428004 0.12447578032799 0.92813961646667 15.999 > 28 96 O 0.62020919428004 0.12447578032799 0.92813961646667 15.999 > 28 *97 O 0.25000000000000 0.09434593051728 0.25000000000000 15.999 > 29 98 O 0.75000000000000 0.09434593051728 0.25000000000000 15.999 > 29 99 O 0.00000000000000 0.40565406948272 0.75000000000000 15.999 > 30 100 O 0.50000000000000 0.40565406948272 0.75000000000000 15.999 > 30 101 O 0.12020919428004 0.87552421967201 0.42813961646667 15.999 > 21 102 O 0.62020919428004 0.87552421967201 0.42813961646667 15.999 > 21 103 O 0.37020919428004 0.62447578032799 0.57186038353333 15.999 > 22 104 O 0.87020919428004 0.62447578032799 0.57186038353333 15.999 > 22 105 O 0.12979080571996 0.62447578032799 0.92813961646667 15.999 > 23 106 O 0.62979080571996 0.62447578032799 0.92813961646667 15.999 > 23 107 O 0.37979080571996 0.87552421967201 0.07186038353333 15.999 > 24 108 O 0.87979080571996 0.87552421967201 0.07186038353333 15.999 > 24 109 O 0.12979080571996 0.62447578032799 0.57186038353333 15.999 > 25 110 O 0.62979080571996 0.62447578032799 0.57186038353333 15.999 > 25 111 O 0.37979080571996 0.87552421967201 0.42813961646667 15.999 > 26 112 O 0.87979080571996 0.87552421967201 0.42813961646667 15.999 > 26 113 O 0.12020919428004 0.87552421967201 0.07186038353333 15.999 > 27 114 O 0.62020919428004 0.87552421967201 0.07186038353333 15.999 > 27 115 O 0.37020919428004 0.62447578032799 0.92813961646667 15.999 > 28 116 O 0.87020919428004 0.62447578032799 0.92813961646667 15.999 > 28 117 O 0.00000000000000 0.59434593051728 0.25000000000000 15.999 > 29 118 O 0.50000000000000 0.59434593051728 0.25000000000000 15.999 > 29 119 O 0.25000000000000 0.90565406948272 0.75000000000000 15.999 > 30 120 O 0.75000000000000 0.90565406948272 0.75000000000000 15.999 > 30 *121 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 31 122 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 31 *123 Na 0.25000000000000 0.45227611476019 0.25000000000000 22.990 > 32 124 Na 0.75000000000000 0.45227611476019 0.25000000000000 22.990 > 32 125 Na 0.00000000000000 0.04772388523981 0.75000000000000 22.990 > 33 126 Na 0.50000000000000 0.04772388523981 0.75000000000000 22.990 > 33 127 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 34 128 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 34 129 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 31 130 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 31 131 Na 0.00000000000000 0.95227611476019 0.25000000000000 22.990 > 32 132 Na 0.50000000000000 0.95227611476019 0.25000000000000 22.990 > 32 133 Na 0.25000000000000 0.54772388523981 0.75000000000000 22.990 > 33 134 Na 0.75000000000000 0.54772388523981 0.75000000000000 22.990 > 33 135 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 34 136 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 34 *137 S 0.25000000000000 0.30997177494449 0.75000000000000 32.065 > 35 138 S 0.75000000000000 0.30997177494449 0.75000000000000 32.065 > 35 139 S 0.00000000000000 0.19002822505551 0.25000000000000 32.065 > 36 140 S 0.50000000000000 0.19002822505551 0.25000000000000 32.065 > 36 141 S 0.00000000000000 0.80997177494449 0.75000000000000 32.065 > 35 142 S 0.50000000000000 0.80997177494449 0.75000000000000 32.065 > 35 143 S 0.25000000000000 0.69002822505551 0.25000000000000 32.065 > 36 144 S 0.75000000000000 0.69002822505551 0.25000000000000 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8364459 0.0000000 0.0000000 0.0000000 2.4625453 0.0000000 0.0000000 0.0000000 2.8934406 -------------------------- Born effective charges -------------------------- 1 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 2 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 3 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 4 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 5 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 6 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 7 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 8 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 9 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 10 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 11 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 12 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 13 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 14 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 15 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 16 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 17 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 18 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 19 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 20 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 21 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 22 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 23 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 24 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 25 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 26 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 27 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 28 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 29 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 30 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 31 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 -0.0437775 -0.0000000 -0.0672842 0.9732711 32 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 33 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 34 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 0.0437775 -0.0000000 0.0672842 0.9732711 35 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 36 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 28116/28116 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3121 Number of blocks in projector: 3121 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: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 165 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 590 Use submatrix version of eigh solver. (1) Block: 590 / 590 (2) Block: 250 / 590 (2) 244 eigenvectors found. (2) Block: 500 / 590 (2) 244 eigenvectors found. (2) Block: 590 / 590 (2) 84 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 584 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 417 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 417 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 417 Use standard eigh solver. Tree of FC basis block matrices: - (3121, 3075), data: False |-- (417, 409), data: True |-- (417, 409), data: True |-- (417, 409), data: True |-- (590, 584), data: False |-- (590, 584), data: False |-- (590, 12), data: (590, 18) @ (18, 12) |-- (90, 84), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (608, 600), data: False |-- (608, 8), data: (608, 16) @ (16, 8) |-- (108, 100), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (672, 664), data: False |-- (672, 7), data: (672, 15) @ (15, 7) |-- (172, 165), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 560 - Time: 1.581 Solver_block: 200 / 560 - Time: 1.532 Solver_block: 300 / 560 - Time: 1.540 Solver_block: 400 / 560 - Time: 1.532 Solver_block: 500 / 560 - Time: 1.537 Solver_block: 560 / 560 - Time: 1.023 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.892 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 28116/28116 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3121 Number of blocks in projector: 3121 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: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 165 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 590 Use submatrix version of eigh solver. (1) Block: 590 / 590 (2) Block: 250 / 590 (2) 244 eigenvectors found. (2) Block: 500 / 590 (2) 244 eigenvectors found. (2) Block: 590 / 590 (2) 84 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 584 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 417 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 417 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 417 Use standard eigh solver. Tree of FC basis block matrices: - (3121, 3075), data: False |-- (417, 409), data: True |-- (417, 409), data: True |-- (417, 409), data: True |-- (590, 584), data: False |-- (590, 584), data: False |-- (590, 12), data: (590, 18) @ (18, 12) |-- (90, 84), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (608, 600), data: False |-- (608, 8), data: (608, 16) @ (16, 8) |-- (108, 100), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (672, 664), data: False |-- (672, 7), data: (672, 15) @ (15, 7) |-- (172, 165), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:44:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:44:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.175519135000001 -6.244156090000001 0.000000000000000 b 3.175519135000001 6.244156090000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): 1 H 0.12992073563447 0.50275518558646 0.87950654167011 1.008 2 H 0.32222609292754 0.01936000146881 0.52549895495123 1.008 3 H 0.01936000146881 0.32222609292754 0.47450104504877 1.008 4 H 0.67777390707246 0.98063999853119 0.02549895495123 1.008 5 H 0.67777390707246 0.98063999853119 0.47450104504877 1.008 6 H 0.98063999853119 0.67777390707246 0.52549895495123 1.008 7 H 0.32222609292754 0.01936000146881 0.97450104504877 1.008 8 H 0.01936000146881 0.32222609292754 0.02549895495123 1.008 9 H 0.50275518558646 0.12992073563447 0.37950654167011 1.008 10 H 0.12992073563447 0.50275518558646 0.62049345832989 1.008 11 H 0.49724481441354 0.87007926436553 0.87950654167011 1.008 12 H 0.87007926436553 0.49724481441354 0.12049345832989 1.008 13 H 0.49724481441354 0.87007926436553 0.62049345832989 1.008 14 H 0.87007926436553 0.49724481441354 0.37950654167011 1.008 15 H 0.23267851683504 0.51473735476119 0.25000000000000 1.008 16 H 0.50275518558646 0.12992073563447 0.12049345832989 1.008 17 H 0.76732148316496 0.48526264523881 0.75000000000000 1.008 18 H 0.48526264523881 0.76732148316496 0.25000000000000 1.008 19 H 0.51473735476119 0.23267851683504 0.75000000000000 1.008 20 H 0.98063999853119 0.67777390707246 0.97450104504877 1.008 21 O 0.36489416888808 0.11594260823210 0.42813961646667 15.999 22 O 0.11594260823210 0.36489416888808 0.57186038353333 15.999 23 O 0.63510583111192 0.88405739176790 0.92813961646667 15.999 24 O 0.88405739176790 0.63510583111192 0.07186038353333 15.999 25 O 0.63510583111192 0.88405739176790 0.57186038353333 15.999 26 O 0.88405739176790 0.63510583111192 0.42813961646667 15.999 27 O 0.36489416888808 0.11594260823210 0.07186038353333 15.999 28 O 0.11594260823210 0.36489416888808 0.92813961646667 15.999 29 O 0.40565406948272 0.59434593051728 0.25000000000000 15.999 30 O 0.59434593051728 0.40565406948272 0.75000000000000 15.999 31 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 32 Na 0.04772388523981 0.95227611476019 0.25000000000000 22.990 33 Na 0.95227611476019 0.04772388523981 0.75000000000000 22.990 34 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 35 S 0.19002822505551 0.80997177494449 0.75000000000000 32.065 36 S 0.80997177494449 0.19002822505551 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.702076540000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488312180000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): 1 H 0.15816898030523 0.18641722497599 0.87950654167011 1.008 > 1 2 H 0.65816898030523 0.18641722497599 0.87950654167011 1.008 > 1 3 H 0.33539652359909 0.34856695427063 0.52549895495123 1.008 > 3 4 H 0.83539652359909 0.34856695427063 0.52549895495123 1.008 > 3 5 H 0.08539652359909 0.15143304572937 0.47450104504877 1.008 > 5 6 H 0.58539652359909 0.15143304572937 0.47450104504877 1.008 > 5 7 H 0.41460347640091 0.15143304572937 0.02549895495123 1.008 > 7 8 H 0.91460347640091 0.15143304572937 0.02549895495123 1.008 > 7 9 H 0.41460347640091 0.15143304572937 0.47450104504877 1.008 > 9 10 H 0.91460347640091 0.15143304572937 0.47450104504877 1.008 > 9 11 H 0.16460347640091 0.34856695427063 0.52549895495123 1.008 > 11 12 H 0.66460347640091 0.34856695427063 0.52549895495123 1.008 > 11 13 H 0.33539652359909 0.34856695427063 0.97450104504877 1.008 > 13 14 H 0.83539652359909 0.34856695427063 0.97450104504877 1.008 > 13 15 H 0.08539652359909 0.15143304572937 0.02549895495123 1.008 > 15 16 H 0.58539652359909 0.15143304572937 0.02549895495123 1.008 > 15 17 H 0.40816898030523 0.31358277502401 0.37950654167011 1.008 > 17 18 H 0.90816898030523 0.31358277502401 0.37950654167011 1.008 > 17 19 H 0.15816898030523 0.18641722497599 0.62049345832989 1.008 > 19 20 H 0.65816898030523 0.18641722497599 0.62049345832989 1.008 > 19 21 H 0.34183101969477 0.18641722497599 0.87950654167011 1.008 > 21 22 H 0.84183101969477 0.18641722497599 0.87950654167011 1.008 > 21 23 H 0.09183101969477 0.31358277502401 0.12049345832989 1.008 > 23 24 H 0.59183101969477 0.31358277502401 0.12049345832989 1.008 > 23 25 H 0.34183101969477 0.18641722497599 0.62049345832989 1.008 > 25 26 H 0.84183101969477 0.18641722497599 0.62049345832989 1.008 > 25 27 H 0.09183101969477 0.31358277502401 0.37950654167011 1.008 > 27 28 H 0.59183101969477 0.31358277502401 0.37950654167011 1.008 > 27 29 H 0.18685396789906 0.14102941896307 0.25000000000000 1.008 > 29 30 H 0.68685396789906 0.14102941896307 0.25000000000000 1.008 > 29 31 H 0.40816898030523 0.31358277502401 0.12049345832989 1.008 > 31 32 H 0.90816898030523 0.31358277502401 0.12049345832989 1.008 > 31 33 H 0.06314603210094 0.35897058103693 0.75000000000000 1.008 > 33 34 H 0.56314603210094 0.35897058103693 0.75000000000000 1.008 > 33 35 H 0.31314603210094 0.14102941896307 0.25000000000000 1.008 > 35 36 H 0.81314603210094 0.14102941896307 0.25000000000000 1.008 > 35 37 H 0.43685396789906 0.35897058103693 0.75000000000000 1.008 > 37 38 H 0.93685396789906 0.35897058103693 0.75000000000000 1.008 > 37 39 H 0.16460347640091 0.34856695427063 0.97450104504877 1.008 > 39 40 H 0.66460347640091 0.34856695427063 0.97450104504877 1.008 > 39 41 H 0.40816898030523 0.68641722497599 0.87950654167011 1.008 > 1 42 H 0.90816898030523 0.68641722497599 0.87950654167011 1.008 > 1 43 H 0.08539652359909 0.84856695427063 0.52549895495123 1.008 > 3 44 H 0.58539652359909 0.84856695427063 0.52549895495123 1.008 > 3 45 H 0.33539652359909 0.65143304572937 0.47450104504877 1.008 > 5 46 H 0.83539652359909 0.65143304572937 0.47450104504877 1.008 > 5 47 H 0.16460347640091 0.65143304572937 0.02549895495123 1.008 > 7 48 H 0.66460347640091 0.65143304572937 0.02549895495123 1.008 > 7 49 H 0.16460347640091 0.65143304572937 0.47450104504877 1.008 > 9 50 H 0.66460347640091 0.65143304572937 0.47450104504877 1.008 > 9 51 H 0.41460347640091 0.84856695427063 0.52549895495123 1.008 > 11 52 H 0.91460347640091 0.84856695427063 0.52549895495123 1.008 > 11 53 H 0.08539652359909 0.84856695427063 0.97450104504877 1.008 > 13 54 H 0.58539652359909 0.84856695427063 0.97450104504877 1.008 > 13 55 H 0.33539652359909 0.65143304572937 0.02549895495123 1.008 > 15 56 H 0.83539652359909 0.65143304572937 0.02549895495123 1.008 > 15 57 H 0.15816898030523 0.81358277502401 0.37950654167011 1.008 > 17 58 H 0.65816898030523 0.81358277502401 0.37950654167011 1.008 > 17 59 H 0.40816898030523 0.68641722497599 0.62049345832989 1.008 > 19 60 H 0.90816898030523 0.68641722497599 0.62049345832989 1.008 > 19 61 H 0.09183101969477 0.68641722497599 0.87950654167011 1.008 > 21 62 H 0.59183101969477 0.68641722497599 0.87950654167011 1.008 > 21 63 H 0.34183101969477 0.81358277502401 0.12049345832989 1.008 > 23 64 H 0.84183101969477 0.81358277502401 0.12049345832989 1.008 > 23 65 H 0.09183101969477 0.68641722497599 0.62049345832989 1.008 > 25 66 H 0.59183101969477 0.68641722497599 0.62049345832989 1.008 > 25 67 H 0.34183101969477 0.81358277502401 0.37950654167011 1.008 > 27 68 H 0.84183101969477 0.81358277502401 0.37950654167011 1.008 > 27 69 H 0.43685396789906 0.64102941896307 0.25000000000000 1.008 > 29 70 H 0.93685396789906 0.64102941896307 0.25000000000000 1.008 > 29 71 H 0.15816898030523 0.81358277502401 0.12049345832989 1.008 > 31 72 H 0.65816898030523 0.81358277502401 0.12049345832989 1.008 > 31 73 H 0.31314603210094 0.85897058103693 0.75000000000000 1.008 > 33 74 H 0.81314603210094 0.85897058103693 0.75000000000000 1.008 > 33 75 H 0.06314603210094 0.64102941896307 0.25000000000000 1.008 > 35 76 H 0.56314603210094 0.64102941896307 0.25000000000000 1.008 > 35 77 H 0.18685396789906 0.85897058103693 0.75000000000000 1.008 > 37 78 H 0.68685396789906 0.85897058103693 0.75000000000000 1.008 > 37 79 H 0.41460347640091 0.84856695427063 0.97450104504877 1.008 > 39 80 H 0.91460347640091 0.84856695427063 0.97450104504877 1.008 > 39 81 O 0.37020919428004 0.37552421967201 0.42813961646667 15.999 > 81 82 O 0.87020919428004 0.37552421967201 0.42813961646667 15.999 > 81 83 O 0.12020919428004 0.12447578032799 0.57186038353333 15.999 > 83 84 O 0.62020919428004 0.12447578032799 0.57186038353333 15.999 > 83 85 O 0.37979080571996 0.12447578032799 0.92813961646667 15.999 > 85 86 O 0.87979080571996 0.12447578032799 0.92813961646667 15.999 > 85 87 O 0.12979080571996 0.37552421967201 0.07186038353333 15.999 > 87 88 O 0.62979080571996 0.37552421967201 0.07186038353333 15.999 > 87 89 O 0.37979080571996 0.12447578032799 0.57186038353333 15.999 > 89 90 O 0.87979080571996 0.12447578032799 0.57186038353333 15.999 > 89 91 O 0.12979080571996 0.37552421967201 0.42813961646667 15.999 > 91 92 O 0.62979080571996 0.37552421967201 0.42813961646667 15.999 > 91 93 O 0.37020919428004 0.37552421967201 0.07186038353333 15.999 > 93 94 O 0.87020919428004 0.37552421967201 0.07186038353333 15.999 > 93 95 O 0.12020919428004 0.12447578032799 0.92813961646667 15.999 > 95 96 O 0.62020919428004 0.12447578032799 0.92813961646667 15.999 > 95 97 O 0.25000000000000 0.09434593051728 0.25000000000000 15.999 > 97 98 O 0.75000000000000 0.09434593051728 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.40565406948272 0.75000000000000 15.999 > 99 100 O 0.50000000000000 0.40565406948272 0.75000000000000 15.999 > 99 101 O 0.12020919428004 0.87552421967201 0.42813961646667 15.999 > 81 102 O 0.62020919428004 0.87552421967201 0.42813961646667 15.999 > 81 103 O 0.37020919428004 0.62447578032799 0.57186038353333 15.999 > 83 104 O 0.87020919428004 0.62447578032799 0.57186038353333 15.999 > 83 105 O 0.12979080571996 0.62447578032799 0.92813961646667 15.999 > 85 106 O 0.62979080571996 0.62447578032799 0.92813961646667 15.999 > 85 107 O 0.37979080571996 0.87552421967201 0.07186038353333 15.999 > 87 108 O 0.87979080571996 0.87552421967201 0.07186038353333 15.999 > 87 109 O 0.12979080571996 0.62447578032799 0.57186038353333 15.999 > 89 110 O 0.62979080571996 0.62447578032799 0.57186038353333 15.999 > 89 111 O 0.37979080571996 0.87552421967201 0.42813961646667 15.999 > 91 112 O 0.87979080571996 0.87552421967201 0.42813961646667 15.999 > 91 113 O 0.12020919428004 0.87552421967201 0.07186038353333 15.999 > 93 114 O 0.62020919428004 0.87552421967201 0.07186038353333 15.999 > 93 115 O 0.37020919428004 0.62447578032799 0.92813961646667 15.999 > 95 116 O 0.87020919428004 0.62447578032799 0.92813961646667 15.999 > 95 117 O 0.00000000000000 0.59434593051728 0.25000000000000 15.999 > 97 118 O 0.50000000000000 0.59434593051728 0.25000000000000 15.999 > 97 119 O 0.25000000000000 0.90565406948272 0.75000000000000 15.999 > 99 120 O 0.75000000000000 0.90565406948272 0.75000000000000 15.999 > 99 121 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 121 122 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 121 123 Na 0.25000000000000 0.45227611476019 0.25000000000000 22.990 > 123 124 Na 0.75000000000000 0.45227611476019 0.25000000000000 22.990 > 123 125 Na 0.00000000000000 0.04772388523981 0.75000000000000 22.990 > 125 126 Na 0.50000000000000 0.04772388523981 0.75000000000000 22.990 > 125 127 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 127 128 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 127 129 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 121 130 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 121 131 Na 0.00000000000000 0.95227611476019 0.25000000000000 22.990 > 123 132 Na 0.50000000000000 0.95227611476019 0.25000000000000 22.990 > 123 133 Na 0.25000000000000 0.54772388523981 0.75000000000000 22.990 > 125 134 Na 0.75000000000000 0.54772388523981 0.75000000000000 22.990 > 125 135 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 127 136 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 127 137 S 0.25000000000000 0.30997177494449 0.75000000000000 32.065 > 137 138 S 0.75000000000000 0.30997177494449 0.75000000000000 32.065 > 137 139 S 0.00000000000000 0.19002822505551 0.25000000000000 32.065 > 139 140 S 0.50000000000000 0.19002822505551 0.25000000000000 32.065 > 139 141 S 0.00000000000000 0.80997177494449 0.75000000000000 32.065 > 137 142 S 0.50000000000000 0.80997177494449 0.75000000000000 32.065 > 137 143 S 0.25000000000000 0.69002822505551 0.25000000000000 32.065 > 139 144 S 0.75000000000000 0.69002822505551 0.25000000000000 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8364459 0.0000000 0.0000000 0.0000000 2.4625453 0.0000000 0.0000000 0.0000000 2.8934406 -------------------------- Born effective charges -------------------------- 1 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 2 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 3 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 4 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 5 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 6 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 7 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 8 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 9 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 10 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 11 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 12 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 13 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 14 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 15 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 16 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 17 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 18 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 19 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 20 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 21 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 22 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 23 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 24 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 25 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 26 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 27 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 28 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 29 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 30 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 31 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 -0.0437775 -0.0000000 -0.0672842 0.9732711 32 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 33 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 34 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 0.0437775 -0.0000000 0.0672842 0.9732711 35 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 36 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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[ 81, 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[ 97, 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[ 121, 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[ 123, 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[ 137, 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: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:45:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:45:07]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.175519135000001 -6.244156090000001 0.000000000000000 b 3.175519135000001 6.244156090000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): 1 H 0.12992073563447 0.50275518558646 0.87950654167011 1.008 2 H 0.32222609292754 0.01936000146881 0.52549895495123 1.008 3 H 0.01936000146881 0.32222609292754 0.47450104504877 1.008 4 H 0.67777390707246 0.98063999853119 0.02549895495123 1.008 5 H 0.67777390707246 0.98063999853119 0.47450104504877 1.008 6 H 0.98063999853119 0.67777390707246 0.52549895495123 1.008 7 H 0.32222609292754 0.01936000146881 0.97450104504877 1.008 8 H 0.01936000146881 0.32222609292754 0.02549895495123 1.008 9 H 0.50275518558646 0.12992073563447 0.37950654167011 1.008 10 H 0.12992073563447 0.50275518558646 0.62049345832989 1.008 11 H 0.49724481441354 0.87007926436553 0.87950654167011 1.008 12 H 0.87007926436553 0.49724481441354 0.12049345832989 1.008 13 H 0.49724481441354 0.87007926436553 0.62049345832989 1.008 14 H 0.87007926436553 0.49724481441354 0.37950654167011 1.008 15 H 0.23267851683504 0.51473735476119 0.25000000000000 1.008 16 H 0.50275518558646 0.12992073563447 0.12049345832989 1.008 17 H 0.76732148316496 0.48526264523881 0.75000000000000 1.008 18 H 0.48526264523881 0.76732148316496 0.25000000000000 1.008 19 H 0.51473735476119 0.23267851683504 0.75000000000000 1.008 20 H 0.98063999853119 0.67777390707246 0.97450104504877 1.008 21 O 0.36489416888808 0.11594260823210 0.42813961646667 15.999 22 O 0.11594260823210 0.36489416888808 0.57186038353333 15.999 23 O 0.63510583111192 0.88405739176790 0.92813961646667 15.999 24 O 0.88405739176790 0.63510583111192 0.07186038353333 15.999 25 O 0.63510583111192 0.88405739176790 0.57186038353333 15.999 26 O 0.88405739176790 0.63510583111192 0.42813961646667 15.999 27 O 0.36489416888808 0.11594260823210 0.07186038353333 15.999 28 O 0.11594260823210 0.36489416888808 0.92813961646667 15.999 29 O 0.40565406948272 0.59434593051728 0.25000000000000 15.999 30 O 0.59434593051728 0.40565406948272 0.75000000000000 15.999 31 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 32 Na 0.04772388523981 0.95227611476019 0.25000000000000 22.990 33 Na 0.95227611476019 0.04772388523981 0.75000000000000 22.990 34 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 35 S 0.19002822505551 0.80997177494449 0.75000000000000 32.065 36 S 0.80997177494449 0.19002822505551 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.702076540000004 0.000000000000000 0.000000000000000 b 0.000000000000000 12.488312180000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.522664530000000 Atomic positions (fractional): 1 H 0.15816898030523 0.18641722497599 0.87950654167011 1.008 > 1 2 H 0.65816898030523 0.18641722497599 0.87950654167011 1.008 > 1 3 H 0.33539652359909 0.34856695427063 0.52549895495123 1.008 > 3 4 H 0.83539652359909 0.34856695427063 0.52549895495123 1.008 > 3 5 H 0.08539652359909 0.15143304572937 0.47450104504877 1.008 > 5 6 H 0.58539652359909 0.15143304572937 0.47450104504877 1.008 > 5 7 H 0.41460347640091 0.15143304572937 0.02549895495123 1.008 > 7 8 H 0.91460347640091 0.15143304572937 0.02549895495123 1.008 > 7 9 H 0.41460347640091 0.15143304572937 0.47450104504877 1.008 > 9 10 H 0.91460347640091 0.15143304572937 0.47450104504877 1.008 > 9 11 H 0.16460347640091 0.34856695427063 0.52549895495123 1.008 > 11 12 H 0.66460347640091 0.34856695427063 0.52549895495123 1.008 > 11 13 H 0.33539652359909 0.34856695427063 0.97450104504877 1.008 > 13 14 H 0.83539652359909 0.34856695427063 0.97450104504877 1.008 > 13 15 H 0.08539652359909 0.15143304572937 0.02549895495123 1.008 > 15 16 H 0.58539652359909 0.15143304572937 0.02549895495123 1.008 > 15 17 H 0.40816898030523 0.31358277502401 0.37950654167011 1.008 > 17 18 H 0.90816898030523 0.31358277502401 0.37950654167011 1.008 > 17 19 H 0.15816898030523 0.18641722497599 0.62049345832989 1.008 > 19 20 H 0.65816898030523 0.18641722497599 0.62049345832989 1.008 > 19 21 H 0.34183101969477 0.18641722497599 0.87950654167011 1.008 > 21 22 H 0.84183101969477 0.18641722497599 0.87950654167011 1.008 > 21 23 H 0.09183101969477 0.31358277502401 0.12049345832989 1.008 > 23 24 H 0.59183101969477 0.31358277502401 0.12049345832989 1.008 > 23 25 H 0.34183101969477 0.18641722497599 0.62049345832989 1.008 > 25 26 H 0.84183101969477 0.18641722497599 0.62049345832989 1.008 > 25 27 H 0.09183101969477 0.31358277502401 0.37950654167011 1.008 > 27 28 H 0.59183101969477 0.31358277502401 0.37950654167011 1.008 > 27 29 H 0.18685396789906 0.14102941896307 0.25000000000000 1.008 > 29 30 H 0.68685396789906 0.14102941896307 0.25000000000000 1.008 > 29 31 H 0.40816898030523 0.31358277502401 0.12049345832989 1.008 > 31 32 H 0.90816898030523 0.31358277502401 0.12049345832989 1.008 > 31 33 H 0.06314603210094 0.35897058103693 0.75000000000000 1.008 > 33 34 H 0.56314603210094 0.35897058103693 0.75000000000000 1.008 > 33 35 H 0.31314603210094 0.14102941896307 0.25000000000000 1.008 > 35 36 H 0.81314603210094 0.14102941896307 0.25000000000000 1.008 > 35 37 H 0.43685396789906 0.35897058103693 0.75000000000000 1.008 > 37 38 H 0.93685396789906 0.35897058103693 0.75000000000000 1.008 > 37 39 H 0.16460347640091 0.34856695427063 0.97450104504877 1.008 > 39 40 H 0.66460347640091 0.34856695427063 0.97450104504877 1.008 > 39 41 H 0.40816898030523 0.68641722497599 0.87950654167011 1.008 > 1 42 H 0.90816898030523 0.68641722497599 0.87950654167011 1.008 > 1 43 H 0.08539652359909 0.84856695427063 0.52549895495123 1.008 > 3 44 H 0.58539652359909 0.84856695427063 0.52549895495123 1.008 > 3 45 H 0.33539652359909 0.65143304572937 0.47450104504877 1.008 > 5 46 H 0.83539652359909 0.65143304572937 0.47450104504877 1.008 > 5 47 H 0.16460347640091 0.65143304572937 0.02549895495123 1.008 > 7 48 H 0.66460347640091 0.65143304572937 0.02549895495123 1.008 > 7 49 H 0.16460347640091 0.65143304572937 0.47450104504877 1.008 > 9 50 H 0.66460347640091 0.65143304572937 0.47450104504877 1.008 > 9 51 H 0.41460347640091 0.84856695427063 0.52549895495123 1.008 > 11 52 H 0.91460347640091 0.84856695427063 0.52549895495123 1.008 > 11 53 H 0.08539652359909 0.84856695427063 0.97450104504877 1.008 > 13 54 H 0.58539652359909 0.84856695427063 0.97450104504877 1.008 > 13 55 H 0.33539652359909 0.65143304572937 0.02549895495123 1.008 > 15 56 H 0.83539652359909 0.65143304572937 0.02549895495123 1.008 > 15 57 H 0.15816898030523 0.81358277502401 0.37950654167011 1.008 > 17 58 H 0.65816898030523 0.81358277502401 0.37950654167011 1.008 > 17 59 H 0.40816898030523 0.68641722497599 0.62049345832989 1.008 > 19 60 H 0.90816898030523 0.68641722497599 0.62049345832989 1.008 > 19 61 H 0.09183101969477 0.68641722497599 0.87950654167011 1.008 > 21 62 H 0.59183101969477 0.68641722497599 0.87950654167011 1.008 > 21 63 H 0.34183101969477 0.81358277502401 0.12049345832989 1.008 > 23 64 H 0.84183101969477 0.81358277502401 0.12049345832989 1.008 > 23 65 H 0.09183101969477 0.68641722497599 0.62049345832989 1.008 > 25 66 H 0.59183101969477 0.68641722497599 0.62049345832989 1.008 > 25 67 H 0.34183101969477 0.81358277502401 0.37950654167011 1.008 > 27 68 H 0.84183101969477 0.81358277502401 0.37950654167011 1.008 > 27 69 H 0.43685396789906 0.64102941896307 0.25000000000000 1.008 > 29 70 H 0.93685396789906 0.64102941896307 0.25000000000000 1.008 > 29 71 H 0.15816898030523 0.81358277502401 0.12049345832989 1.008 > 31 72 H 0.65816898030523 0.81358277502401 0.12049345832989 1.008 > 31 73 H 0.31314603210094 0.85897058103693 0.75000000000000 1.008 > 33 74 H 0.81314603210094 0.85897058103693 0.75000000000000 1.008 > 33 75 H 0.06314603210094 0.64102941896307 0.25000000000000 1.008 > 35 76 H 0.56314603210094 0.64102941896307 0.25000000000000 1.008 > 35 77 H 0.18685396789906 0.85897058103693 0.75000000000000 1.008 > 37 78 H 0.68685396789906 0.85897058103693 0.75000000000000 1.008 > 37 79 H 0.41460347640091 0.84856695427063 0.97450104504877 1.008 > 39 80 H 0.91460347640091 0.84856695427063 0.97450104504877 1.008 > 39 81 O 0.37020919428004 0.37552421967201 0.42813961646667 15.999 > 81 82 O 0.87020919428004 0.37552421967201 0.42813961646667 15.999 > 81 83 O 0.12020919428004 0.12447578032799 0.57186038353333 15.999 > 83 84 O 0.62020919428004 0.12447578032799 0.57186038353333 15.999 > 83 85 O 0.37979080571996 0.12447578032799 0.92813961646667 15.999 > 85 86 O 0.87979080571996 0.12447578032799 0.92813961646667 15.999 > 85 87 O 0.12979080571996 0.37552421967201 0.07186038353333 15.999 > 87 88 O 0.62979080571996 0.37552421967201 0.07186038353333 15.999 > 87 89 O 0.37979080571996 0.12447578032799 0.57186038353333 15.999 > 89 90 O 0.87979080571996 0.12447578032799 0.57186038353333 15.999 > 89 91 O 0.12979080571996 0.37552421967201 0.42813961646667 15.999 > 91 92 O 0.62979080571996 0.37552421967201 0.42813961646667 15.999 > 91 93 O 0.37020919428004 0.37552421967201 0.07186038353333 15.999 > 93 94 O 0.87020919428004 0.37552421967201 0.07186038353333 15.999 > 93 95 O 0.12020919428004 0.12447578032799 0.92813961646667 15.999 > 95 96 O 0.62020919428004 0.12447578032799 0.92813961646667 15.999 > 95 97 O 0.25000000000000 0.09434593051728 0.25000000000000 15.999 > 97 98 O 0.75000000000000 0.09434593051728 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.40565406948272 0.75000000000000 15.999 > 99 100 O 0.50000000000000 0.40565406948272 0.75000000000000 15.999 > 99 101 O 0.12020919428004 0.87552421967201 0.42813961646667 15.999 > 81 102 O 0.62020919428004 0.87552421967201 0.42813961646667 15.999 > 81 103 O 0.37020919428004 0.62447578032799 0.57186038353333 15.999 > 83 104 O 0.87020919428004 0.62447578032799 0.57186038353333 15.999 > 83 105 O 0.12979080571996 0.62447578032799 0.92813961646667 15.999 > 85 106 O 0.62979080571996 0.62447578032799 0.92813961646667 15.999 > 85 107 O 0.37979080571996 0.87552421967201 0.07186038353333 15.999 > 87 108 O 0.87979080571996 0.87552421967201 0.07186038353333 15.999 > 87 109 O 0.12979080571996 0.62447578032799 0.57186038353333 15.999 > 89 110 O 0.62979080571996 0.62447578032799 0.57186038353333 15.999 > 89 111 O 0.37979080571996 0.87552421967201 0.42813961646667 15.999 > 91 112 O 0.87979080571996 0.87552421967201 0.42813961646667 15.999 > 91 113 O 0.12020919428004 0.87552421967201 0.07186038353333 15.999 > 93 114 O 0.62020919428004 0.87552421967201 0.07186038353333 15.999 > 93 115 O 0.37020919428004 0.62447578032799 0.92813961646667 15.999 > 95 116 O 0.87020919428004 0.62447578032799 0.92813961646667 15.999 > 95 117 O 0.00000000000000 0.59434593051728 0.25000000000000 15.999 > 97 118 O 0.50000000000000 0.59434593051728 0.25000000000000 15.999 > 97 119 O 0.25000000000000 0.90565406948272 0.75000000000000 15.999 > 99 120 O 0.75000000000000 0.90565406948272 0.75000000000000 15.999 > 99 121 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 121 122 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 121 123 Na 0.25000000000000 0.45227611476019 0.25000000000000 22.990 > 123 124 Na 0.75000000000000 0.45227611476019 0.25000000000000 22.990 > 123 125 Na 0.00000000000000 0.04772388523981 0.75000000000000 22.990 > 125 126 Na 0.50000000000000 0.04772388523981 0.75000000000000 22.990 > 125 127 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 127 128 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 127 129 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 121 130 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 121 131 Na 0.00000000000000 0.95227611476019 0.25000000000000 22.990 > 123 132 Na 0.50000000000000 0.95227611476019 0.25000000000000 22.990 > 123 133 Na 0.25000000000000 0.54772388523981 0.75000000000000 22.990 > 125 134 Na 0.75000000000000 0.54772388523981 0.75000000000000 22.990 > 125 135 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 127 136 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 127 137 S 0.25000000000000 0.30997177494449 0.75000000000000 32.065 > 137 138 S 0.75000000000000 0.30997177494449 0.75000000000000 32.065 > 137 139 S 0.00000000000000 0.19002822505551 0.25000000000000 32.065 > 139 140 S 0.50000000000000 0.19002822505551 0.25000000000000 32.065 > 139 141 S 0.00000000000000 0.80997177494449 0.75000000000000 32.065 > 137 142 S 0.50000000000000 0.80997177494449 0.75000000000000 32.065 > 137 143 S 0.25000000000000 0.69002822505551 0.25000000000000 32.065 > 139 144 S 0.75000000000000 0.69002822505551 0.25000000000000 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8364459 0.0000000 0.0000000 0.0000000 2.4625453 0.0000000 0.0000000 0.0000000 2.8934406 -------------------------- Born effective charges -------------------------- 1 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 2 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 3 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 4 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 5 H 0.5505004 0.1563603 -0.4941126 0.1161919 0.1526309 -0.1438198 -0.4668578 -0.2021734 1.0756063 6 H 0.5505004 -0.1563603 0.4941126 -0.1161919 0.1526309 -0.1438198 0.4668578 -0.2021734 1.0756063 7 H 0.5505004 0.1563603 0.4941126 0.1161919 0.1526309 0.1438198 0.4668578 0.2021734 1.0756063 8 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 9 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 10 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 11 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 12 H 0.5759087 0.4838662 -0.3192068 0.3479307 0.5653839 -0.3768822 -0.3390525 -0.5375418 0.5662651 13 H 0.5759087 -0.4838662 -0.3192068 -0.3479307 0.5653839 0.3768822 -0.3390525 0.5375418 0.5662651 14 H 0.5759087 0.4838662 0.3192068 0.3479307 0.5653839 0.3768822 0.3390525 0.5375418 0.5662651 15 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 16 H 0.5759087 -0.4838662 0.3192068 -0.3479307 0.5653839 -0.3768822 0.3390525 -0.5375418 0.5662651 17 H 1.0841015 -0.3256225 0.0000000 -0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 18 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 19 H 1.0841015 0.3256225 0.0000000 0.2388772 0.1838190 0.0000000 -0.0000000 0.0000000 0.3413924 20 H 0.5505004 -0.1563603 -0.4941126 -0.1161919 0.1526309 0.1438198 -0.4668578 0.2021734 1.0756063 21 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 22 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 23 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 24 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 25 O -1.2028963 0.2370768 0.5462253 0.1649071 -0.9487892 -0.1473150 0.5407532 -0.2187558 -1.5441510 26 O -1.2028963 -0.2370768 -0.5462253 -0.1649071 -0.9487892 -0.1473150 -0.5407532 -0.2187558 -1.5441510 27 O -1.2028963 0.2370768 -0.5462253 0.1649071 -0.9487892 0.1473150 -0.5407532 0.2187558 -1.5441510 28 O -1.2028963 -0.2370768 0.5462253 -0.1649071 -0.9487892 0.1473150 0.5407532 0.2187558 -1.5441510 29 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 30 O -1.7823417 -0.0000000 0.0000000 -0.0000000 -0.6352153 0.0000000 -0.0000000 0.0000000 -0.8599020 31 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 -0.0437775 -0.0000000 -0.0672842 0.9732711 32 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 33 Na 0.9897044 -0.0000000 0.0000000 -0.0000000 1.3128438 0.0000000 -0.0000000 0.0000000 1.0224390 34 Na 1.0063926 -0.0000000 0.0000000 -0.0000000 1.2862477 0.0437775 -0.0000000 0.0672842 0.9732711 35 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 36 S -2.0760100 -0.0000000 0.0000000 -0.0000000 -1.4084165 0.0000000 -0.0000000 0.0000000 -2.2094743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 9 6 ] 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: 0.60, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 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 2.711 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.544 ( 0.000 0.000 0.000) 0.000 14.825 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 16.124 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 18.248 ( 0.000 0.000 0.000) 0.000 18.721 ( 0.000 0.000 0.000) 0.000 18.792 ( 0.000 0.000 0.000) 0.000 19.010 ( 0.000 0.000 0.000) 0.000 19.892 ( 0.000 0.000 0.000) 0.000 19.907 ( 0.000 0.000 0.000) 0.000 19.965 ( 0.000 0.000 0.000) 0.000 20.869 ( 0.000 0.000 0.000) 0.000 21.164 ( 0.000 0.000 0.000) 0.000 21.332 ( 0.000 0.000 0.000) 0.000 21.506 ( 0.000 0.000 0.000) 0.000 21.788 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.343 ( 0.000 0.000 0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 23.400 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 24.062 ( 0.000 0.000 0.000) 0.000 25.104 ( 0.000 0.000 0.000) 0.000 25.569 ( 0.000 0.000 0.000) 0.000 44.471 ( 0.000 0.000 0.000) 0.000 45.260 ( 0.000 0.000 0.000) 0.000 45.271 ( 0.000 0.000 0.000) 0.000 45.292 ( 0.000 0.000 0.000) 0.000 45.379 ( 0.000 0.000 0.000) 0.000 45.825 ( 0.000 0.000 0.000) 0.000 46.976 ( 0.000 0.000 0.000) 0.000 47.338 ( 0.000 0.000 0.000) 0.000 47.522 ( 0.000 0.000 0.000) 0.000 48.264 ( 0.000 0.000 0.000) 0.000 94.558 ( 0.000 0.000 0.000) 0.000 94.815 ( 0.000 0.000 0.000) 0.000 95.061 ( 0.000 0.000 0.000) 0.000 95.113 ( 0.000 0.000 0.000) 0.000 95.265 ( 0.000 0.000 0.000) 0.000 95.864 ( 0.000 0.000 0.000) 0.000 96.042 ( 0.000 0.000 0.000) 0.000 96.083 ( 0.000 0.000 0.000) 0.000 96.341 ( 0.000 0.000 0.000) 0.000 96.496 ( 0.000 0.000 0.000) 0.000 96.630 ( 0.000 0.000 0.000) 0.000 96.741 ( 0.000 0.000 0.000) 0.000 97.221 ( 0.000 0.000 0.000) 0.000 97.314 ( 0.000 0.000 0.000) 0.000 98.387 ( 0.000 0.000 0.000) 0.000 100.070 ( 0.000 0.000 0.000) 0.000 101.512 ( 0.000 0.000 0.000) 0.000 102.614 ( 0.000 0.000 0.000) 0.000 102.644 ( 0.000 0.000 0.000) 0.000 102.647 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 11.616 -33.539 0.000) 35.494 0.611 ( 29.138 -10.516 0.000) 30.978 1.000 ( 50.865 -10.278 0.000) 51.893 2.759 ( 3.791 8.435 0.000) 9.248 2.832 ( 10.295 -1.852 0.000) 10.461 2.938 ( -3.956 4.840 0.000) 6.251 2.972 ( -5.641 5.562 0.000) 7.922 3.122 ( -0.496 -2.703 0.000) 2.748 3.176 ( 1.286 -0.755 0.000) 1.491 3.288 ( -3.064 -0.541 0.000) 3.111 3.302 ( 5.006 2.072 0.000) 5.417 3.699 ( -2.711 -3.058 0.000) 4.087 3.846 ( 0.382 2.145 0.000) 2.178 3.995 ( 4.289 -0.342 0.000) 4.303 4.029 ( 10.031 10.070 0.000) 14.213 4.182 ( -12.495 0.086 0.000) 12.496 4.389 ( -3.438 0.581 0.000) 3.487 4.452 ( 0.761 -0.175 0.000) 0.781 4.527 ( 4.109 -1.689 0.000) 4.443 4.528 ( 0.714 0.357 0.000) 0.798 4.676 ( 0.742 -2.984 0.000) 3.074 5.280 ( -9.649 -0.064 0.000) 9.649 5.328 ( 5.001 -0.507 0.000) 5.027 5.477 ( -9.458 -6.157 0.000) 11.286 5.569 ( 5.731 -0.153 0.000) 5.733 5.714 ( 1.233 -11.153 0.000) 11.221 5.754 ( 9.939 0.517 0.000) 9.953 6.225 ( -7.366 6.714 0.000) 9.967 6.237 ( 3.075 0.754 0.000) 3.166 6.338 ( -0.995 -5.079 0.000) 5.176 6.379 ( 8.936 3.061 0.000) 9.446 6.567 ( 2.040 -3.159 0.000) 3.761 6.784 ( 10.896 0.285 0.000) 10.899 7.022 ( -2.213 -0.734 0.000) 2.331 7.026 ( 1.921 1.315 0.000) 2.328 7.123 ( -2.301 -2.721 0.000) 3.563 7.407 ( -10.046 -0.218 0.000) 10.049 7.457 ( -13.379 4.473 0.000) 14.107 7.787 ( -2.076 3.147 0.000) 3.770 7.847 ( -2.993 -4.570 0.000) 5.463 7.997 ( -2.376 -1.453 0.000) 2.785 8.169 ( 11.885 -1.123 0.000) 11.938 8.220 ( 4.728 -1.003 0.000) 4.833 8.417 ( -5.629 0.697 0.000) 5.672 8.472 ( -4.509 0.569 0.000) 4.545 8.621 ( 10.402 17.688 0.000) 20.520 8.756 ( -4.712 -0.195 0.000) 4.716 9.189 ( -15.645 -16.480 0.000) 22.723 14.281 ( 5.592 -0.381 0.000) 5.605 14.639 ( -16.840 -0.034 0.000) 16.840 14.991 ( -26.410 0.181 0.000) 26.411 15.042 ( 6.840 14.516 0.000) 16.046 15.822 ( 18.225 0.019 0.000) 18.225 16.398 ( 22.489 0.282 0.000) 22.491 16.499 ( 6.185 -1.994 0.000) 6.498 17.015 ( 7.700 -1.437 0.000) 7.832 17.293 ( 8.360 -0.387 0.000) 8.369 17.537 ( 0.546 0.439 0.000) 0.701 18.619 ( -9.441 5.088 0.000) 10.725 18.740 ( 1.838 -0.454 0.000) 1.894 19.051 ( 11.984 20.289 0.000) 23.564 19.201 ( 16.740 5.169 0.000) 17.520 19.836 ( -6.444 2.933 0.000) 7.080 19.909 ( -1.985 -7.980 0.000) 8.223 20.575 ( 21.118 37.503 0.000) 43.040 20.887 ( 2.152 0.177 0.000) 2.159 21.127 ( -9.375 1.382 0.000) 9.477 21.155 ( -5.044 -1.460 0.000) 5.251 21.734 ( -6.221 -0.298 0.000) 6.228 21.761 ( 18.507 2.212 0.000) 18.638 22.128 ( -4.583 -4.031 0.000) 6.104 22.261 ( -11.155 2.251 0.000) 11.380 22.312 ( -11.660 -3.226 0.000) 12.098 23.489 ( 8.546 -0.317 0.000) 8.551 23.707 ( -5.908 -0.547 0.000) 5.934 24.071 ( 0.962 0.168 0.000) 0.976 25.038 ( -8.694 -0.931 0.000) 8.743 25.506 ( -7.238 -0.353 0.000) 7.246 44.489 ( 1.836 -0.437 0.000) 1.888 45.202 ( -2.523 -0.159 0.000) 2.528 45.243 ( -2.991 0.260 0.000) 3.003 45.392 ( 1.545 -0.281 0.000) 1.571 45.400 ( 7.312 -0.325 0.000) 7.319 45.815 ( -1.106 0.107 0.000) 1.111 46.999 ( 2.825 0.460 0.000) 2.863 47.373 ( 4.222 0.533 0.000) 4.256 47.513 ( -1.406 -0.576 0.000) 1.519 48.242 ( -3.094 -1.162 0.000) 3.305 94.574 ( 2.261 1.009 0.000) 2.476 94.828 ( 1.157 -0.641 0.000) 1.322 95.103 ( -1.481 -0.634 0.000) 1.611 95.274 ( 5.075 6.611 0.000) 8.334 95.346 ( 6.137 1.448 0.000) 6.306 95.823 ( -3.669 1.849 0.000) 4.108 96.025 ( -1.672 0.580 0.000) 1.770 96.124 ( -5.586 -11.532 0.000) 12.814 96.504 ( 0.325 -1.063 0.000) 1.112 96.634 ( 0.359 -0.137 0.000) 0.384 96.766 ( 2.685 -0.210 0.000) 2.693 97.150 ( -6.029 0.979 0.000) 6.108 97.335 ( 1.151 0.505 0.000) 1.257 97.688 ( -3.791 19.087 0.000) 19.460 98.529 ( 14.623 1.700 0.000) 14.721 100.121 ( -5.283 -9.485 0.000) 10.857 101.423 ( -8.671 1.986 0.000) 8.895 101.970 ( -36.795 -0.360 0.000) 36.797 103.266 ( 34.758 1.747 0.000) 34.802 103.924 ( 32.057 46.186 0.000) 56.221 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 15.613 -28.170 0.000) 32.207 1.200 ( 27.861 -9.308 0.000) 29.375 1.933 ( 44.355 -9.261 0.000) 45.311 2.726 ( 0.941 10.307 0.000) 10.350 2.795 ( -7.361 6.749 0.000) 9.986 2.844 ( -1.293 2.167 0.000) 2.524 3.088 ( 14.695 -2.892 0.000) 14.976 3.133 ( -3.183 -6.092 0.000) 6.874 3.214 ( 1.935 -1.418 0.000) 2.399 3.218 ( -5.391 -1.034 0.000) 5.489 3.383 ( 5.847 1.506 0.000) 6.038 3.643 ( -6.030 -1.380 0.000) 6.186 3.812 ( -2.603 2.771 0.000) 3.801 4.010 ( -5.302 -1.744 0.000) 5.582 4.099 ( 6.612 -0.898 0.000) 6.673 4.134 ( 8.359 4.023 0.000) 9.277 4.308 ( -4.482 1.386 0.000) 4.692 4.421 ( -2.719 2.266 0.000) 3.540 4.561 ( 3.093 -0.720 0.000) 3.176 4.608 ( 0.654 -5.156 0.000) 5.197 4.724 ( 3.535 -0.096 0.000) 3.536 5.110 ( -8.835 -1.025 0.000) 8.894 5.381 ( -4.474 0.290 0.000) 4.484 5.465 ( 8.253 -0.085 0.000) 8.253 5.682 ( 5.872 1.378 0.000) 6.031 5.842 ( 6.469 -2.251 0.000) 6.850 5.862 ( 2.171 1.670 0.000) 2.739 6.036 ( -4.628 6.002 0.000) 7.579 6.274 ( 3.736 5.605 0.000) 6.736 6.405 ( 1.626 -6.626 0.000) 6.823 6.532 ( 11.880 5.812 0.000) 13.226 6.658 ( 3.354 -5.497 0.000) 6.439 6.965 ( 9.578 1.374 0.000) 9.676 6.980 ( -3.651 -1.777 0.000) 4.061 7.065 ( 5.264 3.737 0.000) 6.455 7.100 ( -2.160 -1.232 0.000) 2.487 7.185 ( -14.382 -0.657 0.000) 14.397 7.206 ( -9.235 3.088 0.000) 9.737 7.718 ( -3.320 1.642 0.000) 3.704 7.827 ( -4.160 -5.373 0.000) 6.795 7.930 ( -5.801 0.421 0.000) 5.816 8.275 ( -4.743 0.327 0.000) 4.754 8.332 ( 1.367 -2.002 0.000) 2.424 8.349 ( -6.847 0.490 0.000) 6.865 8.376 ( 8.374 -0.274 0.000) 8.378 8.643 ( -8.235 -0.526 0.000) 8.252 8.658 ( 5.810 6.547 0.000) 8.753 9.022 ( -15.092 -8.318 0.000) 17.233 14.340 ( -16.006 0.111 0.000) 16.007 14.405 ( 7.257 -0.704 0.000) 7.291 14.532 ( -24.253 -0.366 0.000) 24.256 15.030 ( 3.364 8.022 0.000) 8.699 16.143 ( 16.707 -0.642 0.000) 16.720 16.669 ( 11.941 -2.041 0.000) 12.114 16.754 ( 15.136 0.073 0.000) 15.136 17.235 ( 15.232 -2.663 0.000) 15.463 17.502 ( 11.649 0.719 0.000) 11.671 17.547 ( 4.069 -0.120 0.000) 4.071 18.452 ( -3.464 5.937 0.000) 6.873 18.790 ( 3.336 -0.204 0.000) 3.342 19.066 ( 3.332 8.853 0.000) 9.459 19.421 ( 15.710 10.632 0.000) 18.970 19.640 ( -10.961 5.225 0.000) 12.142 19.972 ( -1.237 -12.692 0.000) 12.753 20.616 ( 11.607 17.777 0.000) 21.231 20.943 ( 4.542 0.274 0.000) 4.550 20.996 ( -1.461 1.114 0.000) 1.837 21.102 ( -4.608 -2.192 0.000) 5.103 21.583 ( -11.335 -0.866 0.000) 11.368 21.940 ( -20.047 1.419 0.000) 20.097 22.032 ( 0.195 1.228 0.000) 1.244 22.090 ( 11.480 -0.543 0.000) 11.493 22.140 ( -12.769 -3.057 0.000) 13.130 23.563 ( -11.028 -0.734 0.000) 11.052 23.658 ( 9.590 -0.543 0.000) 9.605 24.085 ( 0.676 0.376 0.000) 0.774 24.858 ( -11.163 -0.130 0.000) 11.164 25.330 ( -12.752 -0.154 0.000) 12.753 44.544 ( 3.724 -0.966 0.000) 3.847 45.164 ( -5.430 0.723 0.000) 5.478 45.188 ( 0.688 -0.056 0.000) 0.690 45.418 ( 0.590 -1.060 0.000) 1.213 45.540 ( 7.639 -0.413 0.000) 7.650 45.792 ( -0.816 0.737 0.000) 1.100 47.063 ( 4.990 0.759 0.000) 5.047 47.471 ( 7.629 1.138 0.000) 7.713 47.482 ( -2.868 -0.975 0.000) 3.029 48.177 ( -5.966 -2.069 0.000) 6.315 94.618 ( 4.206 1.921 0.000) 4.624 94.863 ( 1.484 -1.409 0.000) 2.047 95.080 ( -1.728 -1.352 0.000) 2.194 95.328 ( 7.035 5.428 0.000) 8.886 95.473 ( 7.828 -2.130 0.000) 8.113 95.709 ( -6.596 3.095 0.000) 7.286 95.976 ( -4.105 -1.252 0.000) 4.292 96.127 ( -4.593 -8.682 0.000) 9.822 96.528 ( 1.102 -1.547 0.000) 1.899 96.645 ( 0.628 -0.490 0.000) 0.797 96.835 ( 4.672 -0.401 0.000) 4.689 97.020 ( -7.257 1.422 0.000) 7.395 97.325 ( -1.510 1.062 0.000) 1.847 97.418 ( -10.910 11.051 0.000) 15.529 98.813 ( 18.577 0.860 0.000) 18.597 100.107 ( -3.175 -3.602 0.000) 4.802 101.194 ( -14.456 4.317 0.000) 15.087 101.389 ( -29.400 -2.645 0.000) 29.518 103.793 ( 27.607 3.332 0.000) 27.808 104.107 ( 21.469 20.057 0.000) 29.381 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 19.131 -20.869 0.000) 28.311 1.741 ( 24.979 -7.610 0.000) 26.113 2.536 ( 8.657 1.572 0.000) 8.799 2.625 ( -5.364 4.991 0.000) 7.327 2.692 ( 2.199 3.347 0.000) 4.004 2.854 ( 10.627 -0.472 0.000) 10.637 3.066 ( -10.957 0.474 0.000) 10.968 3.115 ( -2.571 -2.736 0.000) 3.755 3.283 ( 2.735 -4.330 0.000) 5.122 3.369 ( 9.796 -1.858 0.000) 9.971 3.461 ( 4.346 1.174 0.000) 4.502 3.555 ( -2.198 -0.944 0.000) 2.392 3.771 ( 2.991 0.191 0.000) 2.997 4.033 ( 3.645 -2.578 0.000) 4.464 4.194 ( -1.778 0.930 0.000) 2.006 4.230 ( 5.586 2.483 0.000) 6.113 4.261 ( 5.547 -1.104 0.000) 5.656 4.343 ( -2.725 2.314 0.000) 3.575 4.628 ( -2.008 -3.911 0.000) 4.396 4.642 ( 5.004 -0.432 0.000) 5.023 4.790 ( 2.578 0.792 0.000) 2.697 4.997 ( -5.902 -2.742 0.000) 6.508 5.310 ( -2.766 1.546 0.000) 3.169 5.547 ( -3.177 3.402 0.000) 4.654 5.668 ( 2.477 6.456 0.000) 6.915 5.868 ( 2.620 0.371 0.000) 2.646 5.964 ( 6.407 1.423 0.000) 6.564 6.008 ( 0.849 -0.785 0.000) 1.156 6.253 ( 0.275 7.504 0.000) 7.509 6.464 ( -1.927 -5.345 0.000) 5.681 6.628 ( 2.755 5.180 0.000) 5.867 6.746 ( 1.226 -2.514 0.000) 2.797 6.946 ( -1.871 -4.031 0.000) 4.444 6.991 ( -5.898 -0.756 0.000) 5.946 7.064 ( 4.061 2.588 0.000) 4.815 7.084 ( -0.549 -0.854 0.000) 1.015 7.098 ( 4.033 1.888 0.000) 4.453 7.193 ( 7.451 2.812 0.000) 7.964 7.646 ( -3.592 0.755 0.000) 3.670 7.805 ( -6.818 0.764 0.000) 6.861 7.808 ( -2.970 -5.228 0.000) 6.013 8.171 ( -5.047 0.357 0.000) 5.060 8.178 ( -10.078 1.272 0.000) 10.158 8.390 ( 1.901 -1.506 0.000) 2.425 8.461 ( -5.681 0.257 0.000) 5.686 8.548 ( 2.600 -1.177 0.000) 2.854 8.675 ( -2.027 0.413 0.000) 2.069 8.861 ( -6.943 -3.308 0.000) 7.691 14.099 ( -10.904 0.578 0.000) 10.919 14.186 ( -15.495 -1.086 0.000) 15.533 14.523 ( 5.049 -0.680 0.000) 5.095 15.019 ( 1.936 4.718 0.000) 5.100 16.409 ( 12.654 -2.041 0.000) 12.817 16.869 ( 5.132 2.450 0.000) 5.687 16.948 ( 10.534 -3.402 0.000) 11.070 17.495 ( -2.466 2.269 0.000) 3.351 17.588 ( 21.346 -3.869 0.000) 21.693 17.837 ( 18.914 -0.891 0.000) 18.935 18.388 ( 0.677 4.828 0.000) 4.875 18.819 ( -3.021 3.348 0.000) 4.509 18.980 ( -4.452 2.570 0.000) 5.140 19.420 ( -7.497 4.417 0.000) 8.702 19.556 ( 9.692 8.506 0.000) 12.895 20.081 ( 1.921 -9.044 0.000) 9.246 20.683 ( 11.039 10.623 0.000) 15.320 21.026 ( -6.159 -3.672 0.000) 7.171 21.033 ( 5.392 0.252 0.000) 5.398 21.064 ( 8.821 1.246 0.000) 8.909 21.372 ( -13.193 -1.594 0.000) 13.289 21.610 ( -14.053 1.187 0.000) 14.103 21.874 ( -12.708 0.472 0.000) 12.717 21.920 ( -14.904 -2.654 0.000) 15.139 22.398 ( 19.471 1.737 0.000) 19.549 23.339 ( -15.343 -1.115 0.000) 15.384 23.819 ( 7.915 -0.744 0.000) 7.950 24.080 ( -0.862 0.613 0.000) 1.057 24.698 ( -6.287 -0.797 0.000) 6.337 25.082 ( -14.690 0.493 0.000) 14.699 44.636 ( 5.520 -1.511 0.000) 5.724 45.045 ( -6.962 1.322 0.000) 7.086 45.222 ( 3.133 0.390 0.000) 3.158 45.419 ( -2.031 -1.722 0.000) 2.663 45.662 ( 5.555 -0.456 0.000) 5.574 45.780 ( 0.445 1.124 0.000) 1.209 47.154 ( 6.137 0.904 0.000) 6.203 47.429 ( -4.319 -1.127 0.000) 4.463 47.612 ( 9.777 1.776 0.000) 9.937 48.071 ( -8.365 -2.565 0.000) 8.749 94.683 ( 5.467 2.560 0.000) 6.037 94.884 ( -1.647 -2.145 0.000) 2.704 95.092 ( 2.062 -2.172 0.000) 2.995 95.416 ( 7.630 4.425 0.000) 8.821 95.547 ( -8.211 3.612 0.000) 8.971 95.647 ( 9.049 -2.628 0.000) 9.423 95.912 ( -4.794 -2.613 0.000) 5.460 96.109 ( -5.293 -6.224 0.000) 8.171 96.571 ( 2.300 -1.534 0.000) 2.764 96.666 ( 1.033 -1.261 0.000) 1.630 96.881 ( -6.804 1.495 0.000) 6.966 96.933 ( 5.832 -0.613 0.000) 5.864 97.133 ( -10.882 8.744 0.000) 13.960 97.265 ( -4.055 1.292 0.000) 4.256 99.153 ( 20.474 -0.115 0.000) 20.474 100.055 ( -6.156 -1.006 0.000) 6.238 100.842 ( -18.944 1.380 0.000) 18.994 101.047 ( -13.453 -0.683 0.000) 13.471 104.161 ( 17.682 3.455 0.000) 18.016 104.286 ( 13.562 9.774 0.000) 16.716 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 20.067 -13.487 0.000) 24.178 2.163 ( 14.163 -3.912 0.000) 14.694 2.447 ( -14.043 8.273 0.000) 16.298 2.555 ( 2.104 0.989 0.000) 2.325 2.566 ( -2.599 0.487 0.000) 2.644 2.819 ( -13.858 2.309 0.000) 14.049 3.074 ( 3.939 -1.677 0.000) 4.282 3.117 ( 2.960 2.891 0.000) 4.137 3.339 ( -0.274 -2.904 0.000) 2.917 3.412 ( -0.693 0.453 0.000) 0.828 3.533 ( 2.773 -0.707 0.000) 2.861 3.631 ( 3.924 -1.636 0.000) 4.251 3.912 ( 6.142 -5.026 0.000) 7.936 4.116 ( 4.992 3.929 0.000) 6.353 4.135 ( -1.683 1.062 0.000) 1.990 4.215 ( -4.083 0.628 0.000) 4.131 4.395 ( 4.780 -1.938 0.000) 5.158 4.428 ( 12.653 -2.718 0.000) 12.942 4.619 ( -3.586 -2.510 0.000) 4.377 4.720 ( 3.308 0.785 0.000) 3.400 4.737 ( -6.212 3.628 0.000) 7.194 4.951 ( -2.246 -2.566 0.000) 3.410 5.267 ( -0.591 0.839 0.000) 1.026 5.368 ( -6.436 4.237 0.000) 7.706 5.710 ( 2.769 1.891 0.000) 3.354 5.917 ( 2.827 0.585 0.000) 2.887 6.013 ( -1.662 -1.526 0.000) 2.256 6.018 ( 1.673 2.273 0.000) 2.823 6.174 ( -1.900 2.929 0.000) 3.491 6.454 ( -1.762 -1.938 0.000) 2.619 6.594 ( -1.134 0.262 0.000) 1.164 6.739 ( -1.459 0.218 0.000) 1.475 6.954 ( -0.346 -0.929 0.000) 0.992 6.993 ( 1.675 -0.705 0.000) 1.817 7.101 ( 1.222 -0.453 0.000) 1.303 7.135 ( 6.147 4.179 0.000) 7.433 7.157 ( 0.278 -3.677 0.000) 3.688 7.271 ( 3.258 2.326 0.000) 4.003 7.588 ( -1.968 0.224 0.000) 1.981 7.717 ( -2.276 0.229 0.000) 2.288 7.835 ( 1.889 -3.133 0.000) 3.659 7.999 ( -7.779 1.500 0.000) 7.923 8.099 ( -2.491 0.243 0.000) 2.503 8.345 ( -4.447 -0.168 0.000) 4.451 8.422 ( 0.783 -0.429 0.000) 0.893 8.598 ( -4.397 -1.362 0.000) 4.603 8.611 ( 1.978 -0.241 0.000) 1.992 8.840 ( 0.410 -0.172 0.000) 0.444 13.958 ( -4.207 0.389 0.000) 4.225 14.017 ( -4.874 -0.648 0.000) 4.917 14.586 ( 1.647 -0.264 0.000) 1.668 15.014 ( 0.678 1.574 0.000) 1.714 16.629 ( 9.598 -3.151 0.000) 10.102 16.816 ( -5.404 3.664 0.000) 6.529 17.171 ( 8.931 -3.418 0.000) 9.563 17.401 ( -5.089 2.717 0.000) 5.769 18.028 ( 23.334 -4.981 0.000) 23.860 18.149 ( 13.954 -1.756 0.000) 14.064 18.336 ( -4.078 3.275 0.000) 5.230 18.517 ( -20.869 5.973 0.000) 21.707 18.986 ( 2.147 -0.128 0.000) 2.151 19.309 ( -2.699 1.256 0.000) 2.977 19.618 ( 3.180 2.660 0.000) 4.146 20.170 ( 1.578 -2.521 0.000) 2.975 20.804 ( 11.504 7.966 0.000) 13.993 20.927 ( -9.505 -6.025 0.000) 11.253 21.095 ( 2.645 0.706 0.000) 2.738 21.182 ( -9.215 -1.695 0.000) 9.369 21.288 ( 16.441 0.381 0.000) 16.446 21.511 ( 4.721 1.469 0.000) 4.945 21.599 ( -17.457 0.674 0.000) 17.470 21.683 ( -13.792 -1.965 0.000) 13.931 22.726 ( 19.441 1.631 0.000) 19.509 23.054 ( -18.176 -1.404 0.000) 18.231 23.943 ( 5.096 -0.760 0.000) 5.152 24.042 ( -2.630 0.709 0.000) 2.723 24.681 ( 3.284 -1.346 0.000) 3.549 24.837 ( -11.419 1.144 0.000) 11.476 44.761 ( 6.880 -1.846 0.000) 7.124 44.904 ( -7.435 1.777 0.000) 7.644 45.278 ( 3.278 0.711 0.000) 3.355 45.383 ( -3.025 -1.307 0.000) 3.296 45.734 ( 2.117 -0.349 0.000) 2.145 45.782 ( 0.425 0.686 0.000) 0.807 47.255 ( 6.155 0.983 0.000) 6.233 47.352 ( -5.448 -1.078 0.000) 5.554 47.774 ( 10.539 2.321 0.000) 10.791 47.933 ( -9.991 -2.625 0.000) 10.330 94.757 ( 5.133 2.456 0.000) 5.690 94.845 ( -4.244 -2.285 0.000) 4.820 95.189 ( 5.724 -2.701 0.000) 6.329 95.372 ( -7.540 3.237 0.000) 8.206 95.496 ( 4.145 2.247 0.000) 4.715 95.781 ( 1.294 -2.043 0.000) 2.418 95.902 ( 4.293 -0.429 0.000) 4.315 96.044 ( -6.644 -3.003 0.000) 7.291 96.632 ( 2.924 -1.132 0.000) 3.135 96.706 ( 1.658 -1.948 0.000) 2.559 96.765 ( -4.578 1.128 0.000) 4.715 96.913 ( -5.931 5.035 0.000) 7.780 97.045 ( 6.031 -0.844 0.000) 6.090 97.168 ( -5.473 1.137 0.000) 5.590 99.518 ( 20.013 -0.671 0.000) 20.024 99.869 ( -15.180 0.527 0.000) 15.189 100.614 ( -6.053 -0.334 0.000) 6.062 100.885 ( -4.877 0.276 0.000) 4.885 104.347 ( 6.126 1.547 0.000) 6.319 104.391 ( 4.606 2.931 0.000) 5.459 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 24.888 0.000 0.000) 24.888 1.113 ( 30.845 0.000 0.000) 30.845 1.860 ( 48.386 0.000 0.000) 48.386 2.845 ( -6.058 -0.000 0.000) 6.058 2.858 ( 1.944 0.000 0.000) 1.944 2.863 ( -8.842 -0.000 0.000) 8.842 3.059 ( -2.448 -0.000 0.000) 2.448 3.061 ( 15.584 0.000 0.000) 15.584 3.204 ( -6.031 -0.000 0.000) 6.031 3.204 ( 2.310 0.000 0.000) 2.310 3.394 ( 4.156 0.000 0.000) 4.156 3.629 ( -4.252 -0.000 0.000) 4.252 3.867 ( 1.967 0.000 0.000) 1.967 3.966 ( -10.790 -0.000 0.000) 10.790 4.092 ( 6.348 0.000 0.000) 6.348 4.191 ( 5.825 0.000 0.000) 5.825 4.321 ( -4.161 -0.000 0.000) 4.161 4.446 ( -1.820 -0.000 0.000) 1.820 4.551 ( 2.365 0.000 0.000) 2.365 4.553 ( 0.503 0.000 0.000) 0.503 4.727 ( 5.131 0.000 0.000) 5.131 5.100 ( -9.543 -0.000 0.000) 9.543 5.376 ( -3.345 -0.000 0.000) 3.345 5.465 ( 9.010 0.000 0.000) 9.010 5.692 ( 7.311 0.000 0.000) 7.311 5.808 ( 9.926 0.000 0.000) 9.926 5.879 ( 3.142 0.000 0.000) 3.142 6.116 ( -8.205 -0.000 0.000) 8.205 6.324 ( 2.636 0.000 0.000) 2.636 6.335 ( 6.017 0.000 0.000) 6.017 6.586 ( 1.829 0.000 0.000) 1.829 6.595 ( 13.296 0.000 0.000) 13.296 6.962 ( -4.350 -0.000 0.000) 4.350 6.976 ( 8.994 0.000 0.000) 8.994 7.089 ( -1.473 -0.000 0.000) 1.473 7.096 ( 6.249 0.000 0.000) 6.249 7.177 ( -15.015 -0.000 0.000) 15.015 7.243 ( -11.003 -0.000 0.000) 11.003 7.735 ( -4.312 -0.000 0.000) 4.312 7.774 ( -3.290 -0.000 0.000) 3.290 7.934 ( -5.174 -0.000 0.000) 5.174 8.292 ( -7.469 -0.000 0.000) 7.469 8.294 ( 3.892 0.000 0.000) 3.892 8.350 ( -1.154 -0.000 0.000) 1.154 8.378 ( 3.271 0.000 0.000) 3.271 8.638 ( -8.456 -0.000 0.000) 8.456 8.758 ( 2.106 0.000 0.000) 2.106 8.910 ( -11.804 -0.000 0.000) 11.804 14.341 ( -15.855 -0.000 0.000) 15.855 14.399 ( 7.337 0.000 0.000) 7.337 14.529 ( -24.573 -0.000 0.000) 24.573 15.110 ( -0.518 -0.000 0.000) 0.518 16.137 ( 16.201 0.000 0.000) 16.201 16.648 ( 11.839 0.000 0.000) 11.839 16.758 ( 16.063 0.000 0.000) 16.063 17.210 ( 15.230 0.000 0.000) 15.230 17.508 ( 16.031 0.000 0.000) 16.031 17.546 ( -0.025 -0.000 0.000) 0.025 18.508 ( -4.894 -0.000 0.000) 4.894 18.789 ( 3.977 0.000 0.000) 3.977 19.151 ( -2.291 -0.000 0.000) 2.291 19.558 ( 19.613 0.000 0.000) 19.613 19.688 ( -11.595 -0.000 0.000) 11.595 19.814 ( -4.068 -0.000 0.000) 4.068 20.821 ( 0.320 0.000 0.000) 0.320 20.945 ( 4.492 0.000 0.000) 4.492 21.013 ( -0.143 -0.000 0.000) 0.143 21.080 ( -4.992 -0.000 0.000) 4.992 21.575 ( -11.538 -0.000 0.000) 11.538 21.956 ( -20.733 -0.000 0.000) 20.733 22.030 ( -6.086 -0.000 0.000) 6.086 22.093 ( 18.642 0.000 0.000) 18.642 22.109 ( -11.880 -0.000 0.000) 11.880 23.556 ( -11.030 -0.000 0.000) 11.030 23.653 ( 9.599 0.000 0.000) 9.599 24.088 ( 0.710 0.000 0.000) 0.710 24.856 ( -11.177 -0.000 0.000) 11.177 25.329 ( -12.448 -0.000 0.000) 12.448 44.535 ( 3.639 0.000 0.000) 3.639 45.171 ( -5.285 -0.000 0.000) 5.285 45.187 ( 0.873 0.000 0.000) 0.873 45.408 ( 0.357 0.000 0.000) 0.357 45.537 ( 7.719 0.000 0.000) 7.719 45.799 ( -0.662 -0.000 0.000) 0.662 47.070 ( 4.931 0.000 0.000) 4.931 47.473 ( -2.802 -0.000 0.000) 2.802 47.481 ( 7.709 0.000 0.000) 7.709 48.157 ( -5.899 -0.000 0.000) 5.899 94.637 ( 4.334 0.000 0.000) 4.334 94.849 ( 1.278 0.000 0.000) 1.278 95.068 ( -1.822 -0.000 0.000) 1.822 95.392 ( 6.624 0.000 0.000) 6.624 95.452 ( 6.672 0.000 0.000) 6.672 95.738 ( -6.848 -0.000 0.000) 6.848 95.945 ( -7.223 -0.000 0.000) 7.223 96.050 ( 0.311 0.000 0.000) 0.311 96.513 ( 1.347 0.000 0.000) 1.347 96.641 ( 0.468 0.000 0.000) 0.468 96.831 ( 4.670 0.000 0.000) 4.670 97.033 ( -7.473 -0.000 0.000) 7.473 97.335 ( -1.523 -0.000 0.000) 1.523 97.528 ( -15.369 -0.000 0.000) 15.369 98.828 ( 17.846 0.000 0.000) 17.846 100.067 ( -0.462 -0.000 0.000) 0.462 101.244 ( -12.101 -0.000 0.000) 12.101 101.356 ( -32.408 -0.000 0.000) 32.408 103.820 ( 27.075 0.000 0.000) 27.075 104.337 ( 9.480 0.000 0.000) 9.480 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 27.490 -11.765 0.000) 29.902 1.646 ( 27.909 -2.834 0.000) 28.053 2.556 ( 21.032 0.688 0.000) 21.044 2.697 ( -7.811 2.553 0.000) 8.218 2.758 ( -6.269 3.103 0.000) 6.995 2.834 ( 8.092 -1.655 0.000) 8.260 3.061 ( -9.892 -0.525 0.000) 9.906 3.095 ( 4.857 -0.144 0.000) 4.859 3.234 ( 0.171 -1.209 0.000) 1.221 3.348 ( 14.275 -0.566 0.000) 14.286 3.465 ( 3.808 -0.342 0.000) 3.823 3.543 ( -4.950 -0.328 0.000) 4.960 3.803 ( -3.552 2.532 0.000) 4.362 3.961 ( 5.580 -3.653 0.000) 6.669 4.198 ( 4.379 -0.207 0.000) 4.384 4.258 ( -1.546 0.377 0.000) 1.591 4.283 ( 5.653 1.812 0.000) 5.936 4.392 ( -2.700 2.587 0.000) 3.739 4.556 ( -1.471 -3.161 0.000) 3.486 4.627 ( 5.836 -0.787 0.000) 5.889 4.814 ( 4.367 1.145 0.000) 4.515 4.959 ( -7.024 -1.243 0.000) 7.133 5.314 ( -3.967 -0.363 0.000) 3.984 5.580 ( 1.491 0.773 0.000) 1.679 5.771 ( 1.503 3.600 0.000) 3.901 5.886 ( 1.608 1.231 0.000) 2.025 5.981 ( 8.899 0.457 0.000) 8.911 6.000 ( -3.304 -0.339 0.000) 3.322 6.384 ( 1.321 -2.908 0.000) 3.194 6.390 ( 2.035 6.936 0.000) 7.229 6.601 ( -4.900 -5.521 0.000) 7.382 6.785 ( 4.992 5.148 0.000) 7.170 6.873 ( -2.019 -4.245 0.000) 4.701 6.976 ( -5.461 -0.661 0.000) 5.501 7.070 ( -0.428 -0.495 0.000) 0.654 7.072 ( 2.656 -0.097 0.000) 2.658 7.134 ( -0.048 1.107 0.000) 1.108 7.238 ( 8.793 1.580 0.000) 8.934 7.659 ( -3.751 0.526 0.000) 3.788 7.739 ( -1.238 -2.112 0.000) 2.448 7.811 ( -7.753 0.053 0.000) 7.753 8.183 ( -4.627 0.673 0.000) 4.676 8.194 ( -10.010 0.487 0.000) 10.022 8.353 ( 1.899 -1.714 0.000) 2.558 8.472 ( -7.886 0.762 0.000) 7.923 8.524 ( 5.162 -1.179 0.000) 5.295 8.700 ( -7.985 1.561 0.000) 8.136 8.810 ( 0.193 -2.057 0.000) 2.066 14.108 ( -10.267 0.369 0.000) 10.274 14.170 ( -16.066 -0.568 0.000) 16.076 14.515 ( 5.361 -0.230 0.000) 5.366 15.083 ( -1.127 2.057 0.000) 2.345 16.381 ( 11.784 -0.888 0.000) 11.817 16.883 ( 13.152 -0.532 0.000) 13.163 16.925 ( 3.798 0.359 0.000) 3.815 17.525 ( -2.080 0.942 0.000) 2.284 17.539 ( 21.216 -1.427 0.000) 21.264 17.825 ( 18.753 -0.393 0.000) 18.757 18.453 ( -1.094 2.045 0.000) 2.319 18.868 ( 4.403 1.663 0.000) 4.706 19.013 ( -12.530 0.974 0.000) 12.568 19.470 ( -11.060 1.345 0.000) 11.141 19.699 ( 0.769 6.763 0.000) 6.807 19.927 ( 11.667 -7.226 0.000) 13.724 20.834 ( 5.893 4.864 0.000) 7.641 20.974 ( -7.941 -1.698 0.000) 8.121 21.037 ( 5.364 0.098 0.000) 5.365 21.095 ( 9.256 1.663 0.000) 9.405 21.351 ( -13.473 -0.666 0.000) 13.489 21.627 ( -14.175 0.551 0.000) 14.186 21.876 ( -12.094 -0.130 0.000) 12.094 21.885 ( -14.008 -1.106 0.000) 14.052 22.421 ( 19.257 0.729 0.000) 19.271 23.325 ( -15.441 -0.440 0.000) 15.447 23.810 ( 7.940 -0.279 0.000) 7.945 24.088 ( -0.825 0.225 0.000) 0.855 24.688 ( -6.738 -0.295 0.000) 6.744 25.089 ( -14.176 0.230 0.000) 14.178 44.616 ( 5.395 -0.592 0.000) 5.428 45.062 ( -6.722 0.528 0.000) 6.743 45.228 ( 3.641 0.226 0.000) 3.648 45.396 ( -2.170 -0.759 0.000) 2.299 45.657 ( 5.658 -0.120 0.000) 5.659 45.795 ( 0.329 0.432 0.000) 0.543 47.166 ( 6.079 0.355 0.000) 6.089 47.414 ( -4.197 -0.455 0.000) 4.222 47.635 ( 9.952 0.688 0.000) 9.976 48.038 ( -8.204 -1.030 0.000) 8.268 94.721 ( 5.772 1.315 0.000) 5.920 94.854 ( -1.794 -0.993 0.000) 2.050 95.063 ( 1.555 -0.919 0.000) 1.806 95.498 ( 7.152 3.913 0.000) 8.153 95.592 ( -8.754 1.354 0.000) 8.858 95.609 ( 9.874 -1.493 0.000) 9.987 95.829 ( -7.559 -4.570 0.000) 8.833 96.055 ( -0.670 -0.756 0.000) 1.010 96.551 ( 2.711 -0.588 0.000) 2.774 96.650 ( 0.456 -0.476 0.000) 0.660 96.900 ( -7.196 0.537 0.000) 7.216 96.925 ( 5.796 -0.230 0.000) 5.801 97.248 ( -14.013 3.540 0.000) 14.453 97.281 ( -4.235 0.509 0.000) 4.266 99.156 ( 19.883 0.245 0.000) 19.885 100.039 ( -4.309 -0.554 0.000) 4.345 100.860 ( -22.354 0.543 0.000) 22.360 101.039 ( -11.018 -0.170 0.000) 11.020 104.194 ( 15.739 0.808 0.000) 15.760 104.448 ( 6.927 5.990 0.000) 9.158 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 26.137 -11.662 0.000) 28.621 2.102 ( 19.263 -2.618 0.000) 19.440 2.531 ( -15.316 1.402 0.000) 15.380 2.584 ( -1.269 1.735 0.000) 2.150 2.604 ( -0.909 3.105 0.000) 3.236 2.850 ( -13.537 1.169 0.000) 13.588 3.102 ( 7.028 4.043 0.000) 8.108 3.172 ( 2.462 2.807 0.000) 3.734 3.277 ( 5.936 -3.901 0.000) 7.103 3.433 ( -1.509 1.760 0.000) 2.318 3.524 ( 2.664 0.038 0.000) 2.665 3.590 ( 6.156 -2.644 0.000) 6.699 3.809 ( 1.953 -5.605 0.000) 5.935 4.130 ( 8.495 -1.160 0.000) 8.573 4.175 ( -1.364 3.272 0.000) 3.545 4.294 ( -3.075 6.596 0.000) 7.278 4.334 ( 3.796 -4.416 0.000) 5.824 4.403 ( 10.482 -0.541 0.000) 10.496 4.559 ( -2.375 -4.075 0.000) 4.717 4.740 ( 5.089 1.345 0.000) 5.263 4.814 ( -2.941 4.380 0.000) 5.275 4.887 ( -2.546 -3.921 0.000) 4.675 5.252 ( -3.998 -2.035 0.000) 4.486 5.450 ( -9.576 4.216 0.000) 10.463 5.740 ( -1.881 1.372 0.000) 2.328 5.943 ( 3.430 1.861 0.000) 3.902 5.991 ( 1.213 -1.007 0.000) 1.577 6.074 ( 2.409 3.258 0.000) 4.052 6.243 ( -9.364 4.811 0.000) 10.528 6.423 ( 1.935 -1.343 0.000) 2.355 6.543 ( -3.980 -5.216 0.000) 6.562 6.761 ( -0.269 1.468 0.000) 1.492 6.922 ( 0.387 -1.013 0.000) 1.085 6.980 ( 1.823 -1.817 0.000) 2.574 7.088 ( -2.901 -3.392 0.000) 4.463 7.100 ( 2.860 0.359 0.000) 2.882 7.180 ( 4.600 1.205 0.000) 4.756 7.320 ( 1.625 2.511 0.000) 2.991 7.602 ( -1.588 1.110 0.000) 1.937 7.710 ( -3.406 -0.791 0.000) 3.496 7.787 ( 4.773 -1.970 0.000) 5.164 8.024 ( -7.600 1.141 0.000) 7.685 8.111 ( -2.542 0.870 0.000) 2.687 8.347 ( -3.974 0.274 0.000) 3.984 8.391 ( 0.402 -2.229 0.000) 2.265 8.598 ( -1.254 0.780 0.000) 1.477 8.603 ( 2.211 -0.567 0.000) 2.282 8.835 ( 0.820 -0.302 0.000) 0.874 13.966 ( -5.144 0.448 0.000) 5.163 14.006 ( -3.513 -0.615 0.000) 3.566 14.582 ( 2.108 -0.142 0.000) 2.113 15.040 ( -2.120 1.172 0.000) 2.422 16.579 ( 9.252 -2.228 0.000) 9.517 16.871 ( -6.194 2.272 0.000) 6.597 17.124 ( 11.158 -1.782 0.000) 11.299 17.448 ( -5.303 2.175 0.000) 5.732 17.958 ( 23.827 -2.725 0.000) 23.983 18.121 ( 12.894 -1.255 0.000) 12.955 18.387 ( -5.794 2.216 0.000) 6.203 18.622 ( -22.358 5.229 0.000) 22.962 18.984 ( 3.685 -0.196 0.000) 3.690 19.306 ( -7.203 -1.027 0.000) 7.276 19.643 ( -3.430 0.306 0.000) 3.444 20.141 ( 7.840 -0.682 0.000) 7.870 20.835 ( -10.739 -3.957 0.000) 11.445 20.930 ( 9.092 5.431 0.000) 10.591 21.106 ( 3.416 0.432 0.000) 3.443 21.155 ( -8.728 -1.257 0.000) 8.818 21.299 ( 15.148 0.836 0.000) 15.171 21.535 ( 5.016 1.077 0.000) 5.130 21.608 ( -17.805 0.345 0.000) 17.809 21.653 ( -13.063 -1.295 0.000) 13.127 22.752 ( 19.310 1.163 0.000) 19.345 23.032 ( -18.433 -0.981 0.000) 18.459 23.932 ( 5.534 -0.410 0.000) 5.549 24.052 ( -2.979 0.375 0.000) 3.003 24.661 ( 3.409 -0.795 0.000) 3.500 24.855 ( -11.146 0.798 0.000) 11.174 44.732 ( 6.860 -1.191 0.000) 6.963 44.931 ( -7.270 1.175 0.000) 7.364 45.295 ( 3.424 1.123 0.000) 3.604 45.357 ( -2.235 -1.569 0.000) 2.730 45.729 ( 2.288 -0.216 0.000) 2.298 45.794 ( -0.168 0.583 0.000) 0.607 47.270 ( 6.182 0.674 0.000) 6.218 47.335 ( -5.337 -0.767 0.000) 5.392 47.809 ( 10.779 1.483 0.000) 10.880 47.892 ( -9.753 -1.752 0.000) 9.909 94.788 ( -1.331 0.356 0.000) 1.377 94.824 ( 2.495 0.425 0.000) 2.531 95.142 ( 5.467 -2.270 0.000) 5.920 95.420 ( -8.783 1.980 0.000) 9.003 95.540 ( -0.319 2.512 0.000) 2.532 95.747 ( 2.742 -1.523 0.000) 3.137 95.848 ( 6.217 -4.495 0.000) 7.672 96.036 ( -0.571 1.115 0.000) 1.253 96.616 ( 3.893 -0.645 0.000) 3.946 96.670 ( 0.812 -1.741 0.000) 1.921 96.780 ( -5.547 0.605 0.000) 5.580 96.998 ( -10.121 3.814 0.000) 10.816 97.033 ( 6.005 -0.507 0.000) 6.027 97.185 ( -5.944 0.708 0.000) 5.986 99.512 ( 20.199 -0.127 0.000) 20.199 99.876 ( -14.889 0.214 0.000) 14.891 100.609 ( -5.845 -0.241 0.000) 5.850 100.891 ( -5.130 0.279 0.000) 5.138 104.350 ( 2.485 -0.158 0.000) 2.490 104.470 ( 0.541 4.272 0.000) 4.306 ======================= Grid point 13 (9/100) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -12.982 -0.844 0.000) 13.009 2.227 ( -6.421 2.913 0.000) 7.051 2.321 ( 15.877 -0.373 0.000) 15.882 2.560 ( -6.848 1.638 0.000) 7.041 2.569 ( -0.132 0.429 0.000) 0.449 2.771 ( 12.444 -2.987 0.000) 12.798 3.063 ( -7.585 -2.187 0.000) 7.894 3.178 ( 4.785 8.162 0.000) 9.461 3.377 ( 2.840 1.507 0.000) 3.215 3.417 ( 1.209 0.846 0.000) 1.476 3.540 ( -1.644 0.197 0.000) 1.656 3.646 ( -1.571 0.169 0.000) 1.580 3.899 ( -0.681 -7.398 0.000) 7.429 4.126 ( -9.089 7.051 0.000) 11.504 4.141 ( 0.446 1.657 0.000) 1.716 4.224 ( 3.873 0.667 0.000) 3.930 4.387 ( -3.011 -2.956 0.000) 4.220 4.485 ( -9.503 2.154 0.000) 9.744 4.655 ( 6.481 1.791 0.000) 6.724 4.698 ( 4.337 -0.204 0.000) 4.341 4.717 ( -4.474 0.559 0.000) 4.509 4.962 ( 5.293 -1.240 0.000) 5.437 5.216 ( -3.440 -4.712 0.000) 5.834 5.324 ( -0.039 -0.461 0.000) 0.463 5.675 ( -5.621 -1.948 0.000) 5.949 5.928 ( -1.688 1.580 0.000) 2.312 6.006 ( -4.351 0.772 0.000) 4.419 6.046 ( 3.558 2.241 0.000) 4.204 6.135 ( -2.760 -1.616 0.000) 3.199 6.487 ( 5.310 1.731 0.000) 5.585 6.540 ( -2.733 -4.702 0.000) 5.439 6.762 ( 2.879 2.258 0.000) 3.658 6.936 ( -0.008 -1.651 0.000) 1.651 7.014 ( 1.280 0.246 0.000) 1.304 7.031 ( -8.186 -6.727 0.000) 10.595 7.112 ( -0.934 0.848 0.000) 1.262 7.206 ( -1.969 1.450 0.000) 2.445 7.252 ( -6.373 0.268 0.000) 6.378 7.597 ( 2.046 1.072 0.000) 2.310 7.701 ( 1.117 -1.471 0.000) 1.847 7.887 ( 2.988 2.384 0.000) 3.823 7.978 ( 6.125 -0.676 0.000) 6.163 8.103 ( 2.496 0.522 0.000) 2.550 8.354 ( 4.981 0.717 0.000) 5.033 8.404 ( -0.953 -1.823 0.000) 2.057 8.610 ( -1.865 -0.397 0.000) 1.907 8.646 ( 7.843 3.493 0.000) 8.586 8.838 ( -0.269 -0.389 0.000) 0.473 13.953 ( 3.724 -0.224 0.000) 3.730 14.027 ( 5.842 0.455 0.000) 5.860 14.591 ( -1.041 0.286 0.000) 1.080 14.989 ( -3.748 -1.189 0.000) 3.932 16.680 ( -8.692 2.303 0.000) 8.992 16.752 ( 3.391 -3.143 0.000) 4.623 17.238 ( -3.998 3.604 0.000) 5.383 17.360 ( 2.129 -1.711 0.000) 2.731 18.127 ( -23.058 5.682 0.000) 23.747 18.179 ( -14.966 1.543 0.000) 15.045 18.278 ( 2.151 -2.993 0.000) 3.685 18.422 ( 20.227 -4.453 0.000) 20.711 18.996 ( -2.017 1.307 0.000) 2.403 19.255 ( -1.591 -4.638 0.000) 4.903 19.556 ( -8.771 -3.847 0.000) 9.577 20.223 ( 3.514 3.045 0.000) 4.650 20.672 ( -12.784 -6.227 0.000) 14.220 21.031 ( 7.585 5.130 0.000) 9.157 21.082 ( -1.643 -0.700 0.000) 1.786 21.210 ( 9.769 1.316 0.000) 9.857 21.285 ( -17.366 0.035 0.000) 17.366 21.487 ( -4.541 -1.210 0.000) 4.699 21.587 ( 16.680 -0.558 0.000) 16.689 21.718 ( 14.672 1.792 0.000) 14.781 22.699 ( -19.866 -1.328 0.000) 19.911 23.078 ( 18.166 1.174 0.000) 18.204 23.958 ( -4.690 0.965 0.000) 4.788 24.027 ( 2.321 -0.923 0.000) 2.497 24.706 ( -3.217 1.403 0.000) 3.509 24.817 ( 11.808 -1.036 0.000) 11.853 44.793 ( -6.902 1.647 0.000) 7.096 44.873 ( 7.621 -1.542 0.000) 7.775 45.270 ( -3.527 -0.308 0.000) 3.540 45.401 ( 4.392 0.732 0.000) 4.452 45.739 ( -1.401 0.092 0.000) 1.404 45.774 ( -1.666 -0.155 0.000) 1.673 47.238 ( -6.204 -0.863 0.000) 6.264 47.371 ( 5.656 0.901 0.000) 5.728 47.733 ( -10.266 -2.094 0.000) 10.477 47.978 ( 10.259 2.255 0.000) 10.504 94.716 ( -5.680 -1.942 0.000) 6.002 94.892 ( 4.903 2.755 0.000) 5.624 95.228 ( -3.334 1.365 0.000) 3.602 95.315 ( 3.665 -2.756 0.000) 4.586 95.461 ( -6.895 -1.599 0.000) 7.078 95.811 ( 1.968 1.193 0.000) 2.302 95.883 ( -3.717 -1.578 0.000) 4.038 96.120 ( 11.766 4.534 0.000) 12.610 96.656 ( -1.455 1.442 0.000) 2.049 96.709 ( 0.634 -2.233 0.000) 2.322 96.741 ( 3.073 -1.493 0.000) 3.417 96.857 ( -2.559 -0.502 0.000) 2.608 97.061 ( -6.106 0.897 0.000) 6.171 97.147 ( 5.000 -1.139 0.000) 5.128 99.535 ( -20.050 1.114 0.000) 20.081 99.858 ( 15.896 -0.741 0.000) 15.913 100.619 ( 6.120 0.252 0.000) 6.125 100.882 ( 4.794 -0.085 0.000) 4.795 104.290 ( -10.612 -3.125 0.000) 11.063 104.385 ( -7.809 0.770 0.000) 7.847 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -15.649 12.012 0.000) 19.727 1.903 ( -20.075 10.145 0.000) 22.493 2.488 ( -0.332 -3.743 0.000) 3.758 2.533 ( 1.196 -5.197 0.000) 5.333 2.667 ( 4.296 0.173 0.000) 4.299 2.872 ( -14.693 2.435 0.000) 14.894 3.040 ( 12.129 -2.273 0.000) 12.340 3.207 ( 6.921 7.490 0.000) 10.198 3.368 ( -1.707 3.467 0.000) 3.864 3.417 ( -3.948 3.530 0.000) 5.296 3.439 ( -8.520 0.157 0.000) 8.522 3.574 ( -0.458 1.106 0.000) 1.197 3.797 ( -7.834 2.618 0.000) 8.260 4.006 ( -3.055 -3.686 0.000) 4.787 4.171 ( 2.770 -1.432 0.000) 3.118 4.260 ( -3.437 4.593 0.000) 5.736 4.285 ( -7.531 1.083 0.000) 7.609 4.313 ( -0.028 -0.657 0.000) 0.658 4.634 ( -4.975 -1.136 0.000) 5.103 4.666 ( 2.532 0.018 0.000) 2.532 4.808 ( 0.738 2.661 0.000) 2.761 5.043 ( 5.041 2.009 0.000) 5.427 5.239 ( 0.640 -6.573 0.000) 6.604 5.451 ( 7.942 -6.451 0.000) 10.232 5.585 ( -6.809 -3.001 0.000) 7.441 5.879 ( -2.264 1.511 0.000) 2.722 5.938 ( -4.998 -1.260 0.000) 5.154 6.040 ( -1.809 3.040 0.000) 3.537 6.132 ( -1.780 -6.002 0.000) 6.260 6.504 ( -7.728 -7.268 0.000) 10.609 6.554 ( 4.200 4.458 0.000) 6.125 6.799 ( 1.844 2.844 0.000) 3.390 6.950 ( -8.165 -8.811 0.000) 12.012 6.987 ( 5.507 -0.270 0.000) 5.514 7.019 ( 2.342 2.919 0.000) 3.743 7.090 ( -7.240 0.084 0.000) 7.241 7.094 ( 0.759 0.256 0.000) 0.801 7.155 ( -5.310 -1.429 0.000) 5.499 7.639 ( 2.928 0.119 0.000) 2.930 7.781 ( 6.070 -1.853 0.000) 6.346 7.910 ( 4.901 5.905 0.000) 7.674 8.151 ( 9.969 -1.670 0.000) 10.108 8.172 ( 5.394 0.334 0.000) 5.405 8.390 ( -2.328 -1.248 0.000) 2.642 8.465 ( 5.288 0.732 0.000) 5.338 8.560 ( -1.797 0.062 0.000) 1.798 8.697 ( -1.716 2.473 0.000) 3.010 8.919 ( 12.798 3.086 0.000) 13.164 14.090 ( 11.228 -0.412 0.000) 11.235 14.205 ( 15.274 0.994 0.000) 15.307 14.538 ( -4.382 1.025 0.000) 4.501 14.931 ( -5.790 -4.770 0.000) 7.502 16.447 ( -14.015 1.983 0.000) 14.154 16.815 ( -2.341 -3.209 0.000) 3.972 17.030 ( -11.433 5.369 0.000) 12.631 17.451 ( 2.978 -2.576 0.000) 3.937 17.669 ( -21.920 4.931 0.000) 22.468 17.854 ( -19.152 0.988 0.000) 19.177 18.296 ( -3.022 -5.157 0.000) 5.978 18.761 ( 10.262 -2.954 0.000) 10.678 18.936 ( -3.414 -1.755 0.000) 3.839 19.312 ( 2.638 -7.557 0.000) 8.004 19.408 ( -13.555 -7.816 0.000) 15.647 20.231 ( 2.946 7.432 0.000) 7.994 20.507 ( -13.266 -8.285 0.000) 15.641 21.028 ( -5.446 -0.298 0.000) 5.454 21.043 ( -9.556 -0.567 0.000) 9.573 21.103 ( 5.234 4.004 0.000) 6.590 21.403 ( 12.891 1.681 0.000) 13.000 21.588 ( 14.197 -1.146 0.000) 14.244 21.859 ( 12.802 -1.109 0.000) 12.849 21.971 ( 15.913 2.901 0.000) 16.175 22.364 ( -19.750 -1.960 0.000) 19.847 23.362 ( 15.198 1.287 0.000) 15.253 23.835 ( -7.935 0.934 0.000) 7.990 24.067 ( 0.970 -0.794 0.000) 1.254 24.715 ( 5.550 1.045 0.000) 5.648 25.073 ( 15.442 -0.498 0.000) 15.450 44.666 ( -5.713 1.743 0.000) 5.973 45.019 ( 7.327 -1.479 0.000) 7.475 45.216 ( -2.617 -0.251 0.000) 2.629 45.451 ( 2.089 1.721 0.000) 2.707 45.673 ( -5.256 0.832 0.000) 5.322 45.757 ( -0.764 -1.385 0.000) 1.581 47.136 ( -6.239 -1.042 0.000) 6.325 47.451 ( 4.522 1.245 0.000) 4.690 47.577 ( -9.511 -2.078 0.000) 9.736 48.122 ( 8.607 2.848 0.000) 9.066 94.638 ( -5.308 -2.363 0.000) 5.811 94.926 ( 1.185 2.515 0.000) 2.781 95.135 ( -2.223 2.596 0.000) 3.417 95.349 ( -8.011 -3.026 0.000) 8.563 95.470 ( 7.369 -4.768 0.000) 8.777 95.696 ( -8.632 2.651 0.000) 9.030 95.924 ( 3.784 -0.336 0.000) 3.799 96.253 ( 9.419 8.793 0.000) 12.886 96.603 ( -1.762 1.974 0.000) 2.647 96.691 ( -1.640 1.275 0.000) 2.077 96.849 ( 6.218 -2.069 0.000) 6.553 96.945 ( -5.923 0.771 0.000) 5.973 96.961 ( 6.881 -9.840 0.000) 12.007 97.239 ( 3.831 -1.492 0.000) 4.111 99.164 ( -20.466 1.037 0.000) 20.493 100.070 ( 8.082 0.610 0.000) 8.105 100.815 ( 15.123 -1.473 0.000) 15.194 101.063 ( 16.242 1.055 0.000) 16.276 104.050 ( -21.941 -7.455 0.000) 23.173 104.178 ( -17.058 -2.985 0.000) 17.317 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -21.718 14.669 0.000) 26.208 1.434 ( -16.478 17.199 0.000) 23.818 2.243 ( -27.933 25.374 0.000) 37.737 2.519 ( -5.524 -12.182 0.000) 13.376 2.649 ( 3.971 -9.264 0.000) 10.079 2.796 ( 0.606 -2.874 0.000) 2.937 3.154 ( -9.653 3.988 0.000) 10.445 3.233 ( 1.654 1.126 0.000) 2.001 3.237 ( -0.180 4.591 0.000) 4.595 3.257 ( -3.438 3.530 0.000) 4.928 3.350 ( -3.465 -1.194 0.000) 3.665 3.671 ( 8.973 1.689 0.000) 9.130 3.794 ( 6.895 -0.234 0.000) 6.899 3.973 ( -3.978 -3.589 0.000) 5.358 4.126 ( -6.561 1.983 0.000) 6.855 4.137 ( -4.051 3.254 0.000) 5.196 4.274 ( 4.358 -2.396 0.000) 4.973 4.380 ( 3.112 -2.092 0.000) 3.750 4.561 ( -4.389 -1.039 0.000) 4.511 4.710 ( -2.457 5.882 0.000) 6.375 4.739 ( 1.938 1.390 0.000) 2.385 5.129 ( 6.779 0.987 0.000) 6.851 5.336 ( 4.514 -5.352 0.000) 7.002 5.468 ( -5.978 0.193 0.000) 5.981 5.628 ( 0.348 -4.944 0.000) 4.957 5.836 ( -1.881 -0.719 0.000) 2.014 5.850 ( -5.374 -1.284 0.000) 5.525 5.969 ( -1.405 -0.666 0.000) 1.554 6.158 ( -2.434 -7.357 0.000) 7.750 6.408 ( -9.997 -7.279 0.000) 12.366 6.516 ( -3.075 5.299 0.000) 6.127 6.737 ( -5.359 2.757 0.000) 6.026 6.896 ( -8.776 -7.867 0.000) 11.786 6.988 ( -4.905 -2.949 0.000) 5.723 7.018 ( 2.970 2.357 0.000) 3.792 7.130 ( 3.933 1.938 0.000) 4.384 7.166 ( 6.618 -1.269 0.000) 6.738 7.194 ( 13.730 0.251 0.000) 13.732 7.688 ( 1.799 -1.437 0.000) 2.302 7.917 ( 6.889 -1.187 0.000) 6.991 7.942 ( 4.949 6.994 0.000) 8.568 8.275 ( 5.991 0.140 0.000) 5.993 8.327 ( 7.865 -1.814 0.000) 8.072 8.341 ( -4.431 -1.239 0.000) 4.601 8.391 ( -8.248 1.147 0.000) 8.327 8.591 ( -8.217 -0.547 0.000) 8.235 8.653 ( 7.891 0.531 0.000) 7.909 9.161 ( 18.376 6.957 0.000) 19.649 14.337 ( 16.329 -0.151 0.000) 16.330 14.424 ( -6.996 1.439 0.000) 7.143 14.541 ( 23.504 0.548 0.000) 23.510 14.870 ( -8.559 -9.006 0.000) 12.425 16.157 ( -17.863 0.776 0.000) 17.880 16.690 ( -12.996 -0.368 0.000) 13.001 16.784 ( -12.258 3.916 0.000) 12.868 17.298 ( -15.422 4.165 0.000) 15.974 17.483 ( -4.568 -1.360 0.000) 4.766 17.552 ( -10.300 0.532 0.000) 10.314 18.319 ( 0.143 -8.231 0.000) 8.232 18.801 ( -1.863 1.159 0.000) 2.194 18.882 ( -12.457 -10.332 0.000) 16.184 19.237 ( -14.662 -9.739 0.000) 17.602 19.513 ( 10.286 -8.694 0.000) 13.468 20.195 ( 2.591 11.605 0.000) 11.890 20.349 ( -15.167 -10.869 0.000) 18.659 20.936 ( -4.691 -0.459 0.000) 4.714 20.980 ( 2.010 -0.618 0.000) 2.102 21.148 ( 3.468 2.717 0.000) 4.406 21.603 ( 10.915 1.340 0.000) 10.997 21.915 ( 19.693 -1.209 0.000) 19.730 21.993 ( -9.266 -2.366 0.000) 9.563 22.096 ( -2.010 -0.475 0.000) 2.066 22.203 ( 13.609 3.774 0.000) 14.123 23.580 ( 10.825 1.066 0.000) 10.877 23.671 ( -9.587 0.853 0.000) 9.625 24.076 ( -0.575 -0.612 0.000) 0.840 24.859 ( 10.423 0.057 0.000) 10.423 25.334 ( 13.423 0.220 0.000) 13.425 44.566 ( -3.938 1.500 0.000) 4.214 45.147 ( 5.794 -1.087 0.000) 5.896 45.190 ( -0.283 0.143 0.000) 0.317 45.442 ( -1.193 1.446 0.000) 1.875 45.552 ( -7.344 0.983 0.000) 7.410 45.774 ( 1.147 -1.218 0.000) 1.673 47.045 ( -5.142 -1.180 0.000) 5.276 47.444 ( -7.431 -1.799 0.000) 7.646 47.505 ( 3.038 1.470 0.000) 3.375 48.225 ( 6.133 3.101 0.000) 6.872 94.577 ( -4.031 -2.438 0.000) 4.711 94.893 ( -2.003 1.782 0.000) 2.681 95.114 ( 1.652 2.463 0.000) 2.966 95.241 ( -7.789 -3.964 0.000) 8.740 95.521 ( -7.861 3.086 0.000) 8.445 95.634 ( 6.028 -5.080 0.000) 7.883 95.985 ( 3.118 0.180 0.000) 3.123 96.300 ( 5.690 9.448 0.000) 11.029 96.564 ( -0.561 2.383 0.000) 2.448 96.658 ( -0.867 1.018 0.000) 1.337 96.844 ( -4.672 0.661 0.000) 4.719 96.984 ( 6.637 -2.485 0.000) 7.087 97.195 ( 6.730 -12.632 0.000) 14.313 97.301 ( 1.543 -1.564 0.000) 2.197 98.816 ( -17.753 1.247 0.000) 17.797 100.165 ( 5.685 2.545 0.000) 6.228 101.118 ( 15.189 -3.791 0.000) 15.655 101.435 ( 28.077 2.480 0.000) 28.186 103.665 ( -31.154 -10.975 0.000) 33.031 103.839 ( -27.239 -7.610 0.000) 28.282 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -18.445 20.293 0.000) 27.423 0.922 ( -27.361 14.206 0.000) 30.829 1.499 ( -18.579 41.807 0.000) 45.750 2.516 ( -8.697 -15.751 0.000) 17.993 2.813 ( 3.492 -11.203 0.000) 11.735 2.870 ( 2.903 -3.331 0.000) 4.418 2.895 ( -10.049 4.791 0.000) 11.133 3.135 ( -7.731 -2.185 0.000) 8.034 3.183 ( -2.545 2.134 0.000) 3.321 3.297 ( 2.964 0.530 0.000) 3.011 3.329 ( 2.149 4.480 0.000) 4.969 3.781 ( 5.871 5.104 0.000) 7.780 3.850 ( -2.872 2.711 0.000) 3.949 3.947 ( -2.491 -1.212 0.000) 2.770 4.011 ( -4.231 1.594 0.000) 4.521 4.154 ( 8.898 -2.340 0.000) 9.201 4.367 ( 3.547 -1.879 0.000) 4.014 4.438 ( 1.247 -1.752 0.000) 2.151 4.510 ( -2.512 -1.845 0.000) 3.117 4.557 ( -7.574 4.005 0.000) 8.568 4.764 ( 2.161 5.311 0.000) 5.734 5.265 ( 7.901 -1.850 0.000) 8.115 5.362 ( -4.007 3.257 0.000) 5.164 5.507 ( 10.317 -1.465 0.000) 10.421 5.573 ( -4.573 0.218 0.000) 4.579 5.741 ( -9.084 -0.702 0.000) 9.111 5.830 ( 4.726 -1.561 0.000) 4.978 6.104 ( 9.119 -6.317 0.000) 11.093 6.183 ( -1.189 -6.383 0.000) 6.493 6.308 ( -6.071 -3.536 0.000) 7.025 6.406 ( -4.376 2.348 0.000) 4.966 6.603 ( -7.953 -0.384 0.000) 7.962 6.772 ( -8.424 -1.346 0.000) 8.531 6.973 ( -1.787 -4.613 0.000) 4.947 7.052 ( 2.911 2.475 0.000) 3.821 7.191 ( 6.559 3.838 0.000) 7.599 7.362 ( 10.540 -4.577 0.000) 11.490 7.417 ( 11.223 1.020 0.000) 11.269 7.721 ( -0.722 -3.307 0.000) 3.385 7.959 ( 4.259 6.796 0.000) 8.020 8.018 ( 3.385 0.270 0.000) 3.396 8.205 ( -10.386 2.673 0.000) 10.725 8.234 ( -7.260 -0.857 0.000) 7.311 8.352 ( -5.859 -3.847 0.000) 7.009 8.454 ( 4.483 -1.435 0.000) 4.707 8.458 ( -3.499 -1.043 0.000) 3.651 8.762 ( 4.621 0.394 0.000) 4.638 9.418 ( 19.083 8.906 0.000) 21.059 14.294 ( -5.664 1.117 0.000) 5.773 14.640 ( 16.952 0.088 0.000) 16.952 14.763 ( -16.420 -12.923 0.000) 20.895 14.985 ( 25.566 -0.449 0.000) 25.570 15.822 ( -18.684 -0.083 0.000) 18.684 16.392 ( -20.933 -0.292 0.000) 20.935 16.562 ( -6.626 4.734 0.000) 8.143 17.061 ( -7.726 3.503 0.000) 8.483 17.307 ( -7.927 1.235 0.000) 8.023 17.522 ( -0.525 -1.192 0.000) 1.303 18.461 ( 5.491 -11.570 0.000) 12.807 18.649 ( -29.305 -17.387 0.000) 34.075 18.757 ( -1.443 1.457 0.000) 2.051 19.074 ( -12.655 -7.896 0.000) 14.916 19.749 ( 7.908 -6.332 0.000) 10.130 20.118 ( 1.560 13.416 0.000) 13.506 20.148 ( -19.425 -11.266 0.000) 22.456 20.880 ( -2.191 -0.488 0.000) 2.244 21.107 ( 9.819 -0.888 0.000) 9.860 21.182 ( 3.501 1.560 0.000) 3.833 21.717 ( -18.225 -2.663 0.000) 18.419 21.745 ( 6.048 0.849 0.000) 6.108 22.170 ( 4.378 0.856 0.000) 4.461 22.230 ( 12.855 -1.259 0.000) 12.917 22.375 ( 9.986 3.727 0.000) 10.659 23.499 ( -8.451 0.800 0.000) 8.488 23.718 ( 5.778 0.694 0.000) 5.819 24.065 ( -0.920 -0.437 0.000) 1.019 25.038 ( 8.475 -0.836 0.000) 8.516 25.517 ( 7.622 0.784 0.000) 7.662 44.503 ( -1.944 1.120 0.000) 2.243 45.207 ( 2.612 0.377 0.000) 2.639 45.235 ( 3.175 -0.645 0.000) 3.240 45.403 ( -2.032 0.849 0.000) 2.202 45.412 ( -6.855 0.979 0.000) 6.925 45.807 ( 1.319 -0.738 0.000) 1.512 46.983 ( -2.916 -1.177 0.000) 3.144 47.355 ( -4.141 -1.396 0.000) 4.370 47.531 ( 1.483 1.446 0.000) 2.071 48.280 ( 3.164 2.892 0.000) 4.286 94.543 ( -2.177 -2.219 0.000) 3.108 94.847 ( -1.381 1.300 0.000) 1.896 95.125 ( 1.425 1.874 0.000) 2.355 95.144 ( -8.379 -5.275 0.000) 9.901 95.377 ( -5.275 3.177 0.000) 6.158 95.762 ( 3.397 -4.725 0.000) 5.820 96.031 ( 2.637 0.810 0.000) 2.758 96.303 ( 3.697 6.908 0.000) 7.836 96.538 ( 0.000 2.569 0.000) 2.569 96.641 ( -0.148 0.834 0.000) 0.847 96.773 ( -2.693 0.552 0.000) 2.749 97.116 ( 5.424 -2.741 0.000) 6.077 97.319 ( -0.786 -1.156 0.000) 1.398 97.356 ( -4.307 -13.979 0.000) 14.627 98.539 ( -11.248 2.485 0.000) 11.519 100.259 ( 9.480 4.324 0.000) 10.420 101.381 ( 11.175 -2.116 0.000) 11.373 101.982 ( 35.448 0.918 0.000) 35.460 103.159 ( -38.491 -12.098 0.000) 40.348 103.340 ( -40.947 -11.882 0.000) 42.637 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 19.748 0.000) 19.748 0.488 ( 0.000 27.062 0.000) 27.062 0.922 ( 0.000 51.142 0.000) 51.142 2.523 ( -0.000 -13.588 0.000) 13.588 2.762 ( 0.000 3.566 0.000) 3.566 2.857 ( 0.000 3.411 0.000) 3.411 2.948 ( -0.000 -10.318 0.000) 10.318 3.110 ( -0.000 -4.748 0.000) 4.748 3.132 ( 0.000 2.025 0.000) 2.025 3.319 ( 0.000 0.417 0.000) 0.417 3.319 ( 0.000 4.945 0.000) 4.945 3.744 ( 0.000 3.850 0.000) 3.850 3.774 ( 0.000 6.720 0.000) 6.720 3.915 ( 0.000 2.590 0.000) 2.590 3.962 ( 0.000 0.873 0.000) 0.873 4.359 ( -0.000 -7.798 0.000) 7.798 4.396 ( 0.000 4.515 0.000) 4.515 4.414 ( -0.000 -1.067 0.000) 1.067 4.454 ( -0.000 -0.838 0.000) 0.838 4.509 ( -0.000 -2.115 0.000) 2.115 4.731 ( 0.000 5.782 0.000) 5.782 5.289 ( 0.000 3.369 0.000) 3.369 5.390 ( -0.000 -4.329 0.000) 4.329 5.550 ( 0.000 2.816 0.000) 2.816 5.601 ( 0.000 0.294 0.000) 0.294 5.602 ( -0.000 -0.675 0.000) 0.675 6.050 ( -0.000 -5.806 0.000) 5.806 6.237 ( -0.000 -7.176 0.000) 7.176 6.263 ( -0.000 -3.364 0.000) 3.364 6.358 ( -0.000 -2.744 0.000) 2.744 6.368 ( -0.000 -0.091 0.000) 0.091 6.475 ( -0.000 -7.087 0.000) 7.087 6.676 ( 0.000 1.884 0.000) 1.884 6.992 ( -0.000 -2.891 0.000) 2.891 7.061 ( 0.000 2.181 0.000) 2.181 7.328 ( -0.000 -2.003 0.000) 2.003 7.534 ( -0.000 -7.974 0.000) 7.974 7.538 ( 0.000 3.297 0.000) 3.297 7.671 ( -0.000 -0.089 0.000) 0.089 7.969 ( 0.000 9.455 0.000) 9.455 7.973 ( -0.000 -2.374 0.000) 2.374 8.031 ( 0.000 1.337 0.000) 1.337 8.171 ( 0.000 4.186 0.000) 4.186 8.175 ( 0.000 0.888 0.000) 0.888 8.476 ( -0.000 -0.408 0.000) 0.408 8.505 ( -0.000 -1.079 0.000) 1.079 8.800 ( 0.000 0.292 0.000) 0.292 9.626 ( 0.000 1.794 0.000) 1.794 14.232 ( 0.000 0.626 0.000) 0.626 14.528 ( -0.000 -1.735 0.000) 1.735 14.826 ( 0.000 0.136 0.000) 0.136 15.288 ( -0.000 -1.045 0.000) 1.045 15.618 ( -0.000 -0.383 0.000) 0.383 16.131 ( 0.000 0.771 0.000) 0.771 16.470 ( 0.000 3.393 0.000) 3.393 16.966 ( 0.000 2.616 0.000) 2.616 17.226 ( 0.000 1.005 0.000) 1.005 17.526 ( -0.000 -0.823 0.000) 0.823 18.243 ( -0.000 -0.487 0.000) 0.487 18.657 ( -0.000 -13.203 0.000) 13.203 18.731 ( 0.000 1.163 0.000) 1.163 18.980 ( -0.000 -3.340 0.000) 3.340 19.894 ( -0.000 -1.324 0.000) 1.324 19.931 ( -0.000 -3.792 0.000) 3.792 20.017 ( 0.000 12.050 0.000) 12.050 20.866 ( -0.000 -0.359 0.000) 0.359 21.170 ( 0.000 0.629 0.000) 0.629 21.324 ( -0.000 -0.767 0.000) 0.767 21.489 ( -0.000 -1.796 0.000) 1.796 21.792 ( 0.000 0.502 0.000) 0.502 22.209 ( 0.000 0.423 0.000) 0.423 22.341 ( -0.000 -0.143 0.000) 0.143 22.460 ( 0.000 1.951 0.000) 1.951 23.407 ( 0.000 0.674 0.000) 0.674 23.765 ( 0.000 0.340 0.000) 0.340 24.059 ( -0.000 -0.298 0.000) 0.298 25.135 ( -0.000 -1.610 0.000) 1.610 25.577 ( 0.000 0.859 0.000) 0.859 44.478 ( 0.000 0.769 0.000) 0.769 45.259 ( -0.000 -0.104 0.000) 0.104 45.267 ( -0.000 -0.387 0.000) 0.387 45.304 ( 0.000 1.291 0.000) 1.291 45.384 ( 0.000 0.474 0.000) 0.474 45.826 ( -0.000 -0.597 0.000) 0.597 46.967 ( -0.000 -0.917 0.000) 0.917 47.329 ( -0.000 -0.978 0.000) 0.978 47.533 ( 0.000 1.119 0.000) 1.119 48.284 ( 0.000 2.205 0.000) 2.205 94.541 ( -0.000 -1.738 0.000) 1.738 94.825 ( 0.000 0.980 0.000) 0.980 95.048 ( -0.000 -1.287 0.000) 1.287 95.124 ( 0.000 1.231 0.000) 1.231 95.296 ( 0.000 3.128 0.000) 3.128 95.831 ( -0.000 -3.615 0.000) 3.615 96.052 ( 0.000 1.076 0.000) 1.076 96.337 ( -0.000 -0.355 0.000) 0.355 96.517 ( 0.000 2.131 0.000) 2.131 96.636 ( 0.000 0.699 0.000) 0.699 96.745 ( 0.000 0.393 0.000) 0.393 97.198 ( -0.000 -2.494 0.000) 2.494 97.266 ( -0.000 -1.467 0.000) 1.467 97.309 ( -0.000 -0.454 0.000) 0.454 98.414 ( 0.000 2.885 0.000) 2.885 100.409 ( -0.000 -1.435 0.000) 1.435 101.513 ( 0.000 0.061 0.000) 0.061 102.632 ( -0.000 -1.002 0.000) 1.002 102.642 ( -0.000 -0.166 0.000) 0.166 102.646 ( -0.000 -0.134 0.000) 0.134 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 29.477 0.000 0.000) 29.477 2.078 ( 20.945 0.000 0.000) 20.945 2.540 ( -14.166 -0.000 0.000) 14.166 2.602 ( -2.645 -0.000 0.000) 2.645 2.634 ( -1.799 -0.000 0.000) 1.799 2.860 ( -12.859 -0.000 0.000) 12.859 3.168 ( -6.273 -0.000 0.000) 6.273 3.200 ( 18.399 0.000 0.000) 18.399 3.218 ( 7.168 0.000 0.000) 7.168 3.457 ( -3.742 -0.000 0.000) 3.742 3.529 ( 3.503 0.000 0.000) 3.503 3.558 ( 8.751 0.000 0.000) 8.751 3.750 ( -2.420 -0.000 0.000) 2.420 4.117 ( 10.317 0.000 0.000) 10.317 4.233 ( -0.831 -0.000 0.000) 0.831 4.265 ( 2.540 0.000 0.000) 2.540 4.376 ( -1.446 -0.000 0.000) 1.446 4.399 ( 9.473 0.000 0.000) 9.473 4.503 ( -2.721 -0.000 0.000) 2.721 4.758 ( 9.036 0.000 0.000) 9.036 4.842 ( -5.778 -0.000 0.000) 5.778 4.860 ( -0.868 -0.000 0.000) 0.868 5.226 ( -5.827 -0.000 0.000) 5.827 5.492 ( -9.871 -0.000 0.000) 9.871 5.753 ( -5.332 -0.000 0.000) 5.332 5.966 ( -0.126 -0.000 0.000) 0.126 5.977 ( 7.069 0.000 0.000) 7.069 6.107 ( 3.867 0.000 0.000) 3.867 6.313 ( -18.389 -0.000 0.000) 18.389 6.411 ( 3.684 0.000 0.000) 3.684 6.467 ( 0.599 0.000 0.000) 0.599 6.776 ( -0.108 -0.000 0.000) 0.108 6.930 ( 0.782 0.000 0.000) 0.782 6.943 ( 1.247 0.000 0.000) 1.247 7.055 ( -4.664 -0.000 0.000) 4.664 7.105 ( 3.662 0.000 0.000) 3.662 7.189 ( 4.209 0.000 0.000) 4.209 7.344 ( 1.039 0.000 0.000) 1.039 7.615 ( -1.219 -0.000 0.000) 1.219 7.700 ( -4.027 -0.000 0.000) 4.027 7.769 ( 5.783 0.000 0.000) 5.783 8.035 ( -7.394 -0.000 0.000) 7.394 8.121 ( -2.752 -0.000 0.000) 2.752 8.350 ( -3.784 -0.000 0.000) 3.784 8.368 ( 0.737 0.000 0.000) 0.737 8.597 ( 2.341 0.000 0.000) 2.341 8.607 ( -0.296 -0.000 0.000) 0.296 8.832 ( 0.955 0.000 0.000) 0.955 13.971 ( -6.130 -0.000 0.000) 6.130 13.999 ( -2.359 -0.000 0.000) 2.359 14.581 ( 2.276 0.000 0.000) 2.276 15.051 ( -3.263 -0.000 0.000) 3.263 16.558 ( 9.086 0.000 0.000) 9.086 16.892 ( -6.497 -0.000 0.000) 6.497 17.109 ( 11.819 0.000 0.000) 11.819 17.469 ( -5.096 -0.000 0.000) 5.096 17.934 ( 24.034 0.000 0.000) 24.034 18.109 ( 12.441 0.000 0.000) 12.441 18.407 ( -6.518 -0.000 0.000) 6.518 18.674 ( -23.856 -0.000 0.000) 23.856 18.981 ( 5.789 0.000 0.000) 5.789 19.293 ( -9.611 -0.000 0.000) 9.611 19.643 ( -6.156 -0.000 0.000) 6.156 20.137 ( 10.462 0.000 0.000) 10.462 20.798 ( -11.102 -0.000 0.000) 11.102 20.980 ( 7.976 0.000 0.000) 7.976 21.110 ( 3.741 0.000 0.000) 3.741 21.143 ( -8.579 -0.000 0.000) 8.579 21.309 ( 14.263 0.000 0.000) 14.263 21.545 ( 5.263 0.000 0.000) 5.263 21.611 ( -17.825 -0.000 0.000) 17.825 21.640 ( -12.890 -0.000 0.000) 12.890 22.763 ( 19.374 0.000 0.000) 19.374 23.022 ( -18.655 -0.000 0.000) 18.655 23.928 ( 5.707 0.000 0.000) 5.707 24.055 ( -3.116 -0.000 0.000) 3.116 24.654 ( 3.456 0.000 0.000) 3.456 24.863 ( -11.044 -0.000 0.000) 11.044 44.721 ( 6.852 0.000 0.000) 6.852 44.942 ( -7.204 -0.000 0.000) 7.204 45.311 ( 5.465 0.000 0.000) 5.465 45.336 ( -3.919 -0.000 0.000) 3.919 45.727 ( 2.289 0.000 0.000) 2.289 45.800 ( -0.325 -0.000 0.000) 0.325 47.277 ( 6.303 0.000 0.000) 6.303 47.328 ( -5.404 -0.000 0.000) 5.404 47.823 ( 10.878 0.000 0.000) 10.878 47.876 ( -9.662 -0.000 0.000) 9.662 94.786 ( -5.008 -0.000 0.000) 5.008 94.836 ( 6.392 0.000 0.000) 6.392 95.120 ( 5.136 0.000 0.000) 5.136 95.438 ( -9.160 -0.000 0.000) 9.160 95.569 ( -4.325 -0.000 0.000) 4.325 95.732 ( 2.620 0.000 0.000) 2.620 95.797 ( 10.637 0.000 0.000) 10.637 96.050 ( 1.066 0.000 0.000) 1.066 96.610 ( 4.240 0.000 0.000) 4.240 96.653 ( 0.166 0.000 0.000) 0.166 96.786 ( -5.884 -0.000 0.000) 5.884 97.028 ( 5.989 0.000 0.000) 5.989 97.034 ( -11.428 -0.000 0.000) 11.428 97.191 ( -6.128 -0.000 0.000) 6.128 99.511 ( 20.286 0.000 0.000) 20.286 99.878 ( -14.836 -0.000 0.000) 14.836 100.606 ( -5.728 -0.000 0.000) 5.728 100.894 ( -5.275 -0.000 0.000) 5.275 104.349 ( 1.515 0.000 0.000) 1.515 104.512 ( -1.905 -0.000 0.000) 1.905 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.339 -4.133 0.000) 6.752 2.261 ( -0.615 0.888 0.000) 1.080 2.383 ( 6.436 2.802 0.000) 7.020 2.574 ( -4.664 0.124 0.000) 4.665 2.604 ( -12.222 2.488 0.000) 12.472 2.718 ( 12.566 -2.506 0.000) 12.813 3.035 ( -7.789 -0.808 0.000) 7.831 3.313 ( 5.962 4.943 0.000) 7.745 3.394 ( 4.529 0.456 0.000) 4.552 3.433 ( 2.010 0.690 0.000) 2.125 3.563 ( 0.550 3.101 0.000) 3.150 3.644 ( 0.501 -0.204 0.000) 0.541 3.743 ( -1.726 -8.092 0.000) 8.274 4.188 ( -2.004 3.038 0.000) 3.640 4.226 ( 2.946 0.518 0.000) 2.991 4.284 ( -5.228 7.473 0.000) 9.121 4.312 ( -0.742 -4.250 0.000) 4.314 4.466 ( -4.282 -3.587 0.000) 5.586 4.663 ( 16.483 -0.186 0.000) 16.484 4.733 ( -6.261 0.803 0.000) 6.312 4.749 ( -8.550 3.609 0.000) 9.280 4.929 ( 8.594 -1.568 0.000) 8.736 5.127 ( -6.880 -3.920 0.000) 7.918 5.335 ( -4.896 0.850 0.000) 4.969 5.646 ( -6.748 -1.055 0.000) 6.830 5.954 ( -1.203 0.886 0.000) 1.494 6.033 ( -9.407 1.652 0.000) 9.551 6.085 ( 5.349 1.531 0.000) 5.564 6.111 ( -4.202 -1.153 0.000) 4.357 6.466 ( -2.831 -2.653 0.000) 3.880 6.513 ( 7.816 0.991 0.000) 7.879 6.801 ( 3.980 1.621 0.000) 4.297 6.913 ( -1.340 -0.858 0.000) 1.591 6.929 ( -10.789 -3.692 0.000) 11.403 7.001 ( 3.779 -0.887 0.000) 3.882 7.127 ( -1.193 0.552 0.000) 1.314 7.215 ( -2.281 0.044 0.000) 2.281 7.266 ( -8.531 0.623 0.000) 8.554 7.621 ( 2.341 1.326 0.000) 2.690 7.671 ( -0.043 -1.507 0.000) 1.508 7.911 ( 8.842 0.439 0.000) 8.853 7.977 ( 2.153 0.275 0.000) 2.171 8.112 ( 2.283 0.374 0.000) 2.313 8.366 ( 5.388 0.480 0.000) 5.409 8.376 ( -0.481 -0.992 0.000) 1.103 8.601 ( -1.930 -0.352 0.000) 1.962 8.700 ( 10.813 1.957 0.000) 10.989 8.828 ( -1.409 -0.574 0.000) 1.522 13.950 ( 3.518 -0.069 0.000) 3.519 14.033 ( 6.365 0.162 0.000) 6.367 14.595 ( -0.581 0.129 0.000) 0.595 14.974 ( -5.730 -0.425 0.000) 5.745 16.695 ( 4.333 -0.586 0.000) 4.372 16.725 ( -10.232 0.173 0.000) 10.233 17.281 ( 6.070 0.968 0.000) 6.146 17.347 ( -6.795 0.125 0.000) 6.796 18.201 ( -15.671 0.816 0.000) 15.692 18.211 ( -25.001 3.120 0.000) 25.194 18.237 ( 0.982 -1.448 0.000) 1.750 18.362 ( 21.819 -2.087 0.000) 21.919 19.036 ( -0.290 2.884 0.000) 2.899 19.162 ( -5.992 -4.834 0.000) 7.699 19.501 ( -11.296 -1.810 0.000) 11.441 20.264 ( 5.674 1.314 0.000) 5.825 20.596 ( -12.809 -2.219 0.000) 13.000 21.073 ( -0.891 -0.304 0.000) 0.941 21.096 ( 6.168 1.954 0.000) 6.470 21.227 ( 10.134 0.488 0.000) 10.146 21.286 ( -17.832 0.047 0.000) 17.832 21.471 ( -4.487 -0.469 0.000) 4.512 21.581 ( 15.899 -0.159 0.000) 15.900 21.741 ( 15.226 0.729 0.000) 15.243 22.682 ( -20.230 -0.504 0.000) 20.237 23.093 ( 18.240 0.453 0.000) 18.245 23.974 ( -5.187 0.710 0.000) 5.235 24.011 ( 2.880 -0.694 0.000) 2.963 24.726 ( -3.549 0.679 0.000) 3.613 24.803 ( 12.425 -0.487 0.000) 12.435 44.814 ( -6.922 0.659 0.000) 6.953 44.853 ( 7.748 -0.606 0.000) 7.771 45.267 ( -3.758 -0.071 0.000) 3.759 45.409 ( 5.373 0.212 0.000) 5.377 45.738 ( -0.850 -0.068 0.000) 0.853 45.775 ( -2.580 0.104 0.000) 2.582 47.227 ( -6.237 -0.344 0.000) 6.247 47.382 ( 5.794 0.347 0.000) 5.804 47.705 ( -10.086 -0.841 0.000) 10.121 48.007 ( 10.432 0.877 0.000) 10.469 94.692 ( -5.756 -0.714 0.000) 5.800 94.933 ( 4.976 1.421 0.000) 5.175 95.229 ( 5.442 -0.793 0.000) 5.499 95.291 ( -5.996 -0.133 0.000) 5.998 95.441 ( -8.260 -0.602 0.000) 8.282 95.823 ( 5.214 0.257 0.000) 5.220 95.862 ( -3.741 -0.680 0.000) 3.802 96.184 ( 14.843 2.099 0.000) 14.991 96.660 ( -0.122 -1.991 0.000) 1.994 96.683 ( 0.718 1.598 0.000) 1.752 96.713 ( 0.860 -1.631 0.000) 1.844 96.868 ( -6.648 0.769 0.000) 6.693 97.075 ( -6.541 0.480 0.000) 6.558 97.130 ( 5.087 -0.572 0.000) 5.119 99.552 ( -20.445 0.602 0.000) 20.454 99.846 ( 16.774 -0.398 0.000) 16.779 100.623 ( 6.061 0.087 0.000) 6.062 100.882 ( 4.860 0.009 0.000) 4.860 104.253 ( -12.571 -1.030 0.000) 12.613 104.398 ( -10.544 0.468 0.000) 10.554 ======================= Grid point 22 (16/100) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -12.451 2.298 0.000) 12.661 2.085 ( -13.510 9.654 0.000) 16.605 2.429 ( -9.005 -2.332 0.000) 9.302 2.437 ( -5.658 -5.618 0.000) 7.974 2.667 ( 11.161 -0.257 0.000) 11.164 2.935 ( -2.544 3.485 0.000) 4.315 2.997 ( 13.790 -2.149 0.000) 13.956 3.341 ( 1.882 3.411 0.000) 3.896 3.390 ( -2.335 3.473 0.000) 4.185 3.489 ( -4.116 4.188 0.000) 5.872 3.490 ( 1.754 4.387 0.000) 4.724 3.587 ( -2.311 0.129 0.000) 2.315 3.780 ( -4.620 -6.086 0.000) 7.640 4.051 ( -6.115 10.278 0.000) 11.960 4.145 ( -1.026 -1.448 0.000) 1.775 4.287 ( -4.453 -0.756 0.000) 4.517 4.297 ( 3.838 0.539 0.000) 3.875 4.357 ( -8.037 3.260 0.000) 8.673 4.616 ( -6.376 -0.633 0.000) 6.408 4.631 ( -0.563 -3.968 0.000) 4.008 4.865 ( 4.236 3.460 0.000) 5.470 5.064 ( 5.769 0.389 0.000) 5.782 5.092 ( -1.775 -8.895 0.000) 9.070 5.356 ( 5.491 -3.635 0.000) 6.586 5.545 ( -5.997 -1.600 0.000) 6.207 5.908 ( -2.756 1.362 0.000) 3.074 5.923 ( -4.781 -0.475 0.000) 4.805 6.042 ( -5.245 -3.942 0.000) 6.561 6.118 ( 1.008 5.217 0.000) 5.314 6.396 ( -8.275 -4.452 0.000) 9.397 6.618 ( 3.938 2.759 0.000) 4.809 6.784 ( -10.531 -8.924 0.000) 13.804 6.845 ( 0.392 2.300 0.000) 2.333 6.967 ( 7.918 -1.694 0.000) 8.098 7.062 ( 1.329 1.845 0.000) 2.274 7.092 ( -9.260 0.046 0.000) 9.260 7.095 ( 1.566 -0.151 0.000) 1.574 7.138 ( -4.669 -0.581 0.000) 4.705 7.651 ( 2.154 1.179 0.000) 2.456 7.742 ( 5.888 -2.348 0.000) 6.339 8.006 ( 6.545 4.650 0.000) 8.029 8.119 ( 9.455 -2.004 0.000) 9.665 8.179 ( 5.245 0.377 0.000) 5.259 8.362 ( -2.479 -1.431 0.000) 2.862 8.485 ( 5.675 1.440 0.000) 5.855 8.550 ( -1.992 -1.060 0.000) 2.256 8.742 ( -4.240 2.167 0.000) 4.761 8.965 ( 17.078 1.877 0.000) 17.181 14.085 ( 11.344 -0.194 0.000) 11.346 14.219 ( 15.250 0.577 0.000) 15.261 14.557 ( -3.396 0.924 0.000) 3.520 14.860 ( -8.836 -2.974 0.000) 9.323 16.475 ( -15.196 1.130 0.000) 15.238 16.766 ( -0.909 -2.107 0.000) 2.295 17.122 ( -11.615 4.405 0.000) 12.422 17.409 ( 3.553 -1.906 0.000) 4.032 17.749 ( -22.919 3.589 0.000) 23.198 17.870 ( -19.268 0.749 0.000) 19.283 18.217 ( -4.718 -3.385 0.000) 5.806 18.718 ( 13.361 -1.780 0.000) 13.479 18.937 ( -6.111 2.200 0.000) 6.495 19.163 ( -1.097 -8.754 0.000) 8.823 19.291 ( -15.319 -4.951 0.000) 16.099 20.336 ( 5.344 4.145 0.000) 6.763 20.400 ( -12.504 -3.808 0.000) 13.071 21.023 ( -5.507 -0.207 0.000) 5.511 21.036 ( -9.653 -0.194 0.000) 9.655 21.162 ( 3.798 2.468 0.000) 4.530 21.428 ( 12.714 1.045 0.000) 12.757 21.572 ( 14.555 -0.688 0.000) 14.572 21.840 ( 12.647 -0.863 0.000) 12.677 22.016 ( 16.570 1.864 0.000) 16.674 22.333 ( -20.214 -1.319 0.000) 20.257 23.381 ( 15.105 0.854 0.000) 15.129 23.850 ( -8.051 0.684 0.000) 8.080 24.054 ( 1.158 -0.597 0.000) 1.303 24.732 ( 4.894 0.786 0.000) 4.957 25.065 ( 16.060 -0.328 0.000) 16.063 44.693 ( -5.884 1.153 0.000) 5.996 44.997 ( 7.647 -0.953 0.000) 7.706 45.213 ( -2.293 -0.092 0.000) 2.295 45.476 ( 2.261 1.015 0.000) 2.478 45.690 ( -4.788 1.007 0.000) 4.893 45.733 ( -1.241 -1.246 0.000) 1.759 47.120 ( -6.336 -0.691 0.000) 6.374 47.470 ( 4.711 0.795 0.000) 4.777 47.544 ( -9.277 -1.392 0.000) 9.381 48.165 ( 8.814 1.823 0.000) 9.001 94.604 ( -5.241 -1.373 0.000) 5.418 94.967 ( 0.220 1.859 0.000) 1.872 95.181 ( -1.641 2.537 0.000) 3.022 95.308 ( -8.063 -1.593 0.000) 8.219 95.387 ( 6.578 -4.301 0.000) 7.860 95.733 ( -8.162 1.450 0.000) 8.290 95.917 ( 4.407 -0.272 0.000) 4.416 96.402 ( 12.061 7.765 0.000) 14.345 96.637 ( -1.460 1.683 0.000) 2.228 96.689 ( -0.057 -2.707 0.000) 2.708 96.812 ( 5.795 -1.814 0.000) 6.072 96.817 ( 1.058 -4.923 0.000) 5.035 96.958 ( -6.039 0.563 0.000) 6.065 97.216 ( 3.702 -1.004 0.000) 3.836 99.185 ( -20.079 1.056 0.000) 20.107 100.076 ( 9.214 0.146 0.000) 9.215 100.794 ( 12.813 -0.883 0.000) 12.843 101.080 ( 17.995 0.795 0.000) 18.013 103.948 ( -24.094 -3.719 0.000) 24.379 104.142 ( -19.094 -1.347 0.000) 19.141 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -17.864 9.306 0.000) 20.143 1.699 ( -15.651 16.240 0.000) 22.554 2.288 ( -13.414 -12.128 0.000) 18.084 2.468 ( -0.670 -11.237 0.000) 11.257 2.723 ( -4.931 12.599 0.000) 13.530 2.770 ( -2.744 10.271 0.000) 10.631 3.200 ( 6.478 1.114 0.000) 6.573 3.264 ( -7.767 0.622 0.000) 7.792 3.286 ( -11.487 4.475 0.000) 12.328 3.344 ( -5.763 4.838 0.000) 7.525 3.378 ( 4.067 3.927 0.000) 5.654 3.704 ( 10.703 2.111 0.000) 10.909 3.777 ( 5.637 -1.387 0.000) 5.805 3.958 ( -1.325 2.727 0.000) 3.032 4.151 ( -3.468 -0.427 0.000) 3.495 4.201 ( -5.533 3.422 0.000) 6.506 4.229 ( 0.935 -1.702 0.000) 1.942 4.355 ( 2.977 -0.628 0.000) 3.043 4.527 ( -5.553 -2.389 0.000) 6.045 4.748 ( 7.736 -1.944 0.000) 7.977 4.807 ( -3.385 4.964 0.000) 6.009 5.142 ( 4.315 0.418 0.000) 4.335 5.189 ( 2.161 -10.133 0.000) 10.361 5.469 ( -3.330 -0.078 0.000) 3.331 5.525 ( 6.213 -5.751 0.000) 8.466 5.816 ( -7.994 -1.786 0.000) 8.191 5.838 ( -4.144 0.552 0.000) 4.180 6.015 ( -4.514 -8.336 0.000) 9.480 6.022 ( -4.022 6.448 0.000) 7.600 6.299 ( -6.468 -4.600 0.000) 7.937 6.571 ( -7.256 -0.871 0.000) 7.308 6.728 ( -5.495 -8.096 0.000) 9.785 6.757 ( -8.687 -0.032 0.000) 8.687 6.958 ( -6.546 -0.996 0.000) 6.622 7.060 ( 3.194 2.207 0.000) 3.882 7.154 ( 6.519 -0.312 0.000) 6.526 7.163 ( 5.594 1.513 0.000) 5.795 7.193 ( 13.808 -0.169 0.000) 13.809 7.674 ( 0.945 -0.076 0.000) 0.948 7.889 ( 7.883 -1.784 0.000) 8.082 8.062 ( 5.058 6.295 0.000) 8.075 8.276 ( 5.516 -0.060 0.000) 5.516 8.289 ( 7.040 -2.414 0.000) 7.442 8.307 ( -5.665 -1.885 0.000) 5.970 8.411 ( -6.689 0.918 0.000) 6.752 8.613 ( -7.949 2.004 0.000) 8.198 8.660 ( 7.831 0.215 0.000) 7.834 9.264 ( 19.376 4.531 0.000) 19.899 14.335 ( 16.611 -0.116 0.000) 16.612 14.456 ( -6.416 2.111 0.000) 6.754 14.550 ( 22.740 0.472 0.000) 22.745 14.728 ( -10.946 -6.677 0.000) 12.821 16.169 ( -18.973 0.541 0.000) 18.981 16.671 ( -12.024 -1.240 0.000) 12.087 16.869 ( -11.731 4.870 0.000) 12.702 17.372 ( -15.926 3.790 0.000) 16.371 17.457 ( -0.527 -1.425 0.000) 1.519 17.565 ( -13.076 0.922 0.000) 13.109 18.183 ( -3.036 -6.613 0.000) 7.277 18.726 ( -15.488 -6.620 0.000) 16.843 18.840 ( -1.418 3.052 0.000) 3.365 19.083 ( -14.156 -7.322 0.000) 15.937 19.348 ( 11.231 -9.297 0.000) 14.580 20.218 ( -12.963 -4.593 0.000) 13.753 20.369 ( 4.260 7.747 0.000) 8.841 20.928 ( -4.927 -0.470 0.000) 4.949 20.974 ( 2.298 -0.144 0.000) 2.302 21.192 ( 2.151 2.099 0.000) 3.006 21.627 ( 10.608 1.211 0.000) 10.677 21.899 ( 19.871 -0.655 0.000) 19.881 21.963 ( -11.869 -0.850 0.000) 11.899 22.069 ( 0.474 -2.409 0.000) 2.455 22.265 ( 13.930 2.957 0.000) 14.241 23.599 ( 10.561 0.982 0.000) 10.607 23.686 ( -9.624 0.777 0.000) 9.655 24.064 ( -0.427 -0.580 0.000) 0.720 24.862 ( 9.407 0.198 0.000) 9.409 25.337 ( 14.012 0.115 0.000) 14.012 44.593 ( -4.183 1.340 0.000) 4.392 45.129 ( 6.207 -0.937 0.000) 6.278 45.192 ( 0.095 0.168 0.000) 0.193 45.464 ( -1.997 1.026 0.000) 2.245 45.573 ( -7.020 1.252 0.000) 7.131 45.752 ( 1.684 -1.136 0.000) 2.031 47.024 ( -5.318 -1.056 0.000) 5.422 47.412 ( -7.206 -1.633 0.000) 7.388 47.531 ( 3.237 1.271 0.000) 3.478 48.278 ( 6.316 2.662 0.000) 6.854 94.537 ( -3.933 -1.871 0.000) 4.355 94.922 ( -2.718 1.393 0.000) 3.055 95.165 ( 1.822 3.164 0.000) 3.651 95.188 ( -7.595 -2.150 0.000) 7.893 95.538 ( 5.447 -5.437 0.000) 7.696 95.574 ( -7.531 2.557 0.000) 7.953 95.988 ( 3.773 0.182 0.000) 3.777 96.444 ( 1.412 6.536 0.000) 6.687 96.607 ( -0.037 2.332 0.000) 2.333 96.679 ( -0.600 1.239 0.000) 1.376 96.856 ( -4.632 0.656 0.000) 4.678 96.936 ( 5.780 -2.677 0.000) 6.370 96.997 ( 8.434 -9.230 0.000) 12.504 97.274 ( 1.681 -1.326 0.000) 2.141 98.848 ( -16.304 2.011 0.000) 16.428 100.194 ( 5.823 0.808 0.000) 5.879 101.065 ( 15.801 -2.185 0.000) 15.951 101.474 ( 27.694 1.841 0.000) 27.755 103.500 ( -31.647 -6.527 0.000) 32.313 103.756 ( -27.236 -3.130 0.000) 27.415 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -25.920 13.052 0.000) 29.020 1.285 ( -11.451 21.695 0.000) 24.532 2.177 ( -7.009 4.218 0.000) 8.180 2.311 ( -10.926 19.260 0.000) 22.144 2.588 ( 1.049 -13.863 0.000) 13.903 2.816 ( 4.308 -2.238 0.000) 4.855 2.994 ( -10.210 5.905 0.000) 11.795 3.104 ( -8.697 -0.007 0.000) 8.697 3.232 ( -3.434 2.740 0.000) 4.393 3.319 ( 4.269 2.180 0.000) 4.793 3.415 ( 3.793 4.674 0.000) 6.020 3.857 ( 8.584 3.301 0.000) 9.197 3.874 ( -3.679 -0.617 0.000) 3.731 3.966 ( 8.405 2.778 0.000) 8.852 4.054 ( -4.219 3.051 0.000) 5.206 4.124 ( 0.129 -0.316 0.000) 0.342 4.317 ( 3.737 -4.036 0.000) 5.500 4.412 ( 2.255 -1.120 0.000) 2.517 4.461 ( -4.776 -3.460 0.000) 5.898 4.671 ( -4.613 8.356 0.000) 9.545 4.846 ( 2.416 3.640 0.000) 4.369 5.223 ( 3.887 -2.648 0.000) 4.703 5.405 ( 12.091 -11.637 0.000) 16.781 5.426 ( -0.354 3.379 0.000) 3.397 5.579 ( -1.982 0.638 0.000) 2.083 5.726 ( -5.413 -6.978 0.000) 8.832 5.734 ( -7.955 0.014 0.000) 7.955 6.020 ( -4.532 -10.769 0.000) 11.683 6.020 ( 7.747 -2.470 0.000) 8.132 6.264 ( -0.406 -1.770 0.000) 1.816 6.417 ( -10.286 -1.395 0.000) 10.380 6.573 ( -12.811 -2.095 0.000) 12.981 6.716 ( -3.648 -5.329 0.000) 6.458 6.893 ( -2.588 -3.093 0.000) 4.033 7.100 ( 3.207 2.656 0.000) 4.164 7.243 ( 5.616 2.059 0.000) 5.982 7.314 ( 9.210 -1.026 0.000) 9.267 7.438 ( 13.486 1.071 0.000) 13.528 7.683 ( -0.611 -1.053 0.000) 1.217 8.006 ( 1.323 -1.271 0.000) 1.835 8.069 ( 2.072 5.435 0.000) 5.816 8.201 ( -6.050 -1.310 0.000) 6.190 8.256 ( -6.804 2.800 0.000) 7.358 8.347 ( 0.103 0.928 0.000) 0.933 8.425 ( 4.245 -1.742 0.000) 4.589 8.462 ( -4.891 0.907 0.000) 4.975 8.769 ( 4.525 0.300 0.000) 4.535 9.536 ( 15.700 4.928 0.000) 16.456 14.320 ( -5.985 1.832 0.000) 6.259 14.591 ( -12.006 -7.191 0.000) 13.995 14.642 ( 17.151 0.103 0.000) 17.151 14.976 ( 24.265 -0.494 0.000) 24.270 15.820 ( -19.266 -0.118 0.000) 19.266 16.388 ( -19.433 -0.185 0.000) 19.433 16.655 ( -6.711 5.337 0.000) 8.574 17.130 ( -7.829 3.919 0.000) 8.755 17.337 ( -7.077 2.136 0.000) 7.392 17.497 ( -0.488 -1.612 0.000) 1.684 18.250 ( 1.415 -11.194 0.000) 11.283 18.447 ( -21.260 -6.913 0.000) 22.355 18.793 ( -1.042 2.521 0.000) 2.728 18.937 ( -9.644 -7.287 0.000) 12.088 19.624 ( 10.653 -7.359 0.000) 12.947 20.025 ( -13.261 -4.324 0.000) 13.948 20.342 ( 2.132 11.019 0.000) 11.223 20.870 ( -2.282 -0.682 0.000) 2.382 21.097 ( 10.382 -0.160 0.000) 10.383 21.208 ( 1.933 1.339 0.000) 2.351 21.672 ( -17.951 -2.164 0.000) 18.081 21.763 ( 5.885 1.155 0.000) 5.997 22.165 ( 3.870 -1.299 0.000) 4.082 22.214 ( 13.872 -0.501 0.000) 13.881 22.439 ( 8.964 3.302 0.000) 9.552 23.515 ( -8.319 0.907 0.000) 8.368 23.732 ( 5.509 0.816 0.000) 5.570 24.056 ( -0.846 -0.518 0.000) 0.992 25.020 ( 7.334 -0.900 0.000) 7.389 25.530 ( 7.987 0.620 0.000) 8.011 44.526 ( -2.108 1.297 0.000) 2.475 45.214 ( 2.665 0.410 0.000) 2.696 45.222 ( 3.457 -0.712 0.000) 3.530 45.416 ( -2.081 0.567 0.000) 2.157 45.435 ( -6.929 1.532 0.000) 7.096 45.793 ( 1.572 -0.769 0.000) 1.750 46.960 ( -3.056 -1.360 0.000) 3.345 47.327 ( -4.004 -1.642 0.000) 4.328 47.560 ( 1.602 1.623 0.000) 2.281 48.336 ( 3.266 3.205 0.000) 4.576 94.502 ( -2.107 -2.184 0.000) 3.035 94.870 ( -1.700 1.157 0.000) 2.057 95.082 ( -6.482 -2.187 0.000) 6.841 95.168 ( 1.385 2.945 0.000) 3.254 95.438 ( -4.620 3.414 0.000) 5.744 95.665 ( 3.072 -5.928 0.000) 6.677 96.048 ( 3.618 1.002 0.000) 3.754 96.378 ( -3.481 2.239 0.000) 4.139 96.589 ( 0.439 2.974 0.000) 3.006 96.662 ( -0.030 1.339 0.000) 1.339 96.785 ( -2.730 0.679 0.000) 2.814 97.057 ( 4.455 -3.655 0.000) 5.763 97.185 ( 3.707 -6.301 0.000) 7.311 97.297 ( -0.201 -1.166 0.000) 1.183 98.596 ( -9.178 3.523 0.000) 9.831 100.291 ( 5.974 0.090 0.000) 5.975 101.353 ( 14.371 -1.070 0.000) 14.411 102.001 ( 33.720 1.088 0.000) 33.737 102.985 ( -32.238 -6.088 0.000) 32.808 103.244 ( -34.371 -3.089 0.000) 34.510 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 18.810 0.000) 18.810 0.958 ( 0.000 25.614 0.000) 25.614 1.802 ( 0.000 46.886 0.000) 46.886 2.263 ( -0.000 -15.405 0.000) 15.405 2.728 ( -0.000 -13.979 0.000) 13.979 2.847 ( 0.000 5.616 0.000) 5.616 2.880 ( -0.000 -0.265 0.000) 0.265 3.030 ( -0.000 -3.553 0.000) 3.553 3.175 ( 0.000 2.404 0.000) 2.404 3.336 ( 0.000 1.897 0.000) 1.897 3.412 ( 0.000 5.211 0.000) 5.211 3.807 ( 0.000 2.891 0.000) 2.891 3.901 ( 0.000 6.796 0.000) 6.796 3.984 ( 0.000 1.493 0.000) 1.493 3.989 ( 0.000 5.120 0.000) 5.120 4.215 ( -0.000 -7.649 0.000) 7.649 4.389 ( -0.000 -1.679 0.000) 1.679 4.443 ( -0.000 -0.657 0.000) 0.657 4.446 ( -0.000 -5.177 0.000) 5.177 4.523 ( 0.000 9.816 0.000) 9.816 4.822 ( 0.000 4.138 0.000) 4.138 5.305 ( -0.000 -5.031 0.000) 5.031 5.372 ( 0.000 5.736 0.000) 5.736 5.592 ( -0.000 -0.266 0.000) 0.266 5.596 ( 0.000 2.292 0.000) 2.292 5.605 ( -0.000 -0.059 0.000) 0.059 5.834 ( -0.000 -18.995 0.000) 18.995 6.069 ( -0.000 -11.360 0.000) 11.360 6.195 ( -0.000 -4.081 0.000) 4.081 6.295 ( -0.000 -3.968 0.000) 3.968 6.357 ( -0.000 -0.979 0.000) 0.979 6.373 ( -0.000 -3.223 0.000) 3.223 6.699 ( -0.000 -0.169 0.000) 0.169 6.913 ( -0.000 -5.259 0.000) 5.259 7.106 ( 0.000 2.753 0.000) 2.753 7.306 ( -0.000 -0.459 0.000) 0.459 7.430 ( -0.000 -3.418 0.000) 3.418 7.591 ( 0.000 2.441 0.000) 2.441 7.670 ( -0.000 -0.070 0.000) 0.070 7.935 ( -0.000 -1.805 0.000) 1.805 8.061 ( 0.000 1.912 0.000) 1.912 8.128 ( 0.000 8.080 0.000) 8.080 8.197 ( 0.000 1.601 0.000) 1.601 8.250 ( 0.000 4.350 0.000) 4.350 8.461 ( -0.000 -1.378 0.000) 1.378 8.479 ( -0.000 -1.752 0.000) 1.752 8.806 ( 0.000 0.326 0.000) 0.326 9.667 ( 0.000 2.667 0.000) 2.667 14.248 ( 0.000 1.176 0.000) 1.176 14.487 ( -0.000 -2.707 0.000) 2.707 14.830 ( 0.000 0.244 0.000) 0.244 15.263 ( -0.000 -1.611 0.000) 1.611 15.610 ( -0.000 -0.457 0.000) 0.457 16.148 ( 0.000 1.052 0.000) 1.052 16.550 ( 0.000 5.206 0.000) 5.206 17.027 ( 0.000 3.921 0.000) 3.921 17.254 ( 0.000 2.105 0.000) 2.105 17.506 ( -0.000 -1.392 0.000) 1.392 18.231 ( -0.000 -0.806 0.000) 0.806 18.394 ( -0.000 -14.843 0.000) 14.843 18.762 ( 0.000 2.221 0.000) 2.221 18.898 ( -0.000 -5.560 0.000) 5.560 19.839 ( -0.000 -6.211 0.000) 6.211 19.862 ( -0.000 -2.193 0.000) 2.193 20.252 ( 0.000 13.016 0.000) 13.016 20.856 ( -0.000 -0.645 0.000) 0.645 21.186 ( 0.000 1.114 0.000) 1.114 21.314 ( -0.000 -0.111 0.000) 0.111 21.446 ( -0.000 -2.961 0.000) 2.961 21.806 ( 0.000 0.978 0.000) 0.978 22.209 ( -0.000 -0.682 0.000) 0.682 22.341 ( 0.000 0.109 0.000) 0.109 22.503 ( 0.000 2.631 0.000) 2.631 23.422 ( 0.000 1.023 0.000) 1.023 23.774 ( 0.000 0.624 0.000) 0.624 24.052 ( -0.000 -0.470 0.000) 0.470 25.103 ( -0.000 -1.788 0.000) 1.788 25.594 ( 0.000 0.928 0.000) 0.928 44.496 ( 0.000 1.198 0.000) 1.198 45.258 ( 0.000 0.005 0.000) 0.005 45.258 ( -0.000 -0.574 0.000) 0.574 45.335 ( 0.000 2.019 0.000) 2.019 45.393 ( 0.000 0.448 0.000) 0.448 45.814 ( -0.000 -0.729 0.000) 0.729 46.945 ( -0.000 -1.425 0.000) 1.425 47.306 ( -0.000 -1.541 0.000) 1.541 47.559 ( 0.000 1.696 0.000) 1.696 48.336 ( 0.000 3.299 0.000) 3.299 94.504 ( -0.000 -2.301 0.000) 2.301 94.845 ( 0.000 1.141 0.000) 1.141 95.025 ( -0.000 -1.113 0.000) 1.113 95.157 ( 0.000 2.425 0.000) 2.425 95.362 ( 0.000 3.957 0.000) 3.957 95.745 ( -0.000 -5.717 0.000) 5.717 96.077 ( 0.000 1.640 0.000) 1.640 96.329 ( -0.000 -0.558 0.000) 0.558 96.565 ( 0.000 3.149 0.000) 3.149 96.653 ( 0.000 1.060 0.000) 1.060 96.754 ( 0.000 0.616 0.000) 0.616 97.138 ( -0.000 -4.075 0.000) 4.075 97.234 ( -0.000 -2.011 0.000) 2.011 97.299 ( -0.000 -0.712 0.000) 0.712 98.480 ( 0.000 4.198 0.000) 4.198 100.374 ( -0.000 -2.253 0.000) 2.253 101.514 ( 0.000 0.091 0.000) 0.091 102.610 ( -0.000 -1.372 0.000) 1.372 102.639 ( -0.000 -0.231 0.000) 0.231 102.643 ( -0.000 -0.227 0.000) 0.227 ======================= Grid point 30 (20/100) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -9.347 -0.000 0.000) 9.347 2.199 ( -5.696 -0.000 0.000) 5.696 2.362 ( -14.018 -0.000 0.000) 14.018 2.409 ( -14.308 -0.000 0.000) 14.308 2.664 ( 11.171 0.000 0.000) 11.171 2.968 ( 3.973 0.000 0.000) 3.973 2.976 ( 14.818 0.000 0.000) 14.818 3.346 ( -5.096 -0.000 0.000) 5.096 3.439 ( 0.759 0.000 0.000) 0.759 3.545 ( 9.991 0.000 0.000) 9.991 3.579 ( -8.414 -0.000 0.000) 8.414 3.581 ( -4.805 -0.000 0.000) 4.805 3.669 ( 2.237 0.000 0.000) 2.237 4.129 ( -4.389 -0.000 0.000) 4.389 4.203 ( -4.591 -0.000 0.000) 4.591 4.277 ( -1.656 -0.000 0.000) 1.656 4.322 ( 4.398 0.000 0.000) 4.398 4.359 ( -5.251 -0.000 0.000) 5.251 4.568 ( -9.888 -0.000 0.000) 9.888 4.611 ( -7.316 -0.000 0.000) 7.316 4.920 ( 10.559 0.000 0.000) 10.559 4.980 ( -6.611 -0.000 0.000) 6.611 5.065 ( 6.727 0.000 0.000) 6.727 5.325 ( 3.586 0.000 0.000) 3.586 5.530 ( -5.426 -0.000 0.000) 5.426 5.919 ( -4.228 -0.000 0.000) 4.228 5.921 ( -3.172 -0.000 0.000) 3.172 6.004 ( -7.760 -0.000 0.000) 7.760 6.179 ( 4.270 0.000 0.000) 4.270 6.355 ( -7.910 -0.000 0.000) 7.910 6.665 ( 6.797 0.000 0.000) 6.797 6.669 ( -16.090 -0.000 0.000) 16.090 6.871 ( -3.188 -0.000 0.000) 3.188 6.945 ( 11.133 0.000 0.000) 11.133 7.086 ( -2.229 -0.000 0.000) 2.229 7.086 ( 5.684 0.000 0.000) 5.684 7.092 ( -10.037 -0.000 0.000) 10.037 7.133 ( -4.535 -0.000 0.000) 4.535 7.670 ( 0.923 0.000 0.000) 0.923 7.713 ( 6.819 0.000 0.000) 6.819 8.067 ( 7.221 0.000 0.000) 7.221 8.082 ( 9.170 0.000 0.000) 9.170 8.183 ( 5.087 0.000 0.000) 5.087 8.349 ( -2.418 -0.000 0.000) 2.418 8.506 ( 9.209 0.000 0.000) 9.209 8.533 ( -5.506 -0.000 0.000) 5.506 8.763 ( -5.232 -0.000 0.000) 5.232 8.982 ( 18.684 0.000 0.000) 18.684 14.083 ( 11.372 0.000 0.000) 11.372 14.225 ( 15.259 0.000 0.000) 15.259 14.566 ( -2.780 -0.000 0.000) 2.780 14.833 ( -10.123 -0.000 0.000) 10.123 16.485 ( -15.654 -0.000 0.000) 15.654 16.746 ( -0.386 -0.000 0.000) 0.386 17.165 ( -12.026 -0.000 0.000) 12.026 17.391 ( 4.061 0.000 0.000) 4.061 17.783 ( -23.477 -0.000 0.000) 23.477 17.878 ( -19.272 -0.000 0.000) 19.272 18.186 ( -5.284 -0.000 0.000) 5.284 18.702 ( 13.423 0.000 0.000) 13.423 19.007 ( -6.308 -0.000 0.000) 6.308 19.031 ( -1.805 -0.000 0.000) 1.805 19.245 ( -15.847 -0.000 0.000) 15.847 20.367 ( -11.953 -0.000 0.000) 11.953 20.373 ( 6.057 0.000 0.000) 6.057 21.022 ( -5.535 -0.000 0.000) 5.535 21.035 ( -9.653 -0.000 0.000) 9.653 21.185 ( 3.216 0.000 0.000) 3.216 21.437 ( 12.651 0.000 0.000) 12.651 21.565 ( 14.757 0.000 0.000) 14.757 21.832 ( 12.564 0.000 0.000) 12.564 22.033 ( 16.785 0.000 0.000) 16.785 22.321 ( -20.480 -0.000 0.000) 20.480 23.389 ( 15.079 0.000 0.000) 15.079 23.856 ( -8.140 -0.000 0.000) 8.140 24.048 ( 1.274 0.000 0.000) 1.274 24.740 ( 4.633 0.000 0.000) 4.633 25.062 ( 16.298 0.000 0.000) 16.298 44.704 ( -5.952 -0.000 0.000) 5.952 44.988 ( 7.773 0.000 0.000) 7.773 45.212 ( -2.185 -0.000 0.000) 2.185 45.486 ( 2.341 0.000 0.000) 2.341 45.704 ( -5.332 -0.000 0.000) 5.332 45.717 ( -0.694 -0.000 0.000) 0.694 47.114 ( -6.376 -0.000 0.000) 6.376 47.477 ( 4.788 0.000 0.000) 4.788 47.531 ( -9.184 -0.000 0.000) 9.184 48.182 ( 8.895 0.000 0.000) 8.895 94.591 ( -5.223 -0.000 0.000) 5.223 94.985 ( -0.417 -0.000 0.000) 0.417 95.211 ( -1.316 -0.000 0.000) 1.316 95.294 ( -8.034 -0.000 0.000) 8.034 95.340 ( 6.442 0.000 0.000) 6.442 95.746 ( -7.846 -0.000 0.000) 7.846 95.915 ( 4.658 0.000 0.000) 4.658 96.499 ( 18.010 0.000 0.000) 18.010 96.624 ( -2.882 -0.000 0.000) 2.882 96.654 ( -1.505 -0.000 0.000) 1.505 96.787 ( -2.727 -0.000 0.000) 2.727 96.794 ( 5.776 0.000 0.000) 5.776 96.963 ( -6.101 -0.000 0.000) 6.101 97.206 ( 3.676 0.000 0.000) 3.676 99.195 ( -19.893 -0.000 0.000) 19.893 100.077 ( 9.566 0.000 0.000) 9.566 100.785 ( 12.099 0.000 0.000) 12.099 101.088 ( 18.561 0.000 0.000) 18.561 103.916 ( -24.608 -0.000 0.000) 24.608 104.130 ( -19.885 -0.000 0.000) 19.885 ======================= Grid point 32 (21/100) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -10.654 6.097 0.000) 12.275 1.983 ( -10.060 15.298 0.000) 18.309 2.099 ( -21.403 -7.743 0.000) 22.760 2.248 ( -6.006 -13.358 0.000) 14.646 2.722 ( -0.133 -0.653 0.000) 0.667 3.015 ( -4.976 5.298 0.000) 7.269 3.211 ( 11.850 0.340 0.000) 11.854 3.303 ( 5.129 2.593 0.000) 5.747 3.354 ( -14.419 2.371 0.000) 14.613 3.409 ( -7.899 2.102 0.000) 8.174 3.446 ( -0.695 2.558 0.000) 2.650 3.745 ( 12.298 1.959 0.000) 12.453 3.762 ( 5.997 -0.345 0.000) 6.007 4.099 ( -0.716 12.004 0.000) 12.025 4.099 ( -0.374 -3.190 0.000) 3.212 4.230 ( -3.115 0.625 0.000) 3.177 4.249 ( -6.563 2.337 0.000) 6.967 4.338 ( -0.656 -2.797 0.000) 2.873 4.493 ( -6.493 -1.062 0.000) 6.579 4.618 ( 8.715 -10.475 0.000) 13.626 4.880 ( -2.775 2.755 0.000) 3.911 5.054 ( 2.398 -3.700 0.000) 4.409 5.146 ( 2.706 0.098 0.000) 2.708 5.448 ( 8.188 -2.343 0.000) 8.516 5.467 ( -1.600 -0.116 0.000) 1.604 5.807 ( -10.843 1.096 0.000) 10.898 5.846 ( -5.094 0.244 0.000) 5.100 5.883 ( -6.137 -5.709 0.000) 8.382 6.176 ( -2.308 9.558 0.000) 9.833 6.247 ( -4.108 -1.399 0.000) 4.339 6.435 ( -12.609 -10.441 0.000) 16.370 6.684 ( -4.201 0.295 0.000) 4.211 6.751 ( -10.415 -0.345 0.000) 10.420 6.947 ( -6.531 -0.320 0.000) 6.539 7.091 ( 3.094 1.040 0.000) 3.264 7.151 ( 7.032 -0.048 0.000) 7.032 7.175 ( 10.545 -0.030 0.000) 10.545 7.195 ( 10.294 0.351 0.000) 10.300 7.680 ( 0.336 0.393 0.000) 0.517 7.861 ( 8.865 -1.039 0.000) 8.926 8.159 ( 4.980 4.305 0.000) 6.582 8.241 ( 6.541 -2.859 0.000) 7.138 8.275 ( 4.097 0.046 0.000) 4.097 8.283 ( -4.564 -0.774 0.000) 4.630 8.422 ( -6.018 0.334 0.000) 6.027 8.642 ( -7.927 0.926 0.000) 7.981 8.662 ( 7.992 0.018 0.000) 7.992 9.319 ( 19.508 1.574 0.000) 19.571 14.334 ( 16.756 -0.042 0.000) 16.756 14.494 ( -4.950 1.741 0.000) 5.247 14.556 ( 22.284 0.184 0.000) 22.285 14.637 ( -12.711 -3.195 0.000) 13.107 16.175 ( -19.596 0.191 0.000) 19.597 16.654 ( -11.033 -0.542 0.000) 11.046 16.935 ( -12.199 2.101 0.000) 12.378 17.422 ( -16.421 1.537 0.000) 16.492 17.437 ( 1.082 -0.627 0.000) 1.251 17.580 ( -13.590 0.556 0.000) 13.601 18.099 ( -4.737 -2.521 0.000) 5.366 18.647 ( -15.913 -2.192 0.000) 16.064 18.902 ( -2.982 3.004 0.000) 4.233 18.989 ( -13.950 -2.849 0.000) 14.238 19.207 ( 14.323 -5.394 0.000) 15.305 20.168 ( -11.902 -1.288 0.000) 11.971 20.463 ( 5.192 2.705 0.000) 5.855 20.921 ( -5.153 -0.214 0.000) 5.157 20.973 ( 2.530 0.020 0.000) 2.530 21.219 ( 1.325 0.781 0.000) 1.538 21.643 ( 10.513 0.491 0.000) 10.525 21.891 ( 20.086 -0.194 0.000) 20.087 21.964 ( -16.213 0.756 0.000) 16.230 22.023 ( 4.579 -2.192 0.000) 5.077 22.302 ( 14.008 1.114 0.000) 14.053 23.612 ( 10.409 0.404 0.000) 10.417 23.697 ( -9.678 0.315 0.000) 9.683 24.057 ( -0.306 -0.241 0.000) 0.390 24.865 ( 8.784 0.133 0.000) 8.785 25.338 ( 14.325 0.022 0.000) 14.325 44.610 ( -4.343 0.535 0.000) 4.375 45.117 ( 6.476 -0.365 0.000) 6.486 45.195 ( 0.309 0.075 0.000) 0.318 45.477 ( -2.595 0.332 0.000) 2.616 45.591 ( -6.976 0.629 0.000) 7.004 45.737 ( 2.292 -0.490 0.000) 2.344 47.010 ( -5.434 -0.422 0.000) 5.451 47.391 ( -7.057 -0.659 0.000) 7.088 47.547 ( 3.371 0.497 0.000) 3.407 48.312 ( 6.431 1.036 0.000) 6.514 94.514 ( -3.893 -0.692 0.000) 3.954 94.940 ( -3.266 0.521 0.000) 3.308 95.163 ( -7.262 -0.692 0.000) 7.295 95.217 ( 2.011 2.109 0.000) 2.914 95.457 ( 5.131 -3.000 0.000) 5.944 95.606 ( -7.230 0.962 0.000) 7.293 95.991 ( 4.234 0.106 0.000) 4.236 96.529 ( -5.087 2.740 0.000) 5.778 96.640 ( 0.261 1.094 0.000) 1.124 96.697 ( 0.667 0.539 0.000) 0.858 96.866 ( -4.581 0.366 0.000) 4.595 96.878 ( 12.870 -3.743 0.000) 13.404 96.898 ( 5.149 -1.371 0.000) 5.328 97.257 ( 1.823 -0.515 0.000) 1.895 98.877 ( -15.514 0.917 0.000) 15.541 100.200 ( 5.390 0.091 0.000) 5.391 101.040 ( 16.271 -0.683 0.000) 16.286 101.497 ( 27.574 0.695 0.000) 27.583 103.429 ( -30.752 -1.786 0.000) 30.804 103.718 ( -27.394 -1.138 0.000) 27.417 ======================= Grid point 33 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -20.872 13.892 0.000) 25.072 1.663 ( -7.220 20.540 0.000) 21.772 1.939 ( -10.048 -15.335 0.000) 18.334 2.321 ( -1.548 -16.207 0.000) 16.281 2.701 ( -3.674 4.338 0.000) 5.685 2.853 ( -0.964 6.461 0.000) 6.533 3.088 ( -10.679 4.143 0.000) 11.454 3.224 ( -3.410 13.611 0.000) 14.032 3.277 ( -4.400 4.543 0.000) 6.325 3.370 ( 6.936 3.062 0.000) 7.582 3.485 ( 4.657 2.755 0.000) 5.411 3.858 ( 2.401 -0.498 0.000) 2.452 3.910 ( 9.055 3.023 0.000) 9.546 4.031 ( 4.107 6.029 0.000) 7.295 4.102 ( -2.881 1.553 0.000) 3.273 4.140 ( -3.665 1.409 0.000) 3.926 4.224 ( 1.899 -5.640 0.000) 5.951 4.383 ( 1.753 -3.073 0.000) 3.538 4.406 ( -5.253 -2.314 0.000) 5.740 4.822 ( 0.820 7.011 0.000) 7.058 4.875 ( 6.909 -2.437 0.000) 7.327 5.125 ( 2.261 -14.193 0.000) 14.372 5.179 ( 0.803 -2.013 0.000) 2.167 5.469 ( 2.247 1.404 0.000) 2.649 5.592 ( 4.453 0.492 0.000) 4.481 5.628 ( -8.966 -4.675 0.000) 10.112 5.738 ( -7.126 0.267 0.000) 7.131 5.842 ( -5.760 -7.925 0.000) 9.797 6.036 ( -0.028 4.359 0.000) 4.359 6.240 ( 2.036 -0.912 0.000) 2.231 6.342 ( -10.601 -7.120 0.000) 12.770 6.544 ( -13.111 -1.062 0.000) 13.154 6.622 ( -2.508 -3.749 0.000) 4.511 6.867 ( -3.005 -0.423 0.000) 3.034 7.140 ( 3.225 1.738 0.000) 3.663 7.270 ( 4.435 1.019 0.000) 4.551 7.310 ( 9.052 0.174 0.000) 9.053 7.452 ( 14.753 0.468 0.000) 14.760 7.675 ( -0.473 0.002 0.000) 0.473 7.984 ( 0.379 -0.978 0.000) 1.049 8.147 ( -2.163 3.130 0.000) 3.804 8.192 ( -1.805 0.019 0.000) 1.805 8.298 ( -1.081 1.773 0.000) 2.077 8.353 ( 2.887 -0.249 0.000) 2.897 8.396 ( 3.032 -1.390 0.000) 3.335 8.482 ( -8.363 1.166 0.000) 8.444 8.772 ( 4.484 0.120 0.000) 4.486 9.601 ( 13.774 2.463 0.000) 13.993 14.359 ( -6.849 2.526 0.000) 7.300 14.488 ( -8.226 -4.676 0.000) 9.462 14.643 ( 17.356 0.069 0.000) 17.356 14.969 ( 23.106 -0.315 0.000) 23.108 15.818 ( -19.677 -0.072 0.000) 19.677 16.385 ( -18.237 -0.120 0.000) 18.237 16.737 ( -6.976 3.455 0.000) 7.785 17.190 ( -7.982 2.547 0.000) 8.379 17.379 ( -6.096 2.441 0.000) 6.567 17.467 ( -0.452 -1.632 0.000) 1.694 18.088 ( -1.002 -6.494 0.000) 6.571 18.366 ( -16.100 -2.651 0.000) 16.317 18.826 ( -8.270 -4.784 0.000) 9.554 18.840 ( -1.335 2.526 0.000) 2.857 19.503 ( 13.048 -5.582 0.000) 14.191 19.970 ( -12.110 -2.029 0.000) 12.278 20.495 ( 2.744 6.023 0.000) 6.619 20.858 ( -2.453 -0.608 0.000) 2.528 21.099 ( 10.927 0.221 0.000) 10.929 21.227 ( 0.791 0.744 0.000) 1.085 21.645 ( -18.034 -0.897 0.000) 18.056 21.782 ( 5.843 0.881 0.000) 5.909 22.133 ( 3.779 -1.858 0.000) 4.211 22.209 ( 14.479 -0.123 0.000) 14.480 22.487 ( 8.312 1.946 0.000) 8.537 23.529 ( -8.218 0.591 0.000) 8.239 23.745 ( 5.321 0.594 0.000) 5.354 24.048 ( -0.769 -0.350 0.000) 0.845 25.009 ( 6.614 -0.363 0.000) 6.624 25.538 ( 8.203 0.282 0.000) 8.207 44.546 ( -2.253 0.860 0.000) 2.412 45.211 ( 3.704 -0.453 0.000) 3.732 45.221 ( 2.687 0.273 0.000) 2.701 45.423 ( -2.547 0.193 0.000) 2.555 45.460 ( -6.661 1.146 0.000) 6.758 45.782 ( 1.903 -0.413 0.000) 1.947 46.939 ( -3.181 -0.901 0.000) 3.306 47.302 ( -3.882 -1.104 0.000) 4.035 47.585 ( 1.710 1.048 0.000) 2.005 48.385 ( 3.350 2.048 0.000) 3.927 94.470 ( -2.072 -1.302 0.000) 2.447 94.886 ( -1.983 0.639 0.000) 2.084 95.057 ( -5.330 -0.845 0.000) 5.396 95.225 ( 1.365 3.102 0.000) 3.389 95.489 ( -4.276 2.115 0.000) 4.770 95.564 ( 2.855 -4.949 0.000) 5.713 96.063 ( 4.346 0.659 0.000) 4.396 96.400 ( -7.151 0.557 0.000) 7.173 96.637 ( 0.844 2.219 0.000) 2.374 96.683 ( -0.470 0.881 0.000) 0.999 96.796 ( -2.814 0.512 0.000) 2.860 96.996 ( 3.609 -2.894 0.000) 4.626 97.109 ( 8.559 -2.528 0.000) 8.925 97.280 ( 0.280 -0.710 0.000) 0.763 98.651 ( -8.299 2.353 0.000) 8.626 100.282 ( 3.806 -0.686 0.000) 3.867 101.340 ( 16.113 -0.435 0.000) 16.118 102.018 ( 32.352 0.740 0.000) 32.360 102.919 ( -27.449 -1.916 0.000) 27.516 103.201 ( -32.810 -1.712 0.000) 32.855 ======================= Grid point 34 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 17.365 0.000) 17.365 1.395 ( 0.000 23.511 0.000) 23.511 1.984 ( -0.000 -15.704 0.000) 15.704 2.458 ( -0.000 -16.317 0.000) 16.317 2.507 ( 0.000 26.931 0.000) 26.931 2.866 ( -0.000 -0.915 0.000) 0.915 2.947 ( 0.000 5.143 0.000) 5.143 3.052 ( 0.000 10.606 0.000) 10.606 3.209 ( 0.000 1.341 0.000) 1.341 3.394 ( 0.000 4.459 0.000) 4.459 3.498 ( 0.000 4.325 0.000) 4.325 3.850 ( 0.000 2.076 0.000) 2.076 4.004 ( 0.000 4.763 0.000) 4.763 4.011 ( 0.000 1.512 0.000) 1.512 4.070 ( 0.000 3.540 0.000) 3.540 4.109 ( -0.000 -3.575 0.000) 3.575 4.326 ( -0.000 -7.939 0.000) 7.939 4.359 ( -0.000 -1.526 0.000) 1.526 4.425 ( -0.000 -1.669 0.000) 1.669 4.739 ( 0.000 13.799 0.000) 13.799 4.876 ( 0.000 2.064 0.000) 2.064 5.219 ( -0.000 -4.382 0.000) 4.382 5.413 ( -0.000 -26.569 0.000) 26.569 5.476 ( 0.000 5.081 0.000) 5.081 5.586 ( -0.000 -2.959 0.000) 2.959 5.605 ( 0.000 2.196 0.000) 2.196 5.630 ( 0.000 1.454 0.000) 1.454 5.858 ( -0.000 -11.005 0.000) 11.005 6.121 ( -0.000 -4.224 0.000) 4.224 6.228 ( -0.000 -3.259 0.000) 3.259 6.338 ( -0.000 -1.021 0.000) 1.021 6.348 ( -0.000 -0.261 0.000) 0.261 6.647 ( -0.000 -5.113 0.000) 5.113 6.849 ( -0.000 -1.470 0.000) 1.470 7.153 ( 0.000 2.324 0.000) 2.324 7.308 ( 0.000 0.472 0.000) 0.472 7.402 ( -0.000 -0.260 0.000) 0.260 7.624 ( 0.000 1.303 0.000) 1.303 7.669 ( -0.000 -0.012 0.000) 0.012 7.910 ( -0.000 -1.029 0.000) 1.029 8.093 ( 0.000 1.566 0.000) 1.566 8.231 ( 0.000 2.118 0.000) 2.118 8.251 ( 0.000 5.726 0.000) 5.726 8.317 ( 0.000 3.074 0.000) 3.074 8.427 ( -0.000 -2.392 0.000) 2.392 8.445 ( -0.000 -2.045 0.000) 2.045 8.811 ( 0.000 0.185 0.000) 0.185 9.713 ( 0.000 2.259 0.000) 2.259 14.273 ( 0.000 1.504 0.000) 1.504 14.437 ( -0.000 -2.697 0.000) 2.697 14.835 ( 0.000 0.259 0.000) 0.259 15.235 ( -0.000 -1.440 0.000) 1.440 15.603 ( -0.000 -0.279 0.000) 0.279 16.166 ( 0.000 0.796 0.000) 0.796 16.640 ( 0.000 4.497 0.000) 4.497 17.094 ( 0.000 3.382 0.000) 3.382 17.299 ( 0.000 2.882 0.000) 2.882 17.479 ( -0.000 -1.573 0.000) 1.573 18.163 ( -0.000 -10.570 0.000) 10.570 18.217 ( -0.000 -0.778 0.000) 0.778 18.796 ( -0.000 -5.490 0.000) 5.490 18.807 ( 0.000 2.615 0.000) 2.615 19.725 ( -0.000 -6.091 0.000) 6.091 19.822 ( -0.000 -2.075 0.000) 2.075 20.452 ( 0.000 9.004 0.000) 9.004 20.843 ( -0.000 -0.784 0.000) 0.784 21.208 ( 0.000 1.403 0.000) 1.403 21.323 ( 0.000 0.976 0.000) 0.976 21.390 ( -0.000 -3.078 0.000) 3.078 21.825 ( 0.000 1.096 0.000) 1.096 22.184 ( -0.000 -1.960 0.000) 1.960 22.344 ( 0.000 0.241 0.000) 0.241 22.547 ( 0.000 2.141 0.000) 2.141 23.440 ( 0.000 0.890 0.000) 0.890 23.786 ( 0.000 0.661 0.000) 0.661 24.044 ( -0.000 -0.426 0.000) 0.426 25.077 ( -0.000 -1.025 0.000) 1.025 25.608 ( 0.000 0.552 0.000) 0.552 44.517 ( 0.000 1.075 0.000) 1.075 45.248 ( -0.000 -0.487 0.000) 0.487 45.260 ( 0.000 0.139 0.000) 0.139 45.370 ( 0.000 1.821 0.000) 1.821 45.398 ( 0.000 0.137 0.000) 0.137 45.803 ( -0.000 -0.454 0.000) 0.454 46.920 ( -0.000 -1.274 0.000) 1.274 47.278 ( -0.000 -1.402 0.000) 1.402 47.588 ( 0.000 1.474 0.000) 1.474 48.392 ( 0.000 2.828 0.000) 2.828 94.466 ( -0.000 -1.805 0.000) 1.805 94.862 ( 0.000 0.785 0.000) 0.785 95.010 ( -0.000 -0.580 0.000) 0.580 95.209 ( 0.000 3.225 0.000) 3.225 95.427 ( 0.000 3.108 0.000) 3.108 95.638 ( -0.000 -5.892 0.000) 5.892 96.106 ( 0.000 1.436 0.000) 1.436 96.319 ( -0.000 -0.514 0.000) 0.514 96.622 ( 0.000 3.013 0.000) 3.013 96.671 ( 0.000 0.927 0.000) 0.927 96.765 ( 0.000 0.558 0.000) 0.558 97.063 ( -0.000 -4.063 0.000) 4.063 97.201 ( -0.000 -1.590 0.000) 1.590 97.286 ( -0.000 -0.644 0.000) 0.644 98.551 ( 0.000 3.529 0.000) 3.529 100.335 ( -0.000 -2.033 0.000) 2.033 101.516 ( 0.000 0.079 0.000) 0.079 102.587 ( -0.000 -1.053 0.000) 1.053 102.635 ( -0.000 -0.183 0.000) 0.183 102.639 ( -0.000 -0.219 0.000) 0.219 ======================= Grid point 41 (24/100) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -23.716 -0.000 0.000) 23.716 1.712 ( -5.549 -0.000 0.000) 5.549 2.009 ( -4.965 -0.000 0.000) 4.965 2.014 ( -3.404 -0.000 0.000) 3.404 2.713 ( -0.694 -0.000 0.000) 0.694 2.897 ( -5.887 -0.000 0.000) 5.887 3.127 ( -10.987 -0.000 0.000) 10.987 3.276 ( -5.818 -0.000 0.000) 5.818 3.403 ( 8.638 0.000 0.000) 8.638 3.465 ( 0.606 0.000 0.000) 0.606 3.489 ( 8.029 0.000 0.000) 8.029 3.857 ( 3.424 0.000 0.000) 3.424 3.952 ( 8.846 0.000 0.000) 8.846 4.095 ( 1.404 0.000 0.000) 1.404 4.154 ( -3.253 -0.000 0.000) 3.253 4.174 ( -3.239 -0.000 0.000) 3.239 4.219 ( -0.839 -0.000 0.000) 0.839 4.249 ( 0.762 0.000 0.000) 0.762 4.384 ( -4.878 -0.000 0.000) 4.878 4.765 ( 11.735 0.000 0.000) 11.735 4.882 ( 1.499 0.000 0.000) 1.499 5.055 ( -1.125 -0.000 0.000) 1.125 5.160 ( -0.409 -0.000 0.000) 0.409 5.481 ( 2.858 0.000 0.000) 2.858 5.571 ( -13.078 -0.000 0.000) 13.078 5.595 ( 8.482 0.000 0.000) 8.482 5.741 ( -6.846 -0.000 0.000) 6.846 5.771 ( -4.499 -0.000 0.000) 4.499 6.128 ( -10.255 -0.000 0.000) 10.255 6.223 ( -2.779 -0.000 0.000) 2.779 6.232 ( 2.712 0.000 0.000) 2.712 6.535 ( -12.813 -0.000 0.000) 12.813 6.591 ( -4.335 -0.000 0.000) 4.335 6.864 ( -2.858 -0.000 0.000) 2.858 7.157 ( 3.227 0.000 0.000) 3.227 7.279 ( 4.104 0.000 0.000) 4.104 7.312 ( 9.126 0.000 0.000) 9.126 7.456 ( 15.129 0.000 0.000) 15.129 7.676 ( -0.612 -0.000 0.000) 0.612 7.975 ( 0.437 0.000 0.000) 0.437 8.176 ( -4.800 -0.000 0.000) 4.800 8.194 ( -0.287 -0.000 0.000) 0.287 8.315 ( 3.574 0.000 0.000) 3.574 8.349 ( 3.034 0.000 0.000) 3.034 8.382 ( 1.029 0.000 0.000) 1.029 8.494 ( -9.171 -0.000 0.000) 9.171 8.773 ( 4.480 0.000 0.000) 4.480 9.623 ( 13.202 0.000 0.000) 13.202 14.401 ( -10.469 -0.000 0.000) 10.469 14.428 ( -3.748 -0.000 0.000) 3.748 14.644 ( 17.445 0.000 0.000) 17.445 14.966 ( 22.643 0.000 0.000) 22.643 15.817 ( -19.818 -0.000 0.000) 19.818 16.384 ( -17.776 -0.000 0.000) 17.776 16.769 ( -7.156 -0.000 0.000) 7.156 17.214 ( -8.062 -0.000 0.000) 8.062 17.409 ( -6.389 -0.000 0.000) 6.389 17.446 ( 0.307 0.000 0.000) 0.307 18.029 ( -1.762 -0.000 0.000) 1.762 18.343 ( -14.598 -0.000 0.000) 14.598 18.781 ( -7.910 -0.000 0.000) 7.910 18.866 ( -1.843 -0.000 0.000) 1.843 19.449 ( 14.277 0.000 0.000) 14.277 19.952 ( -11.997 -0.000 0.000) 11.997 20.550 ( 3.022 0.000 0.000) 3.022 20.852 ( -2.586 -0.000 0.000) 2.586 21.101 ( 11.202 0.000 0.000) 11.202 21.234 ( 0.298 0.000 0.000) 0.298 21.637 ( -18.100 -0.000 0.000) 18.100 21.791 ( 5.853 0.000 0.000) 5.853 22.114 ( 3.792 0.000 0.000) 3.792 22.209 ( 14.681 0.000 0.000) 14.681 22.505 ( 8.083 0.000 0.000) 8.083 23.535 ( -8.183 -0.000 0.000) 8.183 23.751 ( 5.254 0.000 0.000) 5.254 24.045 ( -0.735 -0.000 0.000) 0.735 25.006 ( 6.377 0.000 0.000) 6.377 25.541 ( 8.272 0.000 0.000) 8.272 44.554 ( -2.311 -0.000 0.000) 2.311 45.207 ( 3.802 0.000 0.000) 3.802 45.223 ( 2.699 0.000 0.000) 2.699 45.424 ( -2.709 -0.000 0.000) 2.709 45.471 ( -6.603 -0.000 0.000) 6.603 45.778 ( 2.058 0.000 0.000) 2.058 46.931 ( -3.230 -0.000 0.000) 3.230 47.291 ( -3.833 -0.000 0.000) 3.833 47.594 ( 1.753 0.000 0.000) 1.753 48.404 ( 3.383 0.000 0.000) 3.383 94.458 ( -2.062 -0.000 0.000) 2.062 94.892 ( -2.096 -0.000 0.000) 2.096 95.049 ( -4.964 -0.000 0.000) 4.964 95.259 ( 1.323 0.000 0.000) 1.323 95.509 ( -4.161 -0.000 0.000) 4.161 95.513 ( 2.818 0.000 0.000) 2.818 96.069 ( 4.605 0.000 0.000) 4.605 96.405 ( -8.136 -0.000 0.000) 8.136 96.659 ( 1.033 0.000 0.000) 1.033 96.691 ( -0.683 -0.000 0.000) 0.683 96.801 ( -2.879 -0.000 0.000) 2.879 96.968 ( 3.281 0.000 0.000) 3.281 97.088 ( 9.934 0.000 0.000) 9.934 97.274 ( 0.457 0.000 0.000) 0.457 98.673 ( -8.056 -0.000 0.000) 8.056 100.275 ( 3.157 0.000 0.000) 3.157 101.336 ( 16.626 0.000 0.000) 16.626 102.025 ( 31.838 0.000 0.000) 31.838 102.904 ( -26.198 -0.000 0.000) 26.198 103.186 ( -32.280 -0.000 0.000) 32.280 ======================= Grid point 43 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 12.721 0.000) 12.721 1.721 ( -0.000 -12.238 0.000) 12.238 1.792 ( 0.000 21.091 0.000) 21.091 2.147 ( -0.000 -18.653 0.000) 18.653 2.697 ( 0.000 1.584 0.000) 1.584 2.854 ( -0.000 -0.391 0.000) 0.391 3.015 ( 0.000 2.098 0.000) 2.098 3.224 ( 0.000 0.367 0.000) 0.367 3.394 ( 0.000 16.571 0.000) 16.571 3.471 ( 0.000 3.053 0.000) 3.053 3.555 ( 0.000 1.687 0.000) 1.687 3.878 ( 0.000 0.882 0.000) 0.882 4.032 ( 0.000 0.661 0.000) 0.661 4.080 ( 0.000 4.223 0.000) 4.223 4.111 ( 0.000 1.112 0.000) 1.112 4.137 ( 0.000 8.491 0.000) 8.491 4.185 ( -0.000 -7.058 0.000) 7.058 4.339 ( -0.000 -0.614 0.000) 0.614 4.349 ( -0.000 -8.650 0.000) 8.650 4.898 ( 0.000 0.517 0.000) 0.517 4.973 ( 0.000 10.212 0.000) 10.212 4.986 ( -0.000 -16.609 0.000) 16.609 5.161 ( -0.000 -1.820 0.000) 1.820 5.476 ( -0.000 -7.478 0.000) 7.478 5.528 ( 0.000 1.090 0.000) 1.090 5.647 ( 0.000 0.499 0.000) 0.499 5.667 ( 0.000 3.325 0.000) 3.325 5.735 ( -0.000 -2.602 0.000) 2.602 6.051 ( -0.000 -2.870 0.000) 2.870 6.187 ( -0.000 -1.229 0.000) 1.229 6.325 ( -0.000 -0.422 0.000) 0.422 6.349 ( 0.000 0.098 0.000) 0.098 6.567 ( -0.000 -2.731 0.000) 2.731 6.840 ( -0.000 -0.032 0.000) 0.032 7.184 ( 0.000 0.950 0.000) 0.950 7.316 ( 0.000 0.290 0.000) 0.290 7.404 ( 0.000 0.201 0.000) 0.201 7.639 ( 0.000 0.414 0.000) 0.414 7.669 ( 0.000 0.005 0.000) 0.005 7.898 ( -0.000 -0.333 0.000) 0.333 8.113 ( 0.000 0.592 0.000) 0.592 8.267 ( 0.000 1.606 0.000) 1.606 8.331 ( 0.000 3.062 0.000) 3.062 8.355 ( 0.000 1.098 0.000) 1.098 8.385 ( -0.000 -1.829 0.000) 1.829 8.408 ( -0.000 -1.869 0.000) 1.869 8.813 ( 0.000 0.050 0.000) 0.050 9.742 ( 0.000 0.869 0.000) 0.869 14.297 ( 0.000 1.003 0.000) 1.003 14.398 ( -0.000 -1.437 0.000) 1.437 14.838 ( 0.000 0.117 0.000) 0.117 15.216 ( -0.000 -0.578 0.000) 0.578 15.600 ( -0.000 -0.078 0.000) 0.078 16.175 ( 0.000 0.279 0.000) 0.279 16.698 ( 0.000 1.723 0.000) 1.723 17.138 ( 0.000 1.323 0.000) 1.323 17.345 ( 0.000 1.805 0.000) 1.805 17.454 ( -0.000 -1.022 0.000) 1.022 18.033 ( -0.000 -3.768 0.000) 3.768 18.206 ( -0.000 -0.328 0.000) 0.328 18.721 ( -0.000 -2.381 0.000) 2.381 18.845 ( 0.000 1.302 0.000) 1.302 19.642 ( -0.000 -2.667 0.000) 2.667 19.795 ( -0.000 -0.853 0.000) 0.853 20.562 ( 0.000 3.246 0.000) 3.246 20.831 ( -0.000 -0.456 0.000) 0.456 21.232 ( 0.000 0.953 0.000) 0.953 21.340 ( 0.000 0.700 0.000) 0.700 21.345 ( -0.000 -1.626 0.000) 1.626 21.840 ( 0.000 0.499 0.000) 0.499 22.152 ( -0.000 -1.165 0.000) 1.165 22.348 ( 0.000 0.118 0.000) 0.118 22.574 ( 0.000 0.816 0.000) 0.816 23.452 ( 0.000 0.349 0.000) 0.349 23.795 ( 0.000 0.291 0.000) 0.291 24.038 ( -0.000 -0.171 0.000) 0.171 25.066 ( -0.000 -0.282 0.000) 0.282 25.614 ( 0.000 0.166 0.000) 0.166 44.531 ( 0.000 0.430 0.000) 0.430 45.242 ( -0.000 -0.188 0.000) 0.188 45.262 ( 0.000 0.089 0.000) 0.089 45.394 ( 0.000 0.732 0.000) 0.732 45.399 ( -0.000 -0.012 0.000) 0.012 45.798 ( -0.000 -0.131 0.000) 0.131 46.904 ( -0.000 -0.509 0.000) 0.509 47.260 ( -0.000 -0.567 0.000) 0.567 47.607 ( 0.000 0.578 0.000) 0.578 48.429 ( 0.000 1.099 0.000) 1.099 94.443 ( -0.000 -0.673 0.000) 0.673 94.872 ( 0.000 0.270 0.000) 0.270 95.003 ( -0.000 -0.164 0.000) 0.164 95.261 ( 0.000 2.055 0.000) 2.055 95.466 ( 0.000 1.171 0.000) 1.171 95.552 ( -0.000 -3.068 0.000) 3.068 96.124 ( 0.000 0.566 0.000) 0.566 96.312 ( -0.000 -0.211 0.000) 0.211 96.664 ( 0.000 1.409 0.000) 1.409 96.683 ( 0.000 0.365 0.000) 0.365 96.772 ( 0.000 0.225 0.000) 0.225 97.006 ( -0.000 -1.867 0.000) 1.867 97.181 ( -0.000 -0.591 0.000) 0.591 97.278 ( -0.000 -0.260 0.000) 0.260 98.596 ( 0.000 1.361 0.000) 1.361 100.308 ( -0.000 -0.816 0.000) 0.816 101.517 ( 0.000 0.031 0.000) 0.031 102.574 ( -0.000 -0.378 0.000) 0.378 102.633 ( -0.000 -0.065 0.000) 0.065 102.636 ( -0.000 -0.094 0.000) 0.094 ======================= Grid point 85 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 0.000 24.510) 24.510 0.643 ( 0.000 0.000 32.292) 32.292 1.196 ( 0.000 0.000 59.630) 59.630 2.569 ( 0.000 0.000 -13.340) 13.340 2.686 ( 0.000 0.000 -3.448) 3.448 2.701 ( 0.000 0.000 -24.643) 24.643 2.789 ( 0.000 0.000 -0.622) 0.622 3.043 ( 0.000 0.000 -7.315) 7.315 3.080 ( 0.000 0.000 -2.947) 2.947 3.318 ( 0.000 0.000 -23.073) 23.073 3.472 ( 0.000 0.000 8.791) 8.791 3.549 ( 0.000 0.000 17.199) 17.199 3.823 ( 0.000 0.000 -3.113) 3.113 3.900 ( 0.000 0.000 0.424) 0.424 4.015 ( 0.000 0.000 -17.066) 17.066 4.326 ( 0.000 0.000 -7.561) 7.561 4.328 ( 0.000 0.000 19.877) 19.877 4.386 ( 0.000 0.000 -0.378) 0.378 4.522 ( 0.000 0.000 -1.958) 1.958 4.699 ( 0.000 0.000 11.865) 11.865 4.987 ( 0.000 0.000 17.246) 17.246 5.115 ( 0.000 0.000 -14.709) 14.709 5.428 ( 0.000 0.000 -8.684) 8.684 5.461 ( 0.000 0.000 2.361) 2.361 5.469 ( 0.000 0.000 -5.326) 5.326 5.530 ( 0.000 0.000 1.655) 1.655 5.654 ( 0.000 0.000 4.553) 4.553 6.150 ( 0.000 0.000 -0.557) 0.557 6.267 ( 0.000 0.000 -7.934) 7.934 6.313 ( 0.000 0.000 0.522) 0.522 6.393 ( 0.000 0.000 -0.288) 0.288 6.479 ( 0.000 0.000 11.303) 11.303 6.669 ( 0.000 0.000 0.831) 0.831 6.910 ( 0.000 0.000 -12.623) 12.623 7.104 ( 0.000 0.000 -1.009) 1.009 7.460 ( 0.000 0.000 -2.124) 2.124 7.583 ( 0.000 0.000 -8.693) 8.693 7.623 ( 0.000 0.000 -2.419) 2.419 7.725 ( 0.000 0.000 4.825) 4.825 7.978 ( 0.000 0.000 -1.418) 1.418 8.041 ( 0.000 0.000 1.275) 1.275 8.088 ( 0.000 0.000 6.305) 6.305 8.116 ( 0.000 0.000 -0.785) 0.785 8.258 ( 0.000 0.000 7.488) 7.488 8.438 ( 0.000 0.000 -2.626) 2.626 8.545 ( 0.000 0.000 1.714) 1.714 8.949 ( 0.000 0.000 -0.495) 0.495 9.117 ( 0.000 0.000 -3.732) 3.732 14.236 ( 0.000 0.000 0.988) 0.988 14.501 ( 0.000 0.000 -3.849) 3.849 14.865 ( 0.000 0.000 3.670) 3.670 15.270 ( 0.000 0.000 -2.855) 2.855 16.211 ( 0.000 0.000 8.462) 8.462 16.520 ( 0.000 0.000 8.076) 8.076 16.763 ( 0.000 0.000 0.196) 0.196 16.899 ( 0.000 0.000 -3.459) 3.459 17.135 ( 0.000 0.000 -7.044) 7.044 17.486 ( 0.000 0.000 -5.283) 5.283 18.377 ( 0.000 0.000 11.615) 11.615 18.780 ( 0.000 0.000 4.947) 4.947 18.785 ( 0.000 0.000 -0.355) 0.355 19.080 ( 0.000 0.000 7.350) 7.350 19.642 ( 0.000 0.000 -21.041) 21.041 19.920 ( 0.000 0.000 -4.605) 4.605 20.690 ( 0.000 0.000 0.282) 0.282 20.804 ( 0.000 0.000 -5.987) 5.987 21.113 ( 0.000 0.000 -4.596) 4.596 21.385 ( 0.000 0.000 9.089) 9.089 21.401 ( 0.000 0.000 -9.599) 9.599 22.129 ( 0.000 0.000 0.043) 0.043 22.161 ( 0.000 0.000 17.022) 17.022 22.392 ( 0.000 0.000 4.165) 4.165 22.464 ( 0.000 0.000 2.039) 2.039 23.317 ( 0.000 0.000 -7.521) 7.521 23.812 ( 0.000 0.000 4.674) 4.674 24.057 ( 0.000 0.000 -1.236) 1.236 25.135 ( 0.000 0.000 3.180) 3.180 25.542 ( 0.000 0.000 -2.692) 2.692 44.524 ( 0.000 0.000 5.335) 5.335 45.224 ( 0.000 0.000 -1.321) 1.321 45.234 ( 0.000 0.000 -5.797) 5.797 45.334 ( 0.000 0.000 3.810) 3.810 45.362 ( 0.000 0.000 -1.708) 1.708 45.764 ( 0.000 0.000 -5.637) 5.637 47.005 ( 0.000 0.000 2.879) 2.879 47.317 ( 0.000 0.000 -2.106) 2.106 47.602 ( 0.000 0.000 7.530) 7.530 48.232 ( 0.000 0.000 -3.256) 3.256 94.561 ( 0.000 0.000 0.393) 0.393 94.770 ( 0.000 0.000 -3.977) 3.977 95.091 ( 0.000 0.000 2.513) 2.513 95.256 ( 0.000 0.000 -0.857) 0.857 95.379 ( 0.000 0.000 3.289) 3.289 95.827 ( 0.000 0.000 -3.689) 3.689 96.045 ( 0.000 0.000 0.299) 0.299 96.078 ( 0.000 0.000 -0.455) 0.455 96.375 ( 0.000 0.000 3.182) 3.182 96.616 ( 0.000 0.000 -1.358) 1.358 96.779 ( 0.000 0.000 3.896) 3.896 97.280 ( 0.000 0.000 -3.377) 3.377 97.294 ( 0.000 0.000 7.236) 7.236 98.295 ( 0.000 0.000 -8.963) 8.963 100.073 ( 0.000 0.000 0.359) 0.359 100.219 ( 0.000 0.000 -3.140) 3.140 101.627 ( 0.000 0.000 10.782) 10.782 102.561 ( 0.000 0.000 -5.324) 5.324 102.644 ( 0.000 0.000 -0.013) 0.013 102.647 ( 0.000 0.000 -0.053) 0.053 ======================= Grid point 86 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 6.365 -26.162 14.801) 30.725 0.781 ( 15.787 -7.114 20.136) 26.557 1.574 ( 31.928 -5.610 44.314) 54.906 2.643 ( 7.446 2.058 -12.095) 14.351 2.696 ( 0.555 -1.310 -19.482) 19.534 2.755 ( 2.017 3.043 -7.001) 7.895 2.820 ( 2.394 1.210 -10.886) 11.212 3.066 ( 2.952 3.293 -4.033) 5.985 3.095 ( 3.572 0.293 -4.619) 5.846 3.251 ( -6.199 -2.867 -8.857) 11.184 3.466 ( 3.057 1.636 -5.714) 6.684 3.560 ( -2.484 -5.305 15.081) 16.179 3.835 ( -2.818 1.392 7.615) 8.238 3.936 ( 6.002 0.749 -6.970) 9.228 3.959 ( -6.311 -1.292 -13.607) 15.055 4.270 ( -2.244 0.856 -0.638) 2.485 4.277 ( -2.431 0.371 -4.457) 5.091 4.440 ( 2.926 2.158 11.105) 11.685 4.588 ( 5.821 0.819 3.598) 6.892 4.723 ( 1.539 -1.266 11.046) 11.225 4.938 ( -3.645 1.230 17.276) 17.700 5.170 ( 3.467 -1.429 -13.601) 14.109 5.318 ( -5.811 0.125 -0.738) 5.859 5.426 ( -4.059 -0.666 -1.254) 4.300 5.584 ( 6.660 -0.829 -11.035) 12.916 5.609 ( 6.575 -1.229 1.676) 6.896 5.744 ( 7.002 -1.476 2.004) 7.431 6.148 ( -0.422 -0.013 -1.522) 1.580 6.203 ( -6.070 1.912 -6.383) 9.013 6.367 ( 5.954 3.551 0.752) 6.973 6.437 ( 6.240 0.109 -2.559) 6.745 6.530 ( 5.116 -2.676 8.422) 10.211 6.753 ( 5.915 -0.285 -2.567) 6.454 6.899 ( 0.842 1.667 -9.339) 9.524 7.100 ( -0.646 -0.494 -0.621) 1.023 7.314 ( -13.673 0.604 6.410) 15.113 7.386 ( -7.755 1.078 0.599) 7.852 7.456 ( -13.078 1.222 -0.643) 13.151 7.777 ( -1.774 1.720 0.164) 2.477 7.911 ( -4.426 -2.653 6.001) 7.915 7.988 ( -1.774 -1.322 -0.675) 2.313 8.158 ( 9.639 -0.648 -1.030) 9.715 8.281 ( 3.613 -0.931 5.023) 6.257 8.399 ( -1.535 1.083 -1.222) 2.241 8.439 ( 12.528 3.307 -7.651) 15.048 8.494 ( -5.031 0.366 1.211) 5.187 8.839 ( -6.601 3.860 2.667) 8.099 9.104 ( -9.348 -9.713 -5.866) 14.701 14.286 ( 5.215 -0.239 0.673) 5.263 14.685 ( -11.888 0.209 2.404) 12.130 14.700 ( 9.818 2.645 -13.096) 16.580 14.982 ( -25.344 -0.026 -1.164) 25.370 16.297 ( -8.518 5.760 19.817) 22.326 16.480 ( 21.114 -0.477 7.826) 22.523 16.615 ( 4.668 -1.223 9.817) 10.939 16.963 ( 6.741 -1.133 -4.291) 8.071 17.314 ( 11.841 1.502 0.122) 11.936 17.499 ( 1.416 0.095 -4.533) 4.750 18.585 ( -7.793 5.365 -1.877) 9.646 18.751 ( 19.639 2.811 -10.996) 22.682 18.855 ( 2.620 -0.128 8.134) 8.547 19.237 ( 15.299 3.525 3.067) 15.997 19.522 ( -5.678 4.044 -15.825) 17.292 19.994 ( 4.151 3.376 -6.384) 8.330 20.665 ( 1.165 5.939 2.384) 6.505 20.824 ( 2.279 -0.007 -5.826) 6.256 21.079 ( -10.412 2.602 -0.327) 10.737 21.103 ( -3.754 -0.828 -3.589) 5.259 21.691 ( 15.650 4.066 -1.587) 16.247 22.045 ( -3.975 3.611 16.010) 16.887 22.143 ( -4.385 -4.362 4.139) 7.442 22.305 ( -12.958 1.720 3.603) 13.559 22.351 ( -8.748 -2.606 3.783) 9.881 23.371 ( 3.958 -0.469 -9.512) 10.313 23.795 ( -1.392 -0.219 6.399) 6.552 24.066 ( 1.090 0.274 -0.777) 1.366 25.064 ( -8.232 -0.421 2.844) 8.719 25.470 ( -7.768 -0.373 -3.164) 8.396 44.541 ( 1.657 -0.446 5.172) 5.449 45.158 ( -3.176 -0.208 -3.436) 4.683 45.265 ( -1.216 0.053 0.082) 1.220 45.375 ( 1.630 -0.166 -1.618) 2.303 45.390 ( 6.159 -0.255 0.125) 6.165 45.756 ( -0.624 0.299 -5.393) 5.437 47.029 ( 2.929 0.478 2.955) 4.188 47.349 ( 3.827 0.513 -2.306) 4.497 47.592 ( -1.436 -0.631 7.409) 7.573 48.210 ( -3.063 -1.139 -3.235) 4.599 94.578 ( 2.364 0.951 0.501) 2.597 94.788 ( 1.890 -0.248 -3.730) 4.188 95.131 ( 2.069 0.116 2.960) 3.613 95.294 ( 3.265 -0.262 -0.096) 3.277 95.376 ( 2.959 2.825 2.577) 4.835 95.781 ( -3.987 1.910 -4.101) 6.030 95.984 ( -1.053 3.464 -0.414) 3.644 96.114 ( -4.447 -9.972 -1.125) 10.977 96.444 ( 5.814 -0.092 -0.921) 5.887 96.622 ( 0.450 -0.418 -1.330) 1.465 96.765 ( -1.195 -0.341 4.109) 4.293 97.190 ( -6.243 0.576 2.421) 6.721 97.337 ( 1.694 0.891 1.878) 2.681 98.135 ( -18.060 7.225 0.691) 19.464 99.148 ( -26.410 22.773 50.820) 61.634 100.116 ( -5.433 -8.306 -0.559) 9.941 101.397 ( -11.386 0.551 -0.513) 11.411 101.935 ( -36.934 -0.242 -3.657) 37.115 103.249 ( 35.307 2.039 -1.589) 35.401 103.529 ( 48.534 16.389 -22.539) 55.965 ======================= Grid point 87 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 14.836 -22.024 5.676) 27.155 1.237 ( 22.946 -12.391 5.757) 26.706 2.204 ( 28.879 -6.134 21.353) 36.436 2.681 ( 1.681 3.453 -6.588) 7.626 2.712 ( -4.705 6.307 -3.058) 8.442 2.755 ( 2.290 -1.044 -9.371) 9.703 2.859 ( 8.617 -3.645 -15.781) 18.346 3.115 ( 4.792 4.677 -7.069) 9.737 3.159 ( -4.753 -2.285 1.088) 5.385 3.230 ( 8.947 -0.563 -8.157) 12.120 3.529 ( -4.880 -2.692 14.581) 15.610 3.563 ( 6.508 -3.056 -9.925) 12.256 3.738 ( -6.300 2.413 -1.432) 6.896 3.831 ( -5.395 -0.509 -4.195) 6.853 4.033 ( 4.261 1.731 -4.473) 6.415 4.249 ( -1.362 -3.384 -3.424) 5.003 4.273 ( 0.906 -1.648 -3.850) 4.285 4.478 ( 5.236 4.249 13.780) 15.341 4.669 ( 3.411 0.531 5.932) 6.864 4.745 ( -1.170 -2.159 10.318) 10.606 4.861 ( -2.443 2.491 12.592) 13.066 5.131 ( -6.574 -0.470 -1.183) 6.696 5.300 ( -2.348 -0.820 -7.978) 8.357 5.413 ( 6.634 2.180 -1.253) 7.095 5.677 ( 4.724 4.499 -8.253) 10.519 5.757 ( 7.255 -1.322 -3.032) 7.974 5.840 ( 3.323 0.828 -0.481) 3.458 6.063 ( -2.828 3.020 -1.022) 4.262 6.178 ( 2.291 0.742 -2.335) 3.354 6.434 ( 4.330 1.246 -0.233) 4.512 6.586 ( 10.254 1.852 -0.431) 10.429 6.652 ( 4.063 -2.881 3.795) 6.262 6.818 ( 2.316 -1.057 -9.039) 9.390 6.935 ( 4.733 5.065 -6.187) 9.292 7.089 ( -3.446 -0.748 -0.315) 3.540 7.125 ( -8.766 -1.333 0.129) 8.867 7.216 ( -7.203 2.264 4.637) 8.861 7.264 ( -6.526 -0.173 3.725) 7.517 7.695 ( -4.985 -0.046 -0.251) 4.991 7.876 ( -4.071 -2.515 3.434) 5.890 7.932 ( -5.359 -1.155 0.640) 5.519 8.248 ( -2.889 -1.119 -3.169) 4.432 8.333 ( 3.050 0.636 2.331) 3.892 8.361 ( -7.698 0.829 0.817) 7.785 8.434 ( 6.587 -1.344 3.618) 7.634 8.586 ( 5.831 2.172 -3.554) 7.166 8.688 ( -6.967 1.633 1.490) 7.309 8.968 ( -13.463 -7.003 -4.738) 15.898 14.358 ( -14.347 0.484 1.166) 14.402 14.391 ( -0.861 -0.777 -0.492) 1.259 14.547 ( -18.926 -0.240 1.018) 18.955 14.875 ( 7.939 4.172 -11.640) 14.695 16.318 ( 9.759 0.795 14.013) 17.095 16.741 ( 10.356 -1.513 6.548) 12.346 16.850 ( 14.622 -0.596 8.924) 17.141 17.158 ( 14.147 -1.937 -6.566) 15.717 17.516 ( 4.737 1.076 -1.051) 4.970 17.562 ( 13.445 -0.188 1.898) 13.580 18.425 ( -3.371 5.681 -2.292) 6.992 18.860 ( 1.515 1.482 4.928) 5.364 18.961 ( 5.129 2.779 -8.263) 10.115 19.338 ( -0.877 7.777 -8.546) 11.588 19.535 ( 11.865 3.300 -2.510) 12.569 19.975 ( -2.336 0.661 -4.236) 4.883 20.645 ( 1.978 4.264 1.520) 4.940 20.884 ( 4.477 0.077 -5.435) 7.042 20.946 ( -0.449 2.838 -1.611) 3.294 21.063 ( -3.387 -1.717 -3.563) 5.207 21.786 ( -3.635 1.832 13.200) 13.814 21.979 ( -16.454 1.218 3.933) 16.961 22.033 ( -0.638 1.189 1.307) 1.879 22.080 ( -6.762 -2.180 2.309) 7.471 22.234 ( -2.904 -1.604 6.715) 7.490 23.385 ( -4.487 -0.764 -11.887) 12.728 23.805 ( 2.925 -0.460 8.397) 8.904 24.083 ( 1.005 0.386 -0.228) 1.100 24.882 ( -11.628 -0.133 2.458) 11.886 25.290 ( -12.888 -0.339 -3.805) 13.442 44.591 ( 3.408 -0.954 4.723) 5.902 45.117 ( -2.301 0.026 -3.211) 3.951 45.223 ( -2.182 0.391 1.706) 2.797 45.401 ( 0.488 -1.013 -1.742) 2.073 45.521 ( 7.578 -0.274 -1.382) 7.708 45.743 ( -0.074 0.862 -4.534) 4.616 47.095 ( 5.143 0.795 3.158) 6.087 47.433 ( 5.958 0.860 -2.557) 6.540 47.566 ( -1.897 -0.848 6.823) 7.133 48.146 ( -5.897 -2.019 -3.169) 6.992 94.626 ( 4.424 1.824 0.834) 4.857 94.838 ( 3.158 -0.731 -2.738) 4.244 95.124 ( -2.594 -0.681 4.474) 5.216 95.356 ( 5.900 3.327 1.748) 6.995 95.468 ( 7.404 -1.099 -0.521) 7.503 95.666 ( -6.751 2.278 -4.201) 8.271 95.946 ( -1.916 0.368 -1.696) 2.585 96.107 ( -5.457 -8.570 -1.624) 10.288 96.533 ( 4.273 0.509 -1.658) 4.611 96.640 ( 0.766 -1.145 -1.348) 1.928 96.763 ( 0.560 -0.752 1.689) 1.931 97.066 ( -6.900 0.834 3.901) 7.970 97.331 ( -1.052 1.565 1.718) 2.550 97.698 ( -18.098 8.959 13.957) 24.548 99.001 ( 9.675 4.137 19.470) 22.131 100.087 ( -3.722 -2.731 -2.109) 5.075 101.164 ( -14.091 3.194 -2.454) 14.655 101.353 ( -29.221 -2.392 -3.511) 29.528 103.782 ( 27.950 3.570 -1.011) 28.195 103.998 ( 25.824 14.198 -8.847) 30.769 ======================= Grid point 88 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 20.002 -15.076 0.076) 25.048 1.742 ( 21.668 -11.606 1.096) 24.605 2.510 ( -0.955 -0.526 -5.416) 5.524 2.544 ( -0.504 2.185 -0.482) 2.293 2.694 ( -2.704 0.939 -9.243) 9.676 2.815 ( 0.803 4.627 3.288) 5.732 3.039 ( 2.471 -0.326 -15.546) 15.745 3.094 ( -3.518 -1.232 -2.228) 4.343 3.211 ( 13.853 -2.596 3.482) 14.518 3.364 ( 0.581 -1.893 -4.703) 5.102 3.518 ( 5.123 -0.574 11.755) 12.835 3.580 ( -3.627 2.556 -4.305) 6.182 3.775 ( 9.591 -5.664 -4.511) 12.017 3.819 ( 3.356 -2.007 -2.805) 4.812 4.061 ( 2.707 2.674 -5.150) 6.403 4.266 ( -0.285 -0.310 -1.704) 1.755 4.321 ( 1.174 -6.453 0.722) 6.599 4.525 ( 3.830 6.437 14.745) 16.539 4.703 ( 0.931 -0.011 3.835) 3.946 4.712 ( -2.254 -1.333 8.109) 8.521 4.828 ( -0.443 3.182 4.679) 5.676 5.030 ( -5.063 -1.196 0.838) 5.270 5.241 ( -3.540 -0.055 -6.128) 7.077 5.521 ( 4.131 3.136 -0.511) 5.211 5.631 ( -0.475 7.852 -4.719) 9.173 5.791 ( 0.715 1.400 -6.103) 6.302 5.962 ( 7.031 0.188 0.980) 7.101 6.048 ( 1.810 0.464 -5.203) 5.528 6.219 ( 3.321 2.039 4.406) 5.882 6.474 ( -1.299 -1.879 -0.435) 2.325 6.690 ( -0.742 -3.162 -3.588) 4.839 6.703 ( 4.676 6.751 4.705) 9.464 6.898 ( -0.444 -1.339 -6.492) 6.644 6.904 ( -3.065 -0.413 -4.288) 5.287 6.963 ( 1.612 0.417 -7.213) 7.402 7.110 ( -1.059 -2.290 -0.206) 2.531 7.140 ( 1.005 2.285 3.525) 4.319 7.243 ( 3.323 2.343 3.147) 5.142 7.627 ( -3.000 -1.021 -0.246) 3.178 7.785 ( -6.278 -0.037 -0.674) 6.315 7.869 ( -3.994 -3.425 3.900) 6.549 8.151 ( -8.441 0.510 -1.474) 8.584 8.223 ( -4.984 0.353 3.636) 6.179 8.389 ( 2.448 -0.075 0.322) 2.470 8.483 ( -7.743 0.110 1.917) 7.978 8.579 ( 4.241 -1.296 2.598) 5.139 8.665 ( -1.747 -0.061 -0.968) 1.999 8.818 ( -6.005 -3.324 -3.999) 7.943 14.103 ( -11.588 0.475 0.372) 11.603 14.170 ( -14.756 -0.907 -1.430) 14.853 14.537 ( 4.490 -0.583 1.393) 4.737 14.936 ( 3.586 3.324 -7.353) 8.830 16.519 ( 11.598 -1.420 10.446) 15.673 16.941 ( 7.834 0.144 6.100) 9.930 17.005 ( 5.858 -1.510 6.088) 8.582 17.427 ( 8.488 0.601 -5.662) 10.221 17.592 ( 11.157 -2.127 -0.344) 11.363 17.857 ( 17.040 -0.287 1.506) 17.109 18.373 ( 1.904 4.388 -2.542) 5.417 18.811 ( -7.358 4.544 -3.657) 9.389 18.956 ( -0.172 0.714 -1.122) 1.341 19.234 ( -4.205 3.748 -9.171) 10.762 19.665 ( 7.493 7.392 4.598) 11.485 19.985 ( 2.838 -3.117 -8.156) 9.181 20.667 ( 4.369 3.047 0.063) 5.327 20.939 ( -1.794 -0.970 -4.778) 5.195 20.996 ( 8.111 2.956 -3.738) 9.408 21.045 ( 2.025 -1.968 -2.638) 3.864 21.650 ( -8.783 -0.540 20.667) 22.462 21.668 ( -14.130 0.441 6.008) 15.361 21.907 ( -13.757 -1.783 -0.504) 13.882 21.927 ( -9.901 0.531 4.411) 10.852 22.396 ( 16.055 1.428 -0.107) 16.119 23.235 ( -12.699 -1.139 -9.561) 15.937 23.890 ( 5.332 -0.678 5.957) 8.024 24.086 ( -0.348 0.542 0.561) 0.854 24.708 ( -7.296 -0.710 1.128) 7.416 25.044 ( -14.479 0.273 -3.679) 14.942 44.677 ( 5.107 -1.451 4.047) 6.676 45.045 ( -5.478 0.974 -0.161) 5.567 45.217 ( 1.898 0.402 -0.517) 2.008 45.398 ( -2.216 -1.510 -2.179) 3.455 45.642 ( 5.614 -0.331 -1.635) 5.857 45.744 ( 1.171 1.136 -3.291) 3.673 47.190 ( 6.405 0.961 3.481) 7.353 47.471 ( -2.976 -0.882 3.210) 4.465 47.604 ( 7.643 1.327 -0.035) 7.758 48.041 ( -8.240 -2.486 -3.043) 9.129 94.697 ( 5.819 2.460 1.394) 6.470 94.893 ( 0.850 -1.549 0.056) 1.767 95.093 ( -0.384 -1.226 1.005) 1.631 95.438 ( 6.043 3.160 1.491) 6.981 95.498 ( -7.459 2.442 -3.791) 8.716 95.642 ( 8.423 -2.005 -0.954) 8.711 95.903 ( -3.308 -1.387 -0.778) 3.670 96.076 ( -5.636 -6.008 -2.840) 8.714 96.585 ( 2.560 0.910 -0.984) 2.890 96.669 ( 1.183 -1.727 -1.247) 2.437 96.791 ( 1.514 -0.412 -1.541) 2.199 96.943 ( -6.122 0.775 5.515) 8.277 97.276 ( -3.222 2.321 3.493) 5.289 97.382 ( -10.383 5.404 12.120) 16.850 99.221 ( 16.204 0.642 7.089) 17.699 100.017 ( -6.731 -0.422 -3.910) 7.796 100.836 ( -17.715 1.040 -0.458) 17.751 101.015 ( -13.062 -0.855 -3.051) 13.441 104.152 ( 17.836 3.609 -0.772) 18.214 104.250 ( 14.802 8.133 -3.212) 17.192 ======================= Grid point 89 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 19.920 -7.490 -5.393) 21.954 2.171 ( 15.577 -8.851 -0.063) 17.916 2.358 ( -12.094 0.526 -4.267) 12.835 2.477 ( -8.681 6.079 -0.820) 10.629 2.672 ( 2.510 -0.953 3.330) 4.277 2.736 ( -3.272 2.998 -3.677) 5.763 2.955 ( -5.379 2.198 -14.222) 15.364 3.072 ( -0.362 -0.271 -5.740) 5.758 3.383 ( 1.915 -1.135 -5.022) 5.493 3.403 ( 2.696 0.464 1.294) 3.027 3.512 ( -1.358 -0.282 -2.683) 3.021 3.642 ( 3.473 -2.103 3.933) 5.653 3.927 ( 3.851 0.235 -5.225) 6.495 3.959 ( 3.326 -2.611 2.995) 5.182 4.181 ( 7.829 -3.534 3.109) 9.135 4.277 ( 5.727 -0.463 -4.629) 7.378 4.427 ( 3.930 -4.324 2.225) 6.252 4.464 ( -2.577 4.871 9.256) 10.772 4.666 ( -6.495 2.272 3.299) 7.631 4.736 ( 1.212 0.883 0.269) 1.523 4.743 ( -2.037 1.452 2.943) 3.863 4.988 ( -1.438 -1.223 2.880) 3.444 5.194 ( -1.583 0.043 -4.155) 4.446 5.444 ( -3.010 3.320 4.044) 6.036 5.651 ( 3.237 2.283 -4.002) 5.631 5.811 ( 2.485 -0.145 -7.368) 7.777 5.936 ( -4.156 2.317 -3.189) 5.729 6.159 ( 6.583 -0.250 1.049) 6.671 6.239 ( 0.172 1.098 10.674) 10.732 6.426 ( -3.993 -1.400 -3.160) 5.281 6.660 ( -2.703 -0.859 5.922) 6.566 6.697 ( -0.218 0.719 -3.741) 3.816 6.869 ( 2.048 0.314 -9.249) 9.478 6.904 ( -1.252 0.615 -6.835) 6.976 7.066 ( 3.978 -2.060 -2.264) 5.019 7.114 ( -0.308 -0.702 -2.888) 2.988 7.160 ( 2.219 1.835 0.460) 2.916 7.284 ( 2.650 1.688 0.934) 3.277 7.604 ( -0.769 -0.412 1.480) 1.718 7.709 ( -2.176 -0.187 -0.628) 2.272 7.857 ( 0.051 -2.301 1.910) 2.991 7.994 ( -6.680 1.225 -0.528) 6.812 8.164 ( -1.931 0.097 5.947) 6.253 8.358 ( -4.475 -0.189 1.314) 4.668 8.421 ( 0.933 -0.094 0.263) 0.974 8.586 ( -4.297 -1.069 -1.288) 4.611 8.649 ( 1.874 -0.566 3.011) 3.592 8.816 ( 0.888 -0.263 -2.260) 2.443 13.956 ( -4.355 0.298 -0.135) 4.368 14.006 ( -4.771 -0.553 -1.071) 4.921 14.596 ( 1.612 -0.221 1.076) 1.951 14.955 ( 1.064 1.203 -5.504) 5.734 16.727 ( 9.704 -2.701 9.562) 13.888 16.904 ( -5.770 3.103 8.544) 10.767 17.194 ( 8.512 -3.094 2.198) 9.320 17.409 ( -3.880 2.366 0.501) 4.572 17.933 ( 18.272 -3.277 -6.805) 19.772 18.091 ( 6.100 -0.657 -4.618) 7.679 18.374 ( 0.454 1.807 -0.079) 1.865 18.551 ( -12.574 4.526 0.199) 13.365 18.983 ( 2.452 0.157 0.469) 2.501 19.134 ( -3.931 1.063 -10.776) 11.519 19.703 ( 2.308 2.288 4.859) 5.846 20.066 ( 2.580 -0.810 -8.856) 9.259 20.739 ( 6.750 2.885 -2.272) 7.684 20.850 ( -7.918 -2.426 -3.478) 8.982 21.122 ( 6.515 2.197 -4.933) 8.462 21.131 ( 3.135 -1.553 -2.183) 4.124 21.535 ( -0.325 0.547 7.300) 7.328 21.559 ( -0.514 -1.071 16.938) 16.980 21.688 ( -11.135 -1.343 1.053) 11.265 21.725 ( -10.526 1.054 11.658) 15.742 22.684 ( 17.664 1.603 -4.179) 18.222 22.986 ( -16.432 -1.425 -6.755) 17.824 23.980 ( 3.767 -0.650 3.516) 5.194 24.060 ( -1.844 0.588 1.744) 2.605 24.671 ( 2.288 -1.169 -0.892) 2.720 24.809 ( -10.818 0.933 -2.772) 11.207 44.792 ( 6.362 -1.726 3.153) 7.307 44.923 ( -6.709 1.588 1.926) 7.158 45.262 ( 3.041 0.574 -1.662) 3.512 45.358 ( -3.125 -1.090 -2.602) 4.210 45.715 ( 2.136 -0.275 -1.692) 2.739 45.755 ( 0.698 0.633 -2.423) 2.599 47.296 ( 6.528 1.067 3.950) 7.704 47.398 ( -5.722 -1.162 4.325) 7.266 47.751 ( 10.060 2.185 -2.259) 10.540 47.905 ( -9.762 -2.520 -2.800) 10.464 94.780 ( 5.729 2.447 2.195) 6.605 94.870 ( -4.399 -2.147 2.341) 5.426 95.163 ( 6.162 -1.635 -2.539) 6.862 95.323 ( -8.409 2.080 -4.275) 9.660 95.515 ( 3.483 1.712 1.942) 4.340 95.787 ( 3.632 -1.503 -0.242) 3.938 95.884 ( 2.122 -0.388 -1.505) 2.631 96.008 ( -6.289 -2.546 -3.256) 7.526 96.610 ( 0.987 0.398 -2.152) 2.401 96.712 ( 1.759 -1.343 -4.174) 4.724 96.803 ( -0.322 0.479 2.295) 2.366 96.849 ( -3.226 0.559 6.902) 7.639 97.202 ( -1.225 1.877 7.045) 7.393 97.242 ( -3.569 0.921 7.492) 8.350 99.522 ( 17.279 -0.470 0.588) 17.295 99.833 ( -13.904 0.619 -3.560) 14.366 100.625 ( -5.666 -0.336 1.176) 5.796 100.860 ( -4.703 0.180 -2.463) 5.312 104.339 ( 6.181 1.613 -0.709) 6.428 104.375 ( 4.872 2.539 -1.457) 5.684 ======================= Grid point 95 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 21.097 0.000 10.357) 23.502 1.145 ( 26.329 0.000 6.046) 27.014 2.153 ( 31.962 0.000 23.479) 39.659 2.710 ( 2.129 0.000 -12.708) 12.885 2.738 ( -0.738 -0.000 -7.948) 7.982 2.786 ( -5.443 -0.000 -5.326) 7.615 2.827 ( 8.070 0.000 -16.906) 18.733 3.102 ( -0.944 -0.000 3.650) 3.770 3.190 ( 6.621 0.000 -3.402) 7.444 3.248 ( 5.084 0.000 -16.096) 16.880 3.471 ( -2.983 -0.000 17.180) 17.437 3.543 ( 4.610 0.000 -8.050) 9.277 3.771 ( -4.851 -0.000 6.474) 8.090 3.821 ( -7.051 -0.000 -11.460) 13.455 4.054 ( 6.042 0.000 -3.086) 6.785 4.202 ( -3.703 -0.000 -7.304) 8.189 4.267 ( 0.740 0.000 -3.105) 3.192 4.522 ( 5.050 0.000 10.401) 11.562 4.684 ( 3.114 0.000 9.346) 9.851 4.717 ( -1.251 -0.000 11.069) 11.140 4.885 ( -1.848 -0.000 13.885) 14.008 5.126 ( -6.440 -0.000 -0.829) 6.493 5.290 ( -1.961 -0.000 -8.488) 8.712 5.431 ( 6.474 0.000 0.282) 6.480 5.729 ( 9.097 0.000 -13.201) 16.032 5.734 ( 6.571 0.000 2.491) 7.027 5.848 ( 4.776 0.000 0.211) 4.780 6.094 ( -6.062 -0.000 -2.850) 6.698 6.175 ( 2.949 0.000 -1.529) 3.322 6.489 ( 4.321 0.000 4.624) 6.328 6.517 ( 4.312 0.000 -5.365) 6.883 6.668 ( 11.212 0.000 5.237) 12.375 6.807 ( 1.468 0.000 -8.915) 9.035 6.984 ( 5.100 0.000 -3.734) 6.321 7.077 ( -1.988 -0.000 -0.512) 2.053 7.112 ( -12.196 -0.000 -0.986) 12.236 7.238 ( -9.918 -0.000 -0.373) 9.925 7.265 ( -3.821 -0.000 6.899) 7.886 7.693 ( -6.224 -0.000 -0.718) 6.265 7.851 ( -2.327 -0.000 5.594) 6.059 7.924 ( -5.662 -0.000 -1.072) 5.763 8.236 ( -2.607 -0.000 -3.834) 4.636 8.340 ( 3.313 0.000 3.677) 4.950 8.367 ( -7.582 -0.000 0.968) 7.644 8.419 ( 6.017 0.000 3.116) 6.776 8.607 ( 1.800 0.000 -3.429) 3.873 8.724 ( -4.964 -0.000 -1.568) 5.206 8.885 ( -11.251 -0.000 -2.490) 11.524 14.364 ( -17.435 -0.000 1.983) 17.547 14.383 ( 2.556 0.000 -1.061) 2.768 14.545 ( -19.686 -0.000 1.145) 19.720 14.915 ( 7.312 0.000 -14.110) 15.892 16.325 ( 7.885 0.000 14.477) 16.485 16.728 ( 9.430 0.000 6.848) 11.654 16.844 ( 16.259 0.000 8.425) 18.312 17.139 ( 14.325 0.000 -6.134) 15.583 17.528 ( 1.674 0.000 -2.800) 3.262 17.558 ( 15.898 0.000 3.869) 16.362 18.479 ( -4.666 -0.000 -2.354) 5.226 18.877 ( 1.631 0.000 8.261) 8.420 18.984 ( 4.157 0.000 -15.030) 15.595 19.416 ( -7.088 -0.000 -11.988) 13.927 19.561 ( 18.261 0.000 0.416) 18.266 19.976 ( -6.603 -0.000 1.220) 6.715 20.698 ( 0.055 0.000 -6.497) 6.497 20.884 ( 4.440 0.000 -5.636) 7.175 20.983 ( -0.145 -0.000 -1.414) 1.421 21.046 ( -3.734 -0.000 -3.180) 4.905 21.812 ( -6.148 -0.000 14.951) 16.166 21.994 ( -19.744 -0.000 3.708) 20.089 22.042 ( 0.448 0.000 1.315) 1.389 22.052 ( -5.207 -0.000 1.678) 5.470 22.218 ( -0.402 -0.000 6.965) 6.976 23.377 ( -4.485 -0.000 -11.917) 12.733 23.800 ( 2.890 0.000 8.487) 8.966 24.087 ( 0.989 0.000 -0.242) 1.018 24.880 ( -11.687 -0.000 2.474) 11.946 25.286 ( -12.601 -0.000 -3.906) 13.192 44.582 ( 3.340 0.000 4.735) 5.794 45.117 ( -1.957 -0.000 -3.477) 3.989 45.227 ( -2.182 -0.000 1.723) 2.780 45.392 ( 0.307 0.000 -1.667) 1.695 45.519 ( 7.622 0.000 -1.253) 7.724 45.751 ( 0.016 0.000 -4.435) 4.435 47.103 ( 5.085 0.000 3.183) 5.999 47.441 ( 5.584 0.000 -2.427) 6.089 47.558 ( -1.380 -0.000 6.561) 6.704 48.127 ( -5.824 -0.000 -3.121) 6.608 94.643 ( 4.546 0.000 0.732) 4.604 94.830 ( 2.887 0.000 -2.164) 3.608 95.118 ( -2.729 -0.000 4.717) 5.450 95.387 ( 6.731 0.000 -0.469) 6.748 95.467 ( 6.244 0.000 0.491) 6.263 95.685 ( -7.629 -0.000 -4.843) 9.036 95.959 ( -6.159 -0.000 1.061) 6.250 96.009 ( -0.089 -0.000 -2.183) 2.185 96.539 ( 4.740 0.000 -0.985) 4.841 96.628 ( 0.416 0.000 -1.270) 1.336 96.756 ( 0.641 0.000 1.481) 1.614 97.074 ( -7.031 -0.000 3.407) 7.813 97.345 ( -1.173 -0.000 1.557) 1.949 97.783 ( -21.298 -0.000 11.570) 24.237 99.051 ( 4.928 0.000 22.361) 22.898 100.056 ( -1.286 -0.000 -1.232) 1.781 101.201 ( -11.819 -0.000 -3.662) 12.373 101.325 ( -31.737 -0.000 -3.086) 31.886 103.811 ( 27.348 0.000 -0.801) 27.360 104.157 ( 20.241 0.000 -14.244) 24.750 ======================= Grid point 96 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 26.458 -10.231 5.521) 28.900 1.625 ( 25.749 -2.781 -0.931) 25.916 2.504 ( 4.798 -0.040 -7.480) 8.887 2.580 ( -5.184 1.265 -3.170) 6.207 2.701 ( -4.060 0.029 -7.257) 8.315 2.893 ( 1.172 3.396 -7.313) 8.148 3.014 ( 17.108 -2.174 -0.013) 17.246 3.066 ( -1.402 -1.269 -0.928) 2.106 3.216 ( -0.730 2.038 -0.094) 2.167 3.341 ( 2.901 -1.018 -7.727) 8.316 3.505 ( 6.096 -0.374 9.378) 11.191 3.648 ( -2.588 3.508 -0.795) 4.431 3.697 ( 8.531 -2.393 -4.814) 10.084 3.762 ( -0.263 -3.616 -2.707) 4.525 4.119 ( 2.629 3.847 -4.290) 6.334 4.200 ( 1.437 -5.165 -3.327) 6.310 4.283 ( 0.837 0.203 -3.224) 3.337 4.610 ( 5.422 2.570 13.790) 15.039 4.679 ( -3.665 -1.134 10.040) 10.748 4.703 ( 0.997 -0.137 6.484) 6.561 4.882 ( 1.334 2.145 7.489) 7.903 5.011 ( -6.522 -0.716 2.465) 7.009 5.226 ( -4.676 -0.912 -8.001) 9.312 5.556 ( 4.932 0.921 0.200) 5.022 5.756 ( -2.073 4.980 -3.198) 6.271 5.822 ( 1.341 1.362 -7.186) 7.436 5.963 ( 10.056 -0.332 -3.999) 10.827 6.038 ( -0.469 -0.837 1.349) 1.655 6.245 ( 4.316 0.445 0.209) 4.344 6.487 ( -1.307 3.981 1.515) 4.456 6.600 ( -1.249 -6.521 -1.303) 6.767 6.793 ( -2.188 2.635 -0.835) 3.526 6.865 ( 7.671 -0.534 -0.367) 7.699 6.899 ( -7.126 -0.295 -6.196) 9.448 6.999 ( -0.470 2.622 -5.641) 6.239 7.056 ( -1.688 -3.449 -2.198) 4.424 7.163 ( 1.068 0.466 2.889) 3.115 7.284 ( 4.513 1.590 3.363) 5.849 7.611 ( -2.689 -0.627 -1.489) 3.137 7.788 ( -6.904 0.634 -0.697) 6.968 7.822 ( -3.079 -1.928 4.265) 5.603 8.156 ( -6.887 0.131 -1.871) 7.137 8.230 ( -5.639 0.275 2.767) 6.287 8.386 ( 1.867 -0.170 2.609) 3.213 8.488 ( -8.821 0.367 1.565) 8.967 8.544 ( 4.304 -1.613 1.810) 4.939 8.687 ( -6.145 1.617 -1.244) 6.475 8.767 ( 1.120 -2.136 -3.829) 4.526 14.111 ( -11.073 0.303 0.211) 11.079 14.157 ( -15.335 -0.471 -1.176) 15.387 14.530 ( 4.789 -0.206 1.492) 5.020 14.981 ( 1.824 1.422 -8.920) 9.215 16.499 ( 10.423 -0.655 11.088) 15.231 16.928 ( 12.227 -0.737 4.133) 12.928 17.004 ( 2.730 0.407 7.466) 7.960 17.429 ( 13.294 -0.109 -5.928) 14.556 17.571 ( 6.917 -0.426 -0.217) 6.933 17.853 ( 16.476 -0.130 2.178) 16.620 18.434 ( 0.072 1.985 -2.649) 3.311 18.890 ( -3.059 3.984 -1.574) 5.263 18.947 ( -3.885 -1.759 -4.550) 6.236 19.280 ( -7.526 1.358 -9.558) 12.241 19.788 ( 2.641 6.443 2.789) 7.501 19.902 ( 4.371 -5.747 -2.272) 7.569 20.716 ( 3.506 1.726 -5.789) 6.985 20.923 ( -4.063 -0.612 -3.504) 5.400 21.021 ( 3.883 -0.668 -3.033) 4.972 21.047 ( 7.593 2.011 -3.749) 8.703 21.649 ( -9.638 0.231 22.321) 24.314 21.676 ( -14.326 0.276 4.920) 15.150 21.884 ( -13.273 -0.652 -0.056) 13.289 21.929 ( -9.400 -0.136 4.787) 10.550 22.415 ( 16.427 0.605 -0.502) 16.446 23.220 ( -12.810 -0.444 -9.597) 16.013 23.882 ( 5.364 -0.252 6.058) 8.096 24.093 ( -0.351 0.202 0.468) 0.619 24.699 ( -7.674 -0.268 1.224) 7.776 25.048 ( -13.950 0.113 -3.954) 14.500 44.658 ( 5.014 -0.568 4.127) 6.519 45.057 ( -4.973 0.375 -0.653) 5.029 45.223 ( 2.076 0.221 -0.500) 2.147 45.378 ( -2.222 -0.651 -1.844) 2.960 45.639 ( 5.676 -0.083 -1.490) 5.869 45.759 ( 0.964 0.444 -3.293) 3.460 47.202 ( 6.356 0.379 3.549) 7.289 47.458 ( -3.546 -0.416 3.717) 5.153 47.622 ( 8.517 0.570 -0.795) 8.573 48.009 ( -8.068 -0.997 -2.935) 8.643 94.733 ( 6.114 1.235 1.215) 6.354 94.870 ( 0.314 -0.782 0.909) 1.240 95.077 ( -0.673 -0.466 1.820) 1.996 95.500 ( 6.243 2.886 -0.095) 6.879 95.526 ( -8.088 0.886 -5.157) 9.633 95.610 ( 8.378 -1.531 -0.564) 8.535 95.855 ( -6.351 -2.771 1.907) 7.187 96.014 ( -0.802 -1.245 -3.077) 3.415 96.604 ( 2.984 1.114 0.774) 3.278 96.640 ( 0.603 -1.439 -0.956) 1.830 96.785 ( 2.108 -0.206 -3.003) 3.675 96.953 ( -6.320 0.323 4.910) 8.009 97.300 ( -3.450 0.637 2.077) 4.077 97.460 ( -13.882 2.547 12.104) 18.593 99.235 ( 14.692 0.596 8.093) 16.784 100.010 ( -5.287 -0.305 -3.126) 6.150 100.850 ( -20.785 0.446 -0.858) 20.808 101.004 ( -10.570 -0.286 -3.299) 11.076 104.188 ( 15.876 0.901 -0.512) 15.910 104.384 ( 10.010 4.903 -5.653) 12.498 ======================= Grid point 97 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 25.995 -9.550 2.574) 27.813 2.059 ( 19.390 -3.461 -5.996) 20.589 2.363 ( -10.770 0.247 -6.279) 12.469 2.559 ( -8.819 2.502 1.064) 9.229 2.679 ( 7.544 1.300 -1.154) 7.742 2.788 ( -7.283 2.323 -4.198) 8.721 3.002 ( -6.294 2.247 -11.944) 13.687 3.106 ( 1.697 3.966 -6.452) 7.761 3.343 ( 3.843 -3.383 0.581) 5.153 3.398 ( 5.317 -0.642 -2.713) 6.004 3.530 ( -4.298 2.448 -3.739) 6.201 3.612 ( 4.223 -1.297 4.196) 6.093 3.869 ( 5.250 -5.703 2.597) 8.175 3.938 ( 9.091 -0.186 -0.624) 9.114 4.147 ( 5.045 -0.017 -2.526) 5.642 4.255 ( -0.165 -2.613 -3.944) 4.734 4.351 ( 8.747 -1.747 -2.458) 9.252 4.568 ( -5.338 4.174 13.093) 14.742 4.670 ( 0.180 -0.920 11.085) 11.124 4.763 ( 4.231 1.150 0.596) 4.425 4.802 ( -7.465 5.333 -1.196) 9.252 4.948 ( -2.019 -2.905 4.588) 5.794 5.169 ( -3.107 -2.454 -5.217) 6.549 5.510 ( -6.109 3.462 4.236) 8.200 5.677 ( -3.284 0.694 -4.991) 6.015 5.837 ( 2.721 2.284 -8.787) 9.478 5.998 ( -2.466 3.955 1.687) 4.956 6.154 ( 8.183 -0.348 -0.593) 8.212 6.274 ( -0.633 2.736 6.697) 7.262 6.397 ( -4.533 -1.462 -1.591) 5.022 6.579 ( -4.404 -6.055 2.211) 7.807 6.734 ( 0.032 1.569 -1.653) 2.279 6.866 ( -0.075 -0.524 -9.039) 9.054 6.915 ( -1.242 1.336 -3.615) 4.049 7.037 ( 3.738 -1.463 -3.568) 5.370 7.062 ( -1.074 -3.640 -3.164) 4.941 7.205 ( 2.791 2.132 1.512) 3.824 7.323 ( 0.793 2.057 0.476) 2.256 7.605 ( 0.905 0.442 0.469) 1.111 7.697 ( -2.693 -0.944 -0.989) 3.021 7.823 ( 1.899 -1.457 2.918) 3.774 8.014 ( -6.645 0.947 -0.907) 6.773 8.169 ( -1.896 0.362 5.354) 5.691 8.356 ( -4.035 -0.018 1.181) 4.205 8.415 ( 0.627 -0.471 1.757) 1.924 8.555 ( -2.131 -1.671 -2.064) 3.405 8.658 ( 2.583 0.850 2.925) 3.994 8.810 ( 1.461 -0.294 -2.290) 2.733 13.962 ( -5.103 0.322 -0.320) 5.123 13.996 ( -3.614 -0.485 -0.879) 3.751 14.593 ( 1.998 -0.122 1.130) 2.299 14.975 ( -1.030 0.890 -6.041) 6.193 16.684 ( 9.145 -1.940 10.231) 13.859 16.949 ( -6.204 1.873 7.636) 10.015 17.152 ( 10.666 -1.582 2.673) 11.110 17.449 ( -4.036 1.855 -0.166) 4.444 17.883 ( 19.826 -2.057 -5.783) 20.755 18.078 ( 6.552 -0.708 -3.619) 7.519 18.412 ( -1.465 1.998 -0.349) 2.502 18.635 ( -15.751 4.391 -1.793) 16.450 18.981 ( 2.675 -0.489 0.573) 2.779 19.141 ( -6.878 -0.035 -10.096) 12.216 19.719 ( -3.943 -0.233 4.414) 5.923 20.046 ( 4.393 -1.076 -7.953) 9.149 20.784 ( 5.181 1.779 -5.755) 7.945 20.812 ( -7.368 -1.547 -0.946) 7.588 21.111 ( 3.209 -0.698 -3.012) 4.457 21.167 ( 6.148 2.418 -4.724) 8.122 21.535 ( -1.641 -0.320 19.106) 19.179 21.557 ( 1.762 0.477 5.487) 5.782 21.669 ( -10.407 -0.740 1.720) 10.574 21.738 ( -10.740 0.428 11.465) 15.715 22.710 ( 17.648 1.175 -4.192) 18.177 22.963 ( -16.704 -1.022 -6.817) 18.070 23.971 ( 4.214 -0.347 3.675) 5.603 24.068 ( -2.186 0.308 1.574) 2.711 24.654 ( 2.399 -0.699 -0.647) 2.581 24.823 ( -10.482 0.638 -3.100) 10.950 44.766 ( 6.384 -1.115 3.341) 7.291 44.948 ( -6.455 1.043 1.607) 6.733 45.276 ( 3.350 0.901 -1.970) 3.989 45.335 ( -2.639 -1.298 -2.153) 3.645 45.711 ( 2.244 -0.168 -1.580) 2.749 45.767 ( 0.122 0.555 -2.507) 2.571 47.313 ( 6.562 0.721 4.063) 7.751 47.380 ( -5.639 -0.823 4.223) 7.092 47.784 ( 10.354 1.405 -2.477) 10.739 47.866 ( -9.504 -1.680 -2.628) 10.003 94.816 ( 0.643 0.998 2.555) 2.818 94.846 ( 0.782 -0.131 2.206) 2.344 95.133 ( 5.444 -1.528 -1.044) 5.750 95.350 ( -9.341 0.960 -5.804) 11.039 95.556 ( 0.961 2.584 1.282) 3.041 95.764 ( 4.632 -0.857 0.459) 4.733 95.834 ( 2.710 -4.363 -0.909) 5.215 95.995 ( -1.120 0.489 -3.456) 3.666 96.617 ( -0.165 0.367 -1.860) 1.903 96.688 ( 2.995 -1.170 -0.234) 3.224 96.811 ( 0.394 0.333 -2.191) 2.251 96.857 ( -3.965 0.317 6.638) 7.738 97.225 ( -3.926 0.655 4.136) 5.740 97.269 ( -5.493 1.709 10.311) 11.807 99.518 ( 17.140 0.002 0.895) 17.164 99.842 ( -13.908 0.307 -3.395) 14.320 100.620 ( -5.372 -0.235 1.185) 5.506 100.864 ( -4.792 0.213 -2.609) 5.460 104.346 ( 2.637 0.007 -0.405) 2.667 104.444 ( 1.348 3.696 -2.411) 4.614 ======================= Grid point 98 (34/100) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -15.299 4.421 -11.722) 19.774 2.266 ( 1.911 -3.812 3.527) 5.534 2.321 ( 10.732 0.652 2.481) 11.034 2.431 ( 3.903 1.124 -0.763) 4.133 2.671 ( -3.421 -2.201 2.511) 4.781 2.749 ( 1.116 5.685 -3.682) 6.865 2.935 ( 4.325 -0.361 -11.613) 12.397 3.108 ( 1.697 3.338 -9.171) 9.906 3.370 ( -2.830 -2.108 -0.638) 3.586 3.419 ( -0.714 2.693 -4.373) 5.184 3.511 ( 1.798 -0.848 -1.835) 2.705 3.673 ( 1.081 0.739 2.089) 2.466 3.912 ( -5.772 -2.316 -1.776) 6.468 3.982 ( 1.026 1.341 -0.787) 1.863 4.236 ( 2.273 1.620 5.382) 6.063 4.284 ( -5.474 -3.462 -5.529) 8.516 4.367 ( -8.871 2.658 11.389) 14.679 4.546 ( 2.580 3.641 -5.259) 6.897 4.645 ( 5.167 1.836 4.335) 6.990 4.683 ( -1.664 -4.135 2.117) 4.934 4.757 ( -2.832 1.418 2.536) 4.057 4.985 ( 3.009 -1.534 2.163) 4.010 5.164 ( -0.355 -3.202 -2.560) 4.115 5.407 ( -2.371 -0.646 4.421) 5.058 5.599 ( -6.773 -3.233 -4.972) 9.002 5.849 ( -0.482 3.471 -7.288) 8.087 5.928 ( 0.715 1.480 -3.350) 3.731 6.168 ( -6.219 0.946 2.934) 6.941 6.228 ( -1.146 -0.480 11.412) 11.480 6.436 ( 5.324 -0.741 -5.221) 7.494 6.594 ( -0.748 -4.876 4.064) 6.391 6.735 ( 1.809 2.423 -1.631) 3.436 6.858 ( -3.430 -1.210 -9.788) 10.442 6.882 ( 0.017 -1.089 -6.829) 6.915 7.059 ( -2.645 -4.419 -1.719) 5.429 7.098 ( 0.872 0.499 0.769) 1.265 7.175 ( -3.146 2.209 -2.736) 4.718 7.272 ( -4.622 -0.023 1.029) 4.735 7.620 ( 1.724 1.236 1.901) 2.849 7.701 ( 1.812 -1.017 -0.014) 2.078 7.896 ( 3.761 1.697 0.774) 4.198 7.977 ( 5.117 -0.486 -0.138) 5.142 8.166 ( 1.982 0.250 5.893) 6.222 8.363 ( 4.705 0.370 1.170) 4.862 8.418 ( -0.787 -0.373 1.133) 1.429 8.582 ( 2.457 -0.926 -1.892) 3.237 8.685 ( 3.052 2.813 2.601) 4.898 8.817 ( -0.451 -0.126 -1.969) 2.024 13.952 ( 3.973 -0.182 -0.023) 3.978 14.015 ( 5.620 0.411 -1.190) 5.760 14.600 ( -1.113 0.233 0.993) 1.509 14.936 ( -3.382 -0.914 -4.978) 6.087 16.772 ( -10.136 2.085 8.774) 13.567 16.848 ( 5.270 -2.889 9.493) 11.236 17.255 ( -4.008 3.336 1.600) 5.454 17.373 ( 1.346 -1.560 1.032) 2.304 17.987 ( -15.644 2.440 -8.232) 17.845 18.098 ( -4.069 0.108 -5.961) 7.219 18.363 ( -3.593 0.742 1.354) 3.911 18.484 ( 7.912 -2.968 2.040) 8.693 18.982 ( -3.222 0.162 -0.621) 3.285 19.100 ( 1.173 -2.689 -9.308) 9.759 19.641 ( -7.713 -4.144 5.097) 10.132 20.067 ( -2.364 -0.737 -12.146) 12.396 20.697 ( -5.903 -1.556 2.718) 6.682 20.888 ( 7.101 1.666 -5.713) 9.265 21.094 ( -6.632 -0.996 -5.798) 8.865 21.164 ( -3.442 1.971 -2.079) 4.479 21.525 ( 0.463 -0.336 6.468) 6.493 21.586 ( 1.597 1.671 19.015) 19.155 21.701 ( 9.557 -1.343 11.397) 14.935 21.715 ( 12.645 1.237 0.127) 12.705 22.658 ( -18.028 -1.278 -4.096) 18.531 23.010 ( 16.482 1.171 -6.747) 17.848 23.994 ( -3.274 0.851 3.302) 4.727 24.048 ( 1.473 -0.794 1.983) 2.595 24.693 ( -2.221 1.195 -1.238) 2.810 24.792 ( 11.241 -0.853 -2.429) 11.532 44.823 ( -6.332 1.536 2.931) 7.145 44.896 ( 6.979 -1.387 2.263) 7.466 45.256 ( -3.230 -0.211 -1.462) 3.551 45.372 ( 4.276 0.559 -2.965) 5.234 45.718 ( -1.587 0.041 -1.792) 2.394 45.748 ( -1.824 -0.111 -2.335) 2.966 47.277 ( -6.548 -0.943 3.805) 7.631 47.418 ( 5.841 0.958 4.403) 7.377 47.712 ( -9.683 -1.951 -1.957) 10.069 47.948 ( 10.048 2.168 -2.983) 10.703 94.740 ( -6.145 -1.852 2.332) 6.829 94.914 ( 4.576 2.575 1.952) 5.601 95.187 ( -6.130 1.055 -3.978) 7.383 95.279 ( 6.954 -2.792 -2.567) 7.920 95.497 ( -5.468 -0.394 2.846) 6.176 95.810 ( -1.385 0.999 -0.815) 1.892 95.865 ( -1.287 -1.738 -1.373) 2.562 96.065 ( 10.245 3.026 -4.952) 11.774 96.601 ( -1.741 -0.658 -2.890) 3.437 96.730 ( -0.055 0.627 -6.642) 6.671 96.799 ( -0.155 0.173 7.012) 7.016 96.838 ( 2.440 -0.628 7.037) 7.474 97.170 ( -2.152 -1.454 7.384) 7.827 97.234 ( 1.769 -0.062 6.670) 6.901 99.535 ( -17.592 0.930 0.219) 17.617 99.820 ( 14.245 -0.767 -3.646) 14.724 100.631 ( 5.859 0.266 1.188) 5.984 100.859 ( 4.762 -0.009 -2.314) 5.295 104.287 ( -10.398 -2.814 -0.274) 10.776 104.368 ( -7.863 0.503 -1.605) 8.041 ======================= Grid point 99 (35/100) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -17.837 9.144 -6.177) 20.974 1.996 ( -14.561 12.595 6.150) 20.211 2.494 ( 5.068 -1.382 0.013) 5.253 2.523 ( -1.143 -2.239 0.895) 2.669 2.691 ( 0.121 1.418 -10.759) 10.853 2.751 ( 3.231 -1.267 4.139) 5.402 3.042 ( 2.556 0.688 -13.427) 13.685 3.126 ( 5.110 2.377 -5.894) 8.155 3.262 ( -10.893 2.112 -2.543) 11.383 3.413 ( 0.628 2.134 0.793) 2.361 3.498 ( -3.998 -0.171 1.897) 4.428 3.614 ( -1.977 5.137 2.895) 6.220 3.814 ( -6.254 -2.480 -6.909) 9.644 3.894 ( -8.051 7.545 3.061) 11.451 4.024 ( -5.615 -1.240 -7.978) 9.835 4.277 ( 2.173 1.412 0.102) 2.594 4.378 ( -2.943 -5.741 9.642) 11.602 4.473 ( -0.428 5.943 7.831) 9.840 4.670 ( -2.713 -3.343 2.423) 4.941 4.720 ( 1.426 -1.479 6.217) 6.548 4.793 ( 3.243 -0.484 -0.874) 3.393 5.047 ( 4.050 0.606 -0.756) 4.164 5.206 ( 1.422 -4.266 -2.798) 5.296 5.446 ( 0.552 -4.890 -0.653) 4.964 5.511 ( -5.125 -4.981 -5.933) 9.289 5.798 ( -0.794 2.503 -4.143) 4.905 5.957 ( -0.702 -1.047 -3.966) 4.161 6.031 ( -7.595 -0.197 -2.386) 7.964 6.192 ( -3.610 -0.922 8.641) 9.410 6.508 ( 1.245 -0.103 -4.032) 4.221 6.577 ( -7.978 -5.460 4.881) 10.830 6.720 ( -0.703 0.193 -5.403) 5.452 6.855 ( -2.583 -4.097 -8.220) 9.541 6.911 ( 3.361 -0.066 -4.850) 5.901 7.007 ( -2.013 3.037 -3.460) 5.025 7.085 ( 0.489 -2.418 3.643) 4.400 7.144 ( 0.526 1.253 0.862) 1.609 7.214 ( -1.471 -1.145 3.337) 3.822 7.646 ( 2.614 1.093 1.246) 3.095 7.778 ( 5.877 -0.946 -0.095) 5.953 7.942 ( 5.413 4.505 2.561) 7.493 8.136 ( 9.660 -1.155 -1.165) 9.799 8.221 ( 4.268 0.092 4.244) 6.020 8.386 ( -2.818 -0.421 -0.004) 2.850 8.485 ( 6.843 0.341 1.755) 7.073 8.576 ( -3.004 -1.043 1.223) 3.407 8.697 ( -1.888 2.727 0.100) 3.318 8.880 ( 11.620 3.385 -3.790) 12.682 14.096 ( 11.782 -0.355 0.511) 11.798 14.186 ( 14.485 0.859 -1.713) 14.612 14.550 ( -3.955 0.817 1.151) 4.200 14.874 ( -5.902 -3.425 -5.239) 8.603 16.544 ( -13.322 1.263 9.388) 16.346 16.916 ( -2.139 -2.097 9.553) 10.011 17.066 ( -9.589 4.706 3.500) 11.241 17.406 ( -3.957 -1.594 -4.495) 6.197 17.644 ( -15.089 3.392 -1.647) 15.553 17.862 ( -17.800 0.306 0.507) 17.810 18.296 ( -4.893 -3.926 -1.796) 6.525 18.739 ( 10.909 -3.340 -4.173) 12.149 18.932 ( -2.415 -1.516 0.522) 2.899 19.152 ( -0.193 -5.233 -7.604) 9.232 19.526 ( -10.905 -8.008 5.503) 14.605 20.002 ( -4.959 -0.972 -15.197) 16.015 20.636 ( -2.077 -0.098 7.165) 7.461 20.952 ( -1.658 0.290 -5.333) 5.592 20.956 ( -7.077 -1.305 -4.790) 8.645 21.086 ( -0.485 2.365 -3.153) 3.971 21.659 ( 13.375 -0.079 7.940) 15.554 21.673 ( 8.968 1.413 18.949) 21.012 21.906 ( 10.131 -1.448 4.738) 11.278 21.946 ( 13.949 2.153 -2.180) 14.282 22.368 ( -15.387 -1.562 0.505) 15.474 23.258 ( 12.568 1.319 -9.500) 15.810 23.904 ( -5.334 0.867 5.812) 7.936 24.075 ( 0.415 -0.700 0.729) 1.092 24.723 ( 6.668 0.911 0.935) 6.795 25.039 ( 15.193 -0.323 -3.363) 15.564 44.706 ( -5.249 1.671 3.921) 6.761 45.025 ( 6.163 -1.147 0.507) 6.289 45.210 ( -1.744 -0.265 -0.570) 1.853 45.427 ( 2.471 1.539 -2.596) 3.901 45.651 ( -5.409 0.633 -1.920) 5.774 45.721 ( -1.657 -1.355 -3.229) 3.874 47.171 ( -6.484 -1.103 3.378) 7.393 47.484 ( 0.739 0.385 1.502) 1.717 47.582 ( -4.929 -0.980 2.069) 5.434 48.090 ( 8.497 2.762 -3.200) 9.490 94.654 ( -5.656 -2.275 1.568) 6.294 94.921 ( -2.053 1.565 -1.475) 2.973 95.120 ( 0.733 1.782 0.285) 1.948 95.395 ( -6.843 -1.719 3.460) 7.859 95.442 ( 7.502 -3.724 -2.513) 8.744 95.680 ( -8.441 2.093 -1.710) 8.863 95.908 ( 2.594 -0.359 -1.296) 2.922 96.199 ( 9.233 6.830 -5.198) 12.606 96.570 ( -2.539 -0.888 -2.824) 3.900 96.698 ( -1.401 1.466 -2.801) 3.458 96.796 ( -0.552 0.096 1.851) 1.934 96.929 ( 6.050 -0.596 6.613) 8.983 97.206 ( 2.757 -5.231 9.695) 11.356 97.305 ( 5.134 -2.745 7.136) 9.209 99.218 ( -17.146 0.370 5.777) 18.097 100.022 ( 8.077 0.027 -4.963) 9.480 100.817 ( 14.564 -1.011 0.270) 14.602 101.033 ( 15.706 1.129 -2.871) 16.007 104.046 ( -21.774 -6.832 -0.286) 22.822 104.157 ( -17.510 -2.911 -1.959) 17.858 ======================= Grid point 100 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -17.461 12.081 0.543) 21.240 1.609 ( -11.574 21.477 8.369) 25.793 2.389 ( -16.432 13.588 9.249) 23.242 2.561 ( -9.629 -7.499 5.785) 13.507 2.620 ( 4.702 -4.051 -2.967) 6.880 2.769 ( -0.799 -0.335 -4.003) 4.096 2.954 ( -9.596 6.894 -12.644) 17.306 3.033 ( -5.454 -1.781 -10.241) 11.738 3.211 ( 4.209 1.844 -5.531) 7.191 3.276 ( -8.478 4.318 -3.482) 10.132 3.530 ( 3.965 -2.430 9.629) 10.693 3.610 ( -2.207 1.640 -5.539) 6.184 3.734 ( 3.861 1.998 -8.860) 9.869 3.837 ( 4.324 0.732 1.868) 4.767 4.002 ( -2.210 -1.865 -5.252) 5.996 4.272 ( -0.928 1.205 -0.667) 1.660 4.330 ( -3.963 0.270 2.237) 4.559 4.432 ( -0.862 1.920 11.774) 11.961 4.660 ( -1.661 -1.475 4.927) 5.405 4.780 ( -0.697 1.677 6.747) 6.987 4.810 ( 3.978 -2.660 7.944) 9.274 5.135 ( 6.100 -0.245 -2.026) 6.432 5.292 ( 4.190 -3.798 -4.343) 7.130 5.366 ( -7.550 -1.437 -6.103) 9.814 5.577 ( -0.498 -6.240 -7.868) 10.055 5.775 ( -2.756 0.745 -2.276) 3.651 5.846 ( -5.704 2.259 -0.640) 6.169 5.986 ( -1.734 -5.481 -3.567) 6.766 6.145 ( -2.540 -2.385 2.586) 4.339 6.431 ( -8.632 -1.050 -2.672) 9.096 6.483 ( -8.029 -5.904 0.906) 10.007 6.723 ( -0.728 1.322 -2.319) 2.767 6.813 ( -5.722 -5.982 -6.629) 10.605 6.846 ( -5.260 0.864 -7.577) 9.264 7.096 ( 4.627 -0.366 0.528) 4.671 7.141 ( 3.392 -0.040 1.549) 3.729 7.190 ( 9.206 0.598 5.024) 10.504 7.273 ( 8.150 0.640 4.026) 9.112 7.693 ( 3.052 -0.113 1.286) 3.314 7.902 ( 6.810 -0.081 -0.737) 6.850 7.990 ( 4.727 5.219 3.734) 7.970 8.267 ( 2.979 0.828 -1.854) 3.605 8.319 ( -1.100 -0.971 0.836) 1.689 8.339 ( 5.369 -1.409 0.975) 5.636 8.447 ( -7.034 -0.176 3.385) 7.808 8.563 ( -7.117 0.198 -1.977) 7.389 8.682 ( 7.020 0.565 2.280) 7.403 9.093 ( 16.124 6.634 -6.151) 18.488 14.350 ( 13.738 -0.414 0.609) 13.758 14.408 ( 2.365 1.142 -0.697) 2.717 14.551 ( 16.265 0.011 0.479) 16.272 14.788 ( -7.955 -4.943 -6.394) 11.340 16.301 ( -13.404 -0.949 12.579) 18.406 16.774 ( -12.024 1.554 7.686) 14.355 16.872 ( -11.318 2.354 8.429) 14.307 17.200 ( -13.465 2.473 -7.790) 15.751 17.500 ( -7.120 -0.471 0.169) 7.137 17.562 ( -12.295 -0.103 0.303) 12.299 18.299 ( 0.149 -7.846 -2.028) 8.105 18.835 ( -1.791 -1.504 -0.008) 2.338 18.891 ( -6.965 -4.205 3.116) 8.713 19.183 ( -4.441 -8.623 -6.118) 11.467 19.439 ( -5.775 -7.340 -3.698) 10.045 19.938 ( -4.285 -3.257 -12.981) 14.053 20.614 ( -0.123 1.335 10.881) 10.964 20.879 ( -4.378 -0.432 -5.072) 6.714 20.909 ( 1.178 -1.337 -3.194) 3.657 21.099 ( 2.495 2.059 -4.409) 5.468 21.768 ( 0.386 -0.182 10.129) 10.138 21.961 ( 13.888 -0.645 4.906) 14.744 22.006 ( 2.222 -1.498 2.376) 3.581 22.109 ( 6.702 0.705 3.132) 7.431 22.268 ( 7.016 2.150 5.542) 9.195 23.403 ( 4.431 1.178 -11.747) 12.610 23.816 ( -3.041 0.740 8.210) 8.786 24.075 ( -0.963 -0.568 -0.155) 1.129 24.883 ( 11.003 0.075 2.491) 11.282 25.296 ( 13.467 0.356 -3.633) 13.953 44.614 ( -3.581 1.480 4.693) 6.085 45.115 ( 3.199 -0.161 -2.480) 4.051 45.215 ( 2.077 -0.462 1.541) 2.627 45.424 ( -0.932 1.481 -1.826) 2.529 45.530 ( -7.440 0.687 -1.799) 7.685 45.722 ( 0.293 -1.405 -4.762) 4.974 47.077 ( -5.276 -1.217 3.104) 6.241 47.411 ( -6.426 -1.542 -2.627) 7.111 47.587 ( 2.727 1.450 7.233) 7.865 48.193 ( 6.076 3.027 -3.288) 7.543 94.587 ( -4.249 -2.341 1.015) 4.956 94.851 ( -3.763 0.680 -4.079) 5.591 95.143 ( 2.260 1.565 3.920) 4.788 95.298 ( -5.857 -2.555 3.967) 7.521 95.504 ( -7.092 2.423 -1.651) 7.674 95.607 ( 5.388 -3.996 -2.735) 7.244 95.945 ( 1.441 0.073 -2.633) 3.002 96.266 ( 6.621 8.536 -3.560) 11.375 96.526 ( -3.191 -0.181 -3.421) 4.682 96.663 ( -1.158 1.377 -1.847) 2.578 96.780 ( -0.325 1.048 2.328) 2.574 97.046 ( 6.362 -1.235 5.495) 8.497 97.289 ( 1.099 -3.391 2.990) 4.653 97.509 ( 11.470 -10.678 15.864) 22.298 98.949 ( -13.481 -1.284 14.193) 19.618 100.127 ( 5.721 1.431 -4.040) 7.148 101.110 ( 15.536 -2.686 -0.547) 15.776 101.396 ( 27.697 2.365 -3.822) 28.059 103.655 ( -31.232 -10.023 -0.783) 32.810 103.804 ( -27.694 -6.128 -3.181) 28.542 ======================= Grid point 101 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -12.253 12.674 14.661) 22.928 1.226 ( -6.647 28.038 11.994) 31.211 1.810 ( -23.385 22.559 32.411) 45.894 2.506 ( -7.732 -11.699 -0.728) 14.042 2.736 ( -4.883 2.750 -12.974) 14.132 2.763 ( 2.854 -3.504 -7.196) 8.498 2.773 ( -0.700 2.743 -12.772) 13.082 2.965 ( -4.816 -4.849 -7.086) 9.845 3.125 ( -3.999 2.358 -6.438) 7.937 3.292 ( 5.630 0.539 2.445) 6.162 3.480 ( -5.295 2.882 -18.360) 19.324 3.626 ( 3.985 1.060 16.390) 16.901 3.820 ( 3.281 0.837 1.675) 3.778 3.931 ( -6.284 0.176 -2.334) 6.706 3.984 ( 10.848 1.186 -8.671) 13.938 4.258 ( -0.510 -1.330 -2.648) 3.007 4.263 ( -2.300 0.230 -3.865) 4.503 4.405 ( -1.678 0.076 14.283) 14.382 4.613 ( -1.903 2.793 2.738) 4.350 4.743 ( -2.431 0.643 10.202) 10.507 4.901 ( 2.749 -2.554 11.905) 12.482 5.211 ( -1.103 2.662 -12.761) 13.082 5.298 ( 2.943 -2.356 1.144) 3.940 5.421 ( 6.891 -1.005 -5.549) 8.905 5.570 ( -2.360 -2.670 -9.018) 9.696 5.645 ( -6.403 2.426 -1.430) 6.995 5.763 ( -5.479 -0.146 -1.162) 5.603 6.097 ( 5.701 -6.468 -2.195) 8.897 6.154 ( 1.130 -3.221 -2.799) 4.415 6.310 ( -6.791 -2.946 -2.321) 7.757 6.392 ( -5.964 -3.844 -0.052) 7.095 6.598 ( -8.811 3.231 2.872) 9.814 6.752 ( -5.371 -1.400 -1.906) 5.869 6.840 ( 1.516 -3.828 -12.011) 12.697 7.115 ( 0.433 0.882 0.194) 1.002 7.268 ( 7.972 -4.196 6.455) 11.082 7.380 ( 11.522 0.927 1.479) 11.654 7.446 ( 10.662 0.567 2.079) 10.878 7.740 ( 0.664 -1.821 2.311) 3.017 7.977 ( 2.661 3.048 0.302) 4.057 8.022 ( 2.783 2.875 2.026) 4.485 8.176 ( -7.302 1.095 -1.147) 7.472 8.303 ( -5.117 0.596 4.720) 6.987 8.344 ( -8.287 -1.901 -0.466) 8.515 8.417 ( -0.933 0.091 -2.096) 2.296 8.480 ( 4.336 -1.078 1.197) 4.626 8.798 ( 5.007 -0.809 2.795) 5.791 9.286 ( 12.841 9.127 -10.266) 18.804 14.295 ( -5.213 0.754 0.248) 5.273 14.618 ( -12.333 -5.364 -9.232) 16.313 14.687 ( 17.135 0.023 4.056) 17.608 14.981 ( 24.121 -0.056 -0.756) 24.133 16.155 ( -5.206 -8.141 21.083) 23.192 16.491 ( -18.298 0.565 9.096) 20.442 16.659 ( -7.266 3.662 9.049) 12.169 16.999 ( -6.667 2.679 -5.078) 8.798 17.284 ( -12.390 -1.191 -2.446) 12.685 17.495 ( -1.588 -0.317 -3.633) 3.978 18.436 ( 4.462 -10.273 -0.831) 11.231 18.662 ( -18.473 -7.030 1.796) 19.847 18.842 ( -2.591 -0.484 7.612) 8.056 19.116 ( -10.388 -8.268 3.791) 13.808 19.453 ( 1.029 -2.970 -19.785) 20.033 19.901 ( -4.948 -6.034 -7.239) 10.644 20.602 ( -0.110 0.799 14.561) 14.583 20.821 ( -2.267 -0.237 -5.511) 5.964 21.036 ( 10.655 -1.750 -1.698) 10.931 21.122 ( 2.292 1.197 -4.642) 5.313 21.620 ( -15.808 -3.224 -2.482) 16.324 22.009 ( 2.808 -0.626 14.443) 14.727 22.194 ( 4.659 1.375 4.615) 6.700 22.281 ( 12.572 -0.912 4.667) 13.441 22.405 ( 8.925 3.247 2.694) 9.872 23.386 ( -3.844 1.061 -9.300) 10.119 23.802 ( 1.313 0.484 6.118) 6.276 24.059 ( -1.140 -0.473 -0.730) 1.434 25.064 ( 8.262 -0.525 2.796) 8.738 25.482 ( 7.839 0.790 -3.378) 8.572 44.555 ( -1.744 1.140 5.198) 5.600 45.164 ( 3.346 0.459 -3.068) 4.563 45.263 ( 1.880 -0.191 0.589) 1.980 45.383 ( -3.546 0.712 -1.747) 4.017 45.398 ( -4.937 0.582 -0.592) 5.007 45.745 ( 0.843 -0.910 -5.674) 5.808 47.014 ( -2.990 -1.188 2.955) 4.369 47.332 ( -3.808 -1.342 -2.267) 4.631 47.612 ( 1.572 1.592 7.608) 7.930 48.247 ( 3.138 2.835 -3.314) 5.372 94.549 ( -2.282 -2.115 0.657) 3.180 94.794 ( -2.141 0.329 -4.645) 5.125 95.129 ( -3.284 -0.053 3.079) 4.502 95.266 ( -0.265 -2.572 6.319) 6.828 95.368 ( -5.265 2.338 -0.607) 5.793 95.725 ( 3.299 -4.109 -3.760) 6.473 95.961 ( 0.603 0.009 -2.581) 2.650 96.291 ( 5.253 8.444 -2.470) 10.247 96.453 ( -4.632 1.516 -3.318) 5.896 96.635 ( -0.703 1.007 -1.538) 1.968 96.776 ( 0.837 0.827 3.884) 4.058 97.168 ( 5.726 -1.878 4.580) 7.569 97.308 ( -1.577 -2.206 1.451) 3.075 97.874 ( 14.162 -19.414 18.003) 30.026 98.810 ( -5.361 -9.519 32.287) 34.085 100.224 ( 8.223 2.795 -3.608) 9.405 101.384 ( 14.000 -0.691 1.290) 14.076 101.943 ( 35.543 0.657 -4.010) 35.774 103.135 ( -38.671 -10.659 -1.931) 40.160 103.282 ( -38.733 -6.290 -4.588) 39.508 ======================= Grid point 102 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 9.244 28.057) 29.541 0.895 ( 0.000 32.931 14.014) 35.789 1.357 ( 0.000 19.866 48.810) 52.698 2.513 ( -0.000 -8.692 -4.259) 9.679 2.649 ( 0.000 0.474 -7.629) 7.643 2.735 ( 0.000 3.623 -21.382) 21.686 2.799 ( -0.000 -0.042 -6.734) 6.734 3.006 ( -0.000 -7.557 -1.495) 7.703 3.067 ( 0.000 2.233 -7.295) 7.629 3.372 ( 0.000 5.058 -23.108) 23.655 3.407 ( -0.000 -4.734 9.649) 10.747 3.637 ( 0.000 5.329 16.169) 17.025 3.833 ( 0.000 1.217 -1.854) 2.218 3.853 ( -0.000 -2.085 3.241) 3.853 4.059 ( 0.000 4.956 -15.483) 16.257 4.265 ( -0.000 -2.629 -5.705) 6.281 4.320 ( -0.000 -8.029 -3.146) 8.624 4.346 ( 0.000 1.884 19.418) 19.510 4.572 ( 0.000 5.232 -0.374) 5.245 4.699 ( 0.000 0.148 11.645) 11.646 4.950 ( -0.000 -2.976 14.802) 15.098 5.149 ( 0.000 3.436 -13.623) 14.050 5.407 ( -0.000 -4.755 2.070) 5.186 5.446 ( 0.000 1.190 -11.690) 11.751 5.561 ( 0.000 2.205 1.218) 2.519 5.617 ( 0.000 6.687 -17.755) 18.973 5.656 ( 0.000 0.244 4.360) 4.367 6.176 ( 0.000 0.720 -4.441) 4.499 6.233 ( -0.000 -5.606 -4.932) 7.467 6.261 ( -0.000 -3.130 -2.087) 3.762 6.394 ( -0.000 -0.496 -0.037) 0.498 6.457 ( -0.000 -1.353 9.254) 9.353 6.693 ( 0.000 1.785 1.085) 2.089 6.890 ( -0.000 -2.619 -14.004) 14.247 7.111 ( 0.000 0.758 -0.644) 0.995 7.432 ( -0.000 -6.425 1.729) 6.653 7.532 ( -0.000 -1.679 -3.758) 4.116 7.581 ( -0.000 -2.540 1.763) 3.092 7.722 ( -0.000 -0.302 4.641) 4.650 7.961 ( -0.000 -1.699 -0.986) 1.964 8.045 ( 0.000 0.979 1.181) 1.534 8.092 ( 0.000 2.596 7.616) 8.047 8.160 ( 0.000 3.953 -1.037) 4.087 8.249 ( -0.000 -0.114 7.114) 7.115 8.437 ( -0.000 -0.316 -2.608) 2.627 8.536 ( -0.000 -0.978 1.693) 1.955 8.861 ( -0.000 -3.126 3.416) 4.631 9.321 ( 0.000 12.329 -14.511) 19.042 14.240 ( 0.000 0.434 0.817) 0.925 14.488 ( -0.000 -1.468 -3.647) 3.931 14.865 ( 0.000 0.060 3.640) 3.641 15.263 ( -0.000 -0.756 -2.609) 2.717 16.178 ( -0.000 -5.808 11.074) 12.505 16.446 ( -0.000 -20.691 24.819) 32.313 16.550 ( 0.000 3.199 7.905) 8.528 16.918 ( 0.000 2.107 -3.813) 4.356 17.141 ( 0.000 0.679 -7.303) 7.335 17.484 ( -0.000 -0.296 -4.882) 4.891 18.376 ( -0.000 -0.139 11.846) 11.847 18.684 ( -0.000 -12.324 1.040) 12.367 18.788 ( 0.000 0.915 4.735) 4.822 19.051 ( -0.000 -3.200 7.486) 8.142 19.512 ( -0.000 -7.467 -19.482) 20.864 19.886 ( -0.000 -3.694 -4.509) 5.829 20.606 ( -0.000 -2.892 15.596) 15.862 20.804 ( -0.000 -0.128 -5.770) 5.771 21.116 ( 0.000 0.346 -4.842) 4.855 21.292 ( -0.000 -4.802 7.868) 9.217 21.387 ( -0.000 -1.562 -9.426) 9.554 22.050 ( -0.000 -2.328 13.997) 14.190 22.224 ( 0.000 2.106 5.566) 5.951 22.390 ( -0.000 -0.138 4.196) 4.198 22.482 ( 0.000 1.870 1.964) 2.711 23.327 ( 0.000 0.909 -7.401) 7.456 23.815 ( 0.000 0.324 4.364) 4.376 24.051 ( -0.000 -0.451 -0.976) 1.076 25.146 ( 0.000 0.014 2.210) 2.210 25.546 ( 0.000 0.579 -2.930) 2.986 44.532 ( 0.000 0.794 5.358) 5.417 45.223 ( -0.000 -0.049 -1.195) 1.196 45.245 ( 0.000 1.238 -5.843) 5.973 45.327 ( -0.000 -0.600 3.463) 3.515 45.369 ( 0.000 0.594 -1.403) 1.523 45.760 ( -0.000 -0.524 -5.926) 5.949 46.997 ( -0.000 -0.904 2.888) 3.026 47.308 ( -0.000 -0.965 -2.094) 2.306 47.613 ( 0.000 1.249 7.642) 7.744 48.252 ( 0.000 2.164 -3.296) 3.943 94.546 ( -0.000 -1.647 0.483) 1.717 94.772 ( 0.000 0.230 -4.458) 4.464 95.085 ( -0.000 -0.468 3.082) 3.117 95.285 ( 0.000 2.885 -1.106) 3.089 95.312 ( -0.000 -4.823 8.274) 9.578 95.789 ( -0.000 -3.594 -4.062) 5.423 95.971 ( -0.000 -1.366 -0.814) 1.590 96.275 ( 0.000 12.163 -6.693) 13.883 96.373 ( -0.000 -0.233 3.291) 3.299 96.622 ( 0.000 0.635 -1.412) 1.548 96.783 ( 0.000 0.346 3.849) 3.864 97.269 ( -0.000 -2.712 8.141) 8.581 97.277 ( -0.000 -0.367 -3.301) 3.321 98.200 ( -0.000 -14.473 -1.786) 14.583 99.073 ( -0.000 -51.680 60.967) 79.923 100.340 ( 0.000 0.177 -6.292) 6.294 101.580 ( -0.000 -1.900 8.289) 8.504 102.563 ( -0.000 -0.772 -6.490) 6.535 102.642 ( -0.000 -0.166 -0.012) 0.166 102.645 ( -0.000 -0.139 -0.058) 0.150 ======================= Grid point 105 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 29.118 0.000 4.473) 29.459 2.031 ( 20.777 0.000 -6.389) 21.737 2.366 ( -10.256 -0.000 -6.967) 12.398 2.578 ( -9.695 -0.000 2.658) 10.052 2.695 ( 9.879 0.000 -4.127) 10.706 2.809 ( -8.933 -0.000 -5.017) 10.245 3.022 ( -4.955 -0.000 -10.175) 11.318 3.163 ( -0.908 -0.000 -6.831) 6.891 3.297 ( 9.378 0.000 -0.038) 9.378 3.391 ( 3.634 0.000 -2.262) 4.280 3.580 ( 1.926 0.000 -0.793) 2.083 3.584 ( -4.499 -0.000 -0.730) 4.558 3.802 ( 5.703 0.000 7.181) 9.170 3.934 ( 14.199 0.000 -1.462) 14.274 4.160 ( 0.302 0.000 -5.535) 5.543 4.216 ( 1.074 0.000 -3.376) 3.543 4.342 ( 8.471 0.000 -2.820) 8.928 4.600 ( -4.822 -0.000 8.255) 9.560 4.663 ( -0.648 -0.000 17.473) 17.485 4.778 ( 7.059 0.000 -0.189) 7.061 4.874 ( -8.854 -0.000 0.229) 8.857 4.903 ( -1.320 -0.000 5.402) 5.560 5.138 ( -4.113 -0.000 -5.670) 7.005 5.545 ( -5.848 -0.000 4.711) 7.509 5.682 ( -7.808 -0.000 -6.143) 9.935 5.863 ( 2.669 0.000 -9.270) 9.646 6.041 ( -0.377 -0.000 6.267) 6.278 6.149 ( 9.631 0.000 -1.887) 9.814 6.310 ( 2.397 0.000 -2.647) 3.571 6.389 ( -13.338 -0.000 6.231) 14.722 6.500 ( -0.538 -0.000 0.168) 0.564 6.747 ( 0.161 0.000 -1.967) 1.974 6.860 ( -0.842 -0.000 -9.054) 9.093 6.947 ( -1.031 -0.000 0.336) 1.084 6.992 ( -2.351 -0.000 -5.044) 5.565 7.039 ( 3.604 0.000 -4.355) 5.653 7.225 ( 3.238 0.000 2.028) 3.821 7.343 ( -0.182 -0.000 0.267) 0.323 7.612 ( 2.126 0.000 -0.051) 2.126 7.686 ( -3.370 -0.000 -1.132) 3.555 7.809 ( 2.515 0.000 3.325) 4.169 8.023 ( -6.514 -0.000 -1.056) 6.599 8.173 ( -1.930 -0.000 4.882) 5.249 8.356 ( -3.731 -0.000 1.143) 3.902 8.410 ( 0.400 0.000 3.014) 3.041 8.539 ( -0.935 -0.000 -2.995) 3.138 8.666 ( 2.600 0.000 2.971) 3.948 8.807 ( 1.670 0.000 -2.264) 2.813 13.966 ( -5.817 -0.000 -0.454) 5.835 13.991 ( -2.738 -0.000 -0.742) 2.837 14.592 ( 2.141 0.000 1.147) 2.429 14.983 ( -1.879 -0.000 -6.275) 6.551 16.666 ( 8.937 0.000 10.481) 13.774 16.966 ( -6.422 -0.000 7.269) 9.700 17.138 ( 11.331 0.000 2.852) 11.684 17.467 ( -3.835 -0.000 -0.500) 3.868 17.864 ( 20.317 0.000 -5.443) 21.033 18.071 ( 6.503 0.000 -3.254) 7.272 18.432 ( -2.178 -0.000 -0.220) 2.189 18.681 ( -17.226 -0.000 -2.863) 17.463 18.973 ( 3.537 0.000 0.563) 3.581 19.140 ( -8.320 -0.000 -9.266) 12.453 19.713 ( -6.564 -0.000 4.204) 7.795 20.036 ( 5.227 0.000 -8.209) 9.732 20.796 ( -7.945 -0.000 0.681) 7.975 20.802 ( 5.376 0.000 -7.239) 9.017 21.105 ( 3.330 0.000 -3.360) 4.731 21.192 ( 5.733 0.000 -5.116) 7.684 21.532 ( -1.733 -0.000 21.517) 21.586 21.562 ( 2.131 0.000 3.640) 4.217 21.662 ( -10.197 -0.000 1.959) 10.383 21.742 ( -10.716 -0.000 11.283) 15.561 22.722 ( 17.802 0.000 -4.171) 18.284 22.953 ( -16.978 -0.000 -6.867) 18.314 23.968 ( 4.386 0.000 3.734) 5.760 24.071 ( -2.316 -0.000 1.514) 2.767 24.647 ( 2.442 0.000 -0.562) 2.506 24.829 ( -10.347 -0.000 -3.245) 10.844 44.756 ( 6.392 0.000 3.413) 7.246 44.958 ( -6.350 -0.000 1.475) 6.519 45.288 ( 4.780 0.000 -2.367) 5.334 45.320 ( -3.772 -0.000 -1.700) 4.138 45.709 ( 2.233 0.000 -1.535) 2.710 45.772 ( -0.040 -0.000 -2.539) 2.539 47.319 ( 6.671 0.000 4.099) 7.830 47.372 ( -5.698 -0.000 4.180) 7.067 47.797 ( 10.471 0.000 -2.554) 10.778 47.850 ( -9.407 -0.000 -2.558) 9.748 94.818 ( -5.144 -0.000 3.074) 5.992 94.854 ( 6.757 0.000 1.764) 6.984 95.117 ( 4.953 0.000 -0.397) 4.969 95.359 ( -9.753 -0.000 -6.379) 11.654 95.586 ( -1.067 -0.000 0.921) 1.409 95.765 ( 0.252 0.000 2.662) 2.674 95.774 ( 9.457 0.000 -2.265) 9.724 96.002 ( 0.249 0.000 -3.938) 3.946 96.621 ( -1.188 -0.000 -2.294) 2.583 96.676 ( 3.944 0.000 1.756) 4.317 96.814 ( 0.817 0.000 -3.615) 3.706 96.860 ( -4.267 -0.000 6.544) 7.812 97.230 ( -4.597 -0.000 3.473) 5.761 97.286 ( -6.603 -0.000 10.786) 12.647 99.519 ( 17.081 0.000 1.013) 17.111 99.844 ( -13.965 -0.000 -3.309) 14.351 100.618 ( -5.226 -0.000 1.193) 5.360 100.866 ( -4.863 -0.000 -2.670) 5.548 104.346 ( 1.673 0.000 -0.246) 1.691 104.480 ( -0.762 -0.000 -2.950) 3.047 ======================= Grid point 106 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -4.950 1.405 -6.818) 8.542 2.175 ( 6.958 -2.868 -2.450) 7.915 2.347 ( 11.028 0.902 1.368) 11.149 2.442 ( 0.441 -0.136 3.980) 4.007 2.641 ( -8.595 -0.899 1.599) 8.789 2.861 ( 2.772 5.489 -3.675) 7.164 2.923 ( 3.455 -1.571 -7.546) 8.447 3.164 ( 0.691 2.100 -12.451) 12.646 3.335 ( -2.645 -1.303 -0.047) 2.949 3.487 ( 5.256 0.261 -1.211) 5.400 3.504 ( -1.400 4.908 -6.738) 8.453 3.642 ( 2.708 -4.428 -1.911) 5.531 3.852 ( -3.691 -2.559 7.431) 8.683 4.034 ( -0.144 3.564 -4.697) 5.898 4.185 ( -0.227 -4.810 -3.117) 5.736 4.253 ( 4.679 0.381 2.773) 5.453 4.479 ( -7.794 5.995 8.407) 12.937 4.565 ( 11.671 -0.852 -7.179) 13.728 4.616 ( -5.946 -1.901 7.099) 9.453 4.694 ( -7.192 1.180 0.881) 7.341 4.786 ( -5.496 1.634 2.214) 6.146 4.951 ( 6.476 -1.412 2.307) 7.018 5.100 ( -1.926 -2.902 -0.806) 3.575 5.415 ( -6.194 0.940 5.462) 8.312 5.549 ( -7.594 -1.925 -6.869) 10.419 5.895 ( 1.499 1.246 -11.071) 11.241 5.979 ( -4.356 3.003 2.127) 5.702 6.191 ( -5.033 1.308 4.152) 6.654 6.215 ( -3.691 -0.880 11.209) 11.834 6.396 ( 4.027 -2.677 -6.930) 8.451 6.536 ( 3.114 -1.292 1.999) 3.919 6.768 ( 1.552 1.093 -2.098) 2.830 6.827 ( -4.012 -1.298 -9.531) 10.422 6.884 ( -3.200 0.730 -3.606) 4.876 6.984 ( -0.482 -3.096 -2.424) 3.961 7.099 ( 2.711 -0.093 -0.242) 2.723 7.211 ( -4.094 1.269 -1.640) 4.589 7.272 ( -6.440 0.002 0.827) 6.493 7.645 ( 2.195 1.498 1.732) 3.172 7.677 ( 1.294 -1.504 0.573) 2.065 7.912 ( 8.095 0.279 0.214) 8.102 7.977 ( 2.248 0.246 -0.079) 2.263 8.170 ( 1.924 0.164 5.528) 5.855 8.368 ( 4.383 0.141 1.094) 4.519 8.413 ( 0.078 -0.112 2.480) 2.484 8.567 ( 1.702 -0.548 -2.702) 3.240 8.728 ( 6.446 1.574 1.962) 6.919 8.812 ( -1.100 -0.383 -1.526) 1.920 13.950 ( 3.820 -0.059 0.021) 3.820 14.020 ( 6.080 0.151 -1.239) 6.207 14.603 ( -0.743 0.103 0.922) 1.189 14.924 ( -4.886 -0.327 -4.676) 6.771 16.798 ( -7.251 0.789 8.690) 11.345 16.810 ( 1.899 -1.202 9.620) 9.879 17.297 ( 4.780 1.082 1.387) 5.093 17.358 ( -6.280 -0.082 1.025) 6.364 18.013 ( -13.427 0.555 -8.963) 16.154 18.098 ( -1.655 0.002 -6.908) 7.104 18.395 ( -6.826 2.335 2.939) 7.790 18.441 ( 4.234 -2.091 2.832) 5.506 18.997 ( -4.003 1.623 -3.673) 5.671 19.046 ( -0.263 -3.074 -5.470) 6.280 19.580 ( -10.318 -2.120 4.999) 11.660 20.050 ( -3.091 -0.721 -15.018) 15.349 20.683 ( -4.353 -0.220 5.659) 7.143 20.907 ( 6.522 0.488 -6.460) 9.193 21.084 ( -6.636 -0.244 -6.431) 9.244 21.192 ( -4.166 0.883 -2.596) 4.988 21.523 ( 0.808 -0.002 7.479) 7.522 21.613 ( 1.474 1.119 21.099) 21.180 21.676 ( 9.953 -1.069 9.650) 13.905 21.733 ( 13.132 0.597 -0.721) 13.166 22.642 ( -18.361 -0.479 -4.018) 18.802 23.025 ( 16.610 0.448 -6.762) 17.939 24.009 ( -3.558 0.735 3.163) 4.817 24.034 ( 1.838 -0.712 2.145) 2.913 24.709 ( -2.448 0.563 -1.539) 2.946 24.781 ( 11.771 -0.394 -2.181) 11.977 44.843 ( -6.313 0.613 2.779) 6.925 44.878 ( 7.148 -0.546 2.470) 7.583 45.254 ( -3.463 -0.033 -1.343) 3.714 45.378 ( 5.159 0.140 -3.193) 6.069 45.717 ( -1.206 -0.071 -1.808) 2.175 45.749 ( -2.597 0.108 -2.314) 3.480 47.265 ( -6.557 -0.377 3.704) 7.540 47.430 ( 5.874 0.361 4.411) 7.355 47.687 ( -9.391 -0.776 -1.711) 9.577 47.976 ( 10.230 0.844 -3.097) 10.722 94.717 ( -6.237 -0.668 2.470) 6.742 94.952 ( 4.277 1.330 1.608) 4.759 95.203 ( -5.130 0.845 -4.782) 7.064 95.233 ( 5.295 -1.983 -1.451) 5.837 95.495 ( -6.828 0.052 3.661) 7.748 95.823 ( 1.000 0.561 -0.914) 1.466 95.837 ( -0.583 -1.163 -1.604) 2.066 96.103 ( 12.029 1.152 -6.728) 13.830 96.590 ( -2.416 -0.400 -2.866) 3.770 96.736 ( 1.475 0.109 -5.046) 5.258 96.806 ( -1.429 0.384 7.616) 7.758 96.828 ( 2.253 -0.389 6.439) 6.832 97.153 ( -3.950 -0.443 6.528) 7.643 97.235 ( 0.401 0.090 7.030) 7.042 99.550 ( -18.098 0.525 -0.040) 18.106 99.809 ( 14.840 -0.392 -3.635) 15.284 100.634 ( 5.900 0.096 1.209) 6.024 100.859 ( 4.894 0.036 -2.228) 5.377 104.254 ( -12.294 -0.933 0.080) 12.330 104.377 ( -10.408 0.336 -1.989) 10.601 ======================= Grid point 107 (41/100) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -13.627 8.409 -8.134) 17.960 2.111 ( -11.251 0.697 7.900) 13.766 2.449 ( -6.150 -4.528 2.438) 8.017 2.489 ( 3.698 0.533 3.827) 5.348 2.676 ( 3.478 -1.670 -3.015) 4.896 2.832 ( 7.857 6.719 -4.969) 11.470 3.072 ( 4.212 2.589 -6.079) 7.836 3.161 ( 4.528 0.875 -8.619) 9.775 3.277 ( -4.740 -0.497 -3.735) 6.055 3.439 ( -1.913 3.235 -3.911) 5.425 3.536 ( -1.298 2.646 -1.915) 3.515 3.710 ( 1.506 3.750 4.418) 5.987 3.732 ( -7.688 -5.881 -2.794) 10.075 3.986 ( -2.259 0.662 -5.865) 6.320 4.097 ( -13.557 10.479 -1.222) 17.178 4.265 ( -1.959 -3.067 7.269) 8.129 4.329 ( 3.312 2.930 4.323) 6.184 4.554 ( -2.182 -0.098 2.908) 3.637 4.605 ( -2.054 -4.654 8.288) 9.724 4.659 ( -4.526 -2.901 0.062) 5.376 4.798 ( 6.837 0.865 -5.885) 9.062 5.054 ( 4.267 0.224 -0.396) 4.292 5.103 ( -2.338 -6.130 0.975) 6.633 5.377 ( 1.560 -2.400 1.066) 3.054 5.450 ( -5.904 -2.152 -7.116) 9.494 5.863 ( -2.346 3.723 -2.300) 4.965 5.919 ( -2.167 -2.310 -7.802) 8.421 6.066 ( -6.013 3.734 2.949) 7.668 6.178 ( -3.323 -0.978 7.714) 8.456 6.417 ( -5.697 -6.106 1.151) 8.430 6.568 ( -2.303 1.013 -5.300) 5.867 6.680 ( -9.549 -4.315 -5.478) 11.824 6.815 ( -0.133 0.280 -5.653) 5.662 6.892 ( 2.482 -2.189 -4.560) 5.634 7.030 ( 5.127 0.285 -0.747) 5.189 7.084 ( -4.062 1.413 0.352) 4.315 7.162 ( 1.722 0.796 2.263) 2.953 7.195 ( -0.809 -1.013 3.609) 3.835 7.668 ( 2.106 1.341 1.791) 3.073 7.753 ( 5.559 -1.702 0.891) 5.881 8.018 ( 6.984 3.809 1.011) 8.019 8.111 ( 9.584 -1.658 -0.743) 9.754 8.224 ( 3.981 0.182 4.220) 5.804 8.377 ( -2.805 -0.472 1.442) 3.189 8.497 ( 6.207 0.979 1.120) 6.383 8.554 ( -2.208 -1.345 0.281) 2.601 8.740 ( -3.861 1.802 -0.217) 4.267 8.931 ( 15.170 2.187 -3.236) 15.665 14.091 ( 11.798 -0.179 0.572) 11.813 14.199 ( 14.432 0.519 -1.898) 14.566 14.564 ( -3.325 0.678 0.788) 3.484 14.823 ( -7.755 -2.134 -3.532) 8.784 16.561 ( -14.657 0.679 8.470) 16.942 16.881 ( -0.241 -1.552 11.081) 11.191 17.150 ( -10.105 4.165 2.674) 11.252 17.376 ( -1.819 -1.579 -3.651) 4.375 17.698 ( -16.573 2.275 -3.215) 17.035 17.868 ( -18.379 0.292 -0.396) 18.385 18.244 ( -8.079 -1.829 -0.277) 8.289 18.696 ( 13.791 -1.495 -4.128) 14.473 18.917 ( -3.680 0.015 -0.242) 3.688 19.058 ( -3.151 -4.917 -4.657) 7.469 19.396 ( -13.667 -5.926 5.825) 15.995 19.973 ( -6.159 -1.709 -19.353) 20.381 20.652 ( 0.885 1.294 10.066) 10.187 20.937 ( -7.759 -0.585 -5.500) 9.528 20.959 ( -2.245 0.192 -5.203) 5.670 21.122 ( -0.181 1.478 -4.158) 4.417 21.657 ( 14.039 -0.005 7.532) 15.932 21.701 ( 8.016 1.485 20.698) 22.246 21.879 ( 10.233 -1.373 3.985) 11.067 21.979 ( 13.705 1.386 -3.123) 14.125 22.344 ( -14.753 -0.996 1.094) 14.827 23.278 ( 12.498 0.873 -9.451) 15.693 23.919 ( -5.428 0.651 5.701) 7.899 24.063 ( 0.582 -0.536 0.887) 1.189 24.738 ( 6.105 0.676 0.713) 6.184 25.034 ( 15.751 -0.235 -3.145) 16.064 44.731 ( -5.374 1.104 3.805) 6.676 45.008 ( 6.687 -0.766 1.014) 6.807 45.207 ( -1.649 -0.092 -0.605) 1.759 45.449 ( 2.875 0.916 -2.915) 4.195 45.664 ( -4.976 0.804 -2.282) 5.533 45.698 ( -2.406 -1.159 -3.060) 4.062 47.154 ( -6.554 -0.729 3.288) 7.368 47.483 ( -3.007 -0.386 -0.804) 3.136 47.573 ( -0.753 -0.054 4.728) 4.788 48.132 ( 8.717 1.769 -3.332) 9.499 94.621 ( -5.597 -1.311 1.712) 5.998 94.944 ( -3.648 0.959 -3.144) 4.911 95.155 ( 1.830 2.020 0.192) 2.733 95.370 ( 0.025 -2.225 2.364) 3.246 95.380 ( -0.296 -1.883 1.127) 2.214 95.710 ( -7.960 1.162 -2.361) 8.384 95.901 ( 3.167 -0.309 -1.310) 3.441 96.302 ( 11.671 4.524 -8.857) 15.334 96.550 ( -2.795 -1.320 -3.478) 4.653 96.719 ( -1.526 0.832 -4.301) 4.639 96.794 ( -0.152 -0.254 6.096) 6.103 96.924 ( 6.937 -0.002 8.086) 10.654 97.122 ( -0.755 -3.594 11.463) 12.036 97.274 ( 3.023 -1.031 4.858) 5.814 99.230 ( -17.274 0.706 4.828) 17.950 100.020 ( 8.742 -0.188 -5.745) 10.462 100.802 ( 12.787 -0.570 0.943) 12.834 101.051 ( 17.320 0.806 -2.827) 17.567 103.952 ( -23.765 -3.462 0.485) 24.021 104.120 ( -19.412 -1.454 -2.128) 19.583 ======================= Grid point 108 (42/100) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -14.538 12.560 -2.107) 19.328 1.875 ( -10.373 8.725 10.638) 17.231 2.368 ( -10.233 -8.881 4.605) 14.311 2.521 ( -1.239 -4.057 6.927) 8.122 2.692 ( -0.524 2.899 -7.662) 8.208 2.794 ( -4.460 9.608 0.753) 10.620 3.069 ( 0.903 5.917 -8.956) 10.772 3.109 ( -9.804 9.958 -4.842) 14.790 3.237 ( 0.688 1.297 -10.916) 11.014 3.345 ( -10.265 2.370 -1.477) 10.638 3.465 ( 4.679 -3.452 4.769) 7.520 3.653 ( -2.051 2.885 -4.909) 6.052 3.763 ( 4.974 1.841 -3.676) 6.453 3.891 ( 1.396 5.266 -1.446) 5.636 3.968 ( -0.476 -1.358 -4.311) 4.545 4.265 ( -4.015 -3.711 6.770) 8.702 4.329 ( 0.863 3.100 1.214) 3.439 4.516 ( -1.506 4.894 10.851) 11.998 4.589 ( -0.616 -6.298 5.716) 8.527 4.754 ( 6.368 -4.912 1.427) 8.168 4.822 ( -1.162 3.280 0.795) 3.569 5.120 ( 3.590 -1.541 -2.504) 4.640 5.155 ( 0.201 -9.436 -2.645) 9.801 5.369 ( -2.713 0.706 -7.254) 7.776 5.480 ( 3.637 -4.172 -5.150) 7.561 5.796 ( -3.163 1.596 -1.125) 3.717 5.867 ( -8.416 -5.138 -3.022) 10.313 5.932 ( -2.953 4.937 -3.148) 6.558 6.108 ( -4.637 -1.485 5.913) 7.659 6.333 ( -9.298 -6.500 2.866) 11.701 6.455 ( -8.446 -0.357 -9.208) 12.500 6.597 ( -7.268 -11.112 -8.452) 15.740 6.805 ( -1.086 1.994 -0.904) 2.444 6.866 ( -5.635 0.664 -5.016) 7.573 7.067 ( 2.609 -2.139 0.791) 3.465 7.151 ( 3.768 1.074 -1.258) 4.115 7.221 ( 10.790 2.115 5.735) 12.401 7.283 ( 8.950 0.416 5.696) 10.617 7.697 ( 2.016 0.544 2.404) 3.185 7.887 ( 7.422 -1.384 -0.332) 7.557 8.089 ( 5.255 5.404 2.418) 7.916 8.271 ( 3.165 -0.633 -1.212) 3.447 8.301 ( 3.962 -0.765 1.707) 4.381 8.317 ( -0.870 -1.048 1.451) 1.991 8.439 ( -6.608 -0.391 2.277) 7.000 8.581 ( -5.158 1.272 -2.195) 5.748 8.697 ( 5.331 0.893 2.835) 6.104 9.194 ( 17.163 4.521 -6.538) 18.914 14.344 ( 14.500 -0.253 0.394) 14.508 14.432 ( 3.159 1.517 -1.874) 3.974 14.543 ( 9.989 -0.979 -0.487) 10.049 14.715 ( -4.301 -3.001 -1.135) 5.366 16.287 ( -16.121 -0.571 11.001) 19.525 16.784 ( -12.090 -0.152 10.636) 16.103 16.935 ( -10.034 4.125 6.260) 12.525 17.235 ( -11.977 1.281 -9.267) 15.198 17.504 ( -8.119 0.902 0.701) 8.199 17.558 ( -12.617 -0.331 -0.679) 12.639 18.169 ( -3.548 -6.188 -1.725) 7.339 18.778 ( -10.489 -3.938 3.725) 11.807 18.868 ( 0.564 1.102 3.475) 3.689 19.053 ( -4.699 -5.442 -5.141) 8.839 19.288 ( -2.939 -9.151 -3.147) 10.114 19.880 ( -6.637 -2.795 -17.450) 18.877 20.666 ( 2.423 3.475 11.566) 12.317 20.872 ( -3.202 -0.229 -4.975) 5.921 20.893 ( 0.408 -0.648 -3.600) 3.681 21.131 ( 1.500 1.469 -5.369) 5.765 21.771 ( -3.206 0.290 7.515) 8.176 21.959 ( 15.491 0.248 6.152) 16.670 21.989 ( 3.167 -0.190 3.403) 4.653 22.099 ( 4.761 -1.691 5.094) 7.175 22.307 ( 10.130 2.027 3.958) 11.063 23.423 ( 4.330 1.071 -11.564) 12.394 23.829 ( -3.180 0.709 8.034) 8.670 24.065 ( -0.848 -0.518 -0.030) 0.994 24.886 ( 10.134 0.170 2.485) 10.435 25.301 ( 13.959 0.180 -3.516) 14.396 44.640 ( -3.776 1.321 4.655) 6.137 45.111 ( 4.230 -0.280 -1.559) 4.517 45.209 ( 1.846 -0.248 1.176) 2.202 45.449 ( -1.545 1.148 -1.714) 2.577 45.545 ( -7.268 0.981 -2.370) 7.708 45.697 ( 0.690 -1.357 -5.070) 5.294 47.055 ( -5.420 -1.080 3.052) 6.314 47.383 ( -6.560 -1.481 -2.542) 7.190 47.613 ( 3.280 1.330 7.540) 8.330 48.245 ( 6.272 2.601 -3.416) 7.601 94.549 ( -4.149 -1.797 1.174) 4.671 94.860 ( -4.393 0.353 -5.438) 6.999 95.177 ( 1.309 2.048 3.590) 4.336 95.270 ( -4.847 -0.630 4.840) 6.878 95.514 ( 3.564 -3.418 -2.138) 5.381 95.561 ( -5.574 1.001 -1.473) 5.852 95.947 ( 1.979 0.129 -2.959) 3.562 96.393 ( 3.802 5.507 -4.027) 7.810 96.529 ( 0.176 0.574 -7.106) 7.132 96.686 ( -1.315 1.058 -2.678) 3.166 96.794 ( 0.102 0.425 3.675) 3.701 97.029 ( 4.837 -0.518 8.442) 9.743 97.203 ( 3.013 -6.069 8.457) 10.836 97.366 ( 5.604 -4.879 10.266) 12.673 98.949 ( -13.636 0.833 10.700) 17.353 100.139 ( 5.628 0.030 -5.752) 8.048 101.073 ( 16.389 -1.452 0.982) 16.482 101.434 ( 27.153 1.755 -4.017) 27.505 103.506 ( -31.416 -6.011 0.687) 31.994 103.728 ( -27.636 -3.157 -2.725) 27.949 ======================= Grid point 109 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -11.694 14.331 9.626) 20.852 1.593 ( -9.200 15.417 18.922) 26.084 2.278 ( -9.393 -10.764 2.366) 14.481 2.309 ( -11.210 22.206 12.799) 27.975 2.684 ( 5.467 -0.684 1.284) 5.657 2.744 ( -1.721 -1.953 -7.620) 8.053 2.863 ( -6.753 6.722 -9.174) 13.227 2.982 ( -3.197 7.108 -10.312) 12.926 3.162 ( -4.590 1.590 -7.939) 9.307 3.272 ( 0.350 -2.037 2.699) 3.399 3.530 ( -3.022 1.571 -22.447) 22.704 3.628 ( 5.012 0.641 12.731) 13.697 3.852 ( 4.149 1.775 -3.603) 5.775 3.940 ( -1.740 0.777 0.055) 1.907 3.995 ( 9.483 0.511 -1.715) 9.650 4.227 ( -1.708 -1.924 -2.025) 3.274 4.298 ( -2.047 3.100 -1.027) 3.855 4.444 ( -1.934 3.406 12.169) 12.783 4.643 ( 0.928 -1.090 7.805) 7.935 4.756 ( -2.000 2.301 7.071) 7.700 4.864 ( 2.117 -1.312 1.860) 3.109 5.218 ( 4.071 -3.241 -4.095) 6.622 5.236 ( -1.047 -5.946 -7.921) 9.959 5.394 ( 8.147 -1.125 -4.709) 9.477 5.522 ( -1.126 -1.059 -7.324) 7.486 5.683 ( -7.290 1.229 -2.198) 7.712 5.742 ( -7.205 -1.932 0.213) 7.463 5.970 ( 4.867 -6.092 -2.817) 8.290 6.075 ( -2.671 -5.226 2.469) 6.367 6.249 ( -5.109 -3.751 -4.413) 7.723 6.327 ( -6.031 -3.315 -3.032) 7.520 6.564 ( -10.016 -8.535 -6.044) 14.481 6.708 ( -4.474 -0.373 0.291) 4.499 6.822 ( 0.493 0.844 -4.826) 4.924 7.119 ( 1.050 -0.692 2.026) 2.385 7.213 ( 4.185 -1.275 -1.242) 4.548 7.409 ( 11.257 1.988 5.993) 12.907 7.470 ( 11.951 1.678 2.972) 12.429 7.720 ( 0.409 -0.448 3.571) 3.622 7.988 ( 0.491 -0.672 -1.553) 1.762 8.099 ( 1.006 4.556 2.673) 5.377 8.193 ( -3.359 0.839 0.007) 3.462 8.302 ( -6.255 0.596 3.198) 7.051 8.352 ( 0.114 0.849 0.738) 1.131 8.422 ( -1.427 0.170 -0.674) 1.587 8.461 ( 0.588 -0.724 0.337) 0.992 8.795 ( 4.564 0.167 2.550) 5.231 9.418 ( 12.579 5.750 -10.408) 17.309 14.314 ( -5.345 1.346 -0.468) 5.532 14.526 ( -8.837 -4.821 -5.295) 11.374 14.688 ( 16.889 0.104 4.149) 17.392 14.980 ( 22.717 -0.125 -0.136) 22.718 16.042 ( -12.955 -4.517 18.108) 22.719 16.497 ( -18.494 0.174 10.028) 21.039 16.737 ( -7.183 4.661 7.926) 11.668 17.048 ( -6.538 2.592 -6.432) 9.531 17.280 ( -10.951 0.695 -5.126) 12.111 17.489 ( -1.687 -0.375 -2.109) 2.726 18.239 ( 2.199 -11.057 -0.430) 11.282 18.550 ( -16.791 -4.626 9.155) 19.676 18.855 ( -1.360 1.775 5.255) 5.711 18.981 ( -6.822 -6.859 4.530) 10.682 19.393 ( 3.943 -4.174 -20.883) 21.658 19.800 ( -5.811 -5.111 -9.507) 12.259 20.662 ( 1.266 4.646 12.351) 13.256 20.817 ( -2.177 -0.296 -5.083) 5.537 21.016 ( 10.928 -0.603 -2.233) 11.170 21.142 ( 1.218 0.906 -5.548) 5.752 21.574 ( -16.058 -1.961 -2.938) 16.442 22.016 ( 3.330 1.250 13.539) 13.998 22.196 ( 4.369 -1.041 5.895) 7.411 22.270 ( 13.082 -0.394 5.139) 14.061 22.461 ( 8.475 2.951 1.971) 9.188 23.406 ( -3.735 1.187 -8.944) 9.765 23.812 ( 1.158 0.616 5.852) 5.997 24.050 ( -1.090 -0.482 -0.662) 1.363 25.051 ( 7.501 -0.730 3.153) 8.170 25.495 ( 8.047 0.614 -3.496) 8.795 44.578 ( -1.877 1.318 5.236) 5.717 45.172 ( 3.547 0.399 -2.480) 4.346 45.258 ( 2.599 -0.261 1.134) 2.848 45.400 ( -3.967 1.062 -2.139) 4.631 45.409 ( -5.314 0.623 -1.308) 5.508 45.727 ( 1.158 -1.001 -6.028) 6.219 46.990 ( -3.093 -1.357 2.955) 4.488 47.305 ( -3.746 -1.587 -2.199) 4.625 47.644 ( 1.755 1.796 7.910) 8.299 48.303 ( 3.247 3.145 -3.426) 5.672 94.510 ( -2.209 -2.094 0.836) 3.157 94.797 ( -2.443 0.092 -5.805) 6.299 95.129 ( -4.375 -0.002 4.178) 6.050 95.247 ( 1.016 0.569 6.115) 6.225 95.420 ( -4.606 3.077 -1.715) 5.799 95.642 ( 2.938 -5.099 -2.444) 6.372 95.969 ( 0.978 0.675 -4.121) 4.289 96.378 ( -0.636 1.658 1.487) 2.317 96.522 ( 1.393 5.762 -9.482) 11.183 96.655 ( -0.941 1.129 -1.945) 2.437 96.792 ( 0.352 0.822 3.582) 3.692 97.120 ( 3.592 -3.499 9.875) 11.075 97.265 ( -0.008 -2.441 0.504) 2.493 97.570 ( 7.220 -13.164 19.707) 24.774 98.752 ( -7.829 0.425 17.843) 19.489 100.236 ( 5.257 -0.778 -5.688) 7.784 101.374 ( 16.188 -0.401 2.519) 16.388 101.957 ( 33.650 0.827 -4.491) 33.958 102.988 ( -32.190 -5.421 0.409) 32.646 103.211 ( -34.443 -3.026 -3.165) 34.720 ======================= Grid point 110 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 13.413 21.055) 24.964 1.338 ( 0.000 19.074 25.430) 31.788 1.916 ( 0.000 37.060 17.265) 40.885 2.303 ( -0.000 -13.467 3.298) 13.865 2.692 ( 0.000 2.860 -12.816) 13.131 2.780 ( -0.000 -2.848 -1.441) 3.191 2.794 ( 0.000 0.232 -9.139) 9.142 2.900 ( 0.000 1.545 -8.986) 9.118 3.106 ( 0.000 1.769 -8.031) 8.224 3.318 ( -0.000 -4.975 7.580) 9.067 3.462 ( 0.000 4.388 -25.184) 25.563 3.685 ( 0.000 0.763 16.518) 16.536 3.868 ( 0.000 2.402 -4.184) 4.825 3.871 ( 0.000 3.176 2.019) 3.763 4.178 ( -0.000 -7.020 -1.821) 7.252 4.181 ( 0.000 8.042 -10.920) 13.562 4.238 ( -0.000 -1.309 -6.110) 6.249 4.392 ( 0.000 3.165 18.034) 18.310 4.647 ( 0.000 2.395 3.802) 4.493 4.711 ( 0.000 1.581 9.911) 10.037 4.895 ( -0.000 -2.823 6.988) 7.537 5.218 ( 0.000 3.278 -14.008) 14.387 5.309 ( -0.000 -6.100 0.977) 6.178 5.478 ( 0.000 2.440 -8.234) 8.588 5.594 ( 0.000 1.343 0.042) 1.344 5.605 ( -0.000 -6.398 -14.850) 16.169 5.656 ( -0.000 -0.609 3.673) 3.723 6.088 ( -0.000 -9.393 0.768) 9.424 6.121 ( -0.000 -5.925 -5.874) 8.343 6.208 ( -0.000 -3.316 -5.594) 6.503 6.374 ( -0.000 -1.508 0.027) 1.509 6.430 ( -0.000 -3.381 2.715) 4.336 6.696 ( -0.000 -2.178 -1.981) 2.944 6.836 ( -0.000 -1.787 -8.376) 8.564 7.126 ( 0.000 0.612 0.519) 0.802 7.294 ( -0.000 -5.905 2.026) 6.243 7.522 ( 0.000 0.106 5.008) 5.009 7.596 ( 0.000 2.895 0.752) 2.991 7.716 ( -0.000 -0.304 4.281) 4.292 7.931 ( -0.000 -1.524 -0.427) 1.583 8.073 ( 0.000 1.922 1.180) 2.255 8.173 ( 0.000 5.347 3.593) 6.442 8.235 ( 0.000 4.139 -1.449) 4.385 8.258 ( 0.000 1.106 5.795) 5.900 8.425 ( -0.000 -1.018 -2.190) 2.415 8.511 ( -0.000 -1.783 1.644) 2.425 8.837 ( -0.000 -0.332 2.744) 2.764 9.486 ( 0.000 6.708 -14.061) 15.579 14.251 ( 0.000 0.857 0.367) 0.932 14.453 ( -0.000 -2.335 -3.149) 3.920 14.867 ( 0.000 0.183 3.592) 3.597 15.245 ( -0.000 -1.182 -1.999) 2.322 15.982 ( -0.000 -10.915 24.014) 26.378 16.295 ( -0.000 -1.480 14.494) 14.570 16.625 ( 0.000 4.878 7.435) 8.893 16.966 ( 0.000 2.915 -4.834) 5.645 17.161 ( 0.000 1.591 -7.971) 8.129 17.477 ( -0.000 -0.398 -3.739) 3.760 18.373 ( -0.000 -0.165 12.504) 12.505 18.409 ( -0.000 -16.084 1.497) 16.153 18.812 ( 0.000 1.629 4.027) 4.344 18.974 ( -0.000 -5.119 8.005) 9.502 19.448 ( -0.000 -1.464 -25.434) 25.476 19.796 ( -0.000 -6.096 -4.298) 7.459 20.632 ( 0.000 4.269 14.599) 15.210 20.800 ( -0.000 -0.190 -5.267) 5.270 21.125 ( 0.000 0.654 -5.480) 5.519 21.246 ( -0.000 -1.020 4.109) 4.233 21.349 ( -0.000 -2.573 -8.959) 9.321 22.039 ( 0.000 0.582 13.648) 13.660 22.241 ( -0.000 -0.169 6.278) 6.280 22.390 ( 0.000 0.184 4.356) 4.360 22.523 ( 0.000 2.456 1.698) 2.986 23.347 ( 0.000 1.291 -7.016) 7.134 23.822 ( 0.000 0.486 4.097) 4.125 24.043 ( -0.000 -0.470 -0.911) 1.025 25.131 ( -0.000 -1.244 2.967) 3.218 25.560 ( 0.000 0.836 -3.327) 3.430 44.550 ( 0.000 1.237 5.419) 5.558 45.223 ( 0.000 0.011 -0.960) 0.960 45.274 ( 0.000 1.933 -5.965) 6.270 45.316 ( -0.000 -0.616 3.191) 3.250 45.379 ( 0.000 0.533 -1.291) 1.397 45.746 ( -0.000 -0.882 -6.189) 6.252 46.975 ( -0.000 -1.403 2.914) 3.234 47.285 ( -0.000 -1.519 -2.063) 2.562 47.642 ( 0.000 1.893 7.925) 8.148 48.302 ( 0.000 3.241 -3.393) 4.692 94.510 ( -0.000 -2.198 0.664) 2.296 94.775 ( 0.000 0.065 -5.500) 5.500 95.080 ( -0.000 -0.005 4.229) 4.229 95.261 ( -0.000 -0.863 7.884) 7.931 95.346 ( 0.000 3.678 -1.583) 4.005 95.713 ( -0.000 -4.902 -3.326) 5.924 95.970 ( 0.000 0.713 -3.719) 3.787 96.367 ( -0.000 -0.360 3.573) 3.592 96.465 ( 0.000 9.082 -9.736) 13.314 96.637 ( 0.000 0.977 -1.538) 1.822 96.791 ( 0.000 0.528 3.719) 3.756 97.201 ( -0.000 -4.914 11.101) 12.140 97.268 ( -0.000 -0.571 -3.101) 3.153 97.804 ( -0.000 -21.769 23.878) 32.312 98.690 ( -0.000 -3.485 27.954) 28.171 100.313 ( -0.000 -2.452 -6.165) 6.635 101.564 ( -0.000 -0.351 5.674) 5.685 102.537 ( -0.000 -1.837 -7.296) 7.524 102.639 ( -0.000 -0.234 -0.014) 0.235 102.642 ( -0.000 -0.231 -0.066) 0.241 ======================= Grid point 115 (45/100) ======================= q-point: (-0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -10.504 -0.000 -12.641) 16.436 2.081 ( -9.719 -0.000 11.245) 14.863 2.403 ( -10.102 -0.000 3.877) 10.820 2.497 ( 3.564 0.000 5.056) 6.186 2.660 ( 3.921 0.000 -3.163) 5.038 2.900 ( 9.610 0.000 -5.097) 10.878 3.115 ( 10.166 0.000 4.562) 11.143 3.150 ( -1.823 -0.000 -12.669) 12.800 3.269 ( -2.800 -0.000 -7.035) 7.572 3.497 ( -3.232 -0.000 -7.798) 8.442 3.602 ( -8.451 -0.000 -3.594) 9.183 3.604 ( 5.641 0.000 -2.712) 6.259 3.752 ( -0.423 -0.000 8.406) 8.416 3.992 ( -5.085 -0.000 -10.810) 11.946 4.158 ( -0.171 -0.000 2.801) 2.806 4.348 ( -0.871 -0.000 8.487) 8.532 4.411 ( -6.958 -0.000 5.583) 8.921 4.431 ( -2.262 -0.000 5.392) 5.847 4.527 ( -7.665 -0.000 -5.968) 9.715 4.660 ( -2.595 -0.000 4.213) 4.948 4.814 ( 7.776 0.000 -6.555) 10.170 5.036 ( -4.208 -0.000 3.609) 5.544 5.058 ( 4.742 0.000 -0.200) 4.747 5.358 ( 0.577 0.000 2.325) 2.395 5.431 ( -4.837 -0.000 -7.693) 9.087 5.890 ( -3.293 -0.000 -9.733) 10.275 5.906 ( -4.770 -0.000 1.232) 4.927 6.132 ( -4.042 -0.000 14.211) 14.775 6.148 ( -1.659 -0.000 -4.112) 4.434 6.355 ( -6.072 -0.000 -0.368) 6.083 6.578 ( -2.320 -0.000 -7.999) 8.329 6.629 ( -14.171 -0.000 -2.681) 14.423 6.839 ( 1.404 0.000 -0.475) 1.482 6.851 ( 2.100 0.000 -9.417) 9.648 7.034 ( 7.466 0.000 -0.492) 7.483 7.099 ( -5.748 -0.000 -0.195) 5.752 7.172 ( 3.660 0.000 2.785) 4.600 7.182 ( -1.879 -0.000 3.856) 4.290 7.685 ( 1.456 0.000 1.632) 2.187 7.731 ( 5.928 0.000 1.529) 6.122 8.070 ( 7.396 0.000 0.149) 7.398 8.080 ( 9.624 0.000 -0.319) 9.629 8.226 ( 3.883 0.000 4.126) 5.666 8.372 ( -2.717 -0.000 2.265) 3.537 8.512 ( 8.479 0.000 0.562) 8.498 8.536 ( -4.476 -0.000 0.235) 4.482 8.756 ( -4.408 -0.000 -0.536) 4.441 8.952 ( 16.299 0.000 -2.970) 16.567 14.089 ( 11.786 0.000 0.585) 11.801 14.203 ( 14.439 0.000 -1.958) 14.571 14.571 ( -2.988 -0.000 0.577) 3.043 14.803 ( -8.508 -0.000 -2.855) 8.974 16.568 ( -15.125 -0.000 8.129) 17.171 16.867 ( 0.321 0.000 11.562) 11.566 17.192 ( -10.515 -0.000 2.571) 10.825 17.360 ( -0.935 -0.000 -3.547) 3.668 17.718 ( -16.795 -0.000 -3.966) 17.256 17.871 ( -18.583 -0.000 -0.758) 18.599 18.228 ( -9.658 -0.000 0.639) 9.679 18.683 ( 14.931 0.000 -3.918) 15.437 18.926 ( -3.343 -0.000 -2.839) 4.386 19.003 ( -4.363 -0.000 -1.465) 4.603 19.339 ( -15.019 -0.000 5.886) 16.131 19.956 ( -6.224 -0.000 -20.607) 21.526 20.666 ( 1.880 0.000 10.560) 10.726 20.932 ( -7.734 -0.000 -5.718) 9.618 20.961 ( -2.655 -0.000 -5.074) 5.727 21.135 ( -0.204 -0.000 -4.605) 4.609 21.658 ( 14.032 0.000 7.866) 16.086 21.717 ( 7.843 0.000 21.512) 22.897 21.865 ( 10.445 0.000 3.176) 10.917 21.992 ( 13.356 0.000 -3.496) 13.806 22.335 ( -14.448 -0.000 1.348) 14.510 23.286 ( 12.481 0.000 -9.433) 15.645 23.925 ( -5.512 -0.000 5.667) 7.905 24.058 ( 0.697 0.000 0.947) 1.176 24.745 ( 5.881 0.000 0.611) 5.913 25.031 ( 15.961 0.000 -3.068) 16.254 44.742 ( -5.423 -0.000 3.758) 6.598 45.000 ( 6.877 0.000 1.195) 6.980 45.207 ( -1.615 -0.000 -0.612) 1.728 45.458 ( 3.072 0.000 -3.035) 4.319 45.677 ( -5.506 -0.000 -2.446) 6.025 45.682 ( -2.021 -0.000 -2.969) 3.592 47.147 ( -6.581 -0.000 3.252) 7.341 47.478 ( -4.426 -0.000 -1.522) 4.680 47.574 ( 0.837 0.000 5.586) 5.648 48.148 ( 8.803 0.000 -3.383) 9.431 94.609 ( -5.586 -0.000 1.773) 5.861 94.953 ( -4.403 -0.000 -3.882) 5.870 95.178 ( 2.430 0.000 0.272) 2.445 95.337 ( 6.321 0.000 -0.345) 6.331 95.370 ( -6.974 -0.000 4.817) 8.476 95.720 ( -7.639 -0.000 -2.585) 8.065 95.898 ( 3.408 0.000 -1.355) 3.668 96.346 ( 13.451 0.000 -11.539) 17.723 96.534 ( -3.631 -0.000 -2.447) 4.379 96.727 ( -1.551 -0.000 -4.753) 5.000 96.791 ( -0.315 -0.000 7.809) 7.815 96.925 ( 7.976 0.000 9.119) 12.115 97.089 ( -2.957 -0.000 10.780) 11.178 97.265 ( 2.512 0.000 4.607) 5.247 99.237 ( -17.234 -0.000 4.498) 17.811 100.017 ( 8.921 0.000 -6.018) 10.761 100.797 ( 12.259 0.000 1.208) 12.318 101.059 ( 17.837 0.000 -2.827) 18.060 103.922 ( -24.275 -0.000 0.679) 24.285 104.106 ( -20.163 -0.000 -2.233) 20.286 ======================= Grid point 117 (46/100) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -12.116 9.443 -5.397) 16.281 1.936 ( -7.991 -1.437 8.104) 11.471 2.238 ( -11.107 -4.277 7.444) 14.038 2.463 ( -6.747 -1.865 15.870) 17.346 2.679 ( 0.583 -0.903 -6.544) 6.632 2.928 ( -5.012 3.216 -10.149) 11.767 3.183 ( 1.317 4.956 -4.206) 6.633 3.256 ( -0.432 1.132 -13.309) 13.364 3.269 ( 8.714 4.343 -0.936) 9.781 3.347 ( -13.855 -0.422 1.292) 13.922 3.430 ( 0.261 -1.090 -2.866) 3.077 3.684 ( 1.128 0.765 -6.935) 7.067 3.825 ( 6.675 3.216 4.171) 8.503 3.917 ( -2.266 -1.183 -9.458) 9.797 4.089 ( -2.040 12.957 1.087) 13.161 4.208 ( -2.142 0.248 6.715) 7.053 4.394 ( 0.539 -0.399 3.320) 3.387 4.435 ( -3.829 -8.743 -0.395) 9.552 4.542 ( -0.838 -3.461 9.966) 10.583 4.653 ( 6.345 -2.577 5.241) 8.623 4.892 ( 1.055 4.507 -4.031) 6.138 4.997 ( -1.664 -6.790 -1.149) 7.085 5.109 ( 1.586 -0.332 -2.829) 3.261 5.379 ( -0.806 0.312 -7.228) 7.279 5.434 ( 6.292 -1.148 -1.879) 6.666 5.781 ( -10.317 -2.975 -5.242) 11.948 5.821 ( -4.504 0.722 0.314) 4.573 6.032 ( -4.531 3.380 8.211) 9.968 6.114 ( -3.683 2.973 -4.011) 6.204 6.250 ( -6.410 -2.160 0.583) 6.790 6.388 ( -14.125 -8.379 -4.069) 16.920 6.463 ( -8.434 -1.000 -13.081) 15.596 6.839 ( -1.672 1.777 -1.041) 2.653 6.864 ( -3.693 -0.829 -3.101) 4.893 7.038 ( 1.460 -0.921 -1.281) 2.150 7.167 ( 3.707 0.561 -2.037) 4.267 7.252 ( 12.145 1.095 6.089) 13.630 7.286 ( 8.969 -0.034 7.243) 11.528 7.708 ( 1.393 0.541 2.770) 3.147 7.863 ( 8.023 -0.929 0.078) 8.077 8.172 ( 5.391 3.633 1.107) 6.594 8.243 ( 5.912 -2.132 -0.205) 6.288 8.296 ( 3.789 -0.015 2.083) 4.323 8.304 ( -3.911 -0.377 2.309) 4.557 8.435 ( -6.097 -0.103 1.206) 6.216 8.597 ( -3.466 0.482 -2.682) 4.409 8.710 ( 3.810 0.415 3.186) 4.983 9.250 ( 17.364 1.593 -6.589) 18.640 14.341 ( 15.187 -0.083 0.342) 15.191 14.460 ( 6.125 1.355 -4.381) 7.651 14.519 ( 0.596 -1.370 0.272) 1.518 14.683 ( 1.036 -0.783 1.996) 2.382 16.281 ( -17.370 -0.165 10.117) 20.102 16.779 ( -11.347 -0.247 11.919) 16.458 16.994 ( -10.513 1.981 5.603) 12.076 17.246 ( -10.438 0.174 -10.169) 14.573 17.524 ( -6.610 0.995 1.382) 6.826 17.551 ( -15.021 -0.440 -2.091) 15.173 18.092 ( -6.034 -2.268 -1.437) 6.604 18.728 ( -11.953 -1.401 7.100) 13.974 18.886 ( -0.603 0.190 2.218) 2.306 19.020 ( 1.179 2.454 -6.741) 7.270 19.131 ( -4.010 -7.861 -1.075) 8.890 19.846 ( -7.114 -1.006 -19.319) 20.612 20.714 ( 3.399 1.531 10.211) 10.870 20.872 ( -3.534 0.227 -4.540) 5.757 20.882 ( 0.882 -0.509 -3.638) 3.778 21.149 ( 0.872 0.516 -6.032) 6.117 21.775 ( -5.818 0.102 5.937) 8.313 21.962 ( 18.893 0.047 6.336) 19.927 22.005 ( 3.800 1.874 3.378) 5.419 22.057 ( 2.120 -2.589 7.932) 8.609 22.334 ( 11.389 0.842 3.065) 11.825 23.437 ( 4.255 0.432 -11.447) 12.220 23.839 ( -3.274 0.298 7.937) 8.591 24.058 ( -0.741 -0.214 0.066) 0.774 24.888 ( 9.590 0.110 2.435) 9.895 25.303 ( 14.218 0.041 -3.463) 14.634 44.657 ( -3.903 0.527 4.628) 6.077 45.107 ( 4.868 -0.146 -0.944) 4.961 45.206 ( 1.687 -0.057 0.883) 1.905 45.463 ( -2.086 0.391 -1.534) 2.619 45.560 ( -7.270 0.557 -2.725) 7.784 45.678 ( 1.231 -0.617 -5.366) 5.540 47.041 ( -5.514 -0.430 3.022) 6.302 47.364 ( -6.549 -0.608 -2.460) 7.022 47.630 ( 3.545 0.530 7.716) 8.508 48.278 ( 6.397 1.013 -3.496) 7.359 94.526 ( -4.113 -0.662 1.271) 4.356 94.864 ( -4.771 0.096 -6.222) 7.841 95.205 ( -1.530 0.781 4.366) 4.692 95.275 ( -1.750 0.789 4.134) 4.558 95.449 ( 4.896 -2.605 -0.793) 5.602 95.584 ( -7.011 0.787 -2.182) 7.385 95.948 ( 2.394 0.068 -3.148) 3.955 96.456 ( -3.013 1.577 -1.502) 3.718 96.545 ( 7.642 0.822 -13.486) 15.522 96.699 ( -1.288 0.406 -3.477) 3.731 96.794 ( 0.412 -0.253 6.273) 6.292 97.036 ( 1.040 1.284 13.027) 13.131 97.104 ( 6.183 -4.140 9.101) 11.756 97.318 ( 3.117 -1.131 6.096) 6.940 98.964 ( -13.228 0.588 9.234) 16.143 100.136 ( 5.158 -0.172 -6.644) 8.413 101.056 ( 16.845 -0.435 1.774) 16.944 101.456 ( 26.957 0.661 -4.136) 27.280 103.440 ( -30.630 -1.712 1.091) 30.698 103.689 ( -27.777 -1.175 -2.830) 27.945 ======================= Grid point 118 (47/100) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -11.403 13.133 6.202) 18.465 1.813 ( -3.906 7.884 11.700) 14.639 2.069 ( -12.590 -8.607 9.844) 18.152 2.382 ( -6.035 -7.023 10.948) 14.339 2.707 ( 0.742 -1.615 -7.556) 7.762 2.830 ( 0.519 6.706 -7.635) 10.175 3.010 ( -9.509 6.983 -0.295) 11.801 3.163 ( -5.281 2.228 -7.890) 9.752 3.214 ( -2.571 6.322 -6.364) 9.331 3.282 ( 3.351 12.152 1.362) 12.679 3.533 ( 2.314 -0.575 -16.218) 16.393 3.657 ( 1.687 1.736 0.237) 2.432 3.875 ( 2.428 1.314 -6.967) 7.494 3.954 ( 2.739 0.648 3.523) 4.509 4.033 ( 4.566 4.577 0.129) 6.467 4.187 ( -1.557 -2.142 1.080) 2.860 4.357 ( -0.670 3.136 1.128) 3.399 4.488 ( -2.154 0.407 11.985) 12.184 4.559 ( 2.401 -7.950 10.646) 13.502 4.837 ( 1.037 3.779 -0.439) 3.943 4.838 ( 4.408 -0.923 -2.136) 4.984 5.049 ( -0.268 -10.756 -5.011) 11.869 5.147 ( 0.981 -3.569 -2.615) 4.532 5.407 ( 4.973 1.355 -5.715) 7.696 5.536 ( 3.545 1.593 -4.773) 6.155 5.633 ( -9.198 -6.115 -2.727) 11.377 5.727 ( -6.616 0.124 1.301) 6.744 5.935 ( -2.276 1.376 1.663) 3.137 6.003 ( -4.388 -1.131 1.221) 4.693 6.190 ( -2.635 -2.695 -7.553) 8.442 6.256 ( -8.996 -5.842 -5.809) 12.199 6.395 ( -4.792 -7.380 -8.121) 11.975 6.715 ( -7.406 0.435 3.699) 8.290 6.840 ( -0.001 0.881 -2.389) 2.546 7.099 ( 2.465 -1.088 -0.074) 2.696 7.212 ( 2.549 0.537 -4.645) 5.325 7.443 ( 10.322 1.631 8.320) 13.358 7.495 ( 13.513 0.992 3.906) 14.101 7.719 ( 0.070 0.203 4.029) 4.035 7.973 ( 0.369 -0.770 -1.036) 1.342 8.164 ( -2.592 2.700 1.602) 4.071 8.205 ( -1.416 0.333 1.310) 1.958 8.325 ( -0.818 1.660 2.026) 2.744 8.357 ( 2.425 -0.164 0.699) 2.529 8.409 ( 2.730 -1.449 1.075) 3.272 8.466 ( -7.427 0.861 -1.496) 7.625 8.799 ( 4.327 0.204 2.726) 5.118 9.494 ( 11.809 2.845 -9.939) 15.695 14.343 ( -5.925 1.965 -1.335) 6.384 14.450 ( -6.284 -3.690 -3.335) 8.014 14.690 ( 16.875 0.096 4.250) 17.403 14.978 ( 21.592 -0.093 0.360) 21.596 15.988 ( -15.766 -1.774 15.429) 22.131 16.498 ( -18.417 -0.016 10.422) 21.161 16.810 ( -7.284 3.122 7.173) 10.689 17.084 ( -6.274 1.334 -7.920) 10.192 17.302 ( -9.613 1.431 -6.945) 11.945 17.483 ( -1.642 -0.279 -0.423) 1.718 18.075 ( -0.675 -6.686 -0.883) 6.777 18.497 ( -13.123 -1.627 11.624) 17.606 18.877 ( -5.313 -4.482 5.726) 9.006 18.896 ( -2.232 2.503 4.361) 5.501 19.312 ( 8.814 -4.375 -20.012) 22.300 19.727 ( -7.720 -2.902 -12.572) 15.036 20.738 ( 1.581 3.386 8.068) 8.892 20.810 ( -2.152 -0.453 -4.355) 4.879 21.011 ( 11.362 -0.029 -1.764) 11.498 21.153 ( 0.380 0.417 -6.466) 6.490 21.549 ( -16.358 -0.911 -2.535) 16.578 22.051 ( 3.717 2.588 12.938) 13.708 22.160 ( 3.914 -2.808 7.615) 9.011 22.266 ( 13.857 -0.082 5.159) 14.786 22.504 ( 8.076 1.763 1.518) 8.405 23.425 ( -3.670 0.777 -8.629) 9.410 23.822 ( 1.046 0.460 5.640) 5.755 24.043 ( -1.028 -0.314 -0.574) 1.218 25.042 ( 6.905 -0.323 3.314) 7.666 25.503 ( 8.198 0.273 -3.551) 8.938 44.598 ( -1.992 0.874 5.270) 5.701 45.177 ( 3.704 0.185 -1.917) 4.175 45.255 ( 2.973 -0.150 1.342) 3.265 45.412 ( -2.539 0.284 -1.207) 2.825 45.423 ( -7.277 0.876 -2.935) 7.895 45.713 ( 1.529 -0.593 -6.400) 6.607 46.969 ( -3.191 -0.896 2.960) 4.444 47.280 ( -3.673 -1.070 -2.135) 4.381 47.671 ( 1.902 1.163 8.172) 8.470 48.350 ( 3.339 2.011 -3.518) 5.251 94.479 ( -2.175 -1.250 0.966) 2.688 94.798 ( -2.643 -0.026 -6.635) 7.142 95.129 ( -4.417 0.046 5.331) 6.923 95.276 ( 1.496 2.193 4.511) 5.234 95.466 ( -4.082 1.851 -2.225) 5.004 95.554 ( 2.581 -4.341 -1.138) 5.177 95.980 ( 1.421 0.511 -4.957) 5.182 96.389 ( -3.095 0.142 2.121) 3.755 96.619 ( 3.771 4.456 -12.066) 13.404 96.674 ( -0.892 1.052 -3.459) 3.723 96.802 ( 0.245 0.235 3.669) 3.685 97.051 ( 0.244 -3.819 17.404) 17.819 97.228 ( 3.223 -1.628 -0.086) 3.612 97.411 ( 4.488 -5.096 13.277) 14.913 98.775 ( -7.151 1.468 13.362) 15.226 100.216 ( 3.481 -1.090 -6.813) 7.728 101.369 ( 17.268 -0.174 3.101) 17.545 101.970 ( 32.133 0.585 -4.871) 32.506 102.927 ( -27.869 -1.868 0.807) 27.944 103.168 ( -32.969 -1.776 -3.260) 33.177 ======================= Grid point 119 (48/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 14.089 15.486) 20.936 1.650 ( 0.000 16.424 20.372) 26.168 2.056 ( -0.000 -13.969 6.794) 15.534 2.357 ( 0.000 3.345 4.454) 5.570 2.717 ( 0.000 0.008 -13.286) 13.286 2.812 ( 0.000 12.424 12.340) 17.511 2.829 ( 0.000 3.316 -10.581) 11.088 3.045 ( 0.000 14.103 -1.660) 14.200 3.124 ( 0.000 0.359 -9.185) 9.192 3.259 ( 0.000 0.217 -1.246) 1.264 3.520 ( 0.000 2.199 -27.538) 27.625 3.693 ( 0.000 0.235 11.686) 11.688 3.895 ( 0.000 0.265 -8.848) 8.852 3.942 ( 0.000 4.421 7.200) 8.449 4.088 ( -0.000 -2.769 -0.619) 2.838 4.205 ( -0.000 -2.379 -4.936) 5.479 4.309 ( 0.000 5.517 -2.173) 5.930 4.449 ( 0.000 2.772 15.873) 16.113 4.637 ( -0.000 -3.883 10.778) 11.456 4.777 ( 0.000 6.336 3.128) 7.066 4.869 ( 0.000 0.056 -1.898) 1.899 5.179 ( -0.000 -10.680 -13.215) 16.991 5.200 ( -0.000 -5.787 -0.965) 5.867 5.492 ( -0.000 -2.336 -5.414) 5.896 5.537 ( 0.000 4.192 -5.513) 6.926 5.588 ( -0.000 -4.146 -2.762) 4.982 5.633 ( -0.000 -0.557 3.256) 3.303 5.939 ( -0.000 -6.165 6.207) 8.748 6.021 ( -0.000 -4.281 -7.986) 9.061 6.147 ( -0.000 -3.265 -6.229) 7.033 6.306 ( -0.000 -9.657 -7.399) 12.166 6.348 ( -0.000 -1.299 -0.161) 1.309 6.653 ( -0.000 -1.547 0.712) 1.703 6.834 ( 0.000 0.715 -1.407) 1.578 7.126 ( -0.000 -0.487 0.765) 0.907 7.240 ( -0.000 -0.850 -4.786) 4.861 7.541 ( 0.000 1.611 8.873) 9.018 7.646 ( 0.000 2.375 2.244) 3.267 7.712 ( -0.000 -0.166 3.984) 3.988 7.909 ( -0.000 -0.898 -0.131) 0.907 8.106 ( 0.000 1.615 1.292) 2.068 8.247 ( 0.000 2.318 1.755) 2.907 8.298 ( 0.000 3.647 3.801) 5.268 8.299 ( 0.000 2.943 -1.751) 3.424 8.402 ( -0.000 -1.509 -1.282) 1.980 8.474 ( -0.000 -2.347 1.645) 2.866 8.837 ( 0.000 0.133 2.635) 2.639 9.576 ( 0.000 3.678 -12.151) 12.696 14.269 ( 0.000 1.161 -0.216) 1.181 14.410 ( -0.000 -2.353 -2.566) 3.482 14.871 ( 0.000 0.241 3.574) 3.582 15.224 ( -0.000 -1.068 -1.315) 1.694 15.849 ( -0.000 -4.538 20.823) 21.311 16.288 ( 0.000 0.067 11.346) 11.346 16.709 ( 0.000 4.150 6.800) 7.966 17.013 ( 0.000 2.157 -6.308) 6.667 17.196 ( 0.000 2.285 -8.752) 9.045 17.471 ( -0.000 -0.303 -2.135) 2.157 18.160 ( -0.000 -11.275 0.210) 11.277 18.371 ( -0.000 -0.024 13.449) 13.449 18.829 ( -0.000 -1.078 3.109) 3.290 18.896 ( -0.000 -1.914 8.715) 8.923 19.425 ( -0.000 -1.305 -28.414) 28.444 19.684 ( -0.000 -6.047 -4.133) 7.324 20.715 ( 0.000 4.290 8.629) 9.637 20.797 ( -0.000 -0.152 -3.808) 3.811 21.139 ( 0.000 0.884 -6.299) 6.361 21.242 ( 0.000 0.408 3.712) 3.735 21.301 ( -0.000 -2.617 -8.313) 8.715 22.064 ( 0.000 2.133 12.654) 12.832 22.219 ( -0.000 -2.226 7.924) 8.231 22.395 ( 0.000 0.321 4.554) 4.565 22.563 ( 0.000 1.985 1.394) 2.426 23.369 ( 0.000 1.119 -6.616) 6.710 23.832 ( 0.000 0.522 3.855) 3.890 24.035 ( -0.000 -0.391 -0.838) 0.925 25.111 ( -0.000 -0.864 3.435) 3.542 25.572 ( 0.000 0.509 -3.504) 3.541 44.572 ( 0.000 1.109 5.488) 5.599 45.223 ( 0.000 0.041 -0.674) 0.676 45.307 ( -0.000 -0.390 2.965) 2.991 45.308 ( 0.000 1.741 -6.110) 6.354 45.386 ( 0.000 0.218 -1.216) 1.235 45.732 ( -0.000 -0.656 -6.535) 6.567 46.951 ( -0.000 -1.253 2.945) 3.200 47.258 ( -0.000 -1.380 -2.022) 2.448 47.675 ( 0.000 1.646 8.241) 8.404 48.358 ( 0.000 2.781 -3.494) 4.466 94.473 ( -0.000 -1.731 0.825) 1.918 94.775 ( -0.000 -0.081 -6.447) 6.448 95.084 ( 0.000 0.290 5.216) 5.224 95.272 ( 0.000 1.780 5.599) 5.875 95.406 ( 0.000 2.888 -2.028) 3.529 95.621 ( -0.000 -5.173 -1.891) 5.508 95.986 ( 0.000 0.907 -5.514) 5.588 96.361 ( -0.000 -0.326 3.912) 3.925 96.604 ( 0.000 6.674 -11.759) 13.521 96.654 ( 0.000 0.870 -1.667) 1.880 96.800 ( 0.000 0.459 3.553) 3.582 97.102 ( -0.000 -5.843 16.152) 17.177 97.258 ( -0.000 -0.511 -2.861) 2.907 97.527 ( -0.000 -9.997 18.221) 20.784 98.695 ( 0.000 1.911 16.432) 16.542 100.267 ( -0.000 -2.354 -6.844) 7.238 101.561 ( -0.000 -0.047 4.874) 4.874 102.506 ( -0.000 -1.465 -8.140) 8.271 102.635 ( -0.000 -0.188 -0.022) 0.190 102.638 ( -0.000 -0.220 -0.071) 0.231 ======================= Grid point 126 (49/100) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -11.324 -0.000 2.165) 11.529 1.815 ( -4.237 -0.000 9.993) 10.854 2.047 ( -8.356 -0.000 5.107) 9.793 2.286 ( -8.719 -0.000 21.931) 23.600 2.692 ( 1.176 0.000 -7.301) 7.396 2.879 ( -0.843 -0.000 -9.078) 9.117 3.068 ( -13.256 -0.000 6.194) 14.632 3.165 ( -4.563 -0.000 -10.728) 11.658 3.241 ( 1.073 0.000 -12.631) 12.676 3.496 ( 5.132 0.000 -12.336) 13.361 3.517 ( 9.348 0.000 4.295) 10.288 3.671 ( -2.550 -0.000 -6.999) 7.449 3.896 ( 0.136 0.000 -9.366) 9.367 3.959 ( 5.471 0.000 6.127) 8.215 4.111 ( -2.831 -0.000 2.487) 3.768 4.225 ( -0.584 -0.000 -1.514) 1.623 4.351 ( 5.330 0.000 4.930) 7.260 4.392 ( -1.273 -0.000 1.821) 2.221 4.502 ( -2.019 -0.000 14.777) 14.915 4.789 ( 8.969 0.000 3.995) 9.818 4.903 ( -0.980 -0.000 1.212) 1.559 4.961 ( -0.043 -0.000 -8.295) 8.295 5.114 ( -0.229 -0.000 -3.528) 3.536 5.421 ( 4.880 0.000 -5.552) 7.392 5.548 ( -3.078 -0.000 -3.238) 4.468 5.566 ( -1.353 -0.000 -2.159) 2.548 5.727 ( -6.376 -0.000 0.612) 6.405 5.936 ( -5.958 -0.000 11.376) 12.842 6.081 ( -11.318 -0.000 -4.487) 12.175 6.106 ( -1.390 -0.000 -12.133) 12.213 6.180 ( -4.817 -0.000 -8.008) 9.346 6.339 ( -2.968 -0.000 -6.455) 7.105 6.719 ( -7.953 -0.000 4.368) 9.073 6.848 ( -0.170 -0.000 -1.727) 1.735 7.089 ( 2.989 0.000 -1.721) 3.449 7.218 ( 2.202 0.000 -5.001) 5.464 7.459 ( 9.944 0.000 8.975) 13.395 7.503 ( 14.153 0.000 4.290) 14.789 7.722 ( -0.195 -0.000 4.169) 4.174 7.966 ( 0.704 0.000 -0.885) 1.130 8.192 ( -4.790 -0.000 1.512) 5.023 8.204 ( -0.772 -0.000 1.156) 1.390 8.348 ( 4.110 0.000 2.785) 4.965 8.352 ( 1.953 0.000 0.382) 1.990 8.389 ( 1.381 0.000 0.720) 1.558 8.475 ( -8.551 -0.000 -1.764) 8.731 8.801 ( 4.242 0.000 2.850) 5.111 9.519 ( 11.506 0.000 -9.758) 15.087 14.375 ( -8.392 -0.000 -2.248) 8.688 14.403 ( -3.204 -0.000 -2.195) 3.883 14.691 ( 16.891 0.000 4.297) 17.429 14.977 ( 21.156 0.000 0.546) 21.163 15.973 ( -16.458 -0.000 14.539) 21.960 16.498 ( -18.293 -0.000 10.525) 21.105 16.839 ( -7.474 -0.000 6.914) 10.182 17.096 ( -6.089 -0.000 -8.596) 10.534 17.317 ( -9.142 -0.000 -7.723) 11.967 17.480 ( -1.574 -0.000 0.422) 1.629 18.014 ( -1.650 -0.000 -1.106) 1.986 18.484 ( -11.876 -0.000 12.409) 17.176 18.834 ( -5.461 -0.000 5.865) 8.014 18.924 ( -3.004 -0.000 4.923) 5.767 19.266 ( 11.645 0.000 -19.927) 23.080 19.701 ( -8.606 -0.000 -13.942) 16.384 20.772 ( 2.223 0.000 6.743) 7.100 20.803 ( -2.756 -0.000 -4.550) 5.320 21.012 ( 11.579 0.000 -1.396) 11.663 21.157 ( 0.025 0.000 -6.896) 6.896 21.541 ( -16.432 -0.000 -2.291) 16.591 22.100 ( 4.195 0.000 22.006) 22.402 22.109 ( 3.422 0.000 -0.899) 3.538 22.266 ( 14.109 0.000 5.156) 15.022 22.520 ( 7.918 0.000 1.365) 8.035 23.432 ( -3.653 -0.000 -8.506) 9.257 23.826 ( 1.009 0.000 5.558) 5.649 24.040 ( -1.000 -0.000 -0.534) 1.134 25.039 ( 6.699 0.000 3.343) 7.487 25.505 ( 8.249 0.000 -3.568) 8.987 44.607 ( -2.038 -0.000 5.282) 5.662 45.179 ( 3.771 0.000 -1.676) 4.127 45.253 ( 3.070 0.000 1.352) 3.355 45.414 ( -2.713 -0.000 -1.096) 2.926 45.432 ( -7.301 -0.000 -3.252) 7.992 45.707 ( 1.707 0.000 -6.566) 6.785 46.961 ( -3.231 -0.000 2.963) 4.384 47.270 ( -3.641 -0.000 -2.109) 4.208 47.682 ( 1.958 0.000 8.275) 8.503 48.369 ( 3.375 0.000 -3.553) 4.900 94.468 ( -2.166 -0.000 1.014) 2.392 94.797 ( -2.708 -0.000 -6.923) 7.434 95.130 ( -4.296 -0.000 5.710) 7.146 95.302 ( 1.528 0.000 3.890) 4.179 95.481 ( -2.938 -0.000 -2.390) 3.787 95.510 ( 1.509 0.000 -0.626) 1.634 95.985 ( 1.604 0.000 -5.223) 5.463 96.390 ( -3.522 -0.000 2.165) 4.134 96.659 ( 2.687 0.000 -8.996) 9.389 96.690 ( 0.905 0.000 -10.501) 10.540 96.802 ( 0.500 0.000 4.844) 4.869 97.011 ( -1.514 -0.000 21.716) 21.769 97.212 ( 4.786 0.000 -0.116) 4.787 97.369 ( 3.442 0.000 10.478) 11.029 98.790 ( -6.886 -0.000 12.322) 14.116 100.205 ( 2.944 0.000 -7.171) 7.752 101.368 ( 17.576 0.000 3.272) 17.878 101.975 ( 31.564 0.000 -5.012) 31.959 102.911 ( -26.682 -0.000 0.816) 26.695 103.151 ( -32.437 -0.000 -3.312) 32.605 ======================= Grid point 128 (50/100) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 10.142 11.064) 15.009 1.828 ( -0.000 -10.091 10.157) 14.317 1.909 ( 0.000 11.217 8.259) 13.930 2.250 ( -0.000 -8.293 14.670) 16.852 2.712 ( -0.000 -0.239 -12.648) 12.650 2.881 ( 0.000 1.774 -11.734) 11.867 2.924 ( 0.000 0.871 17.019) 17.041 3.124 ( -0.000 -0.179 -10.128) 10.129 3.237 ( 0.000 3.415 -12.471) 12.930 3.489 ( 0.000 19.069 4.516) 19.597 3.544 ( 0.000 0.620 -28.577) 28.584 3.679 ( -0.000 -2.920 8.023) 8.538 3.894 ( 0.000 0.382 -10.867) 10.873 4.007 ( 0.000 2.231 11.096) 11.319 4.071 ( -0.000 -0.123 -3.261) 3.264 4.196 ( 0.000 3.894 -2.492) 4.624 4.373 ( 0.000 1.792 3.717) 4.126 4.476 ( 0.000 0.438 16.145) 16.151 4.490 ( -0.000 -12.397 6.673) 14.078 4.881 ( 0.000 1.005 -1.946) 2.190 4.911 ( 0.000 6.407 -5.687) 8.566 4.950 ( -0.000 -9.172 -0.853) 9.211 5.121 ( -0.000 -2.498 -2.776) 3.734 5.467 ( -0.000 -6.284 -1.152) 6.388 5.496 ( 0.000 0.727 -4.754) 4.809 5.617 ( 0.000 3.523 -4.479) 5.699 5.636 ( 0.000 0.258 1.636) 1.657 5.880 ( -0.000 -1.140 10.160) 10.223 5.980 ( -0.000 -0.390 -7.375) 7.386 6.103 ( -0.000 -1.409 -7.152) 7.290 6.144 ( -0.000 -6.648 -16.186) 17.498 6.331 ( -0.000 -0.490 -0.287) 0.568 6.639 ( -0.000 -0.281 3.973) 3.983 6.845 ( 0.000 0.385 0.174) 0.423 7.118 ( -0.000 -0.319 -1.535) 1.568 7.238 ( 0.000 0.168 -6.460) 6.462 7.566 ( 0.000 0.885 10.358) 10.396 7.675 ( 0.000 0.851 3.440) 3.543 7.710 ( -0.000 -0.047 3.828) 3.828 7.898 ( -0.000 -0.292 0.000) 0.292 8.127 ( 0.000 0.613 1.367) 1.498 8.271 ( 0.000 0.739 0.819) 1.103 8.336 ( 0.000 1.054 -1.905) 2.177 8.362 ( 0.000 2.411 0.898) 2.572 8.380 ( 0.000 0.026 1.290) 1.290 8.429 ( -0.000 -2.629 1.601) 3.078 8.839 ( 0.000 0.075 2.752) 2.753 9.620 ( 0.000 1.223 -11.301) 11.367 14.289 ( 0.000 0.804 -0.716) 1.076 14.375 ( -0.000 -1.247 -2.092) 2.435 14.875 ( 0.000 0.115 3.577) 3.578 15.210 ( -0.000 -0.430 -0.869) 0.970 15.801 ( -0.000 -1.184 18.398) 18.436 16.290 ( 0.000 0.078 10.514) 10.514 16.761 ( 0.000 1.560 6.287) 6.478 17.039 ( 0.000 0.744 -7.458) 7.495 17.231 ( 0.000 1.229 -9.392) 9.472 17.467 ( -0.000 -0.122 -0.795) 0.804 18.022 ( -0.000 -3.983 -0.504) 4.015 18.372 ( 0.000 0.062 14.274) 14.274 18.783 ( -0.000 -2.077 5.548) 5.924 18.904 ( 0.000 0.954 6.137) 6.210 19.406 ( -0.000 -0.644 -29.504) 29.511 19.601 ( -0.000 -2.681 -4.110) 4.907 20.770 ( 0.000 1.796 0.253) 1.813 20.794 ( -0.000 -0.240 1.697) 1.714 21.154 ( 0.000 0.591 -7.045) 7.069 21.251 ( 0.000 0.380 3.898) 3.916 21.263 ( -0.000 -1.286 -7.672) 7.779 22.111 ( 0.000 3.050 11.361) 11.763 22.168 ( -0.000 -3.233 9.957) 10.468 22.400 ( 0.000 0.151 4.681) 4.684 22.589 ( 0.000 0.756 1.204) 1.422 23.384 ( 0.000 0.439 -6.363) 6.378 23.839 ( 0.000 0.235 3.702) 3.709 24.030 ( -0.000 -0.154 -0.779) 0.794 25.102 ( -0.000 -0.252 3.576) 3.585 25.578 ( 0.000 0.151 -3.577) 3.580 44.587 ( 0.000 0.444 5.533) 5.551 45.224 ( 0.000 0.017 -0.454) 0.454 45.303 ( -0.000 -0.116 2.780) 2.782 45.331 ( 0.000 0.699 -6.210) 6.250 45.388 ( 0.000 0.024 -1.132) 1.133 45.724 ( -0.000 -0.219 -6.800) 6.804 46.934 ( -0.000 -0.500 2.966) 3.007 47.240 ( -0.000 -0.557 -1.991) 2.068 47.696 ( 0.000 0.645 8.445) 8.470 48.394 ( 0.000 1.082 -3.556) 3.717 94.452 ( -0.000 -0.646 0.916) 1.121 94.773 ( -0.000 -0.051 -6.965) 6.966 95.088 ( 0.000 0.154 5.740) 5.742 95.308 ( 0.000 1.643 4.272) 4.577 95.443 ( 0.000 1.085 -2.299) 2.543 95.544 ( -0.000 -2.808 -0.906) 2.950 95.998 ( 0.000 0.382 -6.337) 6.349 96.356 ( -0.000 -0.133 4.146) 4.148 96.666 ( 0.000 0.348 -1.743) 1.778 96.697 ( 0.000 3.297 -16.429) 16.756 96.806 ( 0.000 0.179 3.432) 3.437 97.012 ( -0.000 -3.345 22.609) 22.855 97.251 ( -0.000 -0.204 -2.696) 2.704 97.419 ( -0.000 -2.783 12.911) 13.208 98.725 ( 0.000 1.011 13.708) 13.745 100.237 ( -0.000 -0.944 -7.316) 7.377 101.561 ( 0.000 0.002 4.634) 4.634 102.488 ( -0.000 -0.526 -8.618) 8.634 102.632 ( -0.000 -0.068 -0.030) 0.074 102.635 ( -0.000 -0.094 -0.070) 0.117 ======================= Grid point 170 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 0.000 29.490) 29.490 1.252 ( 0.000 0.000 29.798) 29.798 2.118 ( 0.000 0.000 -14.147) 14.147 2.238 ( 0.000 0.000 -19.919) 19.919 2.358 ( 0.000 0.000 37.376) 37.376 2.529 ( 0.000 0.000 -11.151) 11.151 2.643 ( 0.000 0.000 -14.505) 14.505 2.935 ( 0.000 0.000 -0.960) 0.960 3.016 ( 0.000 0.000 -6.997) 6.997 3.081 ( 0.000 0.000 2.481) 2.481 3.485 ( 0.000 0.000 -5.650) 5.650 3.757 ( 0.000 0.000 -3.073) 3.073 3.783 ( 0.000 0.000 -6.649) 6.649 3.863 ( 0.000 0.000 9.105) 9.105 3.974 ( 0.000 0.000 8.122) 8.122 4.081 ( 0.000 0.000 -14.950) 14.950 4.407 ( 0.000 0.000 -1.473) 1.473 4.604 ( 0.000 0.000 11.863) 11.863 4.652 ( 0.000 0.000 12.971) 12.971 4.727 ( 0.000 0.000 -21.670) 21.670 4.849 ( 0.000 0.000 3.369) 3.369 5.175 ( 0.000 0.000 -13.807) 13.807 5.289 ( 0.000 0.000 12.618) 12.618 5.453 ( 0.000 0.000 0.633) 0.633 5.534 ( 0.000 0.000 4.511) 4.511 5.568 ( 0.000 0.000 1.954) 1.954 5.742 ( 0.000 0.000 4.644) 4.644 6.077 ( 0.000 0.000 -10.808) 10.808 6.176 ( 0.000 0.000 3.048) 3.048 6.331 ( 0.000 0.000 1.290) 1.290 6.379 ( 0.000 0.000 -0.977) 0.977 6.586 ( 0.000 0.000 -16.443) 16.443 6.657 ( 0.000 0.000 6.039) 6.039 6.703 ( 0.000 0.000 0.275) 0.275 7.110 ( 0.000 0.000 2.448) 2.448 7.391 ( 0.000 0.000 -9.797) 9.797 7.450 ( 0.000 0.000 0.708) 0.708 7.560 ( 0.000 0.000 -3.759) 3.759 7.830 ( 0.000 0.000 5.164) 5.164 7.952 ( 0.000 0.000 -1.473) 1.473 8.061 ( 0.000 0.000 0.805) 0.805 8.096 ( 0.000 0.000 -1.119) 1.119 8.214 ( 0.000 0.000 5.949) 5.949 8.383 ( 0.000 0.000 -3.095) 3.095 8.408 ( 0.000 0.000 7.207) 7.207 8.562 ( 0.000 0.000 -0.248) 0.248 8.941 ( 0.000 0.000 -0.063) 0.063 9.029 ( 0.000 0.000 -4.612) 4.612 14.268 ( 0.000 0.000 2.347) 2.347 14.414 ( 0.000 0.000 -4.702) 4.702 14.956 ( 0.000 0.000 5.495) 5.495 15.188 ( 0.000 0.000 -5.298) 5.298 16.422 ( 0.000 0.000 11.912) 11.912 16.732 ( 0.000 0.000 12.507) 12.507 16.744 ( 0.000 0.000 -2.841) 2.841 16.846 ( 0.000 0.000 -1.203) 1.203 16.998 ( 0.000 0.000 -5.574) 5.574 17.318 ( 0.000 0.000 -11.605) 11.605 18.628 ( 0.000 0.000 12.375) 12.375 18.803 ( 0.000 0.000 3.015) 3.015 18.855 ( 0.000 0.000 1.568) 1.568 19.231 ( 0.000 0.000 -19.178) 19.178 19.294 ( 0.000 0.000 13.695) 13.695 19.786 ( 0.000 0.000 -9.076) 9.076 20.624 ( 0.000 0.000 -4.189) 4.189 20.673 ( 0.000 0.000 -6.328) 6.328 21.025 ( 0.000 0.000 -3.196) 3.196 21.187 ( 0.000 0.000 -10.764) 10.764 21.661 ( 0.000 0.000 16.066) 16.066 22.093 ( 0.000 0.000 -4.438) 4.438 22.472 ( 0.000 0.000 3.413) 3.413 22.504 ( 0.000 0.000 1.593) 1.593 22.525 ( 0.000 0.000 18.847) 18.847 23.130 ( 0.000 0.000 -11.508) 11.508 23.903 ( 0.000 0.000 4.239) 4.239 24.023 ( 0.000 0.000 -2.168) 2.168 25.224 ( 0.000 0.000 5.774) 5.774 25.465 ( 0.000 0.000 -5.139) 5.139 44.670 ( 0.000 0.000 9.287) 9.287 45.078 ( 0.000 0.000 -9.698) 9.698 45.219 ( 0.000 0.000 0.864) 0.864 45.315 ( 0.000 0.000 -2.980) 2.980 45.415 ( 0.000 0.000 4.523) 4.523 45.635 ( 0.000 0.000 -6.803) 6.803 47.080 ( 0.000 0.000 4.536) 4.536 47.258 ( 0.000 0.000 -3.814) 3.814 47.784 ( 0.000 0.000 10.321) 10.321 48.136 ( 0.000 0.000 -6.510) 6.510 94.577 ( 0.000 0.000 1.302) 1.302 94.685 ( 0.000 0.000 -4.177) 4.177 95.144 ( 0.000 0.000 2.700) 2.700 95.232 ( 0.000 0.000 -1.643) 1.643 95.469 ( 0.000 0.000 5.781) 5.781 95.727 ( 0.000 0.000 -6.256) 6.256 96.053 ( 0.000 0.000 0.449) 0.449 96.069 ( 0.000 0.000 -0.397) 0.397 96.448 ( 0.000 0.000 3.941) 3.941 96.578 ( 0.000 0.000 -2.496) 2.496 96.890 ( 0.000 0.000 7.111) 7.111 97.184 ( 0.000 0.000 -6.323) 6.323 97.491 ( 0.000 0.000 12.506) 12.506 98.060 ( 0.000 0.000 -14.290) 14.290 100.085 ( 0.000 0.000 0.883) 0.883 100.156 ( 0.000 0.000 -2.920) 2.920 101.887 ( 0.000 0.000 14.786) 14.786 102.409 ( 0.000 0.000 -10.150) 10.150 102.644 ( 0.000 0.000 0.003) 0.003 102.645 ( 0.000 0.000 -0.069) 0.069 ======================= Grid point 171 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.262 -15.320 23.375) 27.949 1.244 ( 0.847 -3.389 23.466) 23.725 2.237 ( 4.993 -3.925 -23.868) 24.698 2.318 ( 8.331 0.939 -15.271) 17.421 2.477 ( 13.149 -4.676 36.216) 38.812 2.588 ( 6.473 0.851 -7.651) 10.058 2.639 ( -1.121 0.459 -9.081) 9.161 2.919 ( 2.511 1.243 -6.802) 7.357 2.974 ( -3.652 2.333 -5.530) 7.025 3.144 ( 4.585 -1.326 1.139) 4.907 3.475 ( 1.774 2.229 1.235) 3.105 3.726 ( -6.087 -0.301 -6.040) 8.581 3.762 ( -2.157 -1.779 -7.747) 8.236 3.871 ( 0.117 -1.247 11.365) 11.433 4.022 ( 3.344 -1.139 7.413) 8.212 4.063 ( -1.097 -1.178 -12.674) 12.776 4.331 ( -4.093 1.212 2.149) 4.780 4.612 ( 2.067 1.125 8.193) 8.524 4.764 ( 9.104 1.897 11.158) 14.526 4.792 ( 4.822 -2.716 -19.309) 20.087 4.890 ( 4.019 -0.232 3.357) 5.242 5.166 ( -0.856 2.206 -8.051) 8.391 5.249 ( -4.613 -1.600 8.257) 9.593 5.411 ( -2.158 0.808 -2.888) 3.694 5.518 ( -0.599 3.527 6.618) 7.523 5.649 ( 7.019 -1.464 2.262) 7.518 5.774 ( 3.027 0.609 0.052) 3.088 6.019 ( -5.082 2.247 -11.784) 13.028 6.164 ( 1.312 0.267 3.087) 3.365 6.354 ( 1.170 1.997 -2.570) 3.459 6.429 ( 8.935 1.458 1.814) 9.233 6.655 ( 4.746 2.310 -6.077) 8.049 6.663 ( 1.119 -0.033 -1.033) 1.523 6.723 ( 3.397 0.845 -2.708) 4.426 7.116 ( 0.267 -0.647 2.818) 2.903 7.297 ( -9.882 -0.973 -3.561) 10.549 7.397 ( -4.652 0.205 -1.104) 4.785 7.430 ( -12.037 -1.470 -1.869) 12.270 7.826 ( -2.376 0.565 4.228) 4.883 7.956 ( -1.189 0.437 -1.598) 2.039 8.038 ( -3.383 -2.239 4.546) 6.093 8.131 ( 5.122 -0.957 -1.672) 5.472 8.348 ( 10.004 0.145 0.484) 10.017 8.387 ( 1.021 0.334 -0.430) 1.157 8.400 ( 0.753 0.081 3.846) 3.920 8.507 ( -5.626 0.413 -0.250) 5.646 8.871 ( -6.356 1.314 1.317) 6.623 8.993 ( -6.788 -4.173 -5.227) 9.530 14.313 ( 4.721 0.063 2.261) 5.235 14.496 ( 8.075 0.931 -7.536) 11.085 14.774 ( -17.940 -0.098 4.722) 18.551 14.941 ( -22.919 -0.209 -3.058) 23.123 16.570 ( -1.552 3.502 10.224) 10.918 16.654 ( 17.689 -1.063 7.548) 19.261 16.789 ( 3.828 -1.875 8.411) 9.429 16.903 ( 5.836 -0.810 -0.170) 5.895 17.255 ( 19.248 1.594 -5.540) 20.093 17.349 ( 3.405 -0.438 -10.271) 10.830 18.585 ( -10.068 4.326 1.915) 11.124 18.679 ( 1.840 -1.387 0.085) 2.305 19.017 ( 6.950 0.953 6.114) 9.306 19.225 ( 2.223 5.061 -11.930) 13.149 19.356 ( 8.817 2.077 9.182) 12.898 19.816 ( 3.411 2.580 -10.731) 11.552 20.623 ( -0.048 -0.444 -3.234) 3.265 20.695 ( 2.383 -0.241 -6.390) 6.824 21.013 ( -1.256 0.024 -3.217) 3.454 21.079 ( -8.633 0.563 -3.399) 9.295 21.766 ( 10.546 2.541 9.117) 14.170 22.087 ( -0.680 0.296 -3.425) 3.504 22.355 ( -11.188 0.420 4.824) 12.191 22.377 ( -12.681 -1.341 3.058) 13.114 22.526 ( -2.454 -0.573 16.995) 17.181 23.153 ( 0.873 -0.538 -12.793) 12.834 23.910 ( 1.034 -0.060 5.034) 5.140 24.039 ( 1.672 0.144 -1.935) 2.561 25.148 ( -8.416 -0.068 5.570) 10.093 25.387 ( -8.451 -0.146 -5.289) 9.971 44.682 ( 1.094 -0.467 8.924) 9.003 45.054 ( -2.051 -0.443 -7.649) 7.932 45.250 ( 1.814 -0.116 -0.197) 1.829 45.330 ( 1.325 -0.285 -2.872) 3.175 45.432 ( 2.661 0.271 3.675) 4.545 45.634 ( 0.229 0.482 -6.442) 6.464 47.106 ( 3.106 0.469 4.599) 5.569 47.287 ( 3.506 0.495 -3.931) 5.290 47.770 ( -1.989 -0.784 10.073) 10.298 48.115 ( -2.919 -1.066 -6.427) 7.139 94.596 ( 2.584 0.804 1.438) 3.064 94.707 ( 2.555 0.267 -4.095) 4.834 95.194 ( 4.575 -0.167 3.027) 5.488 95.277 ( 4.268 -1.164 -1.372) 4.632 95.443 ( -1.742 1.199 4.560) 5.026 95.678 ( -4.469 1.579 -6.136) 7.753 96.005 ( -2.032 2.927 1.768) 3.978 96.082 ( -2.919 -5.328 -1.979) 6.389 96.467 ( 1.964 0.004 2.624) 3.277 96.584 ( 0.481 -0.261 -2.502) 2.561 96.886 ( -0.333 -0.185 7.534) 7.544 97.162 ( -2.359 0.065 -4.729) 5.285 97.474 ( -1.648 0.614 11.173) 11.311 97.987 ( -7.420 2.225 -11.919) 14.215 99.804 ( -19.017 14.831 18.438) 30.357 100.092 ( -5.493 -3.875 -2.186) 7.069 101.468 ( -24.193 0.052 7.720) 25.395 101.827 ( -36.621 0.047 -7.350) 37.351 103.212 ( 37.141 2.849 -1.901) 37.299 103.259 ( 42.857 3.393 -6.721) 43.513 ======================= Grid point 172 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.580 -16.026 14.289) 23.122 1.425 ( 12.288 -10.737 11.310) 19.855 2.309 ( 1.540 -4.107 -11.861) 12.646 2.473 ( 5.590 -0.784 -17.334) 18.230 2.599 ( 1.075 0.673 -5.632) 5.773 2.632 ( -1.390 1.259 -5.920) 6.210 2.777 ( 7.791 -3.945 5.629) 10.390 3.005 ( 13.269 1.186 7.052) 15.073 3.010 ( 5.821 -0.553 -12.801) 14.074 3.209 ( 1.294 -1.038 2.849) 3.297 3.544 ( 6.648 3.438 5.844) 9.496 3.590 ( -4.086 1.365 -3.033) 5.268 3.719 ( -3.676 -0.798 -9.896) 10.587 3.859 ( -2.253 -1.517 14.839) 15.085 4.053 ( -0.052 -0.182 0.582) 0.612 4.133 ( 4.755 -5.431 -5.222) 8.909 4.302 ( 0.668 -1.221 4.674) 4.877 4.652 ( 2.915 0.375 7.267) 7.839 4.857 ( 3.454 3.643 6.771) 8.429 4.899 ( 4.474 -1.417 -6.320) 7.872 4.955 ( 1.908 1.740 -0.800) 2.703 5.077 ( -5.428 3.608 5.207) 8.342 5.187 ( -4.383 -2.643 -0.570) 5.149 5.408 ( 3.955 3.882 -8.253) 9.941 5.483 ( 2.720 5.252 1.892) 6.209 5.762 ( 1.163 -1.533 -1.190) 2.262 5.811 ( 2.167 1.542 -2.655) 3.759 5.932 ( 2.290 4.853 -7.531) 9.248 6.236 ( 5.805 -0.863 4.474) 7.380 6.393 ( 4.546 2.094 -2.898) 5.783 6.592 ( 10.234 0.160 1.170) 10.302 6.665 ( -0.413 0.556 -3.944) 4.004 6.697 ( 1.559 -0.764 -1.453) 2.263 6.780 ( 5.250 6.734 -8.332) 11.930 7.093 ( -8.676 -1.026 1.132) 8.809 7.134 ( -6.198 -3.256 0.410) 7.013 7.262 ( -7.004 -1.830 1.093) 7.321 7.313 ( -3.132 2.191 0.287) 3.833 7.738 ( -6.167 -0.672 4.014) 7.389 7.882 ( -6.503 0.289 -2.126) 6.848 8.010 ( -3.745 -3.121 5.937) 7.682 8.185 ( -0.917 -1.961 -3.153) 3.825 8.374 ( -4.233 1.292 0.957) 4.528 8.378 ( -1.231 1.291 1.053) 2.071 8.492 ( 7.104 -1.209 2.059) 7.494 8.533 ( 8.835 0.337 -1.522) 8.972 8.721 ( -9.613 -0.226 2.130) 9.849 8.866 ( -11.395 -4.239 -5.184) 13.217 14.366 ( -5.830 0.889 0.488) 5.917 14.404 ( -16.841 -0.194 0.573) 16.851 14.561 ( -10.321 0.019 0.534) 10.335 14.681 ( 6.023 0.251 -7.327) 9.488 16.606 ( 8.032 1.283 14.580) 16.695 16.885 ( 7.658 -1.754 7.360) 10.765 17.020 ( 14.639 -1.374 -6.382) 16.029 17.054 ( 12.064 -0.924 9.200) 15.200 17.432 ( 6.138 -0.617 -5.459) 8.238 17.577 ( 18.265 1.192 -2.106) 18.425 18.397 ( -5.637 5.403 0.357) 7.816 18.679 ( -2.932 0.975 -13.649) 13.995 19.058 ( -0.255 0.757 8.793) 8.830 19.218 ( 1.311 4.717 -2.903) 5.691 19.544 ( 14.281 4.680 2.626) 15.256 19.824 ( 1.487 4.746 -9.498) 10.721 20.644 ( 1.968 -1.076 -0.473) 2.292 20.762 ( 4.922 -0.336 -6.233) 7.949 20.951 ( -3.628 1.373 0.517) 3.914 20.990 ( -2.286 -0.946 -3.184) 4.033 21.920 ( 8.083 2.542 3.990) 9.366 22.055 ( -4.664 1.057 -0.730) 4.838 22.083 ( -14.792 0.043 5.238) 15.693 22.170 ( -12.445 -1.500 3.041) 12.899 22.458 ( -5.103 -1.076 17.097) 17.875 23.127 ( -4.984 -0.878 -14.539) 15.395 23.946 ( 2.869 -0.253 5.849) 6.520 24.071 ( 1.941 0.247 -1.177) 2.283 24.955 ( -12.714 -0.149 5.008) 13.665 25.193 ( -13.393 -0.359 -5.860) 14.624 44.719 ( 2.491 -0.913 8.007) 8.436 45.032 ( -0.825 -0.515 -5.864) 5.944 45.248 ( -1.709 0.220 1.251) 2.129 45.351 ( 0.088 -0.736 -3.177) 3.263 45.513 ( 6.133 0.185 0.913) 6.203 45.642 ( 1.655 0.968 -5.135) 5.482 47.176 ( 5.536 0.841 4.866) 7.419 47.368 ( 6.216 0.929 -4.141) 7.527 47.729 ( -3.664 -1.266 9.279) 10.056 48.054 ( -5.602 -1.865 -6.182) 8.548 94.652 ( 4.897 1.558 1.860) 5.465 94.769 ( 4.820 0.402 -3.830) 6.169 95.236 ( -2.343 -0.647 6.466) 6.908 95.373 ( 5.727 0.533 0.061) 5.752 95.453 ( 5.305 0.025 -0.769) 5.361 95.561 ( -6.679 1.099 -5.957) 9.016 95.946 ( -2.493 1.183 1.564) 3.172 96.059 ( -4.767 -4.983 -3.191) 7.599 96.508 ( 2.573 0.137 0.358) 2.601 96.596 ( 0.409 -0.507 -2.632) 2.711 96.887 ( 0.224 -0.593 8.186) 8.210 97.108 ( -3.496 -0.008 -0.867) 3.602 97.424 ( -3.115 1.110 8.133) 8.780 97.775 ( -12.316 4.392 -4.257) 13.752 99.462 ( -6.381 7.161 23.346) 25.240 100.012 ( -5.528 0.060 -6.031) 8.181 101.130 ( -16.262 0.908 -0.321) 16.291 101.262 ( -27.378 -1.761 -5.300) 27.942 103.762 ( 28.791 4.036 -0.707) 29.081 103.843 ( 29.241 6.980 -6.042) 30.663 ======================= Grid point 173 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 15.796 -7.667 6.614) 18.762 1.795 ( 14.819 -15.019 2.993) 21.310 2.393 ( 3.137 -4.561 -7.325) 9.182 2.473 ( -0.774 2.365 -9.600) 9.917 2.551 ( -5.588 -0.479 -1.785) 5.886 2.690 ( 3.972 -3.787 -9.942) 11.356 2.854 ( 0.832 3.017 -5.020) 5.915 3.041 ( -3.948 -0.118 -7.853) 8.791 3.214 ( 7.698 2.905 0.707) 8.258 3.239 ( 1.992 -2.587 -0.275) 3.277 3.443 ( -2.542 3.075 -7.240) 8.267 3.653 ( -4.159 -1.518 -7.932) 9.084 3.850 ( 18.780 -3.852 8.693) 21.050 3.877 ( 5.103 -0.043 14.649) 15.512 4.042 ( 0.402 1.389 1.021) 1.770 4.272 ( 1.801 -6.451 -0.692) 6.733 4.345 ( 2.616 -3.164 4.793) 6.311 4.695 ( 2.225 0.787 5.445) 5.934 4.833 ( -3.308 7.586 2.918) 8.775 4.856 ( -5.246 4.458 -4.685) 8.327 4.905 ( -4.323 -0.238 9.863) 10.771 5.033 ( 3.682 1.490 5.940) 7.146 5.147 ( -2.942 -2.431 -2.991) 4.849 5.441 ( 3.017 5.110 -9.743) 11.408 5.520 ( 5.982 6.568 -2.878) 9.339 5.777 ( 2.147 -1.075 1.020) 2.609 5.833 ( 2.294 -0.081 -8.825) 9.119 5.986 ( 5.667 4.357 -0.044) 7.148 6.346 ( 5.105 0.742 3.685) 6.340 6.440 ( 1.058 -0.128 -1.271) 1.659 6.622 ( -2.508 -1.274 -3.309) 4.343 6.688 ( -2.426 -1.362 -5.605) 6.257 6.795 ( 6.373 5.171 -4.410) 9.316 6.825 ( 10.266 0.774 -3.071) 10.743 6.910 ( -11.039 -2.403 3.834) 11.930 7.085 ( -4.054 -3.632 -2.400) 5.949 7.200 ( -1.299 2.464 2.398) 3.676 7.266 ( 0.549 2.575 -0.693) 2.722 7.662 ( -3.377 -1.867 3.248) 5.044 7.765 ( -5.988 -0.798 -1.436) 6.209 7.952 ( -5.090 -2.197 4.536) 7.163 8.109 ( -8.041 0.069 -2.848) 8.531 8.304 ( -1.297 -0.534 4.224) 4.450 8.398 ( 2.101 0.899 0.051) 2.285 8.530 ( -8.713 -0.014 2.867) 9.173 8.624 ( 5.301 0.661 1.430) 5.530 8.644 ( -2.919 -2.653 -0.910) 4.048 8.727 ( -3.068 -2.815 -4.679) 6.263 14.111 ( -12.762 0.238 0.411) 12.771 14.140 ( -13.829 -0.498 -1.350) 13.904 14.578 ( 4.114 -0.351 2.850) 5.017 14.781 ( 4.913 1.245 -7.664) 9.189 16.780 ( 11.145 -0.278 15.192) 18.844 17.057 ( 9.377 -2.680 5.636) 11.264 17.152 ( 2.823 -0.299 4.923) 5.683 17.313 ( 11.337 0.534 -5.500) 12.612 17.581 ( 10.519 -2.207 1.390) 10.837 17.861 ( 13.824 0.362 -2.353) 14.027 18.300 ( -0.595 4.616 -3.189) 5.642 18.564 ( -7.591 3.065 -16.761) 18.653 19.032 ( -0.928 1.090 6.619) 6.772 19.161 ( -3.983 2.852 -0.532) 4.928 19.714 ( 8.892 5.622 1.128) 10.580 19.832 ( 4.549 2.471 -6.545) 8.345 20.702 ( 2.643 -1.553 3.063) 4.334 20.855 ( 3.786 -0.067 -3.935) 5.461 20.935 ( 3.718 2.229 -2.386) 4.948 20.962 ( -1.287 -1.824 -4.460) 4.987 21.785 ( -14.061 -0.072 5.194) 14.990 21.880 ( -12.083 -0.532 -0.835) 12.123 21.994 ( -3.193 1.544 9.077) 9.745 22.079 ( -0.665 -0.316 10.018) 10.045 22.430 ( 3.470 0.250 6.302) 7.199 22.998 ( -10.427 -1.222 -14.269) 17.714 24.007 ( 3.342 -0.435 5.197) 6.194 24.095 ( 0.976 0.298 0.088) 1.025 24.749 ( -9.899 -0.516 3.227) 10.424 24.949 ( -13.908 -0.081 -5.718) 15.038 44.785 ( 3.956 -1.262 6.747) 7.923 45.022 ( -1.344 -0.045 -2.914) 3.209 45.212 ( -1.163 0.488 0.665) 1.426 45.336 ( -2.589 -0.790 -4.010) 4.838 45.617 ( 5.297 0.014 -0.585) 5.329 45.674 ( 2.713 0.963 -3.308) 4.385 47.279 ( 7.015 1.084 5.317) 8.869 47.474 ( 5.999 0.918 -3.150) 6.837 47.673 ( -3.135 -0.971 6.876) 7.619 47.954 ( -7.747 -2.245 -5.758) 9.910 94.736 ( 6.566 2.141 2.577) 7.372 94.862 ( 5.664 0.229 -2.973) 6.401 95.154 ( -5.859 -0.803 5.001) 7.744 95.383 ( -7.515 0.996 -5.597) 9.423 95.496 ( 5.366 1.034 2.251) 5.910 95.604 ( 8.121 -1.435 -2.706) 8.679 95.898 ( -2.537 -0.230 0.661) 2.632 96.008 ( -5.383 -3.527 -3.986) 7.570 96.549 ( 2.215 0.433 -1.116) 2.518 96.605 ( -0.069 -0.763 -3.058) 3.152 96.908 ( 1.355 -0.956 8.504) 8.664 97.049 ( -3.195 -0.149 3.678) 4.874 97.353 ( -3.458 1.138 5.061) 6.234 97.526 ( -10.458 4.417 1.646) 11.471 99.424 ( 5.074 2.134 12.972) 14.091 99.897 ( -7.236 1.031 -8.536) 11.238 100.835 ( -14.983 0.151 0.677) 14.999 100.941 ( -12.487 -1.041 -4.110) 13.187 104.138 ( 18.059 3.864 -0.479) 18.474 104.184 ( 16.702 5.413 -3.045) 17.820 ======================= Grid point 174 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 10.687 -1.267 -2.258) 10.996 2.149 ( 9.701 -11.754 -3.950) 15.744 2.402 ( -3.354 -1.527 5.453) 6.581 2.441 ( -3.462 3.774 -2.675) 5.777 2.536 ( 3.805 -0.892 -9.655) 10.415 2.754 ( 0.366 -2.053 -4.284) 4.764 2.776 ( -3.634 3.705 0.157) 5.192 2.939 ( -4.664 0.213 -5.531) 7.238 3.251 ( 1.236 -1.102 -5.901) 6.129 3.289 ( 1.336 3.729 -6.165) 7.328 3.420 ( -0.520 -1.750 -5.214) 5.524 3.622 ( -0.870 -1.014 -8.658) 8.761 3.965 ( 5.119 1.310 5.760) 7.816 4.036 ( 1.445 0.797 0.449) 1.710 4.249 ( 2.906 -5.092 2.001) 6.195 4.259 ( 9.647 -3.179 8.089) 12.985 4.453 ( 0.576 -4.971 1.503) 5.226 4.624 ( -8.473 6.601 -4.260) 11.555 4.684 ( -0.865 4.130 6.074) 7.395 4.775 ( -0.149 3.027 6.792) 7.438 4.877 ( -0.912 -1.266 7.023) 7.194 5.081 ( 1.832 0.349 7.919) 8.136 5.123 ( -1.295 -0.931 -4.590) 4.859 5.425 ( 0.329 2.715 -2.954) 4.025 5.566 ( 3.117 1.879 -7.063) 7.945 5.800 ( 0.105 -0.849 8.371) 8.414 5.858 ( 0.120 3.437 -6.431) 7.292 6.108 ( 10.703 -1.219 -5.731) 12.202 6.303 ( -7.816 2.022 -3.742) 8.898 6.474 ( 1.678 -0.822 4.817) 5.167 6.594 ( -1.282 -0.598 -5.666) 5.840 6.694 ( 1.567 -1.433 -3.713) 4.277 6.762 ( -4.717 0.285 -1.512) 4.961 6.811 ( -1.105 0.968 2.942) 3.288 6.989 ( 4.895 -0.550 -4.942) 6.978 7.057 ( -1.887 -1.731 -3.414) 4.268 7.184 ( 2.042 2.058 2.254) 3.672 7.283 ( 2.544 1.463 -1.327) 3.221 7.640 ( -1.067 -0.885 1.982) 2.419 7.696 ( -2.735 -0.535 -0.766) 2.890 7.899 ( -2.001 -1.045 2.205) 3.155 7.976 ( -4.961 0.635 -1.348) 5.180 8.295 ( -0.529 -0.226 6.590) 6.615 8.400 ( -3.919 -0.300 2.949) 4.914 8.427 ( 0.468 0.030 -0.109) 0.482 8.544 ( -4.317 -0.847 -3.018) 5.335 8.701 ( 1.967 -0.535 2.047) 2.889 8.767 ( 1.722 -0.380 -2.333) 2.924 13.955 ( -4.585 0.097 0.072) 4.587 13.982 ( -4.651 -0.339 -1.252) 4.828 14.633 ( 1.603 -0.111 2.800) 3.228 14.828 ( 1.552 0.544 -6.772) 6.969 16.972 ( 9.383 -1.465 14.338) 17.197 17.115 ( -4.812 1.392 11.539) 12.579 17.244 ( 6.786 -2.094 2.224) 7.442 17.398 ( 0.394 1.141 -2.587) 2.855 17.836 ( 13.683 -2.430 -1.916) 14.029 18.000 ( 0.494 0.172 -4.594) 4.623 18.276 ( 0.661 1.908 -7.979) 8.231 18.395 ( -6.539 2.523 -14.351) 15.971 19.022 ( 0.743 0.642 3.745) 3.872 19.067 ( -3.448 1.048 1.774) 4.017 19.770 ( 2.417 1.868 2.301) 3.824 19.904 ( 3.356 1.021 -6.567) 7.445 20.758 ( 3.069 -0.735 3.668) 4.839 20.831 ( -4.455 -0.048 1.358) 4.658 21.006 ( 4.180 1.157 -6.612) 7.908 21.018 ( 3.312 -0.877 -7.384) 8.140 21.624 ( -3.331 0.140 3.083) 4.541 21.680 ( -9.147 -0.573 -0.296) 9.169 21.937 ( -1.635 0.799 17.093) 17.189 22.042 ( -2.517 -0.583 17.435) 17.626 22.572 ( 11.784 1.409 -6.503) 13.533 22.802 ( -12.627 -1.437 -11.671) 17.255 24.058 ( 1.832 -0.357 3.839) 4.269 24.098 ( -0.202 0.271 1.719) 1.752 24.656 ( -0.771 -0.713 -0.271) 1.084 24.740 ( -8.881 0.435 -3.906) 9.712 44.876 ( 4.849 -1.339 5.029) 7.113 44.968 ( -4.180 0.906 2.080) 4.756 45.218 ( 1.931 0.275 -2.388) 3.083 45.286 ( -3.195 -0.438 -4.412) 5.465 45.684 ( 2.078 -0.096 -1.120) 2.362 45.706 ( 1.218 0.457 -2.214) 2.568 47.395 ( 7.139 1.231 5.745) 9.245 47.495 ( -4.182 -0.938 4.336) 6.097 47.699 ( 6.704 1.399 -2.164) 7.182 47.827 ( -8.827 -2.177 -4.974) 10.363 94.837 ( 6.758 2.200 3.444) 7.897 94.918 ( -1.714 -1.167 1.596) 2.617 95.112 ( 2.611 -0.336 -1.592) 3.077 95.228 ( -8.620 0.162 -5.136) 10.035 95.571 ( 3.030 0.783 3.741) 4.877 95.746 ( 5.598 -0.841 -3.845) 6.843 95.865 ( -1.016 -0.356 -0.102) 1.082 95.937 ( -4.714 -1.285 -3.594) 6.065 96.573 ( 0.953 0.423 -1.311) 1.675 96.608 ( -0.212 -0.554 -3.783) 3.829 96.948 ( 2.045 -0.775 8.636) 8.908 97.001 ( -2.320 0.065 7.144) 7.512 97.300 ( -1.368 0.223 3.589) 3.847 97.360 ( -4.425 2.273 2.882) 5.749 99.552 ( 9.388 0.078 2.721) 9.775 99.740 ( -9.405 0.753 -5.605) 10.974 100.661 ( -4.901 -0.317 2.498) 5.510 100.797 ( -4.402 -0.033 -3.790) 5.808 104.325 ( 6.204 1.674 -0.569) 6.451 104.343 ( 5.414 1.882 -1.525) 5.931 ======================= Grid point 180 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 12.856 0.000 18.293) 22.358 1.346 ( 12.841 0.000 11.472) 17.219 2.268 ( 2.202 0.000 -13.188) 13.370 2.467 ( 6.727 0.000 -18.833) 19.998 2.608 ( -1.458 -0.000 -5.294) 5.491 2.645 ( -2.103 -0.000 -7.696) 7.978 2.739 ( 12.019 0.000 9.705) 15.448 3.003 ( 5.311 0.000 -12.888) 13.939 3.018 ( 12.096 0.000 4.183) 12.799 3.197 ( 1.891 0.000 5.433) 5.753 3.588 ( 9.096 0.000 7.752) 11.951 3.605 ( -6.716 -0.000 -5.321) 8.568 3.709 ( -3.933 -0.000 -9.107) 9.920 3.842 ( -1.385 -0.000 14.715) 14.780 4.042 ( 0.324 0.000 -9.564) 9.569 4.085 ( 3.844 0.000 4.835) 6.177 4.292 ( -0.252 -0.000 3.680) 3.688 4.656 ( 2.466 0.000 8.076) 8.444 4.858 ( 2.354 0.000 -9.757) 10.037 4.924 ( 6.677 0.000 11.955) 13.694 4.965 ( 3.630 0.000 -2.681) 4.513 5.134 ( -4.091 -0.000 -7.199) 8.280 5.139 ( -6.000 -0.000 10.516) 12.107 5.441 ( 4.236 0.000 -10.027) 10.885 5.539 ( 3.212 0.000 6.103) 6.896 5.742 ( 1.118 0.000 -1.845) 2.158 5.826 ( 1.825 0.000 -1.951) 2.671 5.985 ( 2.634 0.000 -8.007) 8.429 6.222 ( 5.287 0.000 4.503) 6.945 6.416 ( 4.491 0.000 -4.841) 6.603 6.571 ( 3.230 0.000 4.590) 5.613 6.668 ( -0.573 -0.000 -4.349) 4.387 6.705 ( 6.560 0.000 -1.377) 6.703 6.854 ( 5.605 0.000 -8.364) 10.068 7.087 ( -5.071 -0.000 0.814) 5.136 7.088 ( -12.310 -0.000 -0.720) 12.331 7.244 ( -5.066 -0.000 1.531) 5.292 7.336 ( -2.254 -0.000 -0.043) 2.255 7.731 ( -7.302 -0.000 3.996) 8.324 7.887 ( -6.922 -0.000 -2.783) 7.460 7.979 ( -2.915 -0.000 6.768) 7.369 8.165 ( -0.633 -0.000 -3.418) 3.477 8.385 ( -7.204 -0.000 0.785) 7.247 8.396 ( 1.080 0.000 1.392) 1.761 8.475 ( 7.084 0.000 2.388) 7.476 8.538 ( 9.290 0.000 -2.509) 9.623 8.723 ( -10.367 -0.000 1.080) 10.423 8.823 ( -10.243 -0.000 -3.488) 10.821 14.376 ( -3.739 -0.000 0.559) 3.780 14.400 ( -19.109 -0.000 1.243) 19.150 14.561 ( -12.573 -0.000 0.499) 12.583 14.684 ( 8.219 0.000 -8.758) 12.010 16.617 ( 6.836 0.000 14.733) 16.242 16.870 ( 6.888 0.000 7.459) 10.153 17.007 ( 15.653 0.000 -6.411) 16.915 17.045 ( 12.730 0.000 8.901) 15.533 17.427 ( 5.698 0.000 -5.798) 8.129 17.589 ( 17.746 0.000 -2.238) 17.886 18.448 ( -6.547 -0.000 -0.047) 6.547 18.687 ( -1.687 -0.000 -13.287) 13.394 19.064 ( -0.364 -0.000 9.349) 9.357 19.264 ( -0.797 -0.000 -4.482) 4.553 19.587 ( 14.264 0.000 2.810) 14.538 19.869 ( 0.201 0.000 -9.155) 9.158 20.635 ( 1.884 0.000 -0.805) 2.049 20.758 ( 4.952 0.000 -6.422) 8.109 20.967 ( -3.392 -0.000 -0.726) 3.469 20.980 ( -2.423 -0.000 -2.829) 3.725 21.948 ( 7.175 0.000 3.301) 7.898 22.064 ( -6.923 -0.000 -0.264) 6.928 22.085 ( -12.614 -0.000 4.301) 13.327 22.155 ( -11.927 -0.000 3.750) 12.502 22.447 ( -4.902 -0.000 17.289) 17.970 23.119 ( -4.955 -0.000 -14.600) 15.418 23.944 ( 2.812 0.000 5.959) 6.589 24.073 ( 1.928 0.000 -1.284) 2.317 24.954 ( -12.815 -0.000 5.002) 13.757 25.189 ( -13.327 -0.000 -5.801) 14.535 44.710 ( 2.472 0.000 8.036) 8.408 45.028 ( -0.646 -0.000 -6.074) 6.109 45.250 ( -1.501 -0.000 1.073) 1.845 45.345 ( 0.064 0.000 -2.985) 2.986 45.514 ( 6.015 0.000 1.178) 6.129 45.651 ( 1.611 0.000 -5.157) 5.403 47.184 ( 5.508 0.000 4.887) 7.363 47.376 ( 6.181 0.000 -4.140) 7.439 47.718 ( -3.499 -0.000 9.094) 9.744 48.036 ( -5.516 -0.000 -6.083) 8.212 94.667 ( 4.995 0.000 1.684) 5.271 94.772 ( 4.716 0.000 -3.349) 5.784 95.231 ( -2.186 -0.000 6.345) 6.711 95.376 ( 7.176 0.000 -0.732) 7.213 95.459 ( 4.455 0.000 -0.787) 4.524 95.570 ( -8.174 -0.000 -6.342) 10.346 95.976 ( -4.782 -0.000 0.646) 4.825 95.991 ( -2.236 -0.000 -0.178) 2.244 96.509 ( 2.658 0.000 -0.069) 2.659 96.592 ( 0.382 0.000 -2.425) 2.455 96.882 ( 0.134 0.000 8.338) 8.339 97.108 ( -3.555 -0.000 -1.113) 3.725 97.434 ( -3.188 -0.000 8.067) 8.674 97.814 ( -12.671 -0.000 -6.032) 14.034 99.538 ( -11.809 -0.000 22.755) 25.637 100.009 ( -4.274 -0.000 -4.059) 5.894 101.141 ( -14.703 -0.000 -1.544) 14.783 101.244 ( -28.902 -0.000 -4.833) 29.303 103.796 ( 28.135 0.000 -0.392) 28.137 103.918 ( 28.453 0.000 -8.853) 29.798 ======================= Grid point 181 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 22.208 -6.823 10.929) 25.675 1.645 ( 17.615 -3.009 2.474) 18.041 2.336 ( 4.528 -1.659 -8.546) 9.812 2.511 ( -0.925 1.712 -10.770) 10.944 2.539 ( -5.423 -0.916 -3.483) 6.510 2.640 ( 3.708 -1.553 -9.892) 10.678 2.912 ( 7.538 2.640 -10.298) 13.032 3.031 ( -3.025 -0.708 -10.959) 11.391 3.191 ( -3.630 -1.877 5.581) 6.917 3.256 ( 10.868 1.346 4.293) 11.763 3.506 ( -2.643 2.948 -5.720) 6.957 3.618 ( -5.895 -1.916 -8.407) 10.446 3.813 ( 15.763 -0.420 11.096) 19.282 3.874 ( 5.718 -0.353 13.674) 14.825 4.056 ( 0.514 0.074 -3.376) 3.416 4.169 ( 3.652 -3.372 0.910) 5.053 4.318 ( 2.301 -0.579 6.317) 6.748 4.698 ( 2.476 -0.106 4.128) 4.815 4.847 ( -4.881 -1.122 -1.713) 5.293 4.945 ( -3.446 3.869 0.688) 5.227 4.968 ( -1.384 3.310 10.887) 11.463 5.055 ( 0.362 1.116 3.909) 4.081 5.094 ( -2.567 -3.140 -0.426) 4.078 5.510 ( 3.516 2.127 -11.595) 12.302 5.637 ( 3.071 6.181 -3.431) 7.708 5.733 ( 5.308 -4.074 -2.669) 7.204 5.831 ( -0.662 0.101 -1.888) 2.003 6.073 ( 6.020 3.966 0.020) 7.209 6.335 ( 6.321 -1.576 5.211) 8.343 6.466 ( 0.272 3.227 -2.803) 4.283 6.568 ( -3.067 -4.667 -1.390) 5.755 6.657 ( -1.479 -0.840 -9.625) 9.774 6.842 ( -1.870 0.756 -1.287) 2.393 6.861 ( 4.210 0.781 -0.878) 4.371 6.911 ( -3.462 3.524 -1.208) 5.086 7.006 ( -4.299 -4.793 -2.790) 7.017 7.229 ( 1.067 0.879 3.314) 3.591 7.314 ( 0.493 1.882 -0.524) 2.015 7.634 ( -3.125 -0.989 3.141) 4.540 7.751 ( -7.124 -0.573 -2.390) 7.536 7.924 ( -3.679 -0.883 5.563) 6.728 8.108 ( -6.428 -0.089 -3.177) 7.171 8.298 ( -1.878 -0.148 4.052) 4.468 8.418 ( 1.638 0.979 -0.081) 1.910 8.528 ( -9.949 -0.124 2.349) 10.223 8.578 ( -0.638 -2.260 1.085) 2.587 8.659 ( -0.311 1.353 -1.276) 1.885 8.690 ( 2.856 -1.461 -3.326) 4.621 14.115 ( -12.600 0.151 0.186) 12.602 14.133 ( -14.331 -0.255 -1.016) 14.369 14.573 ( 4.382 -0.129 3.036) 5.332 14.797 ( 4.579 0.530 -8.800) 9.934 16.774 ( 9.896 -0.234 16.072) 18.875 17.026 ( 10.225 -0.825 5.534) 11.656 17.147 ( 3.757 -0.193 3.559) 5.179 17.319 ( 12.351 0.178 -5.822) 13.656 17.554 ( 9.716 -0.763 1.679) 9.890 17.865 ( 13.002 0.124 -2.423) 13.226 18.364 ( -2.182 2.132 -2.947) 4.242 18.607 ( -6.650 1.422 -17.049) 18.355 19.045 ( -1.036 0.322 7.296) 7.376 19.198 ( -5.664 1.144 -1.284) 5.920 19.791 ( 7.779 2.976 -0.892) 8.377 19.844 ( -0.303 -0.697 -3.362) 3.447 20.685 ( 3.232 -0.425 1.882) 3.764 20.854 ( 4.471 -0.020 -4.061) 6.040 20.938 ( -1.684 -0.737 -3.698) 4.130 20.969 ( 3.901 1.205 -3.714) 5.519 21.785 ( -14.009 0.026 5.079) 14.901 21.876 ( -12.569 -0.060 -0.494) 12.579 22.027 ( -2.599 1.919 8.667) 9.250 22.064 ( -2.219 -1.284 11.966) 12.237 22.433 ( 5.146 0.121 4.856) 7.076 22.982 ( -10.520 -0.481 -14.333) 17.786 24.001 ( 3.364 -0.154 5.412) 6.374 24.099 ( 0.938 0.117 -0.116) 0.953 24.742 ( -10.087 -0.207 3.347) 10.630 24.948 ( -13.541 -0.053 -5.923) 14.780 44.769 ( 3.963 -0.496 6.918) 7.988 45.021 ( -0.732 -0.036 -3.653) 3.726 45.219 ( -1.214 0.216 0.620) 1.380 45.325 ( -2.380 -0.334 -3.390) 4.156 45.618 ( 5.216 0.040 -0.298) 5.225 45.687 ( 2.391 0.397 -3.518) 4.272 47.293 ( 6.992 0.424 5.398) 8.844 47.484 ( 4.945 0.254 -2.389) 5.498 47.662 ( -1.783 -0.294 5.737) 6.015 47.925 ( -7.539 -0.898 -5.538) 9.398 94.767 ( 6.805 1.023 2.218) 7.230 94.863 ( 5.144 0.002 -1.704) 5.419 95.146 ( -5.836 -0.225 5.110) 7.761 95.400 ( -9.328 0.656 -6.820) 11.574 95.511 ( 6.683 0.509 0.794) 6.749 95.582 ( 8.013 -0.850 -2.166) 8.344 95.888 ( -4.713 -0.568 1.568) 4.999 95.962 ( -2.487 -1.342 -2.244) 3.608 96.555 ( 2.512 0.214 -2.245) 3.376 96.595 ( -0.232 -0.350 -2.415) 2.451 96.896 ( 1.416 -0.332 8.697) 8.817 97.047 ( -3.192 -0.032 3.124) 4.466 97.367 ( -3.907 0.441 5.235) 6.547 97.583 ( -11.817 1.712 0.097) 11.941 99.457 ( 2.336 1.171 13.608) 13.856 99.909 ( -7.154 0.365 -7.354) 10.266 100.838 ( -16.684 0.120 -0.011) 16.685 100.927 ( -10.410 -0.435 -4.138) 11.211 104.181 ( 16.171 1.197 -0.003) 16.215 104.270 ( 14.356 3.045 -5.162) 15.557 ======================= Grid point 182 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 16.943 -1.128 0.602) 16.991 1.958 ( 14.232 -7.970 -0.652) 16.325 2.381 ( -0.572 -0.737 4.818) 4.907 2.506 ( 0.545 2.612 -7.123) 7.606 2.537 ( 6.824 0.987 -9.974) 12.125 2.707 ( 1.506 -3.053 -4.908) 5.973 2.880 ( -5.690 7.797 -1.885) 9.835 2.942 ( -4.717 0.353 -6.973) 8.426 3.186 ( -0.403 -6.333 -7.688) 9.969 3.366 ( 5.021 3.219 0.423) 5.979 3.415 ( -5.104 2.612 -7.455) 9.405 3.583 ( -0.404 -3.175 -7.232) 7.909 3.989 ( 5.398 1.204 8.213) 9.902 4.054 ( 0.583 0.882 -1.497) 1.832 4.129 ( 14.069 -5.302 3.621) 15.465 4.216 ( -1.649 -4.022 4.698) 6.401 4.379 ( 3.426 -1.655 4.577) 5.952 4.696 ( -9.904 0.899 -6.773) 12.033 4.758 ( 4.050 1.957 2.135) 4.979 4.825 ( -7.204 3.866 10.762) 13.515 4.911 ( 1.221 4.773 8.422) 9.758 5.072 ( -0.522 -1.263 9.178) 9.280 5.090 ( -0.571 -2.624 -3.828) 4.676 5.487 ( -3.015 3.928 -5.870) 7.680 5.584 ( -2.155 -0.055 -7.149) 7.467 5.782 ( -2.563 -0.425 5.634) 6.204 5.947 ( 7.704 4.382 -6.974) 11.278 6.106 ( 5.301 1.370 -1.334) 5.635 6.344 ( -9.451 1.675 -2.825) 10.006 6.446 ( 3.623 -1.020 6.309) 7.346 6.569 ( -1.398 -2.670 -5.034) 5.867 6.658 ( 1.220 -2.590 -7.085) 7.642 6.750 ( -3.299 -1.223 2.630) 4.393 6.834 ( -2.735 2.687 -2.883) 4.798 6.980 ( 2.043 -1.214 -3.275) 4.046 6.997 ( 0.288 -3.741 -2.983) 4.793 7.233 ( 0.833 2.666 1.751) 3.297 7.319 ( 1.116 1.995 -1.275) 2.617 7.628 ( 0.820 -0.358 1.747) 1.963 7.680 ( -2.041 -1.053 -0.747) 2.415 7.883 ( -0.933 -0.636 3.092) 3.291 7.987 ( -5.162 0.564 -1.892) 5.526 8.291 ( -0.050 -0.199 6.473) 6.477 8.394 ( -3.871 -0.319 2.493) 4.615 8.435 ( 0.635 0.806 -0.188) 1.043 8.512 ( -3.263 -2.255 -2.549) 4.715 8.705 ( 3.123 0.613 1.824) 3.668 8.762 ( 2.512 -0.155 -2.181) 3.330 13.957 ( -4.893 0.089 -0.131) 4.895 13.976 ( -3.976 -0.247 -1.041) 4.117 14.631 ( 1.805 -0.061 2.911) 3.425 14.837 ( 0.649 0.404 -7.260) 7.300 16.946 ( 8.716 -1.219 15.518) 17.841 17.135 ( -4.332 0.778 9.730) 10.679 17.216 ( 8.825 -1.038 3.264) 9.466 17.416 ( 0.281 0.796 -4.221) 4.304 17.799 ( 14.807 -1.505 -1.361) 14.946 17.999 ( 0.967 -0.231 -4.655) 4.760 18.320 ( -0.906 2.459 -7.267) 7.725 18.444 ( -8.812 2.546 -14.951) 17.541 19.031 ( -0.211 0.323 4.279) 4.296 19.082 ( -5.467 0.595 1.722) 5.763 19.779 ( -2.791 -0.474 2.077) 3.511 19.902 ( 0.657 -0.848 -5.902) 5.998 20.751 ( 4.185 -0.171 2.004) 4.643 20.833 ( -3.858 0.227 2.751) 4.743 20.989 ( 2.916 -0.951 -7.780) 8.363 21.045 ( 4.530 1.699 -6.879) 8.410 21.630 ( -2.612 0.403 2.900) 3.924 21.676 ( -8.517 0.021 0.256) 8.521 21.956 ( -3.051 1.251 18.614) 18.904 22.027 ( -1.659 -1.084 16.242) 16.363 22.596 ( 12.224 1.155 -6.866) 14.068 22.778 ( -12.895 -1.133 -11.678) 17.434 24.054 ( 2.200 -0.179 4.081) 4.640 24.102 ( -0.430 0.141 1.471) 1.539 24.645 ( -0.642 -0.444 0.124) 0.790 24.746 ( -8.514 0.279 -4.361) 9.570 44.855 ( 5.033 -0.873 5.455) 7.474 44.982 ( -3.549 0.562 1.215) 3.793 45.224 ( 2.045 0.388 -2.686) 3.398 45.276 ( -3.130 -0.530 -3.628) 4.821 45.683 ( 2.034 -0.025 -0.914) 2.230 45.714 ( 0.761 0.424 -2.431) 2.582 47.414 ( 7.086 0.790 5.796) 9.188 47.478 ( -4.996 -0.793 4.962) 7.086 47.722 ( 7.931 1.028 -3.305) 8.654 47.794 ( -8.420 -1.432 -4.544) 9.674 94.875 ( 5.520 1.807 3.125) 6.596 94.902 ( -1.774 -0.568 2.899) 3.445 95.106 ( 3.102 -0.298 -1.119) 3.311 95.229 ( -9.208 -0.048 -6.169) 11.083 95.591 ( 2.343 1.274 2.431) 3.608 95.728 ( 6.489 -1.076 -3.573) 7.485 95.838 ( -1.769 -2.119 1.115) 2.977 95.925 ( -1.974 -0.133 -3.361) 3.901 96.579 ( -0.095 0.223 -1.639) 1.657 96.600 ( 1.061 -0.319 -3.838) 3.995 96.937 ( 2.723 -0.425 8.699) 9.125 97.002 ( -2.065 0.002 6.724) 7.034 97.303 ( -2.623 0.146 3.758) 4.585 97.399 ( -6.789 1.807 2.433) 7.435 99.556 ( 8.530 0.319 3.165) 9.103 99.752 ( -10.078 0.493 -5.487) 11.485 100.656 ( -4.455 -0.202 2.553) 5.139 100.797 ( -4.157 0.054 -3.983) 5.757 104.340 ( 2.996 0.492 -0.029) 3.036 104.390 ( 2.670 2.463 -2.642) 4.491 ======================= Grid point 183 (59/100) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.637 1.907 -3.237) 7.627 2.265 ( 7.801 -0.684 -8.500) 11.557 2.424 ( 5.925 1.541 7.067) 9.350 2.474 ( -1.646 8.005 3.496) 8.889 2.562 ( -0.346 1.813 -6.584) 6.837 2.737 ( -1.505 -0.584 2.851) 3.276 2.790 ( 4.177 1.680 -5.222) 6.895 2.923 ( 3.575 -1.327 -6.829) 7.821 3.233 ( -0.275 -3.276 -11.266) 11.736 3.270 ( -5.481 2.085 -7.289) 9.355 3.443 ( 2.822 0.680 -3.152) 4.285 3.616 ( 1.222 -1.587 -8.019) 8.265 3.951 ( -5.846 -0.161 3.865) 7.010 4.034 ( -4.426 0.523 1.023) 4.573 4.236 ( 3.607 -2.400 4.973) 6.595 4.381 ( -7.165 4.473 2.003) 8.680 4.437 ( 11.511 -6.551 -0.734) 13.265 4.539 ( -4.751 0.704 1.375) 4.996 4.696 ( -2.863 -2.680 7.005) 8.028 4.730 ( -3.140 5.161 2.568) 6.564 4.916 ( 1.416 2.284 9.291) 9.671 5.057 ( -2.463 -2.322 6.378) 7.220 5.121 ( 1.743 -1.230 -3.204) 3.850 5.398 ( -4.321 -0.239 -2.107) 4.813 5.523 ( -6.926 -2.862 -6.008) 9.605 5.764 ( -0.592 -2.430 0.141) 2.505 5.899 ( -2.017 5.577 0.077) 5.931 6.137 ( -10.976 1.736 -7.290) 13.291 6.275 ( 7.583 -1.404 -3.997) 8.686 6.466 ( -1.541 -1.534 3.989) 4.543 6.595 ( 1.827 -0.378 -3.342) 3.827 6.702 ( 0.482 -1.773 -0.064) 1.839 6.755 ( -4.008 -0.215 -4.520) 6.045 6.781 ( 4.960 -0.582 4.129) 6.480 6.980 ( -2.888 -2.846 -5.431) 6.777 7.054 ( 1.917 -0.761 -5.847) 6.200 7.183 ( -3.402 1.625 3.358) 5.049 7.278 ( -3.789 0.587 -0.567) 3.876 7.656 ( 2.395 0.883 1.659) 3.044 7.697 ( 3.136 -0.332 -0.439) 3.184 7.916 ( 4.028 0.760 1.284) 4.296 7.968 ( 4.013 -0.179 -0.852) 4.106 8.299 ( 0.956 0.137 6.775) 6.844 8.404 ( 4.411 0.139 2.896) 5.278 8.433 ( -0.375 0.650 -0.023) 0.750 8.537 ( 3.847 -1.303 -2.817) 4.943 8.726 ( 0.744 1.934 1.451) 2.530 8.775 ( -0.764 0.435 -2.022) 2.205 13.954 ( 4.455 -0.068 0.239) 4.462 13.987 ( 5.197 0.281 -1.437) 5.400 14.635 ( -1.347 0.116 2.668) 2.991 14.819 ( -2.559 -0.410 -6.278) 6.792 16.993 ( -10.222 0.932 12.956) 16.529 17.089 ( 5.635 -1.455 13.559) 14.755 17.284 ( -3.324 2.211 0.632) 4.042 17.380 ( -1.813 -0.753 -1.071) 2.236 17.876 ( -11.993 1.784 -2.411) 12.362 17.991 ( 1.105 -0.784 -4.672) 4.864 18.267 ( -3.739 0.948 -8.911) 9.710 18.362 ( 3.458 -1.115 -13.008) 13.506 19.010 ( -2.118 -0.672 3.731) 4.342 19.047 ( 1.419 -1.119 1.955) 2.662 19.714 ( -7.239 -3.952 2.567) 8.638 19.863 ( -6.568 -3.196 -7.649) 10.576 20.777 ( -1.537 1.234 5.257) 5.614 20.835 ( 4.800 0.277 -0.017) 4.808 20.979 ( -5.000 -1.192 -5.865) 7.798 21.048 ( -2.489 1.697 -7.711) 8.278 21.626 ( 3.871 0.388 3.264) 5.078 21.695 ( 9.767 0.956 -0.963) 9.861 21.928 ( 0.630 -0.274 15.982) 15.997 22.048 ( 3.075 0.109 18.364) 18.620 22.550 ( -11.830 -1.031 -5.960) 13.287 22.825 ( 12.899 1.111 -11.789) 17.510 24.066 ( -1.319 0.491 3.481) 3.755 24.093 ( -0.135 -0.389 2.113) 2.153 24.669 ( 0.883 0.689 -0.798) 1.375 24.732 ( 9.283 -0.416 -3.406) 9.897 44.899 ( -4.619 1.178 4.518) 6.568 44.952 ( 4.823 -0.838 2.986) 5.734 45.215 ( -2.183 -0.035 -2.264) 3.145 45.291 ( 3.713 0.110 -5.001) 6.230 45.685 ( -1.875 0.005 -1.242) 2.249 45.701 ( -2.006 -0.064 -2.076) 2.888 47.373 ( -7.173 -1.119 5.606) 9.172 47.507 ( 2.452 0.421 2.969) 3.874 47.677 ( -4.468 -0.906 -0.191) 4.563 47.865 ( 9.231 1.893 -5.396) 10.859 94.803 ( -7.059 -1.534 3.921) 8.219 94.941 ( -0.483 1.308 -0.451) 1.466 95.120 ( -0.845 0.551 -1.317) 1.659 95.221 ( 7.899 -0.662 -3.440) 8.641 95.564 ( -4.025 -0.039 4.095) 5.742 95.755 ( -4.525 0.180 -4.443) 6.344 95.856 ( 1.618 -1.035 0.454) 1.974 95.960 ( 6.559 0.997 -5.069) 8.349 96.565 ( -1.339 -0.425 -0.776) 1.605 96.618 ( 0.841 0.526 -4.065) 4.184 96.962 ( -1.296 0.762 8.544) 8.676 96.999 ( 2.948 -0.135 7.598) 8.151 97.290 ( 0.635 -1.009 4.218) 4.383 97.332 ( 0.531 -0.576 2.566) 2.683 99.555 ( -10.340 0.369 2.087) 10.555 99.727 ( 8.891 -0.710 -5.535) 10.497 100.667 ( 5.320 0.284 2.478) 5.876 100.798 ( 4.743 0.145 -3.616) 5.966 104.285 ( -9.767 -2.042 0.168) 9.979 104.331 ( -8.181 -0.194 -2.009) 8.426 ======================= Grid point 184 (60/100) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -10.872 6.311 4.810) 13.460 2.107 ( -9.380 17.306 1.793) 19.766 2.420 ( -2.501 -2.162 -11.021) 11.506 2.499 ( 1.052 5.613 -1.583) 5.926 2.558 ( 4.922 0.384 1.529) 5.168 2.755 ( -3.055 2.449 -6.981) 8.004 2.833 ( 5.018 1.662 -2.043) 5.667 3.024 ( 1.866 -2.061 -4.829) 5.572 3.176 ( -2.964 -0.703 -5.978) 6.710 3.255 ( -1.555 -1.120 -9.808) 9.994 3.427 ( -1.344 1.373 -3.691) 4.161 3.663 ( 3.211 -0.525 -7.173) 7.877 3.880 ( -1.762 0.200 11.605) 11.740 3.914 ( -13.433 1.121 1.253) 13.538 4.052 ( -9.631 5.122 8.929) 14.097 4.341 ( 3.760 2.222 6.142) 7.537 4.439 ( -5.684 4.541 -2.907) 7.835 4.656 ( -0.014 -3.839 9.515) 10.261 4.709 ( 0.889 -5.110 2.407) 5.718 4.737 ( 7.518 -6.055 -5.793) 11.258 4.921 ( 1.225 -1.677 11.387) 11.574 5.017 ( -3.113 0.789 0.648) 3.276 5.169 ( 2.590 -0.429 -1.968) 3.281 5.353 ( -3.042 -4.084 -7.041) 8.690 5.415 ( -8.522 -4.973 -3.594) 10.501 5.773 ( -1.550 -2.151 -6.703) 7.208 5.833 ( -2.537 1.199 -1.764) 3.314 5.953 ( -7.607 0.617 -3.161) 8.261 6.330 ( -2.626 -0.748 1.378) 3.059 6.436 ( -3.636 -1.047 -0.547) 3.823 6.631 ( 0.817 -1.036 -1.948) 2.353 6.661 ( -7.402 -3.801 -0.181) 8.323 6.698 ( -4.757 -4.363 -4.107) 7.651 6.839 ( -4.659 1.553 -3.169) 5.844 6.964 ( 8.398 2.975 0.021) 8.909 7.096 ( 2.154 -3.121 -2.637) 4.619 7.180 ( 4.366 1.685 2.875) 5.493 7.244 ( 0.961 -0.190 0.017) 0.979 7.693 ( 3.174 1.435 3.064) 4.639 7.773 ( 5.253 -0.014 -0.646) 5.293 7.997 ( 6.700 2.591 2.926) 7.757 8.104 ( 9.216 -0.549 -2.159) 9.482 8.315 ( 1.182 0.554 4.666) 4.845 8.393 ( -2.676 0.384 0.368) 2.729 8.528 ( 7.167 -0.232 2.550) 7.611 8.592 ( -2.413 -2.081 0.193) 3.193 8.701 ( -1.774 2.788 0.312) 3.319 8.790 ( 8.504 3.955 -4.784) 10.528 14.107 ( 12.631 -0.200 0.636) 12.648 14.150 ( 13.444 0.494 -1.759) 13.567 14.585 ( -3.720 0.447 2.541) 4.527 14.757 ( -5.305 -1.271 -6.030) 8.131 16.782 ( -12.771 0.029 14.029) 18.972 17.115 ( -6.716 3.294 7.297) 10.450 17.158 ( -2.964 0.663 4.937) 5.796 17.300 ( -9.939 -0.857 -4.768) 11.057 17.628 ( -11.427 2.813 1.045) 11.814 17.853 ( -14.941 -0.493 -2.280) 15.122 18.220 ( -2.387 -3.871 -3.751) 5.895 18.512 ( 8.600 -2.493 -16.584) 18.847 19.008 ( 0.589 -1.553 6.178) 6.397 19.104 ( 1.617 -3.294 0.819) 3.760 19.596 ( -11.808 -7.241 2.129) 14.014 19.759 ( -8.162 -5.190 -9.087) 13.271 20.737 ( -2.364 2.111 3.355) 4.615 20.857 ( -3.397 0.162 -4.178) 5.387 20.902 ( -2.570 -1.242 -0.652) 2.927 20.997 ( 0.651 1.904 -4.895) 5.292 21.788 ( 14.023 0.362 5.294) 14.993 21.894 ( 11.036 0.980 -1.673) 11.205 21.973 ( 3.526 -0.888 7.747) 8.558 22.080 ( -0.176 -0.048 9.554) 9.555 22.425 ( -1.301 -0.245 8.386) 8.490 23.022 ( 10.373 1.393 -14.210) 17.648 24.016 ( -3.329 0.597 4.859) 5.920 24.089 ( -0.971 -0.379 0.446) 1.133 24.759 ( 9.569 0.605 2.978) 10.040 24.950 ( 14.380 0.008 -5.426) 15.370 44.811 ( -3.942 1.447 6.476) 7.718 45.022 ( 2.319 -0.043 -1.720) 2.887 45.203 ( 0.950 -0.445 0.570) 1.194 45.351 ( 3.067 0.789 -4.920) 5.851 45.618 ( -5.373 0.163 -1.048) 5.477 45.656 ( -3.330 -1.031 -2.905) 4.537 47.258 ( -7.039 -1.254 5.173) 8.825 47.453 ( -6.949 -1.362 -3.755) 8.015 47.695 ( 4.551 1.341 8.065) 9.357 47.999 ( 8.054 2.504 -6.076) 10.395 94.698 ( -6.428 -1.988 2.974) 7.356 94.856 ( -6.362 -0.343 -4.488) 7.794 95.175 ( 5.917 1.531 4.672) 7.693 95.366 ( 6.850 -1.087 -4.226) 8.122 95.477 ( -5.599 -1.047 3.921) 6.915 95.629 ( -7.921 1.243 -3.368) 8.697 95.896 ( 2.038 -0.305 0.711) 2.180 96.070 ( 7.218 3.039 -7.165) 10.615 96.540 ( -1.990 -0.464 0.085) 2.045 96.620 ( 0.047 0.807 -3.561) 3.652 96.928 ( -1.297 1.192 8.269) 8.455 97.054 ( 3.341 0.433 4.413) 5.552 97.330 ( 2.672 -1.404 5.080) 5.909 97.439 ( 7.916 -4.969 3.520) 9.987 99.393 ( -7.789 -1.257 11.708) 14.118 99.875 ( 6.899 -1.245 -9.897) 12.128 100.833 ( 13.620 -0.010 1.638) 13.718 100.961 ( 14.487 1.159 -4.165) 15.118 104.045 ( -21.123 -5.400 0.432) 21.807 104.111 ( -18.614 -3.124 -2.555) 19.046 ======================= Grid point 185 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.667 9.573 13.313) 17.701 1.771 ( -7.335 23.176 7.627) 25.477 2.368 ( -3.070 1.091 -10.435) 10.932 2.502 ( 1.913 2.227 -9.641) 10.078 2.610 ( -7.003 1.575 -8.046) 10.782 2.617 ( -0.227 1.475 -2.783) 3.158 2.853 ( 0.518 3.582 -1.930) 4.102 2.974 ( -10.567 -1.812 -0.911) 10.760 3.036 ( -10.877 2.859 -2.664) 11.558 3.221 ( -1.986 -0.088 -5.477) 5.826 3.491 ( -0.395 -2.026 5.294) 5.682 3.598 ( -2.775 3.036 3.205) 5.214 3.737 ( 4.077 1.502 -8.954) 9.952 3.885 ( 2.705 1.077 13.443) 13.755 4.032 ( 1.314 -2.374 3.271) 4.250 4.254 ( -6.748 7.276 -7.933) 12.705 4.338 ( -1.984 2.734 6.230) 7.087 4.644 ( -2.950 -0.864 7.230) 7.856 4.762 ( -0.940 -5.415 5.732) 7.941 4.898 ( 1.438 -4.486 -3.996) 6.178 4.935 ( -4.351 -0.354 -1.236) 4.537 5.025 ( 7.086 -0.612 5.607) 9.057 5.221 ( 3.883 -0.151 -0.856) 3.979 5.305 ( -5.678 -6.066 -4.761) 9.576 5.388 ( -0.469 -4.823 -5.195) 7.105 5.759 ( -2.157 -3.495 -12.701) 13.348 5.792 ( -3.054 0.786 2.246) 3.871 5.858 ( -2.390 -2.341 -2.707) 4.304 6.241 ( -6.716 -0.249 4.898) 8.316 6.350 ( -6.784 -2.656 -2.436) 7.682 6.518 ( -12.819 -6.600 -0.449) 14.425 6.605 ( -7.275 -7.981 -7.064) 12.905 6.702 ( 1.665 -0.165 -4.244) 4.562 6.750 ( -1.579 4.042 -2.567) 5.042 7.109 ( 5.982 0.504 1.493) 6.186 7.165 ( 4.328 -1.032 0.302) 4.459 7.279 ( 8.086 0.991 3.113) 8.721 7.315 ( 8.364 2.653 0.607) 8.796 7.750 ( 4.379 0.687 4.066) 6.016 7.879 ( 6.195 -0.173 -1.828) 6.461 8.076 ( 5.004 4.029 4.810) 8.025 8.222 ( 1.698 1.804 -2.503) 3.521 8.351 ( 1.311 -0.914 1.511) 2.200 8.358 ( 2.724 -0.923 0.812) 2.988 8.498 ( -7.184 -0.566 1.720) 7.409 8.534 ( -7.106 0.453 -0.780) 7.164 8.737 ( 8.210 1.495 3.457) 9.033 8.954 ( 12.604 5.218 -7.354) 15.497 14.350 ( 6.924 -0.760 0.077) 6.966 14.402 ( 14.370 -0.465 -0.945) 14.408 14.560 ( 5.895 -0.033 1.176) 6.011 14.679 ( -0.745 0.070 -4.433) 4.495 16.576 ( -10.597 -1.831 14.449) 18.011 16.930 ( -9.820 3.076 5.607) 11.719 17.052 ( -11.493 2.034 -5.283) 12.812 17.073 ( -10.980 1.138 10.043) 14.924 17.450 ( -7.606 1.352 -4.449) 8.915 17.551 ( -18.923 -1.578 -2.024) 19.096 18.276 ( 3.237 -7.636 1.094) 8.366 18.656 ( 5.193 -1.398 -15.329) 16.245 19.031 ( -1.479 -2.444 7.931) 8.429 19.121 ( -3.641 -5.262 1.179) 6.507 19.430 ( -14.283 -7.777 2.198) 16.411 19.716 ( -2.922 -6.819 -10.307) 12.699 20.669 ( -2.271 1.557 -1.083) 2.959 20.767 ( -4.991 0.226 -5.802) 7.657 20.933 ( 4.458 -0.377 2.576) 5.163 21.009 ( 1.515 1.109 -3.909) 4.337 21.877 ( -9.720 -2.009 4.225) 10.787 22.031 ( 3.921 -1.368 -1.002) 4.272 22.087 ( 15.923 0.411 6.137) 17.070 22.202 ( 13.350 1.905 2.309) 13.682 22.479 ( 5.630 1.235 17.074) 18.021 23.148 ( 5.052 1.391 -14.385) 15.309 23.953 ( -3.012 0.456 5.574) 6.352 24.065 ( -1.938 -0.335 -0.915) 2.170 24.958 ( 12.299 0.134 5.077) 13.306 25.200 ( 13.570 0.400 -5.956) 14.825 44.740 ( -2.538 1.413 7.931) 8.446 45.044 ( 1.289 0.755 -5.298) 5.505 45.243 ( 2.178 -0.376 1.660) 2.765 45.369 ( -0.079 1.204 -3.664) 3.857 45.509 ( -6.434 -0.117 0.209) 6.438 45.619 ( -1.808 -1.544 -5.037) 5.570 47.157 ( -5.601 -1.294 4.802) 7.490 47.345 ( -6.257 -1.498 -4.104) 7.631 47.759 ( 4.033 1.947 9.710) 10.693 48.097 ( 5.813 2.804 -6.422) 9.105 94.618 ( -4.738 -2.049 2.210) 5.616 94.759 ( -5.020 -0.701 -4.808) 6.986 95.253 ( 2.726 1.234 6.499) 7.154 95.358 ( -4.427 -0.859 1.970) 4.922 95.466 ( -5.596 1.161 -1.868) 6.013 95.532 ( 4.089 -2.010 -4.693) 6.541 95.933 ( 1.906 -0.402 1.825) 2.670 96.149 ( 5.692 4.721 -7.557) 10.574 96.505 ( -2.366 -0.227 1.295) 2.706 96.608 ( -0.455 0.783 -3.016) 3.149 96.902 ( -0.515 0.977 7.825) 7.902 97.110 ( 3.322 0.202 -0.327) 3.344 97.397 ( 2.916 -1.813 8.318) 8.999 97.666 ( 10.819 -7.371 0.073) 13.092 99.336 ( -1.340 -6.009 22.573) 23.398 99.997 ( 5.803 -1.617 -9.649) 11.375 101.117 ( 17.757 -0.463 1.749) 17.849 101.297 ( 25.928 1.954 -5.908) 26.664 103.648 ( -30.857 -7.700 0.314) 31.805 103.734 ( -28.630 -4.868 -3.620) 29.266 ======================= Grid point 186 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.670 9.043 22.280) 24.055 1.467 ( -1.923 26.003 14.542) 29.855 2.301 ( -4.950 -0.378 -10.430) 11.551 2.368 ( -6.110 9.404 -18.880) 21.960 2.556 ( -3.882 -0.243 -8.488) 9.336 2.614 ( 0.221 -1.169 0.266) 1.219 2.629 ( -13.005 8.897 24.864) 29.436 2.892 ( -4.632 -1.725 -10.278) 11.405 2.914 ( 2.359 -3.285 -2.489) 4.749 3.160 ( -5.844 -0.194 -6.752) 8.932 3.425 ( -0.721 -2.436 3.408) 4.250 3.735 ( 7.945 0.877 -3.701) 8.808 3.810 ( 7.072 2.982 -6.408) 9.999 3.910 ( -0.106 2.897 9.195) 9.641 4.044 ( -1.906 0.860 6.239) 6.581 4.106 ( -2.879 3.655 -9.202) 10.312 4.298 ( -0.440 -1.995 3.572) 4.115 4.597 ( -2.519 -0.017 1.027) 2.720 4.727 ( -5.463 -1.555 10.222) 11.694 4.851 ( -3.517 2.436 -13.601) 14.258 4.890 ( -3.485 -0.252 4.219) 5.478 5.113 ( 1.090 -2.904 -1.308) 3.366 5.287 ( 4.235 1.943 1.468) 4.885 5.369 ( 5.081 -4.521 -2.232) 7.158 5.432 ( 0.240 -5.063 2.321) 5.575 5.668 ( -7.503 0.134 0.700) 7.536 5.752 ( -1.724 -1.811 -1.086) 2.726 5.955 ( 6.166 -4.351 -10.498) 12.929 6.139 ( -5.041 -2.850 1.702) 6.036 6.291 ( -3.269 -4.452 0.272) 5.530 6.380 ( -7.124 -4.181 -1.900) 8.476 6.543 ( -9.060 -8.965 -11.271) 17.014 6.676 ( -2.594 1.399 0.812) 3.057 6.733 ( 1.497 1.647 -1.469) 2.667 7.130 ( -0.260 0.710 2.549) 2.659 7.290 ( 5.678 -2.878 -2.968) 7.023 7.422 ( 9.646 3.692 2.136) 10.547 7.471 ( 11.358 3.015 0.281) 11.754 7.813 ( 1.950 -0.668 4.610) 5.050 7.952 ( 0.783 -0.026 -2.119) 2.260 8.096 ( 1.800 3.733 3.776) 5.606 8.159 ( -4.003 2.036 -0.732) 4.550 8.343 ( -8.865 -0.233 0.589) 8.887 8.379 ( 1.557 -0.258 0.579) 1.681 8.403 ( -3.643 0.434 2.743) 4.581 8.493 ( 4.935 -1.130 -0.189) 5.067 8.857 ( 5.436 0.035 3.449) 6.437 9.093 ( 8.153 6.147 -8.929) 13.564 14.312 ( -4.539 -0.049 1.682) 4.841 14.467 ( -6.906 -2.235 -6.374) 9.660 14.778 ( 17.597 0.279 4.964) 18.285 14.947 ( 21.864 0.470 -2.846) 22.054 16.483 ( -4.069 -5.628 13.128) 14.852 16.672 ( -14.906 0.878 6.533) 16.299 16.845 ( -5.380 4.053 8.963) 11.212 16.928 ( -5.494 1.817 -0.170) 5.789 17.213 ( -18.780 -2.662 -4.577) 19.512 17.362 ( -3.787 0.987 -9.604) 10.371 18.461 ( 8.698 -9.327 3.551) 13.238 18.697 ( -1.074 0.558 -0.902) 1.509 18.970 ( -8.494 -4.898 3.539) 10.424 19.104 ( -3.964 -5.975 -8.032) 10.767 19.286 ( -7.265 -5.546 8.822) 12.703 19.737 ( -1.900 -5.722 -9.841) 11.542 20.640 ( 0.068 1.425 -3.225) 3.526 20.699 ( -2.427 0.199 -6.021) 6.495 21.011 ( 1.305 -0.221 -3.234) 3.494 21.067 ( 7.643 -0.628 -2.798) 8.163 21.706 ( -11.122 -3.258 11.073) 16.029 22.077 ( 1.193 -0.703 -3.615) 3.871 22.353 ( 12.238 0.248 4.792) 13.145 22.408 ( 11.508 1.967 3.528) 12.196 22.545 ( 2.370 1.409 16.520) 16.749 23.170 ( -0.680 1.367 -12.649) 12.741 23.913 ( -1.152 0.200 4.870) 5.009 24.035 ( -1.662 -0.301 -1.748) 2.430 25.147 ( 8.295 -0.232 5.564) 9.991 25.393 ( 8.254 0.417 -5.600) 9.983 44.697 ( -1.119 1.193 8.967) 9.114 45.068 ( 2.382 1.107 -7.388) 7.841 45.253 ( -1.533 0.298 -0.050) 1.563 45.340 ( -1.565 0.756 -2.827) 3.318 45.424 ( -2.946 -0.632 3.131) 4.346 45.618 ( -0.097 -1.250 -6.588) 6.706 47.090 ( -3.129 -1.190 4.597) 5.686 47.271 ( -3.497 -1.280 -3.893) 5.388 47.796 ( 2.115 1.969 10.350) 10.746 48.150 ( 3.007 2.659 -6.588) 7.715 94.571 ( -2.513 -1.828 1.706) 3.545 94.698 ( -2.628 -0.725 -4.706) 5.438 95.202 ( -4.609 0.731 3.717) 5.966 95.311 ( -3.324 2.370 -1.489) 4.346 95.411 ( 1.094 -1.886 5.264) 5.698 95.634 ( 3.454 -3.083 -5.256) 7.004 95.971 ( 1.576 -1.096 2.890) 3.469 96.183 ( 3.332 5.572 -7.011) 9.556 96.467 ( -1.861 -0.011 3.030) 3.556 96.593 ( -0.475 0.669 -2.695) 2.817 96.892 ( 0.080 0.474 7.308) 7.324 97.160 ( 2.249 -0.123 -4.469) 5.004 97.453 ( 1.635 -1.626 11.615) 11.841 97.904 ( 7.602 -7.087 -7.688) 12.928 99.486 ( 6.667 -17.248 28.794) 34.221 100.113 ( 5.835 -1.433 -7.982) 9.991 101.467 ( 22.741 -0.034 7.335) 23.895 101.826 ( 34.814 0.003 -7.850) 35.688 103.110 ( -37.535 -6.920 -0.217) 38.168 103.195 ( -36.715 -3.487 -4.006) 37.097 ======================= Grid point 187 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 24.826 21.486) 32.833 1.295 ( 0.000 4.623 28.472) 28.845 2.194 ( 0.000 8.190 -9.720) 12.711 2.249 ( 0.000 0.978 -19.062) 19.087 2.426 ( 0.000 7.750 32.691) 33.597 2.516 ( -0.000 -1.254 -9.723) 9.803 2.643 ( -0.000 -0.608 -10.203) 10.221 2.867 ( -0.000 -4.135 -6.075) 7.349 3.033 ( -0.000 -4.969 3.615) 6.145 3.056 ( 0.000 1.828 -9.245) 9.424 3.459 ( -0.000 -2.659 -4.613) 5.324 3.800 ( 0.000 4.702 -1.348) 4.892 3.848 ( -0.000 -0.847 6.219) 6.276 3.850 ( 0.000 7.293 -6.101) 9.508 3.998 ( 0.000 0.619 5.174) 5.211 4.082 ( 0.000 0.587 -8.076) 8.097 4.350 ( -0.000 -5.566 1.375) 5.733 4.575 ( -0.000 -1.363 -0.224) 1.381 4.661 ( 0.000 0.897 12.564) 12.596 4.784 ( 0.000 4.642 -13.003) 13.807 4.849 ( -0.000 -0.087 3.426) 3.427 5.145 ( -0.000 -2.963 -7.639) 8.193 5.312 ( 0.000 2.295 6.226) 6.636 5.453 ( -0.000 -0.666 -2.071) 2.175 5.479 ( -0.000 -4.954 4.999) 7.038 5.586 ( 0.000 0.628 0.769) 0.993 5.739 ( -0.000 -0.370 4.257) 4.273 6.051 ( -0.000 -2.874 -10.572) 10.956 6.140 ( -0.000 -4.375 0.440) 4.397 6.291 ( -0.000 -3.815 2.456) 4.537 6.376 ( -0.000 -0.753 -1.518) 1.694 6.494 ( -0.000 -8.817 -13.094) 15.786 6.651 ( -0.000 -0.284 1.033) 1.072 6.730 ( 0.000 1.950 -0.144) 1.955 7.119 ( 0.000 0.860 2.665) 2.801 7.373 ( -0.000 -2.790 -7.664) 8.156 7.489 ( 0.000 4.655 1.357) 4.848 7.579 ( 0.000 1.966 -1.708) 2.605 7.823 ( -0.000 -0.672 4.970) 5.016 7.939 ( -0.000 -1.187 -1.335) 1.786 8.070 ( 0.000 1.333 1.352) 1.898 8.133 ( 0.000 3.295 -1.663) 3.691 8.219 ( 0.000 0.860 5.665) 5.730 8.377 ( -0.000 -0.711 -1.129) 1.334 8.404 ( -0.000 -0.205 5.331) 5.335 8.553 ( -0.000 -1.051 -0.297) 1.092 8.913 ( -0.000 -1.292 2.435) 2.757 9.109 ( 0.000 6.566 -8.393) 10.656 14.267 ( -0.000 -0.028 2.102) 2.102 14.404 ( -0.000 -1.024 -4.490) 4.606 14.957 ( 0.000 0.089 5.536) 5.536 15.187 ( -0.000 -0.207 -5.069) 5.073 16.406 ( -0.000 -1.886 12.229) 12.373 16.672 ( -0.000 -6.863 2.446) 7.286 16.757 ( 0.000 2.667 12.115) 12.405 16.862 ( 0.000 1.653 -1.060) 1.964 16.998 ( -0.000 -0.015 -6.001) 6.001 17.323 ( 0.000 0.580 -11.245) 11.260 18.630 ( 0.000 0.263 12.496) 12.498 18.715 ( -0.000 -10.131 3.268) 10.645 18.860 ( 0.000 0.472 1.451) 1.526 19.133 ( -0.000 -8.787 -18.094) 20.114 19.268 ( -0.000 -2.898 13.751) 14.053 19.755 ( -0.000 -3.412 -8.907) 9.538 20.632 ( 0.000 1.015 -3.863) 3.994 20.677 ( 0.000 0.272 -6.151) 6.157 21.022 ( -0.000 -0.274 -3.500) 3.511 21.176 ( -0.000 -1.196 -10.604) 10.671 21.614 ( -0.000 -3.930 18.711) 19.119 22.091 ( -0.000 -0.281 -4.575) 4.583 22.473 ( 0.000 0.188 3.695) 3.700 22.519 ( 0.000 1.497 1.307) 1.987 22.533 ( 0.000 0.892 19.096) 19.117 23.141 ( 0.000 1.154 -11.444) 11.502 23.903 ( 0.000 0.061 4.163) 4.163 24.021 ( -0.000 -0.240 -2.056) 2.070 25.225 ( -0.000 -0.079 5.561) 5.562 25.465 ( 0.000 0.139 -5.256) 5.258 44.679 ( 0.000 0.867 9.332) 9.372 45.088 ( 0.000 1.114 -9.763) 9.826 45.220 ( 0.000 0.185 0.981) 0.998 45.319 ( 0.000 0.434 -2.903) 2.936 45.410 ( -0.000 -0.603 4.337) 4.379 45.628 ( -0.000 -0.835 -6.911) 6.961 47.072 ( -0.000 -0.889 4.537) 4.624 47.249 ( -0.000 -0.933 -3.798) 3.911 47.798 ( 0.000 1.532 10.466) 10.577 48.155 ( 0.000 2.036 -6.593) 6.901 94.563 ( -0.000 -1.407 1.452) 2.022 94.680 ( -0.000 -0.559 -4.489) 4.524 95.148 ( 0.000 0.547 3.189) 3.236 95.254 ( 0.000 2.251 -2.043) 3.040 95.448 ( -0.000 -2.111 6.531) 6.863 95.694 ( -0.000 -3.158 -5.512) 6.353 96.001 ( -0.000 -2.081 2.826) 3.510 96.161 ( 0.000 5.965 -5.293) 7.974 96.449 ( 0.000 0.048 4.080) 4.081 96.583 ( 0.000 0.499 -2.572) 2.620 96.891 ( 0.000 0.203 7.032) 7.035 97.183 ( -0.000 -0.169 -6.223) 6.225 97.480 ( -0.000 -1.180 12.830) 12.884 98.024 ( -0.000 -4.389 -12.667) 13.406 99.775 ( -0.000 -24.696 19.221) 31.295 100.196 ( -0.000 -1.049 -7.859) 7.929 101.824 ( -0.000 -5.164 15.207) 16.060 102.388 ( -0.000 -2.360 -11.335) 11.578 102.642 ( -0.000 -0.165 0.005) 0.165 102.644 ( -0.000 -0.149 -0.076) 0.168 ======================= Grid point 190 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 25.770 0.000 6.240) 26.515 1.894 ( 9.732 0.000 -3.910) 10.488 2.375 ( 0.532 0.000 4.715) 4.745 2.527 ( 1.273 0.000 -9.981) 10.062 2.555 ( 10.620 0.000 -7.827) 13.193 2.670 ( -0.754 -0.000 -5.692) 5.742 2.947 ( -4.391 -0.000 -6.637) 7.958 3.014 ( -12.546 -0.000 3.754) 13.095 3.066 ( 6.673 0.000 -15.822) 17.172 3.386 ( 3.520 0.000 0.817) 3.613 3.481 ( -7.041 -0.000 -9.027) 11.448 3.528 ( 1.729 0.000 -3.741) 4.121 4.002 ( 5.594 0.000 11.191) 12.511 4.061 ( 1.522 0.000 -3.645) 3.950 4.077 ( 13.418 0.000 0.383) 13.424 4.171 ( -2.120 -0.000 6.226) 6.577 4.371 ( 3.525 0.000 5.413) 6.459 4.694 ( -10.573 -0.000 -4.445) 11.470 4.771 ( 6.213 0.000 1.749) 6.455 4.876 ( -5.998 -0.000 6.789) 9.059 4.976 ( -0.075 -0.000 11.783) 11.783 5.052 ( 0.551 0.000 -5.297) 5.325 5.052 ( -3.285 -0.000 10.486) 10.988 5.540 ( -1.841 -0.000 -10.548) 10.707 5.568 ( -7.340 -0.000 -3.723) 8.230 5.781 ( -3.062 -0.000 4.524) 5.463 5.984 ( 15.778 0.000 -9.361) 18.346 6.136 ( -2.320 -0.000 1.936) 3.022 6.340 ( -7.011 -0.000 1.522) 7.174 6.485 ( -3.101 -0.000 0.654) 3.170 6.498 ( 4.064 0.000 1.158) 4.225 6.631 ( -0.080 -0.000 -10.704) 10.704 6.740 ( -1.682 -0.000 1.750) 2.427 6.897 ( -4.088 -0.000 -4.233) 5.884 6.911 ( -2.326 -0.000 -2.404) 3.345 6.982 ( 4.477 0.000 -2.733) 5.245 7.259 ( 0.566 0.000 1.826) 1.912 7.338 ( 0.210 0.000 -1.155) 1.174 7.626 ( 1.871 0.000 1.451) 2.367 7.668 ( -1.686 -0.000 -0.636) 1.802 7.877 ( -0.622 -0.000 3.442) 3.498 7.993 ( -5.182 -0.000 -2.105) 5.594 8.289 ( 0.170 0.000 6.442) 6.445 8.390 ( -3.825 -0.000 2.138) 4.382 8.448 ( 0.718 0.000 0.106) 0.726 8.484 ( -2.611 -0.000 -2.588) 3.676 8.712 ( 3.306 0.000 1.655) 3.697 8.761 ( 2.797 0.000 -2.020) 3.450 13.958 ( -5.146 -0.000 -0.243) 5.152 13.974 ( -3.576 -0.000 -0.928) 3.695 14.630 ( 1.879 0.000 2.953) 3.500 14.841 ( 0.285 0.000 -7.467) 7.473 16.934 ( 8.510 0.000 15.945) 18.074 17.142 ( -4.328 -0.000 9.065) 10.045 17.206 ( 9.603 0.000 3.605) 10.257 17.423 ( 0.387 0.000 -4.983) 4.998 17.785 ( 15.154 0.000 -1.098) 15.194 17.996 ( 0.963 0.000 -4.676) 4.774 18.345 ( -1.319 -0.000 -6.976) 7.100 18.469 ( -9.526 -0.000 -15.183) 17.924 19.034 ( -0.515 -0.000 4.682) 4.710 19.087 ( -6.352 -0.000 1.713) 6.579 19.771 ( -4.996 -0.000 2.030) 5.393 19.891 ( -0.358 -0.000 -5.768) 5.779 20.749 ( 4.517 0.000 1.346) 4.713 20.836 ( -3.536 -0.000 3.305) 4.840 20.981 ( 3.147 0.000 -7.795) 8.406 21.061 ( 4.198 0.000 -7.194) 8.330 21.634 ( -2.264 -0.000 2.835) 3.628 21.677 ( -8.283 -0.000 0.439) 8.295 21.972 ( -4.854 -0.000 20.436) 21.004 22.013 ( -0.128 -0.000 14.587) 14.587 22.608 ( 12.741 0.000 -6.940) 14.509 22.767 ( -13.356 -0.000 -11.748) 17.788 24.052 ( 2.336 0.000 4.169) 4.779 24.103 ( -0.514 -0.000 1.388) 1.481 24.641 ( -0.588 -0.000 0.267) 0.646 24.749 ( -8.357 -0.000 -4.550) 9.516 44.847 ( 5.101 0.000 5.618) 7.588 44.987 ( -3.283 -0.000 0.856) 3.393 45.229 ( 2.363 0.000 -2.957) 3.785 45.271 ( -3.396 -0.000 -3.148) 4.630 45.683 ( 1.990 0.000 -0.823) 2.154 45.718 ( 0.612 0.000 -2.524) 2.597 47.421 ( 7.111 0.000 5.787) 9.168 47.470 ( -5.260 -0.000 5.112) 7.335 47.731 ( 8.306 0.000 -3.649) 9.073 47.780 ( -8.254 -0.000 -4.354) 9.332 94.891 ( -3.645 -0.000 3.843) 5.297 94.898 ( 7.137 0.000 2.484) 7.556 95.103 ( 3.004 0.000 -0.728) 3.091 95.228 ( -9.483 -0.000 -6.508) 11.501 95.606 ( 2.013 0.000 1.427) 2.468 95.715 ( 6.852 0.000 -3.527) 7.707 95.816 ( -1.654 -0.000 2.367) 2.888 95.925 ( -1.225 -0.000 -3.645) 3.845 96.581 ( -1.022 -0.000 -1.670) 1.957 96.597 ( 2.081 0.000 -3.995) 4.505 96.933 ( 2.962 0.000 8.723) 9.213 97.001 ( -2.004 -0.000 6.547) 6.847 97.305 ( -3.128 -0.000 3.911) 5.008 97.416 ( -7.581 -0.000 2.174) 7.887 99.560 ( 8.159 0.000 3.314) 8.807 99.756 ( -10.386 -0.000 -5.399) 11.706 100.654 ( -4.259 -0.000 2.584) 4.982 100.798 ( -4.075 -0.000 -4.068) 5.758 104.345 ( 2.015 0.000 0.288) 2.035 104.414 ( 1.161 0.000 -3.292) 3.491 ======================= Grid point 191 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -3.336 1.120 -3.882) 5.240 2.230 ( 14.923 -1.477 -3.976) 15.514 2.446 ( 7.398 0.771 7.286) 10.412 2.570 ( -8.130 1.202 4.814) 9.525 2.607 ( 9.760 2.489 -1.502) 10.184 2.761 ( -9.480 2.778 3.537) 10.493 2.800 ( 11.057 -0.557 -6.244) 12.711 2.917 ( 0.122 0.553 -11.393) 11.407 3.170 ( 2.660 -2.872 -16.049) 16.520 3.314 ( -7.521 1.693 -12.239) 14.464 3.461 ( 3.837 1.664 0.854) 4.269 3.573 ( 1.225 -2.709 -4.518) 5.409 3.954 ( -6.577 0.263 2.241) 6.953 4.048 ( -7.471 0.751 0.135) 7.510 4.180 ( 5.441 -2.663 4.980) 7.842 4.334 ( 12.181 -3.415 0.302) 12.654 4.425 ( 2.335 1.772 -0.267) 2.944 4.547 ( -5.530 -2.325 -4.970) 7.790 4.712 ( -10.452 5.482 11.519) 16.492 4.812 ( -3.801 0.933 2.972) 4.914 4.944 ( -4.525 0.699 14.510) 15.215 5.020 ( 2.705 -0.570 3.449) 4.420 5.083 ( 1.329 -2.424 -1.672) 3.231 5.415 ( -7.247 1.936 -2.587) 7.934 5.469 ( -7.991 -2.944 -5.580) 10.182 5.740 ( -1.548 -0.501 -2.489) 2.973 6.008 ( -5.671 5.395 0.232) 7.831 6.149 ( -8.020 -0.948 -9.972) 12.832 6.251 ( 6.049 -0.845 -1.333) 6.251 6.437 ( -2.592 -1.133 4.617) 5.414 6.587 ( 2.715 -0.401 1.817) 3.292 6.645 ( 0.375 -2.498 -3.112) 4.008 6.764 ( -0.832 0.535 2.041) 2.268 6.805 ( 0.171 2.576 -3.543) 4.383 6.902 ( -1.146 -4.470 -5.054) 6.844 7.049 ( 2.958 -0.014 -6.719) 7.341 7.212 ( -4.229 1.083 2.910) 5.247 7.289 ( -4.690 0.399 0.311) 4.717 7.671 ( 2.828 0.845 0.954) 3.102 7.687 ( 3.314 -0.772 0.222) 3.410 7.924 ( 5.879 0.152 0.955) 5.958 7.969 ( 2.838 0.114 -0.830) 2.959 8.300 ( 1.199 0.046 6.954) 7.056 8.405 ( 4.812 0.021 2.409) 5.382 8.447 ( -0.419 0.677 0.354) 0.871 8.512 ( 3.718 -1.094 -2.787) 4.774 8.756 ( 2.708 1.091 0.770) 3.019 8.779 ( -0.408 0.055 -1.429) 1.487 13.953 ( 4.424 -0.025 0.329) 4.436 13.991 ( 5.499 0.109 -1.542) 5.712 14.636 ( -1.161 0.051 2.577) 2.827 14.814 ( -3.212 -0.145 -5.986) 6.795 17.004 ( -10.714 0.312 12.184) 16.228 17.069 ( 6.184 -0.647 14.685) 15.947 17.313 ( 1.003 0.805 -0.700) 1.465 17.373 ( -4.810 -0.087 -0.241) 4.817 17.895 ( -11.029 0.443 -2.665) 11.355 17.979 ( 2.799 -0.388 -4.903) 5.659 18.297 ( -7.354 1.718 -10.311) 12.781 18.348 ( 2.390 -0.648 -10.857) 11.136 19.001 ( -3.272 -0.285 4.043) 5.209 19.031 ( 0.279 -0.544 2.207) 2.290 19.653 ( -9.755 -2.133 2.655) 10.332 19.813 ( -8.447 -1.813 -8.496) 12.116 20.795 ( -0.592 0.629 5.978) 6.040 20.839 ( 4.929 0.132 -0.717) 4.982 20.965 ( -4.947 -0.356 -5.721) 7.572 21.070 ( -2.647 0.689 -7.709) 8.180 21.634 ( 4.032 0.294 3.311) 5.226 21.709 ( 10.040 0.470 -1.373) 10.145 21.925 ( -0.039 -0.026 15.329) 15.329 22.048 ( 3.552 -0.032 19.011) 19.340 22.537 ( -11.974 -0.369 -5.571) 13.212 22.839 ( 13.200 0.414 -11.900) 17.777 24.075 ( -0.678 0.530 3.021) 3.141 24.085 ( -0.654 -0.483 2.613) 2.736 24.678 ( 0.858 0.305 -1.216) 1.520 24.726 ( 9.620 -0.189 -3.059) 10.096 44.914 ( -4.457 0.466 4.170) 6.121 44.941 ( 5.202 -0.341 3.532) 6.297 45.216 ( -2.488 0.036 -2.222) 3.336 45.291 ( 4.217 -0.026 -5.292) 6.767 45.685 ( -1.738 -0.037 -1.201) 2.113 45.702 ( -2.524 0.082 -2.109) 3.290 47.359 ( -7.168 -0.452 5.487) 9.038 47.511 ( 0.714 0.019 1.637) 1.786 47.667 ( -2.401 -0.230 1.543) 2.863 47.889 ( 9.470 0.741 -5.645) 11.050 94.784 ( -7.238 -0.526 4.251) 8.411 94.959 ( -2.742 0.590 -2.217) 3.575 95.130 ( 1.371 0.506 -0.709) 1.625 95.208 ( 7.141 -0.613 -1.826) 7.396 95.567 ( -4.966 0.175 3.862) 6.293 95.754 ( -3.544 -0.181 -4.789) 5.961 95.840 ( 2.732 -0.521 0.942) 2.936 95.970 ( 7.153 0.223 -6.140) 9.429 96.560 ( -1.458 -0.172 -0.415) 1.525 96.625 ( 1.111 0.208 -4.378) 4.521 96.973 ( -1.203 0.325 8.395) 8.487 96.997 ( 3.917 -0.086 7.956) 8.868 97.273 ( -0.301 -0.568 4.748) 4.791 97.331 ( -1.772 0.118 2.233) 2.853 99.562 ( -11.088 0.275 1.582) 11.204 99.717 ( 8.810 -0.314 -5.348) 10.311 100.670 ( 5.543 0.113 2.491) 6.078 100.801 ( 5.000 0.087 -3.529) 6.121 104.260 ( -11.579 -0.683 0.718) 11.621 104.330 ( -10.343 0.015 -2.595) 10.663 ======================= Grid point 192 (66/100) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -6.769 5.490 2.995) 9.216 2.336 ( -4.835 7.188 5.259) 10.134 2.388 ( -3.379 -1.213 -7.926) 8.701 2.562 ( -4.477 1.143 3.799) 5.982 2.582 ( 6.014 1.983 3.943) 7.460 2.788 ( -0.001 2.476 -4.121) 4.808 2.906 ( 9.970 5.024 -4.299) 11.964 2.990 ( 1.714 -1.239 -7.645) 7.932 3.181 ( -1.874 0.492 -10.734) 10.908 3.220 ( -1.699 -1.785 -15.556) 15.750 3.473 ( -1.612 3.424 -0.906) 3.891 3.629 ( 3.260 -3.380 -3.602) 5.918 3.872 ( -1.168 -0.973 5.018) 5.243 3.910 ( -6.942 -0.122 -0.230) 6.947 4.195 ( -10.165 7.188 7.970) 14.783 4.374 ( 1.648 2.644 5.173) 6.039 4.471 ( -3.174 2.145 5.072) 6.356 4.561 ( 2.531 -5.532 -5.026) 7.891 4.606 ( 4.192 -5.977 1.866) 7.535 4.727 ( -1.877 -1.159 2.077) 3.030 4.852 ( -5.609 -1.907 12.376) 13.721 5.054 ( 1.153 2.230 -0.076) 2.512 5.127 ( -0.269 -3.638 0.704) 3.716 5.308 ( -3.917 -1.348 -4.419) 6.057 5.354 ( -6.712 -1.818 -5.148) 8.652 5.722 ( -2.778 -2.612 -9.713) 10.434 5.882 ( -3.814 3.497 0.657) 5.216 5.982 ( -7.868 2.003 -6.857) 10.627 6.320 ( -1.201 -0.298 0.245) 1.262 6.400 ( -3.788 -2.856 1.046) 4.858 6.538 ( -11.676 -5.520 1.575) 13.011 6.633 ( -11.891 -1.564 -0.811) 12.021 6.663 ( 2.303 0.108 -4.150) 4.747 6.856 ( 1.807 0.126 -1.080) 2.109 6.999 ( 8.099 0.801 -2.202) 8.431 7.044 ( -0.530 -1.574 -3.919) 4.256 7.217 ( 5.524 1.773 2.945) 6.506 7.246 ( 2.087 0.259 1.681) 2.693 7.714 ( 2.994 0.974 2.515) 4.029 7.766 ( 4.889 -0.710 0.163) 4.943 8.039 ( 7.894 2.092 1.098) 8.240 8.090 ( 9.312 -0.936 -1.318) 9.452 8.322 ( 1.279 0.284 5.116) 5.281 8.407 ( -2.741 0.954 1.061) 3.090 8.525 ( 6.106 -0.077 1.529) 6.295 8.557 ( -1.532 -1.713 -0.062) 2.299 8.740 ( -1.689 1.508 0.493) 2.317 8.852 ( 10.309 2.666 -4.456) 11.543 14.104 ( 12.420 -0.115 0.779) 12.445 14.157 ( 13.203 0.306 -2.086) 13.370 14.592 ( -3.399 0.326 2.226) 4.076 14.739 ( -5.537 -0.763 -4.661) 7.277 16.782 ( -13.883 -0.023 13.248) 19.190 17.139 ( 0.488 -0.016 12.447) 12.457 17.201 ( -8.272 3.375 -0.171) 8.936 17.282 ( -8.799 -1.246 -3.207) 9.447 17.671 ( -11.697 1.703 0.930) 11.857 17.845 ( -15.779 -0.289 -2.303) 15.948 18.172 ( -5.957 -1.517 -4.495) 7.616 18.482 ( 9.356 -0.893 -16.366) 18.872 18.983 ( 0.383 -1.057 6.041) 6.145 19.051 ( -0.460 -2.405 2.437) 3.454 19.476 ( -13.866 -5.585 2.522) 15.160 19.671 ( -9.352 -4.067 -11.080) 15.059 20.768 ( -3.461 1.178 2.042) 4.188 20.860 ( -3.414 0.135 -4.444) 5.606 20.892 ( -0.506 -0.036 1.242) 1.342 21.025 ( 0.016 1.115 -4.962) 5.086 21.796 ( 13.861 0.385 5.275) 14.836 21.910 ( 9.691 0.693 -2.667) 10.075 21.962 ( 3.523 -0.364 6.815) 7.681 22.079 ( 0.132 -0.003 9.536) 9.537 22.421 ( 0.308 -0.137 10.142) 10.147 23.044 ( 10.395 0.909 -14.188) 17.612 24.026 ( -3.387 0.486 4.543) 5.687 24.083 ( -0.862 -0.311 0.816) 1.227 24.769 ( 9.261 0.421 2.686) 9.652 24.950 ( 14.731 -0.040 -5.179) 15.615 44.833 ( -3.926 0.952 6.227) 7.423 45.021 ( 3.201 -0.090 -0.618) 3.261 45.197 ( 0.658 -0.219 0.350) 0.777 45.362 ( 3.629 0.435 -5.699) 6.770 45.622 ( -5.302 0.328 -1.533) 5.529 45.640 ( -4.089 -0.741 -2.413) 4.805 47.238 ( -7.051 -0.832 5.030) 8.701 47.430 ( -7.358 -1.007 -3.943) 8.408 47.716 ( 5.376 0.946 8.773) 10.333 48.037 ( 8.314 1.608 -6.339) 10.578 94.670 ( -6.412 -1.122 3.283) 7.291 94.851 ( -6.956 -0.214 -5.541) 8.896 95.207 ( 6.105 1.832 4.071) 7.562 95.342 ( 6.663 -1.542 -2.330) 7.225 95.463 ( -6.456 -0.410 4.628) 7.954 95.646 ( -7.416 0.614 -4.034) 8.464 95.890 ( 2.308 -0.345 0.858) 2.486 96.109 ( 8.378 1.401 -9.708) 12.900 96.533 ( -1.865 -0.323 1.007) 2.144 96.632 ( 0.085 0.522 -3.910) 3.945 96.946 ( -1.251 0.735 8.226) 8.353 97.064 ( 3.750 0.639 4.741) 6.079 97.304 ( 2.231 -1.428 6.411) 6.937 97.366 ( 4.822 -2.768 3.698) 6.677 99.380 ( -9.198 -0.281 10.449) 13.924 99.856 ( 6.401 -0.823 -10.711) 12.505 100.834 ( 13.014 0.053 2.397) 13.233 100.979 ( 15.675 0.766 -4.277) 16.266 103.970 ( -22.845 -2.879 1.437) 23.071 104.067 ( -20.307 -1.774 -3.055) 20.612 ======================= Grid point 193 (67/100) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.008 9.212 11.662) 15.683 2.108 ( -6.868 12.352 11.996) 18.537 2.366 ( -4.068 0.210 -12.671) 13.310 2.506 ( 0.461 -1.517 1.188) 1.981 2.640 ( -4.998 2.607 -5.116) 7.612 2.692 ( 0.799 2.948 -2.144) 3.732 2.900 ( -6.942 3.053 -7.857) 10.919 2.976 ( -0.116 2.801 -8.339) 8.798 3.110 ( -7.904 4.697 -4.529) 10.249 3.195 ( -3.615 -2.566 -16.116) 16.714 3.489 ( 6.295 1.670 10.294) 12.181 3.670 ( -3.959 2.829 4.046) 6.328 3.798 ( 1.974 5.401 -3.275) 6.618 3.897 ( 1.020 1.292 12.264) 12.374 3.992 ( 0.288 -0.790 1.556) 1.768 4.358 ( -6.707 3.419 -1.491) 7.675 4.394 ( -1.789 3.514 6.513) 7.614 4.584 ( 0.150 -5.849 0.996) 5.935 4.731 ( 1.615 2.546 2.623) 3.996 4.803 ( 4.303 -5.881 -4.193) 8.407 4.843 ( -1.460 -8.906 8.080) 12.114 5.061 ( 4.356 2.365 -0.344) 4.969 5.125 ( -3.984 -6.740 -0.321) 7.836 5.261 ( -3.389 -2.188 -2.162) 4.577 5.338 ( 3.645 0.057 -8.284) 9.051 5.678 ( -5.251 -4.743 -14.238) 15.899 5.810 ( -3.231 1.101 0.856) 3.519 5.858 ( -3.389 1.966 -3.386) 5.178 6.228 ( -9.605 -1.307 4.846) 10.837 6.302 ( -8.584 -2.407 -3.022) 9.413 6.403 ( -10.902 -5.429 1.234) 12.242 6.444 ( -10.749 -9.311 -6.471) 15.624 6.715 ( 3.347 1.037 -3.441) 4.911 6.814 ( -3.244 2.901 -3.118) 5.354 7.094 ( 4.366 -2.849 1.454) 5.412 7.128 ( 2.886 -0.957 -0.824) 3.150 7.323 ( 10.739 2.938 4.168) 11.888 7.362 ( 10.088 2.388 2.286) 10.616 7.763 ( 3.393 0.714 3.877) 5.201 7.871 ( 6.101 -0.708 -1.337) 6.286 8.144 ( 5.887 3.396 2.981) 7.422 8.241 ( 4.059 0.232 -1.792) 4.443 8.344 ( 1.309 0.007 2.165) 2.530 8.350 ( -0.154 0.099 1.604) 1.615 8.481 ( -6.453 -1.123 1.806) 6.794 8.542 ( -5.438 0.304 -1.738) 5.717 8.767 ( 6.690 1.637 4.539) 8.249 9.039 ( 12.956 4.011 -8.585) 16.052 14.340 ( 8.151 -0.358 -0.350) 8.167 14.390 ( 10.409 -0.818 -2.481) 10.732 14.560 ( 3.581 0.049 2.529) 4.384 14.683 ( 3.796 0.341 -2.317) 4.460 16.547 ( -12.790 -1.332 14.408) 19.312 16.981 ( -13.624 2.360 1.051) 13.867 17.083 ( -6.288 1.009 2.473) 6.831 17.098 ( -10.453 1.964 6.946) 12.704 17.477 ( -10.865 1.495 -3.076) 11.390 17.527 ( -17.527 -1.087 -2.412) 17.726 18.147 ( -0.280 -6.300 1.413) 6.462 18.637 ( 6.991 -0.544 -18.317) 19.614 18.975 ( -6.851 -3.222 7.307) 10.521 19.052 ( 0.162 -2.741 5.950) 6.553 19.285 ( -14.233 -7.805 2.076) 16.365 19.602 ( -3.202 -5.580 -11.838) 13.473 20.691 ( -2.587 0.834 -2.483) 3.681 20.770 ( -5.109 0.155 -5.461) 7.480 20.939 ( 4.891 0.824 3.549) 6.099 21.026 ( 0.439 0.673 -4.448) 4.520 21.851 ( -10.763 -1.003 3.892) 11.489 22.012 ( 4.397 -0.773 -1.468) 4.700 22.096 ( 16.137 0.552 6.742) 17.497 22.233 ( 13.850 1.424 2.339) 14.119 22.499 ( 6.273 0.897 17.387) 18.506 23.173 ( 5.129 1.258 -14.217) 15.166 23.961 ( -3.175 0.479 5.262) 6.164 24.060 ( -1.892 -0.282 -0.597) 2.004 24.960 ( 11.753 0.135 5.118) 12.820 25.206 ( 13.748 0.223 -6.001) 15.002 44.765 ( -2.587 1.257 7.838) 8.349 45.057 ( 1.841 0.626 -4.587) 4.982 45.236 ( 2.601 -0.357 2.025) 3.316 45.391 ( 0.076 1.139 -4.190) 4.343 45.510 ( -6.789 0.138 -0.686) 6.825 45.591 ( -2.056 -1.505 -4.824) 5.456 47.134 ( -5.669 -1.151 4.713) 7.461 47.318 ( -6.246 -1.380 -4.012) 7.551 47.793 ( 4.398 1.708 10.155) 11.197 48.145 ( 6.046 2.416 -6.681) 9.329 94.584 ( -4.651 -1.575 2.530) 5.524 94.746 ( -5.209 -0.614 -5.654) 7.712 95.280 ( 2.833 1.771 6.029) 6.893 95.349 ( -4.579 -0.208 3.150) 5.562 95.466 ( 2.470 -1.903 -2.523) 4.011 95.513 ( -4.708 0.460 -3.421) 5.838 95.928 ( 1.870 -0.200 1.848) 2.636 96.219 ( 6.203 3.042 -11.257) 13.208 96.500 ( -2.137 -0.253 2.287) 3.140 96.622 ( -0.482 0.703 -3.327) 3.434 96.919 ( -0.912 0.856 7.514) 7.618 97.117 ( 3.012 0.591 -0.095) 3.071 97.364 ( 2.772 -1.678 8.972) 9.539 97.534 ( 8.474 -6.858 3.941) 11.592 99.262 ( -5.238 -2.458 19.982) 20.803 99.963 ( 4.855 -1.837 -12.293) 13.344 101.113 ( 18.434 -0.051 3.311) 18.730 101.328 ( 25.218 1.470 -6.348) 26.046 103.531 ( -30.760 -4.962 1.999) 31.222 103.660 ( -28.627 -3.420 -3.951) 29.100 ======================= Grid point 194 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.400 9.615 20.091) 22.318 1.891 ( -2.284 18.560 12.801) 22.662 2.278 ( -5.654 -2.695 -6.892) 9.313 2.496 ( -4.639 2.650 -7.661) 9.340 2.562 ( 2.627 -0.258 -6.213) 6.750 2.644 ( -4.789 9.346 -11.787) 15.787 2.760 ( -6.649 -0.991 15.795) 17.166 2.886 ( -6.661 1.624 -11.783) 13.632 2.934 ( 0.474 9.853 -0.304) 9.869 3.136 ( -5.971 -2.036 -13.271) 14.694 3.416 ( -3.460 2.538 9.381) 10.316 3.756 ( 10.265 1.252 0.793) 10.372 3.846 ( 4.840 0.514 -1.285) 5.034 3.956 ( 5.548 1.969 6.899) 9.069 4.041 ( 1.255 -0.621 4.466) 4.680 4.202 ( -5.080 6.341 -6.470) 10.387 4.281 ( -6.775 1.101 3.941) 7.915 4.613 ( 0.496 1.252 -2.042) 2.447 4.720 ( -2.204 1.053 3.506) 4.273 4.835 ( -1.952 -4.057 -4.067) 6.067 4.874 ( -2.308 -2.475 3.909) 5.170 5.085 ( -1.002 -1.049 -2.583) 2.963 5.233 ( 6.162 -7.389 2.162) 9.862 5.305 ( 5.847 -2.819 -1.260) 6.612 5.386 ( 1.426 1.044 -4.182) 4.540 5.630 ( -6.520 -4.753 -6.359) 10.273 5.729 ( -2.255 -0.143 -0.040) 2.260 5.884 ( 4.497 -3.388 -6.133) 8.325 6.063 ( -10.343 -5.065 -1.669) 11.637 6.218 ( -4.253 -3.542 2.569) 6.102 6.271 ( -8.803 -8.414 -6.236) 13.681 6.389 ( -5.935 -6.842 -6.643) 11.233 6.708 ( -3.447 1.962 -0.184) 3.970 6.766 ( 1.487 1.849 -2.116) 3.179 7.138 ( 0.005 0.069 1.366) 1.368 7.213 ( 3.481 -4.895 -0.398) 6.020 7.502 ( 12.024 4.484 3.484) 13.297 7.529 ( 11.104 3.216 2.317) 11.790 7.807 ( 1.391 -0.048 4.780) 4.979 7.950 ( 0.443 -0.255 -2.402) 2.456 8.158 ( -1.175 3.032 2.891) 4.351 8.199 ( -1.498 2.373 0.354) 2.828 8.344 ( -5.355 0.274 1.206) 5.496 8.379 ( 1.932 0.173 0.536) 2.013 8.413 ( -5.460 0.612 1.077) 5.598 8.468 ( 3.881 -1.544 -0.021) 4.177 8.867 ( 4.947 0.907 5.016) 7.103 9.195 ( 8.553 5.017 -11.317) 15.046 14.313 ( -4.359 0.255 0.701) 4.423 14.423 ( -5.467 -2.524 -4.790) 7.694 14.784 ( 17.149 0.363 5.287) 17.949 14.956 ( 20.498 0.468 -2.492) 20.654 16.389 ( -7.728 -4.553 15.962) 18.309 16.684 ( -16.355 0.505 5.397) 17.229 16.920 ( -6.424 3.806 8.302) 11.166 16.963 ( -4.734 2.128 1.148) 5.316 17.174 ( -17.305 -1.475 -4.930) 18.054 17.384 ( -3.813 1.359 -8.478) 9.395 18.270 ( 4.849 -11.191 4.713) 13.075 18.704 ( -1.354 0.382 -1.128) 1.803 18.870 ( -5.167 -5.003 -2.619) 7.654 19.039 ( -6.569 -2.242 -4.739) 8.405 19.173 ( -3.933 -6.671 10.263) 12.857 19.627 ( -0.903 -6.314 -9.492) 11.436 20.667 ( 0.244 1.393 -4.383) 4.605 20.701 ( -2.465 0.041 -5.562) 6.084 21.009 ( 1.276 0.054 -3.387) 3.620 21.058 ( 5.511 -0.518 -3.241) 6.414 21.665 ( -10.602 -1.375 11.952) 16.036 22.065 ( 1.707 -0.534 -4.157) 4.525 22.362 ( 12.671 0.642 5.249) 13.730 22.442 ( 10.868 1.666 4.472) 11.870 22.572 ( 2.559 1.499 15.774) 16.050 23.198 ( -0.434 1.571 -12.379) 12.485 23.917 ( -1.320 0.323 4.606) 4.802 24.029 ( -1.648 -0.295 -1.509) 2.254 25.141 ( 7.882 -0.392 5.877) 9.840 25.400 ( 8.170 0.379 -5.987) 10.136 44.721 ( -1.153 1.377 9.030) 9.207 45.090 ( 2.894 1.224 -6.906) 7.587 45.259 ( -0.900 0.320 0.272) 0.993 45.355 ( -2.071 0.968 -2.722) 3.554 45.412 ( -3.540 -0.633 2.142) 4.185 45.593 ( 0.166 -1.462 -6.843) 7.000 47.067 ( -3.176 -1.366 4.577) 5.736 47.245 ( -3.470 -1.502 -3.822) 5.376 47.835 ( 2.298 2.212 10.760) 11.222 48.202 ( 3.137 2.958 -6.823) 8.071 94.537 ( -2.445 -1.836 2.035) 3.673 94.683 ( -2.710 -0.828 -5.439) 6.133 95.218 ( -4.552 0.979 4.505) 6.479 95.349 ( -0.230 1.541 0.962) 1.831 95.393 ( -1.826 0.232 2.069) 2.769 95.575 ( 2.732 -3.394 -4.080) 5.969 95.959 ( 1.369 -0.336 3.049) 3.359 96.271 ( 3.362 4.158 -11.231) 12.439 96.467 ( -1.683 -0.027 3.615) 3.988 96.606 ( -0.471 0.779 -2.947) 3.085 96.902 ( -0.334 0.532 6.997) 7.025 97.159 ( 1.950 -0.018 -4.175) 4.608 97.421 ( 1.680 -1.849 12.253) 12.505 97.749 ( 6.706 -9.524 -0.473) 11.658 99.257 ( -0.497 -8.307 28.993) 30.164 100.065 ( 3.955 -3.311 -12.024) 13.084 101.467 ( 21.479 0.044 7.097) 22.621 101.828 ( 32.324 0.184 -8.496) 33.422 103.007 ( -32.538 -4.339 1.711) 32.870 103.134 ( -34.339 -3.199 -4.277) 34.752 ======================= Grid point 195 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 7.743 25.134) 26.300 1.689 ( 0.000 23.597 15.178) 28.057 2.252 ( -0.000 -1.576 -13.233) 13.326 2.393 ( 0.000 13.438 -4.672) 14.227 2.489 ( -0.000 -1.523 -6.178) 6.363 2.616 ( -0.000 -1.604 -4.658) 4.926 2.624 ( 0.000 13.023 21.880) 25.463 2.832 ( -0.000 -0.160 -16.237) 16.238 2.943 ( -0.000 -2.720 6.044) 6.628 3.063 ( -0.000 -0.769 -14.444) 14.464 3.406 ( -0.000 -2.683 -1.221) 2.948 3.843 ( 0.000 0.095 4.921) 4.922 3.920 ( 0.000 8.564 2.484) 8.917 3.965 ( -0.000 -3.641 2.610) 4.479 4.028 ( 0.000 12.158 -4.924) 13.117 4.089 ( -0.000 -0.811 -1.089) 1.358 4.243 ( -0.000 -5.815 3.600) 6.839 4.590 ( 0.000 3.093 -11.825) 12.223 4.680 ( 0.000 1.039 11.211) 11.259 4.841 ( 0.000 0.486 -5.385) 5.407 4.843 ( -0.000 -0.632 3.105) 3.168 5.093 ( -0.000 -2.213 -3.170) 3.866 5.359 ( 0.000 2.327 -0.924) 2.504 5.368 ( -0.000 -7.281 5.376) 9.051 5.419 ( -0.000 -2.465 -3.512) 4.291 5.577 ( -0.000 -1.825 -2.225) 2.878 5.728 ( -0.000 -0.956 3.840) 3.957 5.986 ( -0.000 -3.828 -8.951) 9.735 6.020 ( -0.000 -8.556 -3.500) 9.244 6.214 ( -0.000 -4.542 4.133) 6.141 6.298 ( -0.000 -12.714 -14.752) 19.475 6.352 ( -0.000 -1.822 -2.148) 2.817 6.658 ( 0.000 1.026 1.509) 1.825 6.765 ( 0.000 2.019 -2.070) 2.892 7.133 ( 0.000 0.537 2.230) 2.294 7.295 ( -0.000 -5.469 -2.846) 6.165 7.591 ( 0.000 5.921 2.492) 6.424 7.627 ( 0.000 3.459 1.493) 3.767 7.810 ( -0.000 -0.677 4.656) 4.705 7.917 ( -0.000 -1.124 -1.038) 1.530 8.104 ( 0.000 2.237 1.946) 2.965 8.197 ( 0.000 3.587 -2.362) 4.295 8.248 ( 0.000 2.266 3.914) 4.523 8.361 ( -0.000 -0.959 0.486) 1.075 8.404 ( 0.000 0.198 3.359) 3.364 8.527 ( -0.000 -1.726 -0.256) 1.745 8.907 ( 0.000 0.394 4.576) 4.593 9.224 ( 0.000 5.959 -11.934) 13.339 14.268 ( 0.000 0.093 1.452) 1.455 14.380 ( -0.000 -1.614 -3.914) 4.234 14.960 ( 0.000 0.220 5.608) 5.612 15.181 ( -0.000 -0.344 -4.479) 4.492 16.346 ( -0.000 -4.879 14.944) 15.720 16.559 ( -0.000 -4.579 8.055) 9.266 16.817 ( 0.000 3.673 10.274) 10.911 16.899 ( 0.000 2.205 0.159) 2.211 17.002 ( 0.000 0.641 -7.239) 7.267 17.339 ( 0.000 1.166 -10.206) 10.272 18.467 ( -0.000 -15.869 5.261) 16.718 18.637 ( 0.000 0.590 12.852) 12.866 18.872 ( 0.000 0.814 1.194) 1.445 18.987 ( -0.000 -7.094 -21.153) 22.311 19.199 ( -0.000 -4.552 13.811) 14.542 19.671 ( -0.000 -5.711 -8.479) 10.223 20.657 ( 0.000 1.525 -4.371) 4.629 20.681 ( 0.000 0.241 -5.818) 5.823 21.016 ( -0.000 -0.346 -4.296) 4.310 21.148 ( -0.000 -1.925 -10.154) 10.334 21.561 ( -0.000 -1.619 20.464) 20.528 22.084 ( -0.000 -0.404 -4.955) 4.972 22.480 ( 0.000 0.606 4.235) 4.278 22.551 ( 0.000 1.963 0.753) 2.102 22.554 ( 0.000 1.323 19.673) 19.718 23.168 ( 0.000 1.742 -11.190) 11.325 23.905 ( 0.000 0.180 3.952) 3.956 24.016 ( -0.000 -0.309 -1.858) 1.883 25.219 ( -0.000 -0.605 5.781) 5.812 25.470 ( 0.000 0.372 -5.698) 5.710 44.699 ( 0.000 1.350 9.446) 9.542 45.115 ( 0.000 1.737 -9.930) 10.081 45.225 ( 0.000 0.348 1.270) 1.317 45.329 ( 0.000 0.649 -2.597) 2.677 45.396 ( -0.000 -0.928 3.788) 3.900 45.608 ( -0.000 -1.287 -7.162) 7.276 47.051 ( -0.000 -1.381 4.540) 4.746 47.227 ( -0.000 -1.463 -3.751) 4.026 47.834 ( 0.000 2.318 10.824) 11.070 48.203 ( 0.000 3.058 -6.795) 7.452 94.532 ( -0.000 -1.914 1.767) 2.605 94.667 ( -0.000 -0.875 -5.139) 5.213 95.164 ( 0.000 1.090 4.106) 4.249 95.302 ( 0.000 2.959 -2.814) 4.084 95.409 ( -0.000 -1.850 7.019) 7.259 95.632 ( -0.000 -3.670 -4.597) 5.882 95.977 ( -0.000 -0.745 3.464) 3.544 96.260 ( 0.000 4.944 -10.165) 11.304 96.450 ( 0.000 0.081 4.437) 4.438 96.595 ( 0.000 0.775 -2.764) 2.870 96.896 ( 0.000 0.303 6.835) 6.842 97.179 ( -0.000 -0.257 -5.965) 5.970 97.452 ( -0.000 -1.841 13.515) 13.640 97.899 ( -0.000 -9.324 -6.226) 11.212 99.378 ( -0.000 -17.025 32.254) 36.472 100.142 ( -0.000 -4.262 -11.235) 12.016 101.750 ( -0.000 -2.882 13.110) 13.423 102.334 ( -0.000 -3.264 -13.090) 13.491 102.638 ( -0.000 -0.241 0.004) 0.241 102.640 ( -0.000 -0.240 -0.086) 0.255 ======================= Grid point 200 (70/100) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -4.852 -0.000 1.448) 5.063 2.376 ( 2.111 0.000 -14.414) 14.567 2.387 ( -8.657 -0.000 18.514) 20.438 2.580 ( -9.951 -0.000 5.705) 11.471 2.592 ( 7.668 0.000 4.606) 8.945 2.821 ( 0.043 0.000 -5.535) 5.535 2.969 ( 4.015 0.000 -10.185) 10.948 2.972 ( 13.880 0.000 -3.787) 14.387 3.178 ( -1.596 -0.000 -13.198) 13.294 3.210 ( -4.756 -0.000 -17.432) 18.069 3.541 ( -3.367 -0.000 -1.415) 3.652 3.557 ( 6.092 0.000 0.363) 6.103 3.862 ( -1.685 -0.000 2.942) 3.391 3.910 ( -6.462 -0.000 -0.404) 6.475 4.237 ( 1.851 0.000 4.632) 4.989 4.457 ( -3.202 -0.000 -0.091) 3.203 4.495 ( 0.279 0.000 -7.403) 7.408 4.525 ( 10.175 0.000 2.325) 10.438 4.575 ( -9.320 -0.000 10.456) 14.007 4.599 ( -9.193 -0.000 10.044) 13.616 4.882 ( -3.193 -0.000 7.702) 8.338 5.065 ( -2.643 -0.000 -1.204) 2.904 5.091 ( 2.578 0.000 2.524) 3.608 5.296 ( -6.569 -0.000 -3.002) 7.222 5.340 ( -3.124 -0.000 -6.152) 6.900 5.697 ( -3.606 -0.000 -9.673) 10.323 5.921 ( -5.670 -0.000 0.091) 5.670 6.004 ( -6.774 -0.000 -8.886) 11.173 6.320 ( 1.238 0.000 -1.758) 2.150 6.361 ( -5.476 -0.000 5.766) 7.952 6.486 ( -13.020 -0.000 -0.101) 13.020 6.617 ( -15.057 -0.000 1.073) 15.096 6.668 ( 2.901 0.000 -5.482) 6.202 6.853 ( 4.438 0.000 0.640) 4.484 7.002 ( 9.899 0.000 -2.528) 10.217 7.036 ( -3.483 -0.000 -5.549) 6.552 7.234 ( 6.954 0.000 3.038) 7.588 7.248 ( 1.464 0.000 2.645) 3.023 7.724 ( 2.855 0.000 2.035) 3.506 7.756 ( 4.866 0.000 0.731) 4.921 8.069 ( 7.883 0.000 -0.182) 7.885 8.070 ( 9.640 0.000 -0.476) 9.652 8.325 ( 1.321 0.000 5.330) 5.491 8.417 ( -2.678 -0.000 1.521) 3.080 8.525 ( 6.344 0.000 0.728) 6.386 8.538 ( -1.761 -0.000 -0.024) 1.761 8.753 ( -1.421 -0.000 0.661) 1.567 8.877 ( 10.680 0.000 -4.367) 11.538 14.103 ( 12.327 0.000 0.826) 12.355 14.160 ( 13.120 0.000 -2.212) 13.305 14.595 ( -3.281 -0.000 2.084) 3.887 14.732 ( -5.600 -0.000 -4.127) 6.957 16.782 ( -14.255 -0.000 12.992) 19.288 17.138 ( 1.319 0.000 13.033) 13.099 17.247 ( -9.563 -0.000 -7.124) 11.925 17.256 ( -7.228 -0.000 3.636) 8.091 17.685 ( -11.601 -0.000 0.948) 11.640 17.843 ( -16.085 -0.000 -2.355) 16.256 18.160 ( -7.735 -0.000 -4.861) 9.135 18.475 ( 9.716 0.000 -16.212) 18.900 18.974 ( 0.564 0.000 5.952) 5.978 19.028 ( -1.511 -0.000 3.288) 3.619 19.422 ( -14.601 -0.000 2.647) 14.839 19.632 ( -9.364 -0.000 -11.975) 15.202 20.778 ( -4.266 -0.000 1.174) 4.425 20.861 ( -3.432 -0.000 -4.530) 5.683 20.893 ( 0.542 0.000 2.151) 2.218 21.035 ( -0.254 -0.000 -4.947) 4.954 21.800 ( 13.750 0.000 5.233) 14.712 21.917 ( 9.002 0.000 -3.095) 9.520 21.959 ( 3.516 0.000 6.541) 7.427 22.079 ( 0.461 0.000 9.577) 9.588 22.420 ( 0.895 0.000 10.817) 10.854 23.052 ( 10.418 0.000 -14.185) 17.600 24.031 ( -3.465 -0.000 4.414) 5.612 24.079 ( -0.755 -0.000 0.975) 1.233 24.773 ( 9.137 0.000 2.550) 9.486 24.949 ( 14.857 0.000 -5.081) 15.702 44.842 ( -3.919 -0.000 6.126) 7.272 45.020 ( 3.550 0.000 -0.174) 3.555 45.195 ( 0.524 0.000 0.235) 0.574 45.366 ( 3.884 0.000 -6.002) 7.149 45.629 ( -5.616 -0.000 -1.979) 5.954 45.630 ( -4.066 -0.000 -1.950) 4.509 47.230 ( -7.054 -0.000 4.970) 8.629 47.421 ( -7.451 -0.000 -3.965) 8.440 47.725 ( 5.634 0.000 9.001) 10.619 48.052 ( 8.414 0.000 -6.439) 10.596 94.660 ( -6.426 -0.000 3.404) 7.272 94.849 ( -7.188 -0.000 -5.898) 9.298 95.227 ( 6.338 0.000 3.631) 7.304 95.323 ( 6.292 0.000 -1.141) 6.395 95.460 ( -6.688 -0.000 4.639) 8.139 95.651 ( -7.131 -0.000 -4.298) 8.327 95.886 ( 2.470 0.000 0.865) 2.617 96.121 ( 8.847 0.000 -10.655) 13.849 96.530 ( -1.834 -0.000 1.370) 2.289 96.637 ( 0.108 0.000 -4.055) 4.057 96.953 ( -1.221 -0.000 8.285) 8.374 97.071 ( 4.072 0.000 4.676) 6.201 97.288 ( 2.268 0.000 7.819) 8.141 97.343 ( 3.153 0.000 2.920) 4.298 99.378 ( -9.583 -0.000 9.934) 13.803 99.849 ( 6.187 0.000 -10.945) 12.572 100.835 ( 12.861 0.000 2.678) 13.137 100.986 ( 16.057 0.000 -4.334) 16.632 103.944 ( -23.369 -0.000 1.699) 23.430 104.050 ( -20.970 -0.000 -3.245) 21.219 ======================= Grid point 202 (71/100) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -3.748 4.784 8.481) 10.434 2.197 ( -8.848 0.333 16.517) 18.740 2.390 ( -8.385 1.079 -3.537) 9.164 2.482 ( 3.503 -0.590 -0.224) 3.559 2.683 ( -3.977 1.654 -3.770) 5.724 2.700 ( -2.152 -0.515 -2.328) 3.212 2.957 ( -3.032 2.029 -14.799) 15.242 3.048 ( -8.189 3.253 -7.781) 11.755 3.148 ( -4.521 -1.145 -19.397) 19.950 3.186 ( 2.944 2.356 -7.003) 7.953 3.527 ( 7.687 1.858 11.433) 13.902 3.669 ( 3.753 -1.781 3.387) 5.360 3.849 ( -0.245 1.652 0.214) 1.684 3.907 ( 4.024 -1.702 2.418) 4.994 4.132 ( -6.237 14.778 4.867) 16.762 4.371 ( -2.476 -0.928 9.401) 9.766 4.437 ( -4.318 -5.800 1.073) 7.310 4.472 ( -0.755 -1.461 3.922) 4.253 4.667 ( 2.810 -6.526 1.602) 7.284 4.706 ( 7.018 -3.884 -5.523) 9.739 4.824 ( -0.055 5.207 4.759) 7.054 5.005 ( -4.995 -4.933 -1.035) 7.096 5.104 ( 0.118 0.659 3.241) 3.310 5.228 ( -1.164 -0.728 -5.483) 5.652 5.355 ( 4.201 0.831 -6.626) 7.889 5.611 ( -6.819 -2.253 -12.590) 14.494 5.828 ( -4.591 0.700 0.130) 4.646 5.904 ( -4.298 2.177 -8.240) 9.545 6.207 ( -13.262 0.316 1.076) 13.309 6.264 ( -10.940 -4.083 -1.500) 11.773 6.314 ( -6.492 -2.458 -1.682) 7.143 6.334 ( -12.224 -2.478 2.227) 12.670 6.731 ( 4.002 0.555 -3.441) 5.307 6.850 ( -4.264 1.018 -3.066) 5.350 7.046 ( 3.599 -1.643 1.665) 4.292 7.122 ( 2.976 -0.135 -2.226) 3.719 7.362 ( 11.470 1.192 4.609) 12.419 7.393 ( 10.727 0.923 3.403) 11.292 7.774 ( 2.977 0.436 3.473) 4.595 7.858 ( 6.235 -0.544 -0.694) 6.297 8.194 ( 6.225 2.079 1.031) 6.643 8.232 ( 6.047 -1.042 -0.858) 6.196 8.346 ( 1.350 0.115 2.685) 3.007 8.358 ( -2.293 0.486 2.492) 3.421 8.463 ( -5.988 -0.666 1.592) 6.232 8.545 ( -4.469 0.107 -2.591) 5.167 8.789 ( 5.842 0.673 5.186) 7.841 9.089 ( 12.921 1.478 -9.073) 15.858 14.337 ( 9.852 -0.051 -0.532) 9.866 14.377 ( 6.656 -0.423 -3.327) 7.453 14.561 ( 3.274 0.044 3.495) 4.789 14.688 ( 5.866 0.179 -1.421) 6.038 16.531 ( -13.918 -0.449 14.355) 20.000 17.009 ( -16.242 0.726 -2.558) 16.458 17.092 ( -6.197 0.221 6.595) 9.053 17.129 ( -6.891 1.106 6.689) 9.667 17.495 ( -19.163 0.440 -2.097) 19.283 17.515 ( -10.028 -0.166 -2.965) 10.459 18.067 ( -3.072 -2.343 1.314) 4.081 18.636 ( 8.018 0.190 -21.329) 22.787 18.936 ( -8.999 -1.012 8.089) 12.142 19.015 ( 2.642 -1.291 8.330) 8.834 19.179 ( -14.105 -3.416 2.611) 14.746 19.531 ( -3.303 -2.132 -13.303) 13.872 20.700 ( -2.627 0.199 -3.186) 4.135 20.772 ( -5.189 0.069 -5.363) 7.463 20.953 ( 4.850 0.530 3.632) 6.082 21.033 ( -0.393 0.179 -4.754) 4.774 21.840 ( -11.076 -0.293 3.695) 11.680 22.003 ( 4.661 -0.210 -1.929) 5.049 22.104 ( 16.223 0.250 7.030) 17.683 22.250 ( 13.980 0.497 2.798) 14.265 22.510 ( 6.719 0.340 17.579) 18.823 23.189 ( 5.177 0.503 -14.116) 15.044 23.968 ( -3.289 0.212 5.056) 6.035 24.056 ( -1.833 -0.113 -0.369) 1.873 24.962 ( 11.406 0.069 5.089) 12.490 25.208 ( 13.846 0.059 -6.004) 15.092 44.782 ( -2.616 0.500 7.773) 8.216 45.065 ( 2.222 0.236 -4.074) 4.647 45.231 ( 2.806 -0.144 2.184) 3.559 45.406 ( 0.270 0.470 -4.479) 4.511 45.513 ( -7.078 0.196 -1.416) 7.221 45.570 ( -2.214 -0.714 -4.565) 5.124 47.119 ( -5.711 -0.459 4.649) 7.378 47.300 ( -6.217 -0.560 -3.933) 7.378 47.815 ( 4.616 0.672 10.428) 11.423 48.177 ( 6.194 0.942 -6.843) 9.277 94.565 ( -4.632 -0.577 2.721) 5.402 94.739 ( -5.329 -0.234 -6.106) 8.107 95.311 ( 2.085 1.350 5.628) 6.152 95.348 ( -4.144 0.054 3.452) 5.394 95.426 ( 4.214 -1.744 -1.471) 4.792 95.525 ( -6.458 0.461 -3.770) 7.492 95.925 ( 1.997 -0.075 1.790) 2.683 96.255 ( 6.595 1.027 -13.467) 15.031 96.497 ( -1.998 -0.128 3.041) 3.641 96.631 ( -0.492 0.283 -3.512) 3.558 96.930 ( -1.170 0.315 7.436) 7.534 97.128 ( 2.639 0.473 -0.639) 2.756 97.342 ( 3.061 -0.684 10.861) 11.305 97.443 ( 6.530 -2.844 4.935) 8.665 99.238 ( -6.426 -0.494 18.067) 19.182 99.939 ( 4.098 -0.752 -13.462) 14.092 101.113 ( 18.675 0.028 4.091) 19.118 101.347 ( 24.916 0.551 -6.599) 25.781 103.474 ( -30.266 -1.558 2.467) 30.406 103.617 ( -28.686 -1.277 -4.208) 29.021 ======================= Grid point 203 (72/100) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -2.192 8.231 16.126) 18.237 2.081 ( -3.068 2.812 15.787) 16.326 2.220 ( -9.491 -2.278 2.517) 10.080 2.518 ( -4.144 0.393 -6.689) 7.878 2.579 ( 3.348 2.193 -9.325) 10.147 2.706 ( -5.083 -2.573 10.171) 11.658 2.831 ( -2.393 7.858 -16.217) 18.179 2.906 ( -5.196 2.025 -10.880) 12.226 3.071 ( -4.101 -0.075 -19.049) 19.485 3.146 ( -0.907 4.444 -4.908) 6.683 3.567 ( -2.703 13.498 17.382) 22.173 3.767 ( 9.987 -0.546 4.652) 11.031 3.828 ( -0.746 -1.288 4.406) 4.651 4.007 ( 6.115 -0.737 1.344) 6.304 4.023 ( 3.071 4.050 -0.731) 5.135 4.276 ( -6.432 3.123 6.898) 9.935 4.376 ( -1.770 6.850 0.368) 7.085 4.585 ( 3.944 -7.412 -3.182) 8.979 4.717 ( -2.535 -5.883 3.300) 7.206 4.780 ( -0.128 4.302 -2.018) 4.753 4.813 ( 0.097 -3.206 -1.977) 3.768 5.013 ( -0.489 -6.242 -0.185) 6.264 5.139 ( 3.264 -3.378 3.687) 5.971 5.271 ( 5.379 -0.081 -4.849) 7.243 5.428 ( 4.347 2.569 -6.063) 7.890 5.529 ( -5.793 -5.371 -8.841) 11.856 5.740 ( -4.184 0.960 -0.448) 4.316 5.834 ( -1.693 -2.102 -5.252) 5.905 5.990 ( -10.580 -2.685 -5.889) 12.403 6.107 ( -12.293 -8.506 -8.196) 17.048 6.164 ( -6.036 -2.372 6.114) 8.913 6.310 ( -1.078 -2.539 -1.910) 3.355 6.741 ( -4.311 1.619 -0.173) 4.608 6.791 ( 1.888 0.870 -2.536) 3.280 7.125 ( 1.961 -2.141 1.428) 3.236 7.148 ( 1.018 -1.254 -1.218) 2.023 7.567 ( 12.386 2.629 4.136) 13.320 7.577 ( 11.395 1.945 3.686) 12.133 7.810 ( 0.965 0.326 4.727) 4.836 7.944 ( 0.826 -0.351 -2.034) 2.223 8.202 ( -2.680 1.958 2.046) 3.899 8.232 ( -1.429 0.912 1.025) 1.982 8.353 ( -1.891 0.772 1.060) 2.301 8.385 ( 2.049 0.498 1.285) 2.469 8.421 ( -3.889 -0.022 -0.173) 3.893 8.441 ( 0.589 -1.194 -0.345) 1.376 8.883 ( 4.593 0.734 6.092) 7.664 9.265 ( 8.439 2.726 -12.352) 15.206 14.322 ( -4.469 0.745 -0.475) 4.555 14.381 ( -4.251 -2.073 -3.281) 5.756 14.789 ( 16.824 0.259 5.534) 17.713 14.963 ( 19.445 0.283 -2.166) 19.567 16.327 ( -10.011 -2.294 17.291) 20.111 16.691 ( -17.801 0.204 4.812) 18.441 16.964 ( -6.243 1.260 1.045) 6.454 17.003 ( -5.997 1.933 8.892) 10.897 17.163 ( -14.651 0.069 -6.453) 16.009 17.407 ( -3.764 1.060 -7.273) 8.258 18.100 ( 1.467 -7.078 5.223) 8.918 18.715 ( -1.675 0.893 -1.861) 2.659 18.807 ( -2.231 -2.203 -8.560) 9.117 18.996 ( -9.570 -3.052 -2.027) 10.248 19.078 ( 1.454 -2.998 12.111) 12.561 19.527 ( -1.027 -4.409 -9.728) 10.730 20.686 ( 0.607 0.751 -5.523) 5.607 20.701 ( -2.511 -0.017 -5.264) 5.832 21.013 ( 0.324 0.424 -4.441) 4.473 21.047 ( 4.121 -0.652 -3.348) 5.349 21.652 ( -9.625 -0.266 12.306) 15.626 22.059 ( 1.973 -0.232 -4.766) 5.164 22.373 ( 12.871 0.520 5.560) 14.030 22.464 ( 10.456 0.845 6.149) 12.159 22.595 ( 2.847 0.966 14.872) 15.173 23.222 ( -0.254 1.028 -12.129) 12.176 23.923 ( -1.449 0.272 4.360) 4.602 24.025 ( -1.638 -0.177 -1.293) 2.094 25.136 ( 7.509 -0.207 6.112) 9.684 25.405 ( 8.157 0.171 -6.226) 10.263 44.742 ( -1.177 0.912 9.085) 9.206 45.108 ( 3.341 0.776 -6.394) 7.256 45.264 ( -0.142 0.176 0.695) 0.731 45.371 ( -2.534 0.762 -2.594) 3.706 45.403 ( -4.386 -0.389 1.130) 4.546 45.570 ( 0.532 -0.992 -7.183) 7.271 47.045 ( -3.224 -0.902 4.552) 5.651 47.222 ( -3.436 -1.008 -3.747) 5.182 47.868 ( 2.449 1.428 11.107) 11.463 48.247 ( 3.248 1.896 -7.017) 7.961 94.510 ( -2.416 -1.101 2.282) 3.501 94.671 ( -2.771 -0.523 -5.963) 6.596 95.233 ( -4.442 0.645 5.088) 6.785 95.369 ( 1.952 1.123 3.924) 4.525 95.411 ( -3.826 1.048 -2.719) 4.810 95.518 ( 2.283 -2.820 -2.499) 4.406 95.956 ( 1.357 -0.055 2.961) 3.258 96.328 ( 3.380 2.247 -14.101) 14.673 96.466 ( -1.482 -0.054 4.231) 4.484 96.618 ( -0.471 0.521 -3.152) 3.229 96.910 ( -0.695 0.327 6.780) 6.823 97.160 ( 1.434 0.130 -4.197) 4.438 97.395 ( 1.912 -0.915 13.261) 13.429 97.597 ( 5.373 -6.743 4.232) 9.604 99.170 ( -2.712 -2.328 25.109) 25.362 100.012 ( 2.725 -2.249 -14.201) 14.634 101.468 ( 20.789 0.056 7.066) 21.958 101.832 ( 30.380 0.208 -8.978) 31.680 102.953 ( -29.194 -1.825 2.009) 29.320 103.088 ( -32.700 -1.875 -4.447) 33.054 ======================= Grid point 204 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 8.742 20.829) 22.590 1.998 ( 0.000 10.974 15.501) 18.992 2.174 ( -0.000 -6.687 0.334) 6.696 2.476 ( 0.000 0.041 -7.119) 7.119 2.600 ( 0.000 6.077 3.240) 6.887 2.611 ( 0.000 0.997 -8.011) 8.073 2.777 ( 0.000 6.961 2.133) 7.280 2.836 ( 0.000 0.059 -19.157) 19.157 3.042 ( -0.000 -1.317 -19.232) 19.277 3.063 ( 0.000 12.017 1.624) 12.127 3.418 ( 0.000 7.502 10.748) 13.107 3.838 ( -0.000 -1.192 6.208) 6.321 3.897 ( -0.000 -3.161 5.982) 6.766 4.061 ( -0.000 -1.533 -2.434) 2.877 4.091 ( 0.000 10.100 7.078) 12.334 4.142 ( -0.000 -5.547 0.092) 5.548 4.259 ( 0.000 13.036 -2.471) 13.269 4.664 ( 0.000 2.787 -18.567) 18.775 4.690 ( -0.000 -0.070 8.221) 8.221 4.781 ( -0.000 -5.553 4.884) 7.395 4.822 ( -0.000 -1.882 0.585) 1.971 5.055 ( -0.000 -3.233 -2.179) 3.898 5.232 ( -0.000 -7.468 5.218) 9.110 5.346 ( -0.000 -1.321 -4.920) 5.094 5.442 ( 0.000 3.763 -4.027) 5.512 5.512 ( -0.000 -5.357 -5.068) 7.375 5.709 ( -0.000 -0.918 4.239) 4.338 5.866 ( -0.000 -7.799 -6.545) 10.182 5.938 ( -0.000 -1.245 -6.964) 7.074 6.063 ( -0.000 -13.026 -14.557) 19.534 6.136 ( -0.000 -4.001 5.798) 7.044 6.320 ( -0.000 -1.589 -2.643) 3.084 6.681 ( 0.000 1.353 2.065) 2.469 6.799 ( 0.000 1.727 -2.864) 3.344 7.137 ( -0.000 -0.056 0.789) 0.791 7.199 ( -0.000 -4.721 -0.318) 4.732 7.677 ( 0.000 3.735 4.743) 6.037 7.698 ( 0.000 3.973 2.552) 4.723 7.800 ( -0.000 -0.406 4.426) 4.444 7.901 ( -0.000 -0.679 -0.818) 1.064 8.142 ( 0.000 1.825 2.320) 2.951 8.253 ( 0.000 2.605 -2.846) 3.858 8.288 ( 0.000 1.653 2.148) 2.710 8.347 ( -0.000 -0.333 -0.145) 0.363 8.411 ( 0.000 0.549 3.057) 3.106 8.494 ( -0.000 -1.998 0.117) 2.001 8.919 ( 0.000 0.761 5.979) 6.027 9.313 ( 0.000 3.862 -13.487) 14.029 14.272 ( 0.000 0.336 0.604) 0.691 14.351 ( -0.000 -1.584 -3.137) 3.514 14.964 ( 0.000 0.266 5.647) 5.653 15.175 ( -0.000 -0.322 -3.785) 3.799 16.257 ( -0.000 -4.363 18.615) 19.120 16.511 ( -0.000 -1.407 8.152) 8.273 16.875 ( 0.000 2.621 6.176) 6.709 16.927 ( 0.000 0.703 1.288) 1.467 17.029 ( 0.000 2.371 -6.652) 7.062 17.362 ( 0.000 1.325 -8.812) 8.911 18.210 ( -0.000 -11.987 6.281) 13.533 18.651 ( 0.000 0.909 13.409) 13.440 18.880 ( -0.000 -4.880 -26.055) 26.508 18.884 ( 0.000 0.373 1.459) 1.506 19.121 ( -0.000 -3.639 13.226) 13.718 19.565 ( -0.000 -5.808 -8.004) 9.889 20.674 ( 0.000 0.326 -4.810) 4.821 20.692 ( 0.000 1.004 -6.374) 6.452 21.011 ( -0.000 -0.167 -5.293) 5.295 21.113 ( -0.000 -1.845 -9.518) 9.695 21.552 ( 0.000 0.224 20.093) 20.095 22.078 ( -0.000 -0.246 -5.514) 5.519 22.492 ( 0.000 0.643 4.710) 4.754 22.576 ( 0.000 0.978 20.753) 20.776 22.583 ( 0.000 1.603 0.255) 1.623 23.198 ( 0.000 1.515 -10.855) 10.960 23.909 ( 0.000 0.259 3.687) 3.696 24.011 ( -0.000 -0.246 -1.660) 1.678 25.208 ( -0.000 -0.520 6.214) 6.235 25.476 ( 0.000 0.261 -6.122) 6.128 44.723 ( 0.000 1.210 9.577) 9.654 45.145 ( 0.000 1.559 -10.128) 10.247 45.232 ( 0.000 0.372 1.617) 1.659 45.341 ( 0.000 0.627 -2.000) 2.096 45.379 ( -0.000 -0.909 2.996) 3.131 45.586 ( -0.000 -1.106 -7.521) 7.602 47.026 ( -0.000 -1.235 4.540) 4.705 47.201 ( -0.000 -1.323 -3.690) 3.920 47.874 ( 0.000 2.010 11.220) 11.399 48.255 ( 0.000 2.631 -7.011) 7.489 94.501 ( -0.000 -1.524 2.060) 2.562 94.652 ( -0.000 -0.747 -5.735) 5.783 95.183 ( 0.000 1.021 4.872) 4.978 95.351 ( 0.000 2.344 -3.509) 4.220 95.391 ( -0.000 -0.151 5.916) 5.918 95.567 ( -0.000 -3.473 -3.365) 4.836 95.970 ( -0.000 -0.167 3.499) 3.503 96.334 ( 0.000 3.228 -13.569) 13.947 96.451 ( 0.000 0.077 4.849) 4.850 96.608 ( 0.000 0.695 -2.984) 3.064 96.901 ( 0.000 0.257 6.617) 6.622 97.174 ( -0.000 -0.223 -5.666) 5.670 97.422 ( -0.000 -1.368 14.228) 14.294 97.722 ( -0.000 -9.428 1.477) 9.543 99.184 ( -0.000 -5.831 29.660) 30.227 100.066 ( -0.000 -3.743 -13.852) 14.349 101.717 ( -0.000 -1.115 11.123) 11.179 102.283 ( -0.000 -2.323 -14.143) 14.332 102.634 ( -0.000 -0.201 -0.006) 0.201 102.636 ( -0.000 -0.220 -0.088) 0.237 ======================= Grid point 211 (74/100) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -1.977 -0.000 13.125) 13.273 2.074 ( -4.913 -0.000 14.932) 15.719 2.209 ( -9.653 -0.000 9.038) 13.224 2.521 ( -3.265 -0.000 -6.494) 7.268 2.605 ( 2.165 0.000 -11.725) 11.923 2.681 ( -3.845 -0.000 10.216) 10.916 2.879 ( -6.655 -0.000 -17.096) 18.346 2.952 ( -0.563 -0.000 -11.051) 11.065 3.062 ( -4.107 -0.000 -21.826) 22.209 3.186 ( -2.623 -0.000 -0.267) 2.636 3.733 ( 3.162 0.000 4.702) 5.666 3.736 ( 11.321 0.000 15.206) 18.958 3.830 ( -2.553 -0.000 2.858) 3.832 3.960 ( 2.512 0.000 -3.541) 4.341 4.173 ( -1.886 -0.000 1.940) 2.705 4.312 ( -3.567 -0.000 11.712) 12.244 4.368 ( 4.937 0.000 -1.237) 5.090 4.478 ( 0.956 0.000 6.611) 6.680 4.676 ( -0.075 -0.000 1.305) 1.307 4.760 ( 1.611 0.000 -9.965) 10.094 4.885 ( -4.086 -0.000 -3.776) 5.564 4.910 ( 4.183 0.000 2.741) 5.001 5.105 ( 0.643 0.000 4.840) 4.882 5.277 ( 5.712 0.000 -6.588) 8.719 5.454 ( 4.210 0.000 -6.170) 7.469 5.476 ( -4.915 -0.000 -8.589) 9.896 5.749 ( -4.443 -0.000 1.116) 4.581 5.819 ( -5.835 -0.000 -10.766) 12.245 5.968 ( -14.018 -0.000 -5.742) 15.148 6.019 ( -8.421 -0.000 -7.259) 11.118 6.141 ( -7.183 -0.000 8.341) 11.007 6.289 ( 0.100 0.000 -1.225) 1.230 6.758 ( -5.453 -0.000 0.307) 5.462 6.798 ( 2.933 0.000 -2.928) 4.144 7.099 ( 2.666 0.000 1.565) 3.091 7.142 ( 0.200 0.000 -2.118) 2.128 7.591 ( 12.862 0.000 3.919) 13.446 7.594 ( 11.050 0.000 4.549) 11.950 7.814 ( 0.812 0.000 4.665) 4.735 7.940 ( 1.220 0.000 -1.803) 2.177 8.226 ( -3.924 -0.000 1.694) 4.274 8.232 ( -1.101 -0.000 1.396) 1.778 8.363 ( -0.958 -0.000 0.761) 1.224 8.396 ( 2.673 0.000 1.435) 3.034 8.407 ( 2.091 0.000 1.044) 2.337 8.435 ( -5.987 -0.000 -1.881) 6.275 8.890 ( 4.451 0.000 6.488) 7.868 9.289 ( 8.339 0.000 -12.626) 15.132 14.335 ( -5.364 -0.000 -1.433) 5.552 14.357 ( -2.980 -0.000 -2.229) 3.721 14.792 ( 16.711 0.000 5.625) 17.633 14.965 ( 19.054 0.000 -2.035) 19.163 16.307 ( -10.745 -0.000 17.608) 20.627 16.692 ( -18.311 -0.000 4.654) 18.893 16.974 ( -5.720 -0.000 -1.154) 5.836 17.020 ( -7.622 -0.000 10.989) 13.374 17.166 ( -12.927 -0.000 -6.967) 14.685 17.417 ( -3.724 -0.000 -6.741) 7.702 18.035 ( 0.372 0.000 5.284) 5.298 18.727 ( -2.150 -0.000 -2.239) 3.104 18.788 ( -1.365 -0.000 -12.367) 12.442 18.958 ( -8.662 -0.000 3.642) 9.396 19.058 ( 2.192 0.000 9.945) 10.184 19.486 ( -1.360 -0.000 -10.004) 10.096 20.693 ( 1.060 0.000 -6.070) 6.162 20.701 ( -2.794 -0.000 -5.031) 5.755 21.019 ( -0.882 -0.000 -5.731) 5.799 21.039 ( 4.338 0.000 -2.581) 5.047 21.650 ( -9.182 -0.000 12.400) 15.429 22.057 ( 2.040 0.000 -5.018) 5.417 22.378 ( 12.929 0.000 5.636) 14.104 22.472 ( 10.311 0.000 7.049) 12.490 22.604 ( 2.971 0.000 14.419) 14.722 23.231 ( -0.192 -0.000 -12.032) 12.033 23.926 ( -1.495 -0.000 4.259) 4.514 24.023 ( -1.632 -0.000 -1.201) 2.026 25.134 ( 7.372 0.000 6.174) 9.616 25.406 ( 8.156 0.000 -6.300) 10.306 44.751 ( -1.185 -0.000 9.106) 9.182 45.115 ( 3.515 0.000 -6.169) 7.100 45.265 ( 0.200 0.000 0.903) 0.925 45.379 ( -2.487 -0.000 -2.562) 3.571 45.399 ( -5.057 -0.000 0.738) 5.110 45.561 ( 0.741 0.000 -7.371) 7.408 47.037 ( -3.244 -0.000 4.541) 5.581 47.212 ( -3.420 -0.000 -3.714) 5.049 47.882 ( 2.508 0.000 11.242) 11.518 48.265 ( 3.291 0.000 -7.091) 7.818 94.500 ( -2.412 -0.000 2.372) 3.383 94.666 ( -2.795 -0.000 -6.149) 6.754 95.239 ( -4.373 -0.000 5.310) 6.879 95.384 ( 2.021 0.000 3.955) 4.441 95.419 ( -3.602 -0.000 -3.821) 5.251 95.489 ( 1.895 0.000 -1.587) 2.472 95.956 ( 1.388 0.000 2.899) 3.214 96.349 ( 3.409 0.000 -15.256) 15.632 96.465 ( -1.382 -0.000 4.598) 4.801 96.623 ( -0.473 -0.000 -3.234) 3.268 96.913 ( -0.827 -0.000 6.718) 6.769 97.162 ( 1.107 0.000 -4.378) 4.516 97.388 ( 2.141 0.000 14.275) 14.434 97.533 ( 4.784 0.000 5.106) 6.997 99.152 ( -3.109 -0.000 23.463) 23.668 99.991 ( 2.315 0.000 -14.843) 15.023 101.468 ( 20.574 0.000 7.081) 21.759 101.834 ( 29.669 0.000 -9.152) 31.048 102.938 ( -28.152 -0.000 1.976) 28.222 103.071 ( -32.068 -0.000 -4.457) 32.377 ======================= Grid point 213 (75/100) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 5.587 16.339) 17.268 2.054 ( -0.000 -5.246 9.502) 10.854 2.107 ( 0.000 2.322 13.482) 13.680 2.479 ( 0.000 0.148 -7.509) 7.510 2.628 ( 0.000 0.003 14.183) 14.183 2.635 ( 0.000 1.093 -10.495) 10.552 2.831 ( -0.000 -0.334 -19.120) 19.123 2.923 ( 0.000 5.848 -10.334) 11.874 3.024 ( -0.000 -0.525 -22.353) 22.359 3.157 ( 0.000 0.759 0.679) 1.018 3.682 ( 0.000 14.688 9.280) 17.374 3.810 ( -0.000 -0.857 4.259) 4.344 3.860 ( -0.000 -1.820 11.791) 11.931 4.003 ( -0.000 -4.485 -3.019) 5.406 4.127 ( 0.000 5.182 -2.543) 5.772 4.245 ( 0.000 5.722 12.200) 13.475 4.455 ( 0.000 7.366 3.958) 8.362 4.508 ( -0.000 -13.938 -3.353) 14.336 4.675 ( -0.000 -1.244 2.835) 3.096 4.779 ( -0.000 -2.352 -6.970) 7.357 4.820 ( 0.000 5.218 -4.499) 6.890 4.977 ( -0.000 -4.390 0.269) 4.398 5.130 ( -0.000 -3.296 5.381) 6.310 5.349 ( 0.000 0.683 -7.108) 7.140 5.420 ( -0.000 -3.566 -4.138) 5.463 5.509 ( 0.000 3.014 -6.866) 7.498 5.699 ( -0.000 -0.222 4.227) 4.233 5.770 ( -0.000 -2.446 -10.536) 10.816 5.868 ( -0.000 -7.532 -10.789) 13.158 5.934 ( 0.000 0.301 -7.783) 7.789 6.080 ( -0.000 -1.908 8.212) 8.431 6.300 ( -0.000 -0.599 -2.948) 3.009 6.699 ( 0.000 0.584 2.585) 2.650 6.822 ( 0.000 0.722 -2.936) 3.024 7.129 ( -0.000 -0.965 1.088) 1.454 7.145 ( -0.000 -0.943 -1.685) 1.931 7.725 ( 0.000 1.486 5.554) 5.749 7.749 ( 0.000 1.496 3.336) 3.656 7.796 ( -0.000 -0.129 4.308) 4.310 7.893 ( -0.000 -0.222 -0.709) 0.743 8.165 ( 0.000 0.685 2.502) 2.595 8.285 ( 0.000 0.941 -3.088) 3.228 8.298 ( -0.000 -0.072 1.701) 1.702 8.353 ( 0.000 0.511 -0.897) 1.032 8.426 ( 0.000 1.252 2.207) 2.538 8.458 ( -0.000 -1.862 1.026) 2.126 8.929 ( 0.000 0.337 6.745) 6.754 9.359 ( 0.000 1.323 -14.007) 14.070 14.278 ( 0.000 0.327 -0.133) 0.353 14.328 ( -0.000 -0.798 -2.445) 2.572 14.968 ( 0.000 0.123 5.652) 5.653 15.171 ( -0.000 -0.131 -3.317) 3.320 16.204 ( -0.000 -1.497 19.973) 20.029 16.497 ( -0.000 -0.321 7.637) 7.644 16.910 ( 0.000 1.352 3.506) 3.757 16.927 ( -0.000 -0.512 -0.030) 0.513 17.068 ( 0.000 1.414 -4.375) 4.598 17.381 ( 0.000 0.601 -7.800) 7.824 18.062 ( -0.000 -4.292 6.425) 7.727 18.666 ( 0.000 0.597 13.966) 13.979 18.819 ( -0.000 -1.825 -28.926) 28.983 18.881 ( -0.000 -0.428 3.127) 3.156 19.082 ( -0.000 -0.844 11.253) 11.285 19.484 ( -0.000 -2.662 -7.746) 8.191 20.676 ( 0.000 0.039 -4.807) 4.807 20.706 ( 0.000 0.448 -7.108) 7.122 21.010 ( 0.000 0.011 -6.074) 6.074 21.088 ( -0.000 -0.809 -8.956) 8.992 21.559 ( 0.000 0.288 19.506) 19.508 22.075 ( -0.000 -0.081 -5.902) 5.902 22.501 ( 0.000 0.269 4.980) 4.987 22.587 ( 0.000 0.340 21.693) 21.696 22.604 ( 0.000 0.614 -0.031) 0.615 23.217 ( 0.000 0.592 -10.634) 10.651 23.913 ( 0.000 0.131 3.501) 3.503 24.008 ( -0.000 -0.092 -1.521) 1.523 25.201 ( -0.000 -0.171 6.424) 6.426 25.479 ( 0.000 0.076 -6.331) 6.332 44.739 ( 0.000 0.484 9.665) 9.677 45.166 ( 0.000 0.625 -10.261) 10.280 45.237 ( 0.000 0.166 1.876) 1.883 45.351 ( 0.000 0.492 -1.726) 1.794 45.365 ( -0.000 -0.618 2.648) 2.719 45.571 ( -0.000 -0.427 -7.840) 7.851 47.010 ( -0.000 -0.493 4.538) 4.564 47.184 ( -0.000 -0.532 -3.645) 3.683 47.900 ( 0.000 0.787 11.472) 11.499 48.289 ( 0.000 1.025 -7.145) 7.218 94.482 ( -0.000 -0.571 2.229) 2.301 94.642 ( -0.000 -0.286 -6.075) 6.082 95.197 ( 0.000 0.406 5.286) 5.301 95.381 ( 0.000 0.880 -3.914) 4.012 95.398 ( 0.000 0.624 4.344) 4.388 95.516 ( -0.000 -1.870 -1.924) 2.683 95.969 ( 0.000 0.003 3.403) 3.403 96.373 ( 0.000 1.154 -15.394) 15.437 96.452 ( 0.000 0.032 5.123) 5.123 96.617 ( 0.000 0.279 -3.131) 3.144 96.905 ( 0.000 0.098 6.479) 6.480 97.171 ( -0.000 -0.087 -5.467) 5.468 97.408 ( -0.000 -0.189 15.102) 15.103 97.596 ( -0.000 -4.068 4.639) 6.170 99.130 ( -0.000 -1.114 26.015) 26.039 100.019 ( -0.000 -1.416 -15.125) 15.192 101.705 ( -0.000 -0.282 10.247) 10.250 102.255 ( -0.000 -0.790 -14.524) 14.545 102.632 ( -0.000 -0.075 -0.018) 0.077 102.633 ( -0.000 -0.091 -0.084) 0.124 ======================= Grid point 255 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 0.000 -30.843) 30.843 1.564 ( 0.000 0.000 30.843) 30.843 1.796 ( 0.000 0.000 -25.413) 25.413 1.796 ( 0.000 0.000 25.413) 25.413 2.425 ( 0.000 0.000 -3.574) 3.574 2.425 ( 0.000 0.000 3.574) 3.574 2.951 ( 0.000 0.000 -1.661) 1.661 2.951 ( 0.000 0.000 1.661) 1.661 3.077 ( 0.000 0.000 -13.072) 13.072 3.077 ( 0.000 0.000 13.072) 13.072 3.508 ( 0.000 0.000 -20.327) 20.327 3.508 ( 0.000 0.000 20.327) 20.327 3.724 ( 0.000 0.000 -0.147) 0.147 3.724 ( 0.000 0.000 0.147) 0.147 4.106 ( 0.000 0.000 -0.046) 0.046 4.106 ( 0.000 0.000 0.046) 0.046 4.411 ( 0.000 0.000 -7.200) 7.200 4.411 ( 0.000 0.000 7.200) 7.200 4.831 ( 0.000 0.000 -5.155) 5.155 4.831 ( 0.000 0.000 5.155) 5.155 4.888 ( 0.000 0.000 -15.398) 15.398 4.888 ( 0.000 0.000 15.398) 15.398 5.447 ( 0.000 0.000 -3.183) 3.183 5.447 ( 0.000 0.000 3.183) 3.183 5.589 ( 0.000 0.000 -0.442) 0.442 5.589 ( 0.000 0.000 0.442) 0.442 5.873 ( 0.000 0.000 -9.201) 9.201 5.873 ( 0.000 0.000 9.201) 9.201 6.300 ( 0.000 0.000 -10.685) 10.685 6.300 ( 0.000 0.000 10.685) 10.685 6.358 ( 0.000 0.000 -1.254) 1.254 6.358 ( 0.000 0.000 1.254) 1.254 6.713 ( 0.000 0.000 -0.359) 0.359 6.713 ( 0.000 0.000 0.359) 0.359 7.214 ( 0.000 0.000 -7.772) 7.772 7.214 ( 0.000 0.000 7.772) 7.772 7.490 ( 0.000 0.000 -3.060) 3.060 7.490 ( 0.000 0.000 3.060) 3.060 7.911 ( 0.000 0.000 -2.986) 2.986 7.911 ( 0.000 0.000 2.986) 2.986 8.076 ( 0.000 0.000 -0.871) 0.871 8.076 ( 0.000 0.000 0.871) 0.871 8.313 ( 0.000 0.000 -4.216) 4.216 8.313 ( 0.000 0.000 4.216) 4.216 8.522 ( 0.000 0.000 -4.072) 4.072 8.522 ( 0.000 0.000 4.072) 4.072 8.959 ( 0.000 0.000 -2.197) 2.197 8.959 ( 0.000 0.000 2.197) 2.197 14.329 ( 0.000 0.000 -3.839) 3.839 14.329 ( 0.000 0.000 3.839) 3.839 15.073 ( 0.000 0.000 -6.212) 6.212 15.073 ( 0.000 0.000 6.212) 6.212 16.632 ( 0.000 0.000 -8.693) 8.693 16.632 ( 0.000 0.000 8.693) 8.693 16.856 ( 0.000 0.000 -1.331) 1.331 16.856 ( 0.000 0.000 1.331) 1.331 17.062 ( 0.000 0.000 -13.053) 13.053 17.062 ( 0.000 0.000 13.053) 13.053 18.815 ( 0.000 0.000 -6.018) 6.018 18.815 ( 0.000 0.000 6.018) 6.018 18.933 ( 0.000 0.000 -10.851) 10.851 18.933 ( 0.000 0.000 10.851) 10.851 19.567 ( 0.000 0.000 -13.149) 13.149 19.567 ( 0.000 0.000 13.149) 13.149 20.591 ( 0.000 0.000 -1.415) 1.415 20.591 ( 0.000 0.000 1.415) 1.415 21.030 ( 0.000 0.000 -4.361) 4.361 21.030 ( 0.000 0.000 4.361) 4.361 21.939 ( 0.000 0.000 -11.409) 11.409 21.939 ( 0.000 0.000 11.409) 11.409 22.514 ( 0.000 0.000 -0.746) 0.746 22.514 ( 0.000 0.000 0.746) 0.746 22.866 ( 0.000 0.000 -15.573) 15.573 22.866 ( 0.000 0.000 15.573) 15.573 23.973 ( 0.000 0.000 -3.014) 3.014 23.973 ( 0.000 0.000 3.014) 3.014 25.348 ( 0.000 0.000 -6.501) 6.501 25.348 ( 0.000 0.000 6.501) 6.501 44.872 ( 0.000 0.000 -10.884) 10.884 44.872 ( 0.000 0.000 10.884) 10.884 45.256 ( 0.000 0.000 -2.750) 2.750 45.256 ( 0.000 0.000 2.750) 2.750 45.513 ( 0.000 0.000 -5.575) 5.575 45.513 ( 0.000 0.000 5.575) 5.575 47.173 ( 0.000 0.000 -4.747) 4.747 47.173 ( 0.000 0.000 4.747) 4.747 47.980 ( 0.000 0.000 -9.288) 9.288 47.980 ( 0.000 0.000 9.288) 9.288 94.616 ( 0.000 0.000 -2.785) 2.785 94.616 ( 0.000 0.000 2.785) 2.785 95.193 ( 0.000 0.000 -2.284) 2.284 95.193 ( 0.000 0.000 2.284) 2.284 95.596 ( 0.000 0.000 -6.896) 6.896 95.596 ( 0.000 0.000 6.896) 6.896 96.062 ( 0.000 0.000 -0.422) 0.422 96.062 ( 0.000 0.000 0.422) 0.422 96.520 ( 0.000 0.000 -3.370) 3.370 96.520 ( 0.000 0.000 3.370) 3.370 97.041 ( 0.000 0.000 -7.949) 7.949 97.041 ( 0.000 0.000 7.949) 7.949 97.766 ( 0.000 0.000 -15.138) 15.138 97.766 ( 0.000 0.000 15.138) 15.138 100.110 ( 0.000 0.000 -1.751) 1.751 100.110 ( 0.000 0.000 1.751) 1.751 102.172 ( 0.000 0.000 -13.752) 13.752 102.172 ( 0.000 0.000 13.752) 13.752 102.644 ( 0.000 0.000 -0.043) 0.043 102.644 ( 0.000 0.000 0.043) 0.043 ======================= Grid point 257 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.108 -7.670 -12.419) 16.697 1.449 ( -8.108 -7.670 12.419) 16.697 1.991 ( 12.797 -2.175 -8.770) 15.665 1.991 ( 12.797 -2.175 8.770) 15.665 2.477 ( 4.809 -0.347 -3.007) 5.682 2.477 ( 4.809 -0.347 3.007) 5.682 2.882 ( -5.146 1.208 -0.952) 5.371 2.882 ( -5.146 1.208 0.952) 5.371 3.118 ( 4.809 0.828 -10.709) 11.768 3.118 ( 4.809 0.828 10.709) 11.768 3.599 ( 7.152 -0.473 -16.511) 17.999 3.599 ( 7.152 -0.473 16.511) 17.999 3.690 ( -3.116 -2.238 -3.092) 4.927 3.690 ( -3.116 -2.238 3.092) 4.927 4.103 ( -0.611 0.338 -4.383) 4.438 4.103 ( -0.611 0.338 4.383) 4.438 4.420 ( 1.926 -0.477 -11.636) 11.804 4.420 ( 1.926 -0.477 11.636) 11.804 4.848 ( 1.091 -0.165 -9.022) 9.089 4.848 ( 1.091 -0.165 9.022) 9.089 4.956 ( 7.104 0.299 -8.893) 11.387 4.956 ( 7.104 0.299 8.893) 11.387 5.375 ( -5.830 0.721 -2.618) 6.432 5.375 ( -5.830 0.721 2.618) 6.432 5.664 ( 6.674 2.782 -4.480) 8.506 5.664 ( 6.674 2.782 4.480) 8.506 5.799 ( -6.152 0.370 -7.429) 9.653 5.799 ( -6.152 0.370 7.429) 9.653 6.262 ( 1.239 0.891 -6.174) 6.360 6.262 ( 1.239 0.891 6.174) 6.360 6.492 ( 10.954 3.460 -5.088) 12.564 6.492 ( 10.954 3.460 5.088) 12.564 6.696 ( -1.596 0.072 -0.946) 1.857 6.696 ( -1.596 0.072 0.946) 1.857 7.203 ( -2.047 -0.631 -5.363) 5.775 7.203 ( -2.047 -0.631 5.363) 5.775 7.396 ( -9.142 -1.891 -1.171) 9.408 7.396 ( -9.142 -1.891 1.171) 9.408 7.906 ( -2.009 0.448 -3.475) 4.039 7.906 ( -2.009 0.448 3.475) 4.039 8.097 ( 1.113 -1.603 -1.930) 2.745 8.097 ( 1.113 -1.603 1.930) 2.745 8.369 ( 6.165 0.174 -1.293) 6.302 8.369 ( 6.165 0.174 1.293) 6.302 8.476 ( -4.309 0.300 -2.967) 5.240 8.476 ( -4.309 0.300 2.967) 5.240 8.910 ( -6.027 -1.136 -3.066) 6.857 8.910 ( -6.027 -1.136 3.066) 6.857 14.379 ( 5.246 0.423 -4.582) 6.978 14.379 ( 5.246 0.423 4.582) 6.978 14.865 ( -20.044 -0.228 -4.447) 20.532 14.865 ( -20.044 -0.228 4.447) 20.532 16.693 ( 6.940 0.808 -2.584) 7.450 16.693 ( 6.940 0.808 2.584) 7.450 16.940 ( 6.268 -1.211 -2.332) 6.796 16.940 ( 6.268 -1.211 2.332) 6.796 17.177 ( 13.280 0.081 -2.490) 13.512 17.177 ( 13.280 0.081 2.490) 13.512 18.646 ( -10.347 1.796 -3.605) 11.103 18.646 ( -10.347 1.796 3.605) 11.103 19.089 ( 10.317 2.398 -2.994) 11.007 19.089 ( 10.317 2.398 2.994) 11.007 19.585 ( 3.179 2.107 -12.611) 13.175 19.585 ( 3.179 2.107 12.611) 13.175 20.607 ( 1.708 -0.417 -2.011) 2.671 20.607 ( 1.708 -0.417 2.011) 2.671 21.004 ( -2.547 0.205 -2.478) 3.560 21.004 ( -2.547 0.205 2.478) 3.560 21.962 ( 2.878 0.925 -9.089) 9.579 21.962 ( 2.878 0.925 9.089) 9.579 22.400 ( -11.790 -0.473 -0.582) 11.814 22.400 ( -11.790 -0.473 0.582) 11.814 22.868 ( -1.150 -0.583 -16.356) 16.407 22.868 ( -1.150 -0.583 16.356) 16.407 23.990 ( 1.840 0.030 -3.170) 3.665 23.990 ( 1.840 0.030 3.170) 3.665 25.270 ( -8.614 -0.026 -6.467) 10.772 25.270 ( -8.614 -0.026 6.467) 10.772 44.873 ( -0.004 -0.489 -10.115) 10.126 44.873 ( -0.004 -0.489 10.115) 10.126 45.274 ( 1.506 -0.226 -2.444) 2.880 45.274 ( 1.506 -0.226 2.444) 2.880 45.520 ( 1.186 0.468 -5.166) 5.321 45.520 ( 1.186 0.468 5.166) 5.321 47.200 ( 3.286 0.476 -4.828) 5.859 47.200 ( 3.286 0.476 4.828) 5.859 47.962 ( -2.566 -0.943 -9.107) 9.508 47.962 ( -2.566 -0.943 9.107) 9.508 94.638 ( 2.722 0.590 -2.852) 3.986 94.638 ( 2.722 0.590 2.852) 3.986 95.243 ( 5.015 -0.709 -2.061) 5.469 95.243 ( 5.015 -0.709 2.061) 5.469 95.553 ( -4.148 0.951 -6.359) 7.652 95.553 ( -4.148 0.951 6.359) 7.652 96.042 ( -2.326 -0.455 -2.007) 3.106 96.042 ( -2.326 -0.455 2.007) 3.106 96.527 ( 0.628 -0.169 -3.201) 3.266 96.527 ( 0.628 -0.169 3.201) 3.266 97.038 ( -0.372 -0.070 -7.489) 7.498 97.038 ( -0.372 -0.070 7.489) 7.498 97.727 ( -4.023 0.844 -13.867) 14.463 97.727 ( -4.023 0.844 13.867) 14.463 100.017 ( -7.633 3.954 -5.991) 10.478 100.017 ( -7.633 3.954 5.991) 10.478 101.653 ( -33.664 0.275 -9.998) 35.119 101.653 ( -33.664 0.275 9.998) 35.119 103.196 ( 38.698 2.220 -0.779) 38.770 103.196 ( 38.698 2.220 0.779) 38.770 ======================= Grid point 259 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.397 -11.921 -7.146) 14.578 1.508 ( 4.397 -11.921 7.146) 14.578 2.195 ( 7.455 -3.323 -6.359) 10.347 2.195 ( 7.455 -3.323 6.359) 10.347 2.544 ( 1.696 0.070 -1.382) 2.189 2.544 ( 1.696 0.070 1.382) 2.189 2.830 ( 0.082 -1.458 -4.586) 4.813 2.830 ( 0.082 -1.458 4.586) 4.813 3.207 ( 6.574 3.358 -5.377) 9.133 3.207 ( 6.574 3.358 5.377) 9.133 3.555 ( -7.099 -0.281 -4.501) 8.411 3.555 ( -7.099 -0.281 4.501) 8.411 3.838 ( 11.173 -3.074 -16.220) 19.934 3.838 ( 11.173 -3.074 16.220) 19.934 4.081 ( -0.785 -0.016 -6.746) 6.792 4.081 ( -0.785 -0.016 6.746) 6.792 4.502 ( 5.475 -1.734 -16.589) 17.555 4.502 ( 5.475 -1.734 16.589) 17.555 4.855 ( -0.464 0.899 -8.797) 8.855 4.855 ( -0.464 0.899 8.797) 8.855 5.072 ( 5.115 1.452 -4.174) 6.760 5.072 ( 5.115 1.452 4.174) 6.760 5.268 ( -4.013 1.487 -4.599) 6.283 5.268 ( -4.013 1.487 4.599) 6.283 5.606 ( -3.661 6.662 -9.502) 12.169 5.606 ( -3.661 6.662 9.502) 12.169 5.838 ( 7.116 0.113 -3.409) 7.891 5.838 ( 7.116 0.113 3.409) 7.891 6.322 ( 4.884 -0.155 -4.331) 6.530 6.322 ( 4.884 -0.155 4.331) 6.530 6.631 ( 8.101 5.100 -3.943) 10.352 6.631 ( 8.101 5.100 3.943) 10.352 6.668 ( -0.608 -0.440 -2.485) 2.596 6.668 ( -0.608 -0.440 2.485) 2.596 7.122 ( -8.550 -2.861 -1.459) 9.134 7.122 ( -8.550 -2.861 1.459) 9.134 7.291 ( -3.308 0.199 -1.827) 3.784 7.291 ( -3.308 0.199 1.827) 3.784 7.821 ( -6.630 -0.379 -3.951) 7.727 7.821 ( -6.630 -0.379 3.951) 7.727 8.115 ( -2.320 -2.376 -4.395) 5.509 8.115 ( -2.320 -2.376 4.395) 5.509 8.384 ( -2.454 1.235 -0.296) 2.763 8.384 ( -2.454 1.235 0.296) 2.763 8.517 ( 7.972 -0.617 -0.712) 8.028 8.517 ( 7.972 -0.617 0.712) 8.028 8.777 ( -10.237 -1.911 -3.743) 11.066 8.777 ( -10.237 -1.911 3.743) 11.066 14.390 ( -11.706 0.982 -1.640) 11.861 14.390 ( -11.706 0.982 1.640) 11.861 14.588 ( -2.330 -0.839 -2.658) 3.633 14.588 ( -2.330 -0.839 2.658) 3.633 16.850 ( 11.560 0.978 -9.625) 15.074 16.850 ( 11.560 0.978 9.625) 15.074 17.061 ( 5.907 -2.657 -7.840) 10.169 17.061 ( 5.907 -2.657 7.840) 10.169 17.463 ( 17.277 0.151 -7.961) 19.023 17.463 ( 17.277 0.151 7.961) 19.023 18.466 ( -7.415 3.564 -7.196) 10.930 18.466 ( -7.415 3.564 7.196) 10.930 19.177 ( 1.611 1.982 -3.058) 3.984 19.177 ( 1.611 1.982 3.058) 3.984 19.646 ( 7.416 4.849 -7.843) 11.833 19.646 ( 7.416 4.849 7.843) 11.833 20.666 ( 4.596 -0.733 -3.112) 5.599 20.666 ( 4.596 -0.733 3.112) 5.599 20.954 ( -2.751 -0.157 -0.538) 2.808 20.954 ( -2.751 -0.157 0.538) 2.808 22.004 ( 1.718 1.636 -4.067) 4.709 22.004 ( 1.718 1.636 4.067) 4.709 22.165 ( -13.276 -0.745 -2.729) 13.574 22.165 ( -13.276 -0.745 2.729) 13.574 22.812 ( -6.005 -0.982 -17.621) 18.642 22.812 ( -6.005 -0.982 17.621) 18.642 24.032 ( 2.760 -0.004 -3.016) 4.089 24.032 ( 2.760 -0.004 3.016) 4.089 25.070 ( -13.482 -0.226 -6.414) 14.932 25.070 ( -13.482 -0.226 6.414) 14.932 44.887 ( 1.014 -0.810 -8.593) 8.690 44.887 ( 1.014 -0.810 8.593) 8.690 45.288 ( -0.648 -0.251 -2.905) 2.987 45.288 ( -0.648 -0.251 2.905) 2.987 45.557 ( 3.760 0.709 -3.440) 5.146 45.557 ( 3.760 0.709 3.440) 5.146 47.276 ( 5.956 0.892 -5.078) 7.877 47.276 ( 5.956 0.892 5.078) 7.877 47.908 ( -4.897 -1.609 -8.569) 10.000 47.908 ( -4.897 -1.609 8.569) 10.000 94.700 ( 5.201 1.127 -3.069) 6.143 94.700 ( 5.201 1.127 3.069) 6.143 95.347 ( 3.051 -0.663 -3.669) 4.818 95.347 ( 3.051 -0.663 3.669) 4.818 95.463 ( -2.418 0.540 -2.841) 3.770 95.463 ( -2.418 0.540 2.841) 3.770 95.994 ( -3.637 -0.825 -3.146) 4.880 95.994 ( -3.637 -0.825 3.146) 4.880 96.542 ( 0.779 -0.320 -2.644) 2.775 96.542 ( 0.779 -0.320 2.644) 2.775 97.034 ( -0.147 -0.360 -6.174) 6.186 97.034 ( -0.147 -0.360 6.174) 6.186 97.616 ( -6.882 1.804 -10.299) 12.517 97.616 ( -6.882 1.804 10.299) 12.517 99.827 ( -8.297 4.301 -13.630) 16.526 99.827 ( -8.297 4.301 13.630) 16.526 101.166 ( -22.294 -0.829 -3.906) 22.649 101.166 ( -22.294 -0.829 3.906) 22.649 103.769 ( 29.428 4.463 -1.755) 29.817 103.769 ( 29.428 4.463 1.755) 29.817 ======================= Grid point 261 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 10.718 -9.159 -8.253) 16.337 1.755 ( 10.718 -9.159 8.253) 16.337 2.320 ( 3.983 -3.576 -3.392) 6.337 2.320 ( 3.983 -3.576 3.392) 6.337 2.565 ( 0.703 -2.147 -3.100) 3.836 2.565 ( 0.703 -2.147 3.100) 3.836 2.858 ( -0.500 -1.609 -6.224) 6.448 2.858 ( -0.500 -1.609 6.224) 6.448 3.258 ( 3.429 6.393 -2.761) 7.762 3.258 ( 3.429 6.393 2.761) 7.762 3.451 ( -4.565 -1.824 -9.297) 10.517 3.451 ( -4.565 -1.824 9.297) 10.517 3.983 ( 2.724 0.228 -5.085) 5.773 3.983 ( 2.724 0.228 5.085) 5.773 4.164 ( 8.382 -5.169 -9.857) 13.934 4.164 ( 8.382 -5.169 9.857) 13.934 4.577 ( -0.288 0.532 -16.046) 16.057 4.577 ( -0.288 0.532 16.046) 16.057 4.822 ( 0.407 2.800 -6.081) 6.707 4.822 ( 0.407 2.800 6.081) 6.707 5.056 ( -3.992 1.526 -4.829) 6.449 5.056 ( -3.992 1.526 4.829) 6.449 5.255 ( 3.366 2.241 -10.705) 11.443 5.255 ( 3.366 2.241 10.705) 11.443 5.559 ( 3.932 3.512 -9.498) 10.863 5.559 ( 3.932 3.512 9.498) 10.863 5.937 ( 5.181 2.646 -5.692) 8.139 5.937 ( 5.181 2.646 5.692) 8.139 6.386 ( 1.221 1.185 -3.421) 3.821 6.386 ( 1.221 1.185 3.421) 3.821 6.620 ( -2.772 -3.365 -3.040) 5.315 6.620 ( -2.772 -3.365 3.040) 5.315 6.764 ( 7.654 3.145 -1.991) 8.511 6.764 ( 7.654 3.145 1.991) 8.511 7.013 ( -5.749 -2.605 -4.957) 8.026 7.013 ( -5.749 -2.605 4.957) 8.026 7.238 ( -1.302 2.407 -1.723) 3.234 7.238 ( -1.302 2.407 1.723) 3.234 7.725 ( -4.692 -1.564 -2.738) 5.653 7.725 ( -4.692 -1.564 2.738) 5.653 8.040 ( -6.872 -0.802 -4.165) 8.076 8.040 ( -6.872 -0.802 4.165) 8.076 8.374 ( 1.224 -0.044 -2.579) 2.855 8.374 ( 1.224 -0.044 2.579) 2.855 8.593 ( -7.647 -0.214 -3.248) 8.311 8.593 ( -7.647 -0.214 3.248) 8.311 8.662 ( 3.220 -2.054 -1.864) 4.250 8.662 ( 3.220 -2.054 1.864) 4.250 14.121 ( -13.408 -0.080 -0.673) 13.426 14.121 ( -13.408 -0.080 0.673) 13.426 14.654 ( 4.592 0.094 -5.139) 6.892 14.654 ( 4.592 0.094 5.139) 6.892 17.058 ( 12.137 0.809 -10.836) 16.291 17.058 ( 12.137 0.809 10.836) 16.291 17.192 ( 5.813 -2.942 -6.168) 8.971 17.192 ( 5.813 -2.942 6.168) 8.971 17.728 ( 11.976 -0.657 -10.594) 16.003 17.728 ( 11.976 -0.657 10.594) 16.003 18.319 ( -5.717 4.217 -6.473) 9.610 18.319 ( -5.717 4.217 6.473) 9.610 19.136 ( -2.996 1.747 -3.116) 4.662 19.136 ( -2.996 1.747 3.116) 4.662 19.743 ( 7.627 4.372 -2.605) 9.169 19.743 ( 7.627 4.372 2.605) 9.169 20.775 ( 6.322 -1.127 -4.180) 7.662 20.775 ( 6.322 -1.127 4.180) 7.662 20.912 ( -2.103 0.042 -0.424) 2.146 20.912 ( -2.103 0.042 0.424) 2.146 21.853 ( -13.602 -0.080 -2.067) 13.758 21.853 ( -13.602 -0.080 2.067) 13.758 22.120 ( 4.622 1.165 -4.038) 6.248 22.120 ( 4.622 1.165 4.038) 6.248 22.689 ( -8.575 -1.159 -16.720) 18.826 22.689 ( -8.575 -1.159 16.720) 18.826 24.078 ( 2.347 -0.067 -2.092) 3.144 24.078 ( 2.347 -0.067 2.092) 3.144 24.836 ( -12.522 -0.319 -5.457) 13.663 24.836 ( -12.522 -0.319 5.457) 13.663 44.923 ( 2.115 -0.884 -6.711) 7.091 44.923 ( 2.115 -0.884 6.711) 7.091 45.256 ( -2.702 0.098 -3.634) 4.529 45.256 ( -2.702 0.098 3.634) 4.529 45.626 ( 4.199 0.507 -1.531) 4.498 45.626 ( 4.199 0.507 1.531) 4.498 47.386 ( 7.438 1.183 -5.316) 9.219 47.386 ( 7.438 1.183 5.316) 9.219 47.822 ( -6.531 -1.822 -7.583) 10.172 47.822 ( -6.531 -1.822 7.583) 10.172 94.796 ( 6.943 1.501 -3.395) 7.873 94.796 ( 6.943 1.501 3.395) 7.873 95.267 ( -8.096 -0.243 -6.104) 10.143 95.267 ( -8.096 -0.243 6.104) 10.143 95.547 ( 7.274 -0.554 -2.889) 7.847 95.547 ( 7.274 -0.554 2.889) 7.847 95.935 ( -3.872 -0.910 -3.075) 5.027 95.935 ( -3.872 -0.910 3.075) 5.027 96.558 ( 0.544 -0.363 -1.721) 1.841 96.558 ( 0.544 -0.363 1.721) 1.841 97.043 ( 0.647 -0.729 -4.264) 4.374 97.043 ( 0.647 -0.729 4.264) 4.374 97.471 ( -7.067 2.256 -5.917) 9.489 97.471 ( -7.067 2.256 5.917) 9.489 99.686 ( -4.223 2.314 -12.729) 13.610 99.686 ( -4.223 2.314 12.729) 13.610 100.869 ( -12.896 -0.724 -2.866) 13.230 100.869 ( -12.896 -0.724 2.866) 13.230 104.142 ( 17.778 4.127 -1.136) 18.286 104.142 ( 17.778 4.127 1.136) 18.286 ======================= Grid point 263 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 5.418 -2.548 -10.460) 12.052 1.964 ( 5.418 -2.548 10.460) 12.052 2.423 ( 3.749 -3.772 -3.179) 6.196 2.423 ( 3.749 -3.772 3.179) 6.196 2.586 ( -0.912 -0.588 -10.172) 10.229 2.586 ( -0.912 -0.588 10.172) 10.229 2.834 ( -1.622 -0.149 -5.216) 5.464 2.834 ( -1.622 -0.149 5.216) 5.464 3.223 ( -0.739 3.396 -1.688) 3.864 3.223 ( -0.739 3.396 1.688) 3.864 3.431 ( -0.494 -1.419 -7.758) 7.902 3.431 ( -0.494 -1.419 7.758) 7.902 4.017 ( 2.248 1.026 -1.523) 2.903 4.017 ( 2.248 1.026 1.523) 2.903 4.344 ( 3.967 -5.726 -4.503) 8.295 4.344 ( 3.967 -5.726 4.503) 8.295 4.493 ( -3.477 2.944 -6.331) 7.800 4.493 ( -3.477 2.944 6.331) 7.800 4.821 ( 0.672 3.202 -4.753) 5.770 4.821 ( 0.672 3.202 4.753) 5.770 4.991 ( -1.526 -0.361 -6.292) 6.484 4.991 ( -1.526 -0.361 6.292) 6.484 5.295 ( 2.037 0.865 -11.674) 11.882 5.295 ( 2.037 0.865 11.674) 11.882 5.628 ( 3.845 0.844 -13.781) 14.332 5.628 ( 3.845 0.844 13.781) 14.332 5.981 ( 2.447 1.792 -7.438) 8.033 5.981 ( 2.447 1.792 7.438) 8.033 6.338 ( -3.366 0.689 -7.651) 8.387 6.338 ( -3.366 0.689 7.651) 8.387 6.641 ( 1.318 -1.798 -3.474) 4.127 6.641 ( 1.318 -1.798 3.474) 4.127 6.803 ( -1.345 -0.474 -5.892) 6.062 6.803 ( -1.345 -0.474 5.892) 6.062 6.976 ( -0.342 0.198 -4.148) 4.166 6.976 ( -0.342 0.198 4.148) 4.166 7.238 ( 2.717 1.194 -2.890) 4.142 7.238 ( 2.717 1.194 2.890) 4.142 7.675 ( -2.428 -0.673 -1.454) 2.909 7.675 ( -2.428 -0.673 1.454) 2.909 7.941 ( -3.491 -0.096 -2.085) 4.068 7.941 ( -3.491 -0.096 2.085) 4.068 8.395 ( 0.551 -0.164 -3.291) 3.341 8.395 ( 0.551 -0.164 3.291) 3.341 8.472 ( -4.298 -0.634 -4.008) 5.911 8.472 ( -4.298 -0.634 4.008) 5.911 8.732 ( 2.000 -0.404 -1.367) 2.456 8.732 ( 2.000 -0.404 1.367) 2.456 13.962 ( -4.649 -0.117 -0.684) 4.701 13.962 ( -4.649 -0.117 0.684) 4.701 14.709 ( 1.658 0.100 -5.098) 5.362 14.709 ( 1.658 0.100 5.098) 5.362 17.220 ( 5.753 0.144 -7.815) 9.705 17.220 ( 5.753 0.144 7.815) 9.705 17.291 ( 2.459 -1.163 -6.768) 7.294 17.291 ( 2.459 -1.163 6.768) 7.294 17.890 ( 5.553 -1.186 -6.530) 8.654 17.890 ( 5.553 -1.186 6.530) 8.654 18.191 ( -4.507 2.677 -2.486) 5.802 18.191 ( -4.507 2.677 2.486) 5.802 19.083 ( -1.150 0.844 -1.251) 1.898 19.083 ( -1.150 0.844 1.251) 1.898 19.815 ( 3.169 1.606 -2.915) 4.596 19.815 ( 3.169 1.606 2.915) 4.596 20.860 ( 0.024 -1.493 -5.433) 5.634 20.860 ( 0.024 -1.493 5.433) 5.634 20.901 ( 2.535 1.006 -3.481) 4.422 20.901 ( 2.535 1.006 3.481) 4.422 21.664 ( -6.494 -0.066 -1.301) 6.623 21.664 ( -6.494 -0.066 1.301) 6.623 22.197 ( 3.892 0.757 -6.438) 7.560 22.197 ( 3.892 0.757 6.438) 7.560 22.564 ( -5.300 -0.716 -9.766) 11.135 22.564 ( -5.300 -0.716 9.766) 11.135 24.109 ( 0.950 -0.049 -0.996) 1.377 24.109 ( 0.950 -0.049 0.996) 1.377 24.674 ( -5.243 -0.144 -2.324) 5.737 24.674 ( -5.243 -0.144 2.324) 5.737 44.965 ( 1.463 -0.468 -3.080) 3.442 44.965 ( 1.463 -0.468 3.080) 3.442 45.210 ( -1.772 0.192 -2.337) 2.939 45.210 ( -1.772 0.192 2.337) 2.939 45.678 ( 1.728 0.174 -0.548) 1.821 45.678 ( 1.728 0.174 0.548) 1.821 47.499 ( 5.539 0.972 -3.954) 6.875 47.499 ( 5.539 0.972 3.954) 6.875 47.725 ( -5.184 -1.227 -4.718) 7.116 47.725 ( -5.184 -1.227 4.718) 7.116 94.903 ( 5.663 1.164 -2.806) 6.427 94.903 ( 5.663 1.164 2.806) 6.427 95.136 ( -6.191 -0.715 -3.754) 7.276 95.136 ( -6.191 -0.715 3.754) 7.276 95.656 ( 3.947 -0.155 -4.789) 6.208 95.656 ( 3.947 -0.155 4.789) 6.208 95.882 ( -2.437 -0.462 -1.841) 3.089 95.882 ( -2.437 -0.462 1.841) 3.089 96.567 ( 0.192 -0.175 -0.746) 0.790 96.567 ( 0.192 -0.175 0.746) 0.790 97.065 ( 0.790 -0.550 -1.790) 2.032 97.065 ( 0.790 -0.550 1.790) 2.032 97.356 ( -3.388 1.223 -2.303) 4.275 97.356 ( -3.388 1.223 2.303) 4.275 99.631 ( -0.995 0.612 -5.156) 5.287 99.631 ( -0.995 0.612 5.156) 5.287 100.722 ( -4.398 -0.223 -3.625) 5.704 100.722 ( -4.398 -0.223 3.625) 5.704 104.323 ( 5.932 1.641 -0.469) 6.173 104.323 ( 5.932 1.641 0.469) 6.173 ======================= Grid point 275 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 6.208 0.000 -10.585) 12.271 1.392 ( 6.208 0.000 10.585) 12.271 2.166 ( 8.122 0.000 -7.985) 11.389 2.166 ( 8.122 0.000 7.985) 11.389 2.546 ( 1.575 0.000 -0.256) 1.596 2.546 ( 1.575 0.000 0.256) 1.596 2.816 ( -1.071 -0.000 -4.974) 5.088 2.816 ( -1.071 -0.000 4.974) 5.088 3.235 ( 7.357 0.000 -5.552) 9.217 3.235 ( 7.357 0.000 5.552) 9.217 3.556 ( -6.269 -0.000 -2.681) 6.818 3.556 ( -6.269 -0.000 2.681) 6.818 3.810 ( 10.626 0.000 -12.613) 16.492 3.810 ( 10.626 0.000 12.613) 16.492 4.081 ( -0.989 -0.000 -7.052) 7.121 4.081 ( -0.989 -0.000 7.052) 7.121 4.484 ( 5.617 0.000 -17.763) 18.630 4.484 ( 5.617 0.000 17.763) 18.630 4.860 ( -0.016 -0.000 -11.085) 11.085 4.860 ( -0.016 -0.000 11.085) 11.085 5.089 ( 5.743 0.000 -3.032) 6.494 5.089 ( 5.743 0.000 3.032) 6.494 5.281 ( -4.138 -0.000 -5.707) 7.050 5.281 ( -4.138 -0.000 5.707) 7.050 5.674 ( -6.066 -0.000 -5.223) 8.004 5.674 ( -6.066 -0.000 5.223) 8.004 5.836 ( 9.658 0.000 -4.879) 10.820 5.836 ( 9.658 0.000 4.879) 10.820 6.319 ( 4.683 0.000 -5.137) 6.952 6.319 ( 4.683 0.000 5.137) 6.952 6.642 ( -3.871 -0.000 -0.159) 3.874 6.642 ( -3.871 -0.000 0.159) 3.874 6.704 ( 9.940 0.000 -5.504) 11.362 6.704 ( 9.940 0.000 5.504) 11.362 7.087 ( -10.066 -0.000 -0.393) 10.073 7.087 ( -10.066 -0.000 0.393) 10.073 7.296 ( -1.129 -0.000 -3.130) 3.327 7.296 ( -1.129 -0.000 3.130) 3.327 7.817 ( -7.581 -0.000 -4.279) 8.705 7.817 ( -7.581 -0.000 4.279) 8.705 8.092 ( -1.495 -0.000 -4.562) 4.801 8.092 ( -1.495 -0.000 4.562) 4.801 8.398 ( -3.344 -0.000 -0.565) 3.392 8.398 ( -3.344 -0.000 0.565) 3.392 8.509 ( 8.478 0.000 -1.172) 8.559 8.509 ( 8.478 0.000 1.172) 8.559 8.760 ( -10.062 -0.000 -2.701) 10.419 8.760 ( -10.062 -0.000 2.701) 10.419 14.399 ( -12.911 -0.000 -1.248) 12.971 14.399 ( -12.911 -0.000 1.248) 12.971 14.580 ( -1.221 -0.000 -2.243) 2.554 14.580 ( -1.221 -0.000 2.243) 2.554 16.860 ( 11.472 0.000 -9.254) 14.739 16.860 ( 11.472 0.000 9.254) 14.739 17.036 ( 5.856 0.000 -8.854) 10.615 17.036 ( 5.856 0.000 8.854) 10.615 17.465 ( 17.007 0.000 -8.602) 19.059 17.465 ( 17.007 0.000 8.602) 19.059 18.500 ( -7.430 -0.000 -5.769) 9.407 18.500 ( -7.430 -0.000 5.769) 9.407 19.196 ( 0.872 0.000 -4.020) 4.114 19.196 ( 0.872 0.000 4.020) 4.114 19.691 ( 7.031 0.000 -7.893) 10.570 19.691 ( 7.031 0.000 7.893) 10.570 20.658 ( 4.521 0.000 -3.313) 5.605 20.658 ( 4.521 0.000 3.313) 5.605 20.953 ( -2.772 -0.000 -0.082) 2.773 20.953 ( -2.772 -0.000 0.082) 2.773 22.020 ( 1.366 0.000 -3.598) 3.848 22.020 ( 1.366 0.000 3.598) 3.848 22.159 ( -12.831 -0.000 -2.403) 13.054 22.159 ( -12.831 -0.000 2.403) 13.054 22.803 ( -5.964 -0.000 -17.664) 18.643 22.803 ( -5.964 -0.000 17.664) 18.643 24.032 ( 2.735 0.000 -3.140) 4.164 24.032 ( 2.735 0.000 3.140) 4.164 25.068 ( -13.553 -0.000 -6.359) 14.971 25.068 ( -13.553 -0.000 6.359) 14.971 44.879 ( 1.077 0.000 -8.670) 8.737 44.879 ( 1.077 0.000 8.670) 8.737 45.286 ( -0.478 -0.000 -2.662) 2.704 45.286 ( -0.478 -0.000 2.662) 2.704 45.564 ( 3.607 0.000 -3.638) 5.123 45.564 ( 3.607 0.000 3.638) 5.123 47.284 ( 5.947 0.000 -5.100) 7.834 47.284 ( 5.947 0.000 5.100) 7.834 47.893 ( -4.789 -0.000 -8.423) 9.689 47.893 ( -4.789 -0.000 8.423) 9.689 94.710 ( 5.241 0.000 -2.793) 5.939 94.710 ( 5.241 0.000 2.793) 5.939 95.341 ( 3.928 0.000 -3.849) 5.499 95.341 ( 3.928 0.000 3.849) 5.499 95.469 ( -3.608 -0.000 -2.869) 4.609 95.469 ( -3.608 -0.000 2.869) 4.609 95.986 ( -3.648 -0.000 -0.377) 3.667 95.986 ( -3.648 -0.000 0.377) 3.667 96.539 ( 0.785 0.000 -2.589) 2.705 96.539 ( 0.785 0.000 2.589) 2.705 97.031 ( -0.262 -0.000 -6.284) 6.289 97.031 ( -0.262 -0.000 6.284) 6.289 97.633 ( -6.857 -0.000 -11.016) 12.976 97.633 ( -6.857 -0.000 11.016) 12.976 99.869 ( -9.872 -0.000 -11.219) 14.944 99.869 ( -9.872 -0.000 11.219) 14.944 101.158 ( -22.377 -0.000 -3.213) 22.606 101.158 ( -22.377 -0.000 3.213) 22.606 103.812 ( 29.115 0.000 -2.503) 29.222 103.812 ( 29.115 0.000 2.503) 29.222 ======================= Grid point 277 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 15.923 -4.210 -6.878) 17.848 1.626 ( 15.923 -4.210 6.878) 17.848 2.284 ( 5.269 -0.854 -6.150) 8.143 2.284 ( 5.269 -0.854 6.150) 8.143 2.541 ( -0.595 -0.671 -1.920) 2.119 2.541 ( -0.595 -0.671 1.920) 2.119 2.840 ( 1.676 -0.457 -4.479) 4.804 2.840 ( 1.676 -0.457 4.479) 4.804 3.338 ( 3.565 2.202 -2.949) 5.124 3.338 ( 3.565 2.202 2.949) 5.124 3.434 ( -6.252 -0.098 -5.038) 8.030 3.434 ( -6.252 -0.098 5.038) 8.030 3.964 ( 5.370 -1.449 -5.266) 7.659 3.964 ( 5.370 -1.449 5.266) 7.659 4.112 ( 4.789 -0.970 -8.293) 9.626 4.112 ( 4.789 -0.970 8.293) 9.626 4.579 ( 2.717 -0.058 -17.811) 18.017 4.579 ( 2.717 -0.058 17.811) 18.017 4.844 ( -0.445 0.239 -9.711) 9.725 4.844 ( -0.445 0.239 9.711) 9.725 5.094 ( -3.320 1.696 -2.608) 4.550 5.094 ( -3.320 1.696 2.608) 4.550 5.277 ( 2.614 0.411 -11.308) 11.614 5.277 ( 2.614 0.411 11.308) 11.614 5.611 ( 0.591 1.830 -3.945) 4.389 5.611 ( 0.591 1.830 3.945) 4.389 5.980 ( 6.757 1.664 -9.329) 11.638 5.980 ( 6.757 1.664 9.329) 11.638 6.408 ( 4.406 1.099 -2.846) 5.359 6.408 ( 4.406 1.099 2.846) 5.359 6.553 ( -6.166 -2.936 -0.834) 6.880 6.553 ( -6.166 -2.936 0.834) 6.880 6.831 ( 4.436 3.658 -0.765) 5.800 6.831 ( 4.436 3.658 0.765) 5.800 6.948 ( -5.245 -3.745 -3.022) 7.118 6.948 ( -5.245 -3.745 3.022) 7.118 7.283 ( -0.257 1.774 -2.254) 2.880 7.283 ( -0.257 1.774 2.254) 2.880 7.699 ( -4.978 -1.036 -3.031) 5.919 7.699 ( -4.978 -1.036 3.031) 5.919 8.029 ( -5.520 -0.345 -4.889) 7.382 8.029 ( -5.520 -0.345 4.889) 7.382 8.377 ( 0.786 0.239 -3.605) 3.698 8.377 ( 0.786 0.239 3.605) 3.698 8.571 ( -9.433 -1.221 -1.692) 9.661 8.571 ( -9.433 -1.221 1.692) 9.661 8.652 ( 5.607 0.119 -0.679) 5.649 8.652 ( 5.607 0.119 0.679) 5.649 14.120 ( -13.660 -0.034 -0.392) 13.666 14.120 ( -13.660 -0.034 0.392) 13.666 14.656 ( 4.784 0.051 -5.612) 7.374 14.656 ( 4.784 0.051 5.612) 7.374 17.073 ( 12.097 0.680 -11.141) 16.460 17.073 ( 12.097 0.680 11.141) 16.460 17.150 ( 6.290 -1.519 -7.842) 10.167 17.150 ( 6.290 -1.519 7.842) 10.167 17.720 ( 11.424 -0.205 -11.498) 16.210 17.720 ( 11.424 -0.205 11.498) 16.210 18.377 ( -6.029 1.878 -5.478) 8.360 18.377 ( -6.029 1.878 5.478) 8.360 19.159 ( -3.468 0.701 -3.716) 5.131 19.159 ( -3.468 0.701 3.716) 5.131 19.792 ( 4.576 1.294 -1.429) 4.965 19.792 ( 4.576 1.294 1.429) 4.965 20.757 ( 5.831 -0.599 -4.988) 7.697 20.757 ( 5.831 -0.599 4.988) 7.697 20.918 ( -0.984 0.301 -1.233) 1.606 20.918 ( -0.984 0.301 1.233) 1.606 21.853 ( -13.677 0.036 -2.031) 13.827 21.853 ( -13.677 0.036 2.031) 13.827 22.137 ( 4.757 0.584 -3.301) 5.819 22.137 ( 4.757 0.584 3.301) 5.819 22.674 ( -8.434 -0.483 -16.496) 18.533 22.674 ( -8.434 -0.483 16.496) 18.533 24.078 ( 2.336 -0.015 -2.337) 3.304 24.078 ( 2.336 -0.015 2.337) 3.304 24.831 ( -12.448 -0.144 -5.578) 13.642 24.831 ( -12.448 -0.144 5.578) 13.642 44.911 ( 2.319 -0.351 -7.061) 7.440 44.911 ( 2.319 -0.351 7.061) 7.440 45.257 ( -2.479 0.027 -3.130) 3.993 45.257 ( -2.479 0.027 3.130) 3.993 45.633 ( 3.941 0.232 -1.866) 4.366 45.633 ( 3.941 0.232 1.866) 4.366 47.401 ( 7.357 0.448 -5.315) 9.087 47.401 ( 7.357 0.448 5.315) 9.087 47.798 ( -6.192 -0.718 -7.203) 9.526 47.798 ( -6.192 -0.718 7.203) 9.526 94.816 ( 6.984 0.668 -2.720) 7.525 94.816 ( 6.984 0.668 2.720) 7.525 95.265 ( -8.598 -0.024 -6.765) 10.940 95.265 ( -8.598 -0.024 6.765) 10.940 95.538 ( 7.397 -0.318 -2.010) 7.672 95.538 ( 7.397 -0.318 2.010) 7.672 95.921 ( -3.807 -0.472 -1.869) 4.267 95.921 ( -3.807 -0.472 1.869) 4.267 96.553 ( 0.623 -0.151 -1.534) 1.663 96.553 ( 0.623 -0.151 1.534) 1.663 97.034 ( 0.595 -0.265 -4.454) 4.501 97.034 ( 0.595 -0.265 4.454) 4.501 97.500 ( -7.444 0.865 -7.083) 10.312 97.500 ( -7.444 0.865 7.083) 10.312 99.718 ( -6.060 1.062 -12.080) 13.557 99.718 ( -6.060 1.062 12.080) 13.557 100.860 ( -12.417 -0.290 -2.388) 12.648 100.860 ( -12.417 -0.290 2.388) 12.648 104.199 ( 16.088 1.813 -2.117) 16.328 104.199 ( 16.088 1.813 2.117) 16.328 ======================= Grid point 279 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 10.931 -2.291 -5.037) 12.252 1.918 ( 10.931 -2.291 5.037) 12.252 2.390 ( 7.490 -0.255 -1.504) 7.643 2.390 ( 7.490 -0.255 1.504) 7.643 2.572 ( 2.723 -1.168 -8.311) 8.824 2.572 ( 2.723 -1.168 8.311) 8.824 2.844 ( -0.760 1.262 -2.697) 3.073 2.844 ( -0.760 1.262 2.697) 3.073 3.244 ( -8.618 -0.880 -9.124) 12.581 3.244 ( -8.618 -0.880 9.124) 12.581 3.432 ( 2.953 1.515 -6.174) 7.009 3.432 ( 2.953 1.515 6.174) 7.009 4.029 ( 1.540 0.026 -0.592) 1.650 4.029 ( 1.540 0.026 0.592) 1.650 4.239 ( 5.577 -4.677 -5.830) 9.326 4.239 ( 5.577 -4.677 5.830) 9.326 4.528 ( -5.418 0.960 -9.459) 10.943 4.528 ( -5.418 0.960 9.459) 10.943 4.879 ( 2.838 2.164 -8.295) 9.030 4.879 ( 2.838 2.164 8.295) 9.030 5.005 ( -3.250 1.992 -5.988) 7.098 5.005 ( -3.250 1.992 5.988) 7.098 5.300 ( -0.210 -0.158 -12.168) 12.171 5.300 ( -0.210 -0.158 12.168) 12.171 5.637 ( 1.514 0.356 -12.426) 12.523 5.637 ( 1.514 0.356 12.426) 12.523 6.034 ( 1.908 3.348 -7.842) 8.737 6.034 ( 1.908 3.348 7.842) 8.737 6.355 ( -5.314 1.322 -5.652) 7.869 6.355 ( -5.314 1.322 5.652) 7.869 6.591 ( 4.584 -3.543 -3.317) 6.676 6.591 ( 4.584 -3.543 3.317) 6.676 6.802 ( -2.387 0.452 -2.682) 3.619 6.802 ( -2.387 0.452 2.682) 3.619 6.947 ( -1.371 -2.552 -1.221) 3.144 6.947 ( -1.371 -2.552 1.221) 3.144 7.278 ( 1.665 2.379 -2.575) 3.881 7.278 ( 1.665 2.379 2.575) 3.881 7.661 ( -1.015 -0.733 -1.371) 1.857 7.661 ( -1.015 -0.733 1.371) 1.857 7.941 ( -3.283 0.032 -2.769) 4.295 7.941 ( -3.283 0.032 2.769) 4.295 8.397 ( 0.984 0.275 -3.721) 3.859 8.397 ( 0.984 0.275 3.721) 3.859 8.452 ( -3.776 -1.344 -3.253) 5.162 8.452 ( -3.776 -1.344 3.253) 5.162 8.732 ( 2.957 0.240 -1.125) 3.173 8.732 ( 2.957 0.240 1.125) 3.173 13.960 ( -4.479 -0.078 -0.515) 4.509 13.960 ( -4.479 -0.078 0.515) 4.509 14.711 ( 1.514 0.083 -5.348) 5.559 14.711 ( 1.514 0.083 5.348) 5.559 17.227 ( 5.480 0.564 -8.036) 9.743 17.227 ( 5.480 0.564 8.036) 9.743 17.267 ( 4.183 -1.405 -6.345) 7.728 17.267 ( 4.183 -1.405 6.345) 7.728 17.871 ( 5.770 -0.827 -7.735) 9.685 17.871 ( 5.770 -0.827 7.735) 9.685 18.245 ( -6.304 2.845 -2.366) 7.310 18.245 ( -6.304 2.845 2.366) 7.310 19.096 ( -2.520 0.570 -1.358) 2.919 19.096 ( -2.520 0.570 1.358) 2.919 19.820 ( -1.108 -0.589 -2.707) 2.984 19.820 ( -1.108 -0.589 2.707) 2.984 20.837 ( 2.025 -0.923 -6.109) 6.502 20.837 ( 2.025 -0.923 6.109) 6.502 20.922 ( 1.747 1.098 -5.109) 5.510 20.922 ( 1.747 1.098 5.109) 5.510 21.667 ( -6.053 0.293 -1.089) 6.157 21.667 ( -6.053 0.293 1.089) 6.157 22.210 ( 2.829 0.604 -4.019) 4.952 22.210 ( 2.829 0.604 4.019) 4.952 22.553 ( -4.316 -0.524 -7.572) 8.731 22.553 ( -4.316 -0.524 7.572) 8.731 24.109 ( 1.029 -0.016 -1.187) 1.571 24.109 ( 1.029 -0.016 1.187) 1.571 24.672 ( -4.993 -0.105 -2.771) 5.711 24.672 ( -4.993 -0.105 2.771) 5.711 44.957 ( 2.124 -0.339 -4.063) 4.597 44.957 ( 2.124 -0.339 4.063) 4.597 45.213 ( -1.965 0.123 -2.016) 2.818 45.213 ( -1.965 0.123 2.016) 2.818 45.681 ( 1.479 0.196 -0.815) 1.700 45.681 ( 1.479 0.196 0.815) 1.700 47.511 ( 4.066 0.388 -2.830) 4.969 47.511 ( 4.066 0.388 2.830) 4.969 47.708 ( -3.304 -0.598 -3.030) 4.523 47.708 ( -3.304 -0.598 3.030) 4.523 94.923 ( 4.515 0.993 -1.212) 4.780 94.923 ( 4.515 0.993 1.212) 4.780 95.126 ( -5.610 -0.372 -3.657) 6.708 95.126 ( -5.610 -0.372 3.657) 6.708 95.652 ( 4.192 -0.301 -3.743) 5.628 95.652 ( 4.192 -0.301 3.743) 5.628 95.870 ( -2.106 -0.692 -2.190) 3.117 95.870 ( -2.106 -0.692 2.190) 3.117 96.564 ( 0.436 -0.152 -0.331) 0.568 96.564 ( 0.436 -0.152 0.331) 0.568 97.056 ( 1.380 -0.387 -2.133) 2.570 97.056 ( 1.380 -0.387 2.133) 2.570 97.377 ( -4.914 0.990 -3.568) 6.153 97.377 ( -4.914 0.990 3.568) 6.153 99.642 ( -2.138 0.546 -5.348) 5.785 99.642 ( -2.138 0.546 5.348) 5.785 100.719 ( -3.935 -0.106 -3.762) 5.445 100.719 ( -3.935 -0.106 3.762) 5.445 104.351 ( 3.200 1.307 -1.278) 3.686 104.351 ( 3.200 1.307 1.278) 3.686 ======================= Grid point 281 (84/100) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.611 1.628 -12.192) 12.315 2.002 ( -0.611 1.628 12.192) 12.315 2.515 ( 4.348 5.741 -1.810) 7.425 2.515 ( 4.348 5.741 1.810) 7.425 2.608 ( 2.567 2.206 -10.611) 11.137 2.608 ( 2.567 2.206 10.611) 11.137 2.839 ( 2.604 0.213 -5.476) 6.067 2.839 ( 2.604 0.213 5.476) 6.067 3.140 ( -5.891 -5.610 -3.524) 8.865 3.140 ( -5.891 -5.610 3.524) 8.865 3.465 ( 2.533 2.028 -5.615) 6.485 3.465 ( 2.533 2.028 5.615) 6.485 4.003 ( -4.207 -0.534 -2.793) 5.078 4.003 ( -4.207 -0.534 2.793) 5.078 4.366 ( 3.917 -3.928 -4.530) 7.162 4.366 ( 3.917 -3.928 4.530) 7.162 4.465 ( -1.303 0.493 -4.052) 4.285 4.465 ( -1.303 0.493 4.052) 4.285 4.811 ( -4.735 2.476 -0.853) 5.411 4.811 ( -4.735 2.476 0.853) 5.411 5.005 ( 2.478 0.940 -5.043) 5.697 5.005 ( 2.478 0.940 5.043) 5.697 5.269 ( -4.410 -1.995 -11.894) 12.841 5.269 ( -4.410 -1.995 11.894) 12.841 5.607 ( -5.575 -1.351 -14.082) 15.206 5.607 ( -5.575 -1.351 14.082) 15.206 5.982 ( -4.187 1.722 -6.360) 7.806 5.982 ( -4.187 1.722 6.360) 7.806 6.328 ( 2.313 -0.448 -8.114) 8.449 6.328 ( 2.313 -0.448 8.114) 8.449 6.658 ( -0.131 0.344 -4.263) 4.279 6.658 ( -0.131 0.344 4.263) 4.279 6.808 ( 3.022 -0.341 -6.612) 7.278 6.808 ( 3.022 -0.341 6.612) 7.278 6.935 ( -2.204 -3.485 -4.866) 6.379 6.935 ( -2.204 -3.485 4.866) 6.379 7.246 ( -2.960 1.529 -2.623) 4.240 7.246 ( -2.960 1.529 2.623) 4.240 7.683 ( 3.283 0.226 -1.059) 3.457 7.683 ( 3.283 0.226 1.059) 3.457 7.944 ( 3.786 0.176 -1.480) 4.069 7.944 ( 3.786 0.176 1.480) 4.069 8.402 ( 0.034 0.548 -3.390) 3.434 8.402 ( 0.034 0.548 3.390) 3.434 8.471 ( 4.422 -0.640 -3.733) 5.823 8.471 ( 4.422 -0.640 3.733) 5.823 8.747 ( -0.484 1.110 -0.931) 1.528 8.747 ( -0.484 1.110 0.931) 1.528 13.964 ( 4.841 0.100 -0.872) 4.920 13.964 ( 4.841 0.100 0.872) 4.920 14.708 ( -1.806 -0.061 -4.840) 5.166 14.708 ( -1.806 -0.061 4.840) 5.166 17.221 ( -6.202 0.152 -8.224) 10.301 17.221 ( -6.202 0.152 8.224) 10.301 17.305 ( -0.180 0.404 -7.034) 7.048 17.305 ( -0.180 0.404 7.034) 7.048 17.906 ( -4.026 0.432 -4.387) 5.970 17.906 ( -4.026 0.432 4.387) 5.970 18.166 ( 0.869 -0.068 -2.408) 2.561 18.166 ( 0.869 -0.068 2.408) 2.561 19.069 ( -0.407 -0.721 -0.985) 1.287 19.069 ( -0.407 -0.721 0.985) 1.287 19.763 ( -7.499 -3.785 -3.154) 8.973 19.763 ( -7.499 -3.785 3.154) 8.973 20.873 ( 1.876 -0.227 -2.611) 3.223 20.873 ( 1.876 -0.227 2.611) 3.223 20.903 ( -3.214 1.316 -5.639) 6.623 20.903 ( -3.214 1.316 5.639) 6.623 21.670 ( 6.807 0.525 -1.563) 7.004 21.670 ( 6.807 0.525 1.563) 7.004 22.185 ( -4.929 -0.524 -7.553) 9.034 22.185 ( -4.929 -0.524 7.553) 9.034 22.576 ( 6.355 0.567 -11.422) 13.083 22.576 ( 6.355 0.567 11.422) 13.083 24.110 ( -0.848 0.066 -0.682) 1.090 24.110 ( -0.848 0.066 0.682) 1.090 24.677 ( 5.498 0.113 -1.786) 5.781 24.677 ( 5.498 0.113 1.786) 5.781 44.972 ( -0.644 0.355 -1.884) 2.022 44.972 ( -0.644 0.355 1.884) 2.022 45.207 ( 1.481 -0.167 -2.416) 2.838 45.207 ( 1.481 -0.167 2.416) 2.838 45.676 ( -2.009 -0.026 -0.372) 2.043 45.676 ( -2.009 -0.026 0.372) 2.043 47.479 ( -6.514 -1.103 -4.622) 8.063 47.479 ( -6.514 -1.103 4.622) 8.063 47.748 ( 6.622 1.260 -6.045) 9.054 47.748 ( 6.622 1.260 6.045) 9.054 94.885 ( -6.833 -0.730 -4.222) 8.065 94.885 ( -6.833 -0.730 4.222) 8.065 95.150 ( 6.721 0.814 -3.394) 7.573 95.150 ( 6.721 0.814 3.394) 7.573 95.657 ( -3.741 -0.123 -5.198) 6.406 95.657 ( -3.741 -0.123 5.198) 6.406 95.884 ( 2.963 -0.224 -2.589) 3.941 95.884 ( 2.963 -0.224 2.589) 3.941 96.569 ( 0.102 0.086 -1.196) 1.203 96.569 ( 0.102 0.086 1.196) 1.203 97.073 ( 0.151 0.381 -1.244) 1.310 97.073 ( 0.151 0.381 1.244) 1.310 97.338 ( 1.248 -0.695 -1.268) 1.910 97.338 ( 1.248 -0.695 1.268) 1.910 99.622 ( -0.161 -0.320 -4.702) 4.716 99.622 ( -0.161 -0.320 4.702) 4.716 100.726 ( 4.898 0.255 -3.526) 6.041 100.726 ( 4.898 0.255 3.526) 6.041 104.298 ( -8.897 -1.103 -1.222) 9.048 104.298 ( -8.897 -1.103 1.222) 9.048 ======================= Grid point 283 (85/100) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -4.284 7.509 -15.227) 17.510 1.911 ( -4.284 7.509 15.227) 17.510 2.422 ( -3.541 7.948 -5.955) 10.544 2.422 ( -3.541 7.948 5.955) 10.544 2.616 ( -0.650 3.463 -5.195) 6.277 2.616 ( -0.650 3.463 5.195) 6.277 2.896 ( 3.034 2.606 -7.208) 8.243 2.896 ( 3.034 2.606 7.208) 8.243 3.125 ( -4.215 -8.332 -4.180) 10.231 3.125 ( -4.215 -8.332 4.180) 10.231 3.492 ( 3.790 2.579 -8.262) 9.448 3.492 ( 3.790 2.579 8.262) 9.448 3.955 ( -1.754 -2.400 -1.773) 3.461 3.955 ( -1.754 -2.400 1.773) 3.461 4.279 ( -9.694 6.865 -10.772) 16.035 4.279 ( -9.694 6.865 10.772) 16.035 4.548 ( 5.099 -3.055 -11.436) 12.888 4.548 ( 5.099 -3.055 11.436) 12.888 4.752 ( -2.764 -3.901 -0.806) 4.848 4.752 ( -2.764 -3.901 0.806) 4.848 5.055 ( 4.635 0.969 -6.435) 7.990 5.055 ( 4.635 0.969 6.435) 7.990 5.197 ( -5.949 -3.999 -10.547) 12.753 5.197 ( -5.949 -3.999 10.547) 12.753 5.501 ( -6.898 -2.736 -13.340) 15.265 5.501 ( -6.898 -2.736 13.340) 15.265 5.903 ( -4.356 -0.875 -3.239) 5.498 5.903 ( -4.356 -0.875 3.239) 5.498 6.367 ( -0.328 -0.948 -4.719) 4.825 6.367 ( -0.328 -0.948 4.719) 4.825 6.629 ( -4.353 -2.683 -1.838) 5.434 6.629 ( -4.353 -2.683 1.838) 5.434 6.747 ( -7.036 1.381 -5.600) 9.098 6.747 ( -7.036 1.381 5.600) 9.098 7.020 ( 7.466 -1.587 -4.412) 8.816 7.020 ( 7.466 -1.587 4.412) 8.816 7.226 ( 2.954 1.129 -1.677) 3.579 7.226 ( 2.954 1.129 1.677) 3.579 7.746 ( 4.350 0.768 -2.147) 4.911 7.746 ( 4.350 0.768 2.147) 4.911 8.054 ( 8.169 0.696 -2.838) 8.676 8.054 ( 8.169 0.696 2.838) 8.676 8.382 ( -1.413 0.791 -1.900) 2.497 8.382 ( -1.413 0.791 1.900) 2.497 8.576 ( 3.092 -1.554 -1.928) 3.962 8.576 ( 3.092 -1.554 1.928) 3.962 8.719 ( 2.225 3.581 -2.040) 4.684 8.719 ( 2.225 3.581 2.040) 4.684 14.122 ( 13.016 0.082 -1.017) 13.055 14.122 ( 13.016 0.082 1.017) 13.055 14.653 ( -4.266 -0.046 -4.458) 6.170 14.653 ( -4.266 -0.046 4.458) 6.170 17.046 ( -12.579 -0.499 -11.491) 17.045 17.046 ( -12.579 -0.499 11.491) 17.045 17.246 ( -4.490 2.855 -4.247) 6.808 17.246 ( -4.490 2.855 4.247) 6.808 17.743 ( -12.795 0.976 -8.706) 15.507 17.743 ( -12.795 0.976 8.706) 15.507 18.244 ( 4.602 -3.755 -7.846) 9.841 18.244 ( 4.602 -3.755 7.846) 9.841 19.102 ( 2.367 -1.921 -2.339) 3.843 19.102 ( 2.367 -1.921 2.339) 3.843 19.641 ( -11.056 -6.664 -3.435) 13.359 19.641 ( -11.056 -6.664 3.435) 13.359 20.790 ( -6.851 0.542 -2.750) 7.403 20.790 ( -6.851 0.542 2.750) 7.403 20.922 ( 3.065 1.095 -2.503) 4.106 20.922 ( 3.065 1.095 2.503) 4.106 21.857 ( 13.036 0.311 -2.217) 13.227 21.857 ( 13.036 0.311 2.217) 13.227 22.101 ( -3.954 -0.882 -4.663) 6.177 22.101 ( -3.954 -0.882 4.663) 6.177 22.711 ( 8.839 1.248 -17.135) 19.321 22.711 ( 8.839 1.248 17.135) 19.321 24.080 ( -2.345 0.122 -1.666) 2.880 24.080 ( -2.345 0.122 1.666) 2.880 24.842 ( 12.592 0.301 -5.232) 13.639 24.842 ( 12.592 0.301 5.232) 13.639 44.940 ( -1.784 0.996 -6.146) 6.477 44.940 ( -1.784 0.996 6.146) 6.477 45.254 ( 3.030 -0.170 -4.352) 5.305 45.254 ( 3.030 -0.170 4.352) 5.305 45.617 ( -4.604 -0.431 -0.994) 4.729 45.617 ( -4.604 -0.431 0.994) 4.729 47.362 ( -7.495 -1.415 -5.244) 9.256 47.362 ( -7.495 -1.415 5.244) 9.256 47.858 ( 6.983 2.068 -8.095) 10.889 47.858 ( 6.983 2.068 8.095) 10.889 94.769 ( -6.988 -1.423 -4.168) 8.260 94.769 ( -6.988 -1.423 4.168) 8.260 95.274 ( 7.433 0.546 -5.052) 9.004 95.274 ( 7.433 0.546 5.052) 9.004 95.555 ( -7.029 0.290 -4.028) 8.107 95.555 ( -7.029 0.290 4.028) 8.107 95.949 ( 4.112 0.521 -4.684) 6.254 95.949 ( 4.112 0.521 4.684) 6.254 96.564 ( -0.406 0.363 -2.114) 2.183 96.564 ( -0.406 0.363 2.114) 2.183 97.058 ( -0.698 0.941 -3.948) 4.118 97.058 ( -0.698 0.941 3.948) 4.118 97.425 ( 6.173 -2.628 -3.951) 7.786 97.425 ( 6.173 -2.628 3.951) 7.786 99.645 ( 1.915 -2.032 -13.131) 13.425 99.645 ( 1.915 -2.032 13.131) 13.425 100.884 ( 13.520 0.820 -3.446) 13.977 100.884 ( 13.520 0.820 3.446) 13.977 104.067 ( -19.956 -3.997 -1.761) 20.429 104.067 ( -19.956 -3.997 1.761) 20.429 ======================= Grid point 285 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -1.368 13.824 -12.277) 18.539 1.754 ( -1.368 13.824 12.277) 18.539 2.286 ( -5.579 6.828 -7.347) 11.477 2.286 ( -5.579 6.828 7.347) 11.477 2.554 ( -2.800 1.533 -2.165) 3.857 2.554 ( -2.800 1.533 2.165) 3.857 2.865 ( -2.516 2.465 -2.959) 4.601 2.865 ( -2.516 2.465 2.959) 4.601 3.114 ( -4.845 -6.806 -4.315) 9.403 3.114 ( -4.845 -6.806 4.315) 9.403 3.579 ( 8.330 2.488 -5.526) 10.302 3.579 ( 8.330 2.488 5.526) 10.302 3.907 ( -8.141 3.825 -17.595) 19.761 3.907 ( -8.141 3.825 17.595) 19.761 4.088 ( -2.045 1.499 -7.420) 7.842 4.088 ( -2.045 1.499 7.420) 7.842 4.535 ( -5.598 1.685 -13.705) 14.900 4.535 ( -5.598 1.685 13.705) 14.900 4.808 ( 2.290 -4.639 -2.057) 5.567 4.808 ( 2.290 -4.639 2.057) 5.567 5.060 ( -4.735 0.269 -6.669) 8.183 5.060 ( -4.735 0.269 6.669) 8.183 5.223 ( 5.093 -3.743 -0.276) 6.326 5.223 ( 5.093 -3.743 0.276) 6.326 5.475 ( 0.086 -6.984 -12.646) 14.446 5.475 ( 0.086 -6.984 12.646) 14.446 5.830 ( -4.826 -0.591 -1.411) 5.062 5.830 ( -4.826 -0.591 1.411) 5.062 6.318 ( -5.654 -0.753 -2.721) 6.320 6.318 ( -5.654 -0.753 2.721) 6.320 6.503 ( -12.354 -7.857 -2.148) 14.798 6.503 ( -12.354 -7.857 2.148) 14.798 6.699 ( 1.405 2.131 -2.295) 3.433 6.699 ( 1.405 2.131 2.295) 3.433 7.146 ( 5.111 -0.670 -1.899) 5.493 7.146 ( 5.111 -0.670 1.899) 5.493 7.313 ( 8.580 2.934 -0.727) 9.097 7.313 ( 8.580 2.934 0.727) 9.097 7.827 ( 5.266 0.317 -3.449) 6.303 7.827 ( 5.266 0.317 3.449) 6.303 8.163 ( 4.042 2.630 -3.735) 6.100 8.163 ( 4.042 2.630 3.735) 6.100 8.366 ( 1.044 -0.553 -0.146) 1.191 8.366 ( 1.044 -0.553 0.146) 1.191 8.521 ( -7.047 -0.205 -0.856) 7.102 8.521 ( -7.047 -0.205 0.856) 7.102 8.825 ( 10.017 3.198 -5.624) 11.924 8.825 ( 10.017 3.198 5.624) 11.924 14.369 ( 9.524 -1.258 -1.761) 9.767 14.369 ( 9.524 -1.258 1.761) 9.767 14.606 ( 4.279 1.110 -3.176) 5.443 14.606 ( 4.279 1.110 3.176) 5.443 16.831 ( -11.968 -1.102 -10.841) 16.186 16.831 ( -11.968 -1.102 10.841) 16.186 17.121 ( -5.860 3.765 -5.734) 9.022 17.121 ( -5.860 3.765 5.734) 9.022 17.461 ( -17.910 0.004 -6.081) 18.914 17.461 ( -17.910 0.004 6.081) 18.914 18.383 ( 6.767 -5.375 -10.353) 13.486 18.383 ( 6.767 -5.375 10.353) 13.486 19.133 ( -3.021 -2.637 -1.981) 4.472 19.133 ( -3.021 -2.637 1.981) 4.472 19.531 ( -7.553 -7.626 -8.088) 13.440 19.531 ( -7.553 -7.626 8.088) 13.440 20.679 ( -4.723 0.658 -2.641) 5.451 20.679 ( -4.723 0.658 2.641) 5.451 20.961 ( 2.317 0.572 -1.244) 2.692 20.961 ( 2.317 0.572 1.244) 2.692 21.971 ( -2.100 -1.793 -4.668) 5.424 21.971 ( -2.100 -1.793 4.668) 5.424 22.184 ( 14.027 1.208 -3.405) 14.484 22.184 ( 14.027 1.208 3.405) 14.484 22.835 ( 6.145 1.477 -17.618) 18.718 22.835 ( 6.145 1.477 17.618) 18.718 24.032 ( -2.824 0.061 -2.695) 3.904 24.032 ( -2.824 0.061 2.695) 3.904 25.075 ( 13.304 0.260 -6.552) 14.832 25.075 ( 13.304 0.260 6.552) 14.832 44.906 ( -0.848 1.244 -8.387) 8.521 44.906 ( -0.848 1.244 8.387) 8.521 45.294 ( 1.135 0.371 -3.580) 3.773 45.294 ( 1.135 0.371 3.580) 3.773 45.541 ( -4.213 -1.016 -2.871) 5.198 45.541 ( -4.213 -1.016 2.871) 5.198 47.255 ( -5.966 -1.398 -5.003) 7.911 47.255 ( -5.966 -1.398 5.003) 7.911 47.945 ( 5.160 2.434 -8.922) 10.590 47.945 ( 5.160 2.434 8.922) 10.590 94.675 ( -5.133 -1.542 -3.638) 6.478 94.675 ( -5.133 -1.542 3.638) 6.478 95.361 ( -0.766 0.864 -2.974) 3.190 95.361 ( -0.766 0.864 2.974) 3.190 95.453 ( -0.515 -0.564 -1.739) 1.899 95.453 ( -0.515 -0.564 1.739) 1.899 96.011 ( 3.670 0.958 -5.898) 7.012 96.011 ( 3.670 0.958 5.898) 7.012 96.550 ( -0.756 0.469 -2.864) 2.999 96.550 ( -0.756 0.469 2.864) 2.999 97.043 ( -0.175 0.620 -5.896) 5.931 97.043 ( -0.175 0.620 5.896) 5.931 97.571 ( 6.760 -3.160 -8.205) 11.091 97.571 ( 6.760 -3.160 8.205) 11.091 99.737 ( 4.942 -5.243 -17.183) 18.633 99.737 ( 4.942 -5.243 17.183) 18.633 101.185 ( 22.083 1.152 -5.030) 22.678 101.185 ( 22.083 1.152 5.030) 22.678 103.674 ( -29.804 -5.624 -2.326) 30.419 103.674 ( -29.804 -5.624 2.326) 30.419 ======================= Grid point 287 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 7.347 14.636 -4.778) 17.059 1.670 ( 7.347 14.636 4.778) 17.059 2.074 ( -11.397 7.506 -2.792) 13.929 2.074 ( -11.397 7.506 2.792) 13.929 2.488 ( -3.869 0.853 -4.317) 5.859 2.488 ( -3.869 0.853 4.317) 5.859 2.847 ( 1.653 -2.270 -3.480) 4.471 2.847 ( 1.653 -2.270 3.480) 4.471 3.081 ( -3.805 -3.508 -6.417) 8.244 3.081 ( -3.805 -3.508 6.417) 8.244 3.625 ( -6.321 2.704 -17.441) 18.747 3.625 ( -6.321 2.704 17.441) 18.747 3.770 ( 6.032 6.586 -8.635) 12.423 3.770 ( 6.032 6.586 8.635) 12.423 4.097 ( 0.043 -0.205 -5.651) 5.655 4.097 ( 0.043 -0.205 5.651) 5.655 4.423 ( -4.624 -0.549 -10.762) 11.726 4.423 ( -4.624 -0.549 10.762) 11.726 4.846 ( -0.542 -0.857 -3.007) 3.173 4.846 ( -0.542 -0.857 3.007) 3.173 4.957 ( -5.273 0.757 -8.219) 9.794 4.957 ( -5.273 0.757 8.219) 9.794 5.351 ( 5.828 -1.905 -1.071) 6.224 5.351 ( 5.828 -1.905 1.071) 6.224 5.570 ( -0.948 -7.298 -9.607) 12.101 5.570 ( -0.948 -7.298 9.607) 12.101 5.788 ( 2.087 -0.724 -5.491) 5.919 5.788 ( 2.087 -0.724 5.491) 5.919 6.222 ( -6.079 -4.099 -6.332) 9.688 6.222 ( -6.079 -4.099 6.332) 9.688 6.392 ( -8.124 -6.475 -4.189) 11.202 6.392 ( -8.124 -6.475 4.189) 11.202 6.702 ( 0.440 0.834 -1.544) 1.809 6.702 ( 0.440 0.834 1.544) 1.809 7.207 ( 1.563 -0.553 -4.695) 4.979 7.207 ( 1.563 -0.553 4.695) 4.979 7.458 ( 10.710 4.669 -1.461) 11.774 7.458 ( 10.710 4.669 1.461) 11.774 7.897 ( 1.562 -0.486 -3.613) 3.966 7.897 ( 1.562 -0.486 3.613) 3.966 8.142 ( -1.614 3.130 -1.212) 3.724 8.142 ( -1.614 3.130 1.212) 3.724 8.365 ( -4.817 -0.173 -1.214) 4.971 8.365 ( -4.817 -0.173 1.214) 4.971 8.466 ( 2.979 -0.713 -2.521) 3.967 8.466 ( 2.979 -0.713 2.521) 3.967 8.946 ( 6.185 2.718 -5.944) 8.998 8.946 ( 6.185 2.718 5.944) 8.998 14.366 ( -4.773 -0.999 -3.921) 6.258 14.366 ( -4.773 -0.999 3.921) 6.258 14.873 ( 19.377 0.558 -4.558) 19.913 14.873 ( 19.377 0.558 4.558) 19.913 16.668 ( -7.668 -1.810 -5.587) 9.659 16.668 ( -7.668 -1.810 5.587) 9.659 16.977 ( -7.524 2.661 -1.582) 8.136 16.977 ( -7.524 2.661 1.582) 8.136 17.177 ( -12.092 0.225 -5.627) 13.339 17.177 ( -12.092 0.225 5.627) 13.339 18.579 ( 10.039 -5.744 -8.132) 14.139 18.579 ( 10.039 -5.744 8.132) 14.139 19.023 ( -12.009 -4.194 -2.912) 13.049 19.023 ( -12.009 -4.194 2.912) 13.049 19.517 ( -1.669 -5.164 -12.435) 13.567 19.517 ( -1.669 -5.164 12.435) 13.567 20.618 ( -1.705 0.736 -1.666) 2.495 20.618 ( -1.705 0.736 1.666) 2.495 20.997 ( 1.817 -0.493 -2.277) 2.955 20.997 ( 1.817 -0.493 2.277) 2.955 21.937 ( -2.566 -1.605 -10.387) 10.819 21.937 ( -2.566 -1.605 10.387) 10.819 22.415 ( 11.771 1.195 -1.643) 11.945 22.415 ( 11.771 1.195 1.643) 11.945 22.887 ( 1.305 1.486 -16.379) 16.498 22.887 ( 1.305 1.486 16.379) 16.498 23.989 ( -1.888 -0.045 -3.007) 3.551 23.989 ( -1.888 -0.045 3.007) 3.551 25.270 ( 8.414 0.025 -6.625) 10.709 25.270 ( 8.414 0.025 6.625) 10.709 44.889 ( 0.103 1.247 -10.131) 10.208 44.889 ( 0.103 1.247 10.131) 10.208 45.282 ( -1.492 0.614 -2.645) 3.098 45.282 ( -1.492 0.614 2.645) 3.098 45.504 ( -1.211 -1.200 -4.966) 5.250 45.504 ( -1.211 -1.200 4.966) 5.250 47.184 ( -3.290 -1.221 -4.798) 5.945 47.184 ( -3.290 -1.221 4.798) 5.945 47.993 ( 2.672 2.360 -9.345) 10.002 47.993 ( 2.672 2.360 9.345) 10.002 94.619 ( -2.689 -1.386 -3.237) 4.430 94.619 ( -2.689 -1.386 3.237) 4.430 95.266 ( -4.757 1.693 -2.829) 5.788 95.266 ( -4.757 1.693 2.829) 5.788 95.524 ( 3.500 -2.074 -5.881) 7.151 95.524 ( 3.500 -2.074 5.881) 7.151 96.056 ( 2.296 0.979 -5.607) 6.138 96.056 ( 2.296 0.979 5.607) 6.138 96.533 ( -0.637 0.427 -3.366) 3.452 96.533 ( -0.637 0.427 3.366) 3.452 97.040 ( 0.178 0.189 -7.302) 7.307 97.040 ( 0.178 0.189 7.302) 7.307 97.696 ( 4.128 -2.581 -12.374) 13.298 97.696 ( 4.128 -2.581 12.374) 13.298 99.898 ( 5.512 -8.483 -14.754) 17.889 99.898 ( 5.512 -8.483 14.754) 17.889 101.646 ( 31.042 -0.434 -10.024) 32.623 101.646 ( 31.042 -0.434 10.024) 32.623 103.132 ( -36.584 -4.412 -2.363) 36.924 103.132 ( -36.584 -4.412 2.363) 36.924 ======================= Grid point 289 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 15.087 -26.645) 30.620 1.709 ( 0.000 15.087 26.645) 30.620 1.820 ( 0.000 2.613 -24.737) 24.875 1.820 ( 0.000 2.613 24.737) 24.875 2.436 ( 0.000 1.120 -4.613) 4.747 2.436 ( 0.000 1.120 4.613) 4.747 2.913 ( -0.000 -3.958 -6.154) 7.317 2.913 ( -0.000 -3.958 6.154) 7.317 3.064 ( -0.000 -1.623 -8.788) 8.937 3.064 ( -0.000 -1.623 8.788) 8.937 3.520 ( 0.000 1.697 -22.624) 22.687 3.520 ( 0.000 1.697 22.624) 22.687 3.790 ( 0.000 7.167 -0.755) 7.206 3.790 ( 0.000 7.167 0.755) 7.206 4.091 ( -0.000 -1.343 -7.284) 7.407 4.091 ( -0.000 -1.343 7.284) 7.407 4.403 ( -0.000 -1.563 -8.558) 8.700 4.403 ( -0.000 -1.563 8.558) 8.700 4.833 ( 0.000 0.166 -4.926) 4.928 4.833 ( 0.000 0.166 4.926) 4.928 4.897 ( 0.000 1.244 -13.857) 13.913 4.897 ( 0.000 1.244 13.857) 13.913 5.432 ( -0.000 -1.556 -2.747) 3.157 5.432 ( -0.000 -1.556 2.747) 3.157 5.567 ( -0.000 -2.580 -3.034) 3.983 5.567 ( -0.000 -2.580 3.034) 3.983 5.857 ( -0.000 -1.617 -8.392) 8.546 5.857 ( -0.000 -1.617 8.392) 8.546 6.228 ( -0.000 -7.738 -9.749) 12.447 6.228 ( -0.000 -7.738 9.749) 12.447 6.339 ( -0.000 -1.967 -2.272) 3.005 6.339 ( -0.000 -1.967 2.272) 3.005 6.705 ( -0.000 -0.384 -2.418) 2.448 6.705 ( -0.000 -0.384 2.418) 2.448 7.221 ( 0.000 0.324 -7.121) 7.128 7.221 ( 0.000 0.324 7.121) 7.128 7.532 ( 0.000 4.443 -2.667) 5.182 7.532 ( 0.000 4.443 2.667) 5.182 7.901 ( -0.000 -0.960 -2.854) 3.011 7.901 ( -0.000 -0.960 2.854) 3.011 8.099 ( 0.000 2.319 -1.653) 2.848 8.099 ( 0.000 2.319 1.653) 2.848 8.314 ( 0.000 0.139 -4.009) 4.012 8.314 ( 0.000 0.139 4.009) 4.012 8.512 ( -0.000 -0.972 -3.990) 4.107 8.512 ( -0.000 -0.972 3.990) 4.107 8.980 ( 0.000 2.186 -4.847) 5.317 8.980 ( 0.000 2.186 4.847) 5.317 14.323 ( -0.000 -0.549 -3.604) 3.646 14.323 ( -0.000 -0.549 3.604) 3.646 15.074 ( 0.000 0.098 -6.161) 6.162 15.074 ( 0.000 0.098 6.161) 6.162 16.613 ( -0.000 -2.052 -7.705) 7.974 16.613 ( -0.000 -2.052 7.705) 7.974 16.869 ( 0.000 1.263 -2.341) 2.660 16.869 ( 0.000 1.263 2.341) 2.660 17.070 ( 0.000 1.000 -13.385) 13.422 17.070 ( 0.000 1.000 13.385) 13.422 18.818 ( 0.000 0.391 -6.031) 6.044 18.818 ( 0.000 0.391 6.031) 6.044 18.846 ( -0.000 -9.127 -10.675) 14.045 18.846 ( -0.000 -9.127 10.675) 14.045 19.539 ( -0.000 -3.043 -13.002) 13.353 19.539 ( -0.000 -3.043 13.002) 13.353 20.598 ( 0.000 0.687 -1.232) 1.411 20.598 ( 0.000 0.687 1.232) 1.411 21.023 ( -0.000 -0.826 -4.159) 4.240 21.023 ( -0.000 -0.826 4.159) 4.240 21.925 ( -0.000 -1.299 -12.398) 12.466 21.925 ( -0.000 -1.299 12.398) 12.466 22.522 ( 0.000 0.842 -1.154) 1.429 22.522 ( 0.000 0.842 1.154) 1.429 22.877 ( 0.000 1.218 -15.620) 15.667 22.877 ( 0.000 1.218 15.620) 15.667 23.972 ( -0.000 -0.074 -2.951) 2.952 23.972 ( -0.000 -0.074 2.951) 2.952 25.347 ( -0.000 -0.084 -6.518) 6.518 25.347 ( -0.000 -0.084 6.518) 6.518 44.881 ( 0.000 0.979 -10.944) 10.988 44.881 ( 0.000 0.979 10.944) 10.988 45.259 ( 0.000 0.407 -2.832) 2.861 45.259 ( 0.000 0.407 2.832) 2.861 45.505 ( -0.000 -0.867 -5.509) 5.577 45.505 ( -0.000 -0.867 5.509) 5.577 47.164 ( -0.000 -0.901 -4.736) 4.821 47.164 ( -0.000 -0.901 4.736) 4.821 47.997 ( 0.000 1.819 -9.412) 9.586 47.997 ( 0.000 1.819 9.412) 9.586 94.606 ( -0.000 -1.058 -2.990) 3.171 94.606 ( -0.000 -1.058 2.990) 3.171 95.207 ( 0.000 1.432 -2.734) 3.086 95.207 ( 0.000 1.432 2.734) 3.086 95.576 ( -0.000 -2.023 -6.467) 6.776 95.576 ( -0.000 -2.023 6.467) 6.776 96.069 ( 0.000 0.778 -4.121) 4.194 96.069 ( 0.000 0.778 4.121) 4.194 96.523 ( 0.000 0.310 -3.476) 3.490 96.523 ( 0.000 0.310 3.476) 3.490 97.042 ( 0.000 0.031 -7.862) 7.862 97.042 ( 0.000 0.031 7.862) 7.862 97.752 ( -0.000 -1.651 -14.454) 14.548 97.752 ( -0.000 -1.651 14.454) 14.548 100.032 ( -0.000 -8.111 -9.521) 12.507 100.032 ( -0.000 -8.111 9.521) 12.507 102.127 ( -0.000 -4.406 -14.945) 15.581 102.127 ( -0.000 -4.406 14.945) 15.581 102.643 ( -0.000 -0.160 -0.047) 0.166 102.643 ( -0.000 -0.160 0.047) 0.166 ======================= Grid point 295 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 13.431 0.000 -1.162) 13.481 1.895 ( 13.431 0.000 1.162) 13.481 2.393 ( 9.142 0.000 -0.133) 9.143 2.393 ( 9.142 0.000 0.133) 9.143 2.557 ( 3.361 0.000 -6.819) 7.602 2.557 ( 3.361 0.000 6.819) 7.602 2.861 ( 0.600 0.000 -3.096) 3.154 2.861 ( 0.600 0.000 3.096) 3.154 3.228 ( -11.615 -0.000 -13.139) 17.537 3.228 ( -11.615 -0.000 13.139) 17.537 3.454 ( 3.416 0.000 -3.403) 4.822 3.454 ( 3.416 0.000 3.403) 4.822 4.024 ( 1.755 0.000 -1.077) 2.059 4.024 ( 1.755 0.000 1.077) 2.059 4.199 ( 5.418 0.000 -6.387) 8.376 4.199 ( 5.418 0.000 6.387) 8.376 4.535 ( -6.344 -0.000 -9.558) 11.472 4.535 ( -6.344 -0.000 9.558) 11.472 4.895 ( 5.030 0.000 -9.515) 10.762 4.895 ( 5.030 0.000 9.515) 10.762 5.032 ( -4.279 -0.000 -4.943) 6.537 5.032 ( -4.279 -0.000 4.943) 6.537 5.297 ( -1.350 -0.000 -12.396) 12.469 5.297 ( -1.350 -0.000 12.396) 12.469 5.641 ( 0.374 0.000 -11.613) 11.619 5.641 ( 0.374 0.000 11.613) 11.619 6.069 ( 1.933 0.000 -9.293) 9.491 6.069 ( 1.933 0.000 9.293) 9.491 6.374 ( -7.721 -0.000 -4.436) 8.904 6.374 ( -7.721 -0.000 4.436) 8.904 6.548 ( 7.624 0.000 -2.717) 8.093 6.548 ( 7.624 0.000 2.717) 8.093 6.810 ( -4.000 -0.000 -4.605) 6.100 6.810 ( -4.000 -0.000 4.605) 6.100 6.918 ( -0.640 -0.000 -2.800) 2.872 6.918 ( -0.640 -0.000 2.800) 2.872 7.301 ( 0.852 0.000 -2.310) 2.462 7.301 ( 0.852 0.000 2.310) 2.462 7.654 ( -0.167 -0.000 -1.058) 1.071 7.654 ( -0.167 -0.000 1.058) 1.071 7.942 ( -3.237 -0.000 -3.062) 4.456 7.942 ( -3.237 -0.000 3.062) 4.456 8.401 ( 1.393 0.000 -4.343) 4.561 8.401 ( 1.393 0.000 4.343) 4.561 8.437 ( -3.706 -0.000 -2.217) 4.318 8.437 ( -3.706 -0.000 2.217) 4.318 8.735 ( 3.229 0.000 -0.887) 3.348 8.735 ( 3.229 0.000 0.887) 3.348 13.960 ( -4.411 -0.000 -0.447) 4.433 13.960 ( -4.411 -0.000 0.447) 4.433 14.712 ( 1.453 0.000 -5.453) 5.643 14.712 ( 1.453 0.000 5.453) 5.643 17.237 ( 5.289 0.000 -11.212) 12.397 17.237 ( 5.289 0.000 11.212) 12.397 17.248 ( 4.891 0.000 -1.702) 5.179 17.248 ( 4.891 0.000 1.702) 5.179 17.863 ( 5.688 0.000 -8.045) 9.853 17.863 ( 5.688 0.000 8.045) 9.853 18.274 ( -6.738 -0.000 -2.304) 7.121 18.274 ( -6.738 -0.000 2.304) 7.121 19.102 ( -3.061 -0.000 -1.368) 3.352 19.102 ( -3.061 -0.000 1.368) 3.352 19.812 ( -2.872 -0.000 -2.650) 3.908 19.812 ( -2.872 -0.000 2.650) 3.908 20.829 ( 2.622 0.000 -6.067) 6.610 20.829 ( 2.622 0.000 6.067) 6.610 20.933 ( 1.610 0.000 -5.500) 5.731 20.933 ( 1.610 0.000 5.500) 5.731 21.671 ( -5.852 -0.000 -1.028) 5.941 21.671 ( -5.852 -0.000 1.028) 5.941 22.216 ( 2.358 0.000 -1.263) 2.675 22.216 ( 2.358 0.000 1.263) 2.675 22.548 ( -3.902 -0.000 -6.270) 7.385 22.548 ( -3.902 -0.000 6.270) 7.385 24.108 ( 1.057 0.000 -1.249) 1.636 24.108 ( 1.057 0.000 1.249) 1.636 24.671 ( -4.886 -0.000 -2.944) 5.704 24.671 ( -4.886 -0.000 2.944) 5.704 44.954 ( 2.371 0.000 -4.434) 5.028 44.954 ( 2.371 0.000 4.434) 5.028 45.214 ( -2.026 -0.000 -1.822) 2.725 45.214 ( -2.026 -0.000 1.822) 2.725 45.683 ( 1.380 0.000 -0.932) 1.666 45.683 ( 1.380 0.000 0.932) 1.666 47.514 ( 3.295 0.000 -2.210) 3.967 47.514 ( 3.295 0.000 2.210) 3.967 47.703 ( -2.373 -0.000 -2.199) 3.235 47.703 ( -2.373 -0.000 2.199) 3.235 94.933 ( 4.009 0.000 -0.280) 4.019 94.933 ( 4.009 0.000 0.280) 4.019 95.123 ( -5.336 -0.000 -3.543) 6.405 95.123 ( -5.336 -0.000 3.543) 6.405 95.649 ( 4.315 0.000 -2.974) 5.241 95.649 ( 4.315 0.000 2.974) 5.241 95.863 ( -2.015 -0.000 -2.680) 3.353 95.863 ( -2.015 -0.000 2.680) 3.353 96.562 ( 0.527 0.000 -0.005) 0.527 96.562 ( 0.527 0.000 0.005) 0.527 97.052 ( 1.557 0.000 -2.227) 2.717 97.052 ( 1.557 0.000 2.227) 2.717 97.387 ( -5.423 -0.000 -4.062) 6.776 97.387 ( -5.423 -0.000 4.062) 6.776 99.647 ( -2.626 -0.000 -5.376) 5.983 99.647 ( -2.626 -0.000 5.376) 5.983 100.718 ( -3.746 -0.000 -3.829) 5.356 100.718 ( -3.746 -0.000 3.829) 5.356 104.364 ( 2.079 0.000 -1.776) 2.734 104.364 ( 2.079 0.000 1.776) 2.734 ======================= Grid point 297 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.119 0.608 -11.242) 11.456 2.022 ( 2.119 0.608 11.242) 11.456 2.593 ( 10.084 2.569 -4.171) 11.210 2.593 ( 10.084 2.569 4.171) 11.210 2.653 ( 7.840 1.619 -6.084) 10.055 2.653 ( 7.840 1.619 6.084) 10.055 2.854 ( 0.713 1.782 -5.424) 5.754 2.854 ( 0.713 1.782 5.424) 5.754 3.039 ( -10.498 -4.690 -12.142) 16.723 3.039 ( -10.498 -4.690 12.142) 16.723 3.496 ( 2.390 1.201 -2.820) 3.887 3.496 ( 2.390 1.201 2.820) 3.887 3.995 ( -5.150 -0.339 -3.247) 6.097 3.995 ( -5.150 -0.339 3.247) 6.097 4.294 ( 3.863 -2.600 -3.953) 6.108 4.294 ( 3.863 -2.600 3.953) 6.108 4.465 ( -0.065 -0.323 -2.876) 2.895 4.465 ( -0.065 -0.323 2.876) 2.895 4.876 ( -6.890 3.086 -1.226) 7.649 4.876 ( -6.890 3.086 1.226) 7.649 5.018 ( 3.158 0.418 -2.360) 3.964 5.018 ( 3.158 0.418 2.360) 3.964 5.231 ( -6.295 -1.690 -13.095) 14.627 5.231 ( -6.295 -1.690 13.095) 14.627 5.588 ( -6.438 -0.606 -14.149) 15.557 5.588 ( -6.438 -0.606 14.149) 15.557 6.019 ( -5.888 1.640 -2.618) 6.649 6.019 ( -5.888 1.640 2.618) 6.649 6.322 ( 1.664 -0.163 -7.732) 7.911 6.322 ( 1.664 -0.163 7.732) 7.911 6.658 ( 0.028 -0.256 -2.722) 2.734 6.658 ( 0.028 -0.256 2.722) 2.734 6.789 ( 4.210 -1.147 -2.693) 5.128 6.789 ( 4.210 -1.147 2.693) 5.128 6.891 ( -2.581 -1.068 -7.416) 7.925 6.891 ( -2.581 -1.068 7.416) 7.925 7.271 ( -3.295 0.847 -2.229) 4.068 7.271 ( -3.295 0.847 2.229) 4.068 7.684 ( 3.553 0.023 -0.408) 3.577 7.684 ( 3.553 0.023 0.408) 3.577 7.947 ( 3.965 0.083 -1.286) 4.169 7.947 ( 3.965 0.083 1.286) 4.169 8.413 ( 0.354 0.496 -3.947) 3.994 8.413 ( 0.354 0.496 3.947) 3.994 8.457 ( 4.532 -0.687 -2.849) 5.397 8.457 ( 4.532 -0.687 2.849) 5.397 8.763 ( 0.581 0.586 -0.294) 0.876 8.763 ( 0.581 0.586 0.294) 0.876 13.965 ( 4.964 0.039 -0.994) 5.063 13.965 ( 4.964 0.039 0.994) 5.063 14.707 ( -1.894 -0.017 -4.684) 5.052 14.707 ( -1.894 -0.017 4.684) 5.052 17.224 ( -6.738 0.136 -8.523) 10.866 17.224 ( -6.738 0.136 8.523) 10.866 17.307 ( 1.589 -0.015 -7.614) 7.778 17.307 ( 1.589 -0.015 7.614) 7.778 17.908 ( -2.471 -0.079 -2.832) 3.759 17.908 ( -2.471 -0.079 2.832) 3.759 18.177 ( -2.131 0.707 -1.940) 2.967 18.177 ( -2.131 0.707 1.940) 2.967 19.059 ( -1.430 -0.280 -0.647) 1.594 19.059 ( -1.430 -0.280 0.647) 1.594 19.704 ( -9.937 -2.096 -3.308) 10.681 19.704 ( -9.937 -2.096 3.308) 10.681 20.869 ( 1.066 -0.151 -3.373) 3.541 20.869 ( 1.066 -0.151 3.373) 3.541 20.924 ( -1.791 0.706 -6.872) 7.137 20.924 ( -1.791 0.706 6.872) 7.137 21.679 ( 6.862 0.318 -1.710) 7.079 21.679 ( 6.862 0.318 1.710) 7.079 22.179 ( -5.535 -0.173 -7.888) 9.638 22.179 ( -5.535 -0.173 7.888) 9.638 22.583 ( 7.024 0.211 -12.273) 14.143 22.583 ( 7.024 0.211 12.273) 14.143 24.111 ( -0.776 0.032 -0.307) 0.835 24.111 ( -0.776 0.032 0.307) 0.835 24.678 ( 5.651 0.042 -1.401) 5.822 24.678 ( 5.651 0.042 1.401) 5.822 44.977 ( -0.073 0.124 -1.051) 1.061 44.977 ( -0.073 0.124 1.051) 1.061 45.205 ( 1.249 -0.065 -2.280) 2.601 45.205 ( 1.249 -0.065 2.280) 2.601 45.676 ( -2.189 0.023 -0.413) 2.228 45.676 ( -2.189 0.023 0.413) 2.228 47.464 ( -6.877 -0.480 -4.824) 8.414 47.464 ( -6.877 -0.480 4.824) 8.414 47.765 ( 7.288 0.525 -6.681) 9.901 47.765 ( 7.288 0.525 6.681) 9.901 94.877 ( -7.555 -0.221 -5.021) 9.074 94.877 ( -7.555 -0.221 5.021) 9.074 95.162 ( 7.012 0.381 -2.630) 7.498 95.162 ( 7.012 0.381 2.630) 7.498 95.654 ( -3.618 -0.117 -5.041) 6.206 95.654 ( -3.618 -0.117 5.041) 6.206 95.878 ( 3.370 -0.254 -3.198) 4.652 95.878 ( 3.370 -0.254 3.198) 4.652 96.570 ( 0.295 0.015 -1.488) 1.517 96.570 ( 0.295 0.015 1.488) 1.517 97.078 ( 0.897 0.111 -0.845) 1.238 97.078 ( 0.897 0.111 0.845) 1.238 97.331 ( -0.331 -0.160 -1.570) 1.612 97.331 ( -0.331 -0.160 1.570) 1.612 99.619 ( -0.843 -0.072 -4.239) 4.323 99.619 ( -0.843 -0.072 4.239) 4.323 100.730 ( 5.209 0.116 -3.495) 6.274 100.730 ( 5.209 0.116 3.495) 6.274 104.285 ( -10.777 -0.352 -1.838) 10.938 104.285 ( -10.777 -0.352 1.838) 10.938 ======================= Grid point 299 (91/100) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.403 3.674 -16.384) 16.796 2.010 ( -0.403 3.674 16.384) 16.796 2.580 ( -4.626 8.534 -5.208) 11.016 2.580 ( -4.626 8.534 5.208) 11.016 2.684 ( 0.916 4.178 -5.289) 6.802 2.684 ( 0.916 4.178 5.289) 6.802 2.942 ( 2.297 0.833 -7.074) 7.484 2.942 ( 2.297 0.833 7.074) 7.484 2.971 ( -1.380 -7.292 -8.795) 11.507 2.971 ( -1.380 -7.292 8.795) 11.507 3.534 ( 4.295 1.849 -5.489) 7.210 3.534 ( 4.295 1.849 5.489) 7.210 3.913 ( -3.071 -1.864 -1.905) 4.066 3.913 ( -3.071 -1.864 1.905) 4.066 4.353 ( -2.808 -0.311 -8.082) 8.561 4.353 ( -2.808 -0.311 8.082) 8.561 4.502 ( 4.269 -0.022 -6.745) 7.982 4.502 ( 4.269 -0.022 6.745) 7.982 4.720 ( -6.251 0.463 -6.488) 9.021 4.720 ( -6.251 0.463 6.488) 9.021 5.051 ( -0.464 -2.538 -5.981) 6.514 5.051 ( -0.464 -2.538 5.981) 6.514 5.144 ( -3.794 -0.850 -11.680) 12.310 5.144 ( -3.794 -0.850 11.680) 12.310 5.463 ( -7.831 -1.589 -14.381) 16.451 5.463 ( -7.831 -1.589 14.381) 16.451 5.906 ( -4.994 0.920 -1.829) 5.397 5.906 ( -4.994 0.920 1.829) 5.397 6.352 ( -0.381 -0.663 -4.286) 4.353 6.352 ( -0.381 -0.663 4.286) 4.353 6.564 ( -11.167 -3.575 -2.111) 11.914 6.564 ( -11.167 -3.575 2.111) 11.914 6.778 ( -4.117 1.446 -7.364) 8.559 6.778 ( -4.117 1.446 7.364) 8.559 6.983 ( 8.756 -1.865 -1.376) 9.057 6.983 ( 8.756 -1.865 1.376) 9.057 7.256 ( 4.143 1.590 -0.815) 4.511 7.256 ( 4.143 1.590 0.815) 4.511 7.754 ( 4.177 0.152 -1.397) 4.407 7.754 ( 4.177 0.152 1.397) 4.407 8.063 ( 8.681 0.327 -1.361) 8.793 8.063 ( 8.681 0.327 1.361) 8.793 8.398 ( -1.228 0.927 -2.221) 2.702 8.398 ( -1.228 0.927 2.221) 2.702 8.549 ( 2.193 -1.338 -0.827) 2.699 8.549 ( 2.193 -1.338 0.827) 2.699 8.774 ( 3.882 2.322 -3.132) 5.502 8.774 ( 3.882 2.322 3.132) 5.502 14.124 ( 12.665 0.048 -1.291) 12.731 14.124 ( 12.665 0.048 1.291) 12.731 14.653 ( -3.950 0.004 -3.896) 5.548 14.653 ( -3.950 0.004 3.896) 5.548 17.040 ( -12.994 -0.211 -12.043) 17.718 17.040 ( -12.994 -0.211 12.043) 17.718 17.287 ( -3.056 1.643 -2.037) 4.023 17.287 ( -3.056 1.643 2.037) 4.023 17.758 ( -13.286 0.675 -6.600) 14.850 17.758 ( -13.286 0.675 6.600) 14.850 18.195 ( 2.770 -1.608 -9.057) 9.606 18.195 ( 2.770 -1.608 9.057) 9.606 19.073 ( 1.966 -1.202 -1.700) 2.864 19.073 ( 1.966 -1.202 1.700) 2.864 19.528 ( -13.017 -5.291 -4.064) 14.627 19.528 ( -13.017 -5.291 4.064) 14.627 20.795 ( -6.747 0.119 -2.055) 7.054 20.795 ( -6.747 0.119 2.055) 7.054 20.944 ( 2.901 1.078 -3.348) 4.559 20.944 ( 2.901 1.078 3.348) 4.559 21.863 ( 12.097 0.278 -2.337) 12.324 21.863 ( 12.097 0.278 2.337) 12.324 22.090 ( -2.965 -0.359 -5.016) 5.838 22.090 ( -2.965 -0.359 5.016) 5.838 22.730 ( 9.111 0.790 -17.537) 19.778 22.730 ( 9.111 0.790 17.537) 19.778 24.082 ( -2.327 0.104 -1.197) 2.619 24.082 ( -2.327 0.104 1.197) 2.619 24.846 ( 12.624 0.170 -4.988) 13.574 24.846 ( 12.624 0.170 4.988) 13.574 44.955 ( -1.472 0.644 -5.620) 5.845 44.955 ( -1.472 0.644 5.620) 5.845 45.251 ( 3.292 -0.149 -4.907) 5.911 45.251 ( 3.292 -0.149 4.907) 5.911 45.612 ( -4.961 -0.194 -0.456) 4.986 45.612 ( -4.961 -0.194 0.456) 4.986 47.340 ( -7.499 -0.958 -5.127) 9.134 47.340 ( -7.499 -0.958 5.127) 9.134 47.890 ( 7.338 1.342 -8.497) 11.307 47.890 ( 7.338 1.342 8.497) 11.307 94.748 ( -7.117 -0.789 -4.717) 8.574 94.748 ( -7.117 -0.789 4.717) 8.574 95.284 ( 6.896 0.506 -3.544) 7.770 95.284 ( 6.896 0.506 3.544) 7.770 95.557 ( -6.765 0.025 -4.855) 8.327 95.557 ( -6.765 0.025 4.855) 8.327 95.953 ( 4.502 0.031 -5.795) 7.338 95.953 ( 4.502 0.031 5.795) 7.338 96.569 ( -0.265 0.200 -2.527) 2.549 96.569 ( -0.265 0.200 2.527) 2.549 97.074 ( -0.670 0.688 -3.748) 3.869 97.074 ( -0.670 0.688 3.748) 3.869 97.385 ( 5.054 -1.718 -1.916) 5.671 97.385 ( 5.054 -1.718 1.916) 5.671 99.618 ( 0.318 -1.017 -13.011) 13.054 99.618 ( 0.318 -1.017 13.011) 13.054 100.896 ( 13.985 0.539 -3.888) 14.526 100.896 ( 13.985 0.539 3.888) 14.526 104.010 ( -21.569 -2.270 -2.584) 21.841 104.010 ( -21.569 -2.270 2.584) 21.841 ======================= Grid point 301 (92/100) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.148 8.166 -19.342) 20.996 1.954 ( 0.148 8.166 19.342) 20.996 2.422 ( -4.323 7.761 -12.122) 15.029 2.422 ( -4.323 7.761 12.122) 15.029 2.602 ( -4.965 3.555 -4.092) 7.351 2.602 ( -4.965 3.555 4.092) 7.351 2.896 ( -6.352 -1.958 -7.168) 9.776 2.896 ( -6.352 -1.958 7.168) 9.776 3.006 ( -0.418 -1.858 -2.912) 3.479 3.006 ( -0.418 -1.858 2.912) 3.479 3.634 ( 9.141 3.326 -5.169) 11.016 3.634 ( 9.141 3.326 5.169) 11.016 3.929 ( 0.932 -1.586 -7.926) 8.137 3.929 ( 0.932 -1.586 7.926) 8.137 4.171 ( -8.619 7.657 -14.439) 18.477 4.171 ( -8.619 7.657 14.439) 18.477 4.554 ( -4.214 0.334 -7.988) 9.038 4.554 ( -4.214 0.334 7.988) 9.038 4.709 ( 3.753 -5.447 -1.438) 6.769 4.709 ( 3.753 -5.447 1.438) 6.769 5.034 ( -5.785 -5.311 -9.023) 11.962 5.034 ( -5.785 -5.311 9.023) 11.962 5.168 ( 6.443 -0.261 -8.350) 10.550 5.168 ( 6.443 -0.261 8.350) 10.550 5.381 ( -3.093 -3.577 -13.197) 14.019 5.381 ( -3.093 -3.577 13.197) 14.019 5.824 ( -4.214 0.038 -0.841) 4.298 5.824 ( -4.214 0.038 0.841) 4.298 6.286 ( -10.396 -3.427 -1.662) 11.072 6.286 ( -10.396 -3.427 1.662) 11.072 6.382 ( -10.313 -4.639 -1.740) 11.442 6.382 ( -10.313 -4.639 1.740) 11.442 6.735 ( 0.255 1.792 -4.123) 4.502 6.735 ( 0.255 1.792 4.123) 4.502 7.115 ( 4.066 -2.225 -0.744) 4.694 7.115 ( 4.066 -2.225 0.744) 4.694 7.375 ( 10.892 3.333 -1.006) 11.435 7.375 ( 10.892 3.333 1.006) 11.435 7.831 ( 4.636 0.066 -2.853) 5.444 7.831 ( 4.636 0.066 2.853) 5.444 8.199 ( 5.754 1.355 -2.522) 6.427 8.199 ( 5.754 1.355 2.522) 6.427 8.368 ( -0.306 0.632 -0.083) 0.707 8.368 ( -0.306 0.632 0.083) 0.707 8.511 ( -6.006 -0.798 -1.442) 6.228 8.511 ( -6.006 -0.798 1.442) 6.228 8.881 ( 9.338 2.860 -7.160) 12.110 8.881 ( 9.338 2.860 7.160) 12.110 14.348 ( 7.851 -0.944 -1.370) 8.025 14.348 ( 7.851 -0.944 1.370) 8.025 14.624 ( 5.710 0.882 -3.478) 6.744 14.624 ( 5.710 0.882 3.478) 6.744 16.814 ( -12.513 -0.763 -12.157) 17.463 16.814 ( -12.513 -0.763 12.157) 17.463 17.185 ( -5.823 3.103 -3.152) 7.312 17.185 ( -5.823 3.103 3.152) 7.312 17.464 ( -18.440 0.325 -3.309) 18.737 17.464 ( -18.440 0.325 3.309) 18.737 18.291 ( 5.065 -4.530 -13.875) 15.450 18.291 ( 5.065 -4.530 13.875) 15.450 19.092 ( -3.855 -1.813 -3.168) 5.309 19.092 ( -3.855 -1.813 3.168) 5.309 19.395 ( -6.614 -7.132 -9.121) 13.334 19.395 ( -6.614 -7.132 9.121) 13.334 20.688 ( -4.743 0.310 -2.341) 5.298 20.688 ( -4.743 0.310 2.341) 5.298 20.973 ( 1.337 0.652 -1.287) 1.967 20.973 ( 1.337 0.652 1.287) 1.967 21.945 ( -2.089 -1.079 -4.890) 5.426 21.945 ( -2.089 -1.079 4.890) 5.426 22.205 ( 14.555 1.100 -4.015) 15.139 22.205 ( 14.555 1.100 4.015) 15.139 22.861 ( 6.340 1.286 -17.738) 18.881 22.861 ( 6.340 1.286 17.738) 18.881 24.034 ( -2.890 0.106 -2.299) 3.694 24.034 ( -2.890 0.106 2.299) 3.694 25.079 ( 13.110 0.168 -6.657) 14.704 25.079 ( 13.110 0.168 6.657) 14.704 44.927 ( -0.651 1.097 -8.135) 8.235 44.927 ( -0.651 1.097 8.135) 8.235 45.300 ( 1.806 0.301 -4.454) 4.816 45.300 ( 1.806 0.301 4.454) 4.816 45.524 ( -4.860 -0.809 -2.067) 5.343 45.524 ( -4.860 -0.809 2.067) 5.343 47.230 ( -5.965 -1.261 -4.891) 7.816 47.230 ( -5.965 -1.261 4.891) 7.816 47.987 ( 5.445 2.108 -9.301) 10.981 47.987 ( 5.445 2.108 9.301) 10.981 94.649 ( -5.116 -1.200 -4.155) 6.699 94.649 ( -5.116 -1.200 4.155) 6.699 95.375 ( 1.842 0.692 -2.227) 2.971 95.375 ( 1.842 0.692 2.227) 2.971 95.444 ( -3.683 -0.351 -2.160) 4.284 95.444 ( -3.683 -0.351 2.160) 4.284 96.025 ( 3.874 0.574 -7.873) 8.793 96.025 ( 3.874 0.574 7.873) 8.793 96.558 ( -0.710 0.385 -3.217) 3.317 96.558 ( -0.710 0.385 3.217) 3.317 97.055 ( -0.603 0.638 -5.641) 5.709 97.055 ( -0.603 0.638 5.641) 5.709 97.513 ( 6.324 -3.107 -5.230) 8.775 97.513 ( 6.324 -3.107 5.230) 8.775 99.657 ( 2.074 -3.464 -18.814) 19.243 99.657 ( 2.074 -3.464 18.814) 19.243 101.204 ( 21.850 0.943 -5.867) 22.643 101.204 ( 21.850 0.943 5.867) 22.643 103.585 ( -29.778 -4.037 -3.448) 30.247 103.585 ( -29.778 -4.037 3.448) 30.247 ======================= Grid point 303 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.459 9.246 -18.265) 20.619 1.891 ( 2.459 9.246 18.265) 20.619 2.256 ( -5.758 11.601 -13.930) 19.020 2.256 ( -5.758 11.601 13.930) 19.020 2.507 ( -3.250 1.310 -5.563) 6.575 2.507 ( -3.250 1.310 5.563) 6.575 2.807 ( -3.667 -2.481 -8.314) 9.420 2.807 ( -3.667 -2.481 8.314) 9.420 3.013 ( -1.163 -2.766 -4.655) 5.538 3.013 ( -1.163 -2.766 4.655) 5.538 3.694 ( -2.754 4.718 -13.205) 14.291 3.694 ( -2.754 4.718 13.205) 14.291 3.914 ( 7.144 8.742 -14.819) 18.630 3.914 ( 7.144 8.742 14.819) 18.630 4.093 ( 1.055 -0.199 -3.299) 3.469 4.093 ( 1.055 -0.199 3.299) 3.469 4.412 ( -9.059 0.302 -9.684) 13.264 4.412 ( -9.059 0.302 9.684) 13.264 4.810 ( 1.519 -3.203 -2.565) 4.376 4.810 ( 1.519 -3.203 2.565) 4.376 4.971 ( -3.600 -0.289 -7.633) 8.444 4.971 ( -3.600 -0.289 7.633) 8.444 5.311 ( 6.357 -2.348 -3.647) 7.696 5.311 ( 6.357 -2.348 3.647) 7.696 5.428 ( 1.480 -7.712 -10.986) 13.504 5.428 ( 1.480 -7.712 10.986) 13.504 5.774 ( -0.352 -0.895 -4.341) 4.447 5.774 ( -0.352 -0.895 4.341) 4.447 6.107 ( -13.249 -8.113 -6.077) 16.681 6.107 ( -13.249 -8.113 6.077) 16.681 6.304 ( -3.929 -3.280 -4.062) 6.534 6.304 ( -3.929 -3.280 4.062) 6.534 6.724 ( -0.156 1.454 -1.832) 2.344 6.724 ( -0.156 1.454 1.832) 2.344 7.181 ( 1.568 -2.193 -2.459) 3.648 7.181 ( 1.568 -2.193 2.459) 3.648 7.544 ( 11.646 4.642 -0.790) 12.561 7.544 ( 11.646 4.642 0.790) 12.561 7.891 ( 1.188 -0.123 -3.687) 3.876 7.891 ( 1.188 -0.123 3.687) 3.876 8.196 ( -2.040 2.692 -0.930) 3.503 8.196 ( -2.040 2.692 0.930) 3.503 8.366 ( -3.473 0.334 -1.069) 3.649 8.366 ( -3.473 0.334 1.069) 3.649 8.451 ( 1.755 -0.951 -1.728) 2.641 8.451 ( 1.755 -0.951 1.728) 2.641 8.998 ( 6.146 2.881 -8.465) 10.850 8.998 ( 6.146 2.881 8.465) 10.850 14.347 ( -4.179 -1.026 -2.825) 5.147 14.347 ( -4.179 -1.026 2.825) 5.147 14.884 ( 18.481 0.615 -4.673) 19.073 14.884 ( 18.481 0.615 4.673) 19.073 16.635 ( -8.783 -1.766 -8.622) 12.434 16.635 ( -8.783 -1.766 8.622) 12.434 17.021 ( -10.285 2.009 -3.989) 11.213 17.021 ( -10.285 2.009 3.989) 11.213 17.191 ( -9.353 1.433 -9.439) 13.365 17.191 ( -9.353 1.433 9.439) 13.365 18.453 ( 7.060 -7.786 -13.883) 17.413 18.453 ( 7.060 -7.786 13.883) 17.413 18.963 ( -10.887 -2.225 -5.401) 12.355 18.963 ( -10.887 -2.225 5.401) 12.355 19.414 ( 0.045 -6.007 -12.216) 13.613 19.414 ( 0.045 -6.007 12.216) 13.613 20.630 ( -1.652 0.515 -1.129) 2.067 20.630 ( -1.652 0.515 1.129) 2.067 20.987 ( 0.612 -0.559 -2.037) 2.199 20.987 ( 0.612 -0.559 2.037) 2.199 21.913 ( -1.995 -0.983 -11.146) 11.366 21.913 ( -1.995 -0.983 11.146) 11.366 22.439 ( 11.726 1.348 -2.485) 12.062 22.439 ( 11.726 1.348 2.485) 12.062 22.917 ( 1.556 1.693 -16.469) 16.629 22.917 ( 1.556 1.693 16.469) 16.629 23.989 ( -1.972 0.008 -2.739) 3.375 23.989 ( -1.972 0.008 2.739) 3.375 25.270 ( 8.157 -0.017 -6.980) 10.735 25.270 ( 8.157 -0.017 6.980) 10.735 44.914 ( 0.268 1.434 -10.147) 10.251 44.914 ( 0.268 1.434 10.147) 10.251 45.295 ( -1.454 0.806 -2.997) 3.427 45.295 ( -1.454 0.806 2.997) 3.427 45.480 ( -1.284 -1.423 -4.608) 4.991 45.480 ( -1.284 -1.423 4.608) 4.991 47.160 ( -3.294 -1.418 -4.740) 5.944 47.160 ( -3.294 -1.418 4.740) 5.944 48.039 ( 2.829 2.637 -9.696) 10.439 48.039 ( 2.829 2.637 9.696) 10.439 94.593 ( -2.659 -1.427 -3.719) 4.789 94.593 ( -2.659 -1.427 3.719) 4.789 95.298 ( -4.399 1.801 -3.683) 6.013 95.298 ( -4.399 1.801 3.683) 6.013 95.486 ( 2.687 -1.952 -4.980) 5.986 95.486 ( 2.687 -1.952 4.980) 5.986 96.074 ( 2.317 0.934 -8.324) 8.691 96.074 ( 2.317 0.934 8.324) 8.691 96.541 ( -0.633 0.482 -3.663) 3.749 96.541 ( -0.633 0.482 3.663) 3.749 97.044 ( -0.154 0.241 -7.035) 7.041 97.044 ( -0.154 0.241 7.035) 7.041 97.639 ( 4.115 -3.619 -9.301) 10.796 97.639 ( 4.115 -3.619 9.301) 10.796 99.751 ( 2.884 -7.254 -20.536) 21.970 99.751 ( 2.884 -7.254 20.536) 21.970 101.640 ( 28.006 -0.183 -10.000) 29.738 101.640 ( 28.006 -0.183 10.000) 29.738 103.057 ( -33.535 -3.638 -3.386) 33.901 103.057 ( -33.535 -3.638 3.386) 33.901 ======================= Grid point 305 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 4.113 -22.578) 22.950 1.882 ( 0.000 4.113 22.578) 22.950 2.034 ( 0.000 19.311 -19.923) 27.746 2.034 ( 0.000 19.311 19.923) 27.746 2.460 ( 0.000 1.507 -6.421) 6.596 2.460 ( 0.000 1.507 6.421) 6.596 2.826 ( -0.000 -5.387 -10.082) 11.431 2.826 ( -0.000 -5.387 10.082) 11.431 3.022 ( -0.000 -2.604 -4.227) 4.965 3.022 ( -0.000 -2.604 4.227) 4.965 3.584 ( 0.000 5.626 -24.183) 24.829 3.584 ( 0.000 5.626 24.183) 24.829 3.964 ( 0.000 11.943 -2.295) 12.162 3.964 ( 0.000 11.943 2.295) 12.162 4.071 ( -0.000 -0.847 -9.135) 9.174 4.071 ( -0.000 -0.847 9.135) 9.174 4.342 ( -0.000 -4.954 -8.370) 9.726 4.342 ( -0.000 -4.954 8.370) 9.726 4.830 ( -0.000 -0.715 -4.248) 4.308 4.830 ( -0.000 -0.715 4.248) 4.308 4.931 ( 0.000 1.935 -10.182) 10.364 4.931 ( 0.000 1.935 10.182) 10.364 5.395 ( -0.000 -2.410 -2.031) 3.152 5.395 ( -0.000 -2.410 2.031) 3.152 5.494 ( -0.000 -5.639 -6.201) 8.381 5.494 ( -0.000 -5.639 6.201) 8.381 5.826 ( -0.000 -1.631 -6.643) 6.840 5.826 ( -0.000 -1.631 6.643) 6.840 6.048 ( -0.000 -11.704 -7.843) 14.089 6.048 ( -0.000 -11.704 7.843) 14.089 6.294 ( -0.000 -2.814 -3.659) 4.616 6.294 ( -0.000 -2.814 3.659) 4.616 6.710 ( 0.000 0.927 -3.151) 3.284 6.710 ( 0.000 0.927 3.151) 3.284 7.211 ( -0.000 -1.467 -4.921) 5.135 7.211 ( -0.000 -1.467 4.921) 5.135 7.629 ( 0.000 5.870 -1.204) 5.992 7.629 ( 0.000 5.870 1.204) 5.992 7.883 ( -0.000 -0.908 -2.665) 2.816 7.883 ( -0.000 -0.908 2.665) 2.816 8.148 ( 0.000 2.883 -2.465) 3.794 8.148 ( 0.000 2.883 2.465) 3.794 8.318 ( 0.000 0.347 -3.092) 3.111 8.318 ( 0.000 0.347 3.092) 3.111 8.492 ( -0.000 -1.217 -3.463) 3.671 8.492 ( -0.000 -1.217 3.463) 3.671 9.028 ( 0.000 2.974 -8.069) 8.600 9.028 ( 0.000 2.974 8.069) 8.600 14.311 ( -0.000 -0.788 -2.966) 3.069 14.311 ( -0.000 -0.788 2.966) 3.069 15.076 ( 0.000 0.169 -5.995) 5.997 15.076 ( 0.000 0.169 5.995) 5.997 16.568 ( -0.000 -2.767 -6.579) 7.137 16.568 ( -0.000 -2.767 6.579) 7.137 16.892 ( 0.000 1.168 -3.323) 3.522 16.892 ( 0.000 1.168 3.323) 3.522 17.100 ( 0.000 2.389 -13.396) 13.608 17.100 ( 0.000 2.389 13.396) 13.608 18.645 ( -0.000 -12.320 -13.355) 18.169 18.645 ( -0.000 -12.320 13.355) 18.169 18.829 ( 0.000 0.828 -6.049) 6.105 18.829 ( 0.000 0.828 6.049) 6.105 19.465 ( -0.000 -5.043 -12.533) 13.510 19.465 ( -0.000 -5.043 12.533) 13.510 20.611 ( 0.000 0.697 -0.671) 0.968 20.611 ( 0.000 0.697 0.671) 0.968 21.003 ( -0.000 -1.266 -3.602) 3.818 21.003 ( -0.000 -1.266 3.602) 3.818 21.902 ( -0.000 -1.016 -13.578) 13.616 21.902 ( -0.000 -1.016 13.578) 13.616 22.541 ( 0.000 1.282 -1.829) 2.234 22.541 ( 0.000 1.282 1.829) 2.234 22.906 ( 0.000 1.876 -15.741) 15.852 22.906 ( 0.000 1.876 15.741) 15.852 23.971 ( -0.000 -0.073 -2.779) 2.780 23.971 ( -0.000 -0.073 2.779) 2.780 25.345 ( -0.000 -0.145 -6.802) 6.803 25.345 ( -0.000 -0.145 6.802) 6.803 44.904 ( 0.000 1.525 -11.099) 11.203 44.904 ( 0.000 1.525 11.099) 11.203 45.269 ( 0.000 0.688 -3.027) 3.105 45.269 ( 0.000 0.688 3.027) 3.105 45.485 ( -0.000 -1.363 -5.343) 5.514 45.485 ( -0.000 -1.363 5.343) 5.514 47.143 ( -0.000 -1.405 -4.703) 4.908 47.143 ( -0.000 -1.405 4.703) 4.908 48.040 ( 0.000 2.741 -9.716) 10.095 48.040 ( 0.000 2.741 9.716) 10.095 94.582 ( -0.000 -1.484 -3.427) 3.735 94.582 ( -0.000 -1.484 3.427) 3.735 95.239 ( 0.000 2.046 -3.594) 4.136 95.239 ( 0.000 2.046 3.594) 4.136 95.533 ( -0.000 -2.568 -5.643) 6.200 95.533 ( -0.000 -2.568 5.643) 6.200 96.086 ( 0.000 1.017 -7.434) 7.503 96.086 ( 0.000 1.017 7.434) 7.503 96.531 ( 0.000 0.485 -3.743) 3.774 96.531 ( 0.000 0.485 3.743) 3.774 97.042 ( 0.000 0.048 -7.646) 7.646 97.042 ( 0.000 0.048 7.646) 7.646 97.707 ( -0.000 -3.273 -12.117) 12.552 97.707 ( -0.000 -3.273 12.117) 12.552 99.861 ( -0.000 -9.863 -18.284) 20.775 99.861 ( -0.000 -9.863 18.284) 20.775 102.044 ( -0.000 -4.323 -15.855) 16.434 102.044 ( -0.000 -4.323 15.855) 16.434 102.639 ( -0.000 -0.244 -0.052) 0.250 102.639 ( -0.000 -0.244 0.052) 0.250 ======================= Grid point 315 (95/100) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.669 0.000 -15.361) 15.375 2.043 ( 0.669 0.000 15.361) 15.375 2.662 ( -1.562 -0.000 -0.553) 1.656 2.662 ( -1.562 -0.000 0.553) 1.656 2.774 ( -3.686 -0.000 -10.665) 11.284 2.774 ( -3.686 -0.000 10.665) 11.284 2.828 ( -5.115 -0.000 -16.969) 17.723 2.828 ( -5.115 -0.000 16.969) 17.723 2.975 ( 9.198 0.000 -5.039) 10.488 2.975 ( 9.198 0.000 5.039) 10.488 3.551 ( 4.478 0.000 -1.365) 4.681 3.551 ( 4.478 0.000 1.365) 4.681 3.897 ( -4.001 -0.000 -1.159) 4.166 3.897 ( -4.001 -0.000 1.159) 4.166 4.328 ( 2.022 0.000 -5.846) 6.185 4.328 ( 2.022 0.000 5.846) 6.185 4.516 ( 3.710 0.000 -4.117) 5.542 4.516 ( 3.710 0.000 4.117) 5.542 4.738 ( -9.100 -0.000 -1.757) 9.268 4.738 ( -9.100 -0.000 1.757) 9.268 5.010 ( -6.483 -0.000 -2.562) 6.971 5.010 ( -6.483 -0.000 2.562) 6.971 5.144 ( 0.737 0.000 -10.329) 10.355 5.144 ( 0.737 0.000 10.329) 10.355 5.448 ( -8.035 -0.000 -14.497) 16.575 5.448 ( -8.035 -0.000 14.497) 16.575 5.918 ( -5.517 -0.000 -0.421) 5.533 5.918 ( -5.517 -0.000 0.421) 5.533 6.346 ( -0.652 -0.000 -3.643) 3.701 6.346 ( -0.652 -0.000 3.643) 3.701 6.528 ( -12.803 -0.000 -3.887) 13.380 6.528 ( -12.803 -0.000 3.887) 13.380 6.791 ( -3.305 -0.000 -8.056) 8.708 6.791 ( -3.305 -0.000 8.056) 8.708 6.966 ( 8.974 0.000 -0.171) 8.975 6.966 ( 8.974 0.000 0.171) 8.975 7.271 ( 4.531 0.000 -0.432) 4.552 7.271 ( 4.531 0.000 0.432) 4.552 7.755 ( 4.136 0.000 -0.897) 4.232 7.755 ( 4.136 0.000 0.897) 4.232 8.066 ( 8.768 0.000 -0.051) 8.769 8.066 ( 8.768 0.000 0.051) 8.769 8.408 ( -1.122 -0.000 -2.617) 2.848 8.408 ( -1.122 -0.000 2.617) 2.848 8.536 ( 2.118 0.000 -0.264) 2.134 8.536 ( 2.118 0.000 0.264) 2.134 8.795 ( 4.276 0.000 -3.544) 5.553 8.795 ( 4.276 0.000 3.544) 5.553 14.124 ( 12.526 0.000 -1.396) 12.604 14.124 ( 12.526 0.000 1.396) 12.604 14.653 ( -3.819 -0.000 -3.682) 5.305 14.653 ( -3.819 -0.000 3.682) 5.305 17.038 ( -13.160 -0.000 -12.226) 17.963 17.038 ( -13.160 -0.000 12.226) 17.963 17.302 ( -2.419 -0.000 -0.789) 2.544 17.302 ( -2.419 -0.000 0.789) 2.544 17.764 ( -13.336 -0.000 -5.758) 14.526 17.764 ( -13.336 -0.000 5.758) 14.526 18.183 ( 1.728 0.000 -9.544) 9.699 18.183 ( 1.728 0.000 9.544) 9.699 19.062 ( 1.876 0.000 -1.373) 2.325 19.062 ( 1.876 0.000 1.373) 2.325 19.477 ( -13.574 -0.000 -4.393) 14.267 19.477 ( -13.574 -0.000 4.393) 14.267 20.796 ( -6.645 -0.000 -1.939) 6.922 20.796 ( -6.645 -0.000 1.939) 6.922 20.954 ( 2.691 0.000 -3.438) 4.365 20.954 ( 2.691 0.000 3.438) 4.365 21.865 ( 11.615 0.000 -2.371) 11.855 21.865 ( 11.615 0.000 2.371) 11.855 22.087 ( -2.481 -0.000 -5.127) 5.696 22.087 ( -2.481 -0.000 5.127) 5.696 22.737 ( 9.226 0.000 -17.700) 19.960 22.737 ( 9.226 0.000 17.700) 19.960 24.083 ( -2.316 -0.000 -0.960) 2.507 24.083 ( -2.316 -0.000 0.960) 2.507 24.847 ( 12.630 0.000 -4.878) 13.539 24.847 ( 12.630 0.000 4.878) 13.539 44.961 ( -1.343 -0.000 -5.403) 5.567 44.961 ( -1.343 -0.000 5.403) 5.567 45.249 ( 3.387 0.000 -5.100) 6.122 45.249 ( 3.387 0.000 5.100) 6.122 45.610 ( -5.101 -0.000 -0.069) 5.101 45.610 ( -5.101 -0.000 0.069) 5.101 47.331 ( -7.492 -0.000 -5.071) 9.046 47.331 ( -7.492 -0.000 5.071) 9.046 47.902 ( 7.470 0.000 -8.647) 11.427 47.902 ( 7.470 0.000 8.647) 11.427 94.741 ( -7.187 -0.000 -4.914) 8.706 94.741 ( -7.187 -0.000 4.914) 8.706 95.289 ( 6.686 0.000 -2.437) 7.117 95.289 ( 6.686 0.000 2.437) 7.117 95.557 ( -6.647 -0.000 -5.122) 8.392 95.557 ( -6.647 -0.000 5.122) 8.392 95.953 ( 4.707 0.000 -6.154) 7.747 95.953 ( 4.707 0.000 6.154) 7.747 96.571 ( -0.203 -0.000 -2.702) 2.709 96.571 ( -0.203 -0.000 2.702) 2.709 97.080 ( -0.624 -0.000 -3.726) 3.778 97.080 ( -0.624 -0.000 3.726) 3.778 97.369 ( 4.517 0.000 -0.757) 4.580 97.369 ( 4.517 0.000 0.757) 4.580 99.609 ( -0.216 -0.000 -12.860) 12.862 99.609 ( -0.216 -0.000 12.860) 12.862 100.901 ( 14.151 0.000 -4.054) 14.721 100.901 ( 14.151 0.000 4.054) 14.721 103.989 ( -22.147 -0.000 -2.826) 22.326 103.989 ( -22.147 -0.000 2.826) 22.326 ======================= Grid point 319 (96/100) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.637 2.520 -18.380) 18.563 2.047 ( 0.637 2.520 18.380) 18.563 2.544 ( -5.917 5.235 -12.490) 14.778 2.544 ( -5.917 5.235 12.490) 14.778 2.655 ( -7.078 1.840 -8.114) 10.924 2.655 ( -7.078 1.840 8.114) 10.924 2.787 ( -5.273 -6.215 -14.438) 16.579 2.787 ( -5.273 -6.215 14.438) 16.579 3.058 ( 1.741 3.486 -5.782) 6.972 3.058 ( 1.741 3.486 5.782) 6.972 3.679 ( 9.665 1.350 -3.564) 10.390 3.679 ( 9.665 1.350 3.564) 10.390 3.889 ( 1.970 -1.770 -3.417) 4.323 3.889 ( 1.970 -1.770 3.417) 4.323 4.305 ( -4.721 5.378 -10.662) 12.841 4.305 ( -4.721 5.378 10.662) 12.841 4.548 ( 0.442 -0.508 -6.869) 6.902 4.548 ( 0.442 -0.508 6.869) 6.902 4.645 ( -0.813 -1.664 -7.236) 7.469 4.645 ( -0.813 -1.664 7.236) 7.469 4.914 ( -5.292 -5.439 -7.299) 10.529 4.914 ( -5.292 -5.439 7.299) 10.529 5.191 ( 4.267 1.343 -8.257) 9.391 5.191 ( 4.267 1.343 8.257) 9.391 5.339 ( -4.203 -1.254 -12.697) 13.433 5.339 ( -4.203 -1.254 12.697) 13.433 5.830 ( -4.553 0.449 -0.763) 4.638 5.830 ( -4.553 0.449 0.763) 4.638 6.214 ( -16.213 -2.939 -1.704) 16.565 6.214 ( -16.213 -2.939 1.704) 16.565 6.343 ( -6.006 -0.696 -2.348) 6.486 6.343 ( -6.006 -0.696 2.348) 6.486 6.759 ( -0.273 0.762 -4.976) 5.041 6.759 ( -0.273 0.762 4.976) 5.041 7.083 ( 3.917 -1.070 -1.877) 4.473 7.083 ( 3.917 -1.070 1.877) 4.473 7.418 ( 11.484 1.298 -0.859) 11.589 7.418 ( 11.484 1.298 0.859) 11.589 7.831 ( 4.500 -0.022 -2.189) 5.004 7.831 ( 4.500 -0.022 2.189) 5.004 8.213 ( 6.615 0.331 -0.987) 6.696 8.213 ( 6.615 0.331 0.987) 6.696 8.381 ( -0.911 0.558 -0.424) 1.149 8.381 ( -0.911 0.558 0.424) 1.149 8.499 ( -5.421 -0.489 -2.099) 5.834 8.499 ( -5.421 -0.489 2.099) 5.834 8.918 ( 8.852 1.119 -7.974) 11.966 8.918 ( 8.852 1.119 7.974) 11.966 14.337 ( 7.016 -0.341 -0.861) 7.077 14.337 ( 7.016 -0.341 0.861) 7.077 14.635 ( 6.398 0.334 -3.623) 7.360 14.635 ( 6.398 0.334 3.623) 7.360 16.804 ( -12.869 -0.264 -12.898) 18.222 16.804 ( -12.869 -0.264 12.898) 18.222 17.224 ( -5.961 1.156 -0.953) 6.146 17.224 ( -5.961 1.156 0.953) 6.146 17.470 ( -18.519 0.233 -0.851) 18.540 17.470 ( -18.519 0.233 0.851) 18.540 18.234 ( 3.398 -1.696 -16.341) 16.777 18.234 ( 3.398 -1.696 16.341) 16.777 19.072 ( -3.958 -0.483 -3.929) 5.598 19.072 ( -3.958 -0.483 3.929) 5.598 19.299 ( -5.558 -3.068 -10.410) 12.193 19.299 ( -5.558 -3.068 10.410) 12.193 20.691 ( -4.716 0.083 -2.281) 5.239 20.691 ( -4.716 0.083 2.281) 5.239 20.981 ( 0.535 0.268 -0.900) 1.081 20.981 ( 0.535 0.268 0.900) 1.081 21.933 ( -1.954 -0.332 -4.932) 5.315 21.933 ( -1.954 -0.332 4.932) 5.315 22.219 ( 14.793 0.439 -4.349) 15.425 22.219 ( 14.793 0.439 4.349) 15.425 22.877 ( 6.478 0.506 -17.859) 19.004 22.877 ( 6.478 0.506 17.859) 19.004 24.035 ( -2.926 0.055 -2.013) 3.552 24.035 ( -2.926 0.055 2.013) 3.552 25.081 ( 12.991 0.055 -6.681) 14.608 25.081 ( 12.991 0.055 6.681) 14.608 44.942 ( -0.518 0.434 -7.961) 7.990 44.942 ( -0.518 0.434 7.961) 7.990 45.304 ( 2.321 0.108 -5.087) 5.593 45.304 ( 2.321 0.108 5.087) 5.593 45.514 ( -5.368 -0.294 -1.387) 5.552 45.514 ( -5.368 -0.294 1.387) 5.552 47.214 ( -5.957 -0.507 -4.806) 7.671 47.214 ( -5.957 -0.507 4.806) 7.671 48.015 ( 5.624 0.824 -9.537) 11.102 48.015 ( 5.624 0.824 9.537) 11.102 94.635 ( -5.137 -0.439 -4.448) 6.809 94.635 ( -5.137 -0.439 4.448) 6.809 95.384 ( 3.580 0.279 -2.057) 4.138 95.384 ( 3.580 0.279 2.057) 4.138 95.440 ( -5.721 -0.128 -4.650) 7.374 95.440 ( -5.721 -0.128 4.650) 7.374 96.031 ( 4.133 0.161 -8.872) 9.789 96.031 ( 4.133 0.161 8.872) 9.789 96.563 ( -0.663 0.143 -3.489) 3.554 96.563 ( -0.663 0.143 3.489) 3.554 97.063 ( -0.925 0.285 -5.566) 5.650 97.063 ( -0.925 0.285 5.566) 5.650 97.471 ( 5.892 -1.298 -2.412) 6.498 97.471 ( 5.892 -1.298 2.412) 6.498 99.616 ( 0.649 -1.114 -19.029) 19.072 99.616 ( 0.649 -1.114 19.029) 19.072 101.216 ( 21.703 0.361 -6.305) 22.603 101.216 ( 21.703 0.361 6.305) 22.603 103.536 ( -29.618 -1.410 -3.819) 29.896 103.536 ( -29.618 -1.410 3.819) 29.896 ======================= Grid point 321 (97/100) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -1.392 4.247 -18.271) 18.810 2.007 ( -1.392 4.247 18.271) 18.810 2.420 ( -2.651 6.113 -16.361) 17.666 2.420 ( -2.651 6.113 16.361) 17.666 2.532 ( -4.041 1.285 -8.068) 9.115 2.532 ( -4.041 1.285 8.068) 9.115 2.741 ( -5.060 -4.687 -12.974) 14.693 2.741 ( -5.060 -4.687 12.974) 14.693 3.029 ( 0.071 4.106 -8.346) 9.301 3.029 ( 0.071 4.106 8.346) 9.301 3.776 ( 1.742 4.079 -5.790) 7.294 3.776 ( 1.742 4.079 5.790) 7.294 3.973 ( 4.070 -3.256 -5.337) 7.460 3.973 ( 4.070 -3.256 5.337) 7.460 4.173 ( 2.282 10.040 -15.642) 18.726 4.173 ( 2.282 10.040 15.642) 18.726 4.462 ( -7.465 5.221 -7.086) 11.541 4.462 ( -7.465 5.221 7.086) 11.541 4.727 ( 2.705 -6.294 -2.356) 7.244 4.727 ( 2.705 -6.294 2.356) 7.244 4.911 ( -2.064 -6.188 -9.063) 11.166 4.911 ( -2.064 -6.188 9.063) 11.166 5.276 ( 5.669 -1.419 -8.914) 10.659 5.276 ( 5.669 -1.419 8.914) 10.659 5.333 ( 0.721 -2.587 -8.395) 8.814 5.333 ( 0.721 -2.587 8.395) 8.814 5.757 ( -2.751 -0.922 -2.909) 4.109 5.757 ( -2.751 -0.922 2.909) 4.109 5.975 ( -14.356 -5.800 -3.949) 15.979 5.975 ( -14.356 -5.800 3.949) 15.979 6.264 ( -3.817 -1.366 -3.484) 5.346 6.264 ( -3.817 -1.366 3.484) 5.346 6.749 ( -0.205 1.188 -1.417) 1.860 6.749 ( -0.205 1.188 1.417) 1.860 7.141 ( 1.531 -1.967 -0.410) 2.526 7.141 ( 1.531 -1.967 0.410) 2.526 7.611 ( 11.908 2.663 -0.334) 12.206 7.611 ( 11.908 2.663 0.334) 12.206 7.891 ( 1.224 0.065 -3.435) 3.647 7.891 ( 1.224 0.065 3.435) 3.647 8.234 ( -2.023 1.435 -0.903) 2.640 8.234 ( -2.023 1.435 0.903) 2.640 8.376 ( -3.388 0.722 -1.279) 3.692 8.376 ( -3.388 0.722 1.279) 3.692 8.434 ( 1.616 -0.973 -0.891) 2.086 8.434 ( 1.616 -0.973 0.891) 2.086 9.041 ( 5.936 1.779 -10.012) 11.774 9.041 ( 5.936 1.779 10.012) 11.774 14.332 ( -3.755 -0.615 -1.555) 4.110 14.332 ( -3.755 -0.615 1.555) 4.110 14.893 ( 17.790 0.397 -4.735) 18.413 14.893 ( 17.790 0.397 4.735) 18.413 16.610 ( -9.682 -1.016 -10.659) 14.436 16.610 ( -9.682 -1.016 10.659) 14.436 17.044 ( -12.864 0.641 -5.422) 13.975 17.044 ( -12.864 0.641 5.422) 13.975 17.222 ( -6.805 1.730 -10.831) 12.908 17.222 ( -6.805 1.730 10.831) 12.908 18.330 ( 3.904 -5.261 -18.301) 19.438 18.330 ( 3.904 -5.261 18.301) 19.438 18.942 ( -8.518 -0.419 -5.869) 10.352 18.942 ( -8.518 -0.419 5.869) 10.352 19.318 ( 1.135 -4.280 -11.743) 12.550 19.318 ( 1.135 -4.280 11.743) 12.550 20.636 ( -1.560 0.238 -0.755) 1.749 20.636 ( -1.560 0.238 0.755) 1.749 20.979 ( -0.468 -0.377 -1.700) 1.803 20.979 ( -0.468 -0.377 1.700) 1.803 21.902 ( -1.493 -0.343 -11.179) 11.283 21.902 ( -1.493 -0.343 11.179) 11.283 22.459 ( 11.679 0.870 -3.008) 12.092 22.459 ( 11.679 0.870 3.008) 12.092 22.943 ( 1.771 1.098 -16.594) 16.724 22.943 ( 1.771 1.098 16.594) 16.724 23.989 ( -2.047 0.044 -2.471) 3.209 23.989 ( -2.047 0.044 2.471) 3.209 25.270 ( 7.969 -0.026 -7.262) 10.782 25.270 ( 7.969 -0.026 7.262) 10.782 44.936 ( 0.429 0.945 -10.151) 10.204 44.936 ( 0.429 0.945 10.151) 10.204 45.308 ( -1.380 0.631 -3.407) 3.730 45.308 ( -1.380 0.631 3.407) 3.730 45.457 ( -1.404 -1.006 -4.216) 4.556 45.457 ( -1.404 -1.006 4.216) 4.556 47.138 ( -3.296 -0.944 -4.677) 5.799 47.138 ( -3.296 -0.944 4.677) 5.799 48.079 ( 2.963 1.696 -9.989) 10.557 48.079 ( 2.963 1.696 9.989) 10.557 94.572 ( -2.656 -0.863 -4.080) 4.944 94.572 ( -2.656 -0.863 4.080) 4.944 95.325 ( -4.184 1.145 -4.343) 6.138 95.325 ( -4.184 1.145 4.343) 6.138 95.458 ( 2.173 -1.132 -3.554) 4.317 95.458 ( 2.173 -1.132 3.554) 4.317 96.087 ( 2.438 0.555 -9.978) 10.287 96.087 ( 2.438 0.555 9.978) 10.287 96.549 ( -0.609 0.312 -3.954) 4.013 96.549 ( -0.609 0.312 3.954) 4.013 97.048 ( -0.496 0.180 -6.841) 6.861 97.048 ( -0.496 0.180 6.841) 6.861 97.579 ( 3.947 -2.686 -5.508) 7.289 97.579 ( 3.947 -2.686 5.508) 7.289 99.654 ( 1.189 -3.580 -22.401) 22.716 99.654 ( 1.189 -3.580 22.401) 22.716 101.639 ( 25.993 0.000 -9.990) 27.847 101.639 ( 25.993 0.000 9.990) 27.847 103.008 ( -31.173 -1.867 -3.539) 31.428 103.008 ( -31.173 -1.867 3.539) 31.428 ======================= Grid point 323 (98/100) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.000 3.830 -18.521) 18.913 1.956 ( 0.000 3.830 18.521) 18.913 2.323 ( 0.000 11.555 -17.913) 21.316 2.323 ( 0.000 11.555 17.913) 21.316 2.486 ( 0.000 1.321 -8.029) 8.137 2.486 ( 0.000 1.321 8.029) 8.137 2.733 ( -0.000 -4.688 -12.208) 13.077 2.733 ( -0.000 -4.688 12.208) 13.077 3.004 ( 0.000 1.517 -8.264) 8.402 3.004 ( 0.000 1.517 8.264) 8.402 3.708 ( 0.000 7.541 -17.111) 18.699 3.708 ( 0.000 7.541 17.111) 18.699 4.047 ( -0.000 -3.021 -4.275) 5.235 4.047 ( -0.000 -3.021 4.275) 5.235 4.200 ( 0.000 14.145 -4.031) 14.708 4.200 ( 0.000 14.145 4.031) 14.708 4.270 ( -0.000 -0.975 -16.176) 16.206 4.270 ( -0.000 -0.975 16.176) 16.206 4.794 ( -0.000 -3.850 -3.163) 4.983 4.794 ( -0.000 -3.850 3.163) 4.983 4.933 ( -0.000 -2.608 -9.535) 9.885 4.933 ( -0.000 -2.608 9.535) 9.885 5.360 ( -0.000 -1.155 -4.511) 4.657 5.360 ( -0.000 -1.155 4.511) 4.657 5.380 ( -0.000 -6.504 -8.260) 10.513 5.380 ( -0.000 -6.504 8.260) 10.513 5.804 ( -0.000 -0.764 -5.827) 5.877 5.804 ( -0.000 -0.764 5.827) 5.877 5.845 ( -0.000 -10.143 -5.780) 11.674 5.845 ( -0.000 -10.143 5.780) 11.674 6.247 ( -0.000 -2.337 -4.803) 5.341 6.247 ( -0.000 -2.337 4.803) 5.341 6.733 ( 0.000 1.465 -3.275) 3.588 6.733 ( 0.000 1.465 3.275) 3.588 7.174 ( -0.000 -2.370 -2.205) 3.237 7.174 ( -0.000 -2.370 2.205) 3.237 7.725 ( 0.000 4.550 -0.273) 4.558 7.725 ( 0.000 4.550 0.273) 4.558 7.870 ( -0.000 -0.545 -2.536) 2.594 7.870 ( -0.000 -0.545 2.536) 2.594 8.195 ( 0.000 2.190 -2.972) 3.692 8.195 ( 0.000 2.190 2.972) 3.692 8.325 ( 0.000 0.373 -1.622) 1.664 8.325 ( 0.000 0.373 1.622) 1.664 8.472 ( -0.000 -0.985 -2.367) 2.564 8.472 ( -0.000 -0.985 2.367) 2.564 9.077 ( 0.000 2.352 -10.251) 10.517 9.077 ( 0.000 2.352 10.251) 10.517 14.298 ( -0.000 -0.644 -2.101) 2.197 14.298 ( -0.000 -0.644 2.101) 2.197 15.079 ( 0.000 0.170 -5.750) 5.753 15.079 ( 0.000 0.170 5.750) 5.753 16.523 ( -0.000 -2.092 -7.313) 7.606 16.523 ( -0.000 -2.092 7.313) 7.606 16.906 ( 0.000 0.417 -2.913) 2.943 16.906 ( 0.000 0.417 2.913) 2.943 17.150 ( 0.000 2.822 -12.101) 12.426 17.150 ( 0.000 2.822 12.101) 12.426 18.443 ( -0.000 -9.557 -17.725) 20.138 18.443 ( -0.000 -9.557 17.725) 20.138 18.847 ( 0.000 1.142 -5.938) 6.047 18.847 ( 0.000 1.142 5.938) 6.047 19.372 ( -0.000 -5.020 -11.678) 12.712 19.372 ( -0.000 -5.020 11.678) 12.712 20.622 ( 0.000 0.437 -0.263) 0.510 20.622 ( 0.000 0.437 0.263) 0.510 20.981 ( -0.000 -1.113 -2.866) 3.074 20.981 ( -0.000 -1.113 2.866) 3.074 21.891 ( -0.000 -0.334 -13.686) 13.690 21.891 ( -0.000 -0.334 13.686) 13.690 22.564 ( 0.000 1.119 -2.392) 2.641 22.564 ( 0.000 1.119 2.392) 2.641 22.938 ( 0.000 1.634 -15.906) 15.990 22.938 ( 0.000 1.634 15.906) 15.990 23.970 ( -0.000 -0.010 -2.541) 2.541 23.970 ( -0.000 -0.010 2.541) 2.541 25.343 ( -0.000 -0.132 -7.230) 7.231 25.343 ( -0.000 -0.132 7.230) 7.231 44.931 ( 0.000 1.366 -11.279) 11.361 44.931 ( 0.000 1.366 11.279) 11.361 45.282 ( 0.000 0.707 -3.243) 3.319 45.282 ( 0.000 0.707 3.243) 3.319 45.460 ( -0.000 -1.270 -5.174) 5.327 45.460 ( -0.000 -1.270 5.174) 5.327 47.118 ( -0.000 -1.262 -4.657) 4.825 47.118 ( -0.000 -1.262 4.657) 4.825 48.087 ( 0.000 2.368 -10.046) 10.321 48.087 ( 0.000 2.368 10.046) 10.321 94.558 ( -0.000 -1.201 -3.843) 4.026 94.558 ( -0.000 -1.201 3.843) 4.026 95.274 ( 0.000 1.683 -4.343) 4.658 95.274 ( 0.000 1.683 4.343) 4.658 95.492 ( -0.000 -1.880 -4.421) 4.804 95.492 ( -0.000 -1.880 4.421) 4.804 96.103 ( 0.000 0.836 -9.672) 9.708 96.103 ( 0.000 0.836 9.672) 9.708 96.539 ( 0.000 0.436 -4.049) 4.072 96.539 ( 0.000 0.436 4.049) 4.072 97.043 ( 0.000 0.043 -7.408) 7.408 97.043 ( 0.000 0.043 7.408) 7.408 97.644 ( -0.000 -3.514 -8.297) 9.010 97.644 ( -0.000 -3.514 8.297) 9.010 99.712 ( -0.000 -6.387 -22.763) 23.642 99.712 ( -0.000 -6.387 22.763) 23.642 101.984 ( -0.000 -2.417 -15.436) 15.624 101.984 ( -0.000 -2.417 15.436) 15.624 102.635 ( -0.000 -0.214 -0.047) 0.219 102.635 ( -0.000 -0.214 0.047) 0.219 ======================= Grid point 337 (99/100) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -2.285 -0.000 -15.677) 15.843 2.045 ( -2.285 -0.000 15.677) 15.843 2.477 ( -3.766 -0.000 -18.559) 18.937 2.477 ( -3.766 -0.000 18.559) 18.937 2.544 ( -4.577 -0.000 -10.635) 11.578 2.544 ( -4.577 -0.000 10.635) 11.578 2.687 ( -3.016 -0.000 -15.997) 16.279 2.687 ( -3.016 -0.000 15.997) 16.279 3.082 ( -0.412 -0.000 -9.469) 9.478 3.082 ( -0.412 -0.000 9.469) 9.478 3.824 ( 4.990 0.000 -4.235) 6.545 3.824 ( 4.990 0.000 4.235) 6.545 3.917 ( 0.867 0.000 -2.992) 3.115 3.917 ( 0.867 0.000 2.992) 3.115 4.301 ( 1.898 0.000 -7.720) 7.950 4.301 ( 1.898 0.000 7.720) 7.950 4.552 ( -0.817 -0.000 -10.560) 10.592 4.552 ( -0.817 -0.000 10.560) 10.592 4.620 ( -0.391 -0.000 -6.642) 6.653 4.620 ( -0.391 -0.000 6.642) 6.653 4.830 ( -1.523 -0.000 -3.422) 3.746 4.830 ( -1.523 -0.000 3.422) 3.746 5.263 ( 2.186 0.000 -10.118) 10.352 5.263 ( 2.186 0.000 10.118) 10.352 5.316 ( 2.643 0.000 -7.862) 8.294 5.316 ( 2.643 0.000 7.862) 8.294 5.747 ( -4.912 -0.000 -0.700) 4.962 5.747 ( -4.912 -0.000 0.700) 4.962 5.921 ( -13.024 -0.000 -1.933) 13.167 5.921 ( -13.024 -0.000 1.933) 13.167 6.252 ( -4.153 -0.000 -3.198) 5.241 6.252 ( -4.153 -0.000 3.198) 5.241 6.760 ( -0.165 -0.000 -0.672) 0.692 6.760 ( -0.165 -0.000 0.672) 0.692 7.122 ( 1.481 0.000 -0.659) 1.621 7.122 ( 1.481 0.000 0.659) 1.621 7.635 ( 11.900 0.000 -0.248) 11.903 7.635 ( 11.900 0.000 0.248) 11.903 7.892 ( 1.364 0.000 -3.225) 3.501 7.892 ( 1.364 0.000 3.225) 3.501 8.246 ( -1.902 -0.000 -0.168) 1.909 8.246 ( -1.902 -0.000 0.168) 1.909 8.385 ( -4.380 -0.000 -1.473) 4.620 8.385 ( -4.380 -0.000 1.473) 4.620 8.423 ( 2.494 0.000 -0.316) 2.514 8.423 ( 2.494 0.000 0.316) 2.514 9.058 ( 5.823 0.000 -10.519) 12.023 9.058 ( 5.823 0.000 10.519) 12.023 14.327 ( -3.608 -0.000 -0.646) 3.665 14.327 ( -3.608 -0.000 0.646) 3.665 14.897 ( 17.536 0.000 -4.752) 18.169 14.897 ( 17.536 0.000 4.752) 18.169 16.600 ( -10.009 -0.000 -11.349) 15.132 16.600 ( -10.009 -0.000 11.349) 15.132 17.049 ( -13.644 -0.000 -5.462) 14.696 17.049 ( -13.644 -0.000 5.462) 14.696 17.239 ( -6.048 -0.000 -10.738) 12.324 17.239 ( -6.048 -0.000 10.738) 12.324 18.282 ( 2.761 0.000 -19.907) 20.097 18.282 ( 2.761 0.000 19.907) 20.097 18.940 ( -7.532 -0.000 -5.542) 9.351 18.940 ( -7.532 -0.000 5.542) 9.351 19.278 ( 1.490 0.000 -11.337) 11.435 19.278 ( 1.490 0.000 11.337) 11.435 20.638 ( -1.513 -0.000 -0.633) 1.640 20.638 ( -1.513 -0.000 0.633) 1.640 20.975 ( -0.890 -0.000 -1.503) 1.747 20.975 ( -0.890 -0.000 1.503) 1.747 21.899 ( -1.305 -0.000 -11.098) 11.175 21.899 ( -1.305 -0.000 11.098) 11.175 22.467 ( 11.661 0.000 -3.181) 12.087 22.467 ( 11.661 0.000 3.181) 12.087 22.953 ( 1.851 0.000 -16.652) 16.754 22.953 ( 1.851 0.000 16.652) 16.754 23.990 ( -2.075 -0.000 -2.355) 3.139 23.990 ( -2.075 -0.000 2.355) 3.139 25.270 ( 7.903 0.000 -7.352) 10.795 25.270 ( 7.903 0.000 7.352) 10.795 44.945 ( 0.496 0.000 -10.149) 10.161 44.945 ( 0.496 0.000 10.149) 10.161 45.314 ( -1.331 -0.000 -3.621) 3.858 45.314 ( -1.331 -0.000 3.621) 3.858 45.448 ( -1.477 -0.000 -4.025) 4.288 45.448 ( -1.477 -0.000 4.025) 4.288 47.129 ( -3.297 -0.000 -4.649) 5.700 47.129 ( -3.297 -0.000 4.649) 5.700 48.095 ( 3.015 0.000 -10.102) 10.542 48.095 ( 3.015 0.000 10.102) 10.542 94.564 ( -2.661 -0.000 -4.212) 4.982 94.564 ( -2.661 -0.000 4.212) 4.982 95.336 ( -4.160 -0.000 -4.629) 6.224 95.336 ( -4.160 -0.000 4.629) 6.224 95.448 ( 2.052 0.000 -2.609) 3.319 95.448 ( 2.052 0.000 2.609) 3.319 96.092 ( 2.518 0.000 -10.537) 10.834 96.092 ( 2.518 0.000 10.537) 10.834 96.551 ( -0.593 -0.000 -4.075) 4.118 96.551 ( -0.593 -0.000 4.075) 4.118 97.050 ( -0.648 -0.000 -6.781) 6.812 97.050 ( -0.648 -0.000 6.781) 6.812 97.554 ( 3.847 0.000 -3.232) 5.024 97.554 ( 3.847 0.000 3.232) 5.024 99.622 ( 0.657 0.000 -22.601) 22.611 99.622 ( 0.657 0.000 22.601) 22.611 101.639 ( 25.318 0.000 -9.996) 27.220 101.639 ( 25.318 0.000 9.996) 27.220 102.991 ( -30.326 -0.000 -3.487) 30.525 102.991 ( -30.326 -0.000 3.487) 30.525 ======================= Grid point 341 (100/100) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 1.607 -13.226) 13.323 2.007 ( 0.000 1.607 13.226) 13.323 2.435 ( 0.000 2.145 -18.893) 19.014 2.435 ( 0.000 2.145 18.893) 19.014 2.505 ( 0.000 0.673 -9.613) 9.636 2.505 ( 0.000 0.673 9.613) 9.636 2.670 ( -0.000 -2.059 -13.402) 13.559 2.670 ( -0.000 -2.059 13.402) 13.559 3.062 ( 0.000 3.097 -10.039) 10.506 3.062 ( 0.000 3.097 10.039) 10.506 3.828 ( 0.000 5.786 -6.172) 8.460 3.828 ( 0.000 5.786 6.172) 8.460 3.953 ( -0.000 -6.160 -2.500) 6.648 3.953 ( -0.000 -6.160 2.500) 6.648 4.327 ( 0.000 4.814 -15.990) 16.699 4.327 ( 0.000 4.814 15.990) 16.699 4.447 ( 0.000 12.622 -6.854) 14.363 4.447 ( 0.000 12.622 6.854) 14.363 4.681 ( -0.000 -8.542 -2.403) 8.874 4.681 ( -0.000 -8.542 2.403) 8.874 4.845 ( -0.000 -5.211 -9.205) 10.578 4.845 ( -0.000 -5.211 9.205) 10.578 5.291 ( -0.000 -2.777 -8.779) 9.208 5.291 ( -0.000 -2.777 8.779) 9.208 5.357 ( 0.000 0.381 -6.623) 6.634 5.357 ( 0.000 0.381 6.623) 6.634 5.714 ( -0.000 -3.993 -4.011) 5.660 5.714 ( -0.000 -3.993 4.011) 5.660 5.796 ( -0.000 -0.180 -5.889) 5.891 5.796 ( -0.000 -0.180 5.889) 5.891 6.217 ( -0.000 -0.900 -5.546) 5.619 6.217 ( -0.000 -0.900 5.546) 5.619 6.754 ( 0.000 0.723 -3.282) 3.360 6.754 ( 0.000 0.723 3.282) 3.360 7.140 ( -0.000 -1.156 -0.442) 1.238 7.140 ( -0.000 -1.156 0.442) 1.238 7.782 ( 0.000 1.698 -0.363) 1.736 7.782 ( 0.000 1.698 0.363) 1.736 7.864 ( -0.000 -0.176 -2.469) 2.476 7.864 ( -0.000 -0.176 2.469) 2.476 8.222 ( 0.000 0.805 -3.218) 3.317 8.222 ( 0.000 0.805 3.218) 3.317 8.330 ( 0.000 0.156 -1.424) 1.433 8.330 ( 0.000 0.156 1.424) 1.433 8.459 ( -0.000 -0.397 -0.962) 1.041 8.459 ( -0.000 -0.397 0.962) 1.041 9.107 ( 0.000 0.874 -11.305) 11.338 9.107 ( 0.000 0.874 11.305) 11.338 14.290 ( -0.000 -0.243 -1.329) 1.351 14.290 ( -0.000 -0.243 1.329) 1.351 15.082 ( 0.000 0.073 -5.564) 5.564 15.082 ( 0.000 0.073 5.564) 5.564 16.497 ( -0.000 -0.745 -8.328) 8.361 16.497 ( -0.000 -0.745 8.328) 8.361 16.910 ( 0.000 0.061 -2.279) 2.280 16.910 ( 0.000 0.061 2.279) 2.280 17.188 ( 0.000 1.252 -10.897) 10.969 17.188 ( 0.000 1.252 10.897) 10.969 18.324 ( -0.000 -3.511 -20.370) 20.670 18.324 ( -0.000 -3.511 20.370) 20.670 18.865 ( 0.000 0.654 -5.527) 5.566 18.865 ( 0.000 0.654 5.527) 5.566 19.303 ( -0.000 -2.236 -10.642) 10.874 19.303 ( -0.000 -2.236 10.642) 10.874 20.627 ( 0.000 0.150 -0.482) 0.504 20.627 ( 0.000 0.150 0.482) 0.504 20.967 ( -0.000 -0.439 -2.288) 2.329 20.967 ( -0.000 -0.439 2.288) 2.329 21.888 ( -0.000 -0.045 -13.406) 13.406 21.888 ( -0.000 -0.045 13.406) 13.406 22.578 ( 0.000 0.440 -2.706) 2.742 22.578 ( 0.000 0.440 2.706) 2.742 22.959 ( 0.000 0.635 -16.033) 16.045 22.959 ( 0.000 0.635 16.033) 16.045 23.970 ( 0.000 0.013 -2.357) 2.357 23.970 ( 0.000 0.013 2.357) 2.357 25.341 ( -0.000 -0.051 -7.475) 7.475 25.341 ( -0.000 -0.051 7.475) 7.475 44.949 ( 0.000 0.547 -11.399) 11.412 44.949 ( 0.000 0.547 11.399) 11.412 45.292 ( 0.000 0.323 -3.398) 3.413 45.292 ( 0.000 0.323 3.398) 3.413 45.443 ( -0.000 -0.537 -5.099) 5.127 45.443 ( -0.000 -0.537 5.099) 5.127 47.102 ( -0.000 -0.506 -4.622) 4.650 47.102 ( -0.000 -0.506 4.622) 4.650 48.117 ( 0.000 0.925 -10.253) 10.295 48.117 ( 0.000 0.925 10.253) 10.295 94.543 ( -0.000 -0.452 -4.087) 4.112 94.543 ( -0.000 -0.452 4.087) 4.112 95.295 ( 0.000 0.640 -4.763) 4.806 95.295 ( 0.000 0.640 4.763) 4.806 95.469 ( -0.000 -0.668 -2.938) 3.013 95.469 ( -0.000 -0.668 2.938) 3.013 96.114 ( 0.000 0.332 -10.807) 10.812 96.114 ( 0.000 0.332 10.807) 10.812 96.545 ( 0.000 0.175 -4.250) 4.253 96.545 ( 0.000 0.175 4.250) 4.253 97.044 ( 0.000 0.017 -7.258) 7.258 97.044 ( 0.000 0.017 7.258) 7.258 97.596 ( -0.000 -1.523 -4.591) 4.837 97.596 ( -0.000 -1.523 4.591) 4.837 99.638 ( -0.000 -2.023 -23.739) 23.825 99.638 ( -0.000 -2.023 23.739) 23.825 101.956 ( -0.000 -0.727 -14.925) 14.943 101.956 ( -0.000 -0.727 14.925) 14.943 102.632 ( -0.000 -0.084 -0.037) 0.092 102.632 ( -0.000 -0.084 0.037) 0.092 =================== 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 3/52488 10.0 37.573 55.977 42.563 0.000 0.000 0.000 3/52488 20.0 6.387 6.761 7.287 0.000 0.000 0.000 3/52488 30.0 2.969 2.625 3.583 0.000 0.000 0.000 3/52488 40.0 1.867 1.516 2.382 0.000 0.000 0.000 3/52488 50.0 1.358 1.049 1.797 0.000 0.000 0.000 3/52488 60.0 1.077 0.801 1.451 0.000 0.000 0.000 3/52488 70.0 0.903 0.651 1.223 0.000 0.000 0.000 3/52488 80.0 0.787 0.551 1.062 0.000 0.000 0.000 3/52488 90.0 0.704 0.479 0.941 0.000 0.000 0.000 3/52488 100.0 0.642 0.425 0.847 0.000 0.000 0.000 3/52488 110.0 0.594 0.383 0.772 0.000 0.000 0.000 3/52488 120.0 0.555 0.349 0.711 0.000 0.000 0.000 3/52488 130.0 0.522 0.321 0.659 0.000 0.000 0.000 3/52488 140.0 0.495 0.298 0.616 0.000 0.000 0.000 3/52488 150.0 0.471 0.278 0.579 0.000 0.000 0.000 3/52488 160.0 0.451 0.260 0.547 0.000 0.000 0.000 3/52488 170.0 0.432 0.245 0.518 0.000 0.000 0.000 3/52488 180.0 0.416 0.232 0.493 0.000 0.000 0.000 3/52488 190.0 0.401 0.220 0.471 0.000 0.000 0.000 3/52488 200.0 0.387 0.209 0.451 0.000 0.000 0.000 3/52488 210.0 0.374 0.200 0.432 0.000 0.000 0.000 3/52488 220.0 0.363 0.191 0.416 0.000 0.000 0.000 3/52488 230.0 0.352 0.183 0.401 0.000 0.000 0.000 3/52488 240.0 0.342 0.176 0.387 0.000 0.000 0.000 3/52488 250.0 0.332 0.169 0.374 0.000 0.000 0.000 3/52488 260.0 0.323 0.163 0.361 0.000 0.000 0.000 3/52488 270.0 0.314 0.157 0.350 0.000 0.000 0.000 3/52488 280.0 0.306 0.152 0.340 0.000 0.000 0.000 3/52488 290.0 0.299 0.147 0.330 0.000 0.000 0.000 3/52488 300.0 0.291 0.142 0.320 0.000 0.000 0.000 3/52488 310.0 0.284 0.137 0.312 0.000 0.000 0.000 3/52488 320.0 0.277 0.133 0.303 0.000 0.000 0.000 3/52488 330.0 0.271 0.129 0.295 0.000 0.000 0.000 3/52488 340.0 0.265 0.126 0.288 0.000 0.000 0.000 3/52488 350.0 0.259 0.122 0.281 0.000 0.000 0.000 3/52488 360.0 0.253 0.119 0.274 0.000 0.000 0.000 3/52488 370.0 0.248 0.116 0.268 0.000 0.000 0.000 3/52488 380.0 0.243 0.113 0.261 0.000 0.000 0.000 3/52488 390.0 0.238 0.110 0.255 0.000 0.000 0.000 3/52488 400.0 0.233 0.108 0.250 0.000 0.000 0.000 3/52488 410.0 0.228 0.105 0.244 0.000 0.000 0.000 3/52488 420.0 0.224 0.103 0.239 0.000 0.000 0.000 3/52488 430.0 0.219 0.100 0.234 0.000 0.000 0.000 3/52488 440.0 0.215 0.098 0.230 0.000 0.000 0.000 3/52488 450.0 0.211 0.096 0.225 0.000 0.000 0.000 3/52488 460.0 0.207 0.094 0.221 0.000 0.000 0.000 3/52488 470.0 0.204 0.092 0.216 0.000 0.000 0.000 3/52488 480.0 0.200 0.090 0.212 0.000 0.000 0.000 3/52488 490.0 0.197 0.088 0.208 0.000 0.000 0.000 3/52488 500.0 0.193 0.087 0.205 0.000 0.000 0.000 3/52488 510.0 0.190 0.085 0.201 0.000 0.000 0.000 3/52488 520.0 0.187 0.083 0.197 0.000 0.000 0.000 3/52488 530.0 0.184 0.082 0.194 0.000 0.000 0.000 3/52488 540.0 0.181 0.080 0.191 0.000 0.000 0.000 3/52488 550.0 0.178 0.079 0.188 0.000 0.000 0.000 3/52488 560.0 0.175 0.078 0.184 0.000 0.000 0.000 3/52488 570.0 0.172 0.076 0.182 0.000 0.000 0.000 3/52488 580.0 0.170 0.075 0.179 0.000 0.000 0.000 3/52488 590.0 0.167 0.074 0.176 0.000 0.000 0.000 3/52488 600.0 0.165 0.073 0.173 0.000 0.000 0.000 3/52488 610.0 0.162 0.071 0.170 0.000 0.000 0.000 3/52488 620.0 0.160 0.070 0.168 0.000 0.000 0.000 3/52488 630.0 0.158 0.069 0.165 0.000 0.000 0.000 3/52488 640.0 0.155 0.068 0.163 0.000 0.000 0.000 3/52488 650.0 0.153 0.067 0.161 0.000 0.000 0.000 3/52488 660.0 0.151 0.066 0.158 0.000 0.000 0.000 3/52488 670.0 0.149 0.065 0.156 0.000 0.000 0.000 3/52488 680.0 0.147 0.064 0.154 0.000 0.000 0.000 3/52488 690.0 0.145 0.063 0.152 0.000 0.000 0.000 3/52488 700.0 0.143 0.062 0.150 0.000 0.000 0.000 3/52488 710.0 0.142 0.062 0.148 0.000 0.000 0.000 3/52488 720.0 0.140 0.061 0.146 0.000 0.000 0.000 3/52488 730.0 0.138 0.060 0.144 0.000 0.000 0.000 3/52488 740.0 0.136 0.059 0.142 0.000 0.000 0.000 3/52488 750.0 0.135 0.058 0.141 0.000 0.000 0.000 3/52488 760.0 0.133 0.058 0.139 0.000 0.000 0.000 3/52488 770.0 0.132 0.057 0.137 0.000 0.000 0.000 3/52488 780.0 0.130 0.056 0.136 0.000 0.000 0.000 3/52488 790.0 0.128 0.055 0.134 0.000 0.000 0.000 3/52488 800.0 0.127 0.055 0.132 0.000 0.000 0.000 3/52488 810.0 0.126 0.054 0.131 0.000 0.000 0.000 3/52488 820.0 0.124 0.053 0.129 0.000 0.000 0.000 3/52488 830.0 0.123 0.053 0.128 0.000 0.000 0.000 3/52488 840.0 0.121 0.052 0.126 0.000 0.000 0.000 3/52488 850.0 0.120 0.052 0.125 0.000 0.000 0.000 3/52488 860.0 0.119 0.051 0.124 0.000 0.000 0.000 3/52488 870.0 0.118 0.050 0.122 0.000 0.000 0.000 3/52488 880.0 0.116 0.050 0.121 0.000 0.000 0.000 3/52488 890.0 0.115 0.049 0.120 0.000 0.000 0.000 3/52488 900.0 0.114 0.049 0.119 0.000 0.000 0.000 3/52488 910.0 0.113 0.048 0.117 0.000 0.000 0.000 3/52488 920.0 0.112 0.048 0.116 0.000 0.000 0.000 3/52488 930.0 0.111 0.047 0.115 0.000 0.000 0.000 3/52488 940.0 0.110 0.047 0.114 0.000 0.000 0.000 3/52488 950.0 0.108 0.046 0.113 0.000 0.000 0.000 3/52488 960.0 0.107 0.046 0.111 0.000 0.000 0.000 3/52488 970.0 0.106 0.045 0.110 0.000 0.000 0.000 3/52488 980.0 0.105 0.045 0.109 0.000 0.000 0.000 3/52488 990.0 0.104 0.044 0.108 0.000 0.000 0.000 3/52488 1000.0 0.103 0.044 0.107 0.000 0.000 0.000 3/52488 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:05:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|