----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:13:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.238165640318104 0.000000000000000 0.000000000000000 b 0.000000000000000 5.019537260000001 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): *1 Be 0.99941731989800 0.34311729742305 0.08724493913835 9.012 2 Be 0.00058268010200 0.65688270257695 0.91275506086165 9.012 3 Be 0.99941731989800 0.15688270257695 0.58724493913835 9.012 4 Be 0.00058268010200 0.84311729742305 0.41275506086165 9.012 *5 O 0.95435897833148 0.83031849282354 0.57424434038452 15.999 6 O 0.04564102166852 0.33031849282354 0.92575565961548 15.999 7 O 0.04564102166852 0.16968150717646 0.42575565961548 15.999 8 O 0.95435897833148 0.66968150717646 0.07424434038452 15.999 *9 O 0.18782806763924 0.68781727770797 0.37352638875702 15.999 10 O 0.18782806763924 0.81218272229203 0.87352638875702 15.999 11 O 0.81217193236076 0.18781727770797 0.12647361124298 15.999 12 O 0.81217193236076 0.31218272229203 0.62647361124298 15.999 *13 O 0.81420502986444 0.71836147951541 0.83040123679916 15.999 14 O 0.18579497013556 0.21836147951541 0.66959876320084 15.999 15 O 0.18579497013556 0.28163852048459 0.16959876320084 15.999 16 O 0.81420502986444 0.78163852048459 0.33040123679916 15.999 *17 O 0.55122380218588 0.76176972463289 0.12199670914131 15.999 18 O 0.44877619781411 0.26176972463289 0.37800329085869 15.999 19 O 0.44877619781411 0.23823027536711 0.87800329085869 15.999 20 O 0.55122380218588 0.73823027536711 0.62199670914131 15.999 *21 Na 0.50107460617862 0.79146358821356 0.39101299261371 22.990 22 Na 0.49892539382138 0.29146358821356 0.10898700738629 22.990 23 Na 0.49892539382138 0.20853641178644 0.60898700738629 22.990 24 Na 0.50107460617862 0.70853641178644 0.89101299261371 22.990 *25 Na 0.23873708352719 0.68277358664205 0.63833095682595 22.990 26 Na 0.76126291647280 0.18277358664205 0.86166904317405 22.990 27 Na 0.76126291647280 0.31722641335795 0.36166904317405 22.990 28 Na 0.23873708352719 0.81722641335795 0.13833095682595 22.990 *29 Ge 0.77892593854311 0.84407514806837 0.15977816074013 72.640 30 Ge 0.22107406145689 0.34407514806837 0.34022183925987 72.640 31 Ge 0.22107406145689 0.15592485193163 0.84022183925987 72.640 32 Ge 0.77892593854311 0.65592485193163 0.65977816074013 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.238165640318104 0.000000000000000 0.000000000000000 b 0.000000000000000 5.019537260000001 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): *1 Be 0.99941731989800 0.34311729742305 0.08724493913835 9.012 > 1 2 Be 0.00058268010200 0.65688270257695 0.91275506086165 9.012 > 2 3 Be 0.99941731989800 0.15688270257695 0.58724493913835 9.012 > 3 4 Be 0.00058268010200 0.84311729742305 0.41275506086165 9.012 > 4 *5 O 0.95435897833148 0.83031849282354 0.57424434038452 15.999 > 5 6 O 0.04564102166852 0.33031849282354 0.92575565961548 15.999 > 6 7 O 0.04564102166852 0.16968150717646 0.42575565961548 15.999 > 7 8 O 0.95435897833148 0.66968150717646 0.07424434038452 15.999 > 8 *9 O 0.18782806763924 0.68781727770797 0.37352638875702 15.999 > 9 10 O 0.18782806763924 0.81218272229203 0.87352638875702 15.999 > 10 11 O 0.81217193236076 0.18781727770797 0.12647361124298 15.999 > 11 12 O 0.81217193236076 0.31218272229203 0.62647361124298 15.999 > 12 *13 O 0.81420502986444 0.71836147951541 0.83040123679916 15.999 > 13 14 O 0.18579497013556 0.21836147951541 0.66959876320084 15.999 > 14 15 O 0.18579497013556 0.28163852048459 0.16959876320084 15.999 > 15 16 O 0.81420502986444 0.78163852048459 0.33040123679916 15.999 > 16 *17 O 0.55122380218588 0.76176972463289 0.12199670914131 15.999 > 17 18 O 0.44877619781411 0.26176972463289 0.37800329085869 15.999 > 18 19 O 0.44877619781411 0.23823027536711 0.87800329085869 15.999 > 19 20 O 0.55122380218588 0.73823027536711 0.62199670914131 15.999 > 20 *21 Na 0.50107460617862 0.79146358821356 0.39101299261371 22.990 > 21 22 Na 0.49892539382138 0.29146358821356 0.10898700738629 22.990 > 22 23 Na 0.49892539382138 0.20853641178644 0.60898700738629 22.990 > 23 24 Na 0.50107460617862 0.70853641178644 0.89101299261371 22.990 > 24 *25 Na 0.23873708352719 0.68277358664205 0.63833095682595 22.990 > 25 26 Na 0.76126291647280 0.18277358664205 0.86166904317405 22.990 > 26 27 Na 0.76126291647280 0.31722641335795 0.36166904317405 22.990 > 27 28 Na 0.23873708352719 0.81722641335795 0.13833095682595 22.990 > 28 *29 Ge 0.77892593854311 0.84407514806837 0.15977816074013 72.640 > 29 30 Ge 0.22107406145689 0.34407514806837 0.34022183925987 72.640 > 30 31 Ge 0.22107406145689 0.15592485193163 0.84022183925987 72.640 > 31 32 Ge 0.77892593854311 0.65592485193163 0.65977816074013 72.640 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.476331280636208 0.000000000000000 0.000000000000000 b 0.000000000000000 10.039074520000002 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): *1 Be 0.49970865994900 0.17155864871153 0.08724493913835 9.012 > 1 2 Be 0.99970865994900 0.17155864871153 0.08724493913835 9.012 > 1 3 Be 0.49970865994900 0.67155864871153 0.08724493913835 9.012 > 1 4 Be 0.99970865994900 0.67155864871153 0.08724493913835 9.012 > 1 5 Be 0.00029134005100 0.32844135128847 0.91275506086165 9.012 > 2 6 Be 0.50029134005100 0.32844135128847 0.91275506086165 9.012 > 2 7 Be 0.00029134005100 0.82844135128847 0.91275506086165 9.012 > 2 8 Be 0.50029134005100 0.82844135128847 0.91275506086165 9.012 > 2 9 Be 0.49970865994900 0.07844135128847 0.58724493913835 9.012 > 3 10 Be 0.99970865994900 0.07844135128847 0.58724493913835 9.012 > 3 11 Be 0.49970865994900 0.57844135128847 0.58724493913835 9.012 > 3 12 Be 0.99970865994900 0.57844135128847 0.58724493913835 9.012 > 3 13 Be 0.00029134005100 0.42155864871153 0.41275506086165 9.012 > 4 14 Be 0.50029134005100 0.42155864871153 0.41275506086165 9.012 > 4 15 Be 0.00029134005100 0.92155864871153 0.41275506086165 9.012 > 4 16 Be 0.50029134005100 0.92155864871153 0.41275506086165 9.012 > 4 *17 O 0.47717948916574 0.41515924641177 0.57424434038452 15.999 > 5 18 O 0.97717948916574 0.41515924641177 0.57424434038452 15.999 > 5 19 O 0.47717948916574 0.91515924641177 0.57424434038452 15.999 > 5 20 O 0.97717948916574 0.91515924641177 0.57424434038452 15.999 > 5 21 O 0.02282051083426 0.16515924641177 0.92575565961548 15.999 > 6 22 O 0.52282051083426 0.16515924641177 0.92575565961548 15.999 > 6 23 O 0.02282051083426 0.66515924641177 0.92575565961548 15.999 > 6 24 O 0.52282051083426 0.66515924641177 0.92575565961548 15.999 > 6 25 O 0.02282051083426 0.08484075358823 0.42575565961548 15.999 > 7 26 O 0.52282051083426 0.08484075358823 0.42575565961548 15.999 > 7 27 O 0.02282051083426 0.58484075358823 0.42575565961548 15.999 > 7 28 O 0.52282051083426 0.58484075358823 0.42575565961548 15.999 > 7 29 O 0.47717948916574 0.33484075358823 0.07424434038452 15.999 > 8 30 O 0.97717948916574 0.33484075358823 0.07424434038452 15.999 > 8 31 O 0.47717948916574 0.83484075358823 0.07424434038452 15.999 > 8 32 O 0.97717948916574 0.83484075358823 0.07424434038452 15.999 > 8 *33 O 0.09391403381962 0.34390863885399 0.37352638875702 15.999 > 9 34 O 0.59391403381962 0.34390863885399 0.37352638875702 15.999 > 9 35 O 0.09391403381962 0.84390863885399 0.37352638875702 15.999 > 9 36 O 0.59391403381962 0.84390863885399 0.37352638875702 15.999 > 9 37 O 0.09391403381962 0.40609136114601 0.87352638875702 15.999 > 10 38 O 0.59391403381962 0.40609136114601 0.87352638875702 15.999 > 10 39 O 0.09391403381962 0.90609136114601 0.87352638875702 15.999 > 10 40 O 0.59391403381962 0.90609136114601 0.87352638875702 15.999 > 10 41 O 0.40608596618038 0.09390863885399 0.12647361124298 15.999 > 11 42 O 0.90608596618038 0.09390863885399 0.12647361124298 15.999 > 11 43 O 0.40608596618038 0.59390863885399 0.12647361124298 15.999 > 11 44 O 0.90608596618038 0.59390863885399 0.12647361124298 15.999 > 11 45 O 0.40608596618038 0.15609136114601 0.62647361124298 15.999 > 12 46 O 0.90608596618038 0.15609136114601 0.62647361124298 15.999 > 12 47 O 0.40608596618038 0.65609136114601 0.62647361124298 15.999 > 12 48 O 0.90608596618038 0.65609136114601 0.62647361124298 15.999 > 12 *49 O 0.40710251493222 0.35918073975770 0.83040123679916 15.999 > 13 50 O 0.90710251493222 0.35918073975770 0.83040123679916 15.999 > 13 51 O 0.40710251493222 0.85918073975770 0.83040123679916 15.999 > 13 52 O 0.90710251493222 0.85918073975770 0.83040123679916 15.999 > 13 53 O 0.09289748506778 0.10918073975770 0.66959876320084 15.999 > 14 54 O 0.59289748506778 0.10918073975770 0.66959876320084 15.999 > 14 55 O 0.09289748506778 0.60918073975770 0.66959876320084 15.999 > 14 56 O 0.59289748506778 0.60918073975770 0.66959876320084 15.999 > 14 57 O 0.09289748506778 0.14081926024230 0.16959876320084 15.999 > 15 58 O 0.59289748506778 0.14081926024230 0.16959876320084 15.999 > 15 59 O 0.09289748506778 0.64081926024230 0.16959876320084 15.999 > 15 60 O 0.59289748506778 0.64081926024230 0.16959876320084 15.999 > 15 61 O 0.40710251493222 0.39081926024230 0.33040123679916 15.999 > 16 62 O 0.90710251493222 0.39081926024230 0.33040123679916 15.999 > 16 63 O 0.40710251493222 0.89081926024230 0.33040123679916 15.999 > 16 64 O 0.90710251493222 0.89081926024230 0.33040123679916 15.999 > 16 *65 O 0.27561190109294 0.38088486231645 0.12199670914131 15.999 > 17 66 O 0.77561190109294 0.38088486231645 0.12199670914131 15.999 > 17 67 O 0.27561190109294 0.88088486231645 0.12199670914131 15.999 > 17 68 O 0.77561190109294 0.88088486231645 0.12199670914131 15.999 > 17 69 O 0.22438809890706 0.13088486231645 0.37800329085869 15.999 > 18 70 O 0.72438809890706 0.13088486231645 0.37800329085869 15.999 > 18 71 O 0.22438809890706 0.63088486231645 0.37800329085869 15.999 > 18 72 O 0.72438809890706 0.63088486231645 0.37800329085869 15.999 > 18 73 O 0.22438809890706 0.11911513768355 0.87800329085869 15.999 > 19 74 O 0.72438809890706 0.11911513768355 0.87800329085869 15.999 > 19 75 O 0.22438809890706 0.61911513768355 0.87800329085869 15.999 > 19 76 O 0.72438809890706 0.61911513768355 0.87800329085869 15.999 > 19 77 O 0.27561190109294 0.36911513768355 0.62199670914131 15.999 > 20 78 O 0.77561190109294 0.36911513768355 0.62199670914131 15.999 > 20 79 O 0.27561190109294 0.86911513768355 0.62199670914131 15.999 > 20 80 O 0.77561190109294 0.86911513768355 0.62199670914131 15.999 > 20 *81 Na 0.25053730308931 0.39573179410678 0.39101299261371 22.990 > 21 82 Na 0.75053730308931 0.39573179410678 0.39101299261371 22.990 > 21 83 Na 0.25053730308931 0.89573179410678 0.39101299261371 22.990 > 21 84 Na 0.75053730308931 0.89573179410678 0.39101299261371 22.990 > 21 85 Na 0.24946269691069 0.14573179410678 0.10898700738629 22.990 > 22 86 Na 0.74946269691069 0.14573179410678 0.10898700738629 22.990 > 22 87 Na 0.24946269691069 0.64573179410678 0.10898700738629 22.990 > 22 88 Na 0.74946269691069 0.64573179410678 0.10898700738629 22.990 > 22 89 Na 0.24946269691069 0.10426820589322 0.60898700738629 22.990 > 23 90 Na 0.74946269691069 0.10426820589322 0.60898700738629 22.990 > 23 91 Na 0.24946269691069 0.60426820589322 0.60898700738629 22.990 > 23 92 Na 0.74946269691069 0.60426820589322 0.60898700738629 22.990 > 23 93 Na 0.25053730308931 0.35426820589322 0.89101299261371 22.990 > 24 94 Na 0.75053730308931 0.35426820589322 0.89101299261371 22.990 > 24 95 Na 0.25053730308931 0.85426820589322 0.89101299261371 22.990 > 24 96 Na 0.75053730308931 0.85426820589322 0.89101299261371 22.990 > 24 *97 Na 0.11936854176360 0.34138679332102 0.63833095682595 22.990 > 25 98 Na 0.61936854176360 0.34138679332102 0.63833095682595 22.990 > 25 99 Na 0.11936854176360 0.84138679332102 0.63833095682595 22.990 > 25 100 Na 0.61936854176360 0.84138679332102 0.63833095682595 22.990 > 25 101 Na 0.38063145823640 0.09138679332102 0.86166904317405 22.990 > 26 102 Na 0.88063145823640 0.09138679332102 0.86166904317405 22.990 > 26 103 Na 0.38063145823640 0.59138679332102 0.86166904317405 22.990 > 26 104 Na 0.88063145823640 0.59138679332102 0.86166904317405 22.990 > 26 105 Na 0.38063145823640 0.15861320667898 0.36166904317405 22.990 > 27 106 Na 0.88063145823640 0.15861320667898 0.36166904317405 22.990 > 27 107 Na 0.38063145823640 0.65861320667898 0.36166904317405 22.990 > 27 108 Na 0.88063145823640 0.65861320667898 0.36166904317405 22.990 > 27 109 Na 0.11936854176360 0.40861320667898 0.13833095682595 22.990 > 28 110 Na 0.61936854176360 0.40861320667898 0.13833095682595 22.990 > 28 111 Na 0.11936854176360 0.90861320667898 0.13833095682595 22.990 > 28 112 Na 0.61936854176360 0.90861320667898 0.13833095682595 22.990 > 28 *113 Ge 0.38946296927156 0.42203757403418 0.15977816074013 72.640 > 29 114 Ge 0.88946296927156 0.42203757403418 0.15977816074013 72.640 > 29 115 Ge 0.38946296927156 0.92203757403418 0.15977816074013 72.640 > 29 116 Ge 0.88946296927156 0.92203757403418 0.15977816074013 72.640 > 29 117 Ge 0.11053703072844 0.17203757403418 0.34022183925987 72.640 > 30 118 Ge 0.61053703072844 0.17203757403418 0.34022183925987 72.640 > 30 119 Ge 0.11053703072844 0.67203757403418 0.34022183925987 72.640 > 30 120 Ge 0.61053703072844 0.67203757403418 0.34022183925987 72.640 > 30 121 Ge 0.11053703072844 0.07796242596582 0.84022183925987 72.640 > 31 122 Ge 0.61053703072844 0.07796242596582 0.84022183925987 72.640 > 31 123 Ge 0.11053703072844 0.57796242596582 0.84022183925987 72.640 > 31 124 Ge 0.61053703072844 0.57796242596582 0.84022183925987 72.640 > 31 125 Ge 0.38946296927156 0.32796242596582 0.65977816074013 72.640 > 32 126 Ge 0.88946296927156 0.32796242596582 0.65977816074013 72.640 > 32 127 Ge 0.38946296927156 0.82796242596582 0.65977816074013 72.640 > 32 128 Ge 0.88946296927156 0.82796242596582 0.65977816074013 72.640 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8418098 0.0000000 -0.0270161 0.0000000 2.8936717 0.0000000 -0.0270176 0.0000000 2.8797348 -------------------------- Born effective charges -------------------------- 1 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 2 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 3 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 4 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 5 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 6 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 7 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 8 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 9 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 10 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 11 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 12 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 13 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 14 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 15 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 16 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 17 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 18 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 19 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 20 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 21 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 22 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 23 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 24 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 25 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 26 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 27 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 28 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 29 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 30 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 31 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 32 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 13), data: (1024, 29) @ (29, 13) |-- (524, 511), data: False |-- (524, 10), data: (524, 23) @ (23, 10) |-- (274, 261), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 13), data: (1024, 29) @ (29, 13) |-- (524, 511), data: False |-- (524, 10), data: (524, 23) @ (23, 10) |-- (274, 261), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.522 Solver_block: 200 / 960 - Time: 1.337 Solver_block: 300 / 960 - Time: 1.342 Solver_block: 400 / 960 - Time: 1.331 Solver_block: 500 / 960 - Time: 1.274 Solver_block: 600 / 960 - Time: 1.241 Solver_block: 700 / 960 - Time: 1.475 Solver_block: 800 / 960 - Time: 1.329 Solver_block: 900 / 960 - Time: 1.334 Solver_block: 960 / 960 - Time: 0.863 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.566 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 511 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 13), data: (1024, 29) @ (29, 13) |-- (524, 511), data: False |-- (524, 10), data: (524, 23) @ (23, 10) |-- (274, 261), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 13), data: (1024, 29) @ (29, 13) |-- (524, 511), data: False |-- (524, 10), data: (524, 23) @ (23, 10) |-- (274, 261), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:15:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:15:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.238165640318104 0.000000000000000 0.000000000000000 b 0.000000000000000 5.019537260000001 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): 1 Be 0.99941731989800 0.34311729742305 0.08724493913835 9.012 2 Be 0.00058268010200 0.65688270257695 0.91275506086165 9.012 3 Be 0.99941731989800 0.15688270257695 0.58724493913835 9.012 4 Be 0.00058268010200 0.84311729742305 0.41275506086165 9.012 5 O 0.95435897833148 0.83031849282354 0.57424434038452 15.999 6 O 0.04564102166852 0.33031849282354 0.92575565961548 15.999 7 O 0.04564102166852 0.16968150717646 0.42575565961548 15.999 8 O 0.95435897833148 0.66968150717646 0.07424434038452 15.999 9 O 0.18782806763924 0.68781727770797 0.37352638875702 15.999 10 O 0.18782806763924 0.81218272229203 0.87352638875702 15.999 11 O 0.81217193236076 0.18781727770797 0.12647361124298 15.999 12 O 0.81217193236076 0.31218272229203 0.62647361124298 15.999 13 O 0.81420502986444 0.71836147951541 0.83040123679916 15.999 14 O 0.18579497013556 0.21836147951541 0.66959876320084 15.999 15 O 0.18579497013556 0.28163852048459 0.16959876320084 15.999 16 O 0.81420502986444 0.78163852048459 0.33040123679916 15.999 17 O 0.55122380218588 0.76176972463289 0.12199670914131 15.999 18 O 0.44877619781411 0.26176972463289 0.37800329085869 15.999 19 O 0.44877619781411 0.23823027536711 0.87800329085869 15.999 20 O 0.55122380218588 0.73823027536711 0.62199670914131 15.999 21 Na 0.50107460617862 0.79146358821356 0.39101299261371 22.990 22 Na 0.49892539382138 0.29146358821356 0.10898700738629 22.990 23 Na 0.49892539382138 0.20853641178644 0.60898700738629 22.990 24 Na 0.50107460617862 0.70853641178644 0.89101299261371 22.990 25 Na 0.23873708352719 0.68277358664205 0.63833095682595 22.990 26 Na 0.76126291647280 0.18277358664205 0.86166904317405 22.990 27 Na 0.76126291647280 0.31722641335795 0.36166904317405 22.990 28 Na 0.23873708352719 0.81722641335795 0.13833095682595 22.990 29 Ge 0.77892593854311 0.84407514806837 0.15977816074013 72.640 30 Ge 0.22107406145689 0.34407514806837 0.34022183925987 72.640 31 Ge 0.22107406145689 0.15592485193163 0.84022183925987 72.640 32 Ge 0.77892593854311 0.65592485193163 0.65977816074013 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.476331280636208 0.000000000000000 0.000000000000000 b 0.000000000000000 10.039074520000002 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): 1 Be 0.49970865994900 0.17155864871153 0.08724493913835 9.012 > 1 2 Be 0.99970865994900 0.17155864871153 0.08724493913835 9.012 > 1 3 Be 0.49970865994900 0.67155864871153 0.08724493913835 9.012 > 1 4 Be 0.99970865994900 0.67155864871153 0.08724493913835 9.012 > 1 5 Be 0.00029134005100 0.32844135128847 0.91275506086165 9.012 > 5 6 Be 0.50029134005100 0.32844135128847 0.91275506086165 9.012 > 5 7 Be 0.00029134005100 0.82844135128847 0.91275506086165 9.012 > 5 8 Be 0.50029134005100 0.82844135128847 0.91275506086165 9.012 > 5 9 Be 0.49970865994900 0.07844135128847 0.58724493913835 9.012 > 9 10 Be 0.99970865994900 0.07844135128847 0.58724493913835 9.012 > 9 11 Be 0.49970865994900 0.57844135128847 0.58724493913835 9.012 > 9 12 Be 0.99970865994900 0.57844135128847 0.58724493913835 9.012 > 9 13 Be 0.00029134005100 0.42155864871153 0.41275506086165 9.012 > 13 14 Be 0.50029134005100 0.42155864871153 0.41275506086165 9.012 > 13 15 Be 0.00029134005100 0.92155864871153 0.41275506086165 9.012 > 13 16 Be 0.50029134005100 0.92155864871153 0.41275506086165 9.012 > 13 17 O 0.47717948916574 0.41515924641177 0.57424434038452 15.999 > 17 18 O 0.97717948916574 0.41515924641177 0.57424434038452 15.999 > 17 19 O 0.47717948916574 0.91515924641177 0.57424434038452 15.999 > 17 20 O 0.97717948916574 0.91515924641177 0.57424434038452 15.999 > 17 21 O 0.02282051083426 0.16515924641177 0.92575565961548 15.999 > 21 22 O 0.52282051083426 0.16515924641177 0.92575565961548 15.999 > 21 23 O 0.02282051083426 0.66515924641177 0.92575565961548 15.999 > 21 24 O 0.52282051083426 0.66515924641177 0.92575565961548 15.999 > 21 25 O 0.02282051083426 0.08484075358823 0.42575565961548 15.999 > 25 26 O 0.52282051083426 0.08484075358823 0.42575565961548 15.999 > 25 27 O 0.02282051083426 0.58484075358823 0.42575565961548 15.999 > 25 28 O 0.52282051083426 0.58484075358823 0.42575565961548 15.999 > 25 29 O 0.47717948916574 0.33484075358823 0.07424434038452 15.999 > 29 30 O 0.97717948916574 0.33484075358823 0.07424434038452 15.999 > 29 31 O 0.47717948916574 0.83484075358823 0.07424434038452 15.999 > 29 32 O 0.97717948916574 0.83484075358823 0.07424434038452 15.999 > 29 33 O 0.09391403381962 0.34390863885399 0.37352638875702 15.999 > 33 34 O 0.59391403381962 0.34390863885399 0.37352638875702 15.999 > 33 35 O 0.09391403381962 0.84390863885399 0.37352638875702 15.999 > 33 36 O 0.59391403381962 0.84390863885399 0.37352638875702 15.999 > 33 37 O 0.09391403381962 0.40609136114601 0.87352638875702 15.999 > 37 38 O 0.59391403381962 0.40609136114601 0.87352638875702 15.999 > 37 39 O 0.09391403381962 0.90609136114601 0.87352638875702 15.999 > 37 40 O 0.59391403381962 0.90609136114601 0.87352638875702 15.999 > 37 41 O 0.40608596618038 0.09390863885399 0.12647361124298 15.999 > 41 42 O 0.90608596618038 0.09390863885399 0.12647361124298 15.999 > 41 43 O 0.40608596618038 0.59390863885399 0.12647361124298 15.999 > 41 44 O 0.90608596618038 0.59390863885399 0.12647361124298 15.999 > 41 45 O 0.40608596618038 0.15609136114601 0.62647361124298 15.999 > 45 46 O 0.90608596618038 0.15609136114601 0.62647361124298 15.999 > 45 47 O 0.40608596618038 0.65609136114601 0.62647361124298 15.999 > 45 48 O 0.90608596618038 0.65609136114601 0.62647361124298 15.999 > 45 49 O 0.40710251493222 0.35918073975770 0.83040123679916 15.999 > 49 50 O 0.90710251493222 0.35918073975770 0.83040123679916 15.999 > 49 51 O 0.40710251493222 0.85918073975770 0.83040123679916 15.999 > 49 52 O 0.90710251493222 0.85918073975770 0.83040123679916 15.999 > 49 53 O 0.09289748506778 0.10918073975770 0.66959876320084 15.999 > 53 54 O 0.59289748506778 0.10918073975770 0.66959876320084 15.999 > 53 55 O 0.09289748506778 0.60918073975770 0.66959876320084 15.999 > 53 56 O 0.59289748506778 0.60918073975770 0.66959876320084 15.999 > 53 57 O 0.09289748506778 0.14081926024230 0.16959876320084 15.999 > 57 58 O 0.59289748506778 0.14081926024230 0.16959876320084 15.999 > 57 59 O 0.09289748506778 0.64081926024230 0.16959876320084 15.999 > 57 60 O 0.59289748506778 0.64081926024230 0.16959876320084 15.999 > 57 61 O 0.40710251493222 0.39081926024230 0.33040123679916 15.999 > 61 62 O 0.90710251493222 0.39081926024230 0.33040123679916 15.999 > 61 63 O 0.40710251493222 0.89081926024230 0.33040123679916 15.999 > 61 64 O 0.90710251493222 0.89081926024230 0.33040123679916 15.999 > 61 65 O 0.27561190109294 0.38088486231645 0.12199670914131 15.999 > 65 66 O 0.77561190109294 0.38088486231645 0.12199670914131 15.999 > 65 67 O 0.27561190109294 0.88088486231645 0.12199670914131 15.999 > 65 68 O 0.77561190109294 0.88088486231645 0.12199670914131 15.999 > 65 69 O 0.22438809890706 0.13088486231645 0.37800329085869 15.999 > 69 70 O 0.72438809890706 0.13088486231645 0.37800329085869 15.999 > 69 71 O 0.22438809890706 0.63088486231645 0.37800329085869 15.999 > 69 72 O 0.72438809890706 0.63088486231645 0.37800329085869 15.999 > 69 73 O 0.22438809890706 0.11911513768355 0.87800329085869 15.999 > 73 74 O 0.72438809890706 0.11911513768355 0.87800329085869 15.999 > 73 75 O 0.22438809890706 0.61911513768355 0.87800329085869 15.999 > 73 76 O 0.72438809890706 0.61911513768355 0.87800329085869 15.999 > 73 77 O 0.27561190109294 0.36911513768355 0.62199670914131 15.999 > 77 78 O 0.77561190109294 0.36911513768355 0.62199670914131 15.999 > 77 79 O 0.27561190109294 0.86911513768355 0.62199670914131 15.999 > 77 80 O 0.77561190109294 0.86911513768355 0.62199670914131 15.999 > 77 81 Na 0.25053730308931 0.39573179410678 0.39101299261371 22.990 > 81 82 Na 0.75053730308931 0.39573179410678 0.39101299261371 22.990 > 81 83 Na 0.25053730308931 0.89573179410678 0.39101299261371 22.990 > 81 84 Na 0.75053730308931 0.89573179410678 0.39101299261371 22.990 > 81 85 Na 0.24946269691069 0.14573179410678 0.10898700738629 22.990 > 85 86 Na 0.74946269691069 0.14573179410678 0.10898700738629 22.990 > 85 87 Na 0.24946269691069 0.64573179410678 0.10898700738629 22.990 > 85 88 Na 0.74946269691069 0.64573179410678 0.10898700738629 22.990 > 85 89 Na 0.24946269691069 0.10426820589322 0.60898700738629 22.990 > 89 90 Na 0.74946269691069 0.10426820589322 0.60898700738629 22.990 > 89 91 Na 0.24946269691069 0.60426820589322 0.60898700738629 22.990 > 89 92 Na 0.74946269691069 0.60426820589322 0.60898700738629 22.990 > 89 93 Na 0.25053730308931 0.35426820589322 0.89101299261371 22.990 > 93 94 Na 0.75053730308931 0.35426820589322 0.89101299261371 22.990 > 93 95 Na 0.25053730308931 0.85426820589322 0.89101299261371 22.990 > 93 96 Na 0.75053730308931 0.85426820589322 0.89101299261371 22.990 > 93 97 Na 0.11936854176360 0.34138679332102 0.63833095682595 22.990 > 97 98 Na 0.61936854176360 0.34138679332102 0.63833095682595 22.990 > 97 99 Na 0.11936854176360 0.84138679332102 0.63833095682595 22.990 > 97 100 Na 0.61936854176360 0.84138679332102 0.63833095682595 22.990 > 97 101 Na 0.38063145823640 0.09138679332102 0.86166904317405 22.990 > 101 102 Na 0.88063145823640 0.09138679332102 0.86166904317405 22.990 > 101 103 Na 0.38063145823640 0.59138679332102 0.86166904317405 22.990 > 101 104 Na 0.88063145823640 0.59138679332102 0.86166904317405 22.990 > 101 105 Na 0.38063145823640 0.15861320667898 0.36166904317405 22.990 > 105 106 Na 0.88063145823640 0.15861320667898 0.36166904317405 22.990 > 105 107 Na 0.38063145823640 0.65861320667898 0.36166904317405 22.990 > 105 108 Na 0.88063145823640 0.65861320667898 0.36166904317405 22.990 > 105 109 Na 0.11936854176360 0.40861320667898 0.13833095682595 22.990 > 109 110 Na 0.61936854176360 0.40861320667898 0.13833095682595 22.990 > 109 111 Na 0.11936854176360 0.90861320667898 0.13833095682595 22.990 > 109 112 Na 0.61936854176360 0.90861320667898 0.13833095682595 22.990 > 109 113 Ge 0.38946296927156 0.42203757403418 0.15977816074013 72.640 > 113 114 Ge 0.88946296927156 0.42203757403418 0.15977816074013 72.640 > 113 115 Ge 0.38946296927156 0.92203757403418 0.15977816074013 72.640 > 113 116 Ge 0.88946296927156 0.92203757403418 0.15977816074013 72.640 > 113 117 Ge 0.11053703072844 0.17203757403418 0.34022183925987 72.640 > 117 118 Ge 0.61053703072844 0.17203757403418 0.34022183925987 72.640 > 117 119 Ge 0.11053703072844 0.67203757403418 0.34022183925987 72.640 > 117 120 Ge 0.61053703072844 0.67203757403418 0.34022183925987 72.640 > 117 121 Ge 0.11053703072844 0.07796242596582 0.84022183925987 72.640 > 121 122 Ge 0.61053703072844 0.07796242596582 0.84022183925987 72.640 > 121 123 Ge 0.11053703072844 0.57796242596582 0.84022183925987 72.640 > 121 124 Ge 0.61053703072844 0.57796242596582 0.84022183925987 72.640 > 121 125 Ge 0.38946296927156 0.32796242596582 0.65977816074013 72.640 > 125 126 Ge 0.88946296927156 0.32796242596582 0.65977816074013 72.640 > 125 127 Ge 0.38946296927156 0.82796242596582 0.65977816074013 72.640 > 125 128 Ge 0.88946296927156 0.82796242596582 0.65977816074013 72.640 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8418098 0.0000000 -0.0270161 0.0000000 2.8936717 0.0000000 -0.0270176 0.0000000 2.8797348 -------------------------- Born effective charges -------------------------- 1 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 2 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 3 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 4 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 5 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 6 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 7 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 8 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 9 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 10 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 11 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 12 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 13 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 14 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 15 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 16 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 17 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 18 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 19 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 20 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 21 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 22 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 23 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 24 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 25 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 26 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 27 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 28 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 29 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 30 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 31 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 32 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 04:15:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:15:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.238165640318104 0.000000000000000 0.000000000000000 b 0.000000000000000 5.019537260000001 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): 1 Be 0.99941731989800 0.34311729742305 0.08724493913835 9.012 2 Be 0.00058268010200 0.65688270257695 0.91275506086165 9.012 3 Be 0.99941731989800 0.15688270257695 0.58724493913835 9.012 4 Be 0.00058268010200 0.84311729742305 0.41275506086165 9.012 5 O 0.95435897833148 0.83031849282354 0.57424434038452 15.999 6 O 0.04564102166852 0.33031849282354 0.92575565961548 15.999 7 O 0.04564102166852 0.16968150717646 0.42575565961548 15.999 8 O 0.95435897833148 0.66968150717646 0.07424434038452 15.999 9 O 0.18782806763924 0.68781727770797 0.37352638875702 15.999 10 O 0.18782806763924 0.81218272229203 0.87352638875702 15.999 11 O 0.81217193236076 0.18781727770797 0.12647361124298 15.999 12 O 0.81217193236076 0.31218272229203 0.62647361124298 15.999 13 O 0.81420502986444 0.71836147951541 0.83040123679916 15.999 14 O 0.18579497013556 0.21836147951541 0.66959876320084 15.999 15 O 0.18579497013556 0.28163852048459 0.16959876320084 15.999 16 O 0.81420502986444 0.78163852048459 0.33040123679916 15.999 17 O 0.55122380218588 0.76176972463289 0.12199670914131 15.999 18 O 0.44877619781411 0.26176972463289 0.37800329085869 15.999 19 O 0.44877619781411 0.23823027536711 0.87800329085869 15.999 20 O 0.55122380218588 0.73823027536711 0.62199670914131 15.999 21 Na 0.50107460617862 0.79146358821356 0.39101299261371 22.990 22 Na 0.49892539382138 0.29146358821356 0.10898700738629 22.990 23 Na 0.49892539382138 0.20853641178644 0.60898700738629 22.990 24 Na 0.50107460617862 0.70853641178644 0.89101299261371 22.990 25 Na 0.23873708352719 0.68277358664205 0.63833095682595 22.990 26 Na 0.76126291647280 0.18277358664205 0.86166904317405 22.990 27 Na 0.76126291647280 0.31722641335795 0.36166904317405 22.990 28 Na 0.23873708352719 0.81722641335795 0.13833095682595 22.990 29 Ge 0.77892593854311 0.84407514806837 0.15977816074013 72.640 30 Ge 0.22107406145689 0.34407514806837 0.34022183925987 72.640 31 Ge 0.22107406145689 0.15592485193163 0.84022183925987 72.640 32 Ge 0.77892593854311 0.65592485193163 0.65977816074013 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.476331280636208 0.000000000000000 0.000000000000000 b 0.000000000000000 10.039074520000002 0.000000000000000 c -0.066555745457170 0.000000000000000 10.131453746464944 Atomic positions (fractional): 1 Be 0.49970865994900 0.17155864871153 0.08724493913835 9.012 > 1 2 Be 0.99970865994900 0.17155864871153 0.08724493913835 9.012 > 1 3 Be 0.49970865994900 0.67155864871153 0.08724493913835 9.012 > 1 4 Be 0.99970865994900 0.67155864871153 0.08724493913835 9.012 > 1 5 Be 0.00029134005100 0.32844135128847 0.91275506086165 9.012 > 5 6 Be 0.50029134005100 0.32844135128847 0.91275506086165 9.012 > 5 7 Be 0.00029134005100 0.82844135128847 0.91275506086165 9.012 > 5 8 Be 0.50029134005100 0.82844135128847 0.91275506086165 9.012 > 5 9 Be 0.49970865994900 0.07844135128847 0.58724493913835 9.012 > 9 10 Be 0.99970865994900 0.07844135128847 0.58724493913835 9.012 > 9 11 Be 0.49970865994900 0.57844135128847 0.58724493913835 9.012 > 9 12 Be 0.99970865994900 0.57844135128847 0.58724493913835 9.012 > 9 13 Be 0.00029134005100 0.42155864871153 0.41275506086165 9.012 > 13 14 Be 0.50029134005100 0.42155864871153 0.41275506086165 9.012 > 13 15 Be 0.00029134005100 0.92155864871153 0.41275506086165 9.012 > 13 16 Be 0.50029134005100 0.92155864871153 0.41275506086165 9.012 > 13 17 O 0.47717948916574 0.41515924641177 0.57424434038452 15.999 > 17 18 O 0.97717948916574 0.41515924641177 0.57424434038452 15.999 > 17 19 O 0.47717948916574 0.91515924641177 0.57424434038452 15.999 > 17 20 O 0.97717948916574 0.91515924641177 0.57424434038452 15.999 > 17 21 O 0.02282051083426 0.16515924641177 0.92575565961548 15.999 > 21 22 O 0.52282051083426 0.16515924641177 0.92575565961548 15.999 > 21 23 O 0.02282051083426 0.66515924641177 0.92575565961548 15.999 > 21 24 O 0.52282051083426 0.66515924641177 0.92575565961548 15.999 > 21 25 O 0.02282051083426 0.08484075358823 0.42575565961548 15.999 > 25 26 O 0.52282051083426 0.08484075358823 0.42575565961548 15.999 > 25 27 O 0.02282051083426 0.58484075358823 0.42575565961548 15.999 > 25 28 O 0.52282051083426 0.58484075358823 0.42575565961548 15.999 > 25 29 O 0.47717948916574 0.33484075358823 0.07424434038452 15.999 > 29 30 O 0.97717948916574 0.33484075358823 0.07424434038452 15.999 > 29 31 O 0.47717948916574 0.83484075358823 0.07424434038452 15.999 > 29 32 O 0.97717948916574 0.83484075358823 0.07424434038452 15.999 > 29 33 O 0.09391403381962 0.34390863885399 0.37352638875702 15.999 > 33 34 O 0.59391403381962 0.34390863885399 0.37352638875702 15.999 > 33 35 O 0.09391403381962 0.84390863885399 0.37352638875702 15.999 > 33 36 O 0.59391403381962 0.84390863885399 0.37352638875702 15.999 > 33 37 O 0.09391403381962 0.40609136114601 0.87352638875702 15.999 > 37 38 O 0.59391403381962 0.40609136114601 0.87352638875702 15.999 > 37 39 O 0.09391403381962 0.90609136114601 0.87352638875702 15.999 > 37 40 O 0.59391403381962 0.90609136114601 0.87352638875702 15.999 > 37 41 O 0.40608596618038 0.09390863885399 0.12647361124298 15.999 > 41 42 O 0.90608596618038 0.09390863885399 0.12647361124298 15.999 > 41 43 O 0.40608596618038 0.59390863885399 0.12647361124298 15.999 > 41 44 O 0.90608596618038 0.59390863885399 0.12647361124298 15.999 > 41 45 O 0.40608596618038 0.15609136114601 0.62647361124298 15.999 > 45 46 O 0.90608596618038 0.15609136114601 0.62647361124298 15.999 > 45 47 O 0.40608596618038 0.65609136114601 0.62647361124298 15.999 > 45 48 O 0.90608596618038 0.65609136114601 0.62647361124298 15.999 > 45 49 O 0.40710251493222 0.35918073975770 0.83040123679916 15.999 > 49 50 O 0.90710251493222 0.35918073975770 0.83040123679916 15.999 > 49 51 O 0.40710251493222 0.85918073975770 0.83040123679916 15.999 > 49 52 O 0.90710251493222 0.85918073975770 0.83040123679916 15.999 > 49 53 O 0.09289748506778 0.10918073975770 0.66959876320084 15.999 > 53 54 O 0.59289748506778 0.10918073975770 0.66959876320084 15.999 > 53 55 O 0.09289748506778 0.60918073975770 0.66959876320084 15.999 > 53 56 O 0.59289748506778 0.60918073975770 0.66959876320084 15.999 > 53 57 O 0.09289748506778 0.14081926024230 0.16959876320084 15.999 > 57 58 O 0.59289748506778 0.14081926024230 0.16959876320084 15.999 > 57 59 O 0.09289748506778 0.64081926024230 0.16959876320084 15.999 > 57 60 O 0.59289748506778 0.64081926024230 0.16959876320084 15.999 > 57 61 O 0.40710251493222 0.39081926024230 0.33040123679916 15.999 > 61 62 O 0.90710251493222 0.39081926024230 0.33040123679916 15.999 > 61 63 O 0.40710251493222 0.89081926024230 0.33040123679916 15.999 > 61 64 O 0.90710251493222 0.89081926024230 0.33040123679916 15.999 > 61 65 O 0.27561190109294 0.38088486231645 0.12199670914131 15.999 > 65 66 O 0.77561190109294 0.38088486231645 0.12199670914131 15.999 > 65 67 O 0.27561190109294 0.88088486231645 0.12199670914131 15.999 > 65 68 O 0.77561190109294 0.88088486231645 0.12199670914131 15.999 > 65 69 O 0.22438809890706 0.13088486231645 0.37800329085869 15.999 > 69 70 O 0.72438809890706 0.13088486231645 0.37800329085869 15.999 > 69 71 O 0.22438809890706 0.63088486231645 0.37800329085869 15.999 > 69 72 O 0.72438809890706 0.63088486231645 0.37800329085869 15.999 > 69 73 O 0.22438809890706 0.11911513768355 0.87800329085869 15.999 > 73 74 O 0.72438809890706 0.11911513768355 0.87800329085869 15.999 > 73 75 O 0.22438809890706 0.61911513768355 0.87800329085869 15.999 > 73 76 O 0.72438809890706 0.61911513768355 0.87800329085869 15.999 > 73 77 O 0.27561190109294 0.36911513768355 0.62199670914131 15.999 > 77 78 O 0.77561190109294 0.36911513768355 0.62199670914131 15.999 > 77 79 O 0.27561190109294 0.86911513768355 0.62199670914131 15.999 > 77 80 O 0.77561190109294 0.86911513768355 0.62199670914131 15.999 > 77 81 Na 0.25053730308931 0.39573179410678 0.39101299261371 22.990 > 81 82 Na 0.75053730308931 0.39573179410678 0.39101299261371 22.990 > 81 83 Na 0.25053730308931 0.89573179410678 0.39101299261371 22.990 > 81 84 Na 0.75053730308931 0.89573179410678 0.39101299261371 22.990 > 81 85 Na 0.24946269691069 0.14573179410678 0.10898700738629 22.990 > 85 86 Na 0.74946269691069 0.14573179410678 0.10898700738629 22.990 > 85 87 Na 0.24946269691069 0.64573179410678 0.10898700738629 22.990 > 85 88 Na 0.74946269691069 0.64573179410678 0.10898700738629 22.990 > 85 89 Na 0.24946269691069 0.10426820589322 0.60898700738629 22.990 > 89 90 Na 0.74946269691069 0.10426820589322 0.60898700738629 22.990 > 89 91 Na 0.24946269691069 0.60426820589322 0.60898700738629 22.990 > 89 92 Na 0.74946269691069 0.60426820589322 0.60898700738629 22.990 > 89 93 Na 0.25053730308931 0.35426820589322 0.89101299261371 22.990 > 93 94 Na 0.75053730308931 0.35426820589322 0.89101299261371 22.990 > 93 95 Na 0.25053730308931 0.85426820589322 0.89101299261371 22.990 > 93 96 Na 0.75053730308931 0.85426820589322 0.89101299261371 22.990 > 93 97 Na 0.11936854176360 0.34138679332102 0.63833095682595 22.990 > 97 98 Na 0.61936854176360 0.34138679332102 0.63833095682595 22.990 > 97 99 Na 0.11936854176360 0.84138679332102 0.63833095682595 22.990 > 97 100 Na 0.61936854176360 0.84138679332102 0.63833095682595 22.990 > 97 101 Na 0.38063145823640 0.09138679332102 0.86166904317405 22.990 > 101 102 Na 0.88063145823640 0.09138679332102 0.86166904317405 22.990 > 101 103 Na 0.38063145823640 0.59138679332102 0.86166904317405 22.990 > 101 104 Na 0.88063145823640 0.59138679332102 0.86166904317405 22.990 > 101 105 Na 0.38063145823640 0.15861320667898 0.36166904317405 22.990 > 105 106 Na 0.88063145823640 0.15861320667898 0.36166904317405 22.990 > 105 107 Na 0.38063145823640 0.65861320667898 0.36166904317405 22.990 > 105 108 Na 0.88063145823640 0.65861320667898 0.36166904317405 22.990 > 105 109 Na 0.11936854176360 0.40861320667898 0.13833095682595 22.990 > 109 110 Na 0.61936854176360 0.40861320667898 0.13833095682595 22.990 > 109 111 Na 0.11936854176360 0.90861320667898 0.13833095682595 22.990 > 109 112 Na 0.61936854176360 0.90861320667898 0.13833095682595 22.990 > 109 113 Ge 0.38946296927156 0.42203757403418 0.15977816074013 72.640 > 113 114 Ge 0.88946296927156 0.42203757403418 0.15977816074013 72.640 > 113 115 Ge 0.38946296927156 0.92203757403418 0.15977816074013 72.640 > 113 116 Ge 0.88946296927156 0.92203757403418 0.15977816074013 72.640 > 113 117 Ge 0.11053703072844 0.17203757403418 0.34022183925987 72.640 > 117 118 Ge 0.61053703072844 0.17203757403418 0.34022183925987 72.640 > 117 119 Ge 0.11053703072844 0.67203757403418 0.34022183925987 72.640 > 117 120 Ge 0.61053703072844 0.67203757403418 0.34022183925987 72.640 > 117 121 Ge 0.11053703072844 0.07796242596582 0.84022183925987 72.640 > 121 122 Ge 0.61053703072844 0.07796242596582 0.84022183925987 72.640 > 121 123 Ge 0.11053703072844 0.57796242596582 0.84022183925987 72.640 > 121 124 Ge 0.61053703072844 0.57796242596582 0.84022183925987 72.640 > 121 125 Ge 0.38946296927156 0.32796242596582 0.65977816074013 72.640 > 125 126 Ge 0.88946296927156 0.32796242596582 0.65977816074013 72.640 > 125 127 Ge 0.38946296927156 0.82796242596582 0.65977816074013 72.640 > 125 128 Ge 0.88946296927156 0.82796242596582 0.65977816074013 72.640 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8418098 0.0000000 -0.0270161 0.0000000 2.8936717 0.0000000 -0.0270176 0.0000000 2.8797348 -------------------------- Born effective charges -------------------------- 1 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 2 Be 1.7887247 -0.1332703 -0.1417872 0.3406892 1.8488900 -0.1924729 0.2202467 -0.2063578 1.9439290 3 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 4 Be 1.7887247 0.1332703 -0.1417872 -0.3406892 1.8488900 0.1924729 0.2202467 0.2063578 1.9439290 5 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 6 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 7 O -1.5667126 -0.4575241 0.4401043 -0.3828925 -1.9807772 0.1927043 0.3835341 0.1957075 -1.9993832 8 O -1.5667126 0.4575241 0.4401043 0.3828925 -1.9807772 -0.1927043 0.3835341 -0.1957075 -1.9993832 9 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 10 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 11 O -1.6610778 -0.3455354 0.1135874 -0.5152384 -2.1804047 0.2200322 0.1244300 0.2322178 -1.3349489 12 O -1.6610778 0.3455354 0.1135874 0.5152384 -2.1804047 -0.2200322 0.1244300 -0.2322178 -1.3349489 13 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 14 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 15 O -1.6569910 0.0777438 -0.3532460 -0.0237798 -1.3151487 -0.0668195 -0.5022266 -0.0571758 -2.1754652 16 O -1.6569910 -0.0777438 -0.3532460 0.0237798 -1.3151487 0.0668195 -0.5022266 0.0571758 -2.1754652 17 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 18 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 19 O -2.0688435 -0.1584300 -0.1330757 -0.1497605 -1.4230583 -0.0231283 -0.1031068 -0.0315671 -1.4035676 20 O -2.0688435 0.1584300 -0.1330757 0.1497605 -1.4230583 0.0231283 -0.1031068 0.0315671 -1.4035676 21 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 22 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 23 Na 1.0599945 -0.0051181 0.0125315 0.0628893 1.0263584 -0.0171798 -0.0446227 -0.0121942 1.0296224 24 Na 1.0599945 0.0051181 0.0125315 -0.0628893 1.0263584 0.0171798 -0.0446227 0.0121942 1.0296224 25 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 26 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 27 Na 1.1159573 -0.0123557 0.0002472 -0.0271939 1.0701341 0.0913333 0.0026740 0.0126462 1.0794862 28 Na 1.1159573 0.0123557 0.0002472 0.0271939 1.0701341 -0.0913333 0.0026740 -0.0126462 1.0794862 29 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 30 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 31 Ge 2.9889483 0.0613007 0.0616386 -0.0783509 2.9540065 0.0474976 -0.0809286 0.0305632 2.8603272 32 Ge 2.9889483 -0.0613007 0.0616386 0.0783509 2.9540065 -0.0474976 -0.0809286 -0.0305632 2.8603272 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 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 2.559 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.275 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.504 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 15.045 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 0.000 0.000) 0.000 16.733 ( 0.000 0.000 0.000) 0.000 18.770 ( 0.000 0.000 0.000) 0.000 19.189 ( 0.000 0.000 0.000) 0.000 19.838 ( 0.000 0.000 0.000) 0.000 19.996 ( 0.000 0.000 0.000) 0.000 20.123 ( 0.000 0.000 0.000) 0.000 20.214 ( 0.000 0.000 0.000) 0.000 20.545 ( 0.000 0.000 0.000) 0.000 20.642 ( 0.000 0.000 0.000) 0.000 20.702 ( 0.000 0.000 0.000) 0.000 21.227 ( 0.000 0.000 0.000) 0.000 21.984 ( 0.000 0.000 0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 22.334 ( 0.000 0.000 0.000) 0.000 22.475 ( 0.000 0.000 0.000) 0.000 22.516 ( 0.000 0.000 0.000) 0.000 22.578 ( 0.000 0.000 0.000) 0.000 22.724 ( 0.000 0.000 0.000) 0.000 23.835 ( 0.000 0.000 0.000) 0.000 23.921 ( 0.000 0.000 0.000) 0.000 24.005 ( 0.000 0.000 0.000) 0.000 24.417 ( 0.000 0.000 0.000) 0.000 25.413 ( 0.000 0.000 0.000) 0.000 25.531 ( 0.000 0.000 0.000) 0.000 25.667 ( 0.000 0.000 0.000) 0.000 26.668 ( 0.000 0.000 0.000) 0.000 26.863 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 37.883 0.000 7.286) 38.577 0.768 ( 38.524 0.000 -5.407) 38.901 1.364 ( 67.217 0.000 6.620) 67.542 2.500 ( -3.628 0.000 15.867) 16.276 3.072 ( 3.445 0.000 -14.389) 14.796 3.105 ( 5.006 0.000 12.265) 13.247 3.301 ( 5.881 0.000 -7.563) 9.581 3.450 ( 4.376 0.000 -3.219) 5.433 3.638 ( 3.011 0.000 -2.787) 4.103 3.743 ( 10.149 0.000 5.398) 11.495 4.118 ( 10.416 0.000 1.234) 10.489 4.164 ( 9.333 0.000 1.951) 9.535 4.266 ( -9.283 0.000 -6.596) 11.387 4.300 ( -12.079 0.000 2.894) 12.421 4.529 ( -2.890 0.000 0.256) 2.901 4.592 ( -0.626 0.000 -1.104) 1.269 4.780 ( 9.629 0.000 -12.791) 16.010 4.879 ( -3.050 0.000 -6.575) 7.248 4.970 ( 5.709 0.000 -2.348) 6.173 5.227 ( -3.484 0.000 9.799) 10.400 5.256 ( 5.521 0.000 6.809) 8.766 5.359 ( 4.658 0.000 -11.889) 12.769 5.434 ( -5.641 0.000 6.551) 8.645 5.521 ( 5.161 0.000 1.633) 5.413 5.681 ( 1.555 0.000 -2.046) 2.569 5.719 ( -2.807 0.000 -2.319) 3.641 5.968 ( 2.626 0.000 -3.288) 4.207 6.059 ( 1.676 0.000 -1.998) 2.607 6.125 ( 1.984 0.000 1.238) 2.339 6.238 ( 0.714 0.000 6.870) 6.907 6.253 ( 10.034 0.000 3.398) 10.594 6.531 ( 9.341 0.000 -6.187) 11.204 6.800 ( 0.779 0.000 -3.372) 3.461 6.871 ( -5.645 0.000 7.506) 9.392 6.907 ( 4.150 0.000 0.948) 4.257 6.997 ( 0.856 0.000 -9.279) 9.318 7.366 ( -3.127 0.000 8.644) 9.192 7.671 ( -6.172 0.000 -0.305) 6.179 7.844 ( -12.745 0.000 1.090) 12.792 7.851 ( -16.533 0.000 4.988) 17.269 7.984 ( -2.373 0.000 -2.117) 3.180 8.077 ( -8.771 0.000 -0.791) 8.806 8.195 ( -6.027 0.000 5.259) 7.999 8.293 ( -7.524 0.000 0.665) 7.553 8.397 ( -5.353 0.000 -4.590) 7.051 8.570 ( -12.794 0.000 3.168) 13.181 8.759 ( 0.872 0.000 2.445) 2.596 8.890 ( 3.278 0.000 -8.396) 9.013 9.322 ( -5.837 0.000 -7.606) 9.588 9.632 ( -2.889 0.000 -1.873) 3.443 9.637 ( 6.075 0.000 9.366) 11.164 10.045 ( -10.617 0.000 -4.088) 11.377 10.335 ( 0.751 0.000 4.032) 4.102 10.360 ( 0.989 0.000 -1.746) 2.007 10.703 ( 9.783 0.000 -2.918) 10.209 11.169 ( 4.710 0.000 18.820) 19.401 11.289 ( 1.233 0.000 0.246) 1.257 11.521 ( 4.134 0.000 -4.344) 5.997 11.748 ( -1.797 0.000 -1.520) 2.354 11.775 ( 0.553 0.000 -13.924) 13.935 11.992 ( 6.880 0.000 2.579) 7.348 12.418 ( 0.282 0.000 -10.268) 10.272 13.855 ( -5.561 0.000 2.947) 6.294 14.073 ( -1.256 0.000 -0.206) 1.273 14.291 ( -0.237 0.000 0.215) 0.319 14.497 ( -1.073 0.000 1.393) 1.759 14.555 ( -1.919 0.000 -2.097) 2.843 15.057 ( 1.219 0.000 -0.209) 1.237 16.683 ( -0.021 0.000 -0.298) 0.299 16.732 ( -0.036 0.000 0.541) 0.542 18.810 ( -0.212 0.000 -3.869) 3.875 19.185 ( -0.374 0.000 -0.516) 0.638 19.846 ( 0.874 0.000 1.693) 1.905 20.003 ( 0.692 0.000 -0.857) 1.101 20.136 ( 1.126 0.000 0.429) 1.204 20.241 ( -1.866 0.000 -7.327) 7.561 20.570 ( -1.576 0.000 9.624) 9.752 20.658 ( 1.438 0.000 -0.754) 1.624 20.704 ( 0.252 0.000 -0.979) 1.011 21.153 ( -6.777 0.000 -1.771) 7.004 22.124 ( -1.442 0.000 -0.617) 1.568 22.310 ( -0.260 0.000 -8.584) 8.588 22.469 ( -0.313 0.000 -1.024) 1.070 22.576 ( 4.852 0.000 1.447) 5.063 22.580 ( 0.125 0.000 -0.311) 0.335 22.753 ( 2.668 0.000 0.580) 2.730 23.796 ( -2.990 0.000 6.984) 7.597 23.842 ( 0.420 0.000 0.117) 0.436 23.918 ( -0.260 0.000 0.324) 0.416 24.013 ( 0.635 0.000 1.510) 1.638 24.445 ( 2.693 0.000 -0.826) 2.817 25.439 ( -6.376 0.000 -3.318) 7.187 25.440 ( 2.524 0.000 -0.559) 2.585 25.730 ( 3.630 0.000 5.671) 6.734 26.713 ( 4.304 0.000 -2.380) 4.918 28.941 ( -0.670 0.000 15.142) 15.157 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 35.247 0.000 6.777) 35.893 1.506 ( 35.677 0.000 -5.058) 36.034 2.476 ( 1.260 0.000 17.639) 17.684 2.597 ( 55.076 0.000 4.635) 55.271 3.013 ( -8.199 0.000 -11.018) 13.734 3.235 ( 5.876 0.000 10.326) 11.880 3.331 ( -5.066 0.000 1.468) 5.274 3.528 ( 1.672 0.000 -8.140) 8.309 3.737 ( 8.937 0.000 -8.336) 12.221 3.866 ( -17.515 0.000 3.059) 17.780 4.111 ( -2.948 0.000 -5.561) 6.294 4.158 ( 25.229 0.000 3.856) 25.522 4.307 ( -1.373 0.000 -3.948) 4.180 4.316 ( 2.321 0.000 8.515) 8.826 4.536 ( 5.670 0.000 -0.417) 5.685 4.734 ( 6.502 0.000 -4.706) 8.027 4.837 ( 2.272 0.000 -5.733) 6.167 4.930 ( 4.325 0.000 -5.850) 7.275 5.068 ( 2.943 0.000 0.116) 2.945 5.134 ( -3.628 0.000 4.491) 5.774 5.328 ( 3.598 0.000 4.151) 5.493 5.416 ( 5.325 0.000 6.440) 8.357 5.476 ( 5.991 0.000 -5.507) 8.137 5.639 ( 3.943 0.000 -0.151) 3.946 5.704 ( 1.513 0.000 -3.155) 3.499 5.746 ( 7.937 0.000 -5.757) 9.805 6.013 ( 1.372 0.000 -3.239) 3.518 6.101 ( 1.339 0.000 -2.252) 2.620 6.184 ( 3.788 0.000 -0.025) 3.788 6.236 ( -0.478 0.000 6.636) 6.653 6.423 ( 4.342 0.000 5.743) 7.200 6.701 ( -4.240 0.000 -8.061) 9.108 6.816 ( 13.024 0.000 -1.680) 13.132 6.818 ( 0.860 0.000 -4.297) 4.382 6.922 ( -6.204 0.000 2.123) 6.558 7.016 ( 5.292 0.000 -0.152) 5.294 7.375 ( 0.510 0.000 5.159) 5.184 7.402 ( -24.570 0.000 2.801) 24.729 7.494 ( -11.919 0.000 1.490) 12.012 7.591 ( -9.426 0.000 -2.706) 9.807 7.827 ( -13.349 0.000 8.444) 15.795 7.971 ( -2.564 0.000 -3.160) 4.069 7.984 ( -14.200 0.000 10.029) 17.385 8.099 ( -11.205 0.000 2.814) 11.553 8.227 ( -10.914 0.000 -6.336) 12.620 8.330 ( -8.707 0.000 5.099) 10.090 8.769 ( -0.154 0.000 1.938) 1.944 8.901 ( -2.945 0.000 -9.112) 9.576 9.181 ( -7.672 0.000 -8.201) 11.230 9.552 ( -3.545 0.000 -2.823) 4.532 9.754 ( 5.064 0.000 7.166) 8.774 9.990 ( 4.542 0.000 -2.095) 5.002 10.335 ( -1.075 0.000 3.192) 3.368 10.393 ( 2.235 0.000 -2.372) 3.259 10.813 ( 1.324 0.000 -3.447) 3.693 11.271 ( 4.609 0.000 7.307) 8.639 11.319 ( 1.699 0.000 0.137) 1.704 11.616 ( 5.047 0.000 -7.886) 9.363 11.741 ( 0.828 0.000 -1.262) 1.510 11.781 ( -0.034 0.000 1.478) 1.478 12.126 ( 5.944 0.000 2.086) 6.300 12.425 ( 0.505 0.000 -3.462) 3.499 13.731 ( -6.068 0.000 3.804) 7.161 14.044 ( -1.520 0.000 -0.152) 1.527 14.285 ( -0.342 0.000 0.303) 0.457 14.446 ( -3.645 0.000 1.267) 3.859 14.533 ( -0.274 0.000 -2.198) 2.215 15.086 ( 1.515 0.000 -0.268) 1.538 16.682 ( 0.005 0.000 -0.367) 0.367 16.732 ( 0.022 0.000 0.644) 0.644 18.804 ( -0.311 0.000 -1.092) 1.135 19.176 ( -0.538 0.000 -0.601) 0.807 19.870 ( 1.350 0.000 2.203) 2.583 20.020 ( 0.986 0.000 -1.341) 1.664 20.159 ( 1.061 0.000 0.432) 1.145 20.196 ( -2.359 0.000 -1.794) 2.963 20.537 ( -1.668 0.000 4.329) 4.639 20.689 ( 1.489 0.000 -0.351) 1.529 20.710 ( 0.323 0.000 -1.424) 1.460 20.998 ( -7.859 0.000 -2.116) 8.139 22.100 ( -0.780 0.000 -0.000) 0.780 22.303 ( -0.310 0.000 -4.162) 4.173 22.463 ( -0.223 0.000 -0.821) 0.850 22.582 ( 0.161 0.000 -0.514) 0.538 22.672 ( 4.297 0.000 0.743) 4.361 22.817 ( 3.437 0.000 0.616) 3.492 23.727 ( -3.620 0.000 3.106) 4.770 23.851 ( 0.456 0.000 -0.021) 0.457 23.913 ( -0.270 0.000 0.415) 0.495 24.027 ( 0.698 0.000 1.376) 1.543 24.511 ( 3.508 0.000 -1.038) 3.659 25.325 ( -4.761 0.000 -2.263) 5.272 25.499 ( 2.986 0.000 -0.613) 3.048 25.775 ( 0.894 0.000 4.895) 4.976 26.815 ( 5.369 0.000 -2.640) 5.983 28.927 ( -0.775 0.000 5.364) 5.420 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 23.561 0.000 4.750) 24.035 2.116 ( 22.465 0.000 -3.143) 22.683 2.540 ( 3.795 0.000 11.148) 11.776 2.839 ( -7.072 0.000 -8.152) 10.792 2.991 ( -15.005 0.000 -6.720) 16.441 3.268 ( -17.508 0.000 1.945) 17.616 3.395 ( 4.537 0.000 7.297) 8.592 3.433 ( 19.962 0.000 7.380) 21.283 3.810 ( 3.714 0.000 -4.252) 5.646 3.929 ( 6.465 0.000 -6.251) 8.993 4.189 ( 6.724 0.000 -4.696) 8.202 4.222 ( 0.254 0.000 0.499) 0.559 4.316 ( -0.716 0.000 3.787) 3.854 4.594 ( -2.530 0.000 -2.726) 3.719 4.630 ( 18.780 0.000 1.724) 18.859 4.761 ( 1.110 0.000 -2.152) 2.421 4.846 ( -3.077 0.000 2.559) 4.002 4.912 ( -0.259 0.000 -0.180) 0.316 5.048 ( -7.708 0.000 0.533) 7.727 5.169 ( 2.549 0.000 1.950) 3.209 5.530 ( 13.720 0.000 -4.342) 14.390 5.531 ( 3.727 0.000 2.972) 4.767 5.607 ( 6.168 0.000 -0.041) 6.168 5.662 ( 0.208 0.000 0.518) 0.558 5.737 ( 0.887 0.000 -1.630) 1.856 5.868 ( -0.991 0.000 -1.691) 1.960 6.000 ( -1.066 0.000 -1.681) 1.990 6.061 ( -5.286 0.000 -0.586) 5.318 6.278 ( 3.951 0.000 -0.851) 4.041 6.356 ( 15.209 0.000 -5.490) 16.169 6.357 ( -6.512 0.000 2.338) 6.919 6.596 ( -4.225 0.000 -0.006) 4.225 6.783 ( -7.477 0.000 3.122) 8.103 6.931 ( 7.992 0.000 3.851) 8.872 6.991 ( -7.170 0.000 -1.670) 7.362 7.047 ( -7.589 0.000 0.667) 7.618 7.136 ( 7.511 0.000 -6.340) 9.829 7.228 ( -1.924 0.000 -3.640) 4.117 7.267 ( -8.389 0.000 2.695) 8.811 7.505 ( -10.111 0.000 5.344) 11.437 7.660 ( -1.560 0.000 6.941) 7.114 7.775 ( -0.726 0.000 -1.138) 1.350 7.869 ( -5.049 0.000 -2.135) 5.481 7.892 ( -8.993 0.000 6.319) 10.991 8.117 ( -1.206 0.000 -4.369) 4.533 8.192 ( -4.785 0.000 2.502) 5.400 8.760 ( -0.400 0.000 1.545) 1.596 8.816 ( -3.521 0.000 -4.427) 5.656 9.057 ( -3.744 0.000 -3.194) 4.921 9.520 ( -0.279 0.000 -1.226) 1.258 9.825 ( 1.823 0.000 2.606) 3.180 10.140 ( 8.667 0.000 0.342) 8.674 10.281 ( -4.771 0.000 0.061) 4.771 10.432 ( 1.260 0.000 -1.065) 1.649 10.794 ( -1.638 0.000 -1.169) 2.012 11.334 ( 1.588 0.000 1.919) 2.490 11.346 ( 0.821 0.000 -0.099) 0.827 11.701 ( 3.211 0.000 -7.661) 8.307 11.762 ( 0.799 0.000 -0.532) 0.960 11.769 ( -1.121 0.000 6.175) 6.276 12.209 ( 2.176 0.000 0.739) 2.299 12.434 ( 0.295 0.000 -0.920) 0.966 13.645 ( -2.329 0.000 1.751) 2.914 14.021 ( -0.661 0.000 -0.067) 0.665 14.279 ( -0.167 0.000 0.146) 0.221 14.385 ( -1.864 0.000 0.277) 1.885 14.532 ( 0.038 0.000 -0.714) 0.715 15.109 ( 0.672 0.000 -0.122) 0.683 16.683 ( 0.014 0.000 -0.162) 0.162 16.733 ( 0.035 0.000 0.277) 0.280 18.799 ( -0.148 0.000 -0.220) 0.265 19.167 ( -0.264 0.000 -0.256) 0.367 19.893 ( 0.718 0.000 1.042) 1.265 20.037 ( 0.565 0.000 -0.795) 0.976 20.158 ( -1.150 0.000 -0.104) 1.154 20.173 ( 0.344 0.000 0.138) 0.370 20.513 ( -0.687 0.000 1.340) 1.506 20.711 ( 0.608 0.000 -0.055) 0.610 20.716 ( 0.212 0.000 -0.791) 0.819 20.879 ( -3.455 0.000 -0.821) 3.551 22.093 ( -0.123 0.000 0.172) 0.211 22.298 ( -0.127 0.000 -1.381) 1.387 22.460 ( -0.103 0.000 -0.333) 0.349 22.585 ( 0.072 0.000 -0.242) 0.253 22.732 ( 1.576 0.000 0.169) 1.585 22.871 ( 1.615 0.000 0.232) 1.631 23.671 ( -1.662 0.000 1.054) 1.968 23.858 ( 0.190 0.000 -0.022) 0.191 23.909 ( -0.106 0.000 0.189) 0.217 24.037 ( 0.298 0.000 0.515) 0.595 24.565 ( 1.636 0.000 -0.485) 1.706 25.260 ( -1.662 0.000 -0.774) 1.834 25.544 ( 1.281 0.000 -0.246) 1.304 25.778 ( -0.215 0.000 1.865) 1.878 26.897 ( 2.377 0.000 -1.064) 2.604 28.916 ( -0.349 0.000 1.425) 1.467 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 32.274 0.000) 32.274 0.827 ( 0.000 40.938 0.000) 40.938 1.193 ( 0.000 58.885 0.000) 58.885 2.502 ( 0.000 -2.619 0.000) 2.619 2.896 ( 0.000 -7.589 0.000) 7.589 3.258 ( 0.000 15.373 0.000) 15.373 3.339 ( 0.000 10.303 0.000) 10.303 3.375 ( 0.000 3.267 0.000) 3.267 3.639 ( 0.000 3.623 0.000) 3.623 3.912 ( 0.000 9.624 0.000) 9.624 3.964 ( 0.000 7.004 0.000) 7.004 4.081 ( 0.000 2.268 0.000) 2.268 4.220 ( 0.000 -13.115 0.000) 13.115 4.360 ( 0.000 -6.083 0.000) 6.083 4.460 ( 0.000 -9.873 0.000) 9.873 4.550 ( 0.000 -3.496 0.000) 3.496 4.816 ( 0.000 4.140 0.000) 4.140 4.928 ( 0.000 -14.689 0.000) 14.689 4.929 ( 0.000 0.672 0.000) 0.672 5.184 ( 0.000 1.684 0.000) 1.684 5.238 ( 0.000 -5.023 0.000) 5.023 5.330 ( 0.000 -1.616 0.000) 1.616 5.463 ( 0.000 -3.430 0.000) 3.430 5.536 ( 0.000 2.244 0.000) 2.244 5.607 ( 0.000 2.242 0.000) 2.242 5.685 ( 0.000 -18.907 0.000) 18.907 5.903 ( 0.000 -2.011 0.000) 2.011 5.994 ( 0.000 -19.018 0.000) 19.018 6.029 ( 0.000 -3.569 0.000) 3.569 6.152 ( 0.000 2.306 0.000) 2.306 6.440 ( 0.000 0.769 0.000) 0.769 6.648 ( 0.000 -2.848 0.000) 2.848 6.834 ( 0.000 1.662 0.000) 1.662 6.874 ( 0.000 -4.982 0.000) 4.982 6.924 ( 0.000 3.041 0.000) 3.041 7.053 ( 0.000 2.662 0.000) 2.662 7.554 ( 0.000 11.197 0.000) 11.197 7.729 ( 0.000 -0.902 0.000) 0.902 7.873 ( 0.000 1.097 0.000) 1.097 7.996 ( 0.000 -1.237 0.000) 1.237 8.064 ( 0.000 8.191 0.000) 8.191 8.166 ( 0.000 5.639 0.000) 5.639 8.257 ( 0.000 1.577 0.000) 1.577 8.360 ( 0.000 0.047 0.000) 0.047 8.446 ( 0.000 -1.130 0.000) 1.130 8.566 ( 0.000 7.919 0.000) 7.919 8.872 ( 0.000 2.512 0.000) 2.512 8.960 ( 0.000 0.374 0.000) 0.374 9.445 ( 0.000 6.114 0.000) 6.114 9.502 ( 0.000 -4.302 0.000) 4.302 9.785 ( 0.000 4.224 0.000) 4.224 10.100 ( 0.000 -11.427 0.000) 11.427 10.212 ( 0.000 -6.376 0.000) 6.376 10.411 ( 0.000 -8.832 0.000) 8.832 10.538 ( 0.000 7.569 0.000) 7.569 10.842 ( 0.000 3.193 0.000) 3.193 11.304 ( 0.000 -4.628 0.000) 4.628 11.308 ( 0.000 -1.611 0.000) 1.611 11.611 ( 0.000 8.668 0.000) 8.668 11.951 ( 0.000 4.601 0.000) 4.601 12.228 ( 0.000 -4.425 0.000) 4.425 12.825 ( 0.000 -6.501 0.000) 6.501 13.973 ( 0.000 4.111 0.000) 4.111 13.992 ( 0.000 -7.402 0.000) 7.402 14.223 ( 0.000 -6.599 0.000) 6.599 14.545 ( 0.000 3.413 0.000) 3.413 14.819 ( 0.000 0.261 0.000) 0.261 15.016 ( 0.000 -2.588 0.000) 2.588 16.680 ( 0.000 -0.240 0.000) 0.240 16.715 ( 0.000 -1.545 0.000) 1.545 18.767 ( 0.000 0.341 0.000) 0.341 19.248 ( 0.000 4.054 0.000) 4.054 19.735 ( 0.000 -4.583 0.000) 4.583 20.017 ( 0.000 1.817 0.000) 1.817 20.291 ( 0.000 -0.129 0.000) 0.129 20.321 ( 0.000 1.374 0.000) 1.374 20.646 ( 0.000 0.335 0.000) 0.335 20.658 ( 0.000 11.891 0.000) 11.891 20.765 ( 0.000 6.567 0.000) 6.567 21.802 ( 0.000 2.228 0.000) 2.228 22.003 ( 0.000 1.796 0.000) 1.796 22.150 ( 0.000 0.678 0.000) 0.678 22.324 ( 0.000 -0.491 0.000) 0.491 22.553 ( 0.000 3.765 0.000) 3.765 22.604 ( 0.000 2.257 0.000) 2.257 22.707 ( 0.000 -1.721 0.000) 1.721 23.620 ( 0.000 -17.547 0.000) 17.547 23.938 ( 0.000 -5.526 0.000) 5.526 23.970 ( 0.000 4.737 0.000) 4.737 24.058 ( 0.000 3.098 0.000) 3.098 25.366 ( 0.000 -1.406 0.000) 1.406 25.662 ( 0.000 -0.434 0.000) 0.434 25.711 ( 0.000 14.462 0.000) 14.462 25.983 ( 0.000 1.720 0.000) 1.720 26.589 ( 0.000 -7.210 0.000) 7.210 26.876 ( 0.000 0.758 0.000) 0.758 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 20.973 24.901 4.489) 32.865 1.044 ( 31.056 20.705 14.359) 39.992 1.873 ( 48.899 39.915 -4.557) 63.285 2.499 ( 0.763 0.419 12.096) 12.128 2.922 ( 2.139 -5.588 0.830) 6.041 3.263 ( 2.256 8.021 -9.817) 12.876 3.386 ( 7.042 6.669 -4.058) 10.513 3.525 ( 0.383 9.442 0.555) 9.466 3.657 ( 1.413 2.193 -1.824) 3.183 3.788 ( 6.697 2.753 5.472) 9.076 4.051 ( -7.190 -9.151 -0.395) 11.644 4.156 ( 0.821 -0.114 5.507) 5.569 4.233 ( 6.747 2.186 -2.678) 7.582 4.376 ( 6.106 3.672 -0.713) 7.161 4.428 ( -2.237 -7.956 -0.930) 8.317 4.590 ( -2.737 -2.561 -1.561) 4.060 4.751 ( 4.380 -3.092 -3.547) 6.429 4.887 ( -3.274 -4.108 -7.771) 9.380 4.975 ( 5.572 -0.118 -3.215) 6.434 5.200 ( -2.460 -5.311 9.314) 11.000 5.228 ( 0.726 -4.326 5.875) 7.332 5.345 ( 1.426 -2.160 -9.034) 9.397 5.412 ( -2.921 -2.105 6.880) 7.765 5.571 ( 4.481 4.577 -2.158) 6.760 5.609 ( -0.644 -3.992 -0.714) 4.106 5.710 ( -0.868 -5.577 -4.911) 7.481 5.862 ( 2.183 -10.740 -4.734) 11.939 6.038 ( 5.949 -8.974 3.255) 11.248 6.136 ( -0.178 1.753 -1.609) 2.386 6.164 ( 5.590 -1.832 4.615) 7.477 6.388 ( -8.938 7.744 1.625) 11.937 6.533 ( 8.737 -0.005 -0.181) 8.739 6.838 ( -3.223 -2.534 0.959) 4.210 6.853 ( 0.286 0.591 -4.794) 4.838 6.923 ( 2.128 2.368 -2.279) 3.916 7.031 ( -1.475 4.859 -0.776) 5.137 7.480 ( -5.287 9.705 7.775) 13.513 7.690 ( -5.333 0.315 1.351) 5.511 7.796 ( -9.575 -1.740 2.283) 9.996 7.862 ( -12.677 0.692 0.640) 12.712 8.022 ( -12.444 0.570 4.436) 13.224 8.061 ( -1.824 4.829 -6.534) 8.327 8.215 ( -6.670 -2.928 -2.830) 7.815 8.256 ( -8.429 1.555 3.649) 9.316 8.403 ( -4.385 0.957 -0.648) 4.535 8.573 ( -3.720 5.525 5.489) 8.631 8.875 ( -3.551 3.721 -3.565) 6.259 8.954 ( 3.115 5.597 -1.616) 6.606 9.325 ( -7.890 0.509 -3.055) 8.476 9.572 ( 4.027 -0.015 0.115) 4.028 9.763 ( -2.605 6.298 0.451) 6.830 9.974 ( -5.129 -7.905 -3.510) 10.055 10.260 ( 1.313 -5.259 3.836) 6.641 10.389 ( -3.544 2.136 -0.008) 4.138 10.611 ( 11.011 -7.429 -5.098) 14.228 11.039 ( 10.528 -4.794 10.713) 15.767 11.260 ( -0.059 -1.596 3.966) 4.275 11.442 ( 7.451 -5.307 -10.219) 13.715 11.663 ( 4.765 8.125 1.241) 9.501 11.965 ( 1.115 4.154 -2.417) 4.934 12.207 ( -1.872 -0.187 0.371) 1.917 12.587 ( -13.389 10.142 -5.094) 17.552 13.915 ( -5.224 4.819 1.572) 7.279 13.986 ( -0.590 -7.493 1.729) 7.713 14.156 ( -3.987 -8.581 3.195) 9.987 14.542 ( -0.324 2.803 -1.443) 3.169 14.670 ( -7.756 5.874 -1.421) 9.833 15.009 ( 0.211 -3.717 -0.251) 3.732 16.676 ( -0.192 -0.383 -0.100) 0.440 16.715 ( 0.020 -1.493 0.485) 1.570 18.784 ( 0.797 -0.654 -0.858) 1.341 19.238 ( -0.783 4.400 -0.270) 4.477 19.747 ( 0.793 -4.903 -1.408) 5.162 20.019 ( 0.329 1.764 -0.412) 1.841 20.220 ( -2.519 4.604 1.696) 5.515 20.335 ( -0.613 0.371 0.665) 0.978 20.653 ( -0.115 7.607 3.247) 8.271 20.661 ( 0.858 4.102 -0.677) 4.245 20.769 ( 0.136 5.888 -2.943) 6.584 21.354 ( -18.683 12.002 -2.363) 22.331 22.134 ( -1.190 0.993 -0.855) 1.770 22.285 ( 5.799 -2.429 -11.029) 12.695 22.370 ( 4.488 -2.268 8.306) 9.710 22.586 ( 2.971 2.287 0.108) 3.751 22.605 ( 0.385 1.697 -0.477) 1.804 22.738 ( 2.764 -1.540 0.814) 3.267 23.637 ( 1.171 -17.084 -0.681) 17.137 23.863 ( -4.502 -1.156 -11.622) 12.517 23.994 ( 0.617 2.903 2.920) 4.164 24.063 ( -0.087 4.662 9.575) 10.650 24.924 ( -26.143 32.568 0.808) 41.771 25.423 ( -1.470 3.705 -1.542) 4.274 25.622 ( -1.927 9.720 -4.203) 10.763 25.753 ( 2.126 4.782 6.700) 8.501 26.684 ( 4.009 -3.151 -1.324) 5.268 28.082 ( 41.468 -52.628 8.675) 67.562 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 32.772 7.544 -1.105) 33.648 1.702 ( 33.403 13.653 9.936) 37.429 2.507 ( 4.291 3.655 15.261) 16.269 2.837 ( 36.045 19.131 0.683) 40.813 2.964 ( 0.774 -1.848 -4.538) 4.961 3.291 ( -2.867 4.904 -2.555) 6.229 3.371 ( -8.593 5.123 4.640) 11.028 3.565 ( 7.425 2.816 -6.534) 10.284 3.699 ( 3.592 -2.424 -7.477) 8.642 3.827 ( -4.006 -3.737 -0.072) 5.479 3.997 ( 0.080 -5.582 -0.691) 5.626 4.159 ( 2.239 -5.317 -1.523) 5.966 4.344 ( 4.360 2.065 9.556) 10.704 4.398 ( 1.660 7.068 -0.907) 7.317 4.503 ( 9.266 -0.447 1.079) 9.339 4.676 ( 4.983 -4.880 -4.216) 8.150 4.830 ( -1.096 -0.026 -5.060) 5.177 4.882 ( 1.583 -6.986 0.014) 7.164 5.063 ( 3.971 -0.966 -0.893) 4.183 5.223 ( 2.983 3.110 3.171) 5.350 5.282 ( 12.330 -4.269 0.845) 13.076 5.348 ( -0.144 -2.834 3.329) 4.374 5.463 ( 4.873 -8.789 -8.026) 12.862 5.527 ( -0.806 1.197 0.579) 1.555 5.714 ( 6.503 -3.193 -5.802) 9.282 5.780 ( 7.589 2.732 2.131) 8.342 5.928 ( 1.844 -6.954 -2.493) 7.614 6.096 ( 1.309 -4.243 -2.847) 5.275 6.190 ( 3.576 -0.217 0.037) 3.583 6.233 ( 1.467 1.423 2.945) 3.585 6.369 ( 2.771 -2.766 5.189) 6.501 6.687 ( -8.725 -4.483 -2.917) 10.234 6.771 ( 13.779 -0.038 -6.857) 15.391 6.880 ( -2.299 3.383 -2.365) 4.725 6.952 ( -2.175 2.553 3.731) 5.017 7.011 ( 4.589 0.257 0.115) 4.597 7.391 ( -8.183 3.147 5.979) 10.611 7.402 ( -21.200 -0.406 1.050) 21.230 7.571 ( -7.855 4.726 1.143) 9.238 7.659 ( -8.106 5.662 -1.746) 10.041 7.748 ( -13.275 -4.935 7.528) 16.039 7.966 ( -10.081 2.874 1.111) 10.541 8.033 ( -8.550 -4.926 0.185) 9.869 8.057 ( -9.983 3.389 2.723) 10.888 8.266 ( -8.411 1.766 -3.961) 9.463 8.447 ( -6.514 10.862 4.616) 13.480 8.819 ( -2.589 3.491 2.369) 4.950 8.932 ( -5.688 3.539 -7.591) 10.124 9.172 ( -7.196 0.486 -4.230) 8.362 9.605 ( -1.634 4.277 -4.974) 6.761 9.739 ( 4.039 -0.913 5.116) 6.581 10.005 ( 5.549 0.786 -0.554) 5.632 10.275 ( 0.004 -4.989 3.475) 6.080 10.372 ( 1.400 -1.112 -2.124) 2.776 10.766 ( 3.957 -4.497 -4.485) 7.483 11.186 ( 4.426 -7.627 4.922) 10.099 11.286 ( 2.381 -0.465 3.332) 4.122 11.571 ( 5.906 -4.332 -5.860) 9.380 11.766 ( 4.646 7.032 2.813) 8.886 11.963 ( -1.803 7.752 -6.676) 10.388 12.188 ( 0.654 1.454 1.815) 2.416 12.439 ( -3.105 3.996 -0.366) 5.074 13.803 ( -5.381 5.856 2.429) 8.315 13.971 ( -0.857 -6.402 0.760) 6.503 14.098 ( -2.181 -13.249 2.521) 13.662 14.529 ( -1.352 3.025 0.303) 3.327 14.561 ( -3.428 3.200 -2.563) 5.344 15.021 ( 0.828 -5.463 -0.259) 5.531 16.674 ( -0.031 -0.598 -0.237) 0.644 16.716 ( 0.043 -1.419 0.562) 1.527 18.791 ( 0.045 -0.367 -0.282) 0.465 19.221 ( -0.834 4.184 -0.372) 4.282 19.759 ( 0.466 -5.211 -0.968) 5.320 20.029 ( 0.618 1.267 -0.200) 1.424 20.208 ( 0.769 4.084 2.027) 4.624 20.311 ( -1.604 2.132 0.749) 2.772 20.643 ( -0.682 11.707 2.856) 12.070 20.685 ( 1.192 -0.127 -0.893) 1.495 20.769 ( 0.021 5.206 -2.956) 5.987 21.076 ( -10.704 6.792 -2.067) 12.845 22.115 ( -0.579 1.407 -0.267) 1.545 22.334 ( 1.180 3.018 -5.622) 6.489 22.432 ( 1.602 -1.253 2.953) 3.586 22.606 ( 0.206 2.269 -0.755) 2.400 22.660 ( 3.392 -1.044 0.578) 3.596 22.800 ( 3.083 -1.664 1.127) 3.680 23.652 ( 0.282 -15.646 -0.601) 15.660 23.788 ( -2.842 -0.193 -7.173) 7.718 23.994 ( -0.506 5.303 2.919) 6.075 24.058 ( -0.210 4.571 6.519) 7.965 24.693 ( -3.240 18.129 -0.256) 18.418 25.403 ( -1.130 5.218 -1.600) 5.573 25.611 ( 0.625 11.135 -2.400) 11.408 25.776 ( 0.159 0.813 5.545) 5.607 26.776 ( 4.801 -3.956 -2.091) 6.563 28.511 ( 9.619 -35.803 4.382) 37.330 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 28.766 5.009 0.213) 29.199 2.284 ( 20.455 12.543 1.440) 24.038 2.586 ( 3.215 3.524 9.662) 10.776 2.878 ( -8.116 -0.702 1.140) 8.226 2.940 ( -13.712 -7.701 0.766) 15.745 3.081 ( -14.084 6.815 -9.936) 18.534 3.354 ( 2.261 -1.726 6.194) 6.816 3.748 ( 8.271 10.456 -0.106) 13.333 3.810 ( 6.651 0.174 -5.681) 8.748 3.879 ( 1.721 -5.052 1.018) 5.433 4.068 ( -5.758 -11.411 -2.807) 13.086 4.218 ( 21.297 3.822 -3.215) 21.875 4.360 ( -0.400 3.470 2.223) 4.140 4.519 ( -1.940 -4.890 3.470) 6.302 4.598 ( 2.129 -4.717 -0.790) 5.236 4.715 ( -0.850 -6.071 -1.063) 6.222 4.779 ( -2.585 -3.949 0.017) 4.720 4.927 ( 8.159 6.160 3.251) 10.728 5.077 ( -4.840 1.157 -0.399) 4.992 5.328 ( 3.367 8.211 2.608) 9.250 5.434 ( 6.772 -10.964 -3.381) 13.323 5.516 ( 3.455 -1.642 -1.789) 4.223 5.555 ( 9.148 -2.464 -1.441) 9.583 5.617 ( 8.253 3.049 0.593) 8.818 5.812 ( 3.778 0.731 -0.176) 3.852 5.864 ( -5.949 -4.806 -0.766) 7.686 5.905 ( -2.479 0.143 0.673) 2.572 6.082 ( -2.195 -4.636 -0.908) 5.209 6.195 ( -2.618 -1.764 -0.734) 3.241 6.345 ( 10.736 -2.593 -6.409) 12.769 6.436 ( 4.240 0.075 4.894) 6.476 6.514 ( -5.451 -2.934 -3.580) 7.151 6.823 ( -0.218 2.502 0.031) 2.512 6.907 ( -5.617 -0.259 1.641) 5.857 6.974 ( -8.795 -0.231 2.271) 9.087 7.059 ( 5.786 -3.262 0.200) 6.646 7.140 ( 2.127 0.571 -2.744) 3.518 7.166 ( -5.400 0.252 0.854) 5.472 7.372 ( -11.411 1.780 0.329) 11.554 7.503 ( -9.124 3.126 4.410) 10.605 7.671 ( 2.120 1.323 4.313) 4.985 7.793 ( -0.745 3.011 -2.430) 3.940 7.889 ( -4.661 1.073 1.934) 5.159 7.921 ( -6.037 2.681 2.050) 6.916 8.115 ( -5.465 -0.695 -3.944) 6.775 8.357 ( -2.430 15.367 1.740) 15.655 8.757 ( -2.833 -0.680 0.080) 2.915 8.829 ( -2.786 1.967 -1.684) 3.803 9.059 ( -3.385 1.194 -2.255) 4.238 9.589 ( -0.020 6.085 -1.884) 6.370 9.817 ( 2.241 -0.618 2.502) 3.416 10.126 ( 5.240 -2.364 0.514) 5.771 10.259 ( -1.405 -0.810 0.312) 1.651 10.410 ( 1.513 -1.532 -1.049) 2.395 10.786 ( -0.640 -0.980 -1.726) 2.086 11.234 ( 1.003 -8.340 0.805) 8.439 11.329 ( 1.268 -0.552 1.428) 1.988 11.681 ( 4.821 -4.135 -2.142) 6.703 11.803 ( -1.399 4.698 2.302) 5.415 11.928 ( -0.471 12.859 -3.553) 13.350 12.213 ( 1.027 -2.509 0.817) 2.831 12.411 ( -0.439 0.597 0.485) 0.885 13.727 ( -1.998 6.973 1.189) 7.351 13.958 ( -0.363 -5.542 0.044) 5.554 14.066 ( -0.960 -15.340 1.016) 15.404 14.487 ( -1.538 4.717 0.177) 4.965 14.536 ( -0.264 0.248 -1.021) 1.083 15.035 ( 0.441 -6.434 -0.120) 6.450 16.674 ( 0.019 -0.644 -0.121) 0.656 16.716 ( 0.024 -1.421 0.245) 1.442 18.790 ( -0.052 -0.138 -0.027) 0.150 19.208 ( -0.384 3.912 -0.165) 3.934 19.765 ( 0.155 -5.663 -0.341) 5.675 20.038 ( 0.259 0.911 -0.035) 0.948 20.237 ( 1.904 3.753 1.667) 4.527 20.276 ( -1.910 3.682 -0.443) 4.171 20.632 ( -0.314 12.416 1.086) 12.467 20.701 ( 0.420 -0.890 -0.434) 1.076 20.771 ( 0.213 4.933 -1.449) 5.146 20.925 ( -4.189 4.517 -0.545) 6.185 22.110 ( -0.076 1.565 0.039) 1.567 22.348 ( 0.345 5.165 -1.845) 5.495 22.450 ( 0.367 -0.225 0.777) 0.889 22.609 ( 0.064 2.172 -0.315) 2.196 22.709 ( 1.348 -2.153 0.168) 2.546 22.845 ( 1.282 -2.215 0.552) 2.618 23.652 ( -0.135 -13.622 -0.316) 13.626 23.750 ( -0.935 -0.611 -2.252) 2.514 23.983 ( -0.412 6.712 1.615) 6.916 24.059 ( 0.078 3.084 1.751) 3.547 24.676 ( 0.167 11.781 -0.311) 11.786 25.384 ( -0.561 8.649 -0.701) 8.696 25.628 ( 0.671 9.780 -0.776) 9.834 25.770 ( -0.419 -0.706 2.147) 2.299 26.849 ( 2.124 -4.774 -0.884) 5.299 28.610 ( 1.888 -28.193 1.255) 28.284 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 30.719 0.000) 30.719 1.619 ( 0.000 38.248 0.000) 38.248 2.312 ( 0.000 51.613 0.000) 51.613 2.513 ( 0.000 4.197 0.000) 4.197 2.774 ( 0.000 -3.827 0.000) 3.827 3.398 ( 0.000 2.766 0.000) 2.766 3.601 ( 0.000 12.303 0.000) 12.303 3.605 ( 0.000 14.765 0.000) 14.765 3.718 ( 0.000 3.642 0.000) 3.642 3.840 ( 0.000 -14.445 0.000) 14.445 4.083 ( 0.000 1.147 0.000) 1.147 4.156 ( 0.000 0.842 0.000) 0.842 4.176 ( 0.000 -10.173 0.000) 10.173 4.204 ( 0.000 11.364 0.000) 11.364 4.337 ( 0.000 1.302 0.000) 1.302 4.456 ( 0.000 -5.591 0.000) 5.591 4.640 ( 0.000 -10.225 0.000) 10.225 4.814 ( 0.000 -3.347 0.000) 3.347 4.952 ( 0.000 -4.167 0.000) 4.167 5.015 ( 0.000 -11.221 0.000) 11.221 5.087 ( 0.000 -10.720 0.000) 10.720 5.209 ( 0.000 -19.804 0.000) 19.804 5.402 ( 0.000 -11.326 0.000) 11.326 5.411 ( 0.000 7.351 0.000) 7.351 5.556 ( 0.000 -3.380 0.000) 3.380 5.636 ( 0.000 -9.021 0.000) 9.021 5.687 ( 0.000 5.516 0.000) 5.516 5.870 ( 0.000 -1.774 0.000) 1.774 5.966 ( 0.000 -1.509 0.000) 1.509 6.187 ( 0.000 1.166 0.000) 1.166 6.478 ( 0.000 2.723 0.000) 2.723 6.517 ( 0.000 -9.337 0.000) 9.337 6.743 ( 0.000 -7.195 0.000) 7.195 6.804 ( 0.000 -3.389 0.000) 3.389 7.021 ( 0.000 5.052 0.000) 5.052 7.159 ( 0.000 5.933 0.000) 5.933 7.696 ( 0.000 -1.729 0.000) 1.729 7.796 ( 0.000 11.313 0.000) 11.313 7.895 ( 0.000 1.041 0.000) 1.041 7.979 ( 0.000 0.368 0.000) 0.368 8.188 ( 0.000 2.884 0.000) 2.884 8.275 ( 0.000 0.205 0.000) 0.205 8.326 ( 0.000 5.917 0.000) 5.917 8.375 ( 0.000 1.068 0.000) 1.068 8.437 ( 0.000 3.909 0.000) 3.909 8.710 ( 0.000 4.898 0.000) 4.898 8.936 ( 0.000 3.977 0.000) 3.977 8.973 ( 0.000 1.124 0.000) 1.124 9.415 ( 0.000 -4.210 0.000) 4.210 9.637 ( 0.000 12.708 0.000) 12.708 9.798 ( 0.000 -4.564 0.000) 4.564 9.989 ( 0.000 2.426 0.000) 2.426 10.063 ( 0.000 -7.662 0.000) 7.662 10.236 ( 0.000 -8.279 0.000) 8.279 10.641 ( 0.000 2.800 0.000) 2.800 10.848 ( 0.000 -2.850 0.000) 2.850 11.235 ( 0.000 -2.193 0.000) 2.193 11.270 ( 0.000 -1.744 0.000) 1.744 11.766 ( 0.000 6.202 0.000) 6.202 12.048 ( 0.000 4.027 0.000) 4.027 12.119 ( 0.000 -6.041 0.000) 6.041 12.646 ( 0.000 -11.025 0.000) 11.025 13.782 ( 0.000 -10.956 0.000) 10.956 14.056 ( 0.000 -9.498 0.000) 9.498 14.105 ( 0.000 6.879 0.000) 6.879 14.622 ( 0.000 4.325 0.000) 4.325 14.809 ( 0.000 -1.871 0.000) 1.871 14.962 ( 0.000 -2.187 0.000) 2.187 16.678 ( 0.000 0.138 0.000) 0.138 16.686 ( 0.000 -1.004 0.000) 1.004 18.820 ( 0.000 5.619 0.000) 5.619 19.357 ( 0.000 6.630 0.000) 6.630 19.725 ( 0.000 3.224 0.000) 3.224 20.049 ( 0.000 0.924 0.000) 0.924 20.229 ( 0.000 -4.220 0.000) 4.220 20.347 ( 0.000 0.776 0.000) 0.776 20.652 ( 0.000 0.260 0.000) 0.260 20.777 ( 0.000 1.810 0.000) 1.810 21.031 ( 0.000 14.860 0.000) 14.860 21.853 ( 0.000 2.296 0.000) 2.296 22.050 ( 0.000 2.670 0.000) 2.670 22.171 ( 0.000 1.334 0.000) 1.334 22.336 ( 0.000 1.887 0.000) 1.887 22.619 ( 0.000 1.742 0.000) 1.742 22.657 ( 0.000 -3.158 0.000) 3.158 22.703 ( 0.000 8.650 0.000) 8.650 23.234 ( 0.000 -19.479 0.000) 19.479 23.794 ( 0.000 -8.296 0.000) 8.296 24.095 ( 0.000 7.253 0.000) 7.253 24.121 ( 0.000 3.399 0.000) 3.399 25.365 ( 0.000 1.077 0.000) 1.077 25.651 ( 0.000 -0.668 0.000) 0.668 25.968 ( 0.000 5.566 0.000) 5.566 26.073 ( 0.000 11.757 0.000) 11.757 26.406 ( 0.000 -10.672 0.000) 10.672 26.883 ( 0.000 -0.049 0.000) 0.049 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 16.099 26.150 10.407) 32.424 1.595 ( 7.225 34.844 8.220) 36.522 2.514 ( 3.147 5.838 4.727) 8.144 2.745 ( 31.868 38.705 -8.035) 50.776 2.842 ( 6.075 -0.663 4.926) 7.849 3.450 ( 1.743 4.745 -6.340) 8.108 3.477 ( 0.276 8.230 -6.829) 10.698 3.678 ( -7.079 -6.428 2.784) 9.959 3.721 ( -3.226 3.282 0.640) 4.646 3.833 ( 7.202 7.904 1.750) 10.835 3.960 ( -11.120 2.284 -3.436) 11.861 4.082 ( -0.406 -5.037 4.808) 6.976 4.295 ( 3.706 -1.402 4.743) 6.180 4.329 ( 8.826 1.778 0.329) 9.009 4.417 ( 8.433 -4.724 -5.428) 11.086 4.524 ( 2.797 1.852 1.463) 3.660 4.623 ( 2.448 -5.635 -5.583) 8.302 4.801 ( 0.121 -4.375 -3.466) 5.583 4.934 ( -3.628 -8.135 1.277) 8.999 4.965 ( 2.697 -12.273 7.069) 14.417 5.139 ( 4.663 -7.883 -6.587) 11.281 5.210 ( -2.256 -11.491 -2.986) 12.085 5.334 ( -1.213 -3.453 4.048) 5.458 5.481 ( 5.432 -7.502 5.410) 10.726 5.566 ( -3.917 -6.345 -9.630) 12.180 5.701 ( 7.650 5.720 3.754) 10.263 5.742 ( 6.289 1.038 -3.394) 7.221 5.902 ( 2.124 -4.435 -0.406) 4.934 6.048 ( 6.029 -4.825 -0.253) 7.726 6.196 ( 1.493 1.928 1.592) 2.912 6.410 ( -5.642 -4.964 3.468) 8.277 6.543 ( 3.141 0.540 1.595) 3.564 6.745 ( 1.267 -4.178 -5.105) 6.717 6.840 ( 3.459 -3.190 -1.113) 4.836 6.997 ( -1.670 4.046 -3.009) 5.312 7.140 ( -2.937 5.304 1.745) 6.309 7.668 ( -6.526 0.203 4.425) 7.887 7.682 ( -7.200 7.375 3.530) 10.895 7.791 ( -10.750 0.487 -0.076) 10.761 7.893 ( -7.284 2.247 1.578) 7.785 8.056 ( -12.968 2.564 2.263) 13.412 8.108 ( -10.988 -2.511 -2.910) 11.641 8.254 ( -8.182 7.938 -4.682) 12.324 8.307 ( -5.336 3.457 1.391) 6.508 8.417 ( -3.033 0.160 2.661) 4.038 8.703 ( -4.226 5.728 2.725) 7.622 8.924 ( -1.558 1.381 -3.275) 3.881 9.065 ( 7.433 5.217 0.334) 9.087 9.347 ( -5.786 1.865 2.488) 6.569 9.650 ( 1.182 7.361 -4.495) 8.705 9.797 ( -4.059 -5.625 -3.488) 7.764 9.894 ( 2.130 4.635 -1.596) 5.345 10.148 ( 1.263 -5.434 4.977) 7.477 10.340 ( 6.773 -6.917 3.020) 10.141 10.551 ( -1.229 1.417 -7.495) 7.727 10.952 ( 5.824 -4.968 7.217) 10.520 11.248 ( 1.612 0.130 5.325) 5.565 11.342 ( 5.820 -5.251 -8.241) 11.374 11.810 ( 3.887 5.648 -1.697) 7.063 12.054 ( 0.616 3.483 1.323) 3.777 12.128 ( 0.954 -5.004 -1.136) 5.219 12.608 ( -3.586 -5.988 -1.047) 7.057 13.778 ( -0.545 -10.923 0.085) 10.936 13.955 ( -7.574 -7.087 -0.017) 10.373 14.083 ( -3.119 5.644 5.716) 8.617 14.605 ( -1.576 3.623 -1.260) 4.147 14.726 ( -6.452 -0.029 -1.238) 6.569 14.941 ( -1.581 -2.662 -0.184) 3.101 16.673 ( -0.357 0.150 0.014) 0.388 16.687 ( 0.102 -0.954 0.295) 1.004 18.826 ( 0.474 5.379 0.109) 5.401 19.349 ( -0.791 6.593 0.182) 6.643 19.730 ( 0.351 2.880 -1.398) 3.221 20.054 ( 0.421 1.145 -0.465) 1.305 20.220 ( -0.633 -3.159 1.728) 3.656 20.344 ( -0.123 1.030 1.042) 1.470 20.657 ( 0.545 -0.095 -0.291) 0.625 20.778 ( 0.133 1.861 0.240) 1.882 21.015 ( -1.483 14.089 -0.794) 14.189 21.531 ( -18.601 6.146 -3.309) 19.867 22.161 ( -0.727 1.591 -1.154) 2.095 22.276 ( 9.950 1.521 -2.722) 10.427 22.377 ( 4.021 1.728 3.301) 5.481 22.612 ( -0.157 -0.144 -0.025) 0.214 22.681 ( 1.078 1.539 0.517) 1.949 22.719 ( 2.002 4.662 0.944) 5.161 23.251 ( 1.392 -19.835 -0.108) 19.884 23.766 ( -2.258 -7.115 -6.027) 9.594 24.098 ( 0.420 6.337 -5.001) 8.083 24.140 ( 1.341 4.196 8.473) 9.550 25.301 ( -8.320 7.498 0.873) 11.234 25.596 ( -10.535 8.931 -3.178) 14.172 25.701 ( -1.951 3.608 1.922) 4.529 26.015 ( -1.973 16.704 0.297) 16.823 26.570 ( 5.297 -8.884 2.218) 10.578 27.310 ( 29.565 -25.459 2.335) 39.086 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 18.865 18.729 3.287) 26.785 2.031 ( 27.604 19.333 11.992) 35.770 2.597 ( 5.058 4.833 8.250) 10.817 2.968 ( 6.326 3.040 2.289) 7.382 3.171 ( -2.655 9.850 -2.800) 10.579 3.447 ( -0.887 6.481 -3.312) 7.333 3.504 ( -6.300 10.299 -3.442) 12.554 3.606 ( 1.647 -2.110 -1.389) 3.016 3.691 ( -2.756 2.141 -6.047) 6.982 3.828 ( 12.280 6.949 0.514) 14.119 3.899 ( 4.324 -1.529 -2.891) 5.421 4.050 ( -3.872 -4.029 -3.990) 6.867 4.334 ( 0.106 -3.142 10.486) 10.947 4.446 ( 1.179 -1.580 2.923) 3.526 4.552 ( 4.082 -1.701 -4.230) 6.120 4.586 ( 4.143 -2.840 -1.422) 5.220 4.727 ( 1.425 -4.264 0.900) 4.585 4.840 ( 9.032 1.649 0.953) 9.231 4.958 ( 6.413 -7.285 2.921) 10.136 5.174 ( 11.264 -6.721 0.191) 13.118 5.225 ( 6.601 -4.669 1.485) 8.221 5.246 ( 10.261 -9.508 -7.353) 15.804 5.303 ( -2.278 -0.895 -4.315) 4.961 5.571 ( 4.566 -0.926 -2.842) 5.457 5.609 ( 8.729 -7.364 0.822) 11.450 5.800 ( 1.347 -3.323 -4.751) 5.952 5.829 ( 2.844 1.275 1.815) 3.607 5.986 ( 5.224 -3.356 0.670) 6.245 6.152 ( 4.487 -5.444 -2.855) 7.611 6.222 ( -1.231 -0.207 1.594) 2.024 6.371 ( 2.165 0.121 4.050) 4.594 6.562 ( -1.165 -5.032 -0.471) 5.187 6.789 ( 0.181 0.166 -6.101) 6.106 6.916 ( 2.849 -2.325 -0.455) 3.705 7.003 ( 1.754 1.403 -1.737) 2.839 7.037 ( -3.214 4.907 7.397) 9.440 7.402 ( -17.847 0.384 -0.451) 17.857 7.483 ( -14.886 4.907 2.171) 15.824 7.565 ( -11.453 -3.641 1.761) 12.146 7.743 ( -9.209 3.367 6.301) 11.655 7.779 ( -9.074 5.706 -0.243) 10.722 7.937 ( -6.292 -3.891 -1.159) 7.488 8.071 ( -10.487 6.099 1.857) 12.273 8.137 ( -9.503 4.657 -0.692) 10.606 8.302 ( -7.747 2.976 -0.283) 8.304 8.643 ( -0.122 7.189 -3.799) 8.132 8.858 ( -5.263 0.571 1.284) 5.448 9.072 ( -6.830 9.740 0.573) 11.910 9.236 ( -5.783 5.909 -0.357) 8.275 9.688 ( 2.406 3.977 -5.964) 7.561 9.748 ( 2.281 2.395 2.154) 3.947 10.003 ( 4.740 -0.952 -0.263) 4.841 10.182 ( 3.419 -3.427 4.074) 6.327 10.369 ( 0.274 0.460 0.308) 0.617 10.663 ( 7.230 -4.913 -6.521) 10.906 11.039 ( 2.980 -6.710 4.181) 8.449 11.288 ( 1.927 0.095 4.269) 4.685 11.454 ( 5.111 -7.894 -4.666) 10.498 11.880 ( 2.241 3.829 -3.676) 5.761 12.070 ( 0.866 -1.345 2.265) 2.773 12.156 ( 1.945 1.970 -1.702) 3.250 12.525 ( -4.160 0.963 0.737) 4.333 13.750 ( -2.135 -11.331 0.104) 11.531 13.831 ( -4.276 -9.403 0.220) 10.332 14.006 ( -3.905 7.276 5.633) 9.996 14.569 ( -1.822 2.063 -1.313) 3.049 14.612 ( -4.698 0.851 -1.258) 4.937 14.913 ( -1.066 -4.649 -0.226) 4.775 16.668 ( -0.159 0.080 -0.076) 0.194 16.689 ( 0.067 -0.928 0.366) 1.000 18.833 ( 0.159 5.252 0.171) 5.258 19.330 ( -1.067 6.468 0.192) 6.558 19.735 ( 0.110 2.423 -1.626) 2.920 20.063 ( 0.444 1.447 -0.479) 1.587 20.217 ( 0.374 -2.265 2.572) 3.447 20.346 ( 0.248 1.750 0.852) 1.963 20.670 ( 0.581 -0.816 -0.457) 1.101 20.783 ( 0.393 2.182 0.245) 2.231 20.980 ( -1.796 12.497 -0.982) 12.663 21.221 ( -12.510 6.863 -2.895) 14.559 22.149 ( -0.412 1.760 -0.782) 1.970 22.402 ( 4.406 3.425 -5.476) 7.819 22.466 ( 3.696 3.906 5.370) 7.600 22.618 ( 0.715 -1.802 0.534) 2.011 22.685 ( -0.484 3.634 -0.548) 3.707 22.774 ( 2.823 0.833 1.765) 3.432 23.274 ( 0.784 -20.018 0.008) 20.034 23.724 ( -1.596 -5.700 -6.281) 8.631 24.110 ( 0.850 5.790 -5.980) 8.367 24.159 ( 0.249 5.676 9.829) 11.353 25.105 ( -8.040 19.030 0.991) 20.682 25.509 ( -0.435 5.949 -1.255) 6.096 25.722 ( 1.473 -0.153 1.108) 1.850 25.972 ( -2.159 17.181 0.601) 17.326 26.655 ( 3.664 -8.427 -0.197) 9.191 27.759 ( 15.205 -35.172 2.319) 38.387 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 20.905 -0.064 -1.090) 20.934 2.549 ( 20.920 13.583 8.727) 26.426 2.678 ( 0.855 10.240 6.368) 12.089 2.885 ( -14.484 9.241 3.245) 17.485 3.061 ( -0.556 9.229 -6.469) 11.284 3.239 ( -13.453 7.831 -4.596) 16.231 3.400 ( -3.283 6.092 2.841) 7.481 3.587 ( -0.107 -15.650 -3.188) 15.972 3.772 ( 5.833 -3.436 -7.446) 10.063 3.842 ( -0.840 -3.505 2.360) 4.308 3.972 ( -4.383 0.201 1.808) 4.745 4.194 ( 6.694 -5.934 -1.144) 9.018 4.384 ( 0.101 -7.343 -1.138) 7.432 4.480 ( -3.870 0.276 2.660) 4.705 4.553 ( 11.716 3.106 10.104) 15.780 4.653 ( -2.721 -5.433 -9.247) 11.065 4.732 ( 3.938 7.349 -2.119) 8.603 5.020 ( 3.471 1.295 2.872) 4.688 5.122 ( 6.799 2.104 6.218) 9.451 5.229 ( 1.336 -7.213 -3.511) 8.133 5.303 ( 1.068 -7.502 -3.295) 8.263 5.437 ( 16.418 -5.229 -0.681) 17.244 5.579 ( 10.563 1.468 -1.208) 10.733 5.702 ( 7.106 1.134 1.566) 7.364 5.740 ( -4.666 -5.407 -3.013) 7.751 5.818 ( 8.468 -0.616 0.324) 8.497 5.890 ( -1.248 -1.675 0.354) 2.119 5.953 ( -5.062 -6.805 -1.830) 8.676 6.164 ( -2.716 -1.695 -1.069) 3.376 6.211 ( -1.814 -6.586 -1.340) 6.961 6.399 ( -0.170 -2.914 0.285) 2.933 6.540 ( 1.335 2.460 -1.046) 2.988 6.753 ( 1.278 -6.424 -0.088) 6.550 6.929 ( -6.046 1.075 0.667) 6.177 6.983 ( 1.391 -0.770 3.541) 3.881 7.064 ( -0.236 0.180 -1.579) 1.607 7.147 ( -9.836 6.480 3.178) 12.200 7.218 ( -2.919 2.154 -2.192) 4.239 7.310 ( -11.166 -3.888 1.654) 11.939 7.629 ( -3.058 5.818 1.731) 6.797 7.691 ( 0.980 0.346 3.886) 4.022 7.857 ( -2.165 -1.551 -0.486) 2.707 7.925 ( -4.309 6.596 -3.666) 8.690 7.961 ( -7.119 0.032 2.160) 7.440 8.163 ( -4.225 7.148 -0.872) 8.349 8.699 ( 4.235 15.651 -4.652) 16.868 8.746 ( -3.903 0.415 -0.312) 3.937 8.913 ( -7.373 7.498 4.494) 11.436 9.137 ( -2.968 6.780 -1.051) 7.475 9.733 ( 1.728 7.689 -3.223) 8.514 9.809 ( 1.772 0.318 3.118) 3.601 10.036 ( -0.096 -5.822 0.233) 5.828 10.276 ( 3.975 1.850 0.829) 4.463 10.397 ( 1.549 0.675 -0.408) 1.738 10.748 ( 1.627 -2.836 -2.727) 4.257 11.075 ( 0.798 -7.056 1.178) 7.198 11.315 ( 0.705 -0.893 1.585) 1.951 11.533 ( 2.547 -10.349 -1.058) 10.710 11.889 ( -0.507 3.239 -2.216) 3.958 12.082 ( 0.223 -7.443 0.938) 7.505 12.195 ( 1.431 10.933 -0.734) 11.050 12.465 ( -1.642 2.021 1.092) 2.823 13.724 ( -0.167 -14.551 0.135) 14.553 13.769 ( -2.225 -8.420 -0.277) 8.713 13.953 ( -1.321 7.670 2.449) 8.159 14.542 ( -0.767 0.848 0.292) 1.180 14.547 ( -1.728 1.035 -1.282) 2.388 14.900 ( -0.271 -6.219 -0.125) 6.227 16.666 ( -0.003 0.023 -0.060) 0.064 16.690 ( 0.003 -0.946 0.171) 0.962 18.834 ( -0.005 5.240 0.080) 5.241 19.313 ( -0.501 6.360 0.078) 6.380 19.735 ( -0.021 2.175 -0.694) 2.283 20.069 ( 0.176 1.554 -0.184) 1.575 20.229 ( 0.496 -2.215 1.299) 2.615 20.351 ( 0.202 2.591 0.269) 2.613 20.677 ( 0.142 -1.328 -0.300) 1.369 20.793 ( 0.389 2.617 0.175) 2.652 20.957 ( -0.275 11.426 -0.538) 11.442 21.043 ( -5.201 6.666 -1.061) 8.521 22.144 ( -0.091 1.691 -0.235) 1.710 22.467 ( 2.006 3.378 -3.669) 5.375 22.511 ( 0.904 8.699 3.454) 9.403 22.638 ( 1.268 -2.126 1.698) 3.002 22.665 ( -1.335 0.393 -1.649) 2.158 22.815 ( 1.143 0.543 0.824) 1.510 23.282 ( 0.146 -19.953 0.026) 19.953 23.704 ( -0.474 -5.027 -2.586) 5.673 24.128 ( 0.917 4.869 -6.174) 7.916 24.154 ( -0.675 7.914 7.889) 11.195 25.009 ( -2.112 19.139 0.300) 19.258 25.514 ( 0.398 5.148 -0.425) 5.180 25.741 ( 0.418 -1.308 0.539) 1.475 25.939 ( -0.928 18.256 0.165) 18.280 26.709 ( 1.521 -9.373 -0.266) 9.500 27.941 ( 4.144 -35.063 0.792) 35.316 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 27.572 0.000) 27.572 2.333 ( 0.000 32.739 0.000) 32.739 2.604 ( 0.000 5.271 0.000) 5.271 2.752 ( 0.000 1.696 0.000) 1.696 3.189 ( 0.000 29.649 0.000) 29.649 3.438 ( 0.000 1.648 0.000) 1.648 3.543 ( 0.000 -10.703 0.000) 10.703 3.724 ( 0.000 0.456 0.000) 0.456 3.753 ( 0.000 -0.021 0.000) 0.021 3.887 ( 0.000 4.995 0.000) 4.995 3.999 ( 0.000 -5.719 0.000) 5.719 4.001 ( 0.000 -8.334 0.000) 8.334 4.120 ( 0.000 1.595 0.000) 1.595 4.316 ( 0.000 -1.710 0.000) 1.710 4.415 ( 0.000 0.088 0.000) 0.088 4.434 ( 0.000 4.036 0.000) 4.036 4.612 ( 0.000 -15.982 0.000) 15.982 4.650 ( 0.000 8.640 0.000) 8.640 4.768 ( 0.000 0.283 0.000) 0.283 4.801 ( 0.000 -18.071 0.000) 18.071 4.904 ( 0.000 -5.545 0.000) 5.545 5.005 ( 0.000 0.149 0.000) 0.149 5.169 ( 0.000 -6.838 0.000) 6.838 5.450 ( 0.000 -3.668 0.000) 3.668 5.531 ( 0.000 4.451 0.000) 4.451 5.651 ( 0.000 3.658 0.000) 3.658 5.802 ( 0.000 0.036 0.000) 0.036 5.812 ( 0.000 0.838 0.000) 0.838 5.995 ( 0.000 3.725 0.000) 3.725 6.196 ( 0.000 -0.277 0.000) 0.277 6.321 ( 0.000 -9.156 0.000) 9.156 6.511 ( 0.000 -1.496 0.000) 1.496 6.612 ( 0.000 -3.916 0.000) 3.916 6.730 ( 0.000 -3.757 0.000) 3.757 7.095 ( 0.000 1.884 0.000) 1.884 7.249 ( 0.000 2.875 0.000) 2.875 7.693 ( 0.000 2.097 0.000) 2.097 7.908 ( 0.000 0.086 0.000) 0.086 7.920 ( 0.000 1.420 0.000) 1.420 8.044 ( 0.000 3.414 0.000) 3.414 8.184 ( 0.000 -1.011 0.000) 1.011 8.264 ( 0.000 -1.443 0.000) 1.443 8.341 ( 0.000 -0.455 0.000) 0.455 8.394 ( 0.000 0.845 0.000) 0.845 8.617 ( 0.000 9.035 0.000) 9.035 8.752 ( 0.000 0.133 0.000) 0.133 9.009 ( 0.000 2.520 0.000) 2.520 9.022 ( 0.000 4.106 0.000) 4.106 9.346 ( 0.000 -2.117 0.000) 2.117 9.726 ( 0.000 -0.959 0.000) 0.959 9.862 ( 0.000 1.314 0.000) 1.314 9.965 ( 0.000 4.388 0.000) 4.388 10.086 ( 0.000 -6.403 0.000) 6.403 10.089 ( 0.000 5.829 0.000) 5.829 10.655 ( 0.000 -1.014 0.000) 1.014 10.749 ( 0.000 -6.006 0.000) 6.006 11.217 ( 0.000 0.173 0.000) 0.173 11.247 ( 0.000 -0.587 0.000) 0.587 11.849 ( 0.000 2.338 0.000) 2.338 12.005 ( 0.000 -5.029 0.000) 5.029 12.074 ( 0.000 -1.723 0.000) 1.723 12.404 ( 0.000 -12.844 0.000) 12.844 13.601 ( 0.000 -6.153 0.000) 6.153 13.870 ( 0.000 -8.747 0.000) 8.747 14.231 ( 0.000 5.738 0.000) 5.738 14.719 ( 0.000 5.343 0.000) 5.343 14.733 ( 0.000 -5.463 0.000) 5.463 14.941 ( 0.000 -0.188 0.000) 0.188 16.680 ( 0.000 0.280 0.000) 0.280 16.685 ( 0.000 0.537 0.000) 0.537 18.997 ( 0.000 11.772 0.000) 11.772 19.496 ( 0.000 6.770 0.000) 6.770 19.832 ( 0.000 6.670 0.000) 6.670 20.037 ( 0.000 -2.315 0.000) 2.315 20.150 ( 0.000 -3.490 0.000) 3.490 20.338 ( 0.000 -1.874 0.000) 1.874 20.662 ( 0.000 1.010 0.000) 1.010 20.784 ( 0.000 -0.749 0.000) 0.749 21.265 ( 0.000 8.859 0.000) 8.859 21.857 ( 0.000 -2.810 0.000) 2.810 22.108 ( 0.000 3.333 0.000) 3.333 22.202 ( 0.000 1.783 0.000) 1.783 22.383 ( 0.000 2.076 0.000) 2.076 22.590 ( 0.000 -3.247 0.000) 3.247 22.645 ( 0.000 1.188 0.000) 1.188 22.897 ( 0.000 -13.490 0.000) 13.490 22.917 ( 0.000 11.932 0.000) 11.932 23.628 ( 0.000 -8.039 0.000) 8.039 24.196 ( 0.000 4.085 0.000) 4.085 24.235 ( 0.000 6.227 0.000) 6.227 25.403 ( 0.000 2.610 0.000) 2.610 25.637 ( 0.000 -0.688 0.000) 0.688 25.997 ( 0.000 -0.360 0.000) 0.360 26.186 ( 0.000 -10.710 0.000) 10.710 26.354 ( 0.000 13.672 0.000) 13.672 26.873 ( 0.000 -1.012 0.000) 1.012 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 10.275 23.583 7.325) 26.747 2.283 ( -0.656 32.495 5.386) 32.944 2.597 ( 1.444 3.772 -4.550) 6.084 2.871 ( 9.741 4.590 11.432) 15.705 3.395 ( 3.551 6.859 -3.177) 8.352 3.453 ( 0.692 1.402 -3.201) 3.563 3.531 ( 10.172 5.236 -1.888) 11.595 3.657 ( -2.875 2.404 -3.416) 5.071 3.752 ( 0.990 -2.241 -1.055) 2.667 3.843 ( -5.310 -1.539 7.471) 9.294 3.978 ( 1.240 0.429 -4.119) 4.323 4.150 ( -1.869 6.938 -4.159) 8.303 4.159 ( 9.082 -10.760 -1.176) 14.130 4.331 ( -0.083 1.454 3.598) 3.881 4.392 ( 2.661 0.728 3.197) 4.222 4.569 ( 7.621 -2.314 -1.653) 8.134 4.611 ( -0.258 -12.326 2.070) 12.501 4.671 ( 0.010 6.837 -2.357) 7.232 4.713 ( 7.402 -4.084 0.093) 8.454 4.848 ( -0.839 -4.482 -0.812) 4.632 4.886 ( 4.910 -9.084 -4.503) 11.265 5.085 ( 6.548 -3.824 -8.331) 11.265 5.259 ( 4.529 -2.908 4.040) 6.729 5.358 ( -1.875 -3.195 7.142) 8.046 5.492 ( -3.842 -0.372 -5.431) 6.663 5.795 ( 9.439 2.475 0.629) 9.778 5.797 ( -0.529 0.122 -2.616) 2.672 5.873 ( 4.222 1.708 6.185) 7.681 5.990 ( 0.795 0.300 -5.896) 5.957 6.216 ( 0.462 -0.913 2.172) 2.401 6.282 ( -1.085 -5.662 1.938) 6.082 6.506 ( -0.802 -3.913 -1.421) 4.239 6.697 ( 7.644 -1.045 -1.215) 7.811 6.752 ( 2.381 -5.067 -0.775) 5.652 7.050 ( -4.214 1.070 -2.932) 5.244 7.230 ( -2.272 3.457 2.836) 5.015 7.668 ( -4.993 0.731 0.165) 5.049 7.756 ( -15.176 -0.451 1.932) 15.306 7.817 ( -9.579 0.778 -0.096) 9.611 7.934 ( -5.579 1.327 2.316) 6.185 8.079 ( -8.727 3.205 0.728) 9.325 8.136 ( -11.364 3.270 -0.461) 11.835 8.319 ( -8.208 -0.094 2.172) 8.491 8.401 ( -1.533 -1.972 4.304) 4.976 8.447 ( -5.612 8.117 -3.156) 10.361 8.787 ( -4.039 2.533 0.686) 4.817 8.942 ( -2.663 1.431 -4.105) 5.098 9.148 ( 9.125 2.860 0.064) 9.563 9.402 ( 2.551 3.492 5.645) 7.111 9.673 ( -1.442 -1.080 -6.328) 6.580 9.902 ( 2.731 6.963 -3.881) 8.426 9.941 ( -1.921 2.775 -1.743) 3.799 10.064 ( 0.544 -3.183 3.254) 4.584 10.228 ( 9.214 -2.225 3.793) 10.209 10.580 ( -2.762 0.991 -3.935) 4.909 10.840 ( 5.118 -6.075 4.403) 9.082 11.236 ( 1.601 -2.688 -2.556) 4.040 11.261 ( 1.291 -1.213 0.599) 1.870 11.877 ( 2.339 1.266 -3.012) 4.018 12.010 ( -0.483 -4.358 -0.512) 4.415 12.102 ( 3.679 -1.098 3.659) 5.303 12.419 ( 1.270 -11.803 -0.620) 11.887 13.595 ( -0.859 -6.362 -0.137) 6.421 13.803 ( -6.012 -7.100 0.757) 9.334 14.206 ( -2.428 5.744 2.742) 6.812 14.675 ( -4.598 -3.399 -3.241) 6.572 14.694 ( -2.815 3.844 1.309) 4.941 14.911 ( -2.761 -0.556 0.075) 2.817 16.679 ( -0.092 0.421 0.097) 0.441 16.683 ( -0.086 0.465 0.071) 0.478 19.000 ( 0.293 11.689 0.133) 11.693 19.487 ( -0.863 6.760 0.430) 6.828 19.831 ( -0.109 6.456 -1.459) 6.620 20.046 ( 0.806 -2.146 -0.161) 2.298 20.153 ( 0.357 -3.084 1.119) 3.300 20.341 ( 0.328 -1.658 0.708) 1.833 20.662 ( -0.039 0.779 -0.206) 0.806 20.787 ( 0.274 -0.698 -0.054) 0.752 21.236 ( -2.728 8.255 -0.313) 8.699 21.607 ( -16.019 1.451 -3.194) 16.398 22.192 ( -0.351 1.370 -0.904) 1.679 22.313 ( 11.292 1.094 1.919) 11.506 22.412 ( 2.738 1.536 -0.477) 3.175 22.583 ( -0.381 -2.335 0.615) 2.444 22.677 ( 2.641 0.576 1.444) 3.064 22.901 ( 0.382 -13.626 -2.838) 13.923 22.916 ( -0.045 11.248 3.096) 11.666 23.615 ( -1.058 -7.517 -2.888) 8.122 24.197 ( 0.128 4.196 -1.414) 4.429 24.254 ( 1.653 5.943 1.418) 6.330 25.400 ( -0.458 4.018 0.522) 4.078 25.642 ( 0.180 -0.348 -1.145) 1.211 25.833 ( -9.022 5.668 -0.298) 10.659 26.289 ( 3.071 -1.915 -0.678) 3.683 26.371 ( 2.686 2.442 5.059) 6.226 26.995 ( 10.737 -8.685 -1.022) 13.847 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.738 16.438 5.334) 17.920 2.473 ( 18.637 24.091 7.647) 31.404 2.691 ( 7.979 4.872 0.835) 9.386 3.061 ( 7.806 5.461 9.094) 13.170 3.315 ( -5.941 5.925 -2.295) 8.699 3.422 ( -4.238 -8.631 -7.626) 12.273 3.561 ( -1.468 1.348 1.786) 2.676 3.673 ( -7.860 3.328 -1.927) 8.750 3.755 ( -1.465 1.308 -2.553) 3.221 3.789 ( -1.216 -0.744 3.274) 3.571 4.012 ( -6.788 -0.291 -1.931) 7.063 4.171 ( 6.830 10.921 -2.190) 13.066 4.248 ( -1.232 -3.941 4.436) 6.061 4.322 ( 7.572 -6.981 0.706) 10.323 4.465 ( 6.794 -0.430 -5.691) 8.873 4.582 ( 2.322 -3.328 0.203) 4.063 4.685 ( -2.019 -4.106 -2.077) 5.025 4.815 ( 11.076 0.306 4.055) 11.798 4.917 ( 16.703 4.700 3.178) 17.640 4.992 ( 7.253 -8.796 -3.804) 12.019 5.122 ( 18.842 -7.576 -2.254) 20.433 5.170 ( 6.430 0.503 -4.340) 7.774 5.276 ( -2.667 -2.745 -1.416) 4.081 5.425 ( 8.063 -8.235 -3.421) 12.022 5.525 ( 7.116 0.134 3.014) 7.729 5.736 ( -2.996 -1.878 -4.462) 5.693 5.906 ( -0.626 -0.724 1.229) 1.558 5.923 ( 0.450 -0.825 1.024) 1.390 6.088 ( 7.114 0.751 -3.419) 7.928 6.200 ( -1.001 -2.926 0.744) 3.181 6.311 ( 3.589 -3.874 3.167) 6.157 6.525 ( 2.917 -0.371 -1.311) 3.219 6.774 ( -5.406 -2.123 -1.090) 5.909 6.807 ( 2.023 -6.931 -1.358) 7.347 7.012 ( 5.234 1.165 4.916) 7.274 7.168 ( -4.001 6.151 -0.017) 7.338 7.389 ( -15.411 -2.418 1.346) 15.657 7.468 ( -15.290 -3.427 -1.312) 15.724 7.614 ( -13.691 5.617 -1.400) 14.865 7.796 ( -9.283 1.285 5.675) 10.956 7.874 ( -12.502 4.022 0.876) 13.162 7.913 ( -6.859 1.943 0.341) 7.137 8.114 ( -10.564 -1.623 3.552) 11.262 8.240 ( -9.379 4.296 -0.253) 10.319 8.418 ( -2.610 8.180 0.352) 8.593 8.753 ( 2.267 4.359 -8.022) 9.407 8.877 ( -3.584 2.243 0.975) 4.339 9.226 ( -2.119 4.525 3.148) 5.906 9.382 ( -2.878 7.588 1.344) 8.226 9.751 ( 6.228 1.458 -2.920) 7.032 9.863 ( -2.091 9.366 -0.458) 9.607 9.971 ( 0.735 -1.897 -2.108) 2.929 10.151 ( 8.370 -0.209 1.907) 8.587 10.370 ( 4.647 -0.528 4.983) 6.834 10.602 ( 4.291 -0.864 -7.634) 8.799 10.922 ( 3.203 -5.103 4.069) 7.270 11.258 ( 0.301 -6.545 0.414) 6.565 11.293 ( 1.825 -4.051 -1.763) 4.780 11.917 ( 1.369 -0.284 -4.780) 4.980 11.981 ( -2.018 -3.688 0.711) 4.263 12.210 ( 6.316 0.063 4.381) 7.687 12.438 ( 0.279 -9.039 -0.824) 9.081 13.552 ( -3.719 -6.780 0.515) 7.750 13.684 ( -4.710 -5.384 0.336) 7.162 14.149 ( -2.907 6.256 3.025) 7.532 14.583 ( -3.977 -3.482 -2.227) 5.736 14.630 ( -3.318 3.938 0.082) 5.150 14.850 ( -2.985 -1.755 -0.007) 3.462 16.676 ( -0.159 0.685 -0.023) 0.703 16.683 ( 0.036 0.266 0.205) 0.338 19.005 ( 0.106 11.602 0.155) 11.604 19.466 ( -1.123 6.777 0.523) 6.889 19.828 ( -0.239 6.111 -1.769) 6.367 20.063 ( 0.841 -1.743 -0.484) 1.995 20.166 ( 0.934 -2.405 1.840) 3.169 20.352 ( 0.673 -1.368 0.903) 1.772 20.661 ( -0.050 0.256 -0.465) 0.533 20.795 ( 0.555 -0.671 -0.071) 0.874 21.173 ( -3.221 7.026 -0.089) 7.730 21.328 ( -11.559 3.663 -2.916) 12.471 22.182 ( -0.426 1.608 -0.963) 1.922 22.478 ( 3.593 -0.643 -0.445) 3.677 22.486 ( 6.103 1.896 0.878) 6.450 22.580 ( 0.042 -1.884 0.672) 2.001 22.729 ( 2.121 1.772 1.965) 3.391 22.907 ( 0.238 -8.285 -7.631) 11.266 22.918 ( 0.163 4.238 8.035) 9.085 23.594 ( -0.913 -6.825 -3.314) 7.642 24.201 ( 0.272 4.063 -1.449) 4.323 24.289 ( 1.615 6.057 1.375) 6.418 25.377 ( -1.818 8.870 0.707) 9.082 25.630 ( -1.086 4.201 -2.410) 4.963 25.730 ( -1.897 2.586 2.701) 4.193 26.301 ( -0.283 13.105 -2.506) 13.346 26.433 ( 2.534 -11.954 4.203) 12.922 27.211 ( 9.503 -19.122 -0.110) 21.353 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.086 5.369 1.134) 6.296 2.867 ( 16.803 15.423 7.464) 23.998 2.905 ( 14.290 10.730 6.186) 18.910 3.108 ( -6.443 8.212 -4.681) 11.440 3.194 ( -4.179 1.903 1.073) 4.716 3.335 ( -1.854 -4.552 -5.491) 7.369 3.406 ( -14.443 8.361 -1.379) 16.745 3.565 ( -0.681 9.301 0.201) 9.328 3.725 ( 0.038 -0.103 -5.020) 5.022 3.772 ( -0.980 -2.523 1.532) 3.110 3.948 ( -1.208 -3.012 3.259) 4.600 4.126 ( 0.390 -2.220 3.819) 4.434 4.200 ( -4.377 -5.720 -0.742) 7.241 4.458 ( 2.970 -7.951 4.370) 9.546 4.558 ( -3.128 -1.592 -7.284) 8.085 4.567 ( 0.657 1.208 -1.539) 2.063 4.872 ( 12.771 1.539 -2.376) 13.081 4.967 ( 3.391 -7.512 8.766) 12.032 5.067 ( 3.305 -4.626 -1.101) 5.791 5.158 ( -2.370 -5.437 -7.914) 9.890 5.235 ( 6.731 2.513 0.399) 7.195 5.379 ( 16.211 2.341 5.009) 17.128 5.525 ( 4.410 -7.741 -2.478) 9.247 5.602 ( 12.090 -7.984 -2.602) 14.720 5.667 ( 6.437 -1.031 -0.043) 6.519 5.765 ( 2.874 -3.258 -0.593) 4.385 5.799 ( -2.516 -4.813 -1.112) 5.544 5.915 ( -1.758 -0.708 -3.346) 3.846 6.140 ( -6.253 -1.469 1.535) 6.605 6.165 ( -1.007 2.296 -1.862) 3.123 6.364 ( -1.768 -0.277 1.980) 2.669 6.535 ( -0.040 -2.713 0.068) 2.714 6.673 ( 1.687 -1.000 1.489) 2.462 6.868 ( 3.376 -6.363 2.535) 7.636 7.023 ( -7.315 3.238 1.760) 8.191 7.066 ( -5.033 0.078 -1.375) 5.218 7.200 ( -3.929 0.738 -1.303) 4.205 7.255 ( -8.528 1.208 -3.382) 9.254 7.377 ( -2.513 8.459 3.647) 9.549 7.666 ( -2.019 -1.964 0.168) 2.822 7.681 ( -2.620 -1.211 2.324) 3.705 7.810 ( -7.313 -2.737 -1.091) 7.884 7.953 ( -3.418 1.273 5.643) 6.719 8.058 ( -7.721 4.939 -3.055) 9.661 8.367 ( -1.539 11.895 -0.731) 12.016 8.771 ( -1.505 2.051 -1.347) 2.879 8.914 ( 7.290 7.877 -5.484) 12.053 9.134 ( -6.025 11.013 5.830) 13.841 9.312 ( -2.962 9.862 -0.151) 10.298 9.833 ( 1.496 4.277 -2.750) 5.300 9.872 ( 3.170 -0.250 5.332) 6.209 9.948 ( -2.961 1.884 -3.723) 5.116 10.310 ( 5.411 1.618 0.546) 5.674 10.443 ( 2.585 3.561 2.230) 4.933 10.675 ( 2.109 -4.245 -3.966) 6.180 10.966 ( 1.108 -3.697 1.549) 4.158 11.252 ( -0.481 -9.736 0.754) 9.777 11.323 ( 1.008 -6.030 -0.979) 6.191 11.927 ( 0.036 0.146 -4.056) 4.058 11.946 ( -1.209 -4.608 2.252) 5.269 12.319 ( 3.875 0.304 2.649) 4.704 12.426 ( -1.173 -6.157 -1.009) 6.348 13.481 ( -2.271 -7.257 0.528) 7.622 13.627 ( -1.399 -5.558 -0.214) 5.736 14.108 ( -1.087 6.716 1.259) 6.919 14.528 ( -1.419 -3.028 -0.748) 3.427 14.579 ( -1.465 3.137 -0.081) 3.463 14.807 ( -1.164 -3.013 -0.055) 3.230 16.674 ( -0.024 0.696 -0.035) 0.697 16.684 ( -0.006 0.256 0.110) 0.279 19.005 ( -0.023 11.571 0.064) 11.571 19.449 ( -0.512 6.827 0.229) 6.850 19.823 ( -0.136 5.939 -0.771) 5.991 20.075 ( 0.329 -1.391 -0.303) 1.461 20.184 ( 0.604 -2.093 0.983) 2.390 20.364 ( 0.396 -1.264 0.412) 1.387 20.659 ( -0.074 -0.094 -0.315) 0.337 20.806 ( 0.407 -0.804 0.004) 0.901 21.128 ( -0.813 5.990 0.547) 6.070 21.164 ( -4.874 4.902 -1.722) 7.124 22.176 ( -0.144 1.641 -0.365) 1.687 22.535 ( 1.769 -1.874 -0.643) 2.656 22.562 ( 1.884 1.366 0.255) 2.341 22.582 ( 0.032 -1.882 0.651) 1.992 22.753 ( 0.420 5.066 0.845) 5.153 22.912 ( 0.346 -11.915 -5.746) 13.233 22.921 ( -0.031 6.134 6.024) 8.597 23.581 ( -0.319 -6.590 -1.412) 6.747 24.206 ( 0.152 3.831 -0.634) 3.887 24.312 ( 0.619 6.531 0.597) 6.587 25.343 ( -1.118 13.136 0.314) 13.188 25.620 ( -0.011 5.725 -0.858) 5.789 25.714 ( -0.311 -1.140 1.211) 1.692 26.296 ( -0.148 16.431 -1.051) 16.465 26.466 ( 0.836 -14.859 1.333) 14.942 27.340 ( 3.303 -23.388 0.073) 23.620 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 0.000 20.890 0.000) 20.890 2.674 ( 0.000 1.173 0.000) 1.173 2.796 ( 0.000 7.355 0.000) 7.355 2.934 ( 0.000 22.477 0.000) 22.477 3.275 ( 0.000 -11.697 0.000) 11.697 3.443 ( 0.000 1.244 0.000) 1.244 3.521 ( 0.000 3.168 0.000) 3.168 3.623 ( 0.000 -7.840 0.000) 7.840 3.733 ( 0.000 -8.790 0.000) 8.790 3.798 ( 0.000 -8.445 0.000) 8.445 3.941 ( 0.000 3.783 0.000) 3.783 3.943 ( 0.000 -0.418 0.000) 0.418 4.152 ( 0.000 -2.611 0.000) 2.611 4.252 ( 0.000 -2.822 0.000) 2.822 4.397 ( 0.000 -0.119 0.000) 0.119 4.432 ( 0.000 -6.858 0.000) 6.858 4.437 ( 0.000 -2.380 0.000) 2.380 4.496 ( 0.000 -8.252 0.000) 8.252 4.825 ( 0.000 5.135 0.000) 5.135 4.847 ( 0.000 9.979 0.000) 9.979 4.958 ( 0.000 5.381 0.000) 5.381 5.015 ( 0.000 1.118 0.000) 1.118 5.251 ( 0.000 14.648 0.000) 14.648 5.403 ( 0.000 -0.675 0.000) 0.675 5.583 ( 0.000 0.020 0.000) 0.020 5.675 ( 0.000 -7.769 0.000) 7.769 5.720 ( 0.000 2.507 0.000) 2.507 5.869 ( 0.000 -0.902 0.000) 0.902 6.065 ( 0.000 2.400 0.000) 2.400 6.171 ( 0.000 -3.668 0.000) 3.668 6.217 ( 0.000 1.920 0.000) 1.920 6.455 ( 0.000 -0.135 0.000) 0.135 6.558 ( 0.000 -5.113 0.000) 5.113 6.653 ( 0.000 -4.271 0.000) 4.271 7.118 ( 0.000 1.968 0.000) 1.968 7.266 ( 0.000 -1.386 0.000) 1.386 7.777 ( 0.000 5.131 0.000) 5.131 7.906 ( 0.000 0.685 0.000) 0.685 7.911 ( 0.000 -2.751 0.000) 2.751 8.008 ( 0.000 -2.679 0.000) 2.679 8.212 ( 0.000 0.033 0.000) 0.033 8.221 ( 0.000 -2.456 0.000) 2.456 8.345 ( 0.000 1.819 0.000) 1.819 8.407 ( 0.000 0.200 0.000) 0.200 8.733 ( 0.000 2.610 0.000) 2.610 8.747 ( 0.000 -0.154 0.000) 0.154 9.066 ( 0.000 2.705 0.000) 2.705 9.085 ( 0.000 2.033 0.000) 2.033 9.367 ( 0.000 4.844 0.000) 4.844 9.731 ( 0.000 -9.542 0.000) 9.542 9.759 ( 0.000 3.588 0.000) 3.588 9.948 ( 0.000 -5.477 0.000) 5.477 10.164 ( 0.000 7.519 0.000) 7.519 10.194 ( 0.000 4.347 0.000) 4.347 10.623 ( 0.000 -1.600 0.000) 1.600 10.649 ( 0.000 -3.562 0.000) 3.562 11.231 ( 0.000 0.945 0.000) 0.945 11.244 ( 0.000 0.168 0.000) 0.168 11.876 ( 0.000 0.994 0.000) 0.994 11.933 ( 0.000 -1.740 0.000) 1.740 12.000 ( 0.000 -4.504 0.000) 4.504 12.157 ( 0.000 -11.290 0.000) 11.290 13.550 ( 0.000 0.628 0.000) 0.628 13.716 ( 0.000 -6.679 0.000) 6.679 14.343 ( 0.000 5.791 0.000) 5.791 14.607 ( 0.000 -6.911 0.000) 6.911 14.824 ( 0.000 4.815 0.000) 4.815 14.935 ( 0.000 -0.771 0.000) 0.771 16.690 ( 0.000 0.624 0.000) 0.624 16.696 ( 0.000 0.421 0.000) 0.421 19.261 ( 0.000 13.915 0.000) 13.915 19.593 ( 0.000 1.600 0.000) 1.600 19.950 ( 0.000 3.528 0.000) 3.528 19.971 ( 0.000 -3.224 0.000) 3.224 20.107 ( 0.000 0.294 0.000) 0.294 20.273 ( 0.000 -4.376 0.000) 4.376 20.693 ( 0.000 1.871 0.000) 1.871 20.760 ( 0.000 -1.458 0.000) 1.458 21.411 ( 0.000 6.643 0.000) 6.643 21.735 ( 0.000 -8.660 0.000) 8.660 22.184 ( 0.000 4.055 0.000) 4.055 22.237 ( 0.000 1.469 0.000) 1.469 22.409 ( 0.000 0.901 0.000) 0.901 22.527 ( 0.000 -3.709 0.000) 3.709 22.666 ( 0.000 0.721 0.000) 0.721 22.712 ( 0.000 -4.927 0.000) 4.927 23.148 ( 0.000 10.675 0.000) 10.675 23.478 ( 0.000 -7.088 0.000) 7.088 24.277 ( 0.000 3.757 0.000) 3.757 24.325 ( 0.000 2.486 0.000) 2.486 25.468 ( 0.000 3.883 0.000) 3.883 25.615 ( 0.000 -1.904 0.000) 1.904 25.973 ( 0.000 -1.677 0.000) 1.677 26.009 ( 0.000 -6.302 0.000) 6.302 26.591 ( 0.000 10.011 0.000) 10.011 26.837 ( 0.000 -2.851 0.000) 2.851 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 4.683 19.109 4.587) 20.202 2.686 ( 1.740 5.613 -4.033) 7.127 2.848 ( 0.241 19.905 1.291) 19.948 2.950 ( 9.008 5.001 10.925) 15.017 3.251 ( -3.060 -13.345 -1.512) 13.775 3.399 ( -2.857 -0.556 -0.112) 2.913 3.602 ( 0.445 -7.992 -0.480) 8.019 3.681 ( 3.698 -0.722 1.166) 3.944 3.703 ( 2.603 3.743 -0.049) 4.559 3.826 ( -0.361 -1.028 6.367) 6.460 3.976 ( 8.649 -3.758 -5.843) 11.094 4.024 ( 7.296 -6.312 -5.490) 11.099 4.159 ( -3.710 -2.700 -2.300) 5.132 4.309 ( -0.309 0.339 9.731) 9.742 4.383 ( 2.320 1.261 -2.573) 3.687 4.459 ( 6.624 -9.538 -0.412) 11.620 4.553 ( 4.566 -1.948 -3.483) 6.064 4.574 ( 12.580 -6.227 4.960) 14.887 4.732 ( -6.115 3.199 -5.700) 8.951 4.875 ( 2.095 6.941 0.257) 7.255 4.981 ( 2.310 9.521 -0.524) 9.811 5.059 ( 5.534 1.675 -6.838) 8.955 5.298 ( 1.528 5.878 -1.891) 6.361 5.336 ( -4.665 0.793 -0.171) 4.735 5.532 ( 0.168 4.363 1.421) 4.592 5.728 ( 5.291 -5.663 0.224) 7.753 5.801 ( -2.401 -0.861 -0.120) 2.553 5.874 ( 5.301 -2.266 4.117) 7.084 6.064 ( 0.620 3.131 -1.758) 3.644 6.141 ( -2.731 -3.060 1.713) 4.445 6.255 ( 2.884 1.932 -0.352) 3.489 6.451 ( 0.957 0.176 -2.917) 3.075 6.622 ( 1.914 -7.608 -1.619) 8.010 6.663 ( 4.175 -4.537 -2.040) 6.494 7.080 ( -3.004 3.432 0.066) 4.561 7.258 ( -0.607 -1.110 1.494) 1.958 7.673 ( -13.028 -0.560 -2.113) 13.210 7.710 ( -16.061 -2.853 -1.513) 16.382 7.849 ( -4.682 3.298 1.542) 5.931 7.955 ( -3.429 0.429 3.263) 4.753 8.150 ( -5.392 2.445 4.474) 7.421 8.207 ( -9.263 3.899 -0.462) 10.060 8.299 ( -10.001 -1.286 1.387) 10.178 8.332 ( -0.673 -4.515 5.841) 7.413 8.595 ( -3.661 6.669 -1.627) 7.780 8.785 ( -0.784 -2.415 0.290) 2.555 9.013 ( -3.949 5.269 -6.089) 8.968 9.171 ( 5.835 -0.702 -1.604) 6.092 9.485 ( 8.736 5.080 6.218) 11.866 9.704 ( -2.633 2.275 -4.497) 5.686 9.810 ( 6.523 -5.827 -0.245) 8.750 9.969 ( 2.360 -5.662 -1.614) 6.343 10.149 ( -1.531 8.969 -2.321) 9.390 10.252 ( 4.924 2.450 4.124) 6.875 10.600 ( 0.309 1.336 -1.112) 1.765 10.724 ( 4.896 -5.177 1.348) 7.252 11.197 ( -2.661 -0.528 -3.553) 4.470 11.244 ( -0.549 -1.239 2.486) 2.831 11.886 ( 0.823 0.775 -3.743) 3.910 11.955 ( 0.995 -0.937 1.631) 2.128 12.041 ( 4.567 -4.167 3.616) 7.162 12.176 ( 1.779 -11.679 -0.776) 11.839 13.539 ( -1.235 0.372 0.233) 1.310 13.679 ( -3.436 -5.418 0.317) 6.423 14.315 ( -2.580 5.511 0.878) 6.148 14.564 ( -3.802 -6.411 -1.413) 7.587 14.792 ( -3.063 4.684 0.162) 5.599 14.901 ( -3.197 -0.825 0.262) 3.312 16.691 ( 0.034 0.610 0.043) 0.612 16.694 ( -0.114 0.483 0.016) 0.496 19.263 ( 0.174 13.823 0.038) 13.824 19.586 ( -0.712 1.812 0.274) 1.966 19.946 ( -0.262 3.524 -2.278) 4.204 19.981 ( 0.904 -3.233 1.035) 3.513 20.116 ( 0.818 0.351 0.929) 1.287 20.279 ( 0.557 -4.308 0.640) 4.391 20.690 ( -0.253 1.890 -0.215) 1.919 20.762 ( 0.220 -1.551 -0.333) 1.602 21.368 ( -4.008 5.650 -0.561) 6.950 21.584 ( -11.617 -3.722 -2.165) 12.389 22.217 ( 0.293 1.457 0.118) 1.491 22.301 ( 5.797 -1.715 1.665) 6.271 22.444 ( 3.686 1.542 -0.475) 4.023 22.537 ( 0.942 -2.515 0.897) 2.831 22.690 ( 2.084 0.006 1.052) 2.334 22.712 ( 0.174 -4.362 -0.681) 4.418 23.147 ( -0.086 10.668 0.349) 10.674 23.473 ( -0.486 -6.862 -1.273) 6.996 24.279 ( 0.183 3.868 -0.380) 3.891 24.338 ( 1.273 2.156 -0.460) 2.545 25.481 ( 1.269 4.304 0.070) 4.488 25.625 ( 0.936 -1.567 -1.007) 2.085 25.901 ( -4.296 1.818 -0.757) 4.726 26.071 ( 3.211 -9.814 4.247) 11.165 26.590 ( -0.065 10.445 -0.114) 10.446 26.874 ( 3.397 -5.005 -1.039) 6.137 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -0.333 16.950 2.519) 17.139 2.805 ( 10.395 7.650 -0.231) 12.909 2.919 ( 7.449 16.535 2.808) 18.351 3.154 ( 8.046 3.204 10.246) 13.416 3.180 ( -3.210 -13.539 -3.977) 14.472 3.343 ( -2.674 -2.531 -0.058) 3.682 3.582 ( -2.309 -4.942 4.265) 6.924 3.704 ( 4.811 7.765 0.367) 9.142 3.784 ( 1.116 -1.559 1.964) 2.745 3.830 ( 0.432 3.649 1.897) 4.135 3.998 ( -10.653 -0.914 -3.166) 11.151 4.097 ( 0.806 -4.860 -3.691) 6.155 4.214 ( -0.033 0.303 3.372) 3.386 4.266 ( 6.226 -6.095 -2.307) 9.013 4.450 ( 1.408 -6.236 -2.546) 6.881 4.589 ( 7.216 8.170 -2.811) 11.257 4.604 ( 0.758 2.452 1.760) 3.112 4.743 ( 5.617 -14.602 3.219) 15.973 4.895 ( 13.831 -8.981 -3.346) 16.827 4.975 ( 10.065 -2.762 -1.961) 10.620 5.080 ( 9.624 12.962 1.681) 16.231 5.181 ( 3.436 -0.129 -8.614) 9.275 5.288 ( 1.015 -0.966 -2.105) 2.528 5.311 ( 5.639 4.129 -2.560) 7.443 5.633 ( 6.865 6.914 3.355) 10.305 5.737 ( -0.838 2.750 -1.851) 3.419 5.798 ( -2.230 -5.125 -0.372) 5.601 5.907 ( -1.635 -5.089 1.065) 5.450 6.092 ( 2.139 -4.512 1.128) 5.120 6.153 ( 4.804 3.018 -2.180) 6.077 6.308 ( 3.572 2.519 2.463) 5.017 6.503 ( 1.976 -1.524 -1.032) 2.700 6.642 ( 2.787 -7.555 -2.973) 8.584 6.723 ( -2.563 -4.204 -2.828) 5.678 7.073 ( 3.946 4.687 4.544) 7.628 7.258 ( -0.358 1.556 -1.655) 2.300 7.315 ( -16.420 -2.965 2.336) 16.848 7.406 ( -15.014 -2.848 -3.279) 15.630 7.713 ( -10.246 4.192 1.161) 11.131 7.811 ( -11.464 0.191 4.991) 12.505 7.937 ( -16.543 2.293 -1.654) 16.783 7.969 ( -12.616 1.686 1.288) 12.793 8.086 ( -7.290 0.941 6.018) 9.500 8.253 ( -6.850 -2.699 2.085) 7.652 8.596 ( 1.008 8.669 0.104) 8.728 8.793 ( 1.394 -0.642 -3.024) 3.391 8.980 ( 1.725 7.734 -3.248) 8.564 9.245 ( 1.962 -2.471 -0.019) 3.155 9.529 ( -2.325 7.341 2.238) 8.019 9.747 ( 3.205 -2.012 0.719) 3.852 9.949 ( 6.730 0.240 -3.831) 7.748 10.018 ( -0.075 2.193 -2.788) 3.548 10.180 ( 7.818 5.193 0.910) 9.429 10.359 ( 5.942 -0.786 5.843) 8.371 10.626 ( 1.430 3.114 -4.734) 5.844 10.825 ( 5.067 -5.109 2.125) 7.503 11.127 ( -4.493 -3.594 -2.968) 6.474 11.230 ( -0.591 -4.247 2.076) 4.764 11.893 ( -0.245 0.163 -3.553) 3.565 11.963 ( -0.183 0.756 1.025) 1.287 12.152 ( 5.604 -4.840 4.484) 8.657 12.218 ( 2.235 -11.449 -1.378) 11.747 13.495 ( -3.182 0.450 0.846) 3.323 13.602 ( -3.766 -3.427 -0.111) 5.093 14.258 ( -2.736 5.133 0.927) 5.890 14.485 ( -3.535 -5.815 -1.636) 6.999 14.718 ( -3.936 4.400 0.181) 5.906 14.826 ( -3.879 -1.116 0.291) 4.047 16.691 ( -0.072 0.663 -0.026) 0.667 16.693 ( 0.005 0.508 0.102) 0.518 19.266 ( 0.041 13.674 0.051) 13.674 19.569 ( -0.917 2.252 0.355) 2.457 19.941 ( -0.224 3.981 -1.973) 4.449 20.002 ( 1.040 -3.498 0.170) 3.653 20.137 ( 1.197 0.303 1.434) 1.892 20.293 ( 0.806 -4.216 0.922) 4.390 20.684 ( -0.337 1.890 -0.423) 1.965 20.768 ( 0.325 -1.847 -0.445) 1.928 21.277 ( -4.504 3.896 -0.298) 5.963 21.365 ( -9.494 0.121 -1.922) 9.687 22.217 ( -0.100 2.041 -0.582) 2.125 22.381 ( 2.496 -5.941 1.071) 6.532 22.521 ( 2.244 -0.527 -0.855) 2.458 22.574 ( 3.290 -0.148 1.581) 3.653 22.702 ( -0.104 -3.263 0.172) 3.269 22.754 ( 3.039 -0.153 0.687) 3.119 23.145 ( -0.020 10.656 0.511) 10.668 23.462 ( -0.541 -6.464 -1.519) 6.662 24.284 ( 0.255 4.113 -0.504) 4.152 24.368 ( 1.507 1.547 -0.585) 2.237 25.511 ( 1.493 5.464 0.013) 5.664 25.649 ( 1.423 -0.845 -1.635) 2.326 25.821 ( -3.789 4.763 1.499) 6.268 26.121 ( 1.822 -13.364 2.782) 13.771 26.589 ( -0.044 11.520 -0.091) 11.520 26.950 ( 3.815 -9.111 -0.914) 9.920 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -0.476 16.230 0.487) 16.244 2.974 ( 4.125 -1.191 0.479) 4.320 3.116 ( 8.984 1.167 0.557) 9.076 3.170 ( 4.023 0.961 1.388) 4.363 3.211 ( -1.444 5.297 0.182) 5.493 3.318 ( -0.390 -0.506 1.748) 1.861 3.510 ( -4.867 2.397 3.271) 6.335 3.761 ( -1.202 -2.332 0.516) 2.674 3.801 ( -5.214 7.190 0.498) 8.895 3.820 ( -1.184 10.739 -5.113) 11.953 3.852 ( 4.150 1.973 -0.298) 4.605 4.057 ( -0.919 -2.319 3.362) 4.186 4.222 ( 1.212 3.178 5.416) 6.396 4.317 ( 0.137 -6.676 -3.897) 7.731 4.399 ( -5.047 -10.247 -4.347) 12.222 4.642 ( 1.908 1.501 1.954) 3.116 4.771 ( 5.461 -2.231 -2.082) 6.256 4.841 ( 5.133 -9.376 3.527) 11.256 4.978 ( 1.021 -7.272 -3.802) 8.270 5.079 ( -0.503 3.708 -2.183) 4.332 5.262 ( 5.108 -0.079 4.123) 6.565 5.304 ( 1.293 -8.810 -4.255) 9.869 5.425 ( 15.598 -7.319 0.837) 17.250 5.570 ( 12.518 8.906 -0.821) 15.385 5.644 ( -7.598 -3.829 -1.506) 8.640 5.703 ( 1.074 -0.475 -1.091) 1.603 5.820 ( 6.270 3.951 -0.523) 7.429 5.880 ( 0.620 -1.990 -3.800) 4.335 6.126 ( -7.155 -0.394 3.895) 8.156 6.174 ( -1.511 -2.260 -2.074) 3.420 6.393 ( 1.502 3.456 0.987) 3.895 6.519 ( 6.101 1.927 0.668) 6.432 6.659 ( -2.061 -1.665 1.491) 3.040 6.714 ( 2.849 -8.077 -0.795) 8.601 7.061 ( -6.169 0.891 1.606) 6.437 7.076 ( -5.051 0.531 0.516) 5.105 7.228 ( -1.561 2.339 -1.981) 3.440 7.297 ( -3.356 1.398 -1.552) 3.953 7.512 ( -2.490 4.503 -1.338) 5.317 7.608 ( -5.691 -2.539 1.091) 6.327 7.662 ( -7.237 -0.273 2.181) 7.564 7.741 ( -10.834 -3.688 1.298) 11.518 8.011 ( -0.513 3.676 4.121) 5.547 8.108 ( -6.385 0.231 -0.846) 6.445 8.596 ( -0.437 10.337 -0.624) 10.365 8.801 ( -0.222 0.224 -0.816) 0.875 9.073 ( 4.988 7.961 -3.277) 9.950 9.258 ( -0.173 1.288 1.839) 2.252 9.494 ( -1.217 8.224 1.046) 8.379 9.770 ( 0.191 -6.206 1.741) 6.449 9.966 ( -1.031 7.736 -2.928) 8.336 10.057 ( 1.279 4.607 -1.740) 5.088 10.352 ( 6.254 2.877 1.160) 6.981 10.501 ( 7.672 -0.116 7.383) 10.648 10.617 ( -2.980 1.109 -7.268) 7.933 10.919 ( 4.595 -3.924 1.784) 6.300 11.024 ( -5.505 -6.940 -1.902) 9.060 11.227 ( 0.154 -6.303 0.933) 6.374 11.883 ( -0.441 0.122 -1.488) 1.557 11.950 ( -0.786 0.910 0.259) 1.230 12.232 ( 2.005 -7.168 2.706) 7.919 12.255 ( 1.331 -9.148 -1.363) 9.344 13.437 ( -1.898 1.463 0.578) 2.465 13.547 ( -1.537 -3.000 -0.246) 3.380 14.220 ( -0.996 4.991 0.329) 5.100 14.437 ( -1.222 -5.603 -0.644) 5.770 14.657 ( -1.791 4.152 0.076) 4.522 14.768 ( -1.693 -1.521 0.108) 2.278 16.689 ( -0.029 0.702 -0.019) 0.703 16.693 ( 0.008 0.509 0.054) 0.512 19.266 ( -0.040 13.599 0.024) 13.599 19.555 ( -0.415 2.572 0.162) 2.611 19.937 ( -0.089 4.397 -0.771) 4.465 20.018 ( 0.451 -3.592 -0.120) 3.622 20.157 ( 0.619 0.108 0.747) 0.976 20.307 ( 0.411 -4.199 0.460) 4.244 20.678 ( -0.179 1.867 -0.264) 1.894 20.773 ( 0.184 -2.222 -0.211) 2.240 21.212 ( -1.622 2.724 0.354) 3.190 21.231 ( -3.798 1.926 -1.141) 4.409 22.215 ( -0.035 2.445 -0.286) 2.462 22.413 ( 0.785 -7.261 0.269) 7.308 22.539 ( 0.291 -1.125 -0.268) 1.193 22.630 ( 1.520 -2.344 0.519) 2.841 22.703 ( 0.140 -0.596 0.015) 0.613 22.800 ( 1.342 0.122 0.491) 1.434 23.146 ( 0.020 10.651 0.258) 10.654 23.454 ( -0.233 -6.216 -0.664) 6.256 24.288 ( 0.126 4.302 -0.236) 4.310 24.391 ( 0.657 1.155 -0.262) 1.355 25.533 ( 0.625 6.764 -0.038) 6.793 25.678 ( 1.277 -0.907 -1.385) 2.091 25.759 ( -2.199 6.095 1.598) 6.674 26.144 ( 0.574 -15.323 0.868) 15.359 26.589 ( -0.009 12.498 -0.022) 12.498 27.006 ( 1.558 -11.744 -0.311) 11.851 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.000 -6.355 0.000) 6.355 2.635 ( 0.000 6.355 0.000) 6.355 2.980 ( 0.000 -13.938 0.000) 13.938 2.980 ( 0.000 13.938 0.000) 13.938 3.361 ( 0.000 -19.285 0.000) 19.285 3.361 ( 0.000 19.285 0.000) 19.285 3.536 ( 0.000 -6.365 0.000) 6.365 3.536 ( 0.000 6.365 0.000) 6.365 3.633 ( 0.000 -7.008 0.000) 7.008 3.633 ( 0.000 7.008 0.000) 7.008 3.961 ( 0.000 -1.309 0.000) 1.309 3.961 ( 0.000 1.309 0.000) 1.309 4.200 ( 0.000 -6.734 0.000) 6.734 4.200 ( 0.000 6.734 0.000) 6.734 4.313 ( 0.000 -2.246 0.000) 2.246 4.313 ( 0.000 2.246 0.000) 2.246 4.446 ( 0.000 -0.378 0.000) 0.378 4.446 ( 0.000 0.378 0.000) 0.378 4.936 ( 0.000 -2.871 0.000) 2.871 4.936 ( 0.000 2.871 0.000) 2.871 5.023 ( 0.000 -1.062 0.000) 1.062 5.023 ( 0.000 1.062 0.000) 1.062 5.470 ( 0.000 -7.774 0.000) 7.774 5.470 ( 0.000 7.774 0.000) 7.774 5.544 ( 0.000 -9.443 0.000) 9.443 5.544 ( 0.000 9.443 0.000) 9.443 5.780 ( 0.000 -5.353 0.000) 5.353 5.780 ( 0.000 5.353 0.000) 5.353 6.103 ( 0.000 -2.537 0.000) 2.537 6.103 ( 0.000 2.537 0.000) 2.537 6.366 ( 0.000 -10.822 0.000) 10.822 6.366 ( 0.000 10.822 0.000) 10.822 6.547 ( 0.000 -6.015 0.000) 6.015 6.547 ( 0.000 6.015 0.000) 6.015 7.196 ( 0.000 -4.942 0.000) 4.942 7.196 ( 0.000 4.942 0.000) 4.942 7.845 ( 0.000 -2.610 0.000) 2.610 7.845 ( 0.000 2.610 0.000) 2.610 7.964 ( 0.000 -3.418 0.000) 3.418 7.964 ( 0.000 3.418 0.000) 3.418 8.190 ( 0.000 -0.105 0.000) 0.105 8.190 ( 0.000 0.105 0.000) 0.105 8.392 ( 0.000 -1.827 0.000) 1.827 8.392 ( 0.000 1.827 0.000) 1.827 8.749 ( 0.000 -0.160 0.000) 0.160 8.749 ( 0.000 0.160 0.000) 0.160 9.100 ( 0.000 -0.527 0.000) 0.527 9.100 ( 0.000 0.527 0.000) 0.527 9.526 ( 0.000 -10.151 0.000) 10.151 9.526 ( 0.000 10.151 0.000) 10.151 9.846 ( 0.000 -4.816 0.000) 4.816 9.846 ( 0.000 4.816 0.000) 4.816 10.241 ( 0.000 -0.280 0.000) 0.280 10.241 ( 0.000 0.280 0.000) 0.280 10.609 ( 0.000 -0.503 0.000) 0.503 10.609 ( 0.000 0.503 0.000) 0.503 11.245 ( 0.000 -0.303 0.000) 0.303 11.245 ( 0.000 0.303 0.000) 0.303 11.907 ( 0.000 -2.180 0.000) 2.180 11.907 ( 0.000 2.180 0.000) 2.180 11.985 ( 0.000 -5.016 0.000) 5.016 11.985 ( 0.000 5.016 0.000) 5.016 13.604 ( 0.000 -4.418 0.000) 4.418 13.604 ( 0.000 4.418 0.000) 4.418 14.468 ( 0.000 -6.755 0.000) 6.755 14.468 ( 0.000 6.755 0.000) 6.755 14.901 ( 0.000 -2.801 0.000) 2.801 14.901 ( 0.000 2.801 0.000) 2.801 16.699 ( 0.000 -0.142 0.000) 0.142 16.699 ( 0.000 0.142 0.000) 0.142 19.510 ( 0.000 -9.704 0.000) 9.704 19.510 ( 0.000 9.704 0.000) 9.704 19.954 ( 0.000 -1.177 0.000) 1.177 19.954 ( 0.000 1.177 0.000) 1.177 20.176 ( 0.000 -5.075 0.000) 5.075 20.176 ( 0.000 5.075 0.000) 5.075 20.729 ( 0.000 -1.666 0.000) 1.666 20.729 ( 0.000 1.666 0.000) 1.666 21.557 ( 0.000 -8.338 0.000) 8.338 21.557 ( 0.000 8.338 0.000) 8.338 22.244 ( 0.000 -1.294 0.000) 1.294 22.244 ( 0.000 1.294 0.000) 1.294 22.446 ( 0.000 -3.394 0.000) 3.394 22.446 ( 0.000 3.394 0.000) 3.394 22.673 ( 0.000 -0.330 0.000) 0.330 22.673 ( 0.000 0.330 0.000) 0.330 23.332 ( 0.000 -7.982 0.000) 7.982 23.332 ( 0.000 7.982 0.000) 7.982 24.333 ( 0.000 -1.493 0.000) 1.493 24.333 ( 0.000 1.493 0.000) 1.493 25.552 ( 0.000 -4.208 0.000) 4.208 25.552 ( 0.000 4.208 0.000) 4.208 25.950 ( 0.000 -0.072 0.000) 0.072 25.950 ( 0.000 0.072 0.000) 0.072 26.750 ( 0.000 -6.027 0.000) 6.027 26.750 ( 0.000 6.027 0.000) 6.027 ======================= Grid point 37 (22/108) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 6.706 -8.477 3.140) 11.256 2.712 ( 6.706 8.477 3.140) 11.256 2.959 ( -1.468 -11.191 -1.406) 11.374 2.959 ( -1.468 11.191 -1.406) 11.374 3.300 ( -2.662 -15.637 3.702) 16.288 3.300 ( -2.662 15.637 3.702) 16.288 3.560 ( 1.945 -7.506 1.225) 7.850 3.560 ( 1.945 7.506 1.225) 7.850 3.796 ( 10.077 -4.301 1.643) 11.079 3.796 ( 10.077 4.301 1.643) 11.079 3.924 ( -0.001 -2.939 -5.203) 5.975 3.924 ( -0.001 2.939 -5.203) 5.975 4.227 ( 0.440 -9.903 -3.114) 10.390 4.227 ( 0.440 9.903 -3.114) 10.390 4.419 ( 5.642 -5.415 10.093) 12.768 4.419 ( 5.642 5.415 10.093) 12.768 4.453 ( 5.856 -2.646 -1.477) 6.593 4.453 ( 5.856 2.646 -1.477) 6.593 4.889 ( -4.117 -6.318 -5.305) 9.220 4.889 ( -4.117 6.318 -5.305) 9.220 5.079 ( 5.221 -0.928 -3.772) 6.508 5.079 ( 5.221 0.928 -3.772) 6.508 5.377 ( -4.546 -0.997 -1.711) 4.958 5.377 ( -4.546 0.997 -1.711) 4.958 5.635 ( 5.255 -4.173 1.293) 6.834 5.635 ( 5.255 4.173 1.293) 6.834 5.804 ( 1.326 -3.137 2.189) 4.049 5.804 ( 1.326 3.137 2.189) 4.049 6.091 ( -0.323 -2.552 1.978) 3.245 6.091 ( -0.323 2.552 1.978) 3.245 6.395 ( 1.098 -10.472 -1.327) 10.612 6.395 ( 1.098 10.472 -1.327) 10.612 6.552 ( 2.140 -5.481 -4.927) 7.675 6.552 ( 2.140 5.481 -4.927) 7.675 7.184 ( -0.919 -5.680 1.354) 5.911 7.184 ( -0.919 5.680 1.354) 5.911 7.671 ( -14.993 -0.989 -2.496) 15.231 7.671 ( -14.993 0.989 -2.496) 15.231 7.924 ( -4.446 -3.435 2.360) 6.094 7.924 ( -4.446 3.435 2.360) 6.094 8.214 ( -0.205 -4.227 7.472) 8.587 8.214 ( -0.205 4.227 7.472) 8.587 8.280 ( -11.193 -1.519 -0.524) 11.308 8.280 ( -11.193 1.519 -0.524) 11.308 8.711 ( -0.773 -4.859 -0.508) 4.946 8.711 ( -0.773 4.859 -0.508) 4.946 9.118 ( 0.148 -4.476 -4.826) 6.584 9.118 ( 0.148 4.476 -4.826) 6.584 9.611 ( 7.275 -7.453 4.074) 11.183 9.611 ( 7.275 7.453 4.074) 11.183 9.851 ( 1.562 -5.906 -3.363) 6.974 9.851 ( 1.562 5.906 -3.363) 6.974 10.262 ( 1.704 -2.290 0.537) 2.905 10.262 ( 1.704 2.290 0.537) 2.905 10.642 ( 3.193 -3.032 0.018) 4.403 10.642 ( 3.193 3.032 0.018) 4.403 11.212 ( -3.106 -1.619 -0.307) 3.516 11.212 ( -3.106 1.619 -0.307) 3.516 11.939 ( 2.137 -3.539 -1.121) 4.283 11.939 ( 2.137 3.539 -1.121) 4.283 12.002 ( 2.201 -3.990 1.712) 4.867 12.002 ( 2.201 3.990 1.712) 4.867 13.586 ( -1.842 -3.834 0.337) 4.267 13.586 ( -1.842 3.834 0.337) 4.267 14.434 ( -3.132 -6.394 -0.568) 7.143 14.434 ( -3.132 6.394 -0.568) 7.143 14.867 ( -3.208 -2.746 0.292) 4.233 14.867 ( -3.208 2.746 0.292) 4.233 16.699 ( -0.018 -0.092 0.008) 0.094 16.699 ( -0.018 0.092 0.008) 0.094 19.508 ( -0.132 -9.421 -0.023) 9.422 19.508 ( -0.132 9.421 -0.023) 9.422 19.957 ( 0.361 -0.892 -0.317) 1.013 19.957 ( 0.361 0.892 -0.317) 1.013 20.182 ( 0.620 -5.018 0.691) 5.104 20.182 ( 0.620 5.018 0.691) 5.104 20.728 ( -0.058 -1.828 -0.394) 1.871 20.728 ( -0.058 1.828 -0.394) 1.871 21.481 ( -6.691 -5.841 -1.126) 8.953 21.481 ( -6.691 5.841 -1.126) 8.953 22.258 ( 1.023 -2.443 0.807) 2.768 22.258 ( 1.023 2.443 0.807) 2.768 22.481 ( 2.917 -2.521 0.275) 3.865 22.481 ( 2.917 2.521 0.275) 3.865 22.686 ( 1.353 -0.668 0.140) 1.515 22.686 ( 1.353 0.668 0.140) 1.515 23.330 ( -0.201 -7.873 -0.289) 7.881 23.330 ( -0.201 7.873 -0.289) 7.881 24.339 ( 0.616 -1.832 -0.448) 1.984 24.339 ( 0.616 1.832 -0.448) 1.984 25.568 ( 1.548 -4.058 -0.689) 4.397 25.568 ( 1.548 4.058 -0.689) 4.397 25.943 ( -0.743 -3.375 1.767) 3.881 25.943 ( -0.743 3.375 1.767) 3.881 26.761 ( 1.009 -6.805 -0.563) 6.902 26.761 ( 1.009 6.805 -0.563) 6.902 ======================= Grid point 39 (23/108) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.602 -16.733 -0.356) 16.748 2.806 ( 0.602 16.733 -0.356) 16.748 2.994 ( 6.458 -8.766 -0.154) 10.889 2.994 ( 6.458 8.766 -0.154) 10.889 3.295 ( 1.362 -7.421 6.945) 10.255 3.295 ( 1.362 7.421 6.945) 10.255 3.584 ( 0.356 -9.482 1.990) 9.695 3.584 ( 0.356 9.482 1.990) 9.695 3.875 ( 1.999 -3.733 2.662) 5.001 3.875 ( 1.999 3.733 2.662) 5.001 4.012 ( 3.036 -6.300 -3.594) 7.863 4.012 ( 3.036 6.300 -3.594) 7.863 4.236 ( -0.398 -9.416 -3.283) 9.980 4.236 ( -0.398 9.416 -3.283) 9.980 4.437 ( 1.462 -12.706 2.788) 13.091 4.437 ( 1.462 12.706 2.788) 13.091 4.702 ( 10.980 -6.982 2.171) 13.192 4.702 ( 10.980 6.982 2.171) 13.192 4.833 ( 1.985 -10.441 -4.662) 11.605 4.833 ( 1.985 10.441 -4.662) 11.605 5.180 ( 3.304 -0.744 -4.938) 5.988 5.180 ( 3.304 0.744 -4.938) 5.988 5.372 ( 5.235 -5.043 -0.331) 7.276 5.372 ( 5.235 5.043 -0.331) 7.276 5.715 ( 1.651 -2.968 -0.383) 3.418 5.715 ( 1.651 2.968 -0.383) 3.418 5.803 ( -0.496 -3.240 0.164) 3.282 5.803 ( -0.496 3.240 0.164) 3.282 6.118 ( 2.903 -5.685 1.498) 6.557 6.118 ( 2.903 5.685 1.498) 6.557 6.406 ( 1.950 -7.283 1.764) 7.743 6.406 ( 1.950 7.283 1.764) 7.743 6.622 ( 2.654 -4.809 -6.710) 8.671 6.622 ( 2.654 4.809 -6.710) 8.671 7.180 ( -0.025 -5.647 3.348) 6.565 7.180 ( -0.025 5.647 3.348) 6.565 7.349 ( -14.221 -2.992 -2.671) 14.776 7.349 ( -14.221 2.992 -2.671) 14.776 7.784 ( -9.842 -2.836 4.345) 11.126 7.784 ( -9.842 2.836 4.345) 11.126 7.968 ( -17.968 -0.892 -0.962) 18.016 7.968 ( -17.968 0.892 -0.962) 18.016 8.164 ( -4.707 -5.320 4.921) 8.641 8.164 ( -4.707 5.320 4.921) 8.641 8.735 ( 1.827 -5.049 -0.642) 5.408 8.735 ( 1.827 5.049 -0.642) 5.408 9.141 ( 3.140 -7.431 -2.924) 8.581 9.141 ( 3.140 7.431 -2.924) 8.581 9.665 ( -1.360 -5.934 1.802) 6.349 9.665 ( -1.360 5.934 1.802) 6.349 9.984 ( 9.313 -2.888 -3.568) 10.383 9.984 ( 9.313 2.888 -3.568) 10.383 10.306 ( 3.679 -5.055 3.030) 6.947 10.306 ( 3.679 5.055 3.030) 6.947 10.715 ( 3.332 -5.445 -1.574) 6.575 10.715 ( 3.332 5.445 -1.574) 6.575 11.137 ( -3.968 -3.844 0.358) 5.536 11.137 ( -3.968 3.844 0.358) 5.536 11.952 ( -0.513 -4.112 -1.463) 4.395 11.952 ( -0.513 4.112 -1.463) 4.395 12.076 ( 4.270 -0.609 1.930) 4.725 12.076 ( 4.270 0.609 1.930) 4.725 13.537 ( -2.897 -3.064 0.456) 4.241 13.537 ( -2.897 3.064 0.456) 4.241 14.367 ( -3.132 -5.812 -0.774) 6.647 14.367 ( -3.132 5.812 -0.774) 6.647 14.790 ( -4.066 -2.707 0.381) 4.899 14.790 ( -4.066 2.707 0.381) 4.899 16.698 ( -0.015 -0.047 0.016) 0.052 16.698 ( -0.015 0.047 0.016) 0.052 19.504 ( -0.278 -8.823 0.000) 8.827 19.504 ( -0.278 8.823 0.000) 8.827 19.967 ( 0.537 -0.392 -0.535) 0.853 19.967 ( 0.537 0.392 -0.535) 0.853 20.198 ( 0.847 -4.879 1.039) 5.060 20.198 ( 0.847 4.879 1.039) 5.060 20.727 ( -0.115 -2.203 -0.580) 2.281 20.727 ( -0.115 2.203 -0.580) 2.281 21.340 ( -6.658 -2.412 -0.921) 7.141 21.340 ( -6.658 2.412 -0.921) 7.141 22.276 ( 0.724 -4.157 0.168) 4.223 22.276 ( 0.724 4.157 0.168) 4.223 22.531 ( 1.773 -1.953 0.328) 2.658 22.531 ( 1.773 1.953 0.328) 2.658 22.727 ( 2.528 -2.450 0.587) 3.569 22.727 ( 2.528 2.450 0.587) 3.569 23.326 ( -0.199 -7.596 -0.345) 7.606 23.326 ( -0.199 7.596 -0.345) 7.606 24.354 ( 0.780 -2.562 -0.574) 2.738 24.354 ( 0.780 2.562 -0.574) 2.738 25.605 ( 1.965 -3.721 -1.069) 4.342 25.605 ( 1.965 3.721 -1.069) 4.342 25.922 ( -1.276 -6.580 2.319) 7.093 25.922 ( -1.276 6.580 2.319) 7.093 26.785 ( 1.288 -8.451 -0.621) 8.572 26.785 ( 1.288 8.451 -0.621) 8.572 ======================= Grid point 41 (24/108) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.765 -16.191 -0.714) 16.224 2.791 ( -0.765 16.191 -0.714) 16.224 3.127 ( 4.738 -5.385 -2.336) 7.543 3.127 ( 4.738 5.385 -2.336) 7.543 3.317 ( 0.241 -4.104 6.228) 7.462 3.317 ( 0.241 4.104 6.228) 7.462 3.593 ( 0.673 -8.043 0.733) 8.104 3.593 ( 0.673 8.043 0.733) 8.104 3.915 ( 1.280 -4.062 3.639) 5.602 3.915 ( 1.280 4.062 3.639) 5.602 4.042 ( 1.941 -10.832 -1.509) 11.107 4.042 ( 1.941 10.832 -1.509) 11.107 4.166 ( -5.161 -7.662 -4.406) 10.235 4.166 ( -5.161 7.662 -4.406) 10.235 4.460 ( 0.231 -14.249 0.952) 14.283 4.460 ( 0.231 14.249 0.952) 14.283 4.795 ( 2.267 -8.975 -0.564) 9.274 4.795 ( 2.267 8.975 -0.564) 9.274 4.995 ( 7.046 -10.721 0.339) 12.834 4.995 ( 7.046 10.721 0.339) 12.834 5.217 ( 1.169 -0.599 -2.344) 2.687 5.217 ( 1.169 0.599 -2.344) 2.687 5.489 ( 3.001 -9.414 1.822) 10.047 5.489 ( 3.001 9.414 1.822) 10.047 5.700 ( -1.333 -2.424 -0.789) 2.877 5.700 ( -1.333 2.424 -0.789) 2.877 5.860 ( 7.247 -0.074 -4.157) 8.355 5.860 ( 7.247 0.074 -4.157) 8.355 6.128 ( -4.437 -1.322 1.830) 4.979 6.128 ( -4.437 1.322 1.830) 4.979 6.500 ( 5.341 -6.250 1.469) 8.352 6.500 ( 5.341 6.250 1.469) 8.352 6.624 ( -0.247 -2.353 -1.401) 2.749 6.624 ( -0.247 2.353 -1.401) 2.749 7.075 ( -4.868 -0.483 1.142) 5.024 7.075 ( -4.868 0.483 1.142) 5.024 7.282 ( -0.105 -2.455 -1.786) 3.038 7.282 ( -0.105 2.455 -1.786) 3.038 7.569 ( -6.419 -2.007 -1.026) 6.803 7.569 ( -6.419 2.007 -1.026) 6.803 7.682 ( -9.789 -2.118 2.995) 10.454 7.682 ( -9.789 2.118 2.995) 10.454 8.079 ( -2.901 -2.786 1.595) 4.327 8.079 ( -2.901 2.786 1.595) 4.327 8.755 ( 0.302 -5.182 -0.380) 5.205 8.755 ( 0.302 5.182 -0.380) 5.205 9.211 ( 2.541 -5.283 -1.177) 5.980 9.211 ( 2.541 5.283 -1.177) 5.980 9.642 ( -0.451 -6.753 1.255) 6.884 9.642 ( -0.451 6.753 1.255) 6.884 10.080 ( 0.961 -2.633 -2.852) 3.999 10.080 ( 0.961 2.633 -2.852) 3.999 10.431 ( 6.468 -4.719 3.765) 8.848 10.431 ( 6.468 4.719 3.765) 8.848 10.740 ( -0.712 -9.309 -2.647) 9.704 10.740 ( -0.712 9.309 -2.647) 9.704 11.078 ( -1.578 -7.347 0.818) 7.559 11.078 ( -1.578 7.347 0.818) 7.559 11.935 ( -0.745 -3.396 -0.632) 3.534 11.935 ( -0.745 3.396 -0.632) 3.534 12.140 ( 1.769 -1.141 0.728) 2.228 12.140 ( 1.769 1.141 0.728) 2.228 13.489 ( -1.475 -3.013 0.214) 3.362 13.489 ( -1.475 3.013 0.214) 3.362 14.323 ( -1.117 -5.525 -0.364) 5.649 14.323 ( -1.117 5.525 -0.364) 5.649 14.728 ( -1.837 -2.748 0.176) 3.311 14.728 ( -1.837 2.748 0.176) 3.311 16.698 ( -0.004 -0.094 0.009) 0.095 16.698 ( -0.004 0.094 0.009) 0.095 19.499 ( -0.161 -8.389 0.010) 8.391 19.499 ( -0.161 8.389 0.010) 8.391 19.975 ( 0.260 -0.590 -0.291) 0.708 19.975 ( 0.260 0.590 -0.291) 0.708 20.212 ( 0.421 -4.740 0.537) 4.789 20.212 ( 0.421 4.740 0.537) 4.789 20.724 ( -0.075 -2.539 -0.304) 2.558 20.724 ( -0.075 2.539 -0.304) 2.558 21.244 ( -2.609 -0.538 -0.303) 2.681 21.244 ( -2.609 0.538 -0.303) 2.681 22.286 ( 0.263 -4.938 -0.059) 4.945 22.286 ( 0.263 4.938 -0.059) 4.945 22.551 ( 0.403 -2.505 0.073) 2.539 22.551 ( 0.403 2.505 0.073) 2.539 22.768 ( 1.250 -3.179 0.385) 3.438 22.768 ( 1.250 3.179 0.385) 3.438 23.323 ( -0.073 -7.331 -0.151) 7.332 23.323 ( -0.073 7.331 -0.151) 7.332 24.366 ( 0.355 -3.125 -0.261) 3.156 24.366 ( 0.355 3.125 -0.261) 3.156 25.636 ( 0.927 -3.563 -0.591) 3.728 25.636 ( 0.927 3.563 -0.591) 3.728 25.900 ( -0.725 -8.978 1.116) 9.076 25.900 ( -0.725 8.978 1.116) 9.076 26.805 ( 0.580 -9.674 -0.248) 9.695 26.805 ( 0.580 9.674 -0.248) 9.695 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.177 0.000 35.555) 36.087 0.770 ( 0.346 0.000 38.398) 38.399 1.176 ( 10.552 0.000 56.808) 57.780 2.516 ( 21.113 0.000 -8.181) 22.643 2.641 ( 4.757 0.000 -27.075) 27.490 2.877 ( -19.119 0.000 -8.584) 20.957 3.408 ( -1.513 0.000 5.597) 5.798 3.530 ( -0.401 0.000 15.347) 15.352 3.591 ( -2.517 0.000 -0.502) 2.566 3.816 ( 10.747 0.000 3.222) 11.220 3.897 ( -7.674 0.000 0.920) 7.729 4.087 ( 0.853 0.000 2.560) 2.698 4.435 ( -0.466 0.000 2.143) 2.193 4.483 ( 0.832 0.000 -5.404) 5.468 4.630 ( -6.554 0.000 -5.568) 8.600 4.698 ( 1.720 0.000 -5.203) 5.479 4.756 ( -1.268 0.000 -9.136) 9.224 4.836 ( 9.968 0.000 -14.235) 17.378 4.950 ( -12.762 0.000 1.369) 12.835 5.264 ( -9.084 0.000 -3.867) 9.873 5.312 ( 5.802 0.000 4.404) 7.284 5.422 ( 2.744 0.000 -7.227) 7.730 5.538 ( -3.364 0.000 12.079) 12.539 5.576 ( 2.223 0.000 3.189) 3.888 5.654 ( 0.742 0.000 4.610) 4.669 5.784 ( -3.347 0.000 1.090) 3.520 5.913 ( -3.916 0.000 -13.646) 14.197 5.914 ( -2.963 0.000 -2.153) 3.663 6.062 ( 5.795 0.000 -3.388) 6.712 6.149 ( 3.100 0.000 2.417) 3.931 6.273 ( 5.196 0.000 4.041) 6.583 6.413 ( -3.173 0.000 -1.065) 3.347 6.754 ( 2.696 0.000 -7.648) 8.109 6.773 ( -2.647 0.000 -2.031) 3.336 7.096 ( -2.696 0.000 6.224) 6.783 7.184 ( -1.194 0.000 0.993) 1.552 7.595 ( 6.006 0.000 11.508) 12.981 7.764 ( -1.327 0.000 -2.073) 2.461 7.796 ( 3.329 0.000 1.737) 3.755 8.016 ( 1.169 0.000 1.645) 2.018 8.048 ( -9.302 0.000 3.926) 10.097 8.143 ( 3.160 0.000 4.375) 5.396 8.204 ( 3.825 0.000 -2.236) 4.431 8.333 ( 1.254 0.000 -3.688) 3.895 8.419 ( -5.118 0.000 -1.443) 5.318 8.573 ( 7.033 0.000 7.550) 10.318 8.641 ( -0.096 0.000 -7.768) 7.768 8.904 ( -6.209 0.000 2.450) 6.675 9.588 ( 2.967 0.000 2.650) 3.979 9.644 ( -1.599 0.000 -0.927) 1.848 10.000 ( -2.604 0.000 -0.835) 2.734 10.168 ( -3.301 0.000 -7.156) 7.881 10.321 ( 0.870 0.000 -0.446) 0.977 10.326 ( 5.631 0.000 -2.260) 6.067 10.533 ( -1.334 0.000 1.340) 1.891 10.772 ( 14.080 0.000 -4.548) 14.796 11.329 ( -0.141 0.000 4.692) 4.694 11.486 ( 0.829 0.000 0.486) 0.961 11.799 ( -2.381 0.000 1.792) 2.979 11.872 ( -13.265 0.000 2.448) 13.489 11.949 ( 4.342 0.000 3.916) 5.847 12.264 ( -10.258 0.000 -5.572) 11.674 13.986 ( 2.898 0.000 6.833) 7.422 14.310 ( 2.002 0.000 1.486) 2.494 14.470 ( 0.297 0.000 -2.493) 2.511 14.507 ( -5.621 0.000 -4.498) 7.199 14.618 ( -0.923 0.000 3.137) 3.270 14.980 ( -0.726 0.000 -6.165) 6.208 16.683 ( -0.792 0.000 0.119) 0.800 16.725 ( 0.610 0.000 -0.752) 0.968 18.837 ( -3.817 0.000 2.211) 4.411 19.133 ( -0.344 0.000 -5.144) 5.155 19.880 ( 1.656 0.000 3.839) 4.181 20.012 ( -0.694 0.000 1.252) 1.432 20.138 ( 0.460 0.000 1.343) 1.420 20.256 ( -4.897 0.000 -2.775) 5.628 20.659 ( -1.128 0.000 1.101) 1.576 20.692 ( -0.910 0.000 -0.807) 1.216 20.880 ( 7.771 0.000 3.785) 8.644 21.198 ( -2.046 0.000 -2.932) 3.575 22.003 ( -4.807 0.000 0.952) 4.900 22.118 ( -0.809 0.000 -2.194) 2.339 22.463 ( -0.656 0.000 -0.396) 0.767 22.503 ( 0.786 0.000 -0.943) 1.227 22.564 ( 1.210 0.000 3.639) 3.834 22.718 ( 0.587 0.000 -0.734) 0.940 23.840 ( -0.068 0.000 0.442) 0.447 23.907 ( 0.297 0.000 -1.284) 1.318 24.058 ( 0.729 0.000 5.032) 5.084 24.394 ( -0.796 0.000 -2.476) 2.601 25.388 ( 2.039 0.000 -2.036) 2.882 25.462 ( -4.095 0.000 -4.718) 6.248 25.747 ( 7.458 0.000 5.940) 9.534 25.912 ( -36.205 0.000 1.518) 36.237 26.678 ( -3.581 0.000 1.066) 3.736 26.868 ( 51.876 0.000 -3.535) 51.996 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 26.529 0.000 21.977) 34.450 1.001 ( 27.172 0.000 19.473) 33.429 1.959 ( 50.919 0.000 41.920) 65.955 2.573 ( -10.750 0.000 -18.285) 21.211 2.823 ( 13.298 0.000 -23.452) 26.960 2.953 ( 19.627 0.000 10.468) 22.244 3.420 ( -1.649 0.000 0.134) 1.654 3.500 ( -2.618 0.000 3.823) 4.634 3.616 ( 3.174 0.000 7.701) 8.330 3.805 ( 7.768 0.000 2.029) 8.029 4.144 ( 16.255 0.000 0.923) 16.282 4.201 ( 8.772 0.000 1.772) 8.949 4.362 ( -7.702 0.000 3.657) 8.526 4.432 ( -12.983 0.000 -4.391) 13.705 4.501 ( -4.454 0.000 -1.780) 4.797 4.624 ( -5.543 0.000 1.411) 5.720 4.724 ( -6.362 0.000 -9.619) 11.532 4.751 ( -4.830 0.000 1.525) 5.065 4.847 ( -1.419 0.000 1.763) 2.263 5.099 ( 11.978 0.000 -9.657) 15.386 5.342 ( -2.676 0.000 4.391) 5.142 5.481 ( -0.173 0.000 -4.284) 4.287 5.489 ( -1.438 0.000 11.177) 11.270 5.568 ( -0.351 0.000 -2.119) 2.148 5.657 ( 0.202 0.000 5.768) 5.771 5.692 ( -3.306 0.000 -1.649) 3.694 5.893 ( 1.002 0.000 -11.159) 11.204 5.917 ( 2.782 0.000 -1.827) 3.328 6.172 ( 0.366 0.000 2.772) 2.796 6.256 ( 12.300 0.000 -2.477) 12.547 6.379 ( 4.120 0.000 6.189) 7.435 6.422 ( 3.099 0.000 -3.519) 4.688 6.725 ( -1.409 0.000 -3.849) 4.099 6.808 ( 2.532 0.000 -5.194) 5.778 7.054 ( -2.861 0.000 7.244) 7.789 7.060 ( -1.187 0.000 7.678) 7.769 7.568 ( -8.327 0.000 7.969) 11.526 7.701 ( -5.340 0.000 2.369) 5.842 7.810 ( -8.970 0.000 -4.238) 9.921 7.889 ( -12.140 0.000 3.417) 12.612 7.928 ( -3.436 0.000 -1.032) 3.587 8.145 ( -3.191 0.000 1.718) 3.625 8.204 ( -2.852 0.000 -3.738) 4.702 8.232 ( -11.558 0.000 -2.537) 11.833 8.338 ( -3.059 0.000 3.182) 4.414 8.630 ( -2.527 0.000 7.919) 8.313 8.656 ( 1.706 0.000 -10.907) 11.040 8.807 ( -4.003 0.000 -2.081) 4.512 9.481 ( -15.553 0.000 9.807) 18.387 9.583 ( -4.734 0.000 -2.408) 5.311 9.848 ( -0.212 0.000 7.480) 7.483 9.983 ( -8.279 0.000 -1.765) 8.465 10.311 ( -1.011 0.000 -2.125) 2.353 10.313 ( 1.009 0.000 -5.592) 5.683 10.680 ( 8.384 0.000 0.870) 8.429 11.226 ( 13.379 0.000 -15.396) 20.396 11.344 ( 1.412 0.000 4.230) 4.460 11.551 ( -9.501 0.000 12.345) 15.577 11.628 ( 12.512 0.000 0.266) 12.515 11.751 ( -1.766 0.000 2.503) 3.063 12.073 ( 6.934 0.000 5.036) 8.570 12.217 ( 2.309 0.000 -8.782) 9.080 13.966 ( -4.652 0.000 7.613) 8.922 14.205 ( -13.732 0.000 3.622) 14.201 14.330 ( 0.382 0.000 2.970) 2.994 14.479 ( 0.668 0.000 -2.277) 2.373 14.572 ( -3.638 0.000 3.174) 4.828 14.965 ( 0.329 0.000 -7.684) 7.691 16.671 ( -0.278 0.000 -0.520) 0.590 16.734 ( 0.294 0.000 -0.311) 0.428 18.805 ( 0.337 0.000 2.975) 2.994 19.125 ( -0.385 0.000 -5.000) 5.015 19.913 ( 1.453 0.000 4.484) 4.714 19.981 ( -1.449 0.000 -0.367) 1.495 20.157 ( 1.210 0.000 1.504) 1.930 20.199 ( -0.858 0.000 -0.503) 0.995 20.652 ( 0.170 0.000 1.284) 1.295 20.679 ( -0.454 0.000 -1.380) 1.452 20.822 ( -5.966 0.000 10.661) 12.217 21.091 ( -7.757 0.000 -4.571) 9.004 22.100 ( 6.636 0.000 -5.625) 8.699 22.106 ( -0.140 0.000 -0.907) 0.918 22.459 ( 0.033 0.000 0.070) 0.077 22.525 ( 1.175 0.000 -2.028) 2.344 22.617 ( 3.648 0.000 2.360) 4.345 22.757 ( 2.941 0.000 -0.646) 3.011 23.842 ( 0.302 0.000 0.288) 0.417 23.910 ( 0.004 0.000 -1.083) 1.083 24.060 ( -0.659 0.000 6.789) 6.820 24.410 ( 2.367 0.000 -2.899) 3.742 24.634 ( -36.220 0.000 40.584) 54.396 25.346 ( -6.550 0.000 -5.391) 8.483 25.472 ( 1.672 0.000 3.796) 4.148 25.875 ( 3.910 0.000 8.206) 9.090 26.683 ( 4.212 0.000 -0.708) 4.271 28.279 ( 36.111 0.000 -51.066) 62.544 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 32.483 0.000 11.410) 34.429 1.640 ( 34.251 0.000 7.392) 35.040 2.425 ( -4.730 0.000 -19.362) 19.931 2.861 ( 24.656 0.000 17.566) 30.274 3.116 ( 18.104 0.000 -14.359) 23.107 3.121 ( -4.744 0.000 15.136) 15.862 3.436 ( 6.745 0.000 2.539) 7.207 3.477 ( 6.276 0.000 4.228) 7.568 3.667 ( 2.251 0.000 4.086) 4.665 3.984 ( -20.055 0.000 8.394) 21.741 4.148 ( -8.320 0.000 7.048) 10.904 4.151 ( 21.101 0.000 -3.400) 21.373 4.229 ( -3.724 0.000 -3.650) 5.214 4.522 ( 9.524 0.000 8.721) 12.913 4.556 ( 5.554 0.000 1.952) 5.887 4.645 ( 1.802 0.000 -4.142) 4.518 4.684 ( 11.029 0.000 -9.270) 14.407 4.825 ( 9.493 0.000 -2.563) 9.833 5.009 ( 9.588 0.000 -5.547) 11.077 5.201 ( -4.486 0.000 0.207) 4.491 5.319 ( 4.427 0.000 -4.541) 6.342 5.459 ( -0.728 0.000 6.270) 6.312 5.495 ( 4.871 0.000 -4.532) 6.653 5.569 ( -0.009 0.000 -2.848) 2.848 5.694 ( 4.261 0.000 3.240) 5.353 5.696 ( 3.271 0.000 1.344) 3.536 5.938 ( 3.127 0.000 -12.139) 12.535 5.982 ( 2.952 0.000 -0.236) 2.961 6.179 ( -0.107 0.000 -0.770) 0.777 6.388 ( -3.098 0.000 7.641) 8.246 6.449 ( -0.605 0.000 -5.532) 5.565 6.509 ( 10.285 0.000 -2.728) 10.641 6.728 ( 1.697 0.000 -3.893) 4.247 6.865 ( 4.295 0.000 1.360) 4.505 7.013 ( -4.377 0.000 7.116) 8.355 7.067 ( 0.343 0.000 2.752) 2.773 7.427 ( -21.962 0.000 -0.083) 21.962 7.432 ( -1.249 0.000 -1.800) 2.191 7.559 ( -20.311 0.000 0.983) 20.335 7.563 ( -9.898 0.000 5.592) 11.368 7.886 ( -4.763 0.000 -3.600) 5.970 8.005 ( -5.937 0.000 -10.501) 12.063 8.066 ( -6.552 0.000 11.381) 13.132 8.125 ( -5.187 0.000 0.564) 5.218 8.142 ( -16.187 0.000 4.604) 16.829 8.499 ( -9.404 0.000 10.700) 14.245 8.677 ( -1.812 0.000 -13.147) 13.272 8.745 ( -0.191 0.000 -5.278) 5.282 9.188 ( -11.634 0.000 7.278) 13.723 9.487 ( -3.435 0.000 -2.804) 4.434 9.882 ( 0.905 0.000 4.239) 4.335 9.983 ( 6.832 0.000 1.762) 7.055 10.303 ( -2.280 0.000 -5.890) 6.316 10.342 ( 3.800 0.000 -2.092) 4.338 10.796 ( 3.268 0.000 2.150) 3.912 11.360 ( 3.717 0.000 -7.161) 8.068 11.379 ( 1.868 0.000 4.143) 4.544 11.471 ( -0.819 0.000 4.159) 4.239 11.736 ( 0.078 0.000 2.139) 2.141 11.848 ( 7.671 0.000 3.551) 8.453 12.197 ( 4.980 0.000 4.282) 6.568 12.276 ( 3.181 0.000 -10.672) 11.136 13.837 ( -7.478 0.000 6.322) 9.792 14.035 ( -4.876 0.000 -1.800) 5.198 14.331 ( -0.228 0.000 3.652) 3.659 14.481 ( -2.807 0.000 0.131) 2.810 14.503 ( -0.421 0.000 1.687) 1.739 14.982 ( 1.208 0.000 -9.133) 9.213 16.670 ( 0.149 0.000 -0.621) 0.639 16.735 ( -0.164 0.000 -0.301) 0.343 18.815 ( 0.402 0.000 2.382) 2.415 19.117 ( -0.277 0.000 -4.793) 4.801 19.933 ( 0.388 0.000 3.731) 3.751 19.969 ( 0.222 0.000 -2.480) 2.490 20.178 ( 0.731 0.000 1.168) 1.378 20.188 ( -0.593 0.000 0.055) 0.595 20.635 ( -2.452 0.000 3.671) 4.415 20.674 ( 0.090 0.000 -1.960) 1.962 20.752 ( -1.155 0.000 6.863) 6.960 20.940 ( -6.402 0.000 -3.678) 7.383 22.109 ( 0.237 0.000 1.023) 1.051 22.189 ( 3.135 0.000 -5.149) 6.029 22.462 ( 0.309 0.000 0.606) 0.681 22.544 ( 0.787 0.000 -1.984) 2.134 22.689 ( 3.252 0.000 0.873) 3.367 22.815 ( 2.542 0.000 -1.173) 2.800 23.850 ( 0.441 0.000 0.222) 0.494 23.908 ( -0.204 0.000 -0.861) 0.885 24.032 ( -2.354 0.000 14.338) 14.530 24.240 ( -9.930 0.000 24.363) 26.309 24.476 ( 3.925 0.000 -2.805) 4.824 25.229 ( -4.802 0.000 -6.877) 8.388 25.523 ( 2.891 0.000 2.939) 4.123 25.891 ( -1.808 0.000 5.536) 5.824 26.817 ( 8.062 0.000 3.580) 8.821 28.602 ( 5.569 0.000 -33.199) 33.662 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 24.524 0.000 7.933) 25.775 2.287 ( 28.523 0.000 9.226) 29.978 2.334 ( -5.160 0.000 -16.595) 17.379 2.711 ( -20.866 0.000 -12.872) 24.517 3.013 ( -2.329 0.000 8.643) 8.952 3.351 ( -16.933 0.000 7.542) 18.537 3.449 ( -9.689 0.000 -1.514) 9.807 3.506 ( 12.209 0.000 -10.203) 15.911 3.806 ( 4.386 0.000 6.602) 7.926 3.926 ( 6.895 0.000 9.955) 12.110 4.145 ( 8.658 0.000 2.260) 8.948 4.288 ( 10.507 0.000 4.418) 11.398 4.422 ( 3.684 0.000 2.076) 4.229 4.625 ( 3.144 0.000 5.416) 6.263 4.626 ( 1.676 0.000 -1.567) 2.295 4.703 ( 7.385 0.000 -0.793) 7.428 4.884 ( -0.529 0.000 -1.056) 1.181 4.915 ( 3.071 0.000 2.210) 3.784 5.055 ( -8.822 0.000 0.370) 8.830 5.180 ( 3.218 0.000 -1.561) 3.576 5.467 ( 11.187 0.000 -4.905) 12.215 5.538 ( 7.897 0.000 -0.597) 7.919 5.559 ( -0.625 0.000 -8.145) 8.169 5.618 ( 2.443 0.000 2.629) 3.589 5.775 ( 3.728 0.000 3.344) 5.008 5.819 ( 3.011 0.000 -2.039) 3.636 5.980 ( 0.936 0.000 -7.704) 7.761 6.004 ( 1.464 0.000 1.824) 2.339 6.172 ( 2.438 0.000 -4.695) 5.291 6.341 ( -7.062 0.000 -3.320) 7.804 6.382 ( 6.500 0.000 3.948) 7.605 6.640 ( -0.755 0.000 3.843) 3.916 6.781 ( 2.094 0.000 -1.376) 2.505 6.882 ( 3.651 0.000 -6.335) 7.311 6.971 ( -5.772 0.000 -0.391) 5.785 7.076 ( -13.772 0.000 -0.552) 13.783 7.109 ( 0.011 0.000 0.258) 0.259 7.156 ( -5.459 0.000 -1.012) 5.552 7.359 ( -9.498 0.000 5.954) 11.210 7.521 ( 7.543 0.000 -5.657) 9.429 7.750 ( -7.019 0.000 -2.669) 7.510 7.764 ( -20.316 0.000 0.580) 20.324 7.924 ( -5.030 0.000 12.657) 13.620 7.993 ( -8.401 0.000 4.496) 9.528 8.035 ( 5.709 0.000 -3.325) 6.607 8.323 ( -7.578 0.000 10.085) 12.615 8.637 ( 0.386 0.000 -10.407) 10.414 8.776 ( 2.265 0.000 -3.781) 4.408 9.066 ( -0.348 0.000 4.076) 4.090 9.461 ( 0.501 0.000 -3.946) 3.978 9.865 ( -2.507 0.000 1.018) 2.706 10.129 ( 3.096 0.000 -4.055) 5.102 10.256 ( 0.384 0.000 0.522) 0.648 10.422 ( 3.318 0.000 0.107) 3.320 10.827 ( 0.749 0.000 4.674) 4.734 11.398 ( -0.697 0.000 3.281) 3.354 11.412 ( 1.347 0.000 5.029) 5.206 11.475 ( 1.615 0.000 -11.227) 11.343 11.746 ( 0.687 0.000 0.584) 0.902 11.937 ( 1.763 0.000 7.979) 8.172 12.257 ( 0.859 0.000 3.044) 3.163 12.330 ( 2.349 0.000 -9.080) 9.379 13.705 ( -5.377 0.000 4.133) 6.782 13.980 ( -1.070 0.000 -3.971) 4.113 14.326 ( -0.328 0.000 3.843) 3.857 14.419 ( -2.137 0.000 2.899) 3.601 14.522 ( 1.244 0.000 0.038) 1.245 15.002 ( 0.795 0.000 -9.760) 9.792 16.675 ( 0.351 0.000 -0.351) 0.497 16.729 ( -0.461 0.000 -0.655) 0.801 18.820 ( 0.154 0.000 2.413) 2.418 19.115 ( 0.143 0.000 -4.625) 4.627 19.924 ( -1.318 0.000 1.913) 2.323 19.985 ( 1.288 0.000 -2.910) 3.183 20.175 ( -0.516 0.000 0.852) 0.996 20.185 ( 0.082 0.000 0.853) 0.857 20.577 ( -2.840 0.000 4.207) 5.075 20.686 ( 1.180 0.000 -2.031) 2.349 20.749 ( 0.024 0.000 3.530) 3.530 20.862 ( -1.308 0.000 -1.001) 1.647 22.109 ( -0.315 0.000 1.522) 1.555 22.241 ( 2.390 0.000 -3.503) 4.240 22.471 ( 0.555 0.000 1.290) 1.405 22.556 ( 0.462 0.000 -1.754) 1.814 22.735 ( 1.196 0.000 0.194) 1.212 22.848 ( 0.655 0.000 -2.316) 2.407 23.858 ( 0.305 0.000 0.282) 0.415 23.902 ( -0.312 0.000 -0.776) 0.836 23.978 ( -2.683 0.000 24.765) 24.910 24.137 ( -2.282 0.000 9.499) 9.769 24.545 ( 2.590 0.000 -2.070) 3.315 25.167 ( -1.096 0.000 -8.231) 8.303 25.572 ( 1.671 0.000 3.015) 3.447 25.832 ( -3.555 0.000 2.464) 4.325 26.955 ( 5.032 0.000 7.905) 9.371 28.634 ( -0.661 0.000 -27.631) 27.639 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -31.756 0.000 0.406) 31.759 2.180 ( -8.060 0.000 -14.160) 16.293 2.306 ( -16.611 0.000 12.818) 20.982 2.902 ( 23.632 0.000 -6.548) 24.522 3.067 ( 6.215 0.000 6.554) 9.032 3.158 ( -16.467 0.000 -14.951) 22.242 3.264 ( 15.481 0.000 1.484) 15.552 3.519 ( -15.814 0.000 9.573) 18.486 3.905 ( 2.623 0.000 6.704) 7.199 4.016 ( 2.897 0.000 2.447) 3.792 4.211 ( -5.271 0.000 0.666) 5.312 4.324 ( 2.236 0.000 5.924) 6.332 4.367 ( -7.911 0.000 6.762) 10.407 4.537 ( -17.153 0.000 -6.877) 18.480 4.726 ( 1.091 0.000 -1.798) 2.103 4.734 ( 1.617 0.000 10.219) 10.346 4.879 ( -1.187 0.000 1.891) 2.233 4.881 ( -2.566 0.000 -1.876) 3.179 5.049 ( 6.072 0.000 1.095) 6.170 5.101 ( -6.259 0.000 -5.534) 8.355 5.491 ( -4.261 0.000 -2.241) 4.814 5.503 ( -7.456 0.000 -8.055) 10.976 5.599 ( -0.920 0.000 -3.142) 3.274 5.639 ( -6.243 0.000 5.318) 8.201 5.818 ( 1.784 0.000 4.624) 4.956 5.888 ( 3.893 0.000 -0.659) 3.949 6.034 ( 5.050 0.000 -2.648) 5.702 6.057 ( 2.267 0.000 3.405) 4.091 6.203 ( -2.428 0.000 -6.398) 6.844 6.268 ( 0.149 0.000 -5.793) 5.795 6.507 ( -15.166 0.000 7.835) 17.070 6.622 ( 2.612 0.000 1.681) 3.106 6.688 ( 10.462 0.000 -3.719) 11.103 6.819 ( -5.637 0.000 -6.076) 8.288 7.057 ( 8.659 0.000 -0.200) 8.661 7.068 ( 13.193 0.000 4.824) 14.048 7.121 ( 12.456 0.000 -7.723) 14.656 7.255 ( 2.020 0.000 1.024) 2.265 7.312 ( -13.732 0.000 0.139) 13.733 7.453 ( 8.687 0.000 3.146) 9.239 7.606 ( -5.213 0.000 2.526) 5.792 7.725 ( 9.212 0.000 -7.045) 11.597 7.817 ( -5.989 0.000 1.275) 6.123 7.918 ( 5.090 0.000 3.887) 6.404 8.186 ( 4.364 0.000 1.512) 4.619 8.214 ( -0.311 0.000 5.046) 5.056 8.676 ( 1.978 0.000 -6.109) 6.422 8.861 ( 7.268 0.000 -1.010) 7.338 9.169 ( 9.772 0.000 7.081) 12.068 9.493 ( 2.729 0.000 -3.900) 4.760 9.791 ( -4.822 0.000 -0.207) 4.827 10.082 ( -3.912 0.000 -6.761) 7.811 10.290 ( -0.773 0.000 2.932) 3.032 10.450 ( -0.695 0.000 0.258) 0.741 10.864 ( 3.055 0.000 5.857) 6.606 11.320 ( -6.831 0.000 -0.781) 6.876 11.426 ( -0.253 0.000 6.701) 6.706 11.529 ( 3.206 0.000 -11.120) 11.573 11.755 ( 0.150 0.000 -0.111) 0.187 11.937 ( -1.289 0.000 10.012) 10.094 12.227 ( -3.890 0.000 1.430) 4.145 12.367 ( 1.631 0.000 -6.996) 7.183 13.646 ( -0.156 0.000 2.177) 2.183 13.986 ( 1.703 0.000 -3.227) 3.649 14.323 ( 0.113 0.000 3.900) 3.902 14.407 ( 0.727 0.000 2.195) 2.313 14.548 ( 1.403 0.000 1.104) 1.785 15.007 ( -0.252 0.000 -9.612) 9.616 16.682 ( 0.322 0.000 0.035) 0.324 16.719 ( -0.490 0.000 -1.079) 1.185 18.826 ( 0.514 0.000 2.489) 2.542 19.122 ( 0.589 0.000 -4.517) 4.555 19.889 ( -2.018 0.000 0.582) 2.100 20.011 ( 1.118 0.000 -1.828) 2.143 20.177 ( 0.979 0.000 0.693) 1.199 20.181 ( -0.591 0.000 0.702) 0.918 20.536 ( -1.213 0.000 3.081) 3.311 20.714 ( 1.291 0.000 -0.799) 1.519 20.743 ( -0.621 0.000 2.658) 2.730 20.891 ( 4.381 0.000 0.230) 4.387 22.101 ( -0.322 0.000 0.998) 1.049 22.282 ( 1.663 0.000 -2.578) 3.068 22.482 ( 0.463 0.000 1.614) 1.679 22.559 ( -0.286 0.000 -1.969) 1.990 22.731 ( -1.695 0.000 0.230) 1.710 22.837 ( -1.627 0.000 -2.838) 3.272 23.860 ( -0.124 0.000 0.280) 0.306 23.897 ( -0.222 0.000 -0.928) 0.955 23.957 ( 0.437 0.000 24.718) 24.722 24.122 ( 0.578 0.000 9.527) 9.544 24.561 ( -1.045 0.000 -1.440) 1.779 25.189 ( 3.437 0.000 -7.891) 8.608 25.584 ( -0.505 0.000 3.902) 3.934 25.768 ( -2.863 0.000 0.108) 2.865 26.999 ( -0.789 0.000 10.226) 10.257 28.583 ( -4.322 0.000 -29.712) 30.024 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -34.166 0.000 2.120) 34.232 1.756 ( -32.273 0.000 19.130) 37.517 2.091 ( -1.024 0.000 -17.354) 17.384 2.748 ( -40.475 0.000 13.545) 42.682 2.875 ( -18.957 0.000 -15.689) 24.608 3.233 ( 9.206 0.000 7.357) 11.785 3.360 ( 12.177 0.000 0.382) 12.183 3.671 ( 14.177 0.000 4.829) 14.977 3.879 ( -2.383 0.000 3.185) 3.978 3.897 ( -9.429 0.000 7.759) 12.211 4.012 ( -22.070 0.000 -5.589) 22.766 4.259 ( 7.699 0.000 4.810) 9.078 4.276 ( -7.235 0.000 2.498) 7.654 4.381 ( -3.071 0.000 3.054) 4.331 4.591 ( -6.090 0.000 4.272) 7.439 4.745 ( -1.503 0.000 -4.932) 5.156 4.923 ( 5.292 0.000 3.216) 6.192 4.939 ( -3.128 0.000 -5.618) 6.430 4.973 ( 2.337 0.000 -8.218) 8.544 5.086 ( -8.226 0.000 -1.210) 8.314 5.235 ( -8.282 0.000 -4.514) 9.432 5.390 ( -4.241 0.000 4.472) 6.164 5.557 ( -0.180 0.000 3.153) 3.158 5.630 ( 1.952 0.000 -2.467) 3.146 5.812 ( -12.446 0.000 1.987) 12.603 5.818 ( -1.731 0.000 7.231) 7.435 6.069 ( -1.321 0.000 -3.666) 3.897 6.097 ( -0.496 0.000 4.680) 4.706 6.112 ( -2.282 0.000 -6.720) 7.097 6.203 ( -8.992 0.000 2.987) 9.475 6.244 ( -4.589 0.000 -12.075) 12.917 6.649 ( 1.022 0.000 -4.719) 4.828 6.804 ( -8.242 0.000 -5.258) 9.777 6.871 ( 1.545 0.000 1.273) 2.002 7.112 ( 4.405 0.000 13.218) 13.933 7.138 ( -1.297 0.000 9.018) 9.111 7.306 ( 3.643 0.000 -0.888) 3.749 7.365 ( 18.365 0.000 0.936) 18.389 7.472 ( 15.352 0.000 -0.767) 15.371 7.638 ( 4.005 0.000 1.940) 4.450 7.717 ( 14.079 0.000 -1.493) 14.158 7.778 ( 13.579 0.000 -9.203) 16.404 8.025 ( 14.153 0.000 -4.766) 14.934 8.062 ( 5.941 0.000 5.726) 8.251 8.203 ( 7.457 0.000 -1.732) 7.656 8.336 ( 5.732 0.000 1.014) 5.821 8.693 ( -0.170 0.000 -5.676) 5.679 9.014 ( 5.622 0.000 1.678) 5.867 9.398 ( 11.669 0.000 7.971) 14.132 9.572 ( 5.205 0.000 -0.928) 5.287 9.690 ( -4.506 0.000 3.240) 5.550 10.031 ( -0.213 0.000 -0.039) 0.216 10.230 ( -3.747 0.000 -4.169) 5.605 10.402 ( -3.716 0.000 -2.107) 4.272 10.902 ( -1.083 0.000 5.256) 5.367 11.140 ( -10.957 0.000 -6.345) 12.661 11.399 ( -2.480 0.000 7.480) 7.881 11.567 ( -0.023 0.000 -6.770) 6.770 11.759 ( 0.555 0.000 0.870) 1.032 11.916 ( -0.258 0.000 9.131) 9.135 12.112 ( -7.281 0.000 -0.377) 7.291 12.398 ( 1.698 0.000 -5.368) 5.630 13.708 ( 6.239 0.000 1.841) 6.505 14.049 ( 5.028 0.000 -0.090) 5.029 14.334 ( 1.036 0.000 4.499) 4.617 14.436 ( 1.734 0.000 0.115) 1.738 14.578 ( 1.670 0.000 2.472) 2.984 14.992 ( -0.953 0.000 -8.784) 8.836 16.687 ( 0.169 0.000 0.395) 0.430 16.712 ( -0.141 0.000 -1.318) 1.325 18.843 ( 1.177 0.000 2.629) 2.880 19.133 ( 0.509 0.000 -4.629) 4.656 19.857 ( -0.997 0.000 0.779) 1.265 20.020 ( -0.162 0.000 -0.007) 0.162 20.163 ( -1.130 0.000 0.695) 1.326 20.222 ( 3.483 0.000 -0.501) 3.519 20.534 ( 1.067 0.000 3.361) 3.527 20.725 ( -0.182 0.000 0.070) 0.195 20.726 ( -1.102 0.000 2.630) 2.852 21.020 ( 7.809 0.000 -0.035) 7.809 22.103 ( 0.651 0.000 0.210) 0.684 22.297 ( -0.500 0.000 -3.815) 3.847 22.488 ( 0.061 0.000 1.236) 1.238 22.541 ( -1.496 0.000 -2.685) 3.074 22.670 ( -4.256 0.000 0.877) 4.346 22.790 ( -2.815 0.000 -2.304) 3.637 23.854 ( -0.456 0.000 0.392) 0.602 23.895 ( 0.100 0.000 -1.204) 1.208 23.995 ( 2.453 0.000 14.434) 14.641 24.193 ( 8.421 0.000 25.437) 26.794 24.511 ( -3.613 0.000 -1.525) 3.922 25.295 ( 7.042 0.000 -5.505) 8.938 25.557 ( -2.054 0.000 5.636) 5.999 25.716 ( -2.502 0.000 -1.459) 2.897 26.932 ( -5.806 0.000 10.132) 11.678 28.425 ( -12.880 0.000 -39.299) 41.356 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -20.965 0.000 20.674) 29.444 1.122 ( -30.284 0.000 26.267) 40.088 1.772 ( -49.606 0.000 37.476) 62.171 2.186 ( 11.235 0.000 -15.629) 19.248 2.655 ( -5.794 0.000 -26.708) 27.329 3.276 ( -14.410 0.000 4.223) 15.016 3.512 ( 2.921 0.000 5.804) 6.498 3.532 ( -10.995 0.000 1.224) 11.062 3.644 ( -0.223 0.000 2.022) 2.035 3.716 ( -8.696 0.000 7.016) 11.174 4.114 ( -10.307 0.000 -0.068) 10.307 4.175 ( -9.957 0.000 1.774) 10.114 4.254 ( 19.741 0.000 -0.256) 19.743 4.436 ( 6.268 0.000 -2.524) 6.757 4.647 ( -5.025 0.000 1.641) 5.286 4.661 ( 7.768 0.000 8.304) 11.371 4.806 ( -5.840 0.000 -14.265) 15.414 4.856 ( -6.303 0.000 -14.774) 16.062 5.071 ( 6.477 0.000 3.814) 7.517 5.093 ( 3.737 0.000 4.581) 5.912 5.182 ( 0.981 0.000 -1.654) 1.923 5.405 ( 5.775 0.000 5.297) 7.837 5.567 ( -7.674 0.000 3.586) 8.471 5.577 ( 0.137 0.000 8.203) 8.205 5.651 ( -0.563 0.000 -1.285) 1.403 5.788 ( -0.156 0.000 4.523) 4.525 6.003 ( -5.155 0.000 -1.769) 5.450 6.023 ( -2.769 0.000 -3.622) 4.559 6.088 ( -9.051 0.000 -12.966) 15.812 6.114 ( -0.916 0.000 0.563) 1.075 6.173 ( 4.343 0.000 1.676) 4.655 6.556 ( -10.806 0.000 -2.930) 11.196 6.704 ( 2.547 0.000 -6.174) 6.679 6.832 ( -3.452 0.000 0.303) 3.465 7.109 ( 1.027 0.000 13.582) 13.620 7.166 ( -3.558 0.000 4.756) 5.940 7.410 ( 10.161 0.000 12.109) 15.807 7.690 ( 9.772 0.000 -5.143) 11.042 7.727 ( 8.592 0.000 2.154) 8.858 7.836 ( 13.378 0.000 0.190) 13.379 7.946 ( 10.166 0.000 -0.796) 10.197 8.056 ( 11.787 0.000 -7.746) 14.104 8.174 ( 4.463 0.000 3.159) 5.468 8.254 ( 8.099 0.000 -3.945) 9.009 8.414 ( 8.127 0.000 -0.896) 8.176 8.430 ( 4.664 0.000 0.209) 4.669 8.667 ( -2.003 0.000 -6.170) 6.487 9.024 ( -4.313 0.000 3.849) 5.781 9.529 ( 1.577 0.000 -1.211) 1.988 9.649 ( 1.424 0.000 0.210) 1.440 9.739 ( 12.092 0.000 17.705) 21.440 10.133 ( 10.686 0.000 4.150) 11.463 10.182 ( -0.771 0.000 -9.530) 9.561 10.322 ( -3.869 0.000 -6.024) 7.160 10.769 ( -12.564 0.000 3.495) 13.041 10.900 ( -12.811 0.000 -8.249) 15.237 11.350 ( -2.003 0.000 5.911) 6.241 11.525 ( -3.283 0.000 -1.840) 3.764 11.789 ( 2.388 0.000 2.611) 3.538 11.935 ( 1.305 0.000 3.734) 3.956 11.972 ( -5.834 0.000 -0.268) 5.840 12.417 ( -1.320 0.000 -7.264) 7.383 13.864 ( 8.310 0.000 3.913) 9.185 14.200 ( 9.609 0.000 2.655) 9.969 14.383 ( 5.447 0.000 7.171) 9.005 14.462 ( 0.768 0.000 -1.734) 1.897 14.611 ( 1.325 0.000 3.152) 3.420 14.976 ( -0.269 0.000 -7.159) 7.164 16.689 ( 0.022 0.000 0.611) 0.612 16.714 ( 0.389 0.000 -1.212) 1.273 18.868 ( 0.804 0.000 1.855) 2.022 19.138 ( -0.014 0.000 -4.960) 4.960 19.854 ( 0.720 0.000 2.211) 2.326 20.014 ( -0.218 0.000 1.337) 1.355 20.142 ( -0.810 0.000 0.945) 1.244 20.292 ( 2.237 0.000 -3.664) 4.293 20.609 ( 7.979 0.000 7.255) 10.784 20.703 ( -0.836 0.000 3.690) 3.784 20.712 ( -0.974 0.000 -0.176) 0.990 21.161 ( 5.414 0.000 -1.087) 5.522 22.120 ( 0.699 0.000 -1.022) 1.238 22.223 ( -8.508 0.000 -8.465) 12.002 22.482 ( -0.762 0.000 -0.044) 0.763 22.508 ( -1.345 0.000 -1.689) 2.159 22.585 ( -3.456 0.000 2.683) 4.375 22.737 ( -2.209 0.000 -1.477) 2.657 23.845 ( -0.414 0.000 0.465) 0.622 23.900 ( 0.387 0.000 -1.353) 1.408 24.035 ( 1.470 0.000 5.719) 5.905 24.438 ( -3.328 0.000 -1.916) 3.840 24.615 ( 40.754 0.000 46.509) 61.838 25.441 ( 6.471 0.000 -3.398) 7.309 25.524 ( -0.097 0.000 9.852) 9.852 25.674 ( -0.907 0.000 -0.258) 0.944 26.795 ( -7.385 0.000 6.670) 9.951 27.920 ( -44.732 0.000 -56.073) 71.729 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 7.499 27.989 18.057) 34.141 1.118 ( 14.946 22.437 32.152) 41.959 1.663 ( -9.609 41.673 38.466) 57.520 2.373 ( 10.175 -5.524 -14.187) 18.311 2.747 ( 2.567 4.649 -13.979) 14.954 3.079 ( -8.728 17.201 -9.077) 21.318 3.425 ( -3.768 0.994 7.164) 8.155 3.517 ( 1.989 2.444 10.088) 10.569 3.631 ( -1.779 3.759 -0.205) 4.163 3.904 ( 13.996 5.497 -0.994) 15.069 3.973 ( -9.591 7.009 0.908) 11.914 4.113 ( 0.838 2.542 3.019) 4.035 4.288 ( -0.477 -12.289 3.593) 12.812 4.375 ( 1.834 -9.746 -2.965) 10.351 4.506 ( -3.446 -10.271 3.701) 11.449 4.612 ( -10.367 -5.645 -8.342) 14.454 4.682 ( 5.774 -2.385 -4.723) 7.831 4.846 ( 1.489 -0.972 -1.057) 2.069 4.930 ( -2.729 3.823 -13.537) 14.329 5.072 ( -6.798 -14.358 8.077) 17.821 5.264 ( 7.360 -5.817 3.582) 10.042 5.374 ( 7.621 -2.409 -11.946) 14.373 5.481 ( -4.717 0.277 0.344) 4.738 5.576 ( -0.374 -2.126 10.445) 10.666 5.641 ( -1.400 -13.262 -2.886) 13.644 5.668 ( -4.078 -3.191 3.561) 6.284 5.857 ( -7.360 -6.670 -1.126) 9.996 5.933 ( 1.482 -1.334 -9.614) 9.819 6.060 ( 5.246 -10.788 4.383) 12.772 6.114 ( 1.662 1.192 -2.527) 3.252 6.317 ( 1.212 6.740 -10.668) 12.677 6.490 ( 0.572 3.788 -2.033) 4.337 6.717 ( 0.157 -4.565 -4.791) 6.619 6.828 ( -1.813 3.250 -3.032) 4.801 7.103 ( -1.786 2.529 5.238) 6.085 7.142 ( -1.736 -2.940 6.206) 7.083 7.697 ( 5.511 8.676 9.732) 14.155 7.782 ( 0.960 -0.077 5.000) 5.092 7.821 ( 2.433 3.712 -2.445) 5.067 8.024 ( 0.931 0.110 2.034) 2.239 8.084 ( -3.719 4.222 0.674) 5.666 8.193 ( 1.358 4.814 2.704) 5.686 8.252 ( -1.169 2.089 -0.675) 2.487 8.321 ( 0.929 0.396 -3.436) 3.581 8.441 ( -1.645 0.811 -0.646) 1.945 8.654 ( 8.603 6.510 6.204) 12.445 8.669 ( -3.809 3.264 -9.491) 10.736 8.981 ( -4.217 5.829 0.733) 7.232 9.529 ( 3.294 -4.405 2.493) 6.040 9.606 ( -2.217 -3.471 3.005) 5.098 9.885 ( -1.061 -3.212 9.051) 9.663 10.050 ( -7.516 -8.728 -3.562) 12.056 10.202 ( 3.533 -5.437 -3.248) 7.252 10.303 ( 6.587 -5.071 -7.130) 10.952 10.505 ( -9.022 1.161 0.734) 9.126 10.834 ( 11.609 3.055 -4.159) 12.704 11.281 ( -0.062 -2.389 4.956) 5.502 11.539 ( -2.900 -4.771 10.605) 11.985 11.619 ( -1.538 4.730 1.582) 5.219 11.967 ( -0.311 5.532 1.113) 5.651 12.187 ( 0.079 -1.301 -2.999) 3.270 12.486 ( -5.495 14.686 -18.132) 23.972 14.008 ( 1.004 -0.321 3.309) 3.472 14.127 ( 1.112 -14.041 6.715) 15.604 14.237 ( 3.439 -6.429 1.083) 7.370 14.575 ( -1.773 2.306 0.879) 3.039 14.755 ( -1.669 4.350 -3.803) 6.014 14.959 ( -0.586 -1.842 -5.353) 5.692 16.665 ( -0.301 -0.838 -0.528) 1.035 16.707 ( 0.548 -1.573 -0.797) 1.846 18.803 ( -0.954 -0.808 3.168) 3.406 19.165 ( -0.219 3.119 -6.731) 7.422 19.805 ( -1.460 -5.191 5.157) 7.461 20.005 ( 0.039 2.647 -0.775) 2.759 20.237 ( 3.337 4.577 -3.027) 6.422 20.263 ( -1.650 0.001 -2.388) 2.903 20.695 ( -0.086 1.417 4.313) 4.541 20.743 ( 0.866 3.747 2.956) 4.851 20.868 ( -0.393 6.989 8.001) 10.631 21.476 ( -2.721 13.673 -17.269) 22.194 22.015 ( -2.632 1.343 0.926) 3.097 22.125 ( -0.885 0.730 -2.061) 2.359 22.462 ( 0.800 -1.152 5.725) 5.894 22.548 ( 0.532 3.332 -0.528) 3.415 22.579 ( -0.455 3.448 -0.634) 3.535 22.701 ( 0.912 -1.824 -0.818) 2.197 23.666 ( -0.272 -17.146 2.425) 17.319 23.810 ( -2.287 -4.584 -4.371) 6.735 24.064 ( -0.703 0.049 5.818) 5.861 24.266 ( 1.529 -4.301 7.729) 8.976 25.360 ( 0.969 -0.423 -0.286) 1.095 25.568 ( -3.434 5.471 -6.402) 9.095 25.801 ( 6.995 6.393 5.345) 10.879 25.952 ( -19.132 2.838 -0.493) 19.348 26.640 ( 12.219 -5.509 2.995) 13.734 26.845 ( 12.114 -0.289 -3.058) 12.498 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 9.583 25.106 23.026) 35.389 1.324 ( 25.667 24.373 12.537) 37.550 2.195 ( 45.696 23.480 32.698) 60.898 2.540 ( 1.696 -5.212 -10.760) 12.075 2.736 ( 5.612 2.646 -21.356) 22.239 3.139 ( 8.423 10.283 7.300) 15.165 3.400 ( 0.653 -0.438 3.184) 3.280 3.555 ( -2.335 4.322 -3.298) 5.916 3.664 ( 2.189 6.304 6.938) 9.626 3.877 ( 6.407 5.111 2.364) 8.530 4.111 ( -3.089 -9.403 2.537) 10.217 4.181 ( 1.839 0.460 0.864) 2.084 4.309 ( 8.259 -0.569 2.826) 8.747 4.379 ( -4.935 -2.611 0.684) 5.625 4.398 ( 0.384 -8.477 -2.107) 8.743 4.510 ( 3.845 -3.597 -2.584) 5.865 4.740 ( -2.082 1.955 -8.011) 8.505 4.812 ( -1.444 0.519 -1.672) 2.270 4.871 ( -2.461 -1.559 2.320) 3.724 5.074 ( 8.361 -5.869 -12.450) 16.105 5.330 ( -2.520 -3.676 -0.478) 4.482 5.357 ( -1.781 -5.589 5.809) 8.255 5.471 ( -2.602 -7.304 -3.954) 8.704 5.533 ( -3.164 -1.606 -2.412) 4.290 5.601 ( -1.438 -2.125 3.984) 4.739 5.668 ( 5.330 -3.854 0.482) 6.595 5.815 ( 2.931 -5.993 1.089) 6.760 5.932 ( -0.738 -4.190 -10.729) 11.542 6.151 ( 4.168 -1.115 2.079) 4.789 6.236 ( 7.832 -5.881 1.587) 9.922 6.333 ( 2.329 6.910 -1.691) 7.485 6.501 ( 1.168 1.320 -6.728) 6.955 6.724 ( 0.688 -6.355 -1.656) 6.603 6.812 ( 0.793 4.904 -1.424) 5.167 7.041 ( -2.716 1.905 8.413) 9.044 7.119 ( 0.079 2.305 5.107) 5.604 7.649 ( -8.921 7.153 6.698) 13.252 7.762 ( -5.141 0.688 4.423) 6.817 7.767 ( -9.596 1.049 -2.529) 9.979 7.913 ( -9.471 2.815 4.438) 10.831 7.975 ( -5.466 4.681 -2.553) 7.636 8.121 ( -9.499 -3.660 -5.548) 11.593 8.130 ( -8.926 -1.737 5.766) 10.767 8.303 ( -3.244 2.107 -1.221) 4.057 8.352 ( -6.516 2.708 -1.739) 7.267 8.623 ( -2.628 1.585 -3.417) 4.593 8.788 ( 4.144 8.665 2.643) 9.961 8.891 ( -5.087 7.184 -4.350) 9.818 9.455 ( -11.461 -1.371 9.380) 14.873 9.566 ( -1.622 -1.495 -1.557) 2.700 9.820 ( -4.031 -1.112 3.578) 5.504 9.940 ( 1.032 -5.756 0.697) 5.889 10.252 ( 1.733 -3.562 -3.846) 5.521 10.316 ( -2.590 2.302 -5.697) 6.668 10.567 ( 10.167 -9.332 0.786) 13.823 11.148 ( 14.668 -3.691 -5.015) 15.935 11.293 ( 1.059 -2.890 2.274) 3.827 11.470 ( -2.676 -2.276 13.855) 14.293 11.676 ( 6.082 2.264 -1.968) 6.782 11.952 ( -1.611 10.062 2.239) 10.433 12.156 ( -2.136 -1.999 -5.378) 6.123 12.401 ( -0.597 16.092 -8.043) 18.000 13.970 ( -4.334 -2.228 3.518) 6.010 14.093 ( -5.117 -7.891 4.782) 10.551 14.240 ( -1.952 -5.309 4.921) 7.497 14.508 ( -3.061 2.043 -2.954) 4.719 14.652 ( -5.354 4.795 0.494) 7.204 14.940 ( -0.424 -2.114 -5.920) 6.301 16.661 ( -0.118 -0.590 -0.895) 1.078 16.716 ( 0.284 -1.644 -0.434) 1.724 18.801 ( 0.513 0.340 2.720) 2.789 19.156 ( -0.488 3.176 -6.631) 7.369 19.783 ( -0.521 -5.200 4.105) 6.645 20.012 ( 0.668 2.094 -0.048) 2.198 20.230 ( -0.822 3.534 -0.419) 3.653 20.289 ( 1.180 3.038 -3.437) 4.737 20.703 ( 0.776 1.105 4.329) 4.535 20.741 ( -0.503 4.652 0.656) 4.725 20.821 ( -3.718 7.658 9.310) 12.615 21.234 ( -13.964 9.612 -8.252) 18.855 22.099 ( 2.807 0.755 -2.658) 3.939 22.133 ( 3.804 2.157 -2.676) 5.127 22.480 ( 0.756 1.308 2.886) 3.257 22.572 ( 0.337 3.760 -1.790) 4.178 22.601 ( 3.624 -0.149 1.356) 3.872 22.744 ( 3.036 -1.267 -0.479) 3.325 23.666 ( 0.187 -17.016 2.129) 17.150 23.762 ( -2.178 -7.097 -1.978) 7.683 24.058 ( 0.025 0.080 6.060) 6.060 24.300 ( 1.626 -1.924 7.305) 7.727 25.076 ( -26.950 23.096 12.200) 37.531 25.396 ( -4.326 4.884 -2.565) 7.010 25.574 ( -1.207 9.059 0.725) 9.168 25.898 ( 2.405 2.969 7.644) 8.545 26.668 ( 3.150 -1.523 -0.346) 3.516 27.828 ( 39.329 -33.794 -26.400) 58.187 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 26.449 9.997 12.087) 30.750 1.895 ( 29.861 17.870 8.073) 35.724 2.480 ( -3.495 5.014 -16.828) 17.903 2.963 ( 11.528 -6.604 -6.790) 14.920 2.998 ( 19.391 12.796 14.030) 27.140 3.222 ( 1.752 3.683 6.766) 7.900 3.392 ( -2.416 -0.276 -3.485) 4.249 3.598 ( 14.089 7.903 6.488) 17.409 3.636 ( -4.704 -0.948 5.135) 7.028 3.888 ( -5.836 -7.883 6.640) 11.844 4.047 ( 0.342 -7.505 1.666) 7.695 4.121 ( -9.265 -5.044 0.784) 10.578 4.309 ( 8.688 7.132 -4.499) 12.108 4.518 ( 5.069 -3.296 0.648) 6.081 4.571 ( 6.881 -2.658 -2.738) 7.868 4.620 ( 8.220 3.416 9.088) 12.721 4.728 ( 3.732 7.155 -5.998) 10.055 4.856 ( 10.057 -2.284 -0.792) 10.344 5.011 ( 7.015 0.649 -4.323) 8.265 5.205 ( 5.512 -2.114 -6.503) 8.783 5.310 ( -0.691 -1.069 -5.578) 5.721 5.331 ( 0.048 -9.623 3.859) 10.368 5.387 ( 4.437 -12.137 2.542) 13.170 5.549 ( 3.048 -1.934 -7.041) 7.912 5.611 ( 2.147 2.931 3.780) 5.243 5.820 ( 8.435 -1.091 -3.271) 9.113 5.867 ( 1.826 -2.232 -0.861) 3.010 5.973 ( 4.629 -3.215 -4.829) 7.422 6.188 ( -0.965 -0.103 -0.701) 1.197 6.304 ( -1.041 -3.599 2.184) 4.336 6.447 ( 6.856 -2.150 2.287) 7.540 6.506 ( -1.379 0.873 -6.710) 6.906 6.774 ( 4.992 -2.792 -2.069) 6.083 6.842 ( 0.403 4.007 1.502) 4.298 7.012 ( -0.978 0.837 4.929) 5.094 7.108 ( -2.246 2.659 5.189) 6.248 7.401 ( -20.131 -1.621 -0.357) 20.200 7.492 ( -6.739 3.878 1.177) 7.864 7.618 ( -15.122 6.233 1.517) 16.426 7.629 ( -11.390 4.839 2.288) 12.585 7.908 ( -8.157 0.089 -4.721) 9.425 7.927 ( -9.046 -5.184 7.378) 12.772 7.954 ( -2.653 -3.984 -4.993) 6.917 8.136 ( -14.556 -0.318 0.605) 14.572 8.218 ( -5.590 4.417 1.853) 7.361 8.534 ( -5.934 2.030 2.452) 6.734 8.757 ( -7.763 4.877 -6.875) 11.459 8.829 ( 0.533 10.097 -2.609) 10.443 9.214 ( -11.083 2.793 7.106) 13.459 9.518 ( -1.865 2.709 -3.444) 4.762 9.825 ( 4.070 -3.528 3.126) 6.227 10.030 ( 4.973 1.966 2.528) 5.914 10.266 ( -0.960 -3.015 -3.928) 5.044 10.312 ( 3.321 -1.248 -3.101) 4.712 10.733 ( 6.079 -5.667 1.463) 8.438 11.294 ( 0.979 -6.720 6.843) 9.641 11.364 ( 5.411 -0.912 -6.620) 8.599 11.458 ( 1.495 0.652 5.459) 5.698 11.779 ( 1.943 -1.982 -4.638) 5.405 11.947 ( 2.852 13.121 7.131) 15.204 12.143 ( 0.542 -4.302 -6.491) 7.806 12.421 ( 1.350 9.732 -0.706) 9.850 13.860 ( -6.141 0.550 3.084) 6.894 13.982 ( -4.780 -5.136 -0.325) 7.024 14.197 ( -2.401 -8.623 6.648) 11.150 14.481 ( -0.264 -0.634 -4.429) 4.482 14.571 ( -3.024 4.384 2.851) 6.041 14.940 ( 0.412 -3.589 -7.055) 7.926 16.661 ( 0.129 -0.638 -0.787) 1.021 16.717 ( -0.112 -1.579 -0.410) 1.635 18.810 ( 0.235 0.142 2.391) 2.407 19.145 ( -0.497 2.907 -6.336) 6.988 19.783 ( 0.341 -5.249 2.976) 6.044 20.026 ( 0.543 1.868 -0.166) 1.952 20.230 ( 0.632 3.493 -0.074) 3.550 20.285 ( -1.301 2.959 -2.503) 4.088 20.719 ( 0.566 -0.210 2.950) 3.011 20.739 ( 0.298 3.910 1.124) 4.079 20.751 ( -2.932 11.561 6.533) 13.599 21.011 ( -8.417 5.825 -4.215) 11.070 22.119 ( 0.570 1.004 0.781) 1.394 22.215 ( 3.423 2.739 -4.646) 6.388 22.494 ( 0.679 3.056 2.399) 3.944 22.579 ( 0.420 3.022 -1.521) 3.409 22.672 ( 3.128 -1.428 0.632) 3.496 22.802 ( 2.453 -1.101 -0.996) 2.867 23.670 ( 0.106 -16.273 1.658) 16.357 23.733 ( -0.605 -7.610 -0.722) 7.668 24.064 ( 0.394 0.363 7.104) 7.124 24.313 ( -1.095 2.230 11.925) 12.181 24.743 ( -8.261 22.695 7.256) 25.219 25.334 ( -2.390 8.053 -5.692) 10.147 25.591 ( 1.935 7.007 0.974) 7.334 25.896 ( -2.285 0.910 5.458) 5.987 26.780 ( 6.986 -3.557 3.149) 8.448 28.273 ( 10.805 -29.066 -25.349) 40.051 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 28.035 2.199 4.254) 28.441 2.381 ( 3.695 7.156 -9.492) 12.448 2.443 ( 10.033 11.089 3.386) 15.333 2.813 ( -19.897 9.530 -8.846) 23.769 3.048 ( 0.050 2.399 5.812) 6.288 3.144 ( -14.264 -10.563 12.035) 21.444 3.394 ( -7.171 -2.977 -1.176) 7.853 3.567 ( 10.887 -0.689 -14.983) 18.534 3.823 ( 6.304 3.142 6.169) 9.363 3.967 ( -4.944 -2.435 4.308) 6.995 4.049 ( 2.805 -11.413 3.598) 12.291 4.231 ( 21.888 -0.074 2.408) 22.020 4.431 ( 1.139 1.903 1.129) 2.489 4.562 ( 3.322 -3.707 1.653) 5.245 4.630 ( -0.134 -1.481 6.852) 7.011 4.671 ( -5.460 -5.005 0.532) 7.425 4.835 ( 3.182 2.379 -2.375) 4.629 4.989 ( 3.929 4.044 5.122) 7.618 5.061 ( -2.775 -0.525 0.079) 2.826 5.325 ( 2.387 6.041 -2.939) 7.130 5.377 ( 13.600 -6.283 -1.530) 15.058 5.427 ( 3.771 -4.427 -6.411) 8.655 5.563 ( 7.745 -2.152 0.940) 8.093 5.667 ( 5.880 -0.572 0.592) 5.938 5.697 ( 7.051 2.184 -6.955) 10.142 5.843 ( -3.245 -6.482 -1.120) 7.335 5.928 ( -3.395 2.864 1.289) 4.625 6.046 ( 3.822 -2.232 -1.708) 4.744 6.151 ( -2.536 -1.988 -2.025) 3.806 6.293 ( 6.022 -1.054 -0.775) 6.162 6.462 ( -0.432 1.073 -0.002) 1.157 6.546 ( 1.639 -4.304 5.272) 7.001 6.771 ( 0.835 1.455 -3.122) 3.544 6.896 ( -1.342 -2.345 -2.404) 3.617 6.986 ( -1.351 3.009 -2.780) 4.313 7.040 ( -5.737 -0.999 0.532) 5.848 7.143 ( -9.739 2.020 -0.149) 9.947 7.206 ( -5.776 1.468 1.627) 6.178 7.406 ( -7.948 3.610 2.657) 9.125 7.559 ( -0.584 2.239 -0.760) 2.436 7.677 ( -11.298 -2.193 -3.137) 11.929 7.774 ( -7.666 1.675 -0.117) 7.848 7.919 ( -2.573 -1.813 6.025) 6.798 7.982 ( 0.995 -1.191 0.787) 1.740 8.073 ( -6.396 3.987 1.841) 7.758 8.433 ( -3.992 8.406 4.797) 10.469 8.638 ( -2.138 1.043 -7.725) 8.083 8.836 ( 0.331 5.872 -1.975) 6.204 9.080 ( -1.533 2.050 4.607) 5.270 9.514 ( 1.224 4.730 -4.799) 6.848 9.864 ( -1.156 -0.039 1.464) 1.866 10.095 ( 0.126 -3.262 -4.356) 5.443 10.268 ( 2.307 1.365 1.735) 3.193 10.396 ( 3.653 -1.919 -0.270) 4.136 10.813 ( 2.686 -1.415 4.561) 5.479 11.298 ( -0.703 -7.884 4.480) 9.095 11.395 ( -1.041 -0.236 3.986) 4.126 11.535 ( 4.715 1.864 -8.187) 9.630 11.764 ( -1.559 0.527 -3.976) 4.303 12.034 ( 4.131 9.835 9.980) 14.608 12.154 ( 0.271 -6.863 -7.195) 9.947 12.430 ( -0.557 6.231 1.154) 6.362 13.753 ( -4.163 3.551 1.612) 5.705 13.920 ( -1.548 -6.025 -3.114) 6.957 14.152 ( -2.036 -11.247 6.401) 13.100 14.478 ( -0.160 0.365 -2.464) 2.496 14.542 ( 0.103 2.879 2.738) 3.974 14.949 ( 0.491 -4.616 -7.751) 9.035 16.665 ( 0.297 -0.737 -0.509) 0.944 16.712 ( -0.404 -1.474 -0.694) 1.679 18.812 ( -0.052 -0.100 2.293) 2.296 19.138 ( -0.024 2.534 -6.067) 6.575 19.794 ( 0.656 -4.843 2.957) 5.712 20.030 ( -0.087 1.905 -1.019) 2.162 20.236 ( -1.274 1.008 -2.024) 2.595 20.256 ( -0.228 4.810 -0.519) 4.843 20.687 ( -2.406 7.660 4.328) 9.122 20.749 ( 0.417 2.783 3.838) 4.759 20.756 ( 2.253 6.631 -0.073) 7.003 20.902 ( -2.495 3.767 -1.683) 4.822 22.125 ( -0.035 1.460 1.496) 2.091 22.271 ( 2.400 3.079 -4.023) 5.606 22.504 ( 0.231 3.623 3.027) 4.727 22.588 ( 0.516 2.481 -1.360) 2.876 22.716 ( 1.131 -1.878 0.405) 2.229 22.830 ( 0.236 -1.571 -1.936) 2.504 23.670 ( 0.007 -15.767 1.415) 15.831 23.738 ( 1.077 -6.350 -0.473) 6.458 24.075 ( 0.578 0.221 9.406) 9.426 24.259 ( -3.854 8.222 14.804) 17.367 24.676 ( -0.398 14.507 0.929) 14.542 25.307 ( -0.110 10.891 -7.188) 13.050 25.629 ( 1.577 6.146 1.511) 6.523 25.833 ( -3.627 0.362 2.833) 4.617 26.901 ( 4.407 -5.255 7.006) 9.804 28.370 ( 0.916 -24.464 -23.684) 34.063 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -27.945 8.100 0.707) 29.104 2.261 ( -8.052 7.911 -13.478) 17.580 2.358 ( -28.128 2.008 7.855) 29.273 2.796 ( 24.922 -5.442 1.314) 25.543 3.079 ( -5.010 0.534 -0.831) 5.106 3.186 ( -2.027 5.352 -6.139) 8.393 3.220 ( 16.934 2.157 3.227) 17.373 3.736 ( -1.164 9.217 -0.212) 9.293 3.878 ( -1.020 -3.863 3.793) 5.509 3.942 ( 1.338 -4.914 4.355) 6.701 4.147 ( 5.910 -10.967 4.409) 13.215 4.297 ( -13.107 5.620 4.295) 14.894 4.398 ( -2.458 -8.147 -5.287) 10.018 4.458 ( -12.748 2.205 5.647) 14.116 4.583 ( 0.300 -8.442 1.340) 8.553 4.698 ( 3.063 -4.148 1.315) 5.322 4.834 ( -2.183 0.742 -5.629) 6.083 4.944 ( -7.555 2.660 10.115) 12.902 5.064 ( 1.036 -0.907 -1.097) 1.761 5.227 ( -7.606 6.009 -6.525) 11.685 5.455 ( 1.913 -4.842 -2.704) 5.866 5.529 ( -6.594 1.407 2.439) 7.170 5.572 ( -6.611 1.057 -5.013) 8.364 5.649 ( -4.511 -0.087 4.005) 6.033 5.775 ( -2.090 -1.026 -2.004) 3.071 5.856 ( 3.246 -4.321 -1.958) 5.748 5.909 ( 5.537 -4.225 1.509) 7.126 6.078 ( 0.416 -5.284 -1.747) 5.580 6.184 ( 3.978 1.700 -0.543) 4.360 6.325 ( -3.683 -2.748 -3.804) 5.965 6.510 ( -13.218 0.250 6.588) 14.771 6.571 ( 5.237 -0.902 2.434) 5.845 6.737 ( 2.063 4.506 -5.485) 7.392 6.852 ( 0.918 2.742 -3.180) 4.298 7.015 ( 13.218 -1.312 -3.004) 13.619 7.037 ( 11.373 -4.643 6.144) 13.735 7.145 ( 4.603 1.503 -3.206) 5.808 7.201 ( -10.438 -7.665 1.186) 13.004 7.360 ( 5.033 7.346 -2.887) 9.361 7.476 ( 7.799 1.939 4.387) 9.156 7.623 ( -4.927 1.679 1.094) 5.319 7.743 ( 9.284 1.810 -7.468) 12.052 7.849 ( -7.647 3.491 1.470) 8.534 7.950 ( 5.044 2.229 3.101) 6.327 8.163 ( 8.223 -2.098 0.426) 8.497 8.374 ( -1.935 14.524 3.124) 14.981 8.670 ( 3.703 -0.443 -5.939) 7.013 8.882 ( 5.790 2.262 0.661) 6.251 9.149 ( 7.237 -0.482 6.374) 9.656 9.557 ( 3.283 5.074 -5.034) 7.866 9.802 ( -4.463 1.162 1.111) 4.744 10.060 ( -2.192 -2.324 -6.146) 6.927 10.279 ( -2.939 -0.526 2.938) 4.189 10.424 ( -1.004 -2.050 0.021) 2.282 10.869 ( 2.845 0.190 6.499) 7.097 11.242 ( -5.739 -7.518 0.030) 9.458 11.365 ( -1.562 -1.574 4.358) 4.890 11.588 ( 0.471 -0.154 -5.801) 5.822 11.763 ( 1.602 4.014 -3.155) 5.351 12.093 ( 1.878 10.129 10.650) 14.817 12.140 ( -1.763 -6.228 -6.884) 9.449 12.407 ( -1.195 3.500 -0.035) 3.699 13.713 ( 0.434 5.649 0.260) 5.671 13.916 ( 1.088 -6.969 -2.986) 7.659 14.125 ( -0.748 -13.099 5.608) 14.269 14.485 ( 1.105 1.960 -0.908) 2.426 14.564 ( 1.911 1.958 2.391) 3.634 14.953 ( -0.025 -4.647 -7.657) 8.957 16.671 ( 0.207 -0.872 -0.201) 0.919 16.703 ( -0.418 -1.353 -1.053) 1.765 18.812 ( 0.115 -0.431 2.247) 2.291 19.144 ( 0.599 2.333 -5.918) 6.389 19.807 ( 0.532 -3.773 3.535) 5.197 20.024 ( -0.406 1.884 -1.879) 2.692 20.197 ( -1.826 0.860 -1.509) 2.521 20.265 ( 0.519 3.599 -1.117) 3.804 20.652 ( -1.002 8.817 2.959) 9.354 20.747 ( -0.574 2.330 2.831) 3.711 20.809 ( 2.085 7.364 2.017) 7.915 20.922 ( 5.031 3.575 -0.921) 6.240 22.121 ( -0.157 1.922 1.191) 2.267 22.307 ( 1.102 2.500 -3.764) 4.651 22.501 ( -0.654 2.731 3.474) 4.467 22.597 ( 0.277 2.532 -1.154) 2.796 22.713 ( -1.504 -1.651 0.537) 2.297 22.812 ( -1.897 -2.227 -2.536) 3.871 23.672 ( 0.154 -15.892 1.181) 15.936 23.772 ( 2.271 -3.698 -1.947) 4.756 24.092 ( 1.137 -1.298 12.454) 12.573 24.188 ( -3.087 9.850 13.853) 17.275 24.681 ( 0.681 13.074 0.473) 13.100 25.331 ( 2.549 10.804 -6.438) 12.832 25.648 ( 0.401 6.980 2.057) 7.288 25.767 ( -2.894 0.300 0.948) 3.060 26.938 ( -0.872 -5.984 8.999) 10.842 28.325 ( -5.280 -23.888 -25.534) 35.362 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -31.312 12.904 0.716) 33.875 1.706 ( -33.270 -0.547 16.890) 37.316 2.176 ( -1.898 8.218 -14.882) 17.106 2.843 ( -11.357 1.365 -16.381) 19.979 3.007 ( -22.276 17.158 15.982) 32.342 3.304 ( 7.295 5.558 3.650) 9.871 3.400 ( 7.656 5.140 1.494) 9.342 3.693 ( 1.135 1.337 4.769) 5.081 3.823 ( -3.367 -4.520 2.252) 6.069 3.903 ( 0.884 0.391 9.601) 9.649 4.021 ( -16.936 -1.574 -2.570) 17.202 4.151 ( -8.043 -0.969 2.138) 8.378 4.252 ( 2.000 -5.372 1.525) 5.932 4.437 ( 5.505 -2.707 0.314) 6.142 4.516 ( -11.578 1.964 1.782) 11.878 4.713 ( 0.177 -3.511 -0.934) 3.638 4.820 ( 1.811 -8.941 -4.633) 10.232 4.880 ( 1.648 -2.277 -1.311) 3.101 5.058 ( -4.526 1.944 -2.739) 5.636 5.095 ( -2.639 -3.049 -5.769) 7.039 5.257 ( -16.554 4.208 -6.215) 18.176 5.333 ( -8.836 -5.421 6.010) 11.983 5.537 ( 5.071 -0.671 -0.598) 5.150 5.618 ( -0.960 -4.934 5.769) 7.652 5.739 ( -1.830 -3.334 -1.435) 4.065 5.802 ( -9.449 -0.672 3.361) 10.052 5.966 ( 0.248 -7.566 1.046) 7.642 6.057 ( -3.146 -5.494 -4.601) 7.826 6.189 ( -7.264 -1.081 1.438) 7.483 6.198 ( -6.234 5.295 -2.117) 8.448 6.240 ( -3.655 -0.156 -7.911) 8.715 6.658 ( 1.683 -1.248 -2.640) 3.370 6.779 ( -9.042 0.498 -4.602) 10.158 6.901 ( 1.692 0.644 -0.584) 1.902 7.071 ( 8.177 -3.216 10.880) 13.985 7.139 ( -0.423 0.018 11.217) 11.225 7.285 ( 7.000 1.170 -2.609) 7.562 7.430 ( 19.568 3.221 3.890) 20.209 7.522 ( 12.675 4.874 -4.727) 14.379 7.657 ( 4.875 -1.236 0.858) 5.102 7.709 ( 11.176 2.745 1.844) 11.655 7.848 ( 14.336 6.180 -7.593) 17.359 7.976 ( 11.389 -2.670 -4.233) 12.441 8.098 ( 8.800 2.763 4.124) 10.104 8.296 ( 5.333 -0.633 -0.893) 5.444 8.386 ( 3.817 12.315 -0.758) 12.915 8.732 ( 2.369 3.229 -5.863) 7.101 9.037 ( 6.737 2.331 2.233) 7.471 9.312 ( 8.085 -4.483 6.809) 11.482 9.639 ( 2.970 2.625 -4.221) 5.790 9.729 ( 0.147 4.275 7.083) 8.274 10.024 ( -1.373 -0.712 -0.881) 1.780 10.180 ( -5.181 -4.068 -2.948) 7.217 10.370 ( -3.856 -2.412 -2.534) 5.206 10.879 ( -3.370 -2.684 6.384) 7.702 11.073 ( -10.655 -5.060 -5.938) 13.206 11.331 ( -1.978 -3.177 6.078) 7.138 11.582 ( -0.458 -2.173 -1.375) 2.612 11.777 ( -1.446 6.405 0.743) 6.608 12.067 ( -4.275 -3.513 -1.676) 5.781 12.140 ( 1.898 10.969 2.344) 11.376 12.413 ( 2.534 3.109 -2.440) 4.695 13.778 ( 5.898 6.115 0.320) 8.502 13.962 ( 3.778 -8.145 -0.085) 8.979 14.122 ( 0.361 -13.917 4.459) 14.619 14.519 ( 2.232 2.581 -0.987) 3.552 14.615 ( 3.171 3.087 2.830) 5.253 14.949 ( -0.249 -3.727 -6.896) 7.842 16.673 ( 0.005 -1.056 -0.034) 1.056 16.697 ( -0.138 -1.255 -1.234) 1.765 18.817 ( 0.321 -1.095 2.377) 2.636 19.157 ( 0.693 2.449 -6.033) 6.548 19.816 ( 0.383 -2.792 4.214) 5.070 20.016 ( -0.414 1.920 -1.942) 2.762 20.172 ( -0.593 0.835 -0.834) 1.321 20.275 ( 0.550 1.819 -1.990) 2.752 20.652 ( 1.013 8.126 3.187) 8.787 20.730 ( -1.128 2.503 2.622) 3.796 20.835 ( 0.921 7.863 2.919) 8.437 21.083 ( 10.407 6.482 -1.418) 12.342 22.124 ( 0.470 1.961 0.527) 2.085 22.303 ( -1.919 0.675 -5.004) 5.402 22.482 ( -1.154 1.282 4.241) 4.578 22.594 ( -0.571 2.851 -1.599) 3.318 22.660 ( -3.536 -0.397 0.868) 3.663 22.763 ( -2.742 -2.453 -2.442) 4.416 23.675 ( 0.051 -16.205 1.274) 16.255 23.817 ( 1.962 -1.531 -5.066) 5.644 24.107 ( -0.788 -0.487 7.979) 8.032 24.170 ( 2.034 3.627 19.251) 19.695 24.729 ( 6.007 19.134 4.354) 20.522 25.398 ( 3.940 7.326 -3.014) 8.848 25.654 ( 0.554 9.939 2.070) 10.167 25.716 ( -2.361 0.615 0.137) 2.443 26.873 ( -5.543 -5.853 8.582) 11.775 28.124 ( -16.221 -26.411 -30.699) 43.625 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -17.845 17.697 16.453) 30.039 1.142 ( -20.916 12.657 22.653) 33.329 2.183 ( -6.976 12.261 0.339) 14.110 2.290 ( -28.370 28.203 14.336) 42.494 2.706 ( -1.683 5.576 -18.731) 19.616 3.341 ( -8.420 4.767 1.026) 9.730 3.539 ( -4.779 2.791 5.308) 7.669 3.603 ( -11.317 6.401 3.687) 13.514 3.633 ( 1.787 0.143 0.190) 1.803 3.744 ( -2.259 2.548 3.187) 4.664 4.104 ( -1.943 -3.581 -2.060) 4.566 4.114 ( 5.794 -5.336 4.334) 8.991 4.278 ( -3.613 1.922 1.798) 4.470 4.331 ( 3.513 -4.306 -2.484) 6.087 4.521 ( 2.147 -6.283 4.443) 7.989 4.628 ( -6.011 -4.242 2.415) 7.744 4.789 ( -5.604 -2.115 -15.015) 16.165 4.861 ( -5.082 -2.612 -2.502) 6.238 5.031 ( -0.596 0.474 -4.225) 4.293 5.098 ( 5.391 -5.175 3.076) 8.081 5.131 ( 1.100 -6.575 -0.235) 6.671 5.230 ( 0.903 -6.004 -2.347) 6.509 5.564 ( -4.377 -5.177 -2.817) 7.341 5.604 ( -2.555 -2.902 9.506) 10.262 5.662 ( 0.918 -0.053 3.846) 3.954 5.731 ( -0.577 -3.518 -0.882) 3.672 5.897 ( -3.554 -11.616 -6.505) 13.779 6.011 ( -2.133 -2.938 5.637) 6.705 6.065 ( -7.284 -2.421 -5.204) 9.273 6.105 ( -0.890 1.182 -2.400) 2.820 6.241 ( 3.799 6.043 -9.374) 11.783 6.557 ( -8.480 0.231 0.126) 8.484 6.702 ( 1.724 -1.730 -6.370) 6.823 6.875 ( -2.927 3.028 -0.561) 4.248 7.115 ( 0.042 -0.758 9.219) 9.250 7.158 ( -1.496 1.307 7.051) 7.326 7.486 ( 13.555 6.581 8.720) 17.410 7.721 ( 7.023 0.757 3.486) 7.877 7.733 ( 6.180 2.096 -1.287) 6.651 7.836 ( 14.615 2.119 -1.872) 14.886 7.965 ( 12.554 1.538 -1.198) 12.705 8.145 ( 11.707 6.244 -5.985) 14.556 8.167 ( 6.088 -0.499 0.876) 6.170 8.252 ( 5.875 1.729 1.161) 6.233 8.399 ( 4.852 -2.519 -0.201) 5.470 8.497 ( 6.735 7.329 -0.241) 9.957 8.750 ( -1.464 6.067 -8.160) 10.273 9.058 ( -3.523 3.229 4.147) 6.328 9.445 ( 4.942 -5.786 3.206) 8.257 9.630 ( -0.754 0.512 2.937) 3.075 9.833 ( 4.768 6.346 8.609) 11.710 10.051 ( 6.016 -8.261 3.204) 10.710 10.129 ( 0.166 -4.524 -7.585) 8.833 10.295 ( -3.294 -1.709 -8.227) 9.025 10.721 ( -11.260 -4.263 5.312) 13.160 10.856 ( -10.035 -1.362 -7.137) 12.390 11.296 ( -1.464 -2.665 5.713) 6.472 11.570 ( -0.981 -2.003 2.376) 3.258 11.704 ( -5.157 3.687 5.017) 8.084 11.991 ( -2.628 2.113 -0.909) 3.492 12.171 ( 1.197 5.159 -1.904) 5.628 12.497 ( 4.206 7.577 -9.635) 12.959 13.918 ( 7.176 4.546 1.997) 8.726 14.067 ( 5.776 -12.582 5.137) 14.767 14.145 ( 2.708 -10.719 2.690) 11.378 14.565 ( 2.087 2.738 0.109) 3.444 14.693 ( 4.878 4.896 1.085) 6.996 14.949 ( 0.544 -2.282 -5.711) 6.174 16.671 ( -0.200 -1.123 -0.066) 1.143 16.698 ( 0.279 -1.364 -1.168) 1.818 18.820 ( -0.314 -1.951 2.628) 3.288 19.166 ( 0.226 2.798 -6.405) 6.993 19.821 ( -0.119 -3.758 4.938) 6.207 20.008 ( -0.295 2.626 -1.541) 3.059 20.180 ( 1.682 2.264 -1.195) 3.063 20.283 ( -0.054 -0.222 -2.847) 2.856 20.692 ( 2.382 2.603 5.553) 6.579 20.710 ( -0.345 5.355 2.536) 5.936 20.853 ( 0.934 9.157 4.093) 10.074 21.311 ( 12.389 11.441 -5.628) 17.779 22.134 ( 0.186 1.300 -0.876) 1.579 22.202 ( -8.896 -1.180 -6.517) 11.091 22.462 ( -0.821 -0.361 5.890) 5.958 22.570 ( -1.984 2.811 -2.098) 4.030 22.598 ( -1.894 2.621 0.703) 3.309 22.713 ( -1.925 -2.312 -1.734) 3.472 23.673 ( -0.312 -16.597 1.829) 16.701 23.837 ( -0.104 -1.701 -6.201) 6.431 24.083 ( -1.219 1.181 6.003) 6.238 24.230 ( 2.471 -5.277 14.098) 15.254 25.043 ( 27.774 21.316 10.540) 36.563 25.483 ( 6.493 5.888 2.845) 9.215 25.655 ( -1.329 2.980 -1.235) 3.489 25.716 ( 4.371 11.547 5.844) 13.660 26.737 ( -7.912 -5.981 4.694) 10.973 27.579 ( -41.332 -25.168 -32.244) 58.150 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 7.312 26.608 17.041) 32.432 1.691 ( 13.576 33.848 11.896) 38.360 2.356 ( 3.475 3.317 -11.614) 12.568 2.564 ( -10.716 44.778 21.971) 51.016 2.835 ( 2.704 4.627 -0.450) 5.378 3.407 ( -7.205 9.798 -4.516) 12.973 3.481 ( -5.100 8.660 2.968) 10.479 3.637 ( 3.244 6.790 -1.302) 7.637 3.714 ( 0.931 2.629 1.248) 3.055 3.862 ( 7.496 -9.278 1.449) 12.016 4.030 ( 2.558 -1.450 -3.599) 4.648 4.128 ( -3.648 -8.389 -3.666) 9.855 4.205 ( -2.467 2.449 0.988) 3.614 4.245 ( 4.376 5.161 5.061) 8.450 4.398 ( -4.495 0.367 3.848) 5.928 4.496 ( -5.357 -8.146 1.131) 9.815 4.557 ( 0.903 -6.607 -9.061) 11.251 4.830 ( 0.547 -1.721 -2.503) 3.086 4.858 ( -2.959 -4.456 3.821) 6.574 4.998 ( -2.764 -1.164 -12.015) 12.384 5.043 ( 6.373 -13.929 2.891) 15.588 5.218 ( -2.114 -16.266 -1.221) 16.448 5.331 ( -0.567 -9.441 -9.544) 13.437 5.435 ( 4.848 -6.749 -2.698) 8.737 5.522 ( -3.777 -1.918 2.885) 5.125 5.599 ( -0.545 -4.147 2.858) 5.066 5.760 ( -1.662 -0.096 0.684) 1.800 5.899 ( -0.681 -3.380 0.938) 3.573 5.935 ( -0.177 0.450 -1.212) 1.305 6.143 ( 1.544 0.588 -3.232) 3.629 6.374 ( 3.962 -1.656 -8.505) 9.528 6.511 ( -1.642 0.460 -1.260) 2.120 6.597 ( -1.559 -6.561 -4.086) 7.885 6.858 ( -1.222 -0.786 -0.426) 1.514 7.107 ( 0.002 0.655 4.771) 4.816 7.171 ( -1.346 2.336 2.563) 3.719 7.752 ( 1.882 -1.037 5.642) 6.037 7.873 ( 0.451 1.913 -0.150) 1.971 7.921 ( 5.277 10.502 8.438) 14.469 8.031 ( 1.193 0.785 4.117) 4.357 8.187 ( 0.573 3.924 -0.618) 4.014 8.235 ( -4.123 -1.467 -3.775) 5.780 8.317 ( -0.291 4.111 -0.652) 4.173 8.386 ( -1.761 6.144 1.441) 6.552 8.445 ( 2.275 1.042 0.636) 2.582 8.694 ( 1.821 1.450 -8.441) 8.756 8.833 ( 1.130 7.712 4.167) 8.838 9.076 ( -2.547 2.824 2.385) 4.489 9.440 ( 5.353 -3.995 2.057) 6.989 9.613 ( -4.733 4.433 -3.467) 7.353 9.803 ( -3.326 -5.373 1.084) 6.411 9.975 ( -8.397 0.052 2.137) 8.665 10.123 ( 4.988 -1.480 -0.003) 5.203 10.170 ( 5.871 -6.325 -4.066) 9.540 10.556 ( -6.966 2.514 -3.713) 8.284 10.831 ( 8.787 -3.467 -4.278) 10.370 11.233 ( -0.857 -2.161 4.865) 5.392 11.466 ( -1.821 -2.875 12.058) 12.529 11.715 ( -1.513 4.323 -3.801) 5.952 12.049 ( 0.473 0.217 -2.588) 2.640 12.152 ( -0.338 -0.232 5.032) 5.049 12.556 ( -1.245 -4.731 -7.706) 9.128 13.812 ( -0.393 -12.194 2.407) 12.435 13.984 ( 1.557 -8.204 -3.800) 9.175 14.207 ( 4.157 3.774 6.935) 8.923 14.620 ( -1.465 2.411 -1.276) 3.097 14.789 ( -1.148 -0.378 -1.229) 1.724 14.924 ( -0.194 -1.171 -3.437) 3.636 16.661 ( -0.050 0.318 -1.204) 1.246 16.678 ( 0.336 -0.968 -0.777) 1.286 18.847 ( 0.056 5.510 2.831) 6.196 19.258 ( 0.056 6.232 -8.310) 10.387 19.780 ( -1.218 2.257 4.634) 5.296 20.065 ( -0.367 2.573 1.038) 2.799 20.202 ( 1.609 -3.835 -2.963) 5.106 20.309 ( 0.746 1.516 -3.106) 3.536 20.688 ( -0.153 -0.457 5.064) 5.086 20.821 ( 0.015 2.412 3.533) 4.278 21.090 ( 0.001 11.782 4.483) 12.606 21.658 ( -4.698 5.490 -14.896) 16.556 22.056 ( 1.113 2.700 0.679) 2.999 22.148 ( -1.056 1.603 -1.727) 2.582 22.434 ( 0.424 -0.855 6.247) 6.320 22.619 ( -0.179 2.301 0.020) 2.308 22.646 ( 1.252 -2.747 -1.216) 3.255 22.689 ( 0.536 6.860 -1.402) 7.022 23.307 ( -0.062 -16.256 6.527) 17.518 23.733 ( -4.136 -4.174 -5.785) 8.246 24.075 ( -0.002 1.871 3.608) 4.064 24.251 ( 1.445 1.473 5.503) 5.877 25.375 ( 0.784 1.749 1.231) 2.278 25.622 ( -1.536 0.789 -3.294) 3.719 25.937 ( 0.253 3.410 -1.312) 3.663 26.060 ( -6.703 9.650 -1.098) 11.801 26.489 ( 13.770 -8.320 6.649) 17.408 26.847 ( -2.162 -0.089 -3.521) 4.133 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 15.936 23.375 17.356) 33.190 1.816 ( 5.440 30.467 12.608) 33.418 2.459 ( 7.215 -1.312 -9.047) 11.646 2.811 ( 21.002 29.600 7.227) 37.007 2.892 ( 10.934 15.513 -1.934) 19.078 3.326 ( -0.651 8.747 3.821) 9.568 3.434 ( 0.031 3.818 2.424) 4.523 3.618 ( -1.873 0.547 -3.362) 3.887 3.811 ( -1.354 -2.133 3.784) 4.550 3.886 ( -0.292 -0.219 3.855) 3.872 3.931 ( -8.810 -1.176 -1.364) 8.992 4.201 ( -4.055 -5.828 6.236) 9.450 4.262 ( 6.204 2.353 -8.286) 10.615 4.299 ( 8.208 -1.882 -1.017) 8.482 4.386 ( 5.543 1.914 -2.331) 6.310 4.487 ( 9.961 0.295 0.779) 9.996 4.633 ( 2.352 -9.528 2.406) 10.104 4.786 ( -2.593 -1.115 -0.363) 2.846 4.856 ( 6.343 -1.138 -3.727) 7.445 4.975 ( 0.569 -5.237 -8.433) 9.943 5.116 ( 0.536 -16.632 7.580) 18.286 5.181 ( -0.733 -10.596 -5.458) 11.942 5.307 ( -4.666 -9.380 -8.825) 13.698 5.411 ( -0.528 -3.444 2.606) 4.351 5.548 ( 5.811 -2.046 -3.644) 7.158 5.676 ( -1.231 -3.475 -1.821) 4.112 5.775 ( 10.410 3.580 2.053) 11.199 5.846 ( -3.003 -0.263 -2.379) 3.840 6.054 ( 7.310 -6.899 0.963) 10.098 6.200 ( 3.758 0.327 -1.066) 3.920 6.410 ( 0.097 -1.760 -1.296) 2.188 6.500 ( -0.853 -2.435 -13.841) 14.080 6.592 ( 3.623 -2.753 3.453) 5.712 6.867 ( 2.025 -0.463 1.176) 2.387 7.082 ( -1.681 1.407 7.278) 7.601 7.170 ( 0.188 3.017 1.678) 3.457 7.735 ( -7.536 1.921 4.196) 8.837 7.788 ( -6.885 -0.652 3.088) 7.573 7.824 ( -12.427 4.437 3.952) 13.774 7.984 ( -7.036 3.256 6.194) 9.924 8.037 ( -9.631 -0.586 -3.592) 10.295 8.099 ( -11.799 1.384 0.804) 11.907 8.156 ( -10.778 7.649 -3.941) 13.791 8.332 ( -2.734 1.740 0.148) 3.244 8.421 ( -6.800 3.028 -2.822) 7.961 8.686 ( -4.087 4.463 -3.025) 6.765 8.889 ( -0.362 1.323 0.870) 1.624 9.071 ( 3.857 8.609 0.260) 9.437 9.468 ( -5.589 2.713 7.929) 10.074 9.549 ( 0.061 -0.074 -5.133) 5.134 9.763 ( -2.220 -2.607 -0.227) 3.432 9.886 ( 3.851 0.556 1.125) 4.051 10.175 ( 1.963 -4.158 -2.418) 5.196 10.366 ( 7.664 -2.572 -6.277) 10.235 10.427 ( -1.763 0.787 2.775) 3.381 11.044 ( 9.892 -7.404 -1.255) 12.420 11.230 ( 1.005 -3.129 0.799) 3.382 11.451 ( 0.128 -1.077 12.735) 12.781 11.726 ( 2.081 3.238 -5.707) 6.884 12.051 ( -0.137 -2.758 -3.525) 4.477 12.161 ( 1.107 5.129 5.219) 7.401 12.536 ( -0.373 -1.878 -5.061) 5.411 13.794 ( -1.530 -11.652 1.080) 11.802 13.951 ( -4.507 -8.520 -0.454) 9.649 14.227 ( -2.277 3.468 7.862) 8.889 14.550 ( -4.722 2.210 -4.959) 7.195 14.712 ( -4.807 1.250 0.544) 4.997 14.901 ( -1.704 -1.396 -3.369) 4.025 16.658 ( -0.182 0.315 -1.185) 1.240 16.685 ( 0.289 -1.076 -0.545) 1.240 18.853 ( 0.372 5.483 2.674) 6.112 19.252 ( -0.556 6.350 -8.351) 10.505 19.762 ( -0.547 2.336 3.967) 4.636 20.065 ( 0.280 2.475 1.109) 2.726 20.220 ( 0.390 -3.533 -2.118) 4.137 20.323 ( 0.488 1.163 -2.942) 3.201 20.688 ( 0.136 -0.704 4.709) 4.763 20.819 ( -0.126 2.596 3.147) 4.082 21.066 ( -2.252 12.086 4.977) 13.263 21.396 ( -15.479 6.330 -9.264) 19.117 22.126 ( 0.999 1.708 -1.922) 2.758 22.198 ( 6.314 4.334 -2.572) 8.079 22.475 ( 3.393 -1.285 4.002) 5.402 22.617 ( 0.330 0.350 0.463) 0.668 22.668 ( 0.483 3.887 -1.461) 4.180 22.730 ( 3.242 1.947 -0.321) 3.796 23.316 ( 0.734 -15.931 6.151) 17.093 23.658 ( -2.860 -3.890 -4.847) 6.841 24.076 ( 0.118 1.989 3.170) 3.744 24.292 ( 2.363 0.554 5.003) 5.561 25.342 ( -5.555 6.158 3.316) 8.932 25.538 ( -7.012 6.617 -3.371) 10.213 25.749 ( -4.190 7.133 3.071) 8.824 26.031 ( -1.175 10.389 1.232) 10.528 26.615 ( 2.027 -4.156 2.065) 5.064 27.234 ( 26.959 -23.415 -9.059) 36.839 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 11.864 19.651 11.618) 25.727 2.263 ( 24.174 18.093 8.566) 31.386 2.587 ( 4.528 4.637 -8.361) 10.578 2.926 ( 7.134 4.040 -13.184) 15.525 3.250 ( -1.275 6.144 12.784) 14.241 3.336 ( -2.691 10.426 0.999) 10.814 3.403 ( -4.862 1.142 -5.630) 7.526 3.650 ( -9.318 1.952 2.214) 9.774 3.726 ( 0.654 -4.757 6.111) 7.772 3.787 ( 13.540 7.637 -0.543) 15.555 3.915 ( 0.723 -2.753 -1.946) 3.448 4.067 ( -3.419 0.801 10.300) 10.882 4.380 ( 2.116 -0.163 -8.151) 8.423 4.428 ( 5.630 -4.580 -3.240) 7.948 4.521 ( 5.300 -3.881 4.772) 8.119 4.666 ( -0.605 -3.457 6.990) 7.822 4.734 ( 10.282 -4.446 -0.813) 11.231 4.907 ( 14.289 7.407 3.694) 16.513 5.001 ( 3.365 -4.395 -0.068) 5.536 5.081 ( 10.863 -11.412 -3.984) 16.252 5.105 ( -2.009 -1.646 -5.644) 6.213 5.190 ( 9.890 -6.713 -6.918) 13.811 5.299 ( 6.093 -4.807 3.725) 8.609 5.486 ( 7.290 -2.977 -3.784) 8.737 5.645 ( 3.276 -3.594 -2.763) 5.593 5.692 ( 3.988 -5.266 -4.688) 8.100 5.817 ( 1.205 -2.108 -0.110) 2.431 5.985 ( 7.350 2.663 0.617) 7.841 6.156 ( 3.275 -4.325 2.419) 5.940 6.205 ( -4.717 -3.866 -3.638) 7.102 6.446 ( 3.261 -0.174 3.941) 5.118 6.477 ( 1.083 -3.639 -6.970) 7.937 6.718 ( 6.186 -0.622 -1.701) 6.446 6.934 ( 3.835 1.644 1.239) 4.352 7.033 ( -4.622 1.619 4.426) 6.602 7.161 ( -1.072 2.559 4.982) 5.702 7.388 ( -20.756 1.115 0.174) 20.787 7.541 ( -13.348 0.182 2.653) 13.610 7.654 ( -13.164 -2.930 5.632) 14.615 7.765 ( -13.422 6.003 -0.830) 14.726 7.839 ( -8.687 0.546 0.523) 8.720 7.886 ( -5.051 0.429 -0.884) 5.146 8.040 ( -3.585 7.952 -4.295) 9.723 8.150 ( -15.850 2.450 0.125) 16.039 8.278 ( -4.897 1.721 -2.527) 5.773 8.574 ( -6.089 2.250 -0.639) 6.523 8.816 ( -4.423 2.168 -4.377) 6.590 9.107 ( -2.807 14.696 0.877) 14.987 9.300 ( -9.267 5.479 6.189) 12.418 9.576 ( 2.106 2.922 -4.663) 5.892 9.789 ( 5.418 0.718 1.718) 5.729 10.016 ( 4.445 -2.827 1.127) 5.386 10.212 ( 2.894 -2.392 -0.771) 3.833 10.340 ( -0.141 3.777 -3.513) 5.161 10.610 ( 10.095 -5.756 2.096) 11.808 11.148 ( 1.147 -7.282 7.670) 10.639 11.307 ( 6.074 -5.227 -7.492) 10.970 11.457 ( -0.114 -1.898 8.867) 9.069 11.767 ( 1.662 1.724 -6.598) 7.019 12.042 ( -0.816 -5.054 -5.065) 7.202 12.201 ( 2.869 10.135 5.173) 11.735 12.534 ( -0.228 0.268 0.251) 0.432 13.753 ( -2.393 -10.450 0.089) 10.721 13.835 ( -6.129 -9.052 -0.137) 10.932 14.146 ( -5.026 3.435 7.870) 9.949 14.481 ( -1.851 0.873 -6.674) 6.981 14.633 ( -3.178 1.798 2.499) 4.425 14.867 ( -1.376 -3.155 -3.854) 5.167 16.655 ( -0.010 0.201 -0.926) 0.947 16.688 ( -0.007 -1.035 -0.503) 1.151 18.857 ( 0.019 5.284 2.420) 5.812 19.236 ( -0.833 6.186 -8.115) 10.238 19.761 ( 0.309 2.178 3.619) 4.235 20.073 ( 0.458 2.365 1.091) 2.644 20.221 ( -0.292 -3.177 -2.356) 3.966 20.327 ( 0.006 1.500 -2.662) 3.056 20.694 ( 0.357 -0.935 3.979) 4.103 20.824 ( 0.647 2.973 3.041) 4.302 21.016 ( -2.524 11.829 4.058) 12.758 21.138 ( -10.002 6.416 -5.143) 12.948 22.144 ( 0.821 1.299 0.365) 1.579 22.300 ( 4.073 5.503 -4.115) 7.988 22.545 ( 3.199 0.518 1.871) 3.742 22.635 ( 1.288 -0.946 0.735) 1.759 22.666 ( -0.651 4.022 -0.641) 4.124 22.790 ( 2.326 0.801 -0.403) 2.493 23.328 ( 0.318 -15.985 5.291) 16.841 23.630 ( 0.117 -3.392 -3.917) 5.183 24.080 ( 0.144 1.701 3.421) 3.823 24.335 ( 1.617 0.738 6.081) 6.336 25.173 ( -8.552 17.798 6.053) 20.653 25.477 ( -0.243 6.251 -2.512) 6.741 25.741 ( 1.005 4.904 0.939) 5.093 25.983 ( -3.186 9.609 0.325) 10.129 26.682 ( 4.270 -6.113 3.271) 8.142 27.634 ( 13.317 -31.242 -13.798) 36.658 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 15.008 2.103 2.851) 15.421 2.572 ( 1.743 11.846 -12.936) 17.627 2.722 ( 6.057 15.777 6.834) 18.230 2.986 ( -16.234 2.589 13.200) 21.082 3.062 ( -0.381 7.673 -3.550) 8.463 3.146 ( -0.376 6.612 -3.559) 7.518 3.379 ( -4.250 -1.757 -3.728) 5.920 3.528 ( 1.213 0.348 -4.366) 4.545 3.744 ( 3.648 -8.267 5.613) 10.637 3.885 ( -1.183 -6.731 0.622) 6.863 3.939 ( 1.373 3.512 -3.020) 4.831 4.160 ( 3.301 -3.528 -2.512) 5.445 4.413 ( -4.323 -9.447 2.563) 10.700 4.455 ( 2.275 -5.763 -0.382) 6.207 4.625 ( -3.245 -1.411 8.838) 9.520 4.703 ( 8.935 9.833 0.450) 13.294 4.841 ( 4.301 -4.994 8.245) 10.556 4.973 ( -4.617 -3.601 -11.906) 13.268 5.064 ( 5.587 0.964 2.647) 6.257 5.237 ( 7.880 -4.498 3.944) 9.893 5.334 ( 9.804 -0.271 1.190) 9.879 5.446 ( 11.976 -1.507 -0.607) 12.086 5.528 ( 14.222 -0.252 -6.012) 15.443 5.647 ( 3.540 -7.086 -4.410) 9.066 5.715 ( 6.109 1.382 -6.657) 9.141 5.767 ( 1.470 1.614 3.235) 3.903 5.912 ( -4.444 -5.593 2.351) 7.521 5.924 ( 3.123 -8.168 -1.303) 8.841 6.110 ( -3.976 -1.475 -2.987) 5.187 6.234 ( 0.072 -3.983 3.781) 5.493 6.451 ( 1.499 0.254 4.115) 4.387 6.552 ( 2.861 1.594 1.167) 3.477 6.750 ( 0.236 -4.669 -0.274) 4.683 6.895 ( -4.752 3.049 -2.969) 6.379 7.050 ( 2.464 4.211 0.753) 4.937 7.072 ( -3.275 2.710 0.760) 4.318 7.141 ( -3.959 -4.133 -0.667) 5.762 7.206 ( -20.902 1.793 1.913) 21.066 7.411 ( -6.008 -1.486 4.936) 7.916 7.632 ( -4.578 5.061 -1.016) 6.900 7.735 ( -0.819 2.924 -5.127) 5.959 7.799 ( -5.593 0.090 -2.043) 5.955 7.864 ( -7.165 -0.187 2.335) 7.538 8.002 ( -1.151 2.300 0.578) 2.636 8.167 ( -4.868 5.809 1.552) 7.736 8.533 ( 2.558 1.726 -10.292) 10.745 8.746 ( -1.704 8.943 1.832) 9.287 9.011 ( -5.477 11.543 1.496) 12.864 9.168 ( -2.992 6.732 4.814) 8.800 9.620 ( 2.114 5.138 -6.693) 8.698 9.878 ( 1.399 2.132 2.464) 3.546 10.014 ( -1.846 -4.462 -2.027) 5.237 10.298 ( 3.471 1.025 1.177) 3.806 10.379 ( 2.557 0.827 -1.321) 2.995 10.773 ( 6.383 -2.531 5.163) 8.591 11.141 ( -1.622 -7.282 5.609) 9.334 11.385 ( -0.172 -1.144 3.108) 3.317 11.468 ( 2.567 -8.609 -3.573) 9.668 11.792 ( 1.574 2.365 -6.138) 6.764 12.020 ( -1.234 -5.500 -6.849) 8.870 12.262 ( 2.700 10.261 6.356) 12.368 12.515 ( -1.758 1.147 2.952) 3.623 13.714 ( -1.385 -11.562 -0.686) 11.664 13.745 ( -2.461 -8.146 -2.130) 8.772 14.053 ( -4.292 3.214 6.960) 8.786 14.469 ( 0.498 -0.124 -5.287) 5.312 14.592 ( -0.879 1.562 3.200) 3.668 14.851 ( -0.234 -4.629 -4.342) 6.351 16.657 ( 0.172 0.069 -0.673) 0.698 16.684 ( -0.281 -0.933 -0.663) 1.178 18.855 ( -0.181 5.198 2.221) 5.655 19.222 ( -0.381 5.865 -7.815) 9.778 19.774 ( 0.969 2.146 3.970) 4.616 20.080 ( 0.227 2.607 0.764) 2.726 20.203 ( -1.513 -2.931 -3.354) 4.704 20.325 ( -0.153 1.768 -2.750) 3.273 20.702 ( 0.406 -0.783 3.658) 3.763 20.842 ( 0.716 2.915 3.837) 4.872 20.984 ( -0.178 11.321 2.523) 11.600 21.006 ( -3.269 6.244 -2.633) 7.524 22.157 ( 0.481 1.527 1.510) 2.201 22.362 ( 2.249 5.699 -4.857) 7.818 22.595 ( 1.870 1.716 1.460) 2.928 22.635 ( -1.953 4.036 -0.047) 4.484 22.666 ( 1.096 -2.848 1.343) 3.334 22.811 ( -0.158 0.815 -1.110) 1.386 23.329 ( -0.179 -16.298 4.613) 16.939 23.659 ( 2.707 -2.785 -3.288) 5.088 24.082 ( 0.004 1.405 4.031) 4.269 24.347 ( -0.584 2.218 7.962) 8.286 25.054 ( -3.409 19.936 4.931) 20.818 25.486 ( 0.864 6.553 -2.892) 7.215 25.754 ( -0.131 2.117 0.852) 2.286 25.929 ( -1.736 12.424 -1.364) 12.618 26.756 ( 2.549 -9.008 5.661) 10.940 27.783 ( 2.778 -31.098 -15.712) 34.953 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -17.999 -6.063 2.232) 19.123 2.408 ( -22.893 15.108 0.000) 27.429 2.476 ( -7.598 12.922 -11.180) 18.700 2.922 ( 13.559 14.892 7.792) 21.595 3.108 ( -10.030 3.073 -4.094) 11.261 3.295 ( 8.876 5.232 0.121) 10.305 3.370 ( 13.949 9.250 -1.125) 16.775 3.623 ( 3.935 -13.374 -1.001) 13.977 3.820 ( 1.639 -1.959 2.711) 3.725 3.903 ( 2.194 -6.759 0.676) 7.138 3.963 ( 3.345 -1.266 3.600) 5.075 4.153 ( -2.726 -9.820 -4.683) 11.216 4.413 ( 5.270 -7.754 -0.061) 9.376 4.448 ( -3.763 -2.932 2.258) 5.278 4.511 ( -9.070 5.338 7.119) 12.706 4.700 ( -4.229 5.229 0.181) 6.728 4.868 ( -8.656 0.378 -7.953) 11.761 4.937 ( 2.290 -4.579 0.061) 5.120 5.043 ( -7.979 1.046 7.149) 10.764 5.262 ( -10.079 -0.469 0.717) 10.115 5.298 ( -4.865 -5.383 -2.698) 7.741 5.546 ( -3.594 -7.329 5.722) 9.968 5.602 ( -6.529 2.818 0.380) 7.121 5.657 ( -6.471 0.314 -4.079) 7.656 5.746 ( 2.037 -4.211 -2.832) 5.468 5.807 ( -1.145 -1.587 0.933) 2.168 5.832 ( 1.892 -1.611 -4.244) 4.917 5.979 ( -4.175 -2.499 -0.694) 4.915 6.163 ( 8.806 -3.429 -0.495) 9.463 6.205 ( 1.455 -5.979 1.269) 6.283 6.476 ( -4.738 -3.390 5.650) 8.116 6.597 ( -0.778 1.298 3.771) 4.063 6.742 ( -5.506 -5.512 -1.139) 7.874 6.895 ( 1.703 -1.426 -1.423) 2.638 6.967 ( 15.106 2.013 -0.320) 15.243 7.051 ( -6.336 -0.503 -3.807) 7.409 7.105 ( 7.044 6.586 0.849) 9.681 7.207 ( 8.647 2.323 0.555) 8.971 7.398 ( 5.414 -1.851 4.395) 7.215 7.579 ( 0.676 6.455 -0.252) 6.495 7.666 ( -1.506 2.424 0.767) 2.955 7.771 ( 5.045 0.506 -6.678) 8.385 7.937 ( 7.027 -2.093 -0.969) 7.396 7.966 ( -0.955 4.933 0.454) 5.045 8.178 ( 5.366 4.905 -0.069) 7.270 8.616 ( 4.930 2.937 -9.790) 11.348 8.761 ( 0.314 15.359 2.961) 15.645 8.954 ( 3.341 4.824 3.630) 6.900 9.192 ( 4.308 4.969 4.584) 8.016 9.654 ( 1.636 4.244 -7.690) 8.934 9.841 ( -3.617 2.508 2.730) 5.179 10.006 ( 0.638 -1.959 -2.114) 2.952 10.283 ( -5.348 0.792 1.582) 5.633 10.390 ( -1.739 -1.009 -1.180) 2.332 10.858 ( 1.562 -1.522 7.732) 8.034 11.083 ( -4.566 -7.701 1.524) 9.082 11.342 ( -2.835 -1.472 3.615) 4.824 11.510 ( 0.930 -7.354 -2.261) 7.750 11.852 ( 4.318 3.238 -4.998) 7.356 11.992 ( -1.553 -5.426 -7.886) 9.698 12.287 ( -0.735 6.080 7.361) 9.576 12.484 ( -0.527 3.093 2.286) 3.882 13.703 ( 0.752 -13.669 -1.600) 13.783 13.747 ( 2.240 -5.847 -2.146) 6.619 13.986 ( -2.234 3.551 5.565) 6.969 14.495 ( 2.097 0.118 -3.661) 4.221 14.602 ( 1.868 1.214 3.153) 3.861 14.855 ( 0.601 -4.644 -4.287) 6.349 16.660 ( 0.070 -0.031 -0.501) 0.507 16.679 ( -0.256 -0.795 -0.891) 1.221 18.853 ( -0.088 5.196 2.139) 5.619 19.222 ( 0.483 5.589 -7.658) 9.492 19.796 ( 1.013 2.268 4.649) 5.271 20.082 ( -0.059 3.215 0.051) 3.216 20.169 ( -1.648 -2.739 -3.451) 4.703 20.318 ( -0.482 1.400 -2.770) 3.141 20.705 ( -0.261 -0.300 3.251) 3.275 20.840 ( -0.683 2.940 3.821) 4.869 20.980 ( 0.800 8.390 0.441) 8.439 21.054 ( 6.761 8.597 0.376) 10.944 22.164 ( 0.292 2.019 1.728) 2.674 22.381 ( -0.475 4.688 -5.574) 7.299 22.584 ( -3.092 2.029 2.030) 4.219 22.621 ( 0.702 1.698 1.861) 2.615 22.678 ( -0.004 -1.890 -0.279) 1.911 22.787 ( -2.099 1.326 -1.661) 2.987 23.326 ( -0.168 -16.702 4.245) 17.234 23.725 ( 3.639 -2.724 -3.250) 5.588 24.081 ( -0.180 1.236 4.709) 4.872 24.317 ( -2.324 4.078 8.817) 9.988 25.037 ( 1.621 19.581 3.690) 19.992 25.504 ( 0.954 6.396 -1.983) 6.764 25.735 ( -1.577 -0.316 0.110) 1.612 25.924 ( 1.059 15.865 -1.428) 15.964 26.769 ( -1.459 -10.776 6.523) 12.681 27.755 ( -5.367 -29.928 -16.788) 34.732 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -22.957 12.559 5.203) 26.680 1.925 ( -22.871 20.635 4.319) 31.105 2.393 ( -3.388 12.920 -9.292) 16.271 2.899 ( -8.415 3.431 -7.349) 11.687 3.247 ( 14.282 6.673 4.296) 16.338 3.390 ( 1.509 2.731 -0.350) 3.140 3.585 ( 0.472 8.194 0.135) 8.208 3.661 ( 1.355 -5.210 -0.517) 5.408 3.797 ( -9.499 2.655 3.782) 10.563 3.898 ( 4.792 -0.624 7.572) 8.982 4.034 ( -7.901 0.907 6.032) 9.982 4.123 ( -4.247 -0.651 7.957) 9.043 4.173 ( -1.190 0.971 -4.784) 5.025 4.421 ( -3.890 0.665 0.820) 4.031 4.544 ( -4.613 -0.017 -3.784) 5.966 4.600 ( 4.222 -5.871 -0.519) 7.250 4.695 ( -5.100 -0.843 -1.639) 5.422 4.887 ( -6.059 -9.938 -3.274) 12.091 4.903 ( -6.174 -2.404 4.693) 8.119 5.071 ( -5.063 1.814 -7.675) 9.372 5.217 ( -6.616 -11.177 -3.687) 13.502 5.282 ( -14.729 -1.455 3.063) 15.114 5.461 ( -8.874 -2.799 3.700) 10.014 5.561 ( -3.384 -3.753 1.443) 5.256 5.651 ( -3.048 -6.167 -1.940) 7.147 5.766 ( -6.750 -1.737 -0.317) 6.977 5.865 ( -1.123 -1.956 -1.158) 2.535 5.938 ( -0.404 -4.606 -1.340) 4.814 6.175 ( -4.765 -2.710 -2.903) 6.203 6.190 ( -3.245 -1.600 -0.525) 3.656 6.292 ( -6.678 1.974 -3.400) 7.749 6.566 ( -2.773 -5.197 1.495) 6.077 6.818 ( -10.074 0.205 -5.875) 11.664 6.886 ( 11.076 -0.792 -2.303) 11.341 7.001 ( 6.301 -3.914 7.333) 10.431 7.168 ( -0.824 3.238 11.681) 12.149 7.348 ( 13.309 3.273 -2.647) 13.958 7.480 ( 16.934 3.014 -1.811) 17.295 7.589 ( 12.850 -1.319 1.996) 13.071 7.658 ( 11.031 5.064 1.781) 12.268 7.794 ( 8.718 3.875 0.734) 9.569 7.921 ( 10.485 -0.891 -1.952) 10.702 8.017 ( 9.079 8.472 -3.967) 13.036 8.132 ( 11.155 -0.565 -1.360) 11.252 8.293 ( 4.778 2.094 -1.150) 5.342 8.650 ( -1.051 10.907 -2.885) 11.331 8.801 ( 4.836 4.148 -2.709) 6.923 9.109 ( 7.682 4.820 2.645) 9.447 9.288 ( 4.086 2.200 3.925) 6.078 9.693 ( 2.262 4.196 -3.424) 5.869 9.797 ( 0.773 1.359 3.956) 4.254 10.009 ( -0.887 -0.725 -1.144) 1.619 10.120 ( -9.581 -0.780 0.695) 9.638 10.329 ( -3.562 -1.630 -3.815) 5.468 10.809 ( -6.751 -3.765 7.337) 10.657 10.962 ( -7.221 -6.111 -3.523) 10.095 11.292 ( -2.154 -1.361 3.947) 4.698 11.517 ( -0.066 -4.984 2.260) 5.473 11.884 ( -2.953 3.350 -2.891) 5.320 11.988 ( 2.250 -3.252 -6.183) 7.339 12.240 ( -3.419 0.767 5.771) 6.752 12.511 ( 2.842 3.036 -0.311) 4.171 13.751 ( 3.909 -12.114 -0.178) 12.730 13.808 ( 3.400 -8.190 -1.851) 9.059 13.985 ( 2.603 5.851 4.141) 7.626 14.548 ( 3.202 1.056 -2.659) 4.294 14.661 ( 3.861 1.151 2.695) 4.847 14.873 ( 1.337 -3.317 -3.866) 5.267 16.660 ( -0.023 -0.075 -0.605) 0.610 16.675 ( -0.101 -0.657 -0.951) 1.160 18.852 ( -0.065 5.173 2.257) 5.644 19.236 ( 0.937 5.573 -7.745) 9.587 19.810 ( 0.195 2.275 5.063) 5.554 20.080 ( -0.085 3.499 -0.247) 3.509 20.147 ( -0.283 -2.724 -2.991) 4.056 20.307 ( -0.494 1.026 -2.607) 2.845 20.697 ( -0.421 -0.141 3.268) 3.298 20.826 ( -0.634 3.080 3.505) 4.709 21.018 ( 2.546 9.550 1.501) 9.996 21.241 ( 11.851 7.755 -0.980) 14.197 22.169 ( 0.176 2.198 1.186) 2.504 22.334 ( -4.377 2.490 -6.067) 7.885 22.519 ( -3.386 0.827 4.412) 5.623 22.624 ( -0.382 0.677 1.511) 1.699 22.667 ( -0.886 -0.775 -2.339) 2.618 22.738 ( -2.487 2.813 -1.474) 4.033 23.323 ( -0.298 -16.935 4.513) 17.528 23.786 ( 2.214 -3.488 -4.240) 5.920 24.077 ( -0.190 1.124 5.129) 5.254 24.270 ( -2.239 4.605 8.165) 9.637 25.127 ( 7.669 17.893 3.418) 19.765 25.532 ( 2.539 6.768 0.563) 7.251 25.699 ( -2.023 -0.639 -0.937) 2.319 25.962 ( 2.689 17.067 -0.353) 17.282 26.700 ( -5.571 -11.528 4.984) 13.739 27.556 ( -15.018 -26.885 -16.454) 34.915 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -5.544 26.953 12.742) 30.324 1.588 ( -8.975 29.354 7.791) 31.669 2.337 ( -1.469 9.820 -10.426) 14.398 2.807 ( -1.026 3.545 -2.671) 4.556 3.032 ( -29.542 35.694 19.288) 50.188 3.460 ( 3.508 7.851 -3.710) 9.366 3.563 ( -4.661 -0.670 1.489) 4.939 3.639 ( 6.173 -3.004 1.187) 6.967 3.705 ( -2.467 1.189 -1.759) 3.255 3.822 ( -7.756 5.376 0.725) 9.465 4.003 ( -4.004 -0.663 -2.176) 4.606 4.108 ( 7.344 4.586 7.679) 11.573 4.189 ( 2.043 -8.740 -1.741) 9.143 4.362 ( -10.222 4.340 1.785) 11.248 4.435 ( 1.552 -9.414 -2.065) 9.762 4.549 ( -8.520 2.239 3.597) 9.515 4.747 ( 0.590 -5.898 3.302) 6.785 4.760 ( -4.640 -0.824 -11.935) 12.832 4.862 ( 4.043 -14.719 -2.625) 15.488 4.948 ( -4.554 -8.008 7.835) 12.093 5.084 ( -3.286 0.338 -8.899) 9.493 5.196 ( 2.063 -3.178 -5.296) 6.512 5.358 ( -2.477 -8.945 -2.977) 9.747 5.440 ( -5.219 -14.081 4.906) 15.798 5.602 ( -6.901 -1.760 -2.421) 7.522 5.686 ( -0.076 -9.004 -1.760) 9.175 5.742 ( -4.323 2.496 -0.723) 5.044 5.950 ( -2.375 -2.476 4.294) 5.496 6.045 ( -7.586 0.163 0.237) 7.592 6.136 ( -1.184 1.161 -3.928) 4.264 6.275 ( 4.387 -2.163 -8.802) 10.070 6.543 ( -0.698 -1.923 2.724) 3.407 6.652 ( -5.483 -2.363 -7.708) 9.750 6.907 ( -2.952 -0.466 -0.222) 2.997 7.102 ( -0.044 0.374 3.624) 3.643 7.188 ( 1.290 0.652 7.430) 7.569 7.598 ( 14.906 3.100 1.290) 15.280 7.755 ( 6.401 4.284 6.665) 10.185 7.783 ( 9.045 1.810 0.544) 9.240 7.908 ( 11.306 4.007 1.869) 12.140 8.026 ( 12.554 4.317 -0.485) 13.284 8.142 ( 11.525 -1.225 -0.068) 11.590 8.246 ( 11.146 3.609 -2.613) 12.003 8.335 ( 0.080 -1.319 -3.750) 3.976 8.360 ( 9.080 5.178 1.839) 10.613 8.649 ( 1.539 6.896 -1.415) 7.206 8.869 ( 0.290 5.626 -5.244) 7.696 9.135 ( -3.749 3.864 4.471) 6.998 9.356 ( 3.306 -2.923 1.962) 4.830 9.698 ( -2.779 6.542 -0.413) 7.120 9.877 ( 0.471 -7.415 3.911) 8.397 9.960 ( 2.099 5.927 4.818) 7.922 10.028 ( 1.363 -5.052 -5.786) 7.801 10.247 ( -6.056 -2.956 -6.222) 9.172 10.655 ( -5.895 -2.303 3.786) 7.375 10.820 ( -6.152 -2.944 -5.691) 8.883 11.257 ( -1.542 -1.468 4.713) 5.172 11.503 ( -1.532 -4.207 7.347) 8.603 11.788 ( -5.276 3.578 -2.643) 6.901 12.030 ( 1.564 0.355 -2.807) 3.233 12.179 ( -2.435 -1.402 4.373) 5.198 12.561 ( 1.366 -2.624 -4.965) 5.779 13.808 ( 1.009 -11.857 2.929) 12.255 13.899 ( 6.020 -8.440 -4.400) 11.262 14.087 ( 6.763 5.909 5.221) 10.389 14.608 ( 2.378 2.018 -1.417) 3.426 14.746 ( 4.257 0.586 0.937) 4.398 14.905 ( 1.722 -1.749 -3.509) 4.282 16.660 ( 0.064 0.091 -0.857) 0.864 16.674 ( 0.054 -0.724 -0.958) 1.202 18.849 ( -0.226 5.218 2.575) 5.823 19.252 ( 0.662 5.872 -8.031) 9.970 19.803 ( -0.923 2.129 5.026) 5.536 20.075 ( -0.483 2.926 0.740) 3.057 20.163 ( 1.871 -2.830 -3.523) 4.891 20.302 ( 0.018 1.114 -2.646) 2.871 20.691 ( -0.251 -0.326 4.352) 4.372 20.820 ( -0.063 2.834 3.431) 4.450 21.067 ( 2.085 11.022 2.857) 11.576 21.504 ( 13.890 7.122 -5.753) 16.636 22.162 ( -1.979 1.121 -1.651) 2.810 22.203 ( -7.908 1.492 -3.816) 8.907 22.457 ( -2.648 0.066 6.223) 6.763 22.615 ( -0.091 0.256 0.126) 0.299 22.648 ( -0.898 -1.342 -2.217) 2.743 22.699 ( -1.335 5.761 -1.289) 6.052 23.314 ( -0.587 -16.790 5.563) 17.698 23.795 ( -1.477 -4.193 -5.659) 7.197 24.075 ( -0.083 1.294 4.683) 4.859 24.241 ( -0.597 3.353 6.894) 7.689 25.305 ( 7.413 7.103 1.296) 10.349 25.651 ( 0.687 2.668 -3.704) 4.616 25.680 ( 11.802 7.662 5.097) 14.966 26.029 ( 4.202 16.174 1.873) 16.815 26.550 ( -9.698 -12.434 0.907) 15.795 27.165 ( -22.632 -14.779 -10.482) 28.991 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 5.823 24.708 13.993) 28.986 2.349 ( 7.822 30.228 3.411) 31.410 2.473 ( -1.844 7.785 -6.810) 10.506 2.929 ( 6.431 4.578 9.359) 12.244 3.292 ( -6.315 21.853 8.866) 24.414 3.471 ( -3.481 1.041 1.394) 3.891 3.542 ( 0.380 -8.418 1.495) 8.558 3.698 ( -2.012 6.561 -2.496) 7.302 3.730 ( -0.407 0.217 -1.255) 1.337 3.839 ( 4.300 -3.801 -3.067) 6.507 3.956 ( -3.257 -6.164 -4.820) 8.476 4.019 ( 2.386 6.235 0.835) 6.728 4.152 ( 0.526 -8.503 4.414) 9.595 4.253 ( -0.643 -5.591 -4.800) 7.397 4.378 ( 3.585 0.489 0.488) 3.651 4.473 ( -6.520 0.064 -1.454) 6.681 4.534 ( -0.054 1.179 -0.290) 1.216 4.765 ( -0.568 -12.977 -3.224) 13.383 4.789 ( -1.728 0.521 -1.995) 2.690 4.821 ( 1.239 -5.517 8.582) 10.277 4.901 ( -0.786 0.779 3.811) 3.969 4.944 ( -7.079 -3.539 0.023) 7.914 5.267 ( 2.745 -4.793 -3.361) 6.466 5.337 ( 1.644 2.868 -5.518) 6.432 5.509 ( -2.797 -2.458 -5.052) 6.276 5.560 ( 4.640 3.181 -3.280) 6.512 5.805 ( 5.494 -3.157 -0.160) 6.338 5.820 ( -4.666 2.362 -0.467) 5.251 5.982 ( -5.395 1.839 -0.810) 5.757 6.138 ( 2.744 -1.106 -4.482) 5.370 6.266 ( 2.967 -6.816 -4.160) 8.519 6.459 ( -3.504 -5.518 -8.442) 10.677 6.558 ( 0.885 1.790 2.257) 3.013 6.808 ( -1.673 -3.543 3.700) 5.389 7.149 ( -2.452 1.726 3.381) 4.519 7.185 ( 2.090 0.168 -3.922) 4.447 7.725 ( 1.615 -1.589 3.055) 3.803 7.910 ( -0.006 2.089 3.104) 3.741 8.049 ( -1.875 -0.094 1.332) 2.302 8.067 ( 2.689 0.903 7.064) 7.612 8.185 ( -2.678 1.720 -0.427) 3.212 8.236 ( 4.121 -0.474 0.293) 4.158 8.372 ( 3.514 2.342 0.901) 4.318 8.427 ( 4.250 0.272 3.263) 5.365 8.586 ( -7.612 8.483 -2.067) 11.584 8.726 ( 4.785 1.658 -4.683) 6.898 8.947 ( -3.020 4.110 0.907) 5.180 9.083 ( -2.407 -1.500 0.773) 2.940 9.395 ( 7.915 -0.142 3.614) 8.702 9.688 ( -9.133 1.483 -6.688) 11.417 9.762 ( -1.305 0.427 -1.905) 2.348 9.984 ( -0.928 1.156 1.027) 1.804 10.056 ( -1.814 -2.780 -2.134) 3.946 10.174 ( 5.766 3.769 4.094) 8.013 10.587 ( -3.392 0.652 -3.948) 5.246 10.723 ( 4.740 -6.239 -3.499) 8.581 11.210 ( -1.465 0.033 3.714) 3.993 11.404 ( -0.243 -3.556 8.997) 9.678 11.790 ( -1.467 3.050 -3.730) 5.037 12.001 ( -0.467 -3.089 -2.073) 3.749 12.135 ( 2.334 -3.240 5.806) 7.047 12.387 ( -0.818 -10.727 -1.670) 10.887 13.615 ( -0.384 -6.950 1.306) 7.082 13.811 ( 1.066 -8.212 -4.813) 9.578 14.298 ( 2.575 4.561 5.641) 7.698 14.657 ( -1.654 -0.197 -4.482) 4.782 14.772 ( -0.421 0.446 2.144) 2.230 14.918 ( 0.152 0.250 -2.173) 2.193 16.673 ( -0.027 0.511 -0.757) 0.914 16.674 ( 0.188 0.712 -0.786) 1.077 19.020 ( 0.087 11.497 2.476) 11.761 19.404 ( 0.272 7.950 -7.924) 11.228 19.850 ( -1.108 3.374 1.931) 4.042 20.072 ( 0.163 -2.735 2.949) 4.025 20.142 ( 0.551 -1.034 -1.843) 2.184 20.314 ( 0.627 -0.903 -2.405) 2.644 20.692 ( -0.113 1.003 4.320) 4.436 20.838 ( -0.068 -0.467 4.372) 4.397 21.273 ( -0.002 6.567 0.527) 6.588 21.701 ( -4.516 -1.379 -13.017) 13.847 22.118 ( 3.487 3.503 0.780) 5.004 22.189 ( -1.279 2.397 -1.139) 2.946 22.427 ( -0.439 -0.239 3.337) 3.374 22.579 ( 1.092 -3.001 -1.099) 3.378 22.651 ( 0.810 0.779 0.399) 1.192 22.775 ( -0.088 -1.569 -4.913) 5.158 23.130 ( 0.518 1.299 13.100) 13.174 23.637 ( -2.811 -5.170 -0.160) 5.887 24.141 ( -0.111 4.260 -1.376) 4.478 24.293 ( 0.107 2.124 1.727) 2.740 25.422 ( 0.564 2.825 2.048) 3.535 25.623 ( -0.998 -0.565 -1.782) 2.120 25.959 ( -2.669 -0.161 -1.282) 2.965 26.199 ( 2.687 -1.063 -2.091) 3.567 26.404 ( 5.035 4.231 6.345) 9.138 26.835 ( -2.329 -1.185 -3.818) 4.626 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 11.977 19.798 14.544) 27.330 2.403 ( -0.350 27.056 6.733) 27.883 2.493 ( 4.790 4.712 -5.079) 8.422 3.052 ( 4.824 8.981 -0.329) 10.200 3.366 ( -0.986 -1.281 -0.093) 1.620 3.457 ( 6.818 15.799 2.743) 17.424 3.517 ( -0.696 -6.130 3.253) 6.974 3.598 ( 0.586 9.199 1.570) 9.351 3.756 ( 0.346 -0.739 1.048) 1.328 3.871 ( 2.126 1.185 -5.074) 5.628 3.976 ( 0.716 0.893 1.828) 2.157 4.094 ( -3.464 -8.148 4.342) 9.861 4.157 ( 5.667 -2.333 -1.246) 6.254 4.299 ( 3.022 -5.306 -2.878) 6.750 4.399 ( -2.085 -3.025 -4.134) 5.531 4.487 ( 10.258 3.064 -5.140) 11.876 4.646 ( 7.704 8.023 1.016) 11.169 4.718 ( -3.431 -9.885 2.488) 10.756 4.743 ( 4.775 -8.544 0.688) 9.812 4.810 ( 2.668 -6.159 -1.025) 6.790 4.881 ( -0.558 0.323 7.190) 7.219 5.008 ( 7.829 -6.114 0.280) 9.937 5.283 ( -2.356 3.859 -11.405) 12.268 5.341 ( 0.573 -3.710 4.229) 5.655 5.483 ( 2.013 -3.140 -2.341) 4.404 5.679 ( -2.519 3.626 -6.941) 8.227 5.786 ( 7.479 1.195 -2.871) 8.100 5.886 ( -0.102 -4.336 -1.260) 4.517 5.968 ( 6.763 1.860 2.915) 7.596 6.209 ( 2.366 0.234 -2.175) 3.222 6.300 ( 2.180 -7.145 0.895) 7.524 6.389 ( -3.172 -5.161 -9.303) 11.102 6.623 ( 5.724 1.389 -3.572) 6.889 6.807 ( 1.650 -4.841 4.455) 6.782 7.096 ( -1.747 0.452 4.536) 4.882 7.224 ( 0.841 2.125 -1.717) 2.859 7.702 ( -6.044 -5.847 3.354) 9.053 7.800 ( -18.303 -3.104 -0.379) 18.568 7.831 ( -6.783 3.833 4.703) 9.100 8.030 ( -5.461 2.102 4.169) 7.185 8.111 ( -8.645 5.992 2.584) 10.832 8.150 ( -10.973 3.664 1.282) 11.639 8.322 ( -9.049 6.819 -7.362) 13.512 8.362 ( -6.421 1.008 1.667) 6.710 8.463 ( -3.246 1.502 -0.521) 3.614 8.781 ( -8.230 3.803 0.767) 9.098 8.882 ( 1.668 -0.480 -2.363) 2.932 9.172 ( 9.001 1.729 2.054) 9.393 9.524 ( 6.041 -0.178 -2.224) 6.440 9.554 ( -6.245 4.323 3.117) 8.211 9.804 ( 5.982 2.564 -4.469) 7.895 9.919 ( -2.635 4.762 -0.260) 5.448 10.071 ( 2.185 -6.127 -1.996) 6.805 10.331 ( 9.099 0.909 3.420) 9.763 10.495 ( -4.342 3.567 -2.187) 6.029 10.869 ( 8.091 -9.399 -2.436) 12.639 11.183 ( -1.098 -1.234 2.136) 2.700 11.403 ( -0.043 -3.577 8.170) 8.919 11.790 ( 1.129 2.529 -4.132) 4.974 11.987 ( -0.790 -2.132 -1.905) 2.966 12.211 ( 4.924 -1.205 6.082) 7.917 12.395 ( 1.442 -10.661 -1.801) 10.908 13.599 ( -1.297 -6.872 0.394) 7.004 13.779 ( -4.115 -8.013 -2.640) 9.387 14.304 ( -2.110 3.558 6.184) 7.440 14.581 ( -4.943 -0.235 -5.743) 7.581 14.729 ( -3.472 1.742 1.948) 4.346 14.890 ( -2.661 0.111 -1.923) 3.285 16.670 ( -0.179 0.790 -0.895) 1.207 16.678 ( 0.214 0.348 -0.482) 0.632 19.024 ( 0.195 11.365 2.336) 11.604 19.400 ( -0.566 8.026 -7.895) 11.272 19.833 ( -0.574 3.494 1.709) 3.932 20.075 ( 0.163 -2.364 2.972) 3.801 20.156 ( 0.875 -1.392 -2.057) 2.633 20.326 ( 0.531 -0.907 -2.287) 2.516 20.690 ( -0.123 0.946 4.248) 4.354 20.839 ( 0.125 -0.488 4.284) 4.313 21.245 ( -2.571 6.043 1.191) 6.675 21.481 ( -13.407 2.073 -8.733) 16.134 22.162 ( -0.021 1.900 -1.708) 2.555 22.286 ( 8.381 3.628 -2.482) 9.464 22.444 ( 2.094 -1.562 2.145) 3.380 22.592 ( 0.407 -2.238 0.155) 2.280 22.689 ( 2.408 0.295 -0.447) 2.467 22.780 ( 0.741 -2.325 -4.415) 5.045 23.144 ( 0.568 1.448 13.770) 13.857 23.586 ( -1.923 -3.572 -0.863) 4.147 24.139 ( -0.083 4.023 -1.298) 4.228 24.312 ( 1.675 1.144 1.420) 2.476 25.432 ( 0.193 3.705 2.764) 4.627 25.602 ( -1.260 0.659 -2.869) 3.202 25.859 ( -4.451 4.099 3.152) 6.823 26.231 ( -0.520 6.112 -5.067) 7.957 26.503 ( 3.217 -4.521 7.409) 9.256 26.921 ( 10.122 -8.788 -6.180) 14.760 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.762 15.391 10.923) 18.889 2.599 ( 14.646 15.056 -0.055) 21.005 2.681 ( 14.673 6.881 1.609) 16.286 3.101 ( 0.977 11.039 -11.601) 16.044 3.308 ( -4.268 -6.727 -2.594) 8.378 3.347 ( -8.832 5.153 5.856) 11.783 3.498 ( -3.779 1.226 0.097) 3.974 3.674 ( -3.914 2.641 -1.158) 4.861 3.733 ( -2.754 2.756 0.443) 3.921 3.896 ( 0.891 -0.469 -1.051) 1.455 3.929 ( -5.900 5.445 1.972) 8.267 4.193 ( 9.474 4.040 6.296) 12.072 4.310 ( 3.639 -3.145 -4.355) 6.488 4.322 ( 0.212 -4.016 2.240) 4.603 4.418 ( 8.639 -9.441 2.079) 12.964 4.537 ( 2.359 -0.383 -2.362) 3.360 4.761 ( 4.567 0.800 1.391) 4.840 4.816 ( 3.519 -7.139 1.783) 8.157 4.855 ( 4.926 -6.655 -5.049) 9.698 5.010 ( 19.362 -0.940 0.497) 19.391 5.046 ( 14.916 -4.503 -0.387) 15.586 5.175 ( 7.833 -3.846 3.131) 9.271 5.272 ( 5.637 6.810 0.946) 8.890 5.383 ( 4.184 -7.228 -0.641) 8.376 5.557 ( 6.467 1.210 -4.326) 7.874 5.653 ( 1.559 -1.547 -3.253) 3.925 5.840 ( 0.275 2.520 -3.401) 4.242 5.931 ( -3.401 -5.941 0.951) 6.911 6.071 ( 3.479 -1.908 -0.973) 4.086 6.214 ( 0.167 0.982 1.807) 2.063 6.330 ( 3.653 -6.664 -2.205) 7.913 6.455 ( 7.714 -1.331 -2.643) 8.262 6.711 ( 0.788 -1.945 -5.230) 5.636 6.879 ( 5.093 -5.440 6.582) 9.942 7.093 ( -0.953 3.204 0.967) 3.480 7.192 ( -3.310 1.211 3.582) 5.026 7.402 ( -16.680 -2.356 0.263) 16.848 7.490 ( -13.022 -3.794 3.033) 13.898 7.654 ( -15.627 4.930 5.529) 17.294 7.845 ( -14.611 3.014 -2.530) 15.132 7.857 ( -9.338 2.051 -0.019) 9.561 7.976 ( -6.737 5.135 3.489) 9.162 8.154 ( -8.246 2.589 -1.148) 8.719 8.215 ( -11.086 1.413 -0.366) 11.182 8.343 ( -3.711 7.085 -8.791) 11.885 8.620 ( -6.815 2.258 -2.576) 7.627 8.879 ( 0.035 4.665 -0.459) 4.687 9.308 ( 1.964 3.457 3.242) 5.130 9.425 ( -6.276 7.270 3.488) 10.218 9.652 ( 4.874 5.389 -6.342) 9.645 9.851 ( 2.623 3.418 -0.242) 4.316 9.960 ( 2.172 -1.298 0.874) 2.677 10.166 ( 8.004 -1.874 -0.237) 8.224 10.429 ( -0.991 4.568 -5.202) 6.994 10.532 ( 9.690 -1.651 6.402) 11.731 11.001 ( 4.468 -8.144 3.466) 9.915 11.177 ( 0.879 -6.331 -3.584) 7.328 11.393 ( -1.391 -4.166 6.529) 7.869 11.811 ( 0.740 1.430 -4.937) 5.193 11.972 ( -0.650 -0.930 -1.591) 1.954 12.311 ( 4.516 0.539 4.473) 6.379 12.430 ( 1.749 -9.869 0.397) 10.030 13.559 ( -2.862 -7.096 0.071) 7.652 13.671 ( -5.776 -6.891 -1.544) 9.123 14.232 ( -4.397 4.025 4.748) 7.621 14.503 ( -2.518 0.152 -5.216) 5.794 14.656 ( -3.503 1.529 2.093) 4.358 14.828 ( -3.149 -0.861 -1.937) 3.796 16.667 ( -0.079 0.861 -0.739) 1.137 16.681 ( 0.030 0.262 -0.424) 0.500 19.026 ( -0.069 11.265 2.063) 11.452 19.382 ( -1.007 7.985 -7.684) 11.127 19.830 ( 0.276 3.680 1.826) 4.118 20.080 ( 0.254 -2.648 2.196) 3.450 20.171 ( 0.500 -0.684 -2.318) 2.468 20.333 ( 0.237 -0.720 -2.612) 2.720 20.690 ( 0.128 0.653 4.240) 4.292 20.846 ( 0.650 -0.513 4.252) 4.332 21.186 ( -2.943 5.522 1.439) 6.420 21.247 ( -9.453 4.196 -4.916) 11.451 22.169 ( 0.605 1.260 -0.292) 1.429 22.413 ( 4.617 5.051 -4.214) 8.036 22.498 ( 2.721 -4.492 -0.224) 5.257 22.601 ( 0.474 -1.936 0.865) 2.173 22.719 ( 0.516 0.887 -2.035) 2.279 22.807 ( 1.774 -2.810 -2.765) 4.323 23.152 ( -0.056 1.395 13.885) 13.955 23.570 ( 0.332 -3.012 -0.166) 3.034 24.138 ( 0.006 3.925 -1.472) 4.192 24.350 ( 1.945 0.651 1.589) 2.595 25.420 ( -1.586 7.713 3.564) 8.644 25.582 ( -0.258 3.511 -2.577) 4.363 25.803 ( -1.895 3.244 4.944) 6.209 26.207 ( -1.023 9.100 -6.880) 11.454 26.544 ( 1.320 -6.412 6.715) 9.378 27.126 ( 8.903 -18.482 -8.056) 22.040 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.390 6.964 7.195) 10.021 2.817 ( 4.369 11.035 -10.737) 16.004 2.987 ( 8.446 7.345 2.889) 11.560 3.063 ( -5.351 2.546 -1.261) 6.059 3.192 ( 1.633 10.630 -9.856) 14.588 3.256 ( -1.014 -2.889 0.805) 3.166 3.350 ( -7.380 6.990 2.836) 10.553 3.641 ( 2.351 -0.843 1.498) 2.912 3.671 ( -4.282 8.493 2.809) 9.918 3.815 ( -3.095 0.716 1.587) 3.551 3.970 ( 4.736 -1.508 -0.365) 4.984 4.163 ( -10.397 1.450 -2.055) 10.697 4.195 ( -3.873 -9.192 1.096) 10.035 4.384 ( 1.975 0.003 -1.610) 2.548 4.526 ( 5.972 -8.786 3.778) 11.276 4.725 ( 1.819 -3.152 4.828) 6.046 4.767 ( -1.710 -3.770 -4.209) 5.904 4.910 ( 3.906 -1.522 -8.239) 9.244 5.094 ( 18.668 -10.149 2.325) 21.375 5.182 ( 2.306 0.617 7.387) 7.763 5.255 ( 1.807 0.993 2.680) 3.382 5.406 ( 4.427 -5.891 -4.609) 8.692 5.478 ( 18.399 -5.050 -3.438) 19.387 5.608 ( 14.821 5.440 1.988) 15.913 5.651 ( -3.549 -7.139 -0.352) 7.981 5.762 ( 7.107 -2.062 -4.174) 8.496 5.788 ( 0.062 -4.727 2.828) 5.509 5.836 ( -0.880 -0.584 -0.454) 1.149 6.107 ( 0.908 1.039 -3.141) 3.431 6.186 ( -6.139 -0.917 4.697) 7.784 6.453 ( 4.410 -0.259 4.503) 6.308 6.529 ( -0.846 -3.540 -1.148) 3.817 6.687 ( 0.951 -1.286 -0.190) 1.610 6.886 ( -5.274 -6.424 0.132) 8.313 7.042 ( -2.305 1.019 -1.335) 2.852 7.126 ( -2.831 2.236 4.486) 5.756 7.199 ( -4.763 4.729 4.398) 8.024 7.249 ( -12.318 3.640 1.801) 12.970 7.411 ( -3.172 1.321 0.138) 3.439 7.656 ( 0.634 -3.393 -2.083) 4.031 7.727 ( -4.899 0.788 0.802) 5.027 7.829 ( -9.681 1.197 3.076) 10.228 7.936 ( -12.569 4.707 -5.281) 14.423 8.038 ( -2.926 1.291 0.665) 3.266 8.319 ( -0.277 9.132 -3.534) 9.796 8.572 ( 2.180 2.773 -13.048) 13.516 8.928 ( 5.275 9.059 3.300) 10.991 9.242 ( -7.583 9.153 2.506) 12.148 9.329 ( -2.572 9.007 3.085) 9.862 9.704 ( 1.313 3.863 -8.742) 9.647 9.927 ( 0.793 -3.725 2.082) 4.340 9.968 ( 1.869 6.232 2.669) 7.032 10.312 ( 4.552 0.999 -0.279) 4.669 10.423 ( -0.229 3.018 -3.474) 4.608 10.714 ( 7.772 -3.161 6.564) 10.653 11.024 ( -1.805 -4.182 5.021) 6.779 11.225 ( 3.228 -13.760 -4.030) 14.697 11.353 ( -2.124 -3.220 3.743) 5.375 11.823 ( 1.056 0.455 -4.993) 5.124 11.962 ( -0.290 0.178 -1.912) 1.942 12.363 ( 0.053 -1.704 2.240) 2.815 12.458 ( 1.097 -6.212 3.319) 7.128 13.492 ( -3.157 -7.624 0.550) 8.270 13.595 ( -1.397 -6.326 -2.903) 7.099 14.157 ( -3.005 5.400 3.739) 7.223 14.478 ( -0.004 0.174 -4.372) 4.376 14.607 ( -1.252 0.649 2.607) 2.964 14.782 ( -1.186 -2.131 -2.162) 3.259 16.667 ( 0.082 0.821 -0.570) 1.003 16.679 ( -0.175 0.319 -0.505) 0.622 19.023 ( -0.168 11.266 1.875) 11.423 19.363 ( -0.620 7.885 -7.470) 10.879 19.843 ( 1.025 3.816 2.374) 4.610 20.085 ( 0.192 -3.092 1.232) 3.334 20.170 ( -0.620 0.437 -2.641) 2.748 20.332 ( -0.327 -0.730 -3.203) 3.302 20.696 ( 0.410 0.397 4.456) 4.493 20.861 ( 0.453 -0.709 4.391) 4.471 21.122 ( -3.045 4.846 -2.452) 6.226 21.146 ( -0.561 5.240 1.084) 5.380 22.182 ( 0.731 1.139 1.051) 1.714 22.475 ( 1.638 4.622 -5.653) 7.483 22.532 ( 0.631 -5.478 -1.199) 5.643 22.611 ( 0.444 -2.406 1.205) 2.727 22.718 ( -0.446 1.675 -1.967) 2.622 22.830 ( 0.414 -2.415 -2.704) 3.649 23.144 ( -0.822 1.362 13.434) 13.528 23.596 ( 2.085 -3.709 1.310) 4.452 24.139 ( 0.149 4.037 -1.772) 4.411 24.380 ( 0.787 1.003 2.166) 2.513 25.384 ( -1.576 12.160 3.772) 12.829 25.592 ( 1.033 4.253 -1.952) 4.792 25.765 ( -2.138 0.971 4.107) 4.731 26.204 ( 0.865 11.384 -7.524) 13.673 26.556 ( -0.413 -9.573 7.214) 11.994 27.243 ( 2.948 -21.298 -9.387) 23.461 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -5.642 6.230 5.513) 10.051 2.717 ( -10.939 13.634 -7.152) 18.886 2.760 ( -14.504 15.275 -5.073) 21.666 3.098 ( -3.716 0.349 -3.827) 5.346 3.246 ( 4.227 5.553 3.770) 7.932 3.371 ( 8.479 -2.518 -3.010) 9.343 3.401 ( 6.687 4.520 -0.171) 8.073 3.598 ( 0.796 9.875 -2.857) 10.310 3.736 ( 5.037 -5.971 2.145) 8.101 3.800 ( 0.813 -0.137 2.679) 2.802 3.949 ( -6.875 -4.406 0.064) 8.166 4.067 ( 3.552 3.328 1.088) 4.988 4.210 ( 5.823 -11.455 1.965) 12.999 4.430 ( 1.710 1.084 1.586) 2.573 4.600 ( 0.939 1.784 2.301) 3.060 4.673 ( -4.183 -5.165 -1.295) 6.772 4.771 ( 1.332 -7.693 -6.110) 9.915 4.879 ( -9.565 -2.275 -1.937) 10.021 5.111 ( -10.851 1.100 -3.147) 11.352 5.185 ( -5.716 -1.341 5.448) 8.009 5.314 ( 2.998 -14.089 5.029) 15.257 5.385 ( -9.623 7.797 3.138) 12.777 5.523 ( -3.010 -9.028 -3.434) 10.117 5.635 ( -6.132 0.186 1.103) 6.233 5.696 ( -10.543 -2.512 0.679) 10.859 5.779 ( -2.437 0.043 1.068) 2.661 5.791 ( 4.433 -2.474 -2.839) 5.817 5.980 ( -7.178 -1.024 3.924) 8.244 6.044 ( 12.738 -5.828 -4.895) 14.839 6.174 ( 1.936 2.164 -0.043) 2.904 6.425 ( -3.467 -1.420 4.860) 6.137 6.562 ( -4.359 -4.251 3.498) 7.022 6.651 ( -0.237 -1.949 -0.150) 1.969 6.810 ( 0.504 -4.844 -2.481) 5.466 7.024 ( 11.124 2.474 0.542) 11.409 7.114 ( -7.864 2.906 1.973) 8.613 7.227 ( 5.739 4.724 -4.125) 8.501 7.263 ( 10.800 3.020 4.927) 12.249 7.408 ( 6.516 4.616 5.270) 9.568 7.643 ( -2.393 -0.394 -0.201) 2.434 7.713 ( 2.585 1.338 3.942) 4.900 7.788 ( -0.351 2.340 -5.002) 5.534 7.828 ( 11.306 -5.783 -4.245) 13.389 8.067 ( 4.379 2.630 -1.882) 5.444 8.331 ( 1.634 9.575 -4.621) 10.757 8.654 ( 5.584 2.267 -9.074) 10.893 9.062 ( -7.593 7.942 5.223) 12.166 9.078 ( 6.963 11.582 0.815) 13.539 9.328 ( 2.007 7.766 1.878) 8.238 9.725 ( 1.455 2.433 -8.295) 8.766 9.877 ( -3.047 2.108 2.256) 4.338 10.031 ( 1.655 4.290 2.771) 5.369 10.302 ( -5.514 0.998 0.127) 5.605 10.388 ( -3.470 0.628 -2.697) 4.440 10.805 ( 0.600 -3.562 7.570) 8.387 10.954 ( -4.944 -4.996 0.384) 7.039 11.259 ( 0.090 -8.743 1.600) 8.889 11.345 ( 1.514 -6.624 1.088) 6.881 11.868 ( 3.438 -0.557 -4.030) 5.326 11.956 ( -0.524 1.112 -3.448) 3.661 12.315 ( -4.398 -3.200 3.510) 6.473 12.470 ( 0.003 -5.370 2.560) 5.949 13.472 ( 1.508 -7.684 -0.344) 7.838 13.605 ( 2.003 -6.169 -2.314) 6.886 14.118 ( -0.836 7.036 2.576) 7.539 14.501 ( 2.323 -0.136 -3.500) 4.202 14.612 ( 1.744 0.408 2.798) 3.322 14.784 ( 1.278 -2.386 -2.176) 3.473 16.669 ( 0.033 0.785 -0.483) 0.923 16.676 ( -0.136 0.414 -0.635) 0.770 19.022 ( -0.025 11.330 1.856) 11.481 19.359 ( 0.319 7.757 -7.406) 10.730 19.866 ( 1.063 3.818 2.960) 4.947 20.083 ( -0.469 -3.786 -0.240) 3.822 20.153 ( -0.833 1.643 -1.537) 2.399 20.321 ( -0.740 -0.908 -3.449) 3.643 20.701 ( -0.058 0.342 4.244) 4.258 20.860 ( -0.474 -0.489 4.197) 4.252 21.114 ( 1.686 5.111 -1.175) 5.508 21.191 ( 5.359 4.439 0.719) 6.996 22.196 ( 0.564 1.214 1.644) 2.120 22.463 ( -2.730 1.184 -7.434) 8.007 22.535 ( -0.230 -1.993 0.299) 2.029 22.610 ( -0.801 -3.143 0.880) 3.361 22.704 ( -0.939 1.984 -1.702) 2.778 22.823 ( -0.945 -2.025 -3.330) 4.010 23.128 ( -0.800 0.936 12.684) 12.744 23.642 ( 2.333 -5.121 2.754) 6.265 24.142 ( 0.186 4.327 -2.117) 4.820 24.378 ( -0.969 1.978 2.648) 3.444 25.372 ( 0.364 12.756 3.213) 13.160 25.618 ( 1.790 5.385 -1.313) 5.825 25.723 ( -2.066 -0.081 2.477) 3.227 26.234 ( 2.057 12.506 -6.458) 14.224 26.523 ( -3.161 -12.114 6.682) 14.191 27.243 ( -2.791 -20.002 -9.191) 22.189 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -7.112 17.358 4.650) 19.326 2.380 ( -15.684 23.815 -1.446) 28.552 2.655 ( -2.629 12.421 -1.659) 12.804 2.939 ( -9.190 0.740 -2.683) 9.602 3.372 ( 6.285 5.542 2.064) 8.630 3.460 ( 3.146 4.976 -4.334) 7.310 3.500 ( 3.788 -9.582 -1.570) 10.422 3.651 ( 1.328 -0.127 -5.123) 5.294 3.784 ( -1.179 -3.321 3.068) 4.672 3.848 ( 2.125 -6.987 2.416) 7.692 3.927 ( 6.688 -3.304 -4.083) 8.504 4.217 ( 7.127 6.958 5.715) 11.483 4.294 ( -3.433 -6.519 3.055) 7.975 4.375 ( -6.692 4.865 6.481) 10.510 4.558 ( -1.130 0.391 2.937) 3.171 4.602 ( -9.611 -8.391 -2.630) 13.027 4.667 ( -0.909 6.848 -0.602) 6.935 4.703 ( -12.575 -1.798 -4.725) 13.553 4.861 ( -5.472 -8.247 -3.135) 10.382 5.042 ( -12.456 4.131 2.869) 13.433 5.194 ( -3.273 -2.098 3.079) 4.959 5.213 ( -16.426 2.005 0.198) 16.549 5.354 ( -6.804 -6.996 5.544) 11.224 5.424 ( -11.522 -3.096 -2.572) 12.205 5.566 ( -2.239 -5.211 3.105) 6.466 5.786 ( -1.632 -2.277 -3.137) 4.206 5.830 ( -3.916 3.250 -2.806) 5.812 5.875 ( 0.791 -3.112 -1.513) 3.549 6.097 ( -3.810 -3.303 -4.164) 6.539 6.175 ( -0.537 -0.734 -2.187) 2.369 6.267 ( -8.298 -3.301 0.969) 8.983 6.509 ( -2.081 -1.153 -1.493) 2.808 6.776 ( -0.040 -3.130 -3.240) 4.505 6.867 ( 4.230 -3.338 1.799) 5.681 6.949 ( 1.674 1.007 2.467) 3.147 7.246 ( -3.644 3.832 7.824) 9.444 7.356 ( 17.667 -2.180 -0.871) 17.822 7.520 ( 14.730 -0.940 1.875) 14.879 7.616 ( 10.040 5.109 -2.627) 11.567 7.768 ( 14.960 5.072 5.292) 16.659 7.823 ( 8.181 0.446 -2.515) 8.570 7.951 ( 12.247 3.282 2.886) 13.003 8.057 ( 12.145 -3.635 -2.404) 12.903 8.184 ( 7.508 3.246 -5.324) 9.760 8.370 ( 2.096 6.266 -4.540) 8.016 8.754 ( 2.851 1.096 -5.044) 5.897 8.937 ( -1.751 8.363 4.088) 9.472 9.216 ( 3.995 5.228 1.949) 6.863 9.369 ( 0.760 5.050 0.115) 5.108 9.763 ( 1.891 -0.596 -1.963) 2.790 9.862 ( 2.369 9.094 -0.254) 9.401 9.989 ( -5.561 -0.998 -0.402) 5.664 10.141 ( -8.992 1.038 1.206) 9.132 10.310 ( -3.757 0.364 -1.594) 4.097 10.738 ( -6.784 -3.394 5.939) 9.633 10.845 ( -5.519 -5.072 -3.351) 8.211 11.253 ( -0.603 -2.912 1.929) 3.545 11.384 ( 1.821 -7.622 4.971) 9.280 11.914 ( -1.487 0.063 -6.108) 6.287 11.951 ( 2.086 -0.305 -1.764) 2.749 12.215 ( -5.198 -3.223 5.115) 7.974 12.457 ( -1.337 -8.052 1.051) 8.230 13.543 ( 4.823 -7.614 -0.420) 9.023 13.658 ( 3.291 -5.669 -1.941) 6.837 14.136 ( 2.791 7.538 1.965) 8.275 14.564 ( 3.936 -0.256 -3.069) 4.998 14.669 ( 3.679 0.611 2.771) 4.646 14.827 ( 2.914 -1.390 -2.119) 3.862 16.668 ( -0.003 0.798 -0.661) 1.037 16.674 ( -0.017 0.488 -0.603) 0.776 19.022 ( -0.015 11.415 2.021) 11.593 19.372 ( 1.011 7.691 -7.524) 10.807 19.880 ( 0.136 3.668 2.955) 4.712 20.071 ( -0.512 -3.978 -0.770) 4.084 20.141 ( -0.363 1.624 -0.119) 1.668 20.307 ( -0.464 -0.915 -3.181) 3.342 20.697 ( -0.313 0.531 3.864) 3.913 20.849 ( -0.568 -0.279 4.203) 4.250 21.172 ( 3.776 5.830 -0.729) 6.984 21.351 ( 10.522 2.958 -0.821) 10.961 22.202 ( -0.070 1.085 0.983) 1.466 22.376 ( -5.808 0.485 -6.601) 8.806 22.514 ( -2.000 -0.002 1.752) 2.659 22.580 ( -1.765 -3.603 -0.584) 4.054 22.681 ( -1.290 1.394 -1.254) 2.276 22.801 ( -1.090 -1.572 -3.967) 4.404 23.119 ( -0.228 0.481 12.154) 12.165 23.678 ( 1.090 -6.348 3.131) 7.162 24.145 ( 0.049 4.554 -2.216) 5.065 24.347 ( -2.020 2.782 2.628) 4.328 25.392 ( 1.257 8.919 2.192) 9.270 25.678 ( 2.630 3.392 -2.914) 5.188 25.688 ( 0.868 3.761 3.838) 5.443 26.275 ( 1.937 11.507 -5.166) 12.762 26.433 ( -5.845 -12.061 4.978) 14.297 27.136 ( -7.629 -15.085 -7.109) 18.338 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -3.365 24.184 10.499) 26.578 2.215 ( 0.981 30.596 -0.598) 30.617 2.569 ( -6.321 12.568 -6.168) 15.361 2.843 ( 0.702 1.025 7.560) 7.661 3.462 ( 1.893 -2.744 2.733) 4.311 3.512 ( -0.495 -3.050 0.579) 3.144 3.543 ( -0.745 6.507 -2.104) 6.879 3.681 ( -5.511 4.352 0.956) 7.087 3.711 ( 3.216 -0.788 -6.042) 6.890 3.808 ( -4.374 -2.971 4.571) 6.990 4.032 ( 0.845 -4.630 -7.224) 8.621 4.103 ( -1.732 -2.123 4.162) 4.983 4.191 ( -13.767 8.872 0.407) 16.383 4.302 ( 0.963 -0.019 7.058) 7.123 4.389 ( -10.764 -5.828 -1.622) 12.347 4.554 ( -0.724 -6.211 -1.317) 6.390 4.633 ( 2.934 0.486 2.131) 3.658 4.727 ( 3.950 -0.085 2.267) 4.555 4.762 ( -10.952 -2.744 0.658) 11.309 4.816 ( -0.887 -1.595 -1.631) 2.448 4.965 ( -5.012 -4.603 3.087) 7.472 5.165 ( -12.671 -1.223 -1.750) 12.850 5.235 ( 2.510 -1.725 0.620) 3.108 5.275 ( -0.713 -1.436 -1.329) 2.082 5.533 ( -1.925 -5.291 -0.926) 5.706 5.646 ( -7.448 5.370 -11.022) 14.345 5.764 ( -2.905 -1.363 -2.780) 4.246 5.899 ( -1.158 -2.960 4.218) 5.281 6.045 ( -1.653 -0.334 -0.633) 1.801 6.134 ( -1.173 -2.439 -4.565) 5.307 6.213 ( 0.683 -1.939 -4.396) 4.853 6.487 ( 0.143 -2.973 -1.478) 3.324 6.627 ( -7.730 -0.301 -4.875) 9.144 6.854 ( -2.489 -4.361 5.295) 7.297 7.124 ( 4.628 0.410 -4.495) 6.464 7.189 ( -0.856 0.810 7.273) 7.368 7.629 ( 9.497 0.541 -1.502) 9.630 7.795 ( 12.435 -0.635 0.145) 12.452 7.848 ( 10.935 3.935 7.975) 14.095 7.970 ( 9.835 0.601 3.901) 10.597 8.078 ( 11.067 2.147 0.355) 11.279 8.173 ( 10.976 3.851 2.527) 11.903 8.247 ( 2.190 -3.120 -5.866) 6.996 8.321 ( 7.134 0.530 -1.307) 7.272 8.479 ( 9.951 5.695 -0.831) 11.495 8.753 ( -1.273 2.820 -1.889) 3.625 8.975 ( 1.731 5.651 -0.905) 5.979 9.198 ( -5.309 2.292 4.034) 7.051 9.331 ( -2.990 0.573 -1.484) 3.387 9.778 ( -0.480 -0.956 4.247) 4.380 9.863 ( -5.413 3.324 -6.637) 9.187 9.954 ( 2.051 1.012 -0.750) 2.407 10.029 ( 1.004 0.162 -0.503) 1.135 10.220 ( -6.135 1.422 2.111) 6.642 10.613 ( -3.280 -2.039 0.138) 3.865 10.746 ( -4.405 -3.919 -4.215) 7.248 11.236 ( -1.140 -0.588 2.966) 3.231 11.406 ( 0.237 -5.340 7.898) 9.536 11.848 ( -3.908 2.585 -4.639) 6.593 11.993 ( 1.452 -3.169 -2.484) 4.280 12.134 ( -2.460 -3.552 5.949) 7.352 12.421 ( -2.151 -10.208 -0.469) 10.443 13.609 ( 1.366 -7.456 1.274) 7.687 13.744 ( 5.046 -6.582 -4.417) 9.397 14.218 ( 4.802 6.388 3.514) 8.730 14.639 ( 3.052 -0.138 -3.473) 4.625 14.741 ( 3.112 0.442 2.680) 4.131 14.886 ( 2.747 -0.269 -2.221) 3.543 16.670 ( 0.154 0.708 -0.760) 1.050 16.674 ( -0.025 0.606 -0.702) 0.927 19.021 ( -0.103 11.489 2.307) 11.719 19.392 ( 0.944 7.782 -7.752) 11.024 19.871 ( -0.925 3.446 2.397) 4.298 20.068 ( 0.147 -3.691 1.110) 3.857 20.137 ( -0.037 0.533 -0.716) 0.893 20.305 ( 0.266 -0.807 -2.741) 2.869 20.693 ( -0.125 0.781 4.104) 4.180 20.841 ( -0.310 -0.292 4.253) 4.275 21.242 ( 2.903 6.548 -0.164) 7.164 21.584 ( 12.014 0.791 -5.605) 13.280 22.176 ( -3.752 0.478 -2.749) 4.675 22.247 ( -5.706 2.297 -1.796) 6.407 22.461 ( -2.846 -0.106 3.333) 4.384 22.562 ( 0.156 -3.027 -1.753) 3.502 22.656 ( -1.022 0.877 -0.195) 1.361 22.783 ( -0.635 -1.341 -4.611) 4.844 23.121 ( 0.220 0.722 12.333) 12.356 23.679 ( -1.158 -6.488 1.808) 6.834 24.143 ( -0.116 4.522 -1.855) 4.889 24.308 ( -1.619 2.840 2.229) 3.956 25.411 ( 0.653 4.423 1.682) 4.776 25.649 ( -1.630 -0.606 -0.750) 1.894 25.843 ( 10.212 5.946 0.590) 11.831 26.262 ( -5.714 -6.918 -3.770) 9.732 26.348 ( 0.318 7.428 3.901) 8.396 26.963 ( -8.901 -6.927 -4.022) 11.974 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 3.166 18.656 9.956) 21.382 2.651 ( -1.614 10.054 0.497) 10.195 2.789 ( 4.573 9.448 -0.805) 10.527 3.048 ( 5.537 11.021 9.616) 15.639 3.300 ( -1.148 -11.766 1.880) 11.971 3.434 ( 1.781 1.057 -0.269) 2.088 3.566 ( -2.913 2.363 3.431) 5.083 3.657 ( -2.363 -6.663 2.885) 7.636 3.685 ( 2.415 -9.310 -5.235) 10.950 3.756 ( 2.912 -2.596 -1.864) 4.323 3.890 ( -3.804 -0.337 -5.189) 6.443 4.022 ( -2.643 -3.466 5.479) 7.001 4.112 ( 0.965 -3.573 -3.116) 4.838 4.185 ( 2.578 4.366 -4.029) 6.476 4.370 ( 2.181 -5.087 -3.738) 6.679 4.409 ( -3.594 -5.530 -0.963) 6.665 4.485 ( 3.890 -0.584 3.737) 5.426 4.565 ( -0.716 -4.626 7.615) 8.939 4.797 ( -7.367 3.141 -2.250) 8.319 4.902 ( 1.003 5.426 1.021) 5.612 4.944 ( -2.463 6.268 2.021) 7.031 5.091 ( -5.104 2.897 7.132) 9.236 5.263 ( 1.177 11.846 -0.097) 11.905 5.354 ( -1.052 -0.401 -4.769) 4.900 5.520 ( -0.650 1.322 -7.087) 7.238 5.639 ( 2.107 -1.119 -5.487) 5.983 5.707 ( 3.748 0.359 0.700) 3.830 5.874 ( 1.428 -0.537 0.031) 1.526 5.984 ( -3.151 -1.088 -4.649) 5.721 6.087 ( 3.819 -4.634 -8.025) 10.023 6.196 ( -1.789 2.265 -1.084) 3.083 6.419 ( -3.041 2.707 -5.703) 7.007 6.537 ( 0.205 -4.995 2.190) 5.457 6.722 ( -2.062 -5.628 4.947) 7.771 7.149 ( -1.109 0.778 1.103) 1.747 7.213 ( 1.235 0.863 -4.901) 5.127 7.701 ( -1.213 -0.162 -2.816) 3.071 7.893 ( -2.408 -7.057 -1.914) 7.698 7.998 ( -1.388 1.467 2.846) 3.490 8.083 ( 3.519 0.300 8.832) 9.512 8.216 ( 6.764 -0.361 2.242) 7.135 8.252 ( 3.781 1.946 1.431) 4.486 8.409 ( 1.997 1.305 2.752) 3.642 8.428 ( 1.234 -0.105 3.859) 4.053 8.708 ( -5.829 3.615 -1.291) 6.980 8.749 ( 5.686 0.541 -0.905) 5.782 9.012 ( -8.085 2.485 -3.611) 9.197 9.056 ( -1.892 -0.682 -2.614) 3.298 9.437 ( 7.373 4.378 4.769) 9.811 9.685 ( -1.931 -4.109 -4.329) 6.273 9.767 ( -5.060 2.702 1.865) 6.032 9.935 ( 0.302 -4.156 -0.808) 4.244 10.117 ( -1.717 5.144 -2.285) 5.885 10.225 ( 3.101 0.610 -0.470) 3.195 10.596 ( 0.118 0.479 -1.746) 1.814 10.628 ( 0.419 -2.627 -1.742) 3.180 11.232 ( -1.355 1.841 2.614) 3.473 11.330 ( 0.249 -3.540 4.808) 5.976 11.836 ( -1.762 1.906 -1.790) 3.153 11.959 ( 1.524 -1.244 -1.763) 2.642 12.034 ( 1.594 -5.234 5.399) 7.687 12.176 ( -0.519 -9.537 1.617) 9.687 13.543 ( 0.004 -0.595 -0.574) 0.827 13.669 ( 0.498 -6.003 -4.157) 7.319 14.388 ( 0.891 4.668 3.959) 6.186 14.593 ( -1.382 -4.952 -1.405) 5.330 14.827 ( 0.099 3.758 0.430) 3.784 14.918 ( 0.300 -0.473 -1.590) 1.686 16.686 ( 0.028 0.697 -0.422) 0.815 16.689 ( 0.029 0.611 -0.544) 0.819 19.277 ( -0.005 13.430 1.697) 13.537 19.545 ( 0.268 4.775 -4.717) 6.717 19.868 ( -0.776 -1.315 -2.901) 3.278 19.988 ( 0.268 -5.015 -1.563) 5.260 20.159 ( 0.225 2.552 3.533) 4.364 20.280 ( 0.474 -2.390 0.128) 2.440 20.727 ( -0.098 2.312 4.087) 4.696 20.814 ( -0.248 -1.726 4.659) 4.975 21.375 ( -0.456 4.540 -3.236) 5.594 21.613 ( -2.467 -6.584 -10.578) 12.702 22.195 ( 3.383 4.005 0.903) 5.320 22.237 ( -1.300 2.200 -0.093) 2.557 22.418 ( -0.153 -0.357 0.985) 1.058 22.516 ( 0.638 -3.806 -1.105) 4.014 22.662 ( 0.442 0.358 -0.342) 0.664 22.697 ( -0.266 -3.248 -1.347) 3.526 23.266 ( 0.408 8.669 10.414) 13.556 23.534 ( -1.277 -5.179 4.691) 7.104 24.227 ( -0.269 4.132 -3.506) 5.426 24.319 ( -0.412 0.186 -1.785) 1.841 25.482 ( 0.132 3.084 1.353) 3.370 25.599 ( -0.933 -1.993 -1.649) 2.750 25.958 ( -0.936 0.721 1.606) 1.994 26.100 ( 4.157 -5.695 5.148) 8.730 26.565 ( 0.153 8.576 -1.872) 8.780 26.795 ( -1.330 -2.982 -4.105) 5.245 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 4.663 15.324 10.434) 19.117 2.641 ( 2.744 10.120 -0.503) 10.497 2.838 ( -0.195 13.451 -0.833) 13.478 3.163 ( 4.963 -2.746 7.355) 9.288 3.248 ( -1.642 -2.984 0.023) 3.406 3.422 ( -1.689 -0.539 3.450) 3.879 3.603 ( 0.655 0.135 -1.628) 1.760 3.691 ( 0.457 -3.441 1.154) 3.657 3.734 ( 7.299 5.310 3.456) 9.665 3.818 ( 4.770 -8.396 -8.772) 13.046 3.917 ( 7.300 -6.451 -3.607) 10.388 3.992 ( 1.437 -4.183 7.717) 8.894 4.113 ( -2.220 -2.823 -0.301) 3.604 4.323 ( 4.714 6.587 -4.389) 9.213 4.346 ( -3.678 0.401 -5.734) 6.825 4.444 ( 8.623 -7.168 -1.039) 11.261 4.583 ( 0.025 0.910 4.557) 4.647 4.619 ( 8.311 -1.304 2.640) 8.817 4.679 ( 1.746 -4.218 0.382) 4.581 4.916 ( 1.263 2.439 1.370) 3.069 4.978 ( 5.746 1.891 -0.374) 6.061 5.000 ( -3.689 10.564 3.346) 11.679 5.260 ( -1.390 -0.493 -0.763) 1.660 5.302 ( -2.863 -0.609 -3.330) 4.433 5.543 ( 5.426 6.758 -2.042) 8.904 5.724 ( 1.869 -2.703 -0.248) 3.296 5.779 ( -2.812 0.859 -2.755) 4.029 5.892 ( 9.664 5.543 -5.209) 12.298 5.973 ( -0.223 -1.700 -1.744) 2.446 6.154 ( -0.304 -3.774 -0.456) 3.813 6.215 ( 5.944 -2.307 -2.063) 6.701 6.365 ( -2.394 3.896 -5.296) 6.997 6.574 ( 3.400 -7.196 -3.099) 8.542 6.681 ( -0.892 -7.985 4.982) 9.454 7.129 ( -0.085 3.228 2.222) 3.920 7.244 ( 1.122 -0.339 -2.750) 2.990 7.600 ( -9.899 -3.021 -1.580) 10.469 7.692 ( -14.616 -5.568 -1.304) 15.695 7.948 ( -4.125 5.714 7.181) 10.061 8.062 ( -4.572 0.688 4.276) 6.298 8.214 ( -10.103 3.902 0.472) 10.841 8.232 ( -7.029 4.578 3.521) 9.097 8.326 ( -6.028 -2.562 0.789) 6.597 8.399 ( -9.377 -1.383 1.011) 9.532 8.538 ( -2.430 6.599 -4.202) 8.192 8.771 ( -7.124 -3.698 -0.967) 8.085 8.940 ( 3.129 5.265 -0.829) 6.180 9.153 ( 7.342 -3.421 0.087) 8.100 9.557 ( 6.661 3.983 -3.120) 8.365 9.658 ( -4.297 4.815 4.530) 7.885 9.782 ( 9.358 -2.572 -2.212) 9.954 9.934 ( -1.504 -6.162 -1.954) 6.637 10.090 ( 0.974 8.773 -2.434) 9.157 10.344 ( 7.532 -1.404 3.226) 8.313 10.562 ( -1.546 3.272 -1.757) 4.023 10.708 ( 5.474 -5.810 -2.634) 8.406 11.183 ( -3.375 1.198 2.232) 4.220 11.319 ( -1.200 -4.612 4.057) 6.259 11.827 ( 0.427 2.217 -1.942) 2.978 11.989 ( 1.428 2.161 1.008) 2.779 12.110 ( 5.330 -8.986 2.971) 10.862 12.185 ( 1.431 -8.230 1.998) 8.589 13.530 ( -1.312 -0.475 -1.112) 1.784 13.644 ( -2.906 -5.464 -3.340) 7.032 14.370 ( -2.632 3.321 4.080) 5.882 14.530 ( -4.224 -4.055 -1.878) 6.149 14.795 ( -3.165 3.995 0.220) 5.101 14.890 ( -2.942 -0.474 -1.271) 3.240 16.686 ( -0.030 0.712 -0.505) 0.873 16.690 ( 0.038 0.551 -0.394) 0.678 19.278 ( 0.028 13.242 1.505) 13.327 19.541 ( -0.592 4.691 -4.629) 6.617 19.860 ( 0.045 -0.575 -2.978) 3.034 19.993 ( 0.178 -5.088 -1.290) 5.252 20.170 ( 0.835 2.460 2.925) 3.912 20.292 ( 0.697 -2.361 0.100) 2.464 20.723 ( -0.296 2.195 4.180) 4.730 20.811 ( -0.020 -1.949 4.614) 5.009 21.333 ( -3.432 3.520 -2.531) 5.529 21.475 ( -9.364 -2.456 -7.953) 12.529 22.206 ( -0.772 2.634 -0.990) 2.918 22.312 ( 5.303 -1.037 -0.537) 5.431 22.437 ( 2.126 1.023 0.057) 2.360 22.539 ( 1.547 -3.177 -0.636) 3.591 22.687 ( 1.049 -1.101 -1.049) 1.847 22.700 ( 1.650 -2.032 -0.549) 2.675 23.275 ( 0.382 8.198 11.068) 13.778 23.512 ( -0.896 -4.009 4.325) 5.965 24.223 ( -0.073 4.168 -3.674) 5.557 24.324 ( 0.902 -0.291 -2.079) 2.285 25.497 ( 1.229 2.871 1.464) 3.449 25.592 ( 0.255 -1.432 -2.140) 2.587 25.929 ( -1.659 3.632 3.844) 5.542 26.170 ( 2.124 -7.977 3.786) 9.082 26.569 ( 0.200 7.657 -0.968) 7.720 26.807 ( 2.569 -4.375 -5.501) 7.483 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -2.556 13.147 8.261) 15.736 2.798 ( 8.198 8.094 -1.648) 11.638 2.905 ( 8.256 9.457 -2.598) 12.820 3.109 ( -4.427 -10.524 -1.799) 11.558 3.291 ( -0.358 5.596 -0.702) 5.651 3.414 ( -0.086 0.520 5.700) 5.724 3.615 ( 2.017 10.020 -5.289) 11.508 3.690 ( -4.723 -0.127 0.710) 4.778 3.784 ( -0.501 3.901 -1.765) 4.311 3.804 ( -0.573 -6.875 -3.319) 7.656 4.019 ( -4.907 2.381 6.855) 8.760 4.114 ( 8.067 -11.942 6.740) 15.909 4.192 ( 6.072 -4.808 -4.054) 8.742 4.263 ( 1.803 -1.097 1.368) 2.515 4.355 ( -0.667 -2.691 -5.999) 6.609 4.520 ( 3.463 3.660 -1.799) 5.350 4.726 ( 6.947 -6.360 -1.332) 9.512 4.769 ( 3.056 0.060 4.207) 5.200 4.794 ( 6.383 -2.341 -3.184) 7.507 4.957 ( 12.911 -1.699 0.394) 13.029 5.053 ( 6.306 2.935 0.831) 7.005 5.162 ( 9.071 -1.133 0.635) 9.163 5.242 ( 1.514 0.138 -1.226) 1.953 5.359 ( 11.591 2.780 6.971) 13.808 5.654 ( 0.196 2.583 -3.494) 4.349 5.689 ( 3.640 7.466 -1.736) 8.486 5.785 ( -0.123 -5.058 -1.687) 5.333 5.888 ( -8.348 -3.582 -0.670) 9.109 6.103 ( 4.117 5.350 -2.024) 7.048 6.126 ( 4.769 -3.320 2.341) 6.265 6.340 ( 4.109 3.816 0.050) 5.608 6.404 ( 7.878 -2.319 -4.543) 9.385 6.620 ( 1.096 -6.589 -6.573) 9.371 6.715 ( 2.220 -11.611 6.470) 13.476 7.161 ( 2.755 3.706 1.627) 4.896 7.224 ( -4.785 1.604 -0.309) 5.057 7.335 ( -10.324 -2.538 0.589) 10.647 7.408 ( -13.895 -4.330 2.986) 14.857 7.797 ( -14.960 7.653 6.593) 18.051 7.896 ( -14.992 2.118 -0.111) 15.142 7.912 ( -12.364 2.803 -0.593) 12.691 8.032 ( -11.107 -0.433 6.177) 12.717 8.163 ( -8.594 0.060 1.242) 8.683 8.219 ( -8.565 -0.606 -4.412) 9.654 8.508 ( -1.016 7.875 -8.979) 11.986 8.656 ( -4.077 0.861 -7.242) 8.355 8.998 ( 3.681 6.998 3.151) 8.512 9.280 ( 4.485 -4.824 2.918) 7.204 9.569 ( -2.744 6.989 1.802) 7.722 9.760 ( 9.846 3.085 -0.450) 10.328 9.837 ( -4.904 -1.593 -5.136) 7.278 9.965 ( 6.102 -1.904 -2.268) 6.783 10.207 ( 9.615 7.171 1.711) 12.116 10.489 ( 5.282 -0.856 0.950) 5.434 10.548 ( 1.377 4.088 2.265) 4.872 10.821 ( 5.774 -9.018 -2.573) 11.013 11.103 ( -4.760 -0.577 0.900) 4.879 11.290 ( -1.770 -6.270 3.264) 7.287 11.837 ( 0.452 2.755 -1.765) 3.303 12.009 ( 0.353 3.673 2.605) 4.517 12.192 ( 2.201 -12.360 -0.603) 12.569 12.246 ( 4.427 -6.018 4.219) 8.580 13.488 ( -2.885 -0.609 -1.511) 3.313 13.565 ( -4.401 -3.877 -3.062) 6.616 14.302 ( -3.501 3.395 3.092) 5.774 14.460 ( -2.415 -3.846 -0.878) 4.625 14.717 ( -4.163 3.967 -0.063) 5.751 14.817 ( -3.963 -0.725 -1.142) 4.187 16.685 ( -0.037 0.795 -0.481) 0.929 16.690 ( 0.015 0.489 -0.323) 0.586 19.278 ( -0.119 13.059 1.202) 13.114 19.523 ( -1.003 4.810 -4.617) 6.742 19.868 ( 0.788 0.087 -2.815) 2.925 19.996 ( 0.197 -4.940 -1.445) 5.151 20.188 ( 0.712 2.191 2.199) 3.185 20.304 ( 0.409 -2.170 -0.292) 2.227 20.719 ( -0.109 2.104 4.379) 4.860 20.815 ( 0.391 -2.271 4.584) 5.131 21.258 ( -3.662 2.287 -1.476) 4.563 21.299 ( -7.513 0.984 -4.334) 8.729 22.201 ( 0.209 2.187 -0.888) 2.370 22.374 ( 1.476 -6.153 -1.875) 6.600 22.493 ( 2.665 1.617 -1.517) 3.466 22.571 ( 1.474 -1.564 -0.882) 2.323 22.695 ( 0.371 -1.171 -0.475) 1.317 22.755 ( 2.740 -1.059 -1.025) 3.111 23.282 ( 0.095 7.982 11.462) 13.968 23.504 ( 0.109 -3.639 4.851) 6.066 24.224 ( 0.174 4.447 -3.932) 5.939 24.349 ( 1.558 -1.048 -2.328) 2.991 25.523 ( 1.231 3.457 1.269) 3.883 25.606 ( 1.163 -0.534 -2.400) 2.720 25.891 ( -2.378 5.338 5.689) 8.155 26.188 ( 0.095 -8.689 1.993) 8.915 26.571 ( 0.025 7.756 -0.437) 7.768 26.877 ( 3.861 -8.408 -6.320) 11.205 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -1.337 14.874 7.929) 16.909 2.934 ( 5.066 0.792 -3.930) 6.461 3.040 ( -2.426 0.023 -4.622) 5.220 3.075 ( 5.580 -0.491 -5.107) 7.580 3.288 ( 1.825 3.159 -0.487) 3.681 3.363 ( -5.784 -1.316 2.510) 6.441 3.476 ( -8.878 12.264 -12.978) 19.941 3.672 ( 1.254 2.339 -0.309) 2.672 3.796 ( 1.492 1.312 3.001) 3.599 3.855 ( -1.074 0.663 3.592) 3.807 3.954 ( 3.415 7.970 7.434) 11.422 4.088 ( -5.692 -5.099 -1.029) 7.711 4.167 ( -8.050 -0.343 -7.741) 11.174 4.349 ( 6.920 -10.115 3.551) 12.760 4.380 ( 2.588 -3.039 5.433) 6.742 4.653 ( 2.329 -3.525 -8.651) 9.627 4.708 ( -1.250 -3.703 1.982) 4.382 4.894 ( 9.192 -3.948 -3.301) 10.534 4.911 ( 2.562 4.796 6.268) 8.298 5.159 ( 5.280 -5.469 2.534) 8.013 5.202 ( 4.697 -7.145 -2.294) 8.853 5.267 ( 1.140 -1.676 -1.401) 2.464 5.465 ( 18.693 -0.484 0.740) 18.714 5.606 ( -0.965 4.010 -0.164) 4.128 5.680 ( 6.032 1.005 4.830) 7.793 5.706 ( 0.664 -3.357 5.980) 6.890 5.754 ( -0.839 -1.083 -6.538) 6.680 5.818 ( 6.205 -1.212 -0.961) 6.394 6.110 ( 0.478 -0.040 -2.816) 2.856 6.186 ( -7.199 0.122 2.504) 7.623 6.462 ( 5.139 1.990 3.199) 6.372 6.497 ( 3.386 1.499 -2.312) 4.365 6.653 ( 2.098 -2.942 -1.878) 4.073 6.715 ( -1.596 -9.112 1.524) 9.375 7.089 ( -4.485 2.416 0.883) 5.171 7.154 ( -5.898 -0.562 5.626) 8.170 7.234 ( 0.000 2.420 2.982) 3.841 7.326 ( 2.923 0.330 3.095) 4.270 7.465 ( -10.447 4.455 -2.166) 11.562 7.598 ( -8.145 -1.878 -1.063) 8.426 7.749 ( -7.368 1.292 3.889) 8.431 7.822 ( -10.259 -1.502 7.533) 12.816 8.010 ( -9.258 2.669 -4.757) 10.746 8.055 ( -3.841 0.271 -3.201) 5.007 8.504 ( 0.440 8.528 -8.058) 11.741 8.631 ( 1.795 2.259 -13.010) 13.326 9.101 ( 6.234 8.049 4.042) 10.954 9.315 ( -1.230 -1.099 2.976) 3.402 9.510 ( -3.060 8.432 0.888) 9.013 9.744 ( -3.378 -2.175 -5.812) 7.066 9.921 ( 5.777 4.897 1.793) 7.783 10.070 ( 4.543 2.249 1.350) 5.246 10.364 ( 3.879 4.748 -0.122) 6.132 10.483 ( -3.030 2.593 -5.781) 7.024 10.665 ( 6.820 -1.232 8.062) 10.632 10.935 ( 5.747 -12.153 -0.664) 13.460 10.998 ( -5.474 -0.257 0.365) 5.492 11.250 ( -2.256 -7.290 1.011) 7.698 11.850 ( 1.263 3.452 -0.635) 3.730 12.006 ( -0.398 3.357 3.083) 4.575 12.213 ( 0.035 -10.167 -0.547) 10.182 12.309 ( 1.304 -8.448 3.172) 9.118 13.425 ( -2.800 -0.030 -1.453) 3.155 13.503 ( -1.359 -3.280 -3.888) 5.265 14.253 ( -1.407 4.478 2.922) 5.529 14.437 ( -0.036 -4.027 0.042) 4.027 14.652 ( -1.978 3.531 -0.227) 4.053 14.754 ( -1.945 -1.234 -1.372) 2.681 16.685 ( 0.029 0.799 -0.397) 0.892 16.690 ( -0.076 0.533 -0.362) 0.648 19.275 ( -0.119 13.012 1.024) 13.053 19.505 ( -0.624 5.022 -4.676) 6.890 19.888 ( 1.115 0.270 -2.389) 2.650 19.999 ( 0.064 -4.779 -1.997) 5.180 20.194 ( -0.142 2.051 1.848) 2.765 20.304 ( -0.368 -2.034 -0.880) 2.247 20.721 ( 0.265 2.045 4.728) 5.158 20.826 ( 0.475 -2.496 4.729) 5.368 21.192 ( -2.471 2.313 -2.498) 4.207 21.211 ( -1.172 1.625 -0.681) 2.116 22.210 ( 0.622 1.890 -0.083) 1.992 22.388 ( 0.116 -7.158 -2.873) 7.714 22.528 ( 1.078 0.016 -1.032) 1.492 22.588 ( 0.140 -1.362 -2.341) 2.712 22.703 ( 0.298 0.346 0.066) 0.461 22.788 ( 0.477 -1.031 -1.798) 2.126 23.280 ( -0.445 8.285 11.307) 14.024 23.516 ( 0.906 -4.239 5.783) 7.227 24.229 ( 0.363 4.752 -4.088) 6.279 24.377 ( 1.078 -1.515 -2.308) 2.964 25.541 ( 0.464 4.592 0.872) 4.697 25.634 ( 1.587 -0.158 -2.574) 3.028 25.838 ( -2.780 6.213 6.353) 9.310 26.185 ( -0.377 -10.463 1.592) 10.590 26.569 ( -0.245 9.072 -0.748) 9.106 26.937 ( 2.026 -10.839 -6.465) 12.782 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -0.928 17.141 7.031) 18.550 2.919 ( -6.362 5.271 -4.003) 9.181 2.986 ( -3.141 8.494 -6.279) 11.020 3.128 ( -5.220 -0.731 -4.041) 6.641 3.203 ( -0.763 -1.196 -2.956) 3.279 3.310 ( 0.876 -7.843 2.697) 8.340 3.483 ( 3.839 3.379 -6.487) 8.261 3.681 ( -0.181 -0.071 -3.104) 3.110 3.773 ( -1.921 0.315 -2.253) 2.977 3.859 ( 2.789 6.380 3.969) 8.015 3.908 ( -9.229 1.810 -1.851) 9.585 4.039 ( 2.692 0.420 2.829) 3.928 4.186 ( 8.026 5.148 2.734) 9.919 4.379 ( -1.333 -7.597 3.652) 8.534 4.476 ( 3.375 -8.217 2.708) 9.287 4.640 ( -2.056 -4.734 -8.843) 10.238 4.672 ( -1.673 -4.345 1.197) 4.808 4.851 ( -8.459 6.393 4.361) 11.465 5.042 ( -1.248 -9.301 -0.732) 9.413 5.140 ( -1.912 3.883 -4.715) 6.400 5.210 ( -1.670 -1.370 8.196) 8.476 5.307 ( 2.804 -7.588 -3.450) 8.795 5.507 ( -7.916 -8.068 6.672) 13.126 5.581 ( -7.147 3.755 -1.660) 8.242 5.665 ( -5.488 -1.802 -0.461) 5.795 5.735 ( 0.584 -3.363 0.987) 3.554 5.839 ( -2.243 4.942 1.748) 5.702 5.937 ( -5.461 -1.325 3.755) 6.758 6.008 ( 10.981 2.421 -5.852) 12.677 6.211 ( 5.170 -1.331 1.542) 5.557 6.400 ( -11.115 0.155 -0.293) 11.120 6.520 ( -7.511 -0.562 0.985) 7.596 6.626 ( 3.985 -0.568 -0.202) 4.030 6.723 ( 3.855 -3.880 0.087) 5.470 7.056 ( 3.445 1.204 1.014) 3.787 7.121 ( -1.380 -1.267 3.970) 4.390 7.318 ( 4.949 2.766 6.959) 8.976 7.324 ( 2.049 4.263 -1.562) 4.981 7.523 ( 12.643 4.126 2.819) 13.595 7.613 ( -1.783 -0.978 2.577) 3.282 7.682 ( 8.457 -3.622 -0.215) 9.203 7.741 ( 6.898 -1.812 3.516) 7.951 7.882 ( -1.625 5.360 -7.581) 9.426 8.065 ( 3.500 -2.416 -4.812) 6.422 8.521 ( 1.122 8.640 -7.908) 11.766 8.689 ( 3.475 0.477 -9.122) 9.773 9.188 ( -2.094 5.603 5.833) 8.355 9.255 ( -0.069 4.541 1.130) 4.680 9.475 ( -0.232 7.194 -0.343) 7.206 9.712 ( -0.008 -3.306 -4.154) 5.309 9.995 ( 2.527 8.459 1.900) 9.030 10.121 ( -1.346 3.478 1.894) 4.182 10.323 ( -7.164 1.276 -1.421) 7.414 10.397 ( -4.557 -0.464 -2.843) 5.391 10.751 ( 0.525 -0.639 5.587) 5.647 10.878 ( -5.462 -3.295 -2.021) 6.691 11.071 ( 6.742 -7.041 3.310) 10.295 11.213 ( -0.867 -7.775 -0.847) 7.869 11.889 ( 2.323 3.248 0.572) 4.034 11.998 ( -0.582 3.015 1.490) 3.414 12.190 ( -2.473 -8.059 0.802) 8.468 12.298 ( -2.087 -10.218 2.061) 10.631 13.406 ( 1.207 0.258 -2.101) 2.436 13.512 ( 2.068 -3.670 -3.454) 5.448 14.244 ( 0.443 5.817 2.767) 6.457 14.456 ( 1.922 -4.192 0.430) 4.631 14.651 ( 1.825 3.160 -0.137) 3.652 14.750 ( 1.539 -1.459 -1.588) 2.649 16.686 ( 0.040 0.754 -0.353) 0.833 16.688 ( -0.082 0.625 -0.428) 0.762 19.275 ( 0.080 13.088 1.066) 13.132 19.501 ( 0.263 5.150 -4.750) 7.011 19.906 ( 0.645 -0.268 -2.160) 2.270 19.995 ( -0.399 -4.545 -2.531) 5.217 20.185 ( -0.698 2.080 2.418) 3.265 20.292 ( -0.788 -1.969 -1.096) 2.387 20.726 ( 0.084 2.127 4.584) 5.054 20.831 ( -0.078 -2.229 4.668) 5.173 21.190 ( 2.118 2.765 -1.885) 3.960 21.238 ( 4.051 0.675 -0.615) 4.153 22.221 ( 0.354 1.568 0.399) 1.656 22.376 ( -1.344 -6.274 -3.581) 7.348 22.538 ( -0.051 -0.815 -0.594) 1.009 22.573 ( -1.664 -1.178 -2.717) 3.397 22.702 ( -0.369 0.366 0.085) 0.526 22.775 ( -1.610 -1.077 -1.960) 2.756 23.269 ( -0.713 8.861 10.707) 13.917 23.537 ( 1.023 -5.325 6.450) 8.426 24.235 ( 0.287 4.824 -4.006) 6.277 24.386 ( -0.227 -1.376 -2.056) 2.485 25.540 ( -0.585 5.149 0.639) 5.221 25.662 ( 1.007 -1.071 -2.537) 2.932 25.798 ( -0.787 7.249 5.568) 9.174 26.169 ( -1.452 -12.318 2.368) 12.627 26.563 ( -0.234 10.640 -1.696) 10.777 26.950 ( -0.648 -10.767 -5.764) 12.230 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -1.895 19.303 5.643) 20.200 2.783 ( -6.449 11.893 -4.557) 14.276 2.893 ( -3.605 14.705 4.329) 15.747 2.970 ( -8.271 2.286 -6.804) 10.951 3.248 ( 2.301 -14.813 1.518) 15.067 3.363 ( 2.783 -6.458 1.901) 7.285 3.531 ( 3.348 -0.261 -3.541) 4.880 3.654 ( -1.973 -1.318 -5.430) 5.926 3.738 ( -1.510 0.635 0.188) 1.649 3.811 ( -2.649 4.196 -2.438) 5.529 3.944 ( 5.587 4.941 -4.166) 8.543 4.119 ( 3.319 -5.958 2.027) 7.115 4.265 ( -1.711 -1.346 5.535) 5.948 4.314 ( -6.306 -10.079 1.769) 12.020 4.474 ( -3.526 -4.786 -0.977) 6.024 4.567 ( -3.801 -11.122 -3.403) 12.236 4.645 ( -8.035 1.799 2.952) 8.747 4.697 ( 1.309 7.034 1.449) 7.300 4.892 ( -6.165 3.724 -5.963) 9.351 5.042 ( -17.927 -7.593 7.581) 20.893 5.152 ( -3.004 1.917 5.723) 6.742 5.282 ( -1.071 5.653 1.359) 5.912 5.367 ( -11.052 6.004 5.568) 13.755 5.392 ( 0.493 -6.621 3.320) 7.424 5.537 ( -6.220 5.465 -6.843) 10.742 5.726 ( -4.232 -2.848 -3.024) 5.930 5.819 ( 1.617 -0.056 0.483) 1.688 5.874 ( -3.239 -1.707 0.173) 3.666 6.038 ( -5.989 -1.778 -4.911) 7.946 6.168 ( -5.906 -1.320 -0.477) 6.070 6.257 ( -1.188 3.949 -1.009) 4.246 6.469 ( 1.207 -3.520 -2.791) 4.652 6.718 ( -3.322 -2.120 -0.861) 4.034 6.782 ( 2.241 -4.080 4.861) 6.731 7.027 ( 1.447 5.618 0.235) 5.806 7.261 ( 4.215 -4.559 -1.312) 6.346 7.331 ( 7.228 2.554 5.346) 9.346 7.480 ( 12.461 -3.104 3.139) 13.220 7.698 ( 10.130 3.181 0.275) 10.622 7.825 ( 12.923 -0.469 4.584) 13.720 7.879 ( 8.248 5.032 -7.119) 12.001 7.998 ( 15.766 -0.040 1.215) 15.813 8.016 ( 14.966 1.712 2.772) 15.316 8.148 ( 4.355 -5.148 -6.500) 9.366 8.535 ( 0.614 8.483 -5.915) 10.360 8.742 ( 1.552 -2.063 -5.477) 6.055 9.098 ( -2.572 7.571 5.328) 9.609 9.277 ( -0.798 0.153 2.764) 2.881 9.487 ( -0.178 7.013 -1.574) 7.190 9.728 ( 1.248 -2.916 -1.369) 3.455 9.978 ( -10.326 0.315 -0.821) 10.363 10.028 ( -1.146 2.747 -1.747) 3.451 10.160 ( -6.017 4.553 -0.776) 7.585 10.338 ( -2.533 0.808 3.113) 4.094 10.688 ( -5.580 -0.709 0.984) 5.711 10.771 ( -5.449 -2.587 -2.138) 6.400 11.183 ( 3.854 -3.506 1.487) 5.419 11.237 ( 3.239 -6.711 3.260) 8.134 11.924 ( 0.950 2.040 -0.449) 2.295 11.971 ( -2.415 2.228 -0.837) 3.390 12.120 ( -4.241 -5.702 3.470) 7.908 12.247 ( -2.633 -11.413 1.588) 11.820 13.463 ( 3.877 -0.615 -2.016) 4.413 13.568 ( 3.272 -3.965 -3.070) 5.987 14.275 ( 2.643 6.532 2.443) 7.458 14.510 ( 3.451 -4.655 0.345) 5.805 14.714 ( 4.106 3.260 0.074) 5.243 14.806 ( 3.794 -1.066 -1.615) 4.259 16.686 ( -0.014 0.771 -0.463) 0.899 16.687 ( 0.030 0.635 -0.391) 0.746 19.277 ( 0.105 13.254 1.303) 13.319 19.513 ( 0.959 5.119 -4.799) 7.082 19.908 ( -0.527 -1.251 -2.490) 2.836 19.986 ( -0.354 -4.318 -2.426) 4.966 20.171 ( -0.671 2.156 3.347) 4.037 20.278 ( -0.468 -1.960 -0.722) 2.141 20.726 ( -0.073 2.339 4.069) 4.694 20.826 ( -0.366 -1.862 4.538) 4.918 21.261 ( 4.544 3.457 -2.097) 6.083 21.365 ( 8.445 -1.165 -2.013) 8.759 22.220 ( -0.519 1.070 -0.261) 1.218 22.333 ( -2.893 -3.886 -3.402) 5.920 22.519 ( -3.192 -1.274 -1.022) 3.586 22.531 ( -1.019 -0.425 -1.149) 1.594 22.690 ( -0.817 -0.098 -0.510) 0.968 22.736 ( -2.001 -1.741 -1.246) 2.930 23.259 ( -0.375 9.186 10.118) 13.671 23.553 ( 0.449 -6.170 6.435) 8.926 24.238 ( -0.022 4.619 -3.753) 5.952 24.369 ( -1.362 -0.740 -1.793) 2.370 25.519 ( -1.397 4.750 0.752) 5.008 25.659 ( -1.262 -1.847 -1.141) 2.512 25.828 ( 3.629 6.339 2.975) 7.887 26.126 ( -2.797 -11.406 3.019) 12.125 26.561 ( 0.035 10.900 -2.396) 11.160 26.913 ( -2.828 -8.637 -4.452) 10.120 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -0.561 19.344 8.910) 21.305 2.684 ( -2.720 11.972 -4.002) 12.913 2.806 ( -6.373 8.621 -4.024) 11.451 2.920 ( 5.205 12.488 10.052) 16.854 3.291 ( 1.801 -14.907 2.006) 15.149 3.400 ( 1.475 -2.838 0.100) 3.200 3.620 ( 2.345 -4.736 -2.867) 6.012 3.642 ( 3.087 -4.049 -1.434) 5.290 3.719 ( -6.533 1.993 -2.145) 7.159 3.739 ( -0.199 0.674 1.640) 1.784 3.984 ( -3.570 -0.954 -6.255) 7.265 4.088 ( -3.696 2.819 -0.227) 4.654 4.139 ( -6.540 -11.855 0.931) 13.571 4.248 ( -2.168 -1.662 2.413) 3.645 4.385 ( -5.336 -8.430 -6.527) 11.922 4.440 ( -4.281 4.757 3.713) 7.398 4.542 ( -2.958 -11.008 3.907) 12.050 4.624 ( -9.753 -6.672 2.524) 12.083 4.843 ( 4.357 7.621 1.988) 9.001 4.887 ( -1.475 6.919 0.867) 7.127 5.039 ( -6.576 7.162 5.676) 11.258 5.204 ( -6.194 0.564 7.228) 9.536 5.287 ( -2.007 9.119 -2.164) 9.585 5.345 ( -1.513 5.793 1.084) 6.085 5.480 ( 1.377 0.858 -5.773) 5.997 5.674 ( -1.362 -5.331 -6.535) 8.543 5.757 ( -7.407 2.149 -5.659) 9.566 5.830 ( 1.113 -3.472 2.502) 4.422 6.004 ( 1.171 -3.580 -6.827) 7.798 6.073 ( -2.973 -2.646 -3.998) 5.642 6.248 ( -1.269 5.721 0.111) 5.861 6.468 ( -1.617 1.591 -0.573) 2.340 6.596 ( -6.442 -3.869 -4.431) 8.723 6.748 ( -1.465 -6.122 5.864) 8.603 7.131 ( 3.603 1.716 1.123) 4.146 7.218 ( -1.561 0.663 -0.455) 1.756 7.620 ( 11.640 -0.798 -2.592) 11.952 7.743 ( 13.386 -4.479 -0.794) 14.138 7.917 ( 8.581 3.110 7.184) 11.615 7.972 ( 7.791 1.146 3.266) 8.525 8.090 ( 7.874 -1.854 -3.916) 8.988 8.170 ( 2.390 -4.013 -2.565) 5.329 8.261 ( 10.530 4.171 3.635) 11.895 8.327 ( 10.365 0.461 2.280) 10.623 8.592 ( 6.281 5.461 -2.256) 8.624 8.753 ( 0.246 -2.194 -2.555) 3.376 9.100 ( -0.403 6.107 1.127) 6.223 9.220 ( -5.360 -0.139 2.636) 5.975 9.387 ( -6.854 5.402 -2.567) 9.097 9.744 ( -1.226 -7.883 -0.658) 8.005 9.823 ( -3.097 2.309 1.951) 4.327 9.970 ( -3.053 -2.972 -2.229) 4.808 10.118 ( -0.252 7.815 -3.020) 8.381 10.265 ( -4.648 1.249 3.033) 5.689 10.591 ( -2.514 0.413 -1.585) 3.000 10.680 ( -3.652 -2.646 -2.213) 5.024 11.231 ( 1.323 -0.015 1.571) 2.054 11.303 ( 2.521 -4.538 5.385) 7.479 11.897 ( -3.786 2.344 -2.517) 5.115 11.941 ( 0.268 -1.207 -1.554) 1.986 12.047 ( -2.659 -4.401 5.654) 7.643 12.202 ( -1.945 -10.731 1.569) 11.018 13.526 ( 1.973 -1.070 -0.910) 2.421 13.631 ( 2.992 -4.910 -3.934) 6.966 14.340 ( 3.419 6.054 3.016) 7.579 14.577 ( 2.706 -5.114 -0.376) 5.798 14.792 ( 3.271 3.520 0.342) 4.818 14.881 ( 3.286 -0.628 -1.683) 3.744 16.685 ( 0.004 0.743 -0.440) 0.864 16.688 ( 0.066 0.639 -0.497) 0.812 19.278 ( -0.032 13.421 1.594) 13.516 19.532 ( 0.945 4.965 -4.794) 6.966 19.889 ( -1.169 -1.689 -2.789) 3.464 19.984 ( 0.133 -4.590 -1.981) 5.001 20.161 ( -0.392 2.368 3.741) 4.445 20.274 ( 0.063 -2.158 -0.182) 2.167 20.726 ( 0.031 2.404 3.960) 4.633 20.819 ( -0.365 -1.673 4.563) 4.874 21.345 ( 3.400 4.391 -2.788) 6.214 21.542 ( 8.256 -4.472 -6.187) 11.245 22.194 ( -1.985 1.669 -1.758) 3.133 22.275 ( -2.468 0.026 -0.387) 2.498 22.450 ( -3.026 -0.395 0.198) 3.058 22.516 ( -0.518 -2.143 -0.926) 2.391 22.670 ( -1.028 0.410 -0.692) 1.305 22.707 ( -0.857 -3.016 -1.031) 3.301 23.258 ( 0.156 9.073 9.988) 13.495 23.553 ( -0.564 -6.169 5.690) 8.411 24.234 ( -0.286 4.322 -3.544) 5.597 24.339 ( -1.446 -0.032 -1.680) 2.217 25.492 ( -1.123 3.864 1.067) 4.163 25.626 ( -1.714 -1.948 -1.046) 2.797 25.920 ( 4.723 2.446 1.441) 5.510 26.073 ( -1.904 -7.363 4.133) 8.656 26.563 ( 0.134 9.848 -2.410) 10.140 26.847 ( -3.412 -5.360 -3.559) 7.282 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 3.079 -6.170 7.185) 9.959 2.723 ( 3.079 6.170 7.185) 9.959 2.976 ( -1.113 -16.018 0.903) 16.082 2.976 ( -1.113 16.018 0.903) 16.082 3.369 ( 4.944 -15.626 -0.829) 16.410 3.369 ( 4.944 15.626 -0.829) 16.410 3.544 ( -1.857 -5.098 1.373) 5.597 3.544 ( -1.857 5.098 1.373) 5.597 3.655 ( 0.034 -5.669 2.034) 6.023 3.655 ( 0.034 5.669 2.034) 6.023 3.935 ( -3.590 -4.043 -2.341) 5.892 3.935 ( -3.590 4.043 -2.341) 5.892 4.179 ( 0.835 -6.982 -0.362) 7.041 4.179 ( 0.835 6.982 -0.362) 7.041 4.300 ( 2.526 -3.222 -3.394) 5.318 4.300 ( 2.526 3.222 -3.394) 5.318 4.509 ( 2.599 -1.565 6.474) 7.150 4.509 ( 2.599 1.565 6.474) 7.150 4.912 ( -4.115 -5.115 -2.585) 7.055 4.912 ( -4.115 5.115 -2.585) 7.055 5.050 ( -4.392 -4.945 3.425) 7.449 5.050 ( -4.392 4.945 3.425) 7.449 5.417 ( -4.238 -7.043 -4.824) 9.530 5.417 ( -4.238 7.043 -4.824) 9.530 5.552 ( 4.463 -6.986 -0.340) 8.297 5.552 ( 4.463 6.986 -0.340) 8.297 5.800 ( 2.483 -5.631 1.675) 6.378 5.800 ( 2.483 5.631 1.675) 6.378 5.993 ( 2.126 -3.572 -9.945) 10.779 5.993 ( 2.126 3.572 -9.945) 10.779 6.341 ( -3.976 -10.537 -0.922) 11.300 6.341 ( -3.976 10.537 -0.922) 11.300 6.573 ( -1.629 -8.675 2.730) 9.240 6.573 ( -1.629 8.675 2.730) 9.240 7.194 ( 0.171 -2.563 -2.024) 3.271 7.194 ( 0.171 2.563 -2.024) 3.271 7.749 ( -2.422 -5.405 -5.369) 7.994 7.749 ( -2.422 5.405 -5.369) 7.994 8.053 ( 2.396 -2.833 6.202) 7.227 8.053 ( 2.396 2.833 6.202) 7.227 8.243 ( 6.953 -2.103 3.696) 8.150 8.243 ( 6.953 2.103 3.696) 8.150 8.425 ( -0.455 -0.349 2.978) 3.033 8.425 ( -0.455 0.349 2.978) 3.033 8.747 ( 0.906 -0.804 0.002) 1.211 8.747 ( 0.906 0.804 0.002) 1.211 9.045 ( -6.150 -0.904 -4.649) 7.762 9.045 ( -6.150 0.904 -4.649) 7.762 9.558 ( 3.864 -7.165 2.212) 8.436 9.558 ( 3.864 7.165 2.212) 8.436 9.848 ( -3.105 -4.539 0.941) 5.580 9.848 ( -3.105 4.539 0.941) 5.580 10.198 ( 0.586 -2.922 -4.279) 5.214 10.198 ( 0.586 2.922 -4.279) 5.214 10.605 ( 0.109 -0.455 -0.217) 0.516 10.605 ( 0.109 0.455 -0.217) 0.516 11.272 ( -0.409 -2.271 2.391) 3.322 11.272 ( -0.409 2.271 2.391) 3.322 11.892 ( -0.001 -4.133 -1.127) 4.284 11.892 ( -0.001 4.133 -1.127) 4.284 12.033 ( 0.610 -4.492 4.035) 6.069 12.033 ( 0.610 4.492 4.035) 6.069 13.574 ( 0.278 -3.397 -2.720) 4.361 13.574 ( 0.278 3.397 -2.720) 4.361 14.488 ( -0.496 -5.339 1.704) 5.626 14.488 ( -0.496 5.339 1.704) 5.626 14.891 ( 0.282 -2.364 -0.902) 2.546 14.891 ( 0.282 2.364 -0.902) 2.546 16.695 ( 0.008 -0.113 -0.367) 0.384 16.695 ( 0.008 0.113 -0.367) 0.384 19.511 ( -0.039 -8.467 0.204) 8.470 19.511 ( -0.039 8.467 0.204) 8.470 19.887 ( -0.044 -4.209 -4.823) 6.401 19.887 ( -0.044 4.209 -4.823) 6.401 20.223 ( 0.336 -3.276 2.884) 4.377 20.223 ( 0.336 3.276 2.884) 4.377 20.774 ( -0.269 -2.243 4.396) 4.942 20.774 ( -0.269 2.243 4.396) 4.942 21.479 ( -1.109 -6.158 -6.990) 9.381 21.479 ( -1.109 6.158 -6.990) 9.381 22.254 ( 1.172 -1.154 0.859) 1.855 22.254 ( 1.172 1.154 0.859) 1.855 22.438 ( -0.035 -2.962 -0.657) 3.034 22.438 ( -0.035 2.962 -0.657) 3.034 22.667 ( 0.013 -0.399 -0.575) 0.700 22.667 ( 0.013 0.399 -0.575) 0.700 23.420 ( -0.245 -6.600 7.833) 10.245 23.420 ( -0.245 6.600 7.833) 10.245 24.295 ( -0.373 -2.461 -3.583) 4.363 24.295 ( -0.373 2.461 -3.583) 4.363 25.545 ( -0.470 -3.150 -0.561) 3.234 25.545 ( -0.470 3.150 -0.561) 3.234 26.003 ( 1.495 -3.795 4.886) 6.365 26.003 ( 1.495 3.795 4.886) 6.365 26.710 ( -0.581 -5.752 -3.836) 6.938 26.710 ( -0.581 5.752 -3.836) 6.938 ======================= Grid point 114 (61/108) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 5.004 -6.587 5.430) 9.895 2.817 ( 5.004 6.587 5.430) 9.895 2.929 ( -2.850 -13.329 -0.174) 13.631 2.929 ( -2.850 13.329 -0.174) 13.631 3.406 ( -0.108 -10.309 5.316) 11.600 3.406 ( -0.108 10.309 5.316) 11.600 3.574 ( 5.234 -6.013 -0.949) 8.028 3.574 ( 5.234 6.013 -0.949) 8.028 3.762 ( 6.805 -4.275 -4.297) 9.113 3.762 ( 6.805 4.275 -4.297) 9.113 3.885 ( 0.859 -4.867 2.327) 5.463 3.885 ( 0.859 4.867 2.327) 5.463 4.202 ( 0.201 -10.641 0.660) 10.664 4.202 ( 0.201 10.641 0.660) 10.664 4.394 ( 5.128 -2.444 -4.955) 7.538 4.394 ( 5.128 2.444 -4.955) 7.538 4.606 ( 8.179 -0.583 7.281) 10.966 4.606 ( 8.179 0.583 7.281) 10.966 4.791 ( -6.472 -12.104 -2.707) 13.990 4.791 ( -6.472 12.104 -2.707) 13.990 5.032 ( 2.245 -3.278 0.150) 3.976 5.032 ( 2.245 3.278 0.150) 3.976 5.323 ( -2.880 -2.179 -4.176) 5.521 5.323 ( -2.880 2.179 -4.176) 5.521 5.658 ( 4.469 -4.795 1.095) 6.646 5.658 ( 4.469 4.795 1.095) 6.646 5.839 ( 0.181 -4.371 0.777) 4.443 5.839 ( 0.181 4.371 0.777) 4.443 6.060 ( 4.584 -6.040 -5.683) 9.475 6.060 ( 4.584 6.040 -5.683) 9.475 6.328 ( 3.385 -13.191 -2.525) 13.851 6.328 ( 3.385 13.191 -2.525) 13.851 6.513 ( -3.730 -8.029 1.425) 8.967 6.513 ( -3.730 8.029 1.425) 8.967 7.205 ( 0.931 -3.480 -0.805) 3.691 7.205 ( 0.931 3.480 -0.805) 3.691 7.602 ( -11.681 -2.863 -2.461) 12.276 7.602 ( -11.681 2.863 -2.461) 12.276 8.039 ( -3.344 -3.103 6.390) 7.852 8.039 ( -3.344 3.103 6.390) 7.852 8.273 ( -9.660 -2.438 -0.151) 9.964 8.273 ( -9.660 2.438 -0.151) 9.964 8.330 ( -5.265 -4.677 3.683) 7.948 8.330 ( -5.265 4.677 3.683) 7.948 8.671 ( -4.394 -6.132 -3.389) 8.270 8.671 ( -4.394 6.132 -3.389) 8.270 9.054 ( 4.133 -5.885 -0.668) 7.223 9.054 ( 4.133 5.885 -0.668) 7.223 9.654 ( 5.655 -4.661 -0.700) 7.362 9.654 ( 5.655 4.661 -0.700) 7.362 9.814 ( -0.119 -5.485 0.703) 5.531 9.814 ( -0.119 5.485 0.703) 5.531 10.252 ( 4.797 -7.090 -1.505) 8.692 10.252 ( 4.797 7.090 -1.505) 8.692 10.628 ( 1.971 -3.302 -1.075) 3.993 10.628 ( 1.971 3.302 -1.075) 3.993 11.232 ( -3.275 -3.706 2.054) 5.355 11.232 ( -3.275 3.706 2.054) 5.355 11.922 ( 2.255 -7.651 -0.589) 7.999 11.922 ( 2.255 7.651 -0.589) 7.999 12.063 ( 2.444 -4.725 3.907) 6.600 12.063 ( 2.444 4.725 3.907) 6.600 13.559 ( -1.763 -3.043 -2.755) 4.468 13.559 ( -1.763 3.043 -2.755) 4.468 14.444 ( -3.460 -4.195 1.502) 5.642 14.444 ( -3.460 4.195 1.502) 5.642 14.862 ( -3.018 -2.459 -0.744) 3.963 14.862 ( -3.018 2.459 -0.744) 3.963 16.695 ( 0.002 -0.109 -0.354) 0.371 16.695 ( 0.002 0.109 -0.354) 0.371 19.508 ( -0.319 -8.260 -0.002) 8.266 19.508 ( -0.319 8.260 -0.002) 8.266 19.889 ( 0.345 -4.402 -4.682) 6.436 19.889 ( 0.345 4.402 -4.682) 6.436 20.234 ( 0.736 -3.344 2.712) 4.368 20.234 ( 0.736 3.344 2.712) 4.368 20.769 ( -0.277 -2.261 4.407) 4.961 20.769 ( -0.277 2.261 4.407) 4.961 21.405 ( -5.479 -3.893 -5.782) 8.866 21.405 ( -5.479 3.893 -5.782) 8.866 22.266 ( -0.022 -3.102 -0.033) 3.102 22.266 ( -0.022 3.102 -0.033) 3.102 22.475 ( 3.038 -2.774 -0.685) 4.171 22.475 ( 3.038 2.774 -0.685) 4.171 22.681 ( 1.511 -0.748 -0.556) 1.775 22.681 ( 1.511 0.748 -0.556) 1.775 23.417 ( -0.160 -5.799 8.020) 9.898 23.417 ( -0.160 5.799 8.020) 9.898 24.294 ( 0.283 -2.669 -3.858) 4.700 24.294 ( 0.283 2.669 -3.858) 4.700 25.550 ( 0.970 -2.523 -0.804) 2.820 25.550 ( 0.970 2.523 -0.804) 2.820 26.024 ( 0.376 -6.117 5.629) 8.321 26.024 ( 0.376 6.117 5.629) 8.321 26.709 ( 0.594 -5.925 -4.320) 7.356 26.709 ( 0.594 5.925 -4.320) 7.356 ======================= Grid point 116 (62/108) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -1.553 -13.669 4.057) 14.343 2.844 ( -1.553 13.669 4.057) 14.343 2.945 ( 4.292 -5.652 -3.463) 7.897 2.945 ( 4.292 5.652 -3.463) 7.897 3.410 ( -0.849 -3.989 1.777) 4.449 3.410 ( -0.849 3.989 1.777) 4.449 3.641 ( 1.381 -3.243 2.132) 4.120 3.641 ( 1.381 3.243 2.132) 4.120 3.872 ( 5.780 -7.267 -3.593) 9.956 3.872 ( 5.780 7.267 -3.593) 9.956 3.958 ( 2.530 -9.027 -0.409) 9.384 3.958 ( 2.530 9.027 -0.409) 9.384 4.176 ( -2.818 -7.813 -1.364) 8.417 4.176 ( -2.818 7.813 -1.364) 8.417 4.453 ( 1.100 -12.176 1.291) 12.294 4.453 ( 1.100 12.176 1.291) 12.294 4.728 ( 2.914 -5.942 -2.371) 7.030 4.728 ( 2.914 5.942 -2.371) 7.030 4.831 ( 11.306 -5.812 4.002) 13.328 4.831 ( 11.306 5.812 4.002) 13.328 5.107 ( 4.240 -2.254 -0.104) 4.803 5.107 ( 4.240 2.254 -0.104) 4.803 5.369 ( 8.996 -5.992 -0.975) 10.853 5.369 ( 8.996 5.992 -0.975) 10.853 5.703 ( -0.268 -2.230 -0.781) 2.378 5.703 ( -0.268 2.230 -0.781) 2.378 5.786 ( -4.609 -4.383 -0.805) 6.411 5.786 ( -4.609 4.383 -0.805) 6.411 6.160 ( 4.356 -3.780 2.505) 6.288 6.160 ( 4.356 3.780 2.505) 6.288 6.447 ( 6.886 -11.899 0.324) 13.752 6.447 ( 6.886 11.899 0.324) 13.752 6.480 ( 1.720 -7.026 -4.609) 8.577 6.480 ( 1.720 7.026 -4.609) 8.577 7.225 ( 0.968 -2.031 -0.443) 2.293 7.225 ( 0.968 2.031 -0.443) 2.293 7.334 ( -13.331 -2.489 2.508) 13.791 7.334 ( -13.331 2.489 2.508) 13.791 7.908 ( -14.551 -2.025 3.484) 15.099 7.908 ( -14.551 2.025 3.484) 15.099 7.971 ( -13.476 -3.963 3.972) 14.597 7.971 ( -13.476 3.963 3.972) 14.597 8.189 ( -8.034 -2.000 -1.914) 8.497 8.189 ( -8.034 2.000 -1.914) 8.497 8.629 ( -0.843 -3.890 -8.864) 9.717 8.629 ( -0.843 3.890 -8.864) 9.717 9.149 ( 5.090 -7.695 3.070) 9.724 9.149 ( 5.090 7.695 3.070) 9.724 9.700 ( -1.311 -5.909 1.670) 6.279 9.700 ( -1.311 5.909 1.670) 6.279 9.893 ( 7.470 -4.310 -4.869) 9.904 9.893 ( 7.470 4.310 -4.869) 9.904 10.382 ( 7.696 -8.617 3.815) 12.167 10.382 ( 7.696 8.617 3.815) 12.167 10.665 ( 1.497 -6.857 -2.894) 7.592 10.665 ( 1.497 6.857 -2.894) 7.592 11.160 ( -3.826 -5.758 1.570) 7.090 11.160 ( -3.826 5.758 1.570) 7.090 11.955 ( 0.983 -8.887 1.188) 9.020 11.955 ( 0.983 8.887 1.188) 9.020 12.121 ( 2.812 -5.728 2.566) 6.877 12.121 ( 2.812 5.728 2.566) 6.877 13.507 ( -3.202 -2.066 -3.096) 4.910 13.507 ( -3.202 2.066 -3.096) 4.910 14.377 ( -2.834 -4.112 1.652) 5.260 14.377 ( -2.834 4.112 1.652) 5.260 14.786 ( -4.203 -2.553 -0.781) 4.979 14.786 ( -4.203 2.553 -0.781) 4.979 16.695 ( 0.001 -0.135 -0.331) 0.358 16.695 ( 0.001 0.135 -0.331) 0.358 19.500 ( -0.460 -7.642 -0.374) 7.665 19.500 ( -0.460 7.642 -0.374) 7.665 19.899 ( 0.618 -4.033 -4.577) 6.132 19.899 ( 0.618 4.033 -4.577) 6.132 20.248 ( 0.511 -3.299 2.345) 4.080 20.248 ( 0.511 3.299 2.345) 4.080 20.766 ( 0.023 -2.520 4.484) 5.144 20.766 ( 0.023 2.520 4.484) 5.144 21.293 ( -5.172 -1.258 -3.459) 6.348 21.293 ( -5.172 1.258 -3.459) 6.348 22.265 ( 0.095 -4.408 -1.099) 4.544 22.265 ( 0.095 4.408 -1.099) 4.544 22.524 ( 1.653 -2.214 -0.792) 2.874 22.524 ( 1.653 2.214 -0.792) 2.874 22.722 ( 2.208 -2.324 -0.902) 3.330 22.722 ( 2.208 2.324 -0.902) 3.330 23.417 ( 0.056 -5.409 8.407) 9.997 23.417 ( 0.056 5.409 8.407) 9.997 24.304 ( 0.760 -3.366 -4.153) 5.399 24.304 ( 0.760 3.366 -4.153) 5.399 25.577 ( 1.565 -2.149 -1.268) 2.945 25.577 ( 1.565 2.149 -1.268) 2.945 26.017 ( -1.145 -7.502 6.230) 9.819 26.017 ( -1.145 7.502 6.230) 9.819 26.729 ( 1.316 -7.377 -4.676) 8.833 26.729 ( 1.316 7.377 -4.676) 8.833 ======================= Grid point 118 (63/108) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.433 -12.746 4.467) 13.513 2.831 ( 0.433 12.746 4.467) 13.513 3.037 ( 4.771 -2.763 -4.621) 7.194 3.037 ( 4.771 2.763 -4.621) 7.194 3.334 ( -6.876 -1.650 -4.383) 8.319 3.334 ( -6.876 1.650 -4.383) 8.319 3.641 ( -1.584 -4.786 -0.579) 5.075 3.641 ( -1.584 4.786 -0.579) 5.075 3.886 ( -4.158 -9.842 -3.509) 11.245 3.886 ( -4.158 9.842 -3.509) 11.245 4.028 ( 4.633 -8.958 -1.200) 10.156 4.028 ( 4.633 8.958 -1.200) 10.156 4.160 ( 2.907 -5.041 5.212) 7.812 4.160 ( 2.907 5.041 5.212) 7.812 4.441 ( -1.700 -11.433 -0.649) 11.577 4.441 ( -1.700 11.433 -0.649) 11.577 4.803 ( 2.700 -7.214 -0.193) 7.705 4.803 ( 2.700 7.214 -0.193) 7.705 5.055 ( 9.141 -4.609 3.266) 10.745 5.055 ( 9.141 4.609 3.266) 10.745 5.170 ( 2.251 -5.352 -0.088) 5.807 5.170 ( 2.251 5.352 -0.088) 5.807 5.558 ( 0.426 -8.985 2.899) 9.451 5.558 ( 0.426 8.985 2.899) 9.451 5.700 ( -2.318 -3.110 -0.739) 3.949 5.700 ( -2.318 3.110 -0.739) 3.949 5.751 ( 12.402 -3.967 -2.913) 13.343 5.751 ( 12.402 3.967 -2.913) 13.343 6.155 ( -5.979 -3.178 1.019) 6.847 6.155 ( -5.979 3.178 1.019) 6.847 6.545 ( 2.360 -5.515 0.528) 6.022 6.545 ( 2.360 5.515 0.528) 6.022 6.576 ( 5.629 -3.946 -1.080) 6.959 6.576 ( 5.629 3.946 -1.080) 6.959 7.128 ( -5.437 -1.604 3.685) 6.761 7.128 ( -5.437 1.604 3.685) 6.761 7.290 ( 4.503 -2.787 1.781) 5.587 7.290 ( 4.503 2.787 1.781) 5.587 7.551 ( -13.047 -3.488 -0.732) 13.525 7.551 ( -13.047 3.488 -0.732) 13.525 7.784 ( -8.753 -2.132 7.445) 11.687 7.784 ( -8.753 2.132 7.445) 11.687 8.046 ( -5.815 -1.125 -4.630) 7.518 8.046 ( -5.815 1.125 -4.630) 7.518 8.626 ( 0.832 -3.236 -11.204) 11.692 8.626 ( 0.832 3.236 -11.204) 11.692 9.240 ( 3.679 -5.725 3.322) 7.573 9.240 ( 3.679 5.725 3.322) 7.573 9.653 ( -2.880 -5.998 -0.389) 6.665 9.653 ( -2.880 5.998 -0.389) 6.665 10.038 ( 6.656 -4.804 -0.778) 8.245 10.038 ( 6.656 4.804 -0.778) 8.245 10.475 ( -1.094 -4.431 -0.310) 4.575 10.475 ( -1.094 4.431 -0.310) 4.575 10.716 ( 4.995 -7.648 1.008) 9.189 10.716 ( 4.995 7.648 1.008) 9.189 11.088 ( -3.277 -7.716 0.069) 8.383 11.088 ( -3.277 7.716 0.069) 8.383 11.971 ( 0.895 -7.801 3.523) 8.606 11.971 ( 0.895 7.801 3.523) 8.606 12.153 ( 0.156 -5.942 0.703) 5.986 12.153 ( 0.156 5.943 0.703) 5.986 13.451 ( -1.898 -2.076 -3.582) 4.554 13.451 ( -1.898 2.076 -3.582) 4.554 14.345 ( -0.413 -4.766 2.253) 5.288 14.345 ( -0.413 4.766 2.253) 5.288 14.717 ( -2.206 -2.630 -1.113) 3.609 14.717 ( -2.206 2.630 -1.113) 3.609 16.695 ( -0.009 -0.126 -0.318) 0.342 16.695 ( -0.009 0.126 -0.318) 0.342 19.492 ( -0.246 -7.093 -0.635) 7.126 19.492 ( -0.246 7.093 -0.635) 7.126 19.910 ( 0.537 -3.367 -4.567) 5.699 19.910 ( 0.537 3.367 -4.567) 5.699 20.251 ( -0.266 -3.178 1.986) 3.757 20.251 ( -0.266 3.178 1.986) 3.757 20.771 ( 0.377 -2.788 4.756) 5.525 20.771 ( 0.377 2.788 4.756) 5.525 21.220 ( -1.798 -0.573 -2.051) 2.787 21.220 ( -1.798 0.573 -2.051) 2.787 22.270 ( 0.301 -4.393 -1.348) 4.605 22.270 ( 0.301 4.393 -1.348) 4.605 22.542 ( 0.313 -1.853 -0.809) 2.046 22.542 ( 0.313 1.853 -0.809) 2.046 22.752 ( 0.579 -2.780 -1.487) 3.205 22.752 ( 0.579 2.780 -1.487) 3.205 23.420 ( 0.125 -5.682 8.674) 10.370 23.420 ( 0.125 5.682 8.674) 10.370 24.319 ( 0.705 -4.028 -4.239) 5.890 24.319 ( 0.705 4.028 -4.239) 5.890 25.605 ( 1.176 -2.353 -1.736) 3.152 25.605 ( 1.176 2.353 -1.736) 3.152 25.986 ( -1.779 -8.616 6.489) 10.932 25.986 ( -1.779 8.616 6.489) 10.932 26.752 ( 0.949 -8.778 -4.727) 10.015 26.752 ( 0.949 8.778 -4.727) 10.015 ======================= Grid point 120 (64/108) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 1.737 -14.199 5.382) 15.284 2.856 ( 1.737 14.199 5.382) 15.284 3.107 ( -2.190 -7.274 -2.186) 7.905 3.107 ( -2.190 7.274 -2.186) 7.905 3.166 ( -4.884 -7.688 -7.506) 11.803 3.166 ( -4.884 7.688 -7.506) 11.803 3.594 ( -2.459 -7.469 -3.912) 8.782 3.594 ( -2.459 7.469 -3.912) 8.782 3.823 ( -1.785 -5.265 -1.963) 5.896 3.823 ( -1.785 5.265 -1.963) 5.896 4.074 ( 0.930 -12.554 0.922) 12.623 4.074 ( 0.930 12.554 0.922) 12.623 4.244 ( 2.737 -7.176 2.340) 8.028 4.244 ( 2.737 7.176 2.340) 8.029 4.408 ( -1.473 -6.138 -0.816) 6.365 4.408 ( -1.473 6.138 -0.816) 6.365 4.842 ( 1.999 -11.458 1.804) 11.770 4.842 ( 1.999 11.458 1.804) 11.770 5.048 ( -9.204 -11.253 4.637) 15.259 5.048 ( -9.204 11.253 4.637) 15.259 5.221 ( 1.726 -4.036 -1.170) 4.543 5.221 ( 1.726 4.036 -1.170) 4.543 5.500 ( -3.699 -8.902 1.847) 9.815 5.500 ( -3.699 8.902 1.847) 9.815 5.684 ( 0.080 -3.269 -3.582) 4.850 5.684 ( 0.080 3.269 -3.582) 4.850 5.918 ( -4.739 -1.994 2.344) 5.650 5.918 ( -4.739 1.994 2.344) 5.650 6.110 ( 6.797 -6.677 1.178) 9.601 6.110 ( 6.797 6.677 1.178) 9.601 6.463 ( -9.918 -4.603 -2.925) 11.318 6.463 ( -9.918 4.603 -2.925) 11.318 6.655 ( 4.565 -2.953 2.181) 5.858 6.655 ( 4.565 2.953 2.181) 5.858 7.087 ( 0.606 -1.859 1.953) 2.763 7.087 ( 0.606 1.859 1.953) 2.763 7.361 ( 2.109 -0.904 4.916) 5.425 7.361 ( 2.109 0.904 4.916) 5.425 7.567 ( 8.157 -2.881 -0.736) 8.682 7.567 ( 8.157 2.881 -0.736) 8.682 7.696 ( 6.508 -3.011 4.857) 8.661 7.696 ( 6.508 3.011 4.857) 8.661 7.988 ( 0.099 -4.938 -6.881) 8.470 7.988 ( 0.099 4.938 -6.881) 8.470 8.653 ( 1.562 -4.299 -9.272) 10.339 8.653 ( 1.562 4.299 -9.272) 10.339 9.271 ( -1.075 -2.257 3.688) 4.456 9.271 ( -1.075 2.257 3.688) 4.456 9.615 ( -0.170 -6.287 -1.295) 6.421 9.615 ( -0.170 6.287 -1.295) 6.421 10.129 ( 0.798 -3.457 1.595) 3.890 10.129 ( 0.798 3.457 1.595) 3.890 10.360 ( -7.540 -2.457 -2.779) 8.403 10.360 ( -7.540 2.457 -2.779) 8.403 10.795 ( 0.095 -4.319 2.471) 4.976 10.795 ( 0.095 4.319 2.471) 4.976 11.061 ( 1.953 -5.609 -0.668) 5.977 11.061 ( 1.953 5.609 -0.668) 5.977 11.996 ( 1.357 -6.378 4.699) 8.037 11.996 ( 1.357 6.378 4.699) 8.037 12.125 ( -2.884 -5.730 -0.586) 6.442 12.125 ( -2.884 5.730 -0.586) 6.442 13.445 ( 1.401 -3.000 -3.655) 4.932 13.445 ( 1.401 3.000 -3.655) 4.932 14.356 ( 1.428 -5.439 2.537) 6.169 14.356 ( 1.428 5.439 2.537) 6.169 14.711 ( 1.662 -2.564 -1.319) 3.328 14.711 ( 1.662 2.564 -1.319) 3.328 16.694 ( -0.011 -0.061 -0.325) 0.331 16.694 ( -0.011 0.061 -0.325) 0.331 19.492 ( 0.247 -6.953 -0.627) 6.985 19.492 ( 0.247 6.953 -0.627) 6.985 19.915 ( -0.085 -2.761 -4.684) 5.438 19.915 ( -0.085 2.762 -4.684) 5.438 20.241 ( -0.709 -3.049 2.090) 3.764 20.241 ( -0.709 3.049 2.090) 3.764 20.778 ( 0.189 -2.834 4.716) 5.505 20.778 ( 0.189 2.834 4.716) 5.505 21.230 ( 2.822 -1.261 -1.780) 3.567 21.230 ( 2.822 1.261 -1.780) 3.567 22.271 ( -0.217 -3.839 -1.319) 4.065 22.271 ( -0.217 3.839 -1.319) 4.065 22.538 ( -0.697 -1.228 -1.010) 1.736 22.538 ( -0.697 1.228 -1.010) 1.736 22.743 ( -1.297 -2.357 -1.452) 3.057 22.743 ( -1.297 2.357 -1.452) 3.057 23.423 ( 0.031 -6.469 8.600) 10.762 23.423 ( 0.031 6.469 8.600) 10.762 24.327 ( 0.110 -4.135 -4.038) 5.780 24.327 ( 0.110 4.135 -4.038) 5.780 25.618 ( -0.031 -3.103 -1.804) 3.590 25.618 ( -0.031 3.103 -1.804) 3.590 25.957 ( -1.068 -8.824 6.053) 10.753 25.957 ( -1.068 8.824 6.053) 10.753 26.761 ( -0.023 -9.148 -4.384) 10.144 26.761 ( -0.023 9.148 -4.384) 10.144 ======================= Grid point 122 (65/108) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -5.129 -15.005 4.865) 16.586 2.860 ( -5.129 15.005 4.865) 16.586 2.951 ( -2.925 -3.537 -2.979) 5.472 2.951 ( -2.925 3.537 -2.979) 5.472 3.206 ( 2.964 -9.362 -1.539) 9.940 3.206 ( 2.964 9.362 -1.539) 9.940 3.559 ( -0.967 -5.537 -2.785) 6.273 3.559 ( -0.967 5.537 -2.785) 6.273 3.805 ( -0.514 -3.320 -2.392) 4.124 3.805 ( -0.514 3.320 -2.392) 4.124 4.068 ( -2.338 -6.962 1.015) 7.414 4.068 ( -2.338 6.962 1.015) 7.414 4.241 ( -1.851 -5.693 -3.870) 7.128 4.241 ( -1.851 5.693 -3.870) 7.128 4.376 ( -1.798 -0.906 1.635) 2.594 4.376 ( -1.798 0.906 1.635) 2.594 4.749 ( -15.519 -7.750 4.128) 17.831 4.749 ( -15.519 7.750 4.128) 17.831 4.922 ( 2.140 -7.620 2.862) 8.417 4.922 ( 2.140 7.620 2.862) 8.417 5.246 ( 0.901 -6.064 1.789) 6.387 5.246 ( 0.901 6.064 1.789) 6.387 5.398 ( -5.818 -4.233 2.183) 7.519 5.398 ( -5.818 4.233 2.183) 7.519 5.644 ( -3.270 -4.912 -7.559) 9.590 5.644 ( -3.270 4.912 -7.559) 9.590 5.838 ( -3.768 -0.493 3.896) 5.442 5.838 ( -3.768 0.493 3.896) 5.442 6.090 ( -6.095 -6.007 -1.815) 8.748 6.090 ( -6.095 6.007 -1.815) 8.748 6.371 ( 1.388 -5.928 -1.286) 6.223 6.371 ( 1.388 5.928 -1.286) 6.223 6.717 ( -2.138 -2.069 2.128) 3.658 6.717 ( -2.138 2.069 2.128) 3.658 7.147 ( 4.237 -6.144 -0.164) 7.465 7.147 ( 4.237 6.144 -0.164) 7.465 7.402 ( 7.218 -4.169 3.233) 8.941 7.402 ( 7.218 4.169 3.233) 8.941 7.768 ( 12.539 -3.855 2.042) 13.277 7.768 ( 12.539 3.855 2.042) 13.277 7.983 ( 10.202 -3.802 -4.968) 11.967 7.983 ( 10.202 3.802 -4.968) 11.967 8.050 ( 10.813 -2.584 0.748) 11.143 8.050 ( 10.813 2.584 0.748) 11.143 8.672 ( 0.429 -5.128 -6.062) 7.952 8.672 ( 0.429 5.128 -6.062) 7.952 9.226 ( -2.152 -4.872 4.126) 6.737 9.226 ( -2.152 4.872 4.126) 6.737 9.631 ( -0.215 -6.674 -1.329) 6.809 9.631 ( -0.215 6.674 -1.329) 6.809 10.004 ( -9.755 -2.165 -1.902) 10.172 10.004 ( -9.755 2.165 -1.902) 10.172 10.291 ( -1.187 -5.538 1.730) 5.922 10.291 ( -1.187 5.538 1.730) 5.922 10.720 ( -5.738 -2.862 -0.974) 6.485 10.720 ( -5.738 2.862 -0.974) 6.485 11.150 ( 5.423 -1.195 1.418) 5.731 11.150 ( 5.423 1.195 1.418) 5.731 12.007 ( -1.295 -5.512 2.088) 6.035 12.007 ( -1.295 5.512 2.088) 6.035 12.054 ( -3.134 -6.916 1.291) 7.701 12.054 ( -3.134 6.916 1.291) 7.701 13.495 ( 3.154 -3.126 -3.264) 5.511 13.495 ( 3.154 3.126 -3.264) 5.511 14.400 ( 2.954 -6.063 2.223) 7.101 14.400 ( 2.954 6.063 2.223) 7.101 14.773 ( 4.127 -2.382 -1.180) 4.909 14.773 ( 4.127 2.382 -1.180) 4.909 16.694 ( 0.007 -0.032 -0.344) 0.345 16.694 ( 0.007 0.032 -0.344) 0.345 19.500 ( 0.514 -7.340 -0.338) 7.366 19.500 ( 0.514 7.340 -0.338) 7.366 19.906 ( -0.644 -2.764 -4.839) 5.610 19.906 ( -0.644 2.764 -4.839) 5.610 20.228 ( -0.548 -3.008 2.542) 3.977 20.228 ( -0.548 3.008 2.542) 3.977 20.780 ( -0.083 -2.707 4.382) 5.151 20.780 ( -0.083 2.707 4.382) 5.151 21.322 ( 6.027 -2.794 -2.721) 7.179 21.322 ( 6.027 2.794 -2.721) 7.179 22.259 ( -0.949 -3.003 -1.284) 3.402 22.259 ( -0.949 3.003 -1.284) 3.402 22.513 ( -1.873 -0.818 -1.108) 2.325 22.513 ( -1.873 0.818 -1.108) 2.325 22.709 ( -1.857 -1.491 -0.826) 2.521 22.709 ( -1.857 1.491 -0.826) 2.521 23.424 ( -0.048 -7.180 8.282) 10.961 23.424 ( -0.048 7.180 8.282) 10.961 24.322 ( -0.551 -3.610 -3.714) 5.208 24.322 ( -0.551 3.610 -3.714) 5.208 25.602 ( -1.462 -3.678 -1.244) 4.149 25.602 ( -1.462 3.678 -1.244) 4.149 25.951 ( 0.408 -6.696 5.009) 8.372 25.951 ( 0.408 6.696 5.009) 8.372 26.751 ( -0.892 -8.368 -3.846) 9.253 26.751 ( -0.892 8.368 -3.846) 9.253 ======================= Grid point 124 (66/108) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -4.336 -5.612 4.714) 8.516 2.732 ( -4.336 5.612 4.714) 8.516 2.969 ( 1.514 -13.016 0.443) 13.111 2.969 ( 1.514 13.016 0.443) 13.111 3.272 ( 4.131 -14.090 0.006) 14.683 3.272 ( 4.131 14.090 0.006) 14.683 3.548 ( -0.198 -1.197 -0.149) 1.222 3.548 ( -0.198 1.197 -0.149) 1.222 3.762 ( -5.298 -1.148 -1.209) 5.555 3.762 ( -5.298 1.148 -1.209) 5.555 3.987 ( -3.505 -2.229 0.222) 4.159 3.987 ( -3.505 2.229 0.222) 4.159 4.215 ( -1.539 -7.541 -7.788) 10.949 4.215 ( -1.539 7.541 -7.788) 10.949 4.318 ( -4.507 -8.521 4.564) 10.665 4.318 ( -4.507 8.521 4.564) 10.665 4.509 ( -5.009 -3.772 4.089) 7.486 4.509 ( -5.010 3.772 4.089) 7.486 4.951 ( -0.046 -1.805 0.101) 1.808 4.951 ( -0.046 1.805 0.101) 1.808 5.176 ( -7.312 -5.230 6.301) 10.978 5.176 ( -7.312 5.230 6.301) 10.978 5.384 ( 4.022 -4.392 -1.094) 6.055 5.384 ( 4.022 4.392 -1.094) 6.055 5.578 ( -3.628 -4.927 -5.722) 8.377 5.578 ( -3.628 4.927 -5.722) 8.377 5.777 ( -1.081 -1.914 -0.102) 2.201 5.777 ( -1.081 1.914 -0.102) 2.201 5.999 ( -2.698 -4.013 -6.412) 8.031 5.999 ( -2.698 4.013 -6.412) 8.031 6.408 ( -0.245 -8.837 1.378) 8.948 6.408 ( -0.245 8.837 1.378) 8.948 6.614 ( -4.680 -6.887 0.506) 8.342 6.614 ( -4.680 6.887 0.506) 8.342 7.190 ( 0.664 -3.163 0.683) 3.303 7.190 ( 0.664 3.163 0.683) 3.303 7.647 ( 12.559 -3.914 -3.074) 13.509 7.647 ( 12.559 3.914 -3.074) 13.509 7.973 ( 5.753 -2.254 2.893) 6.823 7.973 ( 5.753 2.254 2.893) 6.823 8.089 ( 7.233 -3.237 -1.073) 7.997 8.089 ( 7.233 3.237 -1.073) 7.997 8.322 ( 10.557 -1.533 3.617) 11.264 8.322 ( 10.557 1.533 3.617) 11.264 8.688 ( 2.154 -4.087 -2.807) 5.406 8.688 ( 2.154 4.087 -2.807) 5.406 9.191 ( -3.784 -2.877 1.309) 4.930 9.191 ( -3.784 2.877 1.309) 4.930 9.548 ( -4.846 -10.036 -1.259) 11.216 9.548 ( -4.846 10.036 -1.259) 11.216 9.900 ( -1.782 -4.069 1.011) 4.555 9.900 ( -1.782 4.069 1.011) 4.555 10.237 ( -3.823 -3.920 -1.694) 5.731 10.237 ( -3.823 3.920 -1.694) 5.731 10.629 ( -2.785 -2.696 -0.928) 3.986 10.629 ( -2.785 2.696 -0.928) 3.986 11.241 ( 3.401 -1.520 2.221) 4.337 11.241 ( 3.401 1.520 2.221) 4.337 11.935 ( -3.992 -1.569 -1.309) 4.485 11.935 ( -3.992 1.569 -1.309) 4.485 12.032 ( -0.368 -5.140 4.184) 6.638 12.032 ( -0.368 5.140 4.184) 6.638 13.550 ( 2.174 -3.038 -2.885) 4.720 13.550 ( 2.174 3.038 -2.885) 4.720 14.462 ( 2.730 -6.119 1.916) 6.969 14.462 ( 2.730 6.119 1.916) 6.969 14.852 ( 3.402 -2.298 -1.036) 4.234 14.852 ( 3.402 2.298 -1.036) 4.234 16.694 ( 0.018 -0.083 -0.361) 0.371 16.694 ( 0.018 0.083 -0.361) 0.371 19.509 ( 0.314 -8.040 0.046) 8.046 19.509 ( 0.314 8.040 0.046) 8.046 19.893 ( -0.509 -3.475 -4.894) 6.024 19.893 ( -0.509 3.475 -4.894) 6.024 20.221 ( -0.176 -3.119 2.848) 4.227 20.221 ( -0.176 3.119 2.848) 4.227 20.778 ( -0.167 -2.463 4.304) 4.962 20.778 ( -0.167 2.463 4.304) 4.962 21.438 ( 4.891 -5.198 -5.108) 8.777 21.438 ( 4.891 5.198 -5.108) 8.777 22.243 ( -0.334 -2.740 -0.461) 2.798 22.243 ( -0.334 2.740 -0.461) 2.798 22.468 ( -2.375 -2.170 -0.697) 3.291 22.468 ( -2.375 2.170 -0.697) 3.291 22.678 ( -1.117 -0.637 -0.530) 1.391 22.678 ( -1.117 0.637 -0.530) 1.391 23.423 ( -0.139 -7.239 7.958) 10.759 23.423 ( -0.139 7.239 7.958) 10.759 24.308 ( -0.755 -2.868 -3.520) 4.603 24.308 ( -0.755 2.868 -3.520) 4.603 25.568 ( -1.695 -3.640 -0.686) 4.073 25.568 ( -1.695 3.640 -0.686) 4.073 25.972 ( 1.458 -3.362 4.480) 5.788 25.972 ( 1.458 3.362 4.480) 5.788 26.729 ( -1.169 -6.914 -3.588) 7.876 26.729 ( -1.169 6.914 -3.588) 7.876 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.122 0.000 34.037) 34.583 1.501 ( -3.147 0.000 35.166) 35.307 2.026 ( 4.449 0.000 -19.583) 20.082 2.138 ( 11.800 0.000 -27.769) 30.172 2.202 ( 10.268 0.000 29.017) 30.780 2.706 ( -9.763 0.000 -13.398) 16.578 3.565 ( -2.926 0.000 7.893) 8.418 3.599 ( -3.016 0.000 1.644) 3.434 3.766 ( 1.285 0.000 8.582) 8.677 3.862 ( 4.628 0.000 0.145) 4.630 3.929 ( -0.064 0.000 2.375) 2.376 4.087 ( -2.122 0.000 -7.388) 7.687 4.335 ( -0.262 0.000 -6.035) 6.041 4.397 ( -4.273 0.000 -11.484) 12.253 4.458 ( 1.269 0.000 -2.358) 2.677 4.472 ( 0.542 0.000 -2.111) 2.179 4.691 ( -8.719 0.000 -1.825) 8.908 4.698 ( 12.284 0.000 -3.203) 12.694 5.042 ( -11.120 0.000 6.644) 12.954 5.188 ( 8.781 0.000 -6.868) 11.148 5.347 ( -9.369 0.000 2.487) 9.693 5.404 ( 7.359 0.000 1.712) 7.556 5.613 ( 0.372 0.000 -0.165) 0.407 5.632 ( -5.517 0.000 -7.343) 9.185 5.720 ( 0.865 0.000 3.625) 3.727 5.736 ( -1.535 0.000 7.641) 7.794 5.807 ( 1.909 0.000 -3.276) 3.792 5.851 ( -1.833 0.000 -4.310) 4.684 6.042 ( 1.525 0.000 3.238) 3.579 6.137 ( 2.416 0.000 -3.904) 4.590 6.351 ( 5.457 0.000 3.278) 6.366 6.396 ( -3.735 0.000 -1.271) 3.945 6.677 ( 3.305 0.000 -0.372) 3.326 6.715 ( -4.100 0.000 -3.292) 5.258 7.192 ( -0.537 0.000 2.982) 3.030 7.209 ( -2.697 0.000 0.915) 2.848 7.734 ( 4.226 0.000 2.328) 4.825 7.736 ( -0.475 0.000 0.385) 0.611 7.904 ( -0.009 0.000 6.672) 6.672 8.011 ( -0.694 0.000 -3.407) 3.477 8.113 ( -3.205 0.000 4.090) 5.196 8.207 ( 1.906 0.000 1.717) 2.565 8.231 ( 7.856 0.000 -4.973) 9.298 8.235 ( 1.548 0.000 2.906) 3.292 8.400 ( -6.714 0.000 0.485) 6.732 8.485 ( -0.632 0.000 -7.270) 7.298 8.744 ( 8.885 0.000 8.954) 12.614 8.887 ( -8.736 0.000 -4.512) 9.832 9.638 ( 3.940 0.000 1.632) 4.265 9.641 ( -2.866 0.000 0.618) 2.932 9.987 ( -5.939 0.000 0.186) 5.942 10.037 ( 2.951 0.000 -5.144) 5.931 10.286 ( 10.454 0.000 -1.125) 10.514 10.292 ( -8.699 0.000 -1.518) 8.831 10.587 ( -0.785 0.000 3.768) 3.849 10.674 ( 4.354 0.000 -4.923) 6.572 11.423 ( -1.196 0.000 4.048) 4.221 11.478 ( 1.556 0.000 -1.541) 2.190 11.867 ( -1.593 0.000 4.401) 4.680 11.913 ( -3.523 0.000 0.613) 3.576 12.024 ( 7.684 0.000 3.700) 8.528 12.128 ( -8.171 0.000 -7.083) 10.813 14.160 ( 3.616 0.000 9.900) 10.540 14.319 ( 1.976 0.000 -3.334) 3.876 14.407 ( -5.312 0.000 -2.846) 6.026 14.422 ( 0.397 0.000 -2.175) 2.211 14.699 ( -0.486 0.000 5.284) 5.307 14.831 ( -0.506 0.000 -7.882) 7.898 16.690 ( -1.149 0.000 0.605) 1.299 16.707 ( 1.043 0.000 -0.978) 1.429 18.905 ( -1.142 0.000 4.630) 4.769 19.014 ( 0.055 0.000 -6.218) 6.219 19.965 ( 2.443 0.000 4.167) 4.830 20.021 ( -1.933 0.000 -1.003) 2.178 20.166 ( 0.734 0.000 1.398) 1.579 20.200 ( -1.618 0.000 -2.344) 2.848 20.671 ( -0.011 0.000 0.237) 0.237 20.677 ( -1.010 0.000 -0.569) 1.159 20.987 ( 5.775 0.000 6.488) 8.686 21.112 ( -4.080 0.000 -5.659) 6.977 22.029 ( -1.482 0.000 1.736) 2.282 22.070 ( -0.147 0.000 -2.370) 2.375 22.465 ( -0.229 0.000 0.521) 0.570 22.481 ( 0.243 0.000 -1.061) 1.088 22.637 ( 0.199 0.000 3.439) 3.445 22.691 ( 0.629 0.000 -2.027) 2.122 23.854 ( -0.190 0.000 0.973) 0.991 23.878 ( 0.314 0.000 -1.479) 1.512 24.184 ( 1.086 0.000 7.113) 7.196 24.314 ( -1.094 0.000 -5.582) 5.688 25.359 ( 3.164 0.000 -0.367) 3.185 25.383 ( -3.941 0.000 -2.832) 4.853 25.860 ( 13.396 0.000 4.887) 14.259 25.921 ( -21.670 0.000 -1.107) 21.698 26.714 ( -10.941 0.000 2.688) 11.266 26.785 ( 23.914 0.000 -4.348) 24.306 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 5.452 0.000 23.011) 23.648 1.492 ( 14.411 0.000 28.957) 32.345 2.061 ( -8.568 0.000 -30.014) 31.213 2.281 ( 18.682 0.000 -27.640) 33.361 2.778 ( 38.949 0.000 33.018) 51.061 3.040 ( 30.762 0.000 -9.109) 32.082 3.474 ( -8.705 0.000 -0.311) 8.711 3.490 ( -5.343 0.000 5.632) 7.763 3.842 ( 2.911 0.000 10.964) 11.344 3.878 ( 4.421 0.000 6.281) 7.681 4.149 ( 7.907 0.000 -11.881) 14.272 4.151 ( 15.098 0.000 -0.790) 15.118 4.289 ( -7.283 0.000 -1.792) 7.501 4.332 ( -2.397 0.000 -8.426) 8.760 4.477 ( 1.325 0.000 -0.731) 1.513 4.504 ( 2.630 0.000 -3.238) 4.172 4.635 ( 7.879 0.000 -4.097) 8.881 4.699 ( -13.494 0.000 3.569) 13.958 4.984 ( 7.469 0.000 -2.738) 7.955 5.043 ( -15.913 0.000 10.104) 18.849 5.325 ( 2.244 0.000 -7.747) 8.065 5.446 ( -2.945 0.000 5.544) 6.278 5.573 ( 1.262 0.000 -5.227) 5.378 5.609 ( -1.180 0.000 2.250) 2.541 5.687 ( -3.183 0.000 6.932) 7.628 5.719 ( 1.044 0.000 2.418) 2.634 5.832 ( -0.088 0.000 2.375) 2.377 5.886 ( 4.449 0.000 -1.428) 4.673 6.163 ( -0.424 0.000 -4.278) 4.299 6.177 ( 11.523 0.000 -4.448) 12.351 6.354 ( -0.850 0.000 -3.944) 4.034 6.464 ( 5.083 0.000 2.567) 5.694 6.660 ( -0.863 0.000 -2.326) 2.481 6.770 ( 5.913 0.000 0.917) 5.984 7.162 ( -1.398 0.000 4.464) 4.678 7.188 ( -0.210 0.000 4.782) 4.786 7.655 ( -14.185 0.000 1.906) 14.312 7.698 ( -3.373 0.000 -1.455) 3.673 7.841 ( -9.171 0.000 4.049) 10.025 7.927 ( -10.444 0.000 0.500) 10.456 7.929 ( -7.830 0.000 -1.539) 7.980 8.075 ( -14.508 0.000 -3.085) 14.832 8.103 ( -6.177 0.000 -5.271) 8.120 8.336 ( 2.741 0.000 -6.144) 6.727 8.351 ( -0.622 0.000 8.813) 8.835 8.471 ( -4.614 0.000 -4.390) 6.368 8.706 ( -9.147 0.000 -7.974) 12.134 8.831 ( -0.807 0.000 10.982) 11.012 9.555 ( -5.691 0.000 -0.847) 5.754 9.617 ( -8.062 0.000 4.061) 9.027 9.921 ( 0.202 0.000 2.193) 2.202 10.000 ( -3.481 0.000 3.950) 5.265 10.169 ( 0.397 0.000 -7.858) 7.868 10.274 ( -3.565 0.000 -2.082) 4.128 10.722 ( 8.929 0.000 2.977) 9.412 10.985 ( 16.206 0.000 -9.155) 18.613 11.420 ( 0.434 0.000 3.230) 3.259 11.565 ( 5.996 0.000 -2.828) 6.629 11.810 ( -3.042 0.000 9.197) 9.687 11.851 ( -0.171 0.000 6.786) 6.788 12.037 ( -1.059 0.000 -9.335) 9.395 12.168 ( 6.241 0.000 4.331) 7.596 14.121 ( -6.527 0.000 7.036) 9.597 14.159 ( -12.945 0.000 -6.725) 14.588 14.388 ( 1.154 0.000 2.614) 2.857 14.443 ( 1.071 0.000 -1.002) 1.466 14.662 ( -2.955 0.000 6.149) 6.822 14.805 ( -1.320 0.000 -7.646) 7.759 16.671 ( -0.620 0.000 0.506) 0.800 16.722 ( 0.423 0.000 -0.826) 0.928 18.892 ( -0.124 0.000 5.566) 5.567 19.015 ( -0.064 0.000 -5.595) 5.595 19.966 ( -2.863 0.000 -1.659) 3.309 20.000 ( 0.943 0.000 3.766) 3.882 20.182 ( -0.115 0.000 -0.942) 0.949 20.185 ( 0.807 0.000 1.266) 1.501 20.660 ( -0.888 0.000 -0.343) 0.952 20.680 ( 0.796 0.000 1.273) 1.501 20.976 ( -7.843 0.000 -6.856) 10.418 20.994 ( -3.963 0.000 7.182) 8.203 22.064 ( 3.343 0.000 0.479) 3.377 22.098 ( 2.586 0.000 0.270) 2.600 22.467 ( 0.384 0.000 0.708) 0.806 22.494 ( 0.984 0.000 -1.193) 1.546 22.662 ( 2.078 0.000 2.171) 3.005 22.726 ( 2.534 0.000 -2.580) 3.616 23.852 ( 0.076 0.000 0.747) 0.751 23.883 ( 0.203 0.000 -1.436) 1.450 24.214 ( 1.822 0.000 8.267) 8.465 24.321 ( 1.869 0.000 -6.208) 6.483 25.144 ( -22.883 0.000 14.211) 26.937 25.242 ( -9.210 0.000 -5.111) 10.533 25.583 ( -2.622 0.000 6.257) 6.784 25.992 ( -1.272 0.000 0.888) 1.551 26.731 ( 12.374 0.000 8.194) 14.841 27.464 ( 30.686 0.000 -31.014) 43.629 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 21.857 0.000 3.614) 22.154 1.887 ( 20.686 0.000 11.166) 23.507 2.015 ( 7.015 0.000 -12.035) 13.930 2.713 ( 24.331 0.000 -24.287) 34.379 3.129 ( -14.099 0.000 8.495) 16.460 3.233 ( -10.907 0.000 0.748) 10.933 3.668 ( 15.018 0.000 7.995) 17.013 3.671 ( 26.225 0.000 13.297) 29.403 3.747 ( -3.825 0.000 2.332) 4.480 4.054 ( 15.181 0.000 -3.236) 15.522 4.180 ( -14.861 0.000 10.622) 18.267 4.185 ( -1.799 0.000 -0.032) 1.800 4.246 ( 1.751 0.000 1.117) 2.077 4.399 ( 4.765 0.000 -15.222) 15.950 4.577 ( 15.427 0.000 -1.632) 15.513 4.602 ( 7.190 0.000 2.327) 7.557 4.652 ( 7.034 0.000 2.326) 7.408 4.858 ( 10.516 0.000 2.057) 10.716 4.899 ( 5.976 0.000 -0.262) 5.982 5.120 ( 6.403 0.000 -6.805) 9.344 5.314 ( -1.667 0.000 -7.697) 7.876 5.337 ( -7.046 0.000 5.685) 9.054 5.588 ( -2.588 0.000 2.759) 3.783 5.605 ( 2.371 0.000 1.335) 2.720 5.695 ( 6.258 0.000 1.125) 6.358 5.788 ( 5.049 0.000 6.523) 8.249 5.834 ( 0.542 0.000 3.381) 3.424 5.983 ( 4.722 0.000 0.195) 4.726 6.125 ( -2.877 0.000 -4.912) 5.692 6.325 ( -1.485 0.000 -6.204) 6.380 6.451 ( 14.037 0.000 -4.911) 14.872 6.513 ( -0.700 0.000 4.701) 4.753 6.684 ( 2.857 0.000 -0.329) 2.876 6.881 ( 3.128 0.000 0.795) 3.227 7.112 ( -6.440 0.000 2.930) 7.075 7.160 ( -3.888 0.000 6.423) 7.508 7.342 ( -10.987 0.000 -4.699) 11.950 7.413 ( -21.336 0.000 -1.412) 21.383 7.598 ( -22.875 0.000 1.520) 22.925 7.682 ( -6.440 0.000 4.440) 7.823 7.800 ( -10.592 0.000 -4.607) 11.551 7.846 ( 0.383 0.000 -3.733) 3.753 8.052 ( -4.801 0.000 -8.394) 9.670 8.212 ( -12.180 0.000 1.958) 12.336 8.319 ( -2.598 0.000 12.662) 12.926 8.406 ( -1.930 0.000 -13.008) 13.150 8.562 ( -2.297 0.000 -11.747) 11.970 8.735 ( -8.028 0.000 12.552) 14.900 9.369 ( -13.858 0.000 9.213) 16.642 9.456 ( -3.872 0.000 -0.590) 3.917 9.918 ( -1.489 0.000 0.582) 1.599 10.016 ( 0.735 0.000 -2.706) 2.804 10.197 ( 4.598 0.000 0.049) 4.598 10.307 ( 5.914 0.000 -2.088) 6.271 10.881 ( 6.515 0.000 5.856) 8.760 11.174 ( 4.808 0.000 -8.875) 10.094 11.431 ( 0.734 0.000 1.327) 1.516 11.569 ( -3.715 0.000 2.342) 4.392 11.854 ( 0.116 0.000 8.912) 8.913 11.941 ( 11.315 0.000 5.518) 12.589 12.041 ( 1.276 0.000 -11.668) 11.737 12.261 ( 3.052 0.000 1.784) 3.536 13.949 ( -7.309 0.000 -6.712) 9.923 13.957 ( -9.018 0.000 5.236) 10.428 14.403 ( 0.277 0.000 3.027) 3.040 14.454 ( 0.102 0.000 -1.597) 1.600 14.606 ( -2.292 0.000 7.480) 7.823 14.786 ( -0.493 0.000 -9.363) 9.376 16.667 ( 0.214 0.000 0.416) 0.468 16.722 ( -0.367 0.000 -0.956) 1.024 18.894 ( 0.093 0.000 5.378) 5.379 19.010 ( -0.294 0.000 -5.600) 5.607 19.930 ( -0.628 0.000 -1.900) 2.001 20.000 ( -1.109 0.000 2.656) 2.878 20.185 ( 0.225 0.000 -0.223) 0.317 20.194 ( 0.146 0.000 0.334) 0.364 20.640 ( -0.858 0.000 -1.539) 1.762 20.687 ( -0.593 0.000 1.909) 1.999 20.860 ( -3.315 0.000 -4.223) 5.369 20.896 ( -4.941 0.000 6.508) 8.171 22.126 ( 2.871 0.000 -1.620) 3.296 22.145 ( 1.581 0.000 2.639) 3.076 22.481 ( 0.930 0.000 1.108) 1.446 22.515 ( 0.999 0.000 -1.005) 1.417 22.708 ( 2.317 0.000 1.210) 2.614 22.773 ( 1.946 0.000 -2.845) 3.447 23.857 ( 0.371 0.000 0.527) 0.645 23.886 ( 0.049 0.000 -1.197) 1.198 24.259 ( 2.571 0.000 10.367) 10.681 24.381 ( 3.984 0.000 -7.090) 8.133 24.759 ( -15.272 0.000 23.005) 27.613 25.060 ( -8.252 0.000 -10.706) 13.517 25.604 ( 2.507 0.000 4.704) 5.330 25.914 ( -4.832 0.000 -4.837) 6.837 27.034 ( 14.862 0.000 20.334) 25.187 27.865 ( 11.571 0.000 -36.681) 38.462 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.922 0.000 -7.221) 8.218 2.171 ( 15.844 0.000 -13.347) 20.716 2.435 ( 23.911 0.000 16.271) 28.922 2.789 ( -14.348 0.000 12.433) 18.985 3.026 ( -6.405 0.000 -3.952) 7.526 3.138 ( 8.261 0.000 -20.901) 22.474 3.407 ( -5.645 0.000 -4.028) 6.935 3.544 ( -20.648 0.000 9.794) 22.853 4.035 ( 0.819 0.000 11.403) 11.432 4.093 ( -4.579 0.000 5.808) 7.396 4.285 ( 12.707 0.000 8.023) 15.028 4.339 ( 7.766 0.000 1.167) 7.854 4.371 ( 10.365 0.000 -4.530) 11.311 4.481 ( 2.643 0.000 -10.635) 10.959 4.736 ( 6.177 0.000 3.084) 6.904 4.739 ( 3.486 0.000 0.596) 3.537 4.948 ( 12.893 0.000 0.768) 12.916 4.957 ( 3.846 0.000 9.440) 10.194 5.108 ( 6.276 0.000 -6.014) 8.692 5.127 ( -9.577 0.000 9.053) 13.178 5.300 ( 5.655 0.000 -10.417) 11.853 5.308 ( 1.249 0.000 -11.624) 11.691 5.625 ( 9.380 0.000 4.524) 10.414 5.710 ( 5.754 0.000 3.872) 6.936 5.819 ( 4.896 0.000 -4.216) 6.461 5.845 ( -5.369 0.000 4.528) 7.024 5.856 ( 2.061 0.000 4.420) 4.876 6.056 ( 3.468 0.000 -0.146) 3.471 6.066 ( -1.581 0.000 -3.179) 3.550 6.257 ( -5.029 0.000 -4.855) 6.990 6.487 ( 3.424 0.000 6.589) 7.426 6.709 ( 9.006 0.000 1.648) 9.155 6.757 ( 5.595 0.000 -1.343) 5.754 6.773 ( -7.490 0.000 -4.171) 8.573 6.971 ( -3.895 0.000 -1.523) 4.183 7.044 ( -20.606 0.000 -3.465) 20.896 7.060 ( -13.621 0.000 3.430) 14.047 7.210 ( 1.846 0.000 2.134) 2.822 7.338 ( 5.013 0.000 -9.719) 10.936 7.473 ( -12.454 0.000 5.108) 13.461 7.673 ( -2.022 0.000 -3.832) 4.333 7.762 ( -16.478 0.000 -1.418) 16.539 7.969 ( 9.514 0.000 -3.944) 10.299 8.084 ( -8.153 0.000 4.542) 9.332 8.232 ( -7.052 0.000 16.001) 17.486 8.389 ( 4.623 0.000 -14.710) 15.420 8.555 ( -9.512 0.000 12.336) 15.577 8.621 ( 5.810 0.000 -11.047) 12.481 9.200 ( -1.308 0.000 8.732) 8.830 9.387 ( -3.089 0.000 -3.648) 4.780 9.876 ( -2.491 0.000 0.929) 2.658 9.974 ( -2.908 0.000 -8.987) 9.446 10.336 ( 6.174 0.000 5.516) 8.279 10.419 ( 3.795 0.000 -1.065) 3.941 10.972 ( 2.884 0.000 9.684) 10.105 11.230 ( 1.338 0.000 -11.558) 11.635 11.460 ( 2.381 0.000 -0.647) 2.468 11.483 ( -4.611 0.000 3.173) 5.597 11.852 ( -0.517 0.000 9.867) 9.881 12.043 ( 0.605 0.000 -4.091) 4.136 12.146 ( 7.043 0.000 -1.904) 7.296 12.284 ( -0.930 0.000 -0.951) 1.330 13.802 ( -6.174 0.000 5.417) 8.214 13.871 ( -0.788 0.000 -6.768) 6.814 14.403 ( -0.170 0.000 3.432) 3.437 14.449 ( -0.465 0.000 -0.927) 1.037 14.585 ( 0.082 0.000 7.352) 7.353 14.781 ( 0.027 0.000 -11.215) 11.215 16.677 ( 0.646 0.000 0.538) 0.840 16.710 ( -0.755 0.000 -1.107) 1.340 18.895 ( -0.038 0.000 5.041) 5.042 19.006 ( 0.041 0.000 -5.909) 5.909 19.941 ( 1.641 0.000 -1.745) 2.395 19.960 ( -2.668 0.000 1.569) 3.095 20.187 ( -0.080 0.000 0.434) 0.441 20.195 ( -0.012 0.000 -0.085) 0.086 20.644 ( 1.564 0.000 -2.073) 2.597 20.649 ( -2.930 0.000 2.777) 4.037 20.826 ( -2.214 0.000 3.715) 4.324 20.837 ( 0.609 0.000 -1.617) 1.728 22.153 ( -0.621 0.000 2.938) 3.003 22.179 ( 2.548 0.000 -2.746) 3.746 22.500 ( 0.888 0.000 1.451) 1.702 22.529 ( 0.402 0.000 -1.009) 1.086 22.745 ( 1.172 0.000 1.012) 1.549 22.794 ( 0.167 0.000 -2.767) 2.772 23.865 ( 0.343 0.000 0.484) 0.593 23.884 ( -0.200 0.000 -0.941) 0.962 24.310 ( 1.657 0.000 10.684) 10.811 24.459 ( 3.418 0.000 -6.944) 7.740 24.540 ( -6.838 0.000 25.181) 26.093 24.940 ( -3.212 0.000 -15.224) 15.559 25.656 ( 2.404 0.000 5.073) 5.614 25.822 ( -4.325 0.000 -4.183) 6.017 27.266 ( 7.913 0.000 24.474) 25.721 27.969 ( 0.459 0.000 -35.799) 35.802 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -8.621 0.000 0.050) 8.621 2.043 ( -22.340 0.000 -3.179) 22.565 2.662 ( -9.936 0.000 20.663) 22.928 2.775 ( -12.984 0.000 -15.522) 20.237 2.945 ( 8.967 0.000 1.452) 9.084 3.047 ( 5.358 0.000 -6.781) 8.642 3.322 ( 11.170 0.000 4.094) 11.897 3.658 ( 9.443 0.000 0.984) 9.494 4.063 ( 3.658 0.000 4.351) 5.684 4.081 ( 2.012 0.000 8.209) 8.452 4.260 ( -12.220 0.000 4.981) 13.197 4.366 ( -15.909 0.000 -6.144) 17.054 4.398 ( -0.583 0.000 0.859) 1.038 4.442 ( -1.911 0.000 -4.098) 4.521 4.756 ( -4.050 0.000 1.889) 4.469 4.782 ( 0.771 0.000 -4.419) 4.486 4.927 ( -5.595 0.000 7.075) 9.020 4.938 ( -16.723 0.000 2.009) 16.843 5.075 ( 2.471 0.000 0.242) 2.482 5.080 ( -4.167 0.000 9.084) 9.994 5.309 ( -5.482 0.000 -9.943) 11.354 5.350 ( 4.959 0.000 -10.914) 11.988 5.616 ( -7.219 0.000 2.829) 7.754 5.726 ( -6.229 0.000 2.398) 6.674 5.834 ( 2.799 0.000 -3.501) 4.482 5.914 ( 5.251 0.000 5.085) 7.310 5.962 ( 5.112 0.000 -4.073) 6.536 6.012 ( -2.755 0.000 -9.668) 10.053 6.152 ( -4.880 0.000 -5.572) 7.407 6.159 ( 3.732 0.000 4.561) 5.893 6.612 ( -4.302 0.000 -4.341) 6.112 6.660 ( -17.052 0.000 4.666) 17.679 6.699 ( 12.605 0.000 5.584) 13.786 6.739 ( -0.924 0.000 -0.677) 1.145 6.976 ( 11.896 0.000 -4.304) 12.650 7.017 ( 15.262 0.000 -1.614) 15.347 7.152 ( 16.529 0.000 4.346) 17.091 7.202 ( -3.056 0.000 -8.571) 9.100 7.275 ( -5.561 0.000 0.207) 5.565 7.532 ( 8.858 0.000 1.075) 8.923 7.628 ( 7.283 0.000 -1.219) 7.385 7.704 ( 4.134 0.000 4.639) 6.214 7.880 ( -10.758 0.000 4.545) 11.679 8.088 ( -2.869 0.000 13.764) 14.060 8.161 ( 7.498 0.000 -3.011) 8.080 8.390 ( -6.664 0.000 11.321) 13.137 8.507 ( 4.477 0.000 -11.337) 12.189 8.768 ( 9.421 0.000 -8.292) 12.550 9.300 ( 8.859 0.000 5.600) 10.480 9.374 ( 3.160 0.000 -7.987) 8.590 9.832 ( -1.359 0.000 4.703) 4.896 9.938 ( -0.466 0.000 -5.895) 5.913 10.369 ( -3.217 0.000 3.873) 5.035 10.425 ( -3.242 0.000 -2.977) 4.401 11.019 ( 1.826 0.000 9.543) 9.716 11.191 ( -6.183 0.000 -11.512) 13.068 11.431 ( 0.406 0.000 0.851) 0.943 11.517 ( 2.860 0.000 0.736) 2.953 11.836 ( -1.082 0.000 9.509) 9.571 12.037 ( -1.183 0.000 -4.174) 4.339 12.218 ( -5.802 0.000 -2.949) 6.508 12.246 ( 3.421 0.000 -0.687) 3.489 13.734 ( -0.344 0.000 6.356) 6.365 13.905 ( 4.177 0.000 -4.808) 6.369 14.402 ( 0.118 0.000 3.512) 3.514 14.441 ( -0.267 0.000 0.097) 0.284 14.605 ( 1.644 0.000 5.818) 6.045 14.782 ( 0.253 0.000 -11.769) 11.772 16.690 ( 0.681 0.000 0.787) 1.041 16.695 ( -0.714 0.000 -1.204) 1.400 18.898 ( 0.352 0.000 4.712) 4.725 19.010 ( 0.407 0.000 -6.238) 6.251 19.910 ( -2.080 0.000 1.406) 2.510 19.985 ( 2.557 0.000 -1.060) 2.768 20.186 ( 0.183 0.000 0.519) 0.551 20.191 ( -0.435 0.000 0.149) 0.460 20.599 ( -1.561 0.000 2.745) 3.158 20.690 ( 2.387 0.000 -1.600) 2.873 20.796 ( -1.079 0.000 2.459) 2.685 20.880 ( 3.970 0.000 -1.597) 4.279 22.131 ( -1.348 0.000 2.063) 2.465 22.219 ( 1.216 0.000 -3.484) 3.690 22.511 ( 0.065 0.000 1.115) 1.117 22.527 ( -0.715 0.000 -1.334) 1.513 22.748 ( -0.908 0.000 1.672) 1.903 22.780 ( -1.474 0.000 -2.533) 2.930 23.869 ( 0.002 0.000 0.604) 0.604 23.878 ( -0.359 0.000 -0.850) 0.923 24.279 ( -4.146 0.000 10.766) 11.537 24.485 ( -1.033 0.000 -6.571) 6.652 24.541 ( 6.128 0.000 25.203) 25.938 24.952 ( 4.880 0.000 -16.259) 16.975 25.696 ( 1.646 0.000 7.080) 7.269 25.744 ( -3.512 0.000 -3.103) 4.686 27.345 ( -0.309 0.000 25.352) 25.354 27.890 ( -8.072 0.000 -36.557) 37.438 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -19.238 0.000 14.953) 24.366 1.840 ( -6.281 0.000 -7.808) 10.021 2.210 ( -27.945 0.000 25.379) 37.749 2.383 ( -18.846 0.000 -24.117) 30.607 3.202 ( -4.176 0.000 10.351) 11.161 3.257 ( 13.367 0.000 -4.110) 13.984 3.435 ( -15.753 0.000 16.203) 22.599 3.730 ( 22.106 0.000 1.830) 22.182 3.848 ( -30.314 0.000 -3.826) 30.555 4.041 ( -5.835 0.000 5.719) 8.170 4.096 ( -5.314 0.000 8.509) 10.032 4.265 ( 7.991 0.000 -2.527) 8.381 4.318 ( -9.288 0.000 -2.146) 9.533 4.378 ( -3.018 0.000 -5.348) 6.141 4.588 ( -9.131 0.000 -3.633) 9.828 4.626 ( -6.622 0.000 -3.231) 7.369 4.735 ( -7.705 0.000 -7.983) 11.094 4.905 ( -2.509 0.000 -5.294) 5.859 4.979 ( -1.281 0.000 6.046) 6.180 5.009 ( -7.326 0.000 -5.418) 9.112 5.220 ( 0.977 0.000 2.454) 2.642 5.445 ( 3.201 0.000 -2.065) 3.809 5.577 ( 1.438 0.000 -0.583) 1.552 5.604 ( -1.879 0.000 1.281) 2.274 5.792 ( -6.313 0.000 -4.384) 7.686 5.930 ( -4.552 0.000 -2.009) 4.975 5.958 ( -2.002 0.000 -7.906) 8.155 5.986 ( -1.138 0.000 -2.388) 2.645 6.048 ( -3.688 0.000 -1.932) 4.163 6.203 ( 0.860 0.000 5.975) 6.036 6.321 ( -13.785 0.000 7.533) 15.709 6.577 ( -1.076 0.000 -2.686) 2.893 6.716 ( -5.907 0.000 -3.244) 6.739 6.889 ( 0.334 0.000 0.431) 0.545 7.191 ( 5.639 0.000 -3.458) 6.615 7.204 ( 5.885 0.000 0.545) 5.910 7.350 ( 14.208 0.000 -4.241) 14.827 7.367 ( 21.945 0.000 3.908) 22.290 7.575 ( 18.839 0.000 6.000) 19.771 7.675 ( -4.247 0.000 3.055) 5.232 7.704 ( 9.635 0.000 1.799) 9.801 7.808 ( 7.683 0.000 12.020) 14.266 7.912 ( 13.551 0.000 -6.357) 14.968 8.184 ( 9.492 0.000 5.979) 11.218 8.233 ( 1.400 0.000 3.949) 4.190 8.375 ( 5.823 0.000 5.038) 7.700 8.542 ( 0.087 0.000 -9.600) 9.601 8.951 ( 7.416 0.000 -7.980) 10.894 9.451 ( 5.020 0.000 0.242) 5.025 9.514 ( 9.520 0.000 -5.130) 10.815 9.857 ( 4.282 0.000 10.353) 11.204 9.958 ( 2.753 0.000 -4.210) 5.031 10.247 ( -7.220 0.000 3.603) 8.069 10.306 ( -7.850 0.000 -6.974) 10.500 11.009 ( -10.935 0.000 -6.811) 12.883 11.020 ( -2.967 0.000 6.791) 7.411 11.466 ( 1.767 0.000 -3.051) 3.526 11.545 ( -0.912 0.000 5.099) 5.180 11.822 ( 0.164 0.000 7.097) 7.099 11.999 ( -2.334 0.000 -2.652) 3.533 12.068 ( -8.246 0.000 -4.452) 9.371 12.290 ( 0.993 0.000 -3.157) 3.309 13.802 ( 7.173 0.000 7.068) 10.071 14.030 ( 8.303 0.000 -2.121) 8.570 14.413 ( 1.059 0.000 2.916) 3.102 14.437 ( -0.181 0.000 -0.467) 0.501 14.644 ( 2.131 0.000 4.857) 5.304 14.789 ( 0.710 0.000 -10.626) 10.650 16.685 ( -0.199 0.000 -1.260) 1.276 16.702 ( 0.423 0.000 0.997) 1.082 18.910 ( 0.747 0.000 4.256) 4.321 19.016 ( 0.221 0.000 -6.578) 6.581 19.889 ( 0.078 0.000 2.116) 2.117 20.027 ( 1.372 0.000 -0.026) 1.372 20.178 ( -0.824 0.000 0.614) 1.027 20.201 ( 1.294 0.000 -0.828) 1.536 20.603 ( 2.094 0.000 2.690) 3.409 20.715 ( 0.076 0.000 -0.999) 1.002 20.783 ( -0.063 0.000 3.337) 3.338 20.991 ( 6.744 0.000 -3.063) 7.407 22.109 ( -0.926 0.000 0.401) 1.009 22.212 ( -2.286 0.000 -4.083) 4.679 22.502 ( -0.873 0.000 0.405) 0.962 22.504 ( -1.310 0.000 -1.346) 1.878 22.712 ( -2.668 0.000 3.047) 4.051 22.742 ( -2.167 0.000 -2.219) 3.102 23.865 ( -0.297 0.000 0.801) 0.854 23.872 ( -0.167 0.000 -1.006) 1.020 24.206 ( -2.819 0.000 9.943) 10.335 24.432 ( -3.622 0.000 -6.631) 7.556 24.749 ( 14.659 0.000 22.704) 27.025 25.111 ( 10.732 0.000 -13.171) 16.989 25.683 ( -2.571 0.000 -2.746) 3.762 25.730 ( 2.125 0.000 11.216) 11.415 27.258 ( -8.833 0.000 23.712) 25.304 27.622 ( -19.438 0.000 -37.803) 42.508 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 1.395 0.000 32.693) 32.723 1.695 ( -22.678 0.000 30.290) 37.839 1.858 ( 9.270 0.000 -18.414) 20.616 2.096 ( -8.875 0.000 -29.278) 30.594 2.556 ( -36.857 0.000 36.870) 52.133 3.198 ( -31.750 0.000 -10.848) 33.552 3.513 ( 10.010 0.000 -1.860) 10.181 3.540 ( 7.479 0.000 -0.600) 7.503 3.853 ( -8.164 0.000 14.484) 16.626 3.887 ( -10.374 0.000 7.665) 12.899 4.051 ( -5.008 0.000 -7.471) 8.994 4.187 ( -8.020 0.000 -2.617) 8.437 4.299 ( 14.149 0.000 1.760) 14.258 4.337 ( 0.938 0.000 -7.971) 8.026 4.505 ( -5.709 0.000 -9.945) 11.467 4.506 ( -6.134 0.000 -6.454) 8.904 4.654 ( -10.168 0.000 -3.946) 10.907 4.756 ( 5.499 0.000 -0.395) 5.513 5.006 ( 5.100 0.000 -4.777) 6.988 5.175 ( 13.330 0.000 -1.178) 13.381 5.202 ( -4.013 0.000 4.528) 6.050 5.471 ( -3.105 0.000 1.460) 3.431 5.580 ( 1.419 0.000 -2.829) 3.165 5.645 ( 4.159 0.000 -1.126) 4.309 5.714 ( -0.799 0.000 4.681) 4.749 5.812 ( -7.542 0.000 -8.531) 11.387 5.861 ( -5.953 0.000 1.226) 6.078 5.912 ( -3.038 0.000 -5.678) 6.439 6.047 ( -0.290 0.000 5.260) 5.268 6.129 ( -3.264 0.000 0.609) 3.320 6.260 ( 3.294 0.000 5.378) 6.306 6.502 ( -6.270 0.000 -1.947) 6.565 6.643 ( -0.135 0.000 -0.751) 0.764 6.811 ( -5.394 0.000 -2.259) 5.848 7.213 ( -1.304 0.000 -0.068) 1.305 7.241 ( -0.510 0.000 -0.008) 0.510 7.634 ( 3.796 0.000 7.326) 8.251 7.664 ( 10.756 0.000 1.247) 10.828 7.816 ( 8.553 0.000 6.708) 10.869 7.862 ( 21.143 0.000 2.913) 21.343 7.926 ( 10.706 0.000 -4.397) 11.574 8.006 ( 9.480 0.000 5.501) 10.960 8.140 ( 8.668 0.000 -6.879) 11.066 8.204 ( 1.044 0.000 3.226) 3.391 8.443 ( 5.762 0.000 0.720) 5.807 8.523 ( -1.852 0.000 -8.261) 8.466 8.528 ( 10.831 0.000 9.072) 14.129 9.008 ( -2.052 0.000 -5.647) 6.008 9.533 ( 5.031 0.000 1.156) 5.162 9.652 ( 2.901 0.000 -0.164) 2.905 9.986 ( 8.081 0.000 8.908) 12.027 10.003 ( 0.243 0.000 -6.801) 6.806 10.158 ( -5.559 0.000 -8.795) 10.404 10.218 ( 6.699 0.000 3.629) 7.619 10.790 ( -10.386 0.000 -3.975) 11.121 10.849 ( -15.062 0.000 5.042) 15.883 11.477 ( -0.428 0.000 -2.704) 2.737 11.479 ( -4.398 0.000 5.978) 7.421 11.870 ( 4.058 0.000 5.939) 7.193 11.942 ( -3.327 0.000 -3.338) 4.712 11.956 ( -1.871 0.000 -2.263) 2.937 12.266 ( -4.065 0.000 -6.546) 7.705 13.995 ( 10.964 0.000 8.563) 13.911 14.208 ( 8.460 0.000 -1.575) 8.605 14.430 ( -0.622 0.000 -1.658) 1.771 14.441 ( 1.158 0.000 -0.050) 1.159 14.684 ( 1.605 0.000 4.614) 4.886 14.813 ( 1.737 0.000 -8.648) 8.820 16.689 ( 0.619 0.000 -1.225) 1.372 16.705 ( -0.227 0.000 0.885) 0.913 18.920 ( -0.108 0.000 3.754) 3.755 19.016 ( -0.085 0.000 -6.700) 6.700 19.914 ( 2.268 0.000 3.305) 4.008 20.038 ( -0.090 0.000 0.186) 0.206 20.164 ( -0.448 0.000 1.039) 1.132 20.221 ( 0.143 0.000 -2.802) 2.805 20.661 ( 2.070 0.000 0.015) 2.070 20.701 ( -1.217 0.000 -0.869) 1.495 20.830 ( 6.305 0.000 7.700) 9.951 21.108 ( 4.091 0.000 -4.256) 5.903 22.090 ( -1.151 0.000 -1.768) 2.110 22.123 ( -6.133 0.000 -2.539) 6.638 22.480 ( -1.201 0.000 0.200) 1.218 22.485 ( -0.552 0.000 -0.996) 1.138 22.658 ( -2.299 0.000 4.027) 4.637 22.703 ( -1.524 0.000 -1.928) 2.457 23.859 ( -0.339 0.000 0.976) 1.033 23.873 ( 0.214 0.000 -1.287) 1.304 24.175 ( -0.478 0.000 7.971) 7.985 24.360 ( -3.232 0.000 -5.955) 6.775 25.114 ( 19.791 0.000 10.124) 22.230 25.334 ( 9.751 0.000 -6.988) 11.997 25.667 ( 2.840 0.000 -1.773) 3.348 25.833 ( 10.530 0.000 16.138) 19.269 27.011 ( -15.794 0.000 16.039) 22.510 27.093 ( -32.630 0.000 -29.153) 43.756 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.951 10.381 26.802) 28.757 1.745 ( 8.263 14.390 26.787) 31.510 1.972 ( 4.640 2.994 -20.182) 20.924 2.345 ( -1.633 12.689 -25.738) 28.742 2.449 ( -1.343 24.759 34.507) 42.492 2.908 ( 0.542 18.287 -12.257) 22.021 3.586 ( -4.095 1.737 7.175) 8.442 3.620 ( -3.535 1.108 1.753) 4.098 3.775 ( 3.232 1.884 11.864) 12.440 3.894 ( 5.396 2.464 -0.189) 5.935 3.961 ( -1.180 2.433 -1.105) 2.921 4.126 ( -2.199 3.927 -7.509) 8.755 4.262 ( 0.202 -7.572 -2.499) 7.977 4.340 ( 1.586 -7.770 -4.680) 9.208 4.394 ( -3.913 -2.214 -1.877) 4.872 4.465 ( 2.114 1.054 -11.534) 11.773 4.577 ( -9.818 -8.592 2.659) 13.315 4.670 ( 10.425 -3.846 -5.957) 12.608 4.995 ( -9.145 -2.602 6.300) 11.406 5.144 ( 7.583 -4.714 -9.511) 13.046 5.245 ( -9.227 -12.597 8.935) 17.990 5.340 ( 8.859 -8.016 1.616) 12.056 5.463 ( -0.043 -4.082 -0.413) 4.103 5.527 ( -1.975 -6.882 -6.521) 9.684 5.658 ( -3.933 -8.225 0.381) 9.125 5.730 ( 1.891 -1.822 -6.979) 7.457 5.819 ( -0.683 -2.747 8.436) 8.898 5.904 ( -3.982 0.988 2.091) 4.605 6.041 ( 1.722 -4.655 -2.527) 5.569 6.085 ( 2.398 -2.820 -3.215) 4.903 6.275 ( 5.243 0.544 4.566) 6.974 6.394 ( -3.512 0.559 -6.480) 7.392 6.713 ( 2.218 0.037 2.318) 3.208 6.767 ( -2.348 3.021 -3.002) 4.863 7.185 ( 0.443 -0.245 3.144) 3.184 7.211 ( -2.350 0.095 0.884) 2.512 7.805 ( -0.987 6.384 2.182) 6.818 7.830 ( 3.484 8.435 0.995) 9.180 7.907 ( 1.051 -0.000 7.406) 7.480 8.027 ( -1.270 1.462 -3.706) 4.182 8.105 ( 2.272 0.724 2.933) 3.780 8.192 ( -2.140 -1.625 -4.504) 5.244 8.262 ( 3.961 2.682 2.255) 5.289 8.293 ( 1.869 5.371 1.320) 5.838 8.423 ( -4.765 1.647 -0.021) 5.042 8.496 ( -0.917 0.867 -6.696) 6.814 8.822 ( 8.850 7.091 8.444) 14.139 8.954 ( -8.095 5.858 -4.162) 10.824 9.580 ( 2.772 -4.694 2.256) 5.900 9.609 ( -1.803 -3.959 -0.845) 4.432 9.984 ( -0.059 -4.784 0.450) 4.805 10.007 ( -7.164 0.674 -1.138) 7.285 10.135 ( 5.716 -8.815 0.399) 10.513 10.198 ( 1.165 -6.373 -4.462) 7.866 10.577 ( -7.631 -0.440 5.742) 9.561 10.709 ( 8.729 1.573 -7.211) 11.431 11.413 ( 0.012 -0.825 7.149) 7.196 11.538 ( 0.205 2.107 -4.977) 5.409 11.793 ( -2.537 -2.628 10.237) 10.869 11.949 ( 1.632 1.852 -4.426) 5.068 12.165 ( -0.140 5.932 1.397) 6.096 12.246 ( -2.828 12.035 -7.293) 14.353 14.087 ( 0.750 -8.183 4.192) 9.225 14.158 ( 0.463 -12.453 -2.514) 12.713 14.338 ( 4.037 -0.599 8.583) 9.504 14.507 ( -3.641 2.260 -7.326) 8.487 14.746 ( -0.869 3.276 2.747) 4.363 14.837 ( -0.171 0.512 -6.026) 6.051 16.667 ( -0.791 -1.633 0.661) 1.931 16.686 ( 0.848 -1.662 -1.140) 2.187 18.889 ( -0.381 -0.312 5.611) 5.632 19.020 ( -0.095 1.117 -7.367) 7.452 19.903 ( -1.442 -3.510 4.567) 5.938 19.976 ( 1.052 -0.090 -2.566) 2.775 20.212 ( 1.950 1.119 0.024) 2.248 20.226 ( -1.177 1.423 -1.268) 2.240 20.765 ( 1.238 6.730 2.490) 7.282 20.786 ( -1.800 5.982 0.747) 6.291 21.020 ( 2.787 5.401 8.297) 10.285 21.209 ( -3.319 8.423 -10.949) 14.207 22.041 ( -0.707 1.162 1.663) 2.149 22.080 ( -0.461 0.985 -2.276) 2.522 22.516 ( -0.554 4.450 0.898) 4.573 22.532 ( 0.598 4.403 -0.897) 4.533 22.613 ( -0.357 -1.779 3.248) 3.720 22.671 ( 1.134 -2.069 -2.281) 3.282 23.705 ( -0.045 -13.163 1.837) 13.291 23.746 ( -0.577 -9.349 -2.467) 9.687 24.196 ( -0.276 0.385 6.819) 6.835 24.301 ( 0.064 -1.005 -2.852) 3.024 25.372 ( 2.133 1.867 1.973) 3.453 25.445 ( -2.992 4.448 -5.327) 7.557 25.898 ( 11.918 3.323 4.139) 13.046 25.950 ( -17.016 2.518 -0.949) 17.227 26.696 ( 1.553 -2.384 3.076) 4.190 26.769 ( 7.948 -0.959 -4.164) 9.024 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 13.961 14.772 15.090) 25.315 1.757 ( 2.578 21.408 26.340) 34.040 2.163 ( -8.704 9.651 -26.931) 29.903 2.197 ( 18.079 -3.642 -25.748) 31.671 2.901 ( 35.532 12.368 29.289) 47.680 3.252 ( 22.277 15.908 -4.610) 27.759 3.487 ( -7.879 1.612 3.214) 8.660 3.524 ( -2.459 2.698 4.241) 5.596 3.840 ( 1.226 1.519 10.228) 10.413 3.900 ( 2.491 1.229 0.482) 2.819 4.066 ( 4.661 -4.402 -5.457) 8.419 4.218 ( 0.762 0.168 -5.335) 5.392 4.260 ( 4.335 -1.855 1.058) 4.833 4.348 ( -2.279 -0.431 -1.822) 2.950 4.392 ( 3.305 -6.347 -1.813) 7.382 4.456 ( 5.539 -4.980 -4.671) 8.792 4.545 ( 3.869 2.128 -3.192) 5.448 4.801 ( -1.309 4.019 -0.377) 4.243 4.891 ( 4.644 -5.483 -2.411) 7.579 5.010 ( -9.696 -8.933 6.614) 14.750 5.213 ( -1.249 -7.733 -6.244) 10.018 5.445 ( 2.489 -4.283 1.770) 5.261 5.481 ( 1.518 -7.213 -0.531) 7.390 5.499 ( -3.367 -5.930 2.102) 7.136 5.622 ( 3.160 -8.451 -1.081) 9.087 5.682 ( -5.346 -3.159 1.655) 6.427 5.828 ( 1.900 0.477 2.534) 3.203 5.901 ( 3.110 -1.030 4.975) 5.957 6.143 ( 2.510 0.150 -2.884) 3.826 6.174 ( 10.578 -5.736 -6.576) 13.713 6.319 ( -3.596 -0.822 -7.219) 8.107 6.394 ( 6.537 -0.874 3.663) 7.544 6.706 ( -0.835 0.780 -1.448) 1.845 6.825 ( 5.264 3.192 1.869) 6.434 7.173 ( -1.251 1.016 4.114) 4.418 7.206 ( 1.177 1.289 3.900) 4.273 7.713 ( -10.589 4.964 0.916) 11.731 7.759 ( -10.389 5.275 1.506) 11.749 7.862 ( -8.337 3.109 3.415) 9.530 7.919 ( -9.874 -0.793 -2.804) 10.295 7.963 ( -8.531 2.998 -2.340) 9.340 8.037 ( -11.663 -1.338 -0.698) 11.760 8.163 ( -9.190 4.085 -5.428) 11.428 8.254 ( -3.171 -4.386 1.309) 5.569 8.372 ( -4.505 -0.472 1.584) 4.798 8.533 ( 1.276 5.325 -2.503) 6.021 8.777 ( -9.550 6.007 -6.925) 13.238 8.925 ( 0.966 8.367 8.219) 11.768 9.535 ( -3.868 -2.468 -1.545) 4.842 9.595 ( -5.828 -1.253 4.456) 7.443 9.872 ( -4.170 -3.965 3.161) 6.565 9.985 ( 3.308 -2.611 2.972) 5.157 10.171 ( 0.350 -2.618 -4.081) 4.861 10.201 ( -0.138 -1.210 -5.001) 5.147 10.620 ( 8.666 -6.717 4.224) 11.749 10.978 ( 14.180 -1.154 -8.571) 16.609 11.424 ( 0.588 -0.974 6.965) 7.057 11.586 ( 4.683 -0.662 -5.724) 7.425 11.724 ( -4.395 -0.919 11.342) 12.199 11.980 ( 1.365 -0.233 -5.735) 5.900 12.071 ( -3.282 9.862 2.378) 10.662 12.321 ( 5.483 10.693 -0.966) 12.056 14.026 ( -5.887 -8.345 1.094) 10.271 14.117 ( -6.010 -6.592 -0.917) 8.968 14.351 ( -1.850 -0.487 2.470) 3.125 14.422 ( -2.878 -1.738 -1.874) 3.849 14.702 ( -2.920 2.911 4.137) 5.841 14.818 ( -1.331 0.890 -5.535) 5.762 16.655 ( -0.354 -1.133 0.378) 1.246 16.700 ( 0.429 -1.844 -1.030) 2.155 18.887 ( 0.067 0.273 5.821) 5.828 19.016 ( -0.260 0.860 -7.019) 7.076 19.871 ( -1.467 -3.466 4.299) 5.714 19.997 ( 0.868 0.171 -1.978) 2.166 20.208 ( -0.364 1.603 -1.377) 2.145 20.245 ( 1.039 1.556 -0.967) 2.106 20.750 ( -1.498 7.203 0.613) 7.382 20.792 ( 1.251 5.511 3.244) 6.516 20.982 ( -5.890 5.946 4.801) 9.649 21.080 ( -7.595 6.068 -4.643) 10.773 22.076 ( 3.360 1.134 0.358) 3.565 22.114 ( 2.971 1.803 0.020) 3.475 22.512 ( 0.241 3.762 0.934) 3.884 22.544 ( 0.655 4.463 -0.964) 4.612 22.636 ( 2.293 -2.059 1.977) 3.662 22.713 ( 2.780 -1.230 -2.676) 4.050 23.703 ( -0.155 -13.074 1.877) 13.209 23.730 ( -0.847 -10.745 -1.396) 10.868 24.208 ( 1.282 -0.658 7.870) 8.001 24.327 ( 2.500 0.110 -3.148) 4.022 25.285 ( -14.556 10.053 8.047) 19.434 25.313 ( -6.766 6.063 -4.760) 10.256 25.646 ( -5.212 6.297 4.558) 9.359 26.010 ( -1.599 1.711 1.589) 2.830 26.701 ( 9.743 -2.560 5.530) 11.492 27.316 ( 26.904 -13.061 -22.287) 37.298 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 15.515 10.953 7.064) 20.263 2.017 ( 12.051 10.866 -4.383) 16.808 2.148 ( 13.759 12.975 -1.410) 18.964 2.621 ( 23.924 -6.336 -22.783) 33.639 3.208 ( -14.062 7.419 6.664) 17.239 3.280 ( -9.526 3.611 -1.040) 10.240 3.533 ( 3.694 -4.070 9.539) 11.009 3.731 ( 12.027 0.111 6.721) 13.778 3.848 ( 4.249 3.703 10.421) 11.847 4.009 ( 1.128 -11.050 0.185) 11.109 4.081 ( -3.263 -7.257 9.238) 12.192 4.130 ( 6.849 3.818 -2.504) 8.232 4.257 ( 2.116 1.117 0.134) 2.396 4.487 ( 8.497 9.092 -13.210) 18.148 4.510 ( 8.149 -4.746 0.288) 9.435 4.591 ( 2.318 0.053 1.579) 2.805 4.697 ( 14.673 2.550 -2.707) 15.137 4.906 ( 10.046 -1.578 3.152) 10.646 4.933 ( 7.154 3.000 -0.825) 7.801 5.079 ( 9.587 -1.290 -4.890) 10.840 5.168 ( -1.171 -7.590 -5.711) 9.570 5.398 ( -4.754 -6.341 1.035) 7.992 5.500 ( 4.727 -6.237 3.769) 8.686 5.521 ( -2.232 -8.164 7.331) 11.198 5.599 ( 3.532 -1.103 -2.358) 4.388 5.739 ( 5.176 0.038 1.133) 5.298 5.915 ( 7.035 -4.989 0.942) 8.676 5.973 ( 3.301 2.953 4.329) 6.193 6.144 ( -1.939 0.878 -3.710) 4.277 6.263 ( -1.720 -4.239 -4.709) 6.565 6.410 ( 11.379 -4.262 -5.459) 13.321 6.508 ( 4.277 1.330 4.044) 6.035 6.718 ( 2.189 1.361 -1.659) 3.066 6.894 ( 0.048 1.080 1.900) 2.186 7.123 ( -6.084 1.986 5.235) 8.268 7.200 ( -3.673 2.196 4.421) 6.153 7.381 ( -21.170 -1.100 -1.571) 21.257 7.451 ( -10.512 8.151 -3.490) 13.753 7.619 ( -22.598 2.437 0.530) 22.735 7.731 ( -8.120 2.556 3.079) 9.052 7.777 ( -8.676 -0.549 -5.805) 10.453 7.847 ( -1.458 0.855 -2.855) 3.317 8.052 ( -9.879 -0.161 -8.770) 13.211 8.114 ( -7.720 -7.217 7.621) 13.030 8.263 ( -1.970 -2.657 -0.124) 3.310 8.512 ( -7.577 6.584 -0.409) 10.046 8.613 ( -1.796 4.640 -9.235) 10.490 8.863 ( -6.534 11.083 6.856) 14.578 9.373 ( -11.817 0.564 7.073) 13.784 9.477 ( -3.438 2.089 -0.520) 4.056 9.866 ( 1.497 -3.671 1.274) 4.164 10.047 ( -1.480 1.227 -2.976) 3.543 10.203 ( 5.409 0.340 0.782) 5.476 10.264 ( 6.739 -2.691 -2.176) 7.576 10.810 ( 9.106 -5.611 5.721) 12.130 11.177 ( 6.163 -0.137 -9.001) 10.909 11.432 ( 0.398 -1.621 4.660) 4.950 11.614 ( -4.770 2.622 5.544) 7.770 11.705 ( 4.050 -6.767 0.631) 7.912 11.970 ( -1.190 -4.185 -9.225) 10.199 12.113 ( 5.646 10.390 7.921) 14.233 12.406 ( 2.743 9.839 -1.243) 10.290 13.892 ( -6.476 -4.622 -1.406) 8.079 13.960 ( -8.035 -2.524 -0.442) 8.434 14.329 ( -1.035 -4.046 3.817) 5.658 14.383 ( -0.863 -5.748 -2.907) 6.499 14.653 ( -1.925 3.019 5.397) 6.477 14.792 ( -1.061 0.174 -6.882) 6.966 16.654 ( 0.240 -0.976 0.265) 1.039 16.702 ( -0.224 -1.702 -1.042) 2.008 18.889 ( -0.086 0.146 5.485) 5.488 19.008 ( -0.358 0.659 -6.891) 6.931 19.856 ( -0.073 -2.722 3.935) 4.785 20.003 ( -0.377 0.584 -2.504) 2.599 20.211 ( 0.453 1.492 -1.264) 2.007 20.249 ( -0.561 1.538 -1.110) 1.978 20.733 ( -0.095 8.174 0.332) 8.181 20.811 ( 0.551 2.824 2.888) 4.077 20.860 ( -5.224 8.576 1.550) 10.161 20.944 ( -5.900 3.751 0.480) 7.008 22.144 ( 2.830 1.213 0.773) 3.174 22.164 ( 1.955 2.447 0.010) 3.132 22.526 ( 1.124 3.837 0.927) 4.104 22.558 ( 0.645 3.803 -0.428) 3.881 22.688 ( 2.594 -1.688 1.002) 3.253 22.763 ( 1.957 -0.870 -2.821) 3.542 23.700 ( -0.159 -13.282 1.591) 13.378 23.718 ( -0.315 -11.358 -0.911) 11.399 24.245 ( 2.260 -1.227 9.553) 9.893 24.387 ( 3.257 -0.029 -3.027) 4.446 24.997 ( -12.353 18.034 15.194) 26.621 25.181 ( -5.899 10.479 -9.694) 15.446 25.642 ( 1.980 3.845 3.406) 5.506 25.927 ( -5.043 1.318 -3.577) 6.322 26.962 ( 13.406 -6.599 16.744) 22.441 27.687 ( 11.392 -16.374 -29.920) 35.960 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 3.107 6.321 -7.280) 10.129 2.177 ( 13.537 2.300 -6.761) 15.305 2.590 ( 22.368 13.293 10.188) 27.943 2.883 ( -14.093 8.565 11.557) 20.138 2.999 ( 5.610 -2.314 -9.640) 11.391 3.197 ( 4.015 5.752 -16.294) 17.740 3.332 ( -7.780 -4.985 -3.286) 9.807 3.430 ( -23.091 -8.682 11.644) 27.280 4.017 ( 0.048 -1.916 7.897) 8.127 4.029 ( -1.875 -8.562 3.211) 9.334 4.159 ( 6.673 -13.079 3.771) 15.160 4.230 ( 6.712 -5.936 0.940) 9.009 4.448 ( 6.802 7.365 0.683) 10.048 4.593 ( 0.615 7.604 -10.942) 13.339 4.643 ( 4.771 -4.376 3.692) 7.453 4.667 ( 2.854 -4.533 1.228) 5.496 4.914 ( 1.449 -4.367 9.496) 10.552 5.049 ( 4.744 -2.485 -3.117) 6.196 5.123 ( 8.685 8.996 7.149) 14.404 5.203 ( 7.061 0.590 -14.011) 15.701 5.272 ( 2.974 3.467 0.701) 4.621 5.365 ( 3.401 -0.345 -1.253) 3.640 5.528 ( 7.584 -4.894 -3.093) 9.541 5.628 ( 1.997 -7.942 4.260) 9.231 5.725 ( 8.774 -1.318 -0.943) 8.923 5.831 ( 2.235 0.735 1.852) 2.994 5.957 ( -4.873 1.363 2.075) 5.469 6.070 ( 4.050 -2.656 -2.159) 5.302 6.095 ( -0.774 1.380 2.293) 2.786 6.254 ( 1.137 0.714 -3.108) 3.386 6.521 ( 3.852 2.153 4.875) 6.575 6.633 ( 7.472 -3.133 2.370) 8.442 6.734 ( -6.042 0.495 -0.395) 6.075 6.841 ( 4.764 2.225 -2.465) 5.807 6.974 ( -1.181 -0.567 1.585) 2.056 7.013 ( -17.701 -0.842 -2.586) 17.909 7.096 ( -16.320 3.415 -3.292) 16.996 7.213 ( -7.102 -0.960 -1.322) 7.287 7.398 ( 2.942 5.364 -4.466) 7.575 7.523 ( -9.910 3.807 2.406) 10.886 7.657 ( -4.589 -1.553 -1.378) 5.037 7.749 ( -11.502 -0.420 -1.822) 11.653 7.950 ( 8.953 -0.910 -2.977) 9.479 8.048 ( -4.496 -3.087 5.032) 7.420 8.223 ( -7.677 -0.697 10.928) 13.373 8.358 ( 0.090 -1.674 -11.255) 11.379 8.636 ( -0.652 6.895 3.746) 7.874 8.743 ( -2.147 10.605 -3.674) 11.427 9.221 ( -1.737 2.291 8.815) 9.272 9.416 ( -2.627 2.759 -5.114) 6.377 9.878 ( -0.532 0.289 0.504) 0.787 9.972 ( -3.651 -0.020 -6.439) 7.402 10.335 ( 5.213 -0.130 4.126) 6.649 10.389 ( 4.318 -2.384 -0.891) 5.012 10.956 ( 5.502 -1.350 9.410) 10.984 11.235 ( -0.190 -0.058 -9.818) 9.820 11.467 ( 3.420 -0.892 1.065) 3.692 11.506 ( -5.135 2.002 4.159) 6.905 11.753 ( 0.510 -6.029 4.790) 7.717 11.955 ( -0.204 -7.656 -11.615) 13.912 12.230 ( 5.196 8.850 8.931) 13.604 12.421 ( -1.145 8.611 -2.764) 9.116 13.793 ( -3.905 -1.784 2.031) 4.750 13.845 ( -2.582 -3.171 -3.934) 5.674 14.294 ( -2.188 -7.356 7.501) 10.731 14.393 ( 1.455 -4.822 -5.859) 7.726 14.630 ( -0.356 2.746 5.959) 6.571 14.778 ( -0.254 -0.542 -8.427) 8.448 16.663 ( 0.566 -1.052 0.384) 1.255 16.693 ( -0.627 -1.468 -1.102) 1.940 18.885 ( -0.259 -0.121 5.167) 5.175 19.004 ( 0.050 0.552 -6.916) 6.938 19.868 ( 1.107 -2.251 4.231) 4.918 19.983 ( -1.396 1.177 -3.735) 4.158 20.215 ( -0.425 0.482 0.132) 0.656 20.236 ( -0.217 2.117 -1.460) 2.581 20.753 ( 2.254 9.592 -0.450) 9.864 20.775 ( -3.718 8.704 3.565) 10.114 20.819 ( 0.177 2.679 2.683) 3.796 20.866 ( -1.630 1.852 -1.485) 2.880 22.168 ( -0.096 1.449 2.859) 3.207 22.205 ( 2.095 2.611 -2.785) 4.355 22.549 ( 0.790 4.390 1.358) 4.663 22.567 ( 0.419 3.075 -0.578) 3.156 22.729 ( 1.349 -1.425 1.060) 2.230 22.782 ( -0.065 -1.009 -2.633) 2.820 23.697 ( -0.195 -13.800 1.357) 13.868 23.718 ( 0.338 -10.870 -1.215) 10.943 24.291 ( 1.922 -1.866 10.612) 10.945 24.434 ( 0.984 -1.059 -1.252) 1.912 24.821 ( -5.431 20.225 15.341) 25.959 25.102 ( -1.470 13.827 -13.527) 19.400 25.688 ( 2.329 3.277 3.947) 5.634 25.833 ( -4.293 1.151 -3.282) 5.525 27.175 ( 7.272 -8.595 21.455) 24.230 27.795 ( 0.783 -16.320 -31.177) 35.199 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -10.230 6.829 -1.873) 12.442 2.109 ( -15.061 6.488 -3.025) 16.675 2.667 ( -20.865 -1.378 19.592) 28.655 2.846 ( -14.872 6.771 -11.907) 20.218 2.947 ( 9.556 2.713 6.946) 12.121 3.101 ( 6.999 5.373 -7.230) 11.407 3.265 ( 15.442 -1.215 2.773) 15.736 3.661 ( 19.045 -2.962 -9.066) 21.300 3.983 ( -2.891 -7.669 5.795) 10.038 4.038 ( 2.352 -5.426 4.265) 7.291 4.224 ( -0.511 -7.784 3.197) 8.430 4.265 ( -6.171 -9.961 -5.617) 12.994 4.406 ( -8.137 7.272 6.704) 12.808 4.484 ( -8.004 4.905 -3.023) 9.862 4.687 ( -1.457 -4.054 -0.803) 4.382 4.731 ( 1.174 -3.598 -4.088) 5.571 4.807 ( -7.265 -6.504 15.164) 18.029 5.026 ( -14.116 2.577 -3.052) 14.671 5.070 ( -4.450 -0.984 2.155) 5.041 5.217 ( -7.110 6.318 7.213) 11.937 5.314 ( -0.555 5.464 -10.771) 12.090 5.436 ( -0.579 2.757 -8.177) 8.649 5.557 ( -1.314 -6.069 -2.880) 6.845 5.631 ( -5.907 -5.337 0.515) 7.978 5.764 ( 4.006 -1.564 -2.705) 5.080 5.855 ( -7.202 -3.019 1.564) 7.964 5.960 ( 5.842 -1.670 3.980) 7.264 6.014 ( -1.522 -3.988 -3.339) 5.419 6.189 ( 1.484 1.868 0.571) 2.453 6.235 ( -2.815 2.987 -5.440) 6.814 6.595 ( -11.680 -0.810 -0.733) 11.731 6.622 ( -6.951 -0.053 2.230) 7.300 6.706 ( 6.477 1.490 3.300) 7.421 6.815 ( 2.592 4.885 -0.048) 5.530 6.959 ( 15.642 0.045 -0.921) 15.669 7.067 ( 7.864 1.788 -3.278) 8.706 7.080 ( 3.761 -6.686 -3.803) 8.562 7.176 ( 15.265 -0.819 0.894) 15.313 7.348 ( -3.345 6.794 1.037) 7.643 7.584 ( 0.839 1.196 5.413) 5.606 7.605 ( 11.934 1.112 -5.364) 13.131 7.702 ( 3.248 -0.013 3.617) 4.861 7.889 ( -9.885 1.636 2.645) 10.363 8.080 ( -1.672 -2.722 9.027) 9.575 8.142 ( 7.983 -0.348 -0.577) 8.012 8.420 ( 1.935 0.837 -3.300) 3.916 8.576 ( -1.546 8.708 0.616) 8.865 8.829 ( 8.438 5.741 -5.690) 11.685 9.285 ( 5.744 -0.239 6.366) 8.577 9.416 ( 4.073 3.168 -8.345) 9.811 9.849 ( -1.556 1.424 3.497) 4.084 9.942 ( 0.457 0.630 -4.212) 4.283 10.347 ( -4.188 -1.641 3.177) 5.507 10.403 ( -3.036 -2.028 -2.244) 4.285 11.032 ( 1.829 0.814 9.538) 9.746 11.154 ( -7.990 -2.915 -8.917) 12.323 11.435 ( -0.700 0.210 2.687) 2.784 11.567 ( 4.725 2.013 -0.017) 5.136 11.743 ( -0.710 -4.343 4.835) 6.538 11.951 ( -0.318 -8.600 -11.007) 13.972 12.288 ( -0.787 8.826 7.385) 11.535 12.381 ( -1.392 7.700 -2.790) 8.307 13.751 ( 0.340 0.808 3.491) 3.599 13.858 ( 3.365 -5.137 -2.857) 6.772 14.256 ( -1.626 -9.589 7.261) 12.138 14.427 ( 1.949 -2.877 -5.079) 6.154 14.641 ( 1.333 2.367 5.326) 5.979 14.778 ( 0.387 -0.570 -8.873) 8.899 16.674 ( 0.346 -1.310 0.490) 1.440 16.680 ( -0.460 -1.226 -1.031) 1.667 18.883 ( 0.055 -0.394 4.992) 5.008 19.009 ( 0.522 0.560 -7.037) 7.078 19.889 ( 0.660 -0.938 4.337) 4.486 19.961 ( -0.368 0.204 -3.932) 3.954 20.198 ( -0.987 0.304 1.301) 1.661 20.240 ( 0.387 1.959 -1.330) 2.399 20.720 ( -1.594 9.334 3.033) 9.943 20.791 ( 0.060 5.286 1.497) 5.494 20.834 ( 1.822 7.436 0.343) 7.664 20.889 ( 4.448 1.304 -2.372) 5.206 22.156 ( -0.999 2.294 2.194) 3.328 22.233 ( 0.541 1.564 -3.560) 3.926 22.547 ( -0.753 3.646 1.208) 3.914 22.576 ( 0.130 3.680 -0.938) 3.800 22.735 ( -0.774 -1.215 1.840) 2.336 22.761 ( -1.842 -1.524 -2.227) 3.267 23.695 ( 0.020 -14.062 1.146) 14.108 23.728 ( 0.635 -9.630 -1.936) 9.843 24.305 ( -0.973 -0.559 9.448) 9.514 24.422 ( -1.790 -2.205 0.834) 2.960 24.795 ( 2.676 18.834 14.524) 23.933 25.130 ( 4.445 14.574 -13.602) 20.425 25.724 ( 0.566 2.341 4.631) 5.219 25.764 ( -1.904 2.581 -1.248) 3.441 27.243 ( -0.842 -9.747 22.233) 24.290 27.726 ( -7.367 -15.343 -31.726) 36.003 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -17.455 10.450 13.297) 24.304 1.965 ( -4.951 11.446 -6.069) 13.869 2.140 ( -27.866 -3.323 24.393) 37.183 2.464 ( -16.833 7.998 -20.247) 27.518 3.256 ( 10.799 3.375 3.732) 11.914 3.313 ( 12.085 5.001 -3.432) 13.522 3.506 ( -4.706 5.121 9.974) 12.159 3.795 ( -8.917 1.562 7.542) 11.783 3.837 ( -7.770 1.210 -0.995) 7.926 3.987 ( -12.970 -6.442 0.957) 14.513 4.082 ( 0.852 0.679 5.655) 5.759 4.208 ( -0.125 -1.552 0.870) 1.784 4.287 ( -3.537 -1.099 -0.204) 3.709 4.368 ( 0.357 -1.953 -5.231) 5.595 4.566 ( -8.112 -5.150 2.198) 9.857 4.625 ( -12.841 3.795 -3.834) 13.928 4.708 ( -2.051 -0.218 -10.392) 10.595 4.847 ( 0.830 -8.843 3.915) 9.706 5.012 ( -8.344 4.141 0.049) 9.315 5.072 ( -10.034 1.037 -3.166) 10.573 5.108 ( -4.659 -4.440 -3.658) 7.403 5.427 ( -1.341 -9.935 0.374) 10.032 5.503 ( 0.332 0.066 -0.114) 0.357 5.638 ( 2.361 -0.879 -3.475) 4.292 5.701 ( -5.186 -9.562 -5.363) 12.128 5.784 ( -4.660 -0.818 -4.038) 6.221 5.936 ( -4.479 -6.530 -1.772) 8.115 6.040 ( 1.888 0.423 1.084) 2.217 6.106 ( -5.379 2.288 -3.765) 6.953 6.184 ( -3.039 0.599 2.086) 3.735 6.277 ( -13.184 -4.180 6.734) 15.383 6.591 ( -2.160 2.668 -3.916) 5.208 6.718 ( -5.565 -0.346 -1.593) 5.799 6.902 ( 2.658 0.071 0.658) 2.739 7.182 ( 4.853 -1.216 0.296) 5.012 7.256 ( 3.793 3.796 -0.519) 5.391 7.328 ( 21.453 -2.156 4.859) 22.102 7.432 ( 14.684 6.018 -2.584) 16.079 7.584 ( 18.257 1.729 7.042) 19.644 7.696 ( 2.565 1.200 0.627) 2.900 7.714 ( 8.222 2.337 1.922) 8.761 7.829 ( 9.293 2.096 7.312) 12.009 7.893 ( 11.201 -0.311 -3.010) 11.602 8.177 ( 10.662 -1.547 2.680) 11.102 8.252 ( 2.571 -0.495 -2.271) 3.466 8.441 ( 2.804 8.067 6.289) 10.606 8.600 ( 2.720 5.434 -6.907) 9.200 9.004 ( 7.302 5.003 -5.466) 10.403 9.402 ( 5.703 -3.011 2.626) 6.963 9.544 ( 6.989 2.153 -5.406) 9.094 9.865 ( 3.974 -0.778 4.004) 5.694 9.968 ( 1.698 1.918 -0.019) 2.561 10.208 ( -8.165 -2.821 3.300) 9.247 10.286 ( -7.828 -1.954 -5.324) 9.667 10.938 ( -11.770 -5.147 -6.445) 14.372 11.020 ( -4.777 -0.447 6.695) 8.237 11.446 ( 0.395 -1.196 3.359) 3.588 11.600 ( -1.403 -0.774 2.866) 3.284 11.770 ( 3.258 2.121 -0.064) 3.888 11.934 ( -1.307 -6.529 -7.627) 10.125 12.207 ( -5.320 8.919 -0.079) 10.386 12.380 ( 0.008 7.864 0.118) 7.865 13.822 ( 6.697 0.837 3.885) 7.788 13.965 ( 7.205 -6.327 -0.001) 9.589 14.235 ( -0.553 -10.703 6.377) 12.471 14.469 ( 2.460 -0.663 -4.421) 5.103 14.680 ( 2.444 2.487 4.032) 5.331 14.790 ( 1.005 -0.025 -7.975) 8.038 16.669 ( -0.188 -1.307 -1.043) 1.682 16.682 ( 0.155 -1.456 0.663) 1.607 18.889 ( 0.382 -0.782 4.941) 5.017 19.019 ( 0.432 0.782 -7.291) 7.345 19.897 ( 0.429 0.949 2.386) 2.603 19.965 ( 0.383 -2.217 -1.579) 2.748 20.182 ( -0.513 0.475 1.453) 1.612 20.247 ( 0.245 1.447 -0.829) 1.685 20.720 ( 1.393 9.374 2.312) 9.755 20.786 ( 0.135 1.224 3.553) 3.760 20.862 ( 1.239 9.836 -0.231) 9.916 21.024 ( 8.211 4.617 -4.337) 10.371 22.135 ( -1.116 2.486 0.589) 2.788 22.214 ( -2.742 0.449 -3.753) 4.670 22.530 ( -0.781 3.315 0.712) 3.479 22.565 ( -1.140 4.186 -1.085) 4.473 22.700 ( -2.608 -0.983 3.066) 4.144 22.716 ( -2.439 -2.161 -1.977) 3.811 23.698 ( 0.265 -14.020 1.074) 14.064 23.741 ( 0.608 -8.278 -2.717) 8.734 24.264 ( -2.745 2.191 7.916) 8.660 24.376 ( -2.719 -3.529 -0.991) 4.564 24.934 ( 11.240 15.184 14.473) 23.798 25.261 ( 8.454 12.054 -10.487) 18.076 25.690 ( -2.134 0.892 -0.640) 2.400 25.788 ( 3.057 5.819 7.830) 10.223 27.142 ( -9.835 -11.156 17.572) 23.021 27.488 ( -16.607 -12.047 -28.551) 35.158 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.993 12.052 29.121) 31.532 1.666 ( -16.346 2.164 27.249) 31.850 1.929 ( 0.202 7.938 -13.603) 15.751 2.270 ( -0.281 15.491 -24.391) 28.896 2.883 ( -32.748 26.859 29.892) 51.840 3.254 ( -25.246 5.472 -9.178) 27.414 3.545 ( 9.721 2.531 -1.616) 10.174 3.599 ( 4.085 4.243 -2.540) 6.414 3.797 ( -6.074 -3.251 10.810) 12.818 3.892 ( -3.624 -1.450 8.586) 9.431 4.038 ( -5.168 -1.300 -4.745) 7.136 4.185 ( 1.304 0.443 2.156) 2.558 4.279 ( 2.942 -3.564 -3.971) 6.093 4.329 ( -9.112 2.008 0.897) 9.373 4.448 ( 2.379 -4.831 -8.310) 9.902 4.478 ( -4.434 -1.108 -10.168) 11.148 4.647 ( -10.491 -1.352 -9.736) 14.376 4.726 ( -4.901 -3.968 4.465) 7.727 4.946 ( 7.719 -2.440 -6.503) 10.384 5.095 ( 4.024 -8.379 0.866) 9.335 5.132 ( 5.774 -5.303 1.104) 7.917 5.383 ( -3.931 -10.566 7.818) 13.719 5.494 ( -2.723 -7.986 -2.825) 8.898 5.609 ( -6.711 -5.606 -6.070) 10.644 5.658 ( 2.900 0.465 -4.935) 5.743 5.703 ( -0.261 -6.941 -2.218) 7.291 5.867 ( -3.243 -3.855 3.448) 6.104 6.001 ( -5.111 2.484 -3.026) 6.438 6.046 ( -1.435 -0.338 -0.157) 1.482 6.110 ( -4.566 -1.849 0.777) 4.987 6.179 ( 3.473 -3.023 5.946) 7.520 6.489 ( -6.312 1.373 -5.065) 8.209 6.677 ( 0.880 0.399 1.317) 1.633 6.856 ( -5.181 2.028 -1.255) 5.703 7.195 ( -1.263 -1.299 1.465) 2.330 7.252 ( -1.694 0.960 0.260) 1.964 7.687 ( 9.331 5.128 7.749) 13.168 7.763 ( 9.047 7.280 1.559) 11.716 7.804 ( 15.409 -1.874 1.953) 15.645 7.834 ( 11.276 1.048 6.870) 13.246 7.946 ( 9.195 2.456 -2.078) 9.742 8.078 ( 13.376 5.318 0.703) 14.412 8.110 ( 9.947 -1.509 -4.582) 11.055 8.256 ( -0.077 3.061 -0.114) 3.064 8.400 ( 7.266 -3.276 -0.345) 7.978 8.541 ( 4.014 3.851 0.013) 5.563 8.654 ( 4.174 8.669 1.952) 9.818 9.060 ( -1.716 4.737 -4.130) 6.515 9.495 ( 4.221 -3.705 2.404) 6.109 9.640 ( 1.351 -0.538 -0.801) 1.660 9.964 ( 1.896 -3.343 -6.107) 7.216 10.003 ( 4.874 0.565 5.583) 7.433 10.129 ( -0.742 -3.791 -0.508) 3.896 10.140 ( -3.479 -3.997 -1.972) 5.653 10.722 ( -8.193 -3.599 -5.772) 10.648 10.836 ( -13.766 -1.950 5.854) 15.086 11.430 ( -1.543 -1.647 6.663) 7.034 11.561 ( -1.952 1.370 -3.044) 3.867 11.818 ( 0.431 -0.202 6.568) 6.585 11.919 ( 0.749 -0.319 -6.086) 6.140 12.138 ( -0.791 8.926 -2.403) 9.277 12.349 ( -3.740 7.615 -4.273) 9.499 13.985 ( 8.277 -2.763 4.038) 9.616 14.111 ( 5.851 -9.648 0.373) 11.289 14.247 ( 2.604 -7.227 6.588) 10.121 14.518 ( 1.980 1.358 -4.989) 5.537 14.729 ( 2.109 3.069 2.720) 4.611 14.817 ( 1.723 0.415 -6.615) 6.848 16.672 ( 0.469 -1.442 -1.082) 1.863 16.680 ( -0.383 -1.733 0.712) 1.912 18.894 ( -0.021 -0.973 5.052) 5.144 19.022 ( 0.037 1.084 -7.512) 7.590 19.911 ( 0.628 -0.177 2.945) 3.017 19.967 ( -0.059 -2.274 -1.737) 2.862 20.183 ( 0.725 0.855 1.096) 1.567 20.245 ( -0.514 0.903 -0.940) 1.402 20.746 ( 0.846 7.925 1.080) 8.043 20.804 ( 0.443 1.737 3.463) 3.900 20.915 ( 5.223 10.237 3.829) 12.113 21.175 ( 6.050 7.145 -7.562) 12.035 22.101 ( -2.950 0.782 -1.961) 3.628 22.130 ( -4.620 1.161 -1.592) 5.022 22.522 ( -0.087 3.654 0.548) 3.696 22.538 ( -1.288 4.521 -0.701) 4.752 22.645 ( -2.610 -0.969 3.700) 4.631 22.675 ( -1.415 -2.558 -2.005) 3.545 23.703 ( 0.202 -13.643 1.373) 13.713 23.750 ( 0.249 -8.055 -3.060) 8.621 24.217 ( -1.862 1.964 6.929) 7.438 24.324 ( -2.204 -2.620 -2.392) 4.176 25.208 ( 13.829 7.573 5.910) 16.838 25.427 ( 6.377 7.308 -6.194) 11.508 25.692 ( 4.637 2.650 0.528) 5.367 25.906 ( 9.912 6.853 11.045) 16.347 26.851 ( -19.320 -11.997 1.070) 22.767 27.085 ( -21.748 -3.059 -9.702) 24.010 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.580 22.721 12.961) 26.402 2.020 ( 5.405 14.667 -2.839) 15.887 2.202 ( 8.768 17.950 13.992) 24.390 2.621 ( -7.130 15.266 -19.190) 25.537 3.039 ( -9.448 29.931 21.548) 38.071 3.315 ( 7.361 19.276 -7.259) 21.873 3.590 ( -2.843 -1.782 5.978) 6.855 3.641 ( -2.414 1.222 1.611) 3.149 3.818 ( 5.649 -1.923 6.237) 8.632 3.942 ( 1.851 -4.816 2.502) 5.734 3.947 ( 2.320 3.871 1.890) 4.893 4.068 ( -2.860 -10.940 -1.952) 11.475 4.192 ( 0.190 -2.643 -6.736) 7.239 4.237 ( -5.036 5.635 -4.795) 8.951 4.403 ( -1.953 2.660 2.665) 4.242 4.460 ( -8.356 -0.307 2.892) 8.848 4.514 ( 6.838 -7.197 -1.238) 10.005 4.601 ( 4.176 8.385 -18.653) 20.873 4.892 ( -5.565 -9.175 1.694) 10.863 4.980 ( 6.459 -13.601 -7.364) 16.761 5.032 ( -7.597 -4.236 10.911) 13.954 5.176 ( 4.524 -6.474 -0.639) 7.924 5.260 ( 1.070 -15.876 -0.124) 15.913 5.337 ( -0.551 -10.949 -6.099) 12.545 5.559 ( -5.907 -2.562 0.577) 6.465 5.607 ( 5.224 -9.047 -3.933) 11.163 5.760 ( -0.808 -0.151 4.261) 4.339 5.861 ( -0.721 -3.640 -4.423) 5.773 5.985 ( -3.972 0.911 4.919) 6.387 6.081 ( 3.699 -0.217 -3.966) 5.427 6.297 ( 6.226 -1.020 1.469) 6.478 6.388 ( -5.981 -2.511 -6.572) 9.234 6.675 ( 0.343 -2.083 6.597) 6.927 6.796 ( 0.079 0.354 -5.129) 5.141 7.174 ( 1.692 -0.937 2.982) 3.555 7.213 ( -2.378 -0.376 -0.128) 2.411 7.884 ( 3.877 -2.282 6.741) 8.105 7.931 ( -2.311 5.006 5.042) 7.471 8.005 ( 1.027 5.497 -0.200) 5.596 8.066 ( -0.336 3.438 -3.467) 4.894 8.170 ( 2.928 5.084 -0.163) 5.869 8.174 ( -1.916 0.682 -1.194) 2.358 8.331 ( 1.759 4.029 3.313) 5.505 8.411 ( -1.428 5.899 -1.501) 6.253 8.452 ( 0.635 1.624 1.325) 2.190 8.522 ( -1.952 2.480 -6.218) 6.973 8.967 ( 7.616 5.593 6.862) 11.678 9.068 ( -7.109 3.892 -2.955) 8.627 9.476 ( 5.381 -4.508 1.603) 7.201 9.526 ( -4.348 -2.650 -3.962) 6.452 9.859 ( -5.185 -4.831 4.786) 8.552 9.988 ( 4.462 -4.059 -7.850) 9.900 10.062 ( -7.742 1.328 4.966) 9.293 10.144 ( 7.358 0.810 -2.689) 7.875 10.571 ( -7.002 -0.314 4.688) 8.432 10.702 ( 7.476 -2.367 -7.587) 10.911 11.377 ( -0.307 -2.401 8.501) 8.838 11.535 ( -0.021 -1.914 -6.284) 6.569 11.774 ( -1.672 0.338 10.351) 10.491 11.955 ( 0.311 -1.007 -6.981) 7.060 12.269 ( 0.558 2.999 6.089) 6.811 12.398 ( -1.082 1.862 -7.437) 7.742 13.861 ( -1.510 -12.315 2.617) 12.680 13.917 ( 2.441 -11.368 -3.054) 12.022 14.365 ( 4.402 2.625 8.800) 10.184 14.532 ( -3.411 0.857 -7.368) 8.164 14.795 ( -0.851 1.501 1.842) 2.524 14.850 ( 0.211 0.776 -3.548) 3.638 16.648 ( -0.339 -0.144 0.038) 0.370 16.659 ( 0.478 -0.712 -0.960) 1.287 18.935 ( 0.076 5.333 6.117) 8.116 19.083 ( -0.070 5.534 -8.644) 10.264 19.890 ( -1.452 1.571 6.283) 6.637 20.018 ( 0.993 3.044 -6.000) 6.801 20.189 ( 0.730 -2.262 2.368) 3.356 20.248 ( 0.158 0.327 -3.119) 3.140 20.819 ( -0.045 0.388 6.289) 6.301 20.876 ( -0.024 2.713 0.823) 2.835 21.187 ( 2.262 8.410 6.264) 10.728 21.375 ( -4.343 6.570 -12.666) 14.915 22.077 ( 1.034 2.461 1.392) 3.010 22.110 ( -1.173 2.078 -1.934) 3.071 22.538 ( -0.995 -2.332 4.409) 5.086 22.608 ( 1.627 -2.092 -2.614) 3.722 22.625 ( -0.257 2.762 0.764) 2.877 22.653 ( 0.639 4.517 -1.947) 4.960 23.454 ( 0.707 -9.421 7.746) 12.217 23.601 ( -2.314 -4.252 -7.143) 8.629 24.189 ( -0.615 -0.817 6.478) 6.558 24.284 ( 0.552 -0.625 -2.193) 2.346 25.424 ( 1.728 3.057 3.913) 5.258 25.525 ( -2.316 3.108 -5.785) 6.963 25.957 ( 3.444 2.087 2.910) 4.969 26.021 ( -5.530 4.511 -2.911) 7.707 26.625 ( 9.987 -3.926 6.846) 12.729 26.752 ( -4.893 -0.973 -5.841) 7.682 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 12.785 21.217 5.245) 25.321 2.174 ( 9.625 13.048 -0.077) 16.214 2.264 ( 0.491 16.572 5.842) 17.578 2.445 ( -5.840 17.568 -23.807) 30.158 3.228 ( 22.604 17.668 14.411) 32.105 3.450 ( -2.152 1.576 5.144) 5.795 3.546 ( -5.369 4.264 4.931) 8.445 3.612 ( 4.407 4.953 1.247) 6.746 3.874 ( 0.060 -2.775 -2.990) 4.080 3.929 ( 3.617 0.410 9.153) 9.850 3.961 ( -3.110 -0.332 -0.439) 3.158 4.123 ( 4.994 -6.649 -1.813) 8.511 4.255 ( -5.325 4.159 -1.417) 6.904 4.272 ( 5.037 -3.567 2.187) 6.548 4.353 ( 12.452 -0.019 0.300) 12.456 4.498 ( 10.560 4.749 -1.839) 11.724 4.672 ( 5.522 0.961 -3.585) 6.653 4.688 ( 3.784 -4.850 -6.329) 8.826 4.792 ( -0.403 -3.448 -3.871) 5.199 4.919 ( 0.599 2.309 6.207) 6.650 4.998 ( -3.390 -13.609 -5.363) 15.015 5.235 ( 1.015 -13.104 1.705) 13.253 5.293 ( 0.820 -13.196 1.266) 13.281 5.388 ( 1.511 -9.849 -4.730) 11.030 5.461 ( 2.939 0.709 -1.131) 3.228 5.618 ( -3.237 -5.519 1.457) 6.562 5.815 ( 3.197 -3.790 1.520) 5.186 5.910 ( 5.225 5.003 4.892) 8.733 6.028 ( 8.209 -6.139 -3.218) 10.744 6.164 ( 2.756 0.166 -2.208) 3.535 6.271 ( -3.574 -2.984 -8.893) 10.038 6.428 ( 6.113 -0.195 3.086) 6.850 6.648 ( -0.512 -4.435 1.531) 4.720 6.870 ( 4.869 1.071 -0.608) 5.022 7.177 ( -0.916 -1.100 1.663) 2.194 7.226 ( 2.454 0.637 3.598) 4.401 7.789 ( -14.420 0.877 0.831) 14.471 7.851 ( -12.252 2.666 0.170) 12.540 7.914 ( -1.894 0.899 5.579) 5.960 7.970 ( -12.133 6.445 -1.558) 13.827 8.037 ( -8.774 4.103 -3.682) 10.362 8.065 ( -10.802 4.759 -1.524) 11.902 8.156 ( -12.044 -3.635 3.992) 13.199 8.268 ( -8.623 5.024 -5.849) 11.568 8.376 ( -6.994 1.659 -0.336) 7.196 8.661 ( 4.914 7.371 -0.322) 8.865 8.870 ( -10.620 1.842 -2.828) 11.144 9.112 ( 4.265 8.823 3.410) 10.376 9.463 ( -0.489 -3.898 -3.381) 5.183 9.602 ( 0.260 2.333 4.591) 5.157 9.785 ( -1.314 -3.584 3.240) 5.007 9.936 ( 0.083 -1.163 3.216) 3.421 10.089 ( 5.010 -4.121 -5.093) 8.248 10.243 ( 1.603 3.071 -4.696) 5.836 10.536 ( 4.535 -1.435 6.652) 8.178 10.916 ( 12.334 -5.456 -8.194) 15.781 11.369 ( -0.951 -3.611 9.428) 10.141 11.551 ( 1.707 -2.770 -6.336) 7.123 11.738 ( -2.215 1.637 10.132) 10.500 11.951 ( -0.906 -1.706 -6.391) 6.677 12.254 ( -0.075 6.390 3.004) 7.061 12.454 ( 4.866 1.077 -2.252) 5.469 13.815 ( -3.164 -11.740 0.990) 12.199 13.922 ( -2.296 -11.109 -2.342) 11.583 14.387 ( -1.975 2.468 7.989) 8.591 14.408 ( -7.476 1.225 -8.623) 11.478 14.749 ( -2.991 1.608 2.731) 4.358 14.832 ( -1.880 0.629 -3.107) 3.686 16.642 ( -0.145 0.042 -0.173) 0.230 16.669 ( 0.399 -0.908 -0.909) 1.345 18.937 ( -0.002 5.259 5.908) 7.910 19.077 ( -0.406 5.589 -8.526) 10.202 19.865 ( -0.995 1.893 6.162) 6.523 20.035 ( 0.801 2.941 -5.036) 5.887 20.196 ( 0.073 -2.585 1.116) 2.816 20.256 ( 0.456 0.173 -3.436) 3.470 20.812 ( -0.721 -0.031 5.869) 5.914 20.871 ( -0.286 3.276 0.916) 3.413 21.175 ( -3.702 8.993 4.489) 10.711 21.217 ( -8.974 6.780 -5.932) 12.716 22.103 ( 2.631 1.448 -0.327) 3.021 22.172 ( 4.500 3.770 -0.419) 5.885 22.534 ( 0.616 -2.357 2.310) 3.358 22.619 ( 0.164 0.617 -1.036) 1.217 22.645 ( 1.639 2.965 0.051) 3.388 22.698 ( 3.265 1.138 -2.690) 4.381 23.464 ( 0.216 -8.371 8.120) 11.664 23.560 ( -1.524 -5.157 -5.119) 7.424 24.191 ( 0.715 -0.847 7.044) 7.131 24.315 ( 2.353 -1.217 -2.509) 3.648 25.424 ( -1.606 5.036 3.251) 6.206 25.458 ( -4.879 6.296 -2.787) 8.438 25.802 ( -6.230 8.062 1.310) 10.272 26.056 ( -1.692 2.823 1.125) 3.478 26.650 ( 4.243 -2.175 1.141) 4.903 27.029 ( 17.936 -14.168 -9.232) 24.651 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 6.179 18.353 6.909) 20.561 2.265 ( 3.036 13.202 -10.112) 16.904 2.472 ( 17.763 17.186 3.607) 24.978 2.564 ( 17.324 2.404 -19.707) 26.349 3.337 ( -9.623 1.579 -0.354) 9.758 3.378 ( -7.851 6.270 1.363) 10.139 3.510 ( -3.220 2.112 7.667) 8.580 3.699 ( 3.132 -5.284 -1.993) 6.458 3.756 ( -11.303 -8.951 3.926) 14.943 3.832 ( -2.562 -1.146 4.021) 4.904 4.020 ( 0.323 -0.490 10.121) 10.138 4.213 ( -2.711 3.497 -1.439) 4.653 4.318 ( 15.275 4.231 4.128) 16.378 4.422 ( 10.828 -3.087 4.526) 12.135 4.569 ( 3.887 -1.406 -0.116) 4.135 4.695 ( -0.545 -7.503 -3.946) 8.495 4.710 ( 7.414 -2.089 -0.986) 7.766 4.807 ( 14.324 9.025 -13.222) 21.482 4.960 ( 7.787 -5.623 2.452) 9.913 5.038 ( 15.903 -0.305 -2.315) 16.074 5.091 ( 13.153 2.137 -0.171) 13.326 5.178 ( -3.340 -10.496 3.124) 11.449 5.364 ( 4.461 -4.181 4.755) 7.746 5.439 ( 7.130 -4.534 -0.992) 8.508 5.553 ( 2.190 -4.769 1.271) 5.400 5.668 ( 10.386 -7.716 0.207) 12.940 5.835 ( 0.666 0.234 0.405) 0.813 6.029 ( 2.717 0.523 3.382) 4.369 6.101 ( -5.368 -4.929 -5.824) 9.329 6.197 ( 6.859 -1.110 1.321) 7.073 6.331 ( 8.548 -3.232 -7.342) 11.722 6.541 ( 4.829 0.128 5.284) 7.160 6.689 ( 3.983 -3.597 -1.330) 5.529 6.930 ( -0.432 2.304 -1.358) 2.709 7.131 ( -4.934 -1.833 3.844) 6.518 7.254 ( -0.373 2.632 3.912) 4.730 7.381 ( -23.194 1.262 -1.514) 23.278 7.587 ( -10.790 3.434 1.369) 11.406 7.688 ( -22.418 2.076 -2.650) 22.669 7.727 ( -12.618 2.508 -1.958) 13.013 7.818 ( -9.119 1.862 0.923) 9.353 7.936 ( -1.385 8.244 -5.857) 10.207 7.979 ( -7.494 -4.029 6.996) 11.016 8.082 ( -10.733 2.243 -6.613) 12.805 8.219 ( -4.962 -1.648 -1.503) 5.440 8.617 ( -13.343 2.872 1.825) 13.770 8.732 ( 2.625 7.425 -2.282) 8.199 9.112 ( -4.613 12.715 0.540) 13.537 9.401 ( -6.456 2.368 1.787) 7.105 9.534 ( -3.273 3.148 1.302) 4.725 9.814 ( 3.947 -0.610 0.874) 4.089 10.026 ( 2.200 -2.684 -0.464) 3.502 10.196 ( 6.639 -1.361 0.170) 6.779 10.264 ( 3.304 2.535 -3.533) 5.461 10.711 ( 11.074 -3.609 6.971) 13.574 11.133 ( 8.968 -5.162 -8.552) 13.424 11.341 ( -1.515 -5.885 9.670) 11.421 11.582 ( 0.187 -4.919 -1.642) 5.190 11.689 ( -2.077 3.213 3.795) 5.389 11.911 ( -2.917 -1.568 -7.073) 7.810 12.301 ( 4.325 7.218 4.000) 9.317 12.535 ( 2.596 1.552 -0.378) 3.048 13.744 ( -3.614 -10.023 -1.048) 10.706 13.825 ( -6.676 -9.713 -0.672) 11.805 14.295 ( -3.928 -1.611 1.173) 4.405 14.328 ( -2.612 3.084 -2.554) 4.781 14.696 ( -2.203 1.215 3.626) 4.413 14.787 ( -2.180 -0.398 -3.695) 4.308 16.643 ( 0.189 0.019 -0.161) 0.249 16.673 ( -0.028 -0.868 -0.864) 1.225 18.935 ( -0.311 5.059 5.494) 7.475 19.066 ( -0.532 5.467 -8.233) 9.898 19.857 ( 0.181 2.017 5.882) 6.221 20.043 ( -0.041 2.953 -5.126) 5.916 20.195 ( -0.200 -2.756 1.301) 3.054 20.259 ( -0.098 0.132 -3.756) 3.759 20.798 ( -0.515 -0.163 4.647) 4.678 20.877 ( 1.030 3.742 1.328) 4.103 21.040 ( -6.818 6.889 -3.707) 10.377 21.103 ( -4.526 9.736 4.378) 11.595 22.165 ( 2.859 0.887 1.712) 3.448 22.242 ( 2.619 4.873 -1.898) 5.849 22.560 ( 1.762 -1.725 0.454) 2.507 22.626 ( 0.438 1.235 -1.081) 1.699 22.679 ( 1.785 1.451 1.394) 2.689 22.756 ( 2.209 0.625 -2.850) 3.660 23.464 ( -0.364 -8.035 7.750) 11.169 23.544 ( 0.011 -4.924 -4.720) 6.821 24.215 ( 1.433 -1.614 8.505) 8.775 24.365 ( 2.462 -1.992 -2.878) 4.279 25.327 ( -6.864 13.413 8.332) 17.218 25.394 ( -1.595 9.234 -5.704) 10.971 25.758 ( 0.505 7.504 0.080) 7.521 25.970 ( -5.355 3.217 -1.469) 6.418 26.807 ( 9.333 -7.907 9.344) 15.393 27.299 ( 9.176 -20.419 -17.162) 28.208 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 4.433 7.705 0.521) 8.905 2.330 ( 2.696 12.243 -8.680) 15.248 2.878 ( 18.199 13.382 6.355) 23.466 2.931 ( 16.961 -2.445 -12.475) 21.196 3.064 ( -12.489 3.489 2.780) 13.262 3.280 ( -17.179 2.275 15.215) 23.061 3.305 ( -2.805 2.043 -4.519) 5.697 3.405 ( -10.290 10.796 -8.167) 17.004 3.801 ( 0.968 -9.250 0.933) 9.347 3.849 ( 1.069 -12.364 -2.917) 12.748 4.020 ( 2.216 -1.822 8.795) 9.251 4.146 ( -2.013 -2.851 0.911) 3.607 4.458 ( -1.775 -6.872 2.238) 7.442 4.549 ( 3.682 -5.292 2.716) 6.996 4.641 ( -4.039 -3.668 -4.501) 7.073 4.699 ( 4.864 5.610 -5.457) 9.215 4.793 ( 4.755 -8.052 4.502) 10.379 4.976 ( -4.476 -4.309 -0.235) 6.217 5.199 ( 10.600 -0.379 1.483) 10.710 5.243 ( 16.219 3.989 -1.090) 16.737 5.311 ( 3.533 2.390 2.012) 4.716 5.378 ( 1.236 -5.436 -3.190) 6.423 5.440 ( 18.274 6.578 0.715) 19.435 5.625 ( 7.268 -9.149 1.082) 11.734 5.659 ( 4.531 5.117 0.341) 6.843 5.807 ( -2.524 -6.523 -0.501) 7.013 5.896 ( 2.719 -3.419 0.382) 4.385 5.941 ( -0.120 -7.803 -2.303) 8.137 6.104 ( 3.173 -0.301 4.006) 5.119 6.285 ( -1.017 1.042 -0.147) 1.463 6.528 ( 11.839 -2.450 1.137) 12.143 6.614 ( 1.866 0.673 6.980) 7.256 6.745 ( 0.850 -2.740 0.795) 2.977 6.853 ( -1.722 2.533 -1.290) 3.323 7.006 ( -12.504 4.929 -3.666) 13.932 7.027 ( -5.222 -2.192 -5.571) 7.944 7.170 ( -8.156 6.071 1.002) 10.217 7.225 ( -18.739 3.346 0.267) 19.037 7.477 ( -2.368 1.193 1.878) 3.249 7.580 ( -3.116 1.544 -4.792) 5.920 7.652 ( -6.052 2.025 0.693) 6.419 7.743 ( -7.636 -0.203 -2.504) 8.039 7.970 ( -0.275 0.360 2.983) 3.017 7.990 ( 0.908 0.169 0.264) 0.961 8.203 ( 0.981 -0.779 -0.540) 1.364 8.358 ( -9.204 1.482 -4.084) 10.178 8.805 ( 4.323 9.681 3.062) 11.036 8.986 ( -6.433 12.908 -2.215) 14.592 9.297 ( -2.208 5.325 7.414) 9.391 9.483 ( -2.091 3.395 -7.030) 8.082 9.896 ( 3.659 1.978 -0.441) 4.183 9.979 ( -4.378 0.671 -1.021) 4.546 10.325 ( 4.236 -1.067 1.559) 4.639 10.353 ( 3.640 -0.657 -1.259) 3.907 10.920 ( 9.040 -2.484 8.646) 12.753 11.199 ( -3.225 -3.961 -4.804) 7.012 11.382 ( 6.511 -7.300 3.815) 10.499 11.512 ( -5.838 -2.977 3.742) 7.546 11.698 ( 2.099 1.175 -1.895) 3.062 11.846 ( -3.128 -2.131 -9.071) 9.829 12.397 ( 4.588 6.281 6.059) 9.860 12.542 ( -1.711 2.453 -0.782) 3.091 13.692 ( -1.076 -8.185 -1.823) 8.454 13.710 ( -4.030 -10.107 -0.370) 10.888 14.212 ( -4.337 -0.070 8.770) 9.784 14.327 ( 1.985 -0.643 -8.830) 9.073 14.667 ( -0.741 0.879 4.217) 4.370 14.757 ( -0.721 -1.378 -4.657) 4.910 16.649 ( 0.401 -0.123 -0.001) 0.419 16.668 ( -0.406 -0.701 -0.860) 1.181 18.928 ( -0.346 5.007 5.252) 7.265 19.058 ( -0.140 5.233 -7.986) 9.549 19.873 ( 1.311 2.051 5.901) 6.383 20.029 ( -1.242 2.963 -6.014) 6.819 20.188 ( -0.484 -2.454 2.462) 3.510 20.256 ( -0.105 0.107 -3.929) 3.932 20.800 ( 0.449 0.236 4.911) 4.937 20.893 ( -0.636 1.510 -0.885) 1.862 20.963 ( 0.326 8.910 0.101) 8.917 21.025 ( -3.055 9.832 1.328) 10.381 22.203 ( 1.032 1.683 3.126) 3.697 22.279 ( 1.115 4.414 -3.737) 5.890 22.592 ( 1.248 -1.352 0.238) 1.856 22.629 ( -0.162 1.313 -1.217) 1.798 22.710 ( 1.146 0.271 2.517) 2.779 22.776 ( -0.181 0.823 -2.414) 2.557 23.451 ( -0.952 -8.580 7.256) 11.277 23.561 ( 1.705 -3.848 -6.051) 7.371 24.243 ( 1.137 -2.619 9.906) 10.310 24.399 ( 0.703 -2.385 -3.126) 3.995 25.215 ( -4.131 17.604 10.424) 20.871 25.378 ( 0.339 11.814 -8.232) 14.403 25.783 ( 1.178 5.682 1.821) 6.082 25.879 ( -3.200 4.253 -3.212) 6.216 26.961 ( 5.132 -11.826 15.158) 19.899 27.394 ( 1.167 -21.758 -21.336) 30.496 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -10.408 7.678 -0.446) 12.941 2.310 ( -2.503 13.179 -4.148) 14.041 2.629 ( -22.941 0.993 15.730) 27.834 2.986 ( -17.117 5.260 -5.040) 18.603 3.133 ( 3.450 14.772 9.426) 17.860 3.210 ( 10.905 3.497 -6.977) 13.410 3.331 ( 16.713 5.734 -0.701) 17.683 3.555 ( 14.843 -5.271 -9.460) 18.374 3.785 ( -1.658 -9.187 -2.364) 9.630 3.865 ( 1.323 -8.052 -1.337) 8.269 4.100 ( 3.967 -2.722 5.257) 7.126 4.124 ( -0.424 -6.052 0.771) 6.115 4.432 ( 0.697 -6.632 2.786) 7.227 4.545 ( -5.374 0.637 0.552) 5.439 4.613 ( 2.170 -7.237 0.041) 7.555 4.699 ( -6.944 2.280 2.352) 7.678 4.748 ( -5.944 0.212 1.943) 6.257 4.932 ( 0.034 -5.773 1.599) 5.991 5.163 ( -15.624 1.407 -3.736) 16.126 5.237 ( -9.730 0.531 6.497) 11.712 5.345 ( -7.549 -1.110 2.622) 8.068 5.461 ( 4.051 0.114 -11.388) 12.088 5.523 ( -7.947 5.264 -6.572) 11.578 5.635 ( -8.755 -0.494 0.559) 8.786 5.707 ( 1.429 -5.635 -2.668) 6.396 5.778 ( 3.203 -6.644 0.626) 7.403 5.863 ( 0.307 -5.723 3.686) 6.814 5.935 ( -7.719 -0.248 -2.377) 8.080 6.166 ( 0.704 -3.414 -0.218) 3.493 6.254 ( 1.649 -0.516 1.912) 2.577 6.541 ( -15.555 -4.461 -0.046) 16.182 6.656 ( -1.454 0.773 1.924) 2.532 6.776 ( -0.631 2.968 4.808) 5.686 6.895 ( -5.383 -2.763 -8.449) 10.392 6.910 ( 11.812 -2.250 3.208) 12.445 6.964 ( 11.372 2.480 -0.836) 11.669 7.157 ( 12.592 6.736 1.760) 14.389 7.216 ( 13.301 4.538 1.170) 14.102 7.461 ( 1.168 1.939 3.485) 4.156 7.579 ( 3.978 2.921 -3.889) 6.283 7.674 ( 5.560 2.929 -1.051) 6.371 7.704 ( 3.507 0.018 1.926) 4.001 7.962 ( -5.122 4.991 0.273) 7.157 7.972 ( 1.446 -6.605 4.433) 8.085 8.160 ( 2.665 1.237 -0.651) 3.009 8.435 ( 10.013 1.696 -8.068) 12.971 8.816 ( -4.667 13.612 2.010) 14.529 8.976 ( 7.187 8.558 -0.719) 11.198 9.313 ( 2.434 3.131 6.924) 7.980 9.485 ( 3.594 3.793 -8.541) 10.012 9.877 ( -4.037 1.426 1.233) 4.456 9.977 ( 2.948 2.893 -0.707) 4.190 10.322 ( -4.465 -0.613 1.951) 4.911 10.358 ( -3.376 -2.096 -1.777) 4.354 11.026 ( -0.920 -1.817 7.210) 7.492 11.075 ( -7.023 -5.512 -2.412) 9.248 11.416 ( -2.424 -2.876 2.325) 4.422 11.513 ( 4.307 -6.053 3.048) 8.030 11.750 ( 3.616 2.401 -4.285) 6.099 11.807 ( -0.306 -3.218 -8.196) 8.811 12.428 ( -3.391 3.694 4.866) 6.987 12.513 ( 0.629 4.282 0.467) 4.353 13.677 ( 0.707 -10.042 -0.523) 10.081 13.715 ( 3.365 -7.708 -0.845) 8.453 14.139 ( -2.818 -0.180 9.239) 9.661 14.383 ( 3.516 -0.693 -7.617) 8.417 14.672 ( 1.213 0.651 3.821) 4.061 14.758 ( 0.879 -1.291 -4.884) 5.128 16.655 ( -0.095 -0.350 -0.066) 0.369 16.660 ( -0.072 -0.455 -0.628) 0.778 18.925 ( -0.035 5.101 5.247) 7.318 19.061 ( 0.501 5.007 -7.904) 9.370 19.903 ( 1.358 2.050 6.095) 6.572 20.001 ( -1.275 2.713 -6.559) 7.212 20.180 ( -0.337 -1.419 3.273) 3.584 20.254 ( -0.057 -0.352 -3.539) 3.557 20.795 ( -0.929 0.918 4.856) 5.029 20.890 ( 0.419 1.432 -0.301) 1.522 20.970 ( 0.207 8.631 -0.246) 8.637 21.050 ( 5.501 9.490 -1.086) 11.023 22.211 ( -0.235 2.749 2.912) 4.012 22.281 ( -0.965 2.918 -4.504) 5.453 22.594 ( -1.087 -0.701 0.674) 1.458 22.627 ( 0.030 0.123 -1.613) 1.618 22.716 ( -0.723 0.219 3.495) 3.576 22.753 ( -1.860 1.280 -1.832) 2.907 23.435 ( -0.634 -9.660 6.332) 11.568 23.601 ( 2.195 -2.490 -7.567) 8.263 24.256 ( -0.116 -3.338 9.905) 10.453 24.388 ( -1.660 -1.679 -2.742) 3.619 25.180 ( 0.710 18.016 10.287) 20.759 25.409 ( 2.817 11.474 -7.875) 14.199 25.763 ( -2.599 1.882 2.832) 4.280 25.881 ( 2.796 8.850 -2.717) 9.670 26.991 ( -2.627 -14.499 15.744) 21.563 27.356 ( -4.498 -19.593 -21.181) 29.202 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -11.537 16.418 12.787) 23.794 2.150 ( -18.454 8.140 13.282) 24.150 2.290 ( -5.934 17.286 0.597) 18.286 2.677 ( -11.014 12.094 -13.316) 21.093 3.325 ( 12.206 3.721 2.409) 12.986 3.404 ( 8.329 2.572 -0.548) 8.735 3.548 ( 2.706 -1.310 -0.913) 3.142 3.646 ( -1.972 -10.334 0.847) 10.554 3.858 ( -0.974 0.927 1.388) 1.932 3.922 ( 5.418 -5.794 -7.180) 10.699 4.101 ( 0.398 -3.144 2.170) 3.840 4.167 ( -1.033 3.460 2.525) 4.406 4.343 ( -10.700 7.202 8.730) 15.575 4.458 ( -2.527 -3.104 -2.183) 4.560 4.526 ( -12.704 10.390 8.371) 18.424 4.550 ( -5.245 -4.803 -1.206) 7.214 4.687 ( 2.343 -6.746 -0.645) 7.170 4.842 ( -8.546 6.652 -10.126) 14.826 4.904 ( -5.869 -4.868 4.079) 8.648 4.994 ( -10.253 -6.810 2.251) 12.512 5.122 ( -14.177 -5.967 -4.551) 16.040 5.303 ( -8.375 1.388 -6.627) 10.770 5.408 ( -10.441 -4.525 0.025) 11.380 5.540 ( -0.945 -7.119 -8.007) 10.756 5.617 ( -4.435 -3.923 -1.309) 6.064 5.711 ( -9.186 -8.619 -4.746) 13.461 5.832 ( 0.041 0.184 0.318) 0.370 5.989 ( 6.539 -4.008 4.488) 8.886 6.104 ( -5.291 -3.549 -3.296) 7.173 6.204 ( -10.146 -2.455 2.293) 10.688 6.237 ( -7.160 3.728 -1.169) 8.157 6.608 ( -2.823 -3.457 0.896) 4.552 6.697 ( -8.880 -0.936 -4.439) 9.971 6.893 ( 5.053 -0.086 1.936) 5.412 7.126 ( 6.750 -3.706 4.252) 8.797 7.321 ( 12.023 0.128 2.247) 12.232 7.334 ( 6.301 4.561 -1.966) 8.023 7.499 ( 15.612 1.342 8.019) 17.602 7.633 ( 16.305 1.298 2.634) 16.567 7.767 ( 11.242 4.837 1.813) 12.372 7.787 ( 12.080 5.016 1.732) 13.194 7.869 ( 7.853 3.413 -2.502) 8.921 7.965 ( 9.314 6.736 1.644) 11.612 8.099 ( 9.744 -5.408 -2.656) 11.457 8.244 ( 4.594 -0.199 -3.462) 5.756 8.607 ( 5.649 6.129 -0.004) 8.335 8.753 ( 0.337 9.841 -2.381) 10.130 9.131 ( 6.176 7.304 -0.587) 9.583 9.367 ( 2.640 -0.219 3.676) 4.531 9.608 ( 7.311 4.504 -4.748) 9.812 9.827 ( -0.151 -1.666 -0.358) 1.710 10.002 ( -1.550 0.183 1.274) 2.015 10.184 ( -8.312 0.295 3.752) 9.124 10.245 ( -6.081 -0.967 -3.580) 7.123 10.848 ( -11.072 -3.917 -5.668) 13.041 10.976 ( -7.636 -4.452 6.983) 11.264 11.400 ( -0.366 -3.454 5.167) 6.226 11.546 ( 0.210 -3.023 -0.333) 3.048 11.804 ( 0.563 -4.638 -3.884) 6.076 11.857 ( 5.171 3.486 -4.946) 7.959 12.327 ( -5.282 3.084 1.871) 6.396 12.519 ( -1.020 3.406 0.919) 3.673 13.733 ( 4.641 -9.959 -0.492) 10.998 13.808 ( 5.046 -9.232 1.020) 10.570 14.124 ( 1.863 1.435 8.984) 9.286 14.459 ( 4.192 0.278 -6.388) 7.646 14.714 ( 2.818 0.743 2.591) 3.900 14.786 ( 1.913 -0.308 -4.215) 4.639 16.649 ( -0.197 -0.389 -0.597) 0.739 16.662 ( -0.030 -0.420 -0.012) 0.421 18.928 ( 0.215 5.170 5.475) 7.534 19.072 ( 0.688 5.005 -8.080) 9.529 19.921 ( 0.286 1.835 6.039) 6.318 19.986 ( -0.009 2.564 -6.598) 7.078 20.175 ( -0.234 -0.724 3.471) 3.554 20.252 ( -0.040 -0.656 -2.783) 2.860 20.790 ( 0.585 0.627 4.810) 4.886 20.879 ( -0.907 3.445 1.068) 3.719 21.021 ( 4.057 7.611 -0.691) 8.652 21.188 ( 8.097 8.655 -4.006) 12.511 22.190 ( -2.241 2.262 0.422) 3.212 22.239 ( -2.958 2.287 -2.899) 4.732 22.568 ( -1.211 -0.882 0.574) 1.604 22.620 ( -0.860 -1.203 -1.337) 1.994 22.683 ( -2.451 1.530 3.603) 4.619 22.711 ( -2.237 1.827 -1.186) 3.122 23.430 ( 0.067 -10.424 5.838) 11.948 23.636 ( 1.179 -1.876 -8.661) 8.940 24.242 ( -1.351 -3.115 8.389) 9.050 24.342 ( -2.630 -0.552 -2.025) 3.365 25.244 ( 5.288 14.162 7.806) 17.014 25.483 ( 4.634 9.016 -5.867) 11.713 25.720 ( -1.153 2.269 3.028) 3.956 25.956 ( 4.809 10.335 -0.169) 11.400 26.858 ( -10.689 -15.673 9.045) 21.017 27.215 ( -9.555 -13.857 -13.799) 21.765 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -10.293 17.085 16.776) 26.063 1.897 ( 3.361 21.727 21.637) 30.846 2.168 ( -5.589 15.044 -4.922) 16.787 2.621 ( 3.628 17.769 -15.944) 24.148 3.365 ( -13.014 9.938 3.083) 16.663 3.442 ( -16.067 17.408 6.251) 24.500 3.540 ( 6.667 -2.963 0.971) 7.360 3.639 ( 1.918 0.083 -3.147) 3.686 3.743 ( -0.911 -3.746 7.084) 8.065 3.882 ( 0.555 2.551 4.889) 5.542 4.034 ( -9.804 0.664 2.797) 10.216 4.121 ( -2.534 -4.972 -0.092) 5.582 4.277 ( -1.605 1.546 -0.378) 2.260 4.372 ( 2.939 -0.150 -1.455) 3.283 4.397 ( -7.189 2.528 2.758) 8.104 4.510 ( -4.815 3.659 -14.787) 15.976 4.596 ( -8.081 0.752 -2.554) 8.508 4.678 ( -11.246 -0.696 -1.555) 11.374 4.802 ( 6.820 -13.402 -4.007) 15.563 4.956 ( -1.766 -7.014 -0.902) 7.289 5.026 ( 7.471 -2.064 -2.692) 8.205 5.184 ( -5.948 -6.486 5.744) 10.509 5.281 ( -2.654 -11.444 -2.432) 11.996 5.431 ( -8.257 -14.731 -5.469) 17.751 5.530 ( -0.178 -4.693 -6.512) 8.029 5.645 ( -1.880 -6.084 0.692) 6.405 5.782 ( -2.956 -1.506 3.606) 4.900 5.994 ( -8.869 -0.263 -2.180) 9.137 6.023 ( -0.761 -1.837 -2.809) 3.442 6.119 ( -6.281 1.273 2.944) 7.052 6.157 ( 7.273 -1.554 -0.011) 7.437 6.518 ( -6.766 -0.803 -5.705) 8.887 6.626 ( 1.948 -3.676 3.922) 5.717 6.872 ( -4.811 0.396 -1.504) 5.056 7.163 ( -0.405 -2.447 2.366) 3.427 7.274 ( -3.693 0.969 0.044) 3.819 7.695 ( 17.138 -2.565 7.209) 18.769 7.846 ( 11.931 2.089 4.614) 12.961 7.884 ( 11.061 6.636 5.267) 13.933 7.934 ( 8.616 6.911 0.445) 11.054 8.031 ( 9.205 4.985 0.329) 10.473 8.094 ( 9.737 0.806 -4.338) 10.690 8.199 ( 13.653 6.509 -0.307) 15.129 8.253 ( 4.982 -4.176 -4.632) 7.982 8.373 ( 7.451 1.851 -0.020) 7.678 8.651 ( -1.097 6.384 0.720) 6.517 8.821 ( 5.077 6.944 0.817) 8.641 9.168 ( -2.032 5.297 -1.270) 5.814 9.404 ( 1.293 -4.712 2.760) 5.612 9.660 ( -4.670 3.021 -2.315) 6.025 9.882 ( 4.513 -4.253 -4.765) 7.821 9.987 ( 4.056 -3.188 0.340) 5.170 10.009 ( -7.850 -2.413 1.017) 8.275 10.179 ( -2.650 4.061 1.116) 4.976 10.669 ( -5.331 -2.311 -5.605) 8.073 10.777 ( -11.428 -3.967 4.734) 12.990 11.387 ( -0.813 -2.525 7.659) 8.105 11.544 ( -0.420 -2.239 -5.000) 5.494 11.800 ( -0.909 -1.475 5.415) 5.686 11.934 ( 2.332 0.661 -6.782) 7.203 12.257 ( -1.201 2.978 2.529) 4.088 12.467 ( -3.905 1.808 -3.371) 5.466 13.838 ( 5.260 -10.466 -1.697) 11.836 13.870 ( 0.963 -12.151 2.875) 12.523 14.230 ( 7.778 3.370 8.630) 12.097 14.534 ( 2.763 0.788 -6.055) 6.702 14.772 ( 2.616 1.171 1.538) 3.253 14.827 ( 1.963 0.521 -3.613) 4.145 16.649 ( 0.171 -0.435 -0.515) 0.696 16.658 ( -0.287 -0.402 -0.173) 0.523 18.932 ( 0.144 5.218 5.864) 7.851 19.082 ( 0.338 5.267 -8.436) 9.951 19.914 ( -0.969 1.442 6.186) 6.425 19.997 ( 1.051 2.872 -6.801) 7.457 20.175 ( 0.344 -1.048 3.276) 3.457 20.250 ( -0.170 -0.404 -2.480) 2.519 20.810 ( 0.945 0.243 5.949) 6.029 20.871 ( 0.180 3.178 0.807) 3.283 21.109 ( 4.695 8.605 2.260) 10.059 21.344 ( 6.553 7.433 -9.173) 13.502 22.115 ( -4.454 0.739 -1.652) 4.808 22.175 ( -3.681 3.006 -0.560) 4.786 22.555 ( -0.346 -0.837 2.390) 2.556 22.597 ( -0.948 -3.937 -0.908) 4.150 22.640 ( -1.494 3.859 1.591) 4.433 22.670 ( -1.760 3.097 -1.291) 3.789 23.439 ( 0.636 -10.343 6.394) 12.176 23.638 ( -0.939 -2.660 -8.612) 9.062 24.212 ( -1.580 -1.896 6.968) 7.392 24.296 ( -1.665 -0.254 -1.882) 2.525 25.356 ( 4.991 6.656 3.934) 9.203 25.550 ( 0.672 4.279 -6.039) 7.432 25.775 ( 8.085 5.482 3.818) 10.488 26.064 ( 4.967 7.661 0.784) 9.164 26.615 ( -11.163 -10.253 4.582) 15.835 26.983 ( -13.236 -6.357 -5.536) 15.692 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 4.951 21.410 5.689) 22.699 2.333 ( -2.990 16.058 -5.183) 17.137 2.608 ( 10.512 20.883 18.352) 29.722 2.931 ( -4.663 14.606 -10.787) 18.747 3.449 ( -6.911 7.035 6.149) 11.621 3.515 ( -2.458 -2.442 5.363) 6.384 3.566 ( 6.751 0.202 -3.469) 7.593 3.656 ( 2.217 -0.237 -5.088) 5.555 3.727 ( 3.813 -0.610 5.988) 7.126 3.809 ( -1.307 -6.103 -1.314) 6.378 3.890 ( 0.031 -5.727 2.168) 6.123 4.034 ( -1.802 -0.736 -5.407) 5.746 4.169 ( 0.206 -1.088 3.232) 3.416 4.287 ( -0.319 -4.194 1.161) 4.363 4.334 ( -1.965 -2.618 -0.766) 3.362 4.431 ( -6.445 -1.627 -2.159) 6.989 4.627 ( 3.842 8.486 10.037) 13.693 4.719 ( 0.177 -2.441 0.782) 2.570 4.756 ( -2.786 -0.322 -2.217) 3.575 4.910 ( 1.846 8.247 -6.656) 10.757 4.964 ( -0.039 -3.573 0.907) 3.687 4.981 ( -2.394 -2.791 -8.966) 9.691 5.021 ( -2.065 -3.873 8.056) 9.174 5.242 ( 1.452 -0.941 -12.125) 12.248 5.447 ( 0.612 -6.070 3.096) 6.842 5.526 ( 2.809 -0.833 -2.578) 3.902 5.790 ( -5.287 2.639 -0.699) 5.950 5.799 ( 3.557 -2.860 -0.840) 4.641 5.989 ( -5.305 -1.325 1.690) 5.723 6.049 ( 5.300 -3.340 -4.346) 7.625 6.224 ( 5.837 -4.708 1.154) 7.587 6.302 ( -6.398 -4.689 -6.263) 10.107 6.668 ( 0.338 0.795 7.458) 7.508 6.801 ( -0.873 0.183 -4.633) 4.718 7.145 ( 3.821 -2.178 1.483) 4.642 7.187 ( -3.843 -2.018 -1.169) 4.495 7.811 ( 3.771 -4.900 6.108) 8.691 7.952 ( -5.778 -4.980 -7.212) 10.497 8.037 ( 1.156 3.028 7.972) 8.606 8.167 ( 0.743 4.157 -3.518) 5.497 8.212 ( -1.228 2.364 4.269) 5.032 8.250 ( 4.577 1.930 0.401) 4.984 8.406 ( 2.284 3.058 3.422) 5.127 8.468 ( 0.840 1.684 -0.817) 2.052 8.561 ( -1.643 7.607 0.474) 7.797 8.615 ( -0.865 6.116 -4.641) 7.726 9.008 ( 1.718 -0.949 3.643) 4.138 9.066 ( -2.758 -3.246 -2.089) 4.744 9.449 ( 6.788 1.589 2.435) 7.385 9.532 ( -6.675 2.519 -6.555) 9.689 9.819 ( -3.629 0.496 5.338) 6.474 9.930 ( 3.693 -1.463 -5.369) 6.678 10.089 ( -7.082 0.972 4.658) 8.533 10.180 ( 6.190 1.278 -3.252) 7.109 10.564 ( -2.676 -0.066 1.717) 3.180 10.633 ( 3.288 -3.554 -4.686) 6.738 11.336 ( -0.675 -1.551 7.924) 8.103 11.471 ( -0.180 -4.320 -3.753) 5.726 11.797 ( -0.827 1.785 5.530) 5.870 11.924 ( 0.308 -1.723 -5.654) 5.919 12.253 ( 1.915 -4.247 5.434) 7.157 12.338 ( -1.520 -6.491 -3.295) 7.436 13.651 ( -1.219 -8.229 2.445) 8.671 13.717 ( 1.758 -8.484 -4.251) 9.651 14.422 ( 3.275 2.853 6.583) 7.887 14.550 ( -2.839 0.690 -6.164) 6.821 14.817 ( -0.573 1.091 2.414) 2.710 14.867 ( 0.403 0.913 -2.674) 2.855 16.658 ( -0.188 0.983 -0.356) 1.062 16.661 ( 0.281 0.722 -0.527) 0.937 19.099 ( 0.007 10.641 5.514) 11.985 19.236 ( 0.132 9.393 -8.203) 12.471 19.918 ( -1.170 -0.020 4.990) 5.125 20.033 ( 1.185 -2.826 -5.991) 6.729 20.169 ( -0.415 1.392 4.187) 4.431 20.250 ( 0.568 0.323 -3.833) 3.888 20.825 ( -0.079 0.500 7.369) 7.387 20.903 ( 0.067 0.284 0.534) 0.609 21.297 ( 1.583 2.637 3.072) 4.347 21.441 ( -3.662 0.079 -11.490) 12.060 22.137 ( 2.666 3.529 1.133) 4.566 22.162 ( -1.993 3.119 -1.402) 3.958 22.492 ( -1.164 -2.176 3.163) 4.012 22.547 ( 1.690 -2.883 -2.221) 4.013 22.662 ( 0.352 0.305 1.010) 1.112 22.699 ( -0.102 -0.512 -2.833) 2.881 23.386 ( 1.546 2.354 11.932) 12.260 23.575 ( -2.766 0.784 -6.596) 7.195 24.177 ( -0.113 -0.155 4.526) 4.530 24.271 ( -0.050 -0.814 -3.730) 3.818 25.482 ( 1.138 2.432 3.830) 4.677 25.563 ( -1.592 0.718 -3.976) 4.342 25.991 ( 0.017 1.789 4.385) 4.736 26.105 ( -0.000 3.316 -6.228) 7.056 26.566 ( 6.284 -1.530 8.808) 10.927 26.726 ( -4.441 -1.648 -7.046) 8.490 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.501 15.598 -4.928) 17.259 2.434 ( 12.523 15.462 1.882) 19.986 2.641 ( -6.608 16.979 10.482) 21.020 2.833 ( -3.564 20.025 -13.294) 24.299 3.409 ( -5.022 -5.079 3.035) 7.761 3.455 ( 2.525 4.586 0.401) 5.251 3.591 ( -4.520 -2.786 -2.943) 6.070 3.633 ( -0.870 0.534 -3.310) 3.464 3.773 ( -0.247 -5.404 1.122) 5.525 3.886 ( 5.164 0.134 8.469) 9.920 4.039 ( 10.728 -2.243 -3.328) 11.455 4.066 ( 6.235 -1.337 0.002) 6.376 4.224 ( -1.565 -0.382 2.175) 2.706 4.304 ( 4.060 0.692 9.201) 10.081 4.355 ( 4.032 -11.918 0.635) 12.598 4.420 ( 7.591 4.066 0.453) 8.624 4.680 ( 0.273 0.991 -5.505) 5.600 4.713 ( 1.738 7.898 5.019) 9.518 4.737 ( 0.283 -9.627 -1.132) 9.697 4.882 ( 4.059 -1.022 6.850) 8.028 5.012 ( 2.191 -1.097 3.219) 4.045 5.058 ( 6.590 -4.897 3.361) 8.872 5.074 ( 7.127 9.635 -6.941) 13.850 5.271 ( 3.579 -1.814 -12.189) 12.833 5.435 ( -1.196 -8.201 3.011) 8.817 5.551 ( -1.583 4.777 -4.557) 6.789 5.765 ( 6.162 -1.786 -0.682) 6.451 5.893 ( 0.570 -7.006 0.965) 7.095 6.000 ( 6.821 1.636 0.767) 7.056 6.160 ( 1.959 0.208 -2.352) 3.068 6.205 ( 0.305 -2.986 -7.768) 8.328 6.343 ( 6.057 -6.691 3.539) 9.695 6.601 ( -2.918 -0.707 0.672) 3.077 6.870 ( 4.996 -1.223 1.293) 5.304 7.133 ( -1.505 -2.541 -0.706) 3.037 7.229 ( 3.843 -0.547 2.256) 4.489 7.744 ( -15.105 -4.169 -4.340) 16.260 7.799 ( -7.497 -7.692 6.692) 12.656 7.969 ( -4.226 4.461 4.239) 7.465 8.065 ( -11.077 0.518 0.784) 11.117 8.125 ( -7.033 5.052 -3.834) 9.471 8.127 ( -16.189 5.328 -2.101) 17.172 8.230 ( -10.554 7.621 0.161) 13.019 8.358 ( -9.700 3.775 -2.234) 10.646 8.426 ( -6.790 2.372 -1.511) 7.349 8.805 ( 2.958 3.553 -3.398) 5.738 8.859 ( -6.775 0.896 4.193) 8.018 9.217 ( 8.487 0.989 1.960) 8.767 9.413 ( 2.331 -0.087 -4.720) 5.265 9.682 ( 1.754 5.069 4.583) 7.055 9.763 ( 3.660 0.712 1.375) 3.974 9.937 ( -4.317 0.312 1.903) 4.728 10.010 ( 5.033 -2.658 -3.642) 6.757 10.314 ( 3.288 3.814 -2.609) 5.672 10.542 ( 2.998 1.166 4.568) 5.587 10.771 ( 9.252 -8.184 -5.898) 13.688 11.304 ( -2.711 -2.888 7.876) 8.816 11.475 ( 0.508 -4.634 -1.867) 5.022 11.772 ( -1.459 1.421 2.570) 3.279 11.936 ( 0.372 0.712 -3.007) 3.113 12.300 ( 2.430 -1.611 1.382) 3.226 12.367 ( 4.222 -8.646 0.166) 9.623 13.609 ( -2.843 -8.004 0.784) 8.530 13.719 ( -1.822 -8.859 -3.065) 9.550 14.415 ( -5.166 1.368 1.931) 5.682 14.468 ( -3.088 2.897 -2.497) 4.916 14.772 ( -3.440 1.105 2.239) 4.251 14.847 ( -2.365 0.850 -2.129) 3.294 16.655 ( -0.108 1.045 -0.427) 1.134 16.667 ( 0.281 0.562 -0.527) 0.820 19.098 ( -0.185 10.473 5.218) 11.702 19.232 ( -0.403 9.509 -8.154) 12.533 19.899 ( -0.761 0.305 4.838) 4.907 20.053 ( 0.807 -3.155 -5.844) 6.690 20.163 ( -0.212 1.284 3.890) 4.102 20.260 ( 0.417 0.436 -3.965) 4.010 20.816 ( -0.746 0.682 6.686) 6.762 20.903 ( 0.037 0.299 0.675) 0.739 21.285 ( -3.346 2.381 1.917) 4.532 21.313 ( -7.040 2.441 -5.133) 9.048 22.135 ( 0.971 1.903 -0.865) 2.304 22.249 ( 5.546 3.493 -1.175) 6.658 22.482 ( 0.180 -2.352 1.743) 2.933 22.580 ( 1.496 -2.853 -1.579) 3.587 22.680 ( 1.093 0.333 0.231) 1.166 22.712 ( 1.609 -1.152 -2.691) 3.340 23.413 ( 0.842 2.623 12.313) 12.618 23.532 ( -1.200 1.523 -5.134) 5.488 24.179 ( 0.271 -0.245 4.959) 4.973 24.285 ( 1.416 -1.618 -3.875) 4.431 25.503 ( 0.818 2.812 3.721) 4.735 25.539 ( -0.922 1.940 -2.880) 3.592 25.936 ( -2.825 5.298 2.754) 6.605 26.120 ( -1.115 3.337 -4.059) 5.372 26.619 ( 1.014 -1.137 1.400) 2.069 26.793 ( 8.534 -8.898 -3.663) 12.861 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 10.053 12.652 -5.419) 17.044 2.511 ( -4.515 13.784 5.265) 15.430 2.709 ( 12.371 11.750 -4.789) 17.721 2.805 ( 3.647 14.831 -7.760) 17.131 3.279 ( -7.359 -5.986 0.802) 9.520 3.420 ( -6.988 -0.478 0.839) 7.055 3.570 ( -3.251 1.751 -5.297) 6.457 3.582 ( 0.357 -5.539 1.597) 5.776 3.699 ( -4.308 3.863 -2.937) 6.489 3.899 ( -2.800 2.955 4.134) 5.802 4.050 ( -3.884 3.985 2.733) 6.199 4.203 ( -1.376 -3.624 -0.794) 3.957 4.330 ( 0.446 -6.004 4.986) 7.817 4.415 ( 16.688 -2.523 2.535) 17.067 4.427 ( 1.291 -4.883 0.859) 5.123 4.580 ( -1.290 -3.922 3.982) 5.736 4.652 ( 4.148 -2.574 -2.906) 5.681 4.783 ( 11.210 -4.328 -1.839) 12.157 4.912 ( 16.054 0.781 -0.529) 16.082 4.968 ( -2.086 -7.416 -0.112) 7.704 5.173 ( 19.495 3.134 8.748) 21.596 5.244 ( 7.037 -3.319 4.445) 8.961 5.294 ( 14.614 14.777 -2.078) 20.887 5.362 ( 0.906 -9.060 -0.397) 9.113 5.449 ( 9.083 2.811 -1.525) 9.630 5.600 ( 6.821 -0.739 -0.260) 6.866 5.832 ( 0.011 -2.057 0.007) 2.057 5.940 ( -1.949 -4.928 -0.598) 5.333 6.018 ( 0.187 -2.893 -2.883) 4.089 6.215 ( 7.140 -2.103 -4.907) 8.916 6.281 ( 3.549 0.722 1.856) 4.070 6.484 ( 8.346 -4.877 3.194) 10.180 6.612 ( 2.783 -4.239 -3.014) 5.899 6.959 ( 3.114 -0.687 -0.063) 3.190 7.098 ( -3.909 -0.398 0.853) 4.021 7.259 ( -3.165 -1.483 2.275) 4.170 7.399 ( -14.138 -0.261 -0.475) 14.149 7.577 ( -11.326 -3.808 4.361) 12.720 7.733 ( -21.877 4.011 -1.547) 22.296 7.793 ( -15.371 2.315 -2.272) 15.709 7.890 ( -6.809 4.937 5.995) 10.329 7.965 ( -7.288 2.736 -3.653) 8.600 8.120 ( -1.645 7.910 -2.033) 8.331 8.141 ( -11.161 3.318 -8.676) 14.521 8.205 ( -12.062 1.154 -1.091) 12.166 8.619 ( -12.042 -2.125 1.176) 12.285 8.902 ( 3.878 9.144 3.025) 10.383 9.317 ( -0.229 6.006 -1.569) 6.212 9.468 ( 0.246 4.511 -2.782) 5.306 9.588 ( -4.873 3.215 3.055) 6.589 9.854 ( 3.746 2.832 0.382) 4.712 9.981 ( 4.725 -1.133 0.924) 4.946 10.155 ( 9.224 -1.543 -0.668) 9.376 10.334 ( 0.916 4.275 -3.105) 5.362 10.672 ( 8.571 -0.547 6.386) 10.702 10.968 ( 10.040 -10.608 -5.693) 15.676 11.234 ( -4.193 -5.004 7.343) 9.826 11.473 ( -1.327 -6.045 0.891) 6.252 11.746 ( -0.836 2.601 -1.178) 2.975 11.926 ( -1.474 3.201 -2.435) 4.284 12.361 ( 3.661 -1.677 0.690) 4.085 12.457 ( 3.918 -8.304 1.527) 9.308 13.548 ( -2.958 -8.104 -1.051) 8.691 13.639 ( -5.874 -8.094 -1.195) 10.072 14.305 ( -4.068 2.081 0.050) 4.569 14.410 ( -3.243 3.836 -1.316) 5.193 14.705 ( -2.909 0.104 2.491) 3.831 14.786 ( -3.345 0.247 -1.989) 3.900 16.655 ( 0.092 1.027 -0.348) 1.088 16.670 ( 0.025 0.480 -0.520) 0.709 19.092 ( -0.392 10.365 4.802) 11.430 19.220 ( -0.681 9.465 -7.835) 12.306 19.894 ( 0.283 0.609 4.549) 4.599 20.060 ( -0.182 -3.450 -5.506) 6.500 20.163 ( 0.163 1.636 3.369) 3.749 20.263 ( -0.091 0.528 -4.075) 4.110 20.805 ( -0.235 0.916 5.614) 5.693 20.909 ( 0.480 0.124 0.617) 0.791 21.160 ( -5.871 4.374 -2.759) 7.824 21.227 ( -3.965 2.957 2.698) 5.634 22.176 ( 2.584 0.297 1.115) 2.830 22.331 ( 2.550 3.009 -3.701) 5.409 22.501 ( 1.616 -2.986 0.923) 3.518 22.602 ( 0.659 -2.382 -1.142) 2.723 22.700 ( 0.978 0.048 0.527) 1.112 22.752 ( 1.939 -1.624 -2.858) 3.817 23.422 ( -0.176 2.980 12.104) 12.467 23.526 ( 0.638 2.176 -4.669) 5.191 24.189 ( 0.554 -0.845 6.129) 6.212 24.318 ( 1.762 -2.525 -4.610) 5.544 25.508 ( -1.050 5.079 4.950) 7.169 25.526 ( 0.321 4.041 -3.143) 5.129 25.906 ( -0.511 6.641 2.723) 7.196 26.059 ( -3.807 5.414 -4.874) 8.219 26.678 ( 4.129 -4.760 4.909) 7.988 26.938 ( 5.472 -14.809 -8.373) 17.871 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -0.807 11.624 6.987) 13.586 2.615 ( -0.172 15.464 -8.588) 17.690 2.908 ( 13.752 0.876 -11.090) 17.688 3.024 ( 8.153 -0.434 -1.724) 8.345 3.088 ( -10.374 2.835 4.058) 11.495 3.250 ( -7.317 -1.493 -1.445) 7.606 3.465 ( -4.567 5.029 7.402) 10.047 3.593 ( 1.770 1.991 -6.588) 7.106 3.725 ( 2.282 3.791 -0.036) 4.425 3.807 ( -4.711 8.944 -0.269) 10.112 4.013 ( 1.485 0.935 2.514) 3.066 4.100 ( -7.778 -1.201 -0.348) 7.878 4.267 ( -2.557 -10.543 6.560) 12.678 4.471 ( 2.201 -1.687 -5.432) 6.099 4.519 ( -2.269 -7.221 2.287) 7.906 4.625 ( 5.638 -5.499 1.932) 8.109 4.766 ( 2.929 -0.840 -3.217) 4.431 4.881 ( -1.724 -3.002 -0.380) 3.482 5.144 ( 17.543 -8.975 -1.777) 19.786 5.233 ( 5.051 -4.987 -0.442) 7.112 5.298 ( 1.418 -1.073 4.485) 4.825 5.391 ( 8.645 -10.885 -2.748) 14.169 5.438 ( 3.094 6.854 8.315) 11.211 5.587 ( 9.263 2.746 -1.348) 9.756 5.619 ( 0.535 -4.537 -4.764) 6.601 5.754 ( 9.503 4.062 1.775) 10.486 5.829 ( 1.211 -2.243 0.666) 2.635 5.872 ( -1.279 -1.416 2.578) 3.207 6.088 ( 6.506 -1.338 1.629) 6.839 6.272 ( -4.431 -2.029 1.194) 5.018 6.438 ( 13.181 -4.956 -2.506) 14.304 6.599 ( -1.400 -2.144 6.663) 7.139 6.673 ( 4.601 -3.488 -0.819) 5.832 6.896 ( -11.604 -5.991 -0.416) 13.066 6.974 ( 0.871 5.423 -3.766) 6.659 7.131 ( -8.177 6.343 -3.551) 10.941 7.283 ( -10.702 2.375 2.861) 11.329 7.338 ( -2.488 6.465 2.894) 7.507 7.464 ( -5.219 -0.632 7.634) 9.269 7.578 ( -2.666 -0.832 -5.381) 6.063 7.729 ( -7.136 5.032 -2.913) 9.205 7.774 ( -10.608 3.199 -1.740) 11.216 7.948 ( -3.813 0.143 1.157) 3.988 8.017 ( -5.679 -0.860 -1.928) 6.059 8.241 ( 8.358 4.792 -5.352) 11.021 8.391 ( -9.334 1.431 -1.452) 9.554 9.006 ( 6.516 10.036 4.190) 12.678 9.225 ( -7.177 10.130 -2.836) 12.734 9.423 ( -2.810 6.754 5.060) 8.895 9.539 ( -0.717 2.477 -7.119) 7.571 9.957 ( 5.285 2.964 -0.002) 6.059 10.009 ( -1.584 3.303 2.056) 4.201 10.309 ( 4.869 -0.151 0.162) 4.874 10.362 ( 0.981 1.512 -2.188) 2.835 10.849 ( 8.345 -4.345 6.178) 11.255 11.079 ( -3.404 -8.067 -4.790) 9.981 11.210 ( 5.951 -8.913 6.848) 12.718 11.407 ( -5.097 -6.857 0.508) 8.559 11.757 ( 2.167 4.087 -0.980) 4.729 11.879 ( -2.900 4.771 -4.930) 7.449 12.428 ( 2.406 -4.018 3.432) 5.806 12.500 ( 0.417 -6.104 0.282) 6.125 13.504 ( -2.137 -8.270 0.214) 8.544 13.531 ( -2.859 -7.324 -2.371) 8.212 14.254 ( -2.142 3.354 5.469) 6.764 14.363 ( -0.425 3.252 -6.361) 7.157 14.668 ( -0.822 -0.560 3.169) 3.322 14.733 ( -1.551 -0.819 -2.586) 3.125 16.658 ( 0.244 0.906 -0.201) 0.959 16.668 ( -0.248 0.560 -0.523) 0.806 19.086 ( -0.259 10.396 4.606) 11.373 19.207 ( -0.375 9.316 -7.499) 11.964 19.911 ( 1.297 0.683 4.501) 4.734 20.044 ( -1.287 -2.989 -5.466) 6.361 20.169 ( 0.428 1.828 3.182) 3.695 20.256 ( -0.528 0.363 -4.159) 4.208 20.811 ( 0.565 0.960 5.916) 6.020 20.910 ( -0.534 0.212 -1.088) 1.231 21.097 ( -0.252 4.474 0.738) 4.541 21.156 ( -2.573 3.601 0.013) 4.426 22.223 ( 1.957 0.206 3.162) 3.725 22.349 ( -0.406 1.390 -6.008) 6.180 22.537 ( 1.752 -2.668 1.518) 3.535 22.605 ( -0.415 -2.336 -1.793) 2.974 22.717 ( 0.610 -0.239 1.647) 1.773 22.774 ( 0.206 -1.606 -2.946) 3.361 23.406 ( -1.490 3.400 12.303) 12.850 23.556 ( 2.315 2.159 -6.011) 6.794 24.199 ( 0.336 -1.523 7.221) 7.387 24.346 ( 0.888 -2.850 -5.507) 6.264 25.479 ( -1.474 8.382 5.147) 9.946 25.541 ( 1.074 4.801 -3.228) 5.884 25.882 ( -2.703 4.943 7.546) 9.417 26.021 ( 0.815 8.311 -10.102) 13.107 26.743 ( 1.412 -9.253 11.115) 14.531 27.004 ( 1.726 -16.039 -13.455) 21.006 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -5.327 11.008 8.661) 14.985 2.601 ( -0.292 14.866 -4.421) 15.512 2.751 ( -15.391 9.921 3.832) 18.708 3.032 ( -7.695 -0.945 -2.256) 8.074 3.222 ( 12.382 -1.097 -7.669) 14.606 3.258 ( 5.403 -4.005 -3.878) 7.763 3.447 ( 2.184 4.543 6.244) 8.025 3.612 ( -2.804 12.800 2.474) 13.335 3.656 ( 0.199 -4.485 -5.916) 7.426 3.857 ( 4.068 4.101 -1.425) 5.949 3.981 ( -2.782 -7.281 4.868) 9.190 4.107 ( 7.865 2.371 0.587) 8.236 4.299 ( 5.188 -5.659 5.995) 9.741 4.457 ( -0.928 -7.320 -9.494) 12.024 4.526 ( 0.322 -0.114 5.828) 5.838 4.674 ( -5.242 -4.607 -6.354) 9.438 4.724 ( -0.841 -1.523 4.748) 5.057 4.862 ( -2.018 -1.671 -0.445) 2.658 5.081 ( -15.378 -6.171 1.679) 16.655 5.245 ( -6.802 -4.298 -1.137) 8.126 5.370 ( -0.601 -1.049 -1.553) 1.969 5.424 ( 0.562 -11.449 0.240) 11.466 5.481 ( -1.958 -2.759 2.315) 4.100 5.603 ( -11.026 3.195 -3.753) 12.077 5.627 ( -3.267 2.569 -6.121) 7.399 5.759 ( -1.344 2.548 0.321) 2.898 5.810 ( -0.747 -0.116 1.713) 1.872 5.940 ( 0.925 -2.237 -3.743) 4.457 6.094 ( -6.269 -3.217 3.092) 7.695 6.208 ( -1.923 -2.674 4.002) 5.183 6.457 ( -8.896 -3.178 -1.761) 9.610 6.631 ( -5.670 -3.218 1.674) 6.731 6.696 ( 2.270 -6.205 2.057) 6.920 6.801 ( 6.278 -3.583 3.647) 8.096 7.002 ( 4.518 5.315 -3.612) 7.855 7.082 ( 0.086 7.808 -0.559) 7.829 7.263 ( 7.450 0.873 4.311) 8.651 7.347 ( 9.780 9.293 1.804) 13.611 7.470 ( 5.327 1.235 3.464) 6.473 7.644 ( 2.599 1.885 -5.973) 6.782 7.686 ( 6.512 -1.926 -1.078) 6.876 7.762 ( 9.017 5.801 0.779) 10.750 7.858 ( -1.952 -3.893 7.524) 8.693 8.024 ( 3.451 -0.106 -1.506) 3.766 8.214 ( -3.002 5.163 -4.835) 7.684 8.482 ( 10.841 2.233 -7.739) 13.506 9.070 ( -7.043 11.024 -1.627) 13.183 9.156 ( 7.282 9.066 3.805) 12.235 9.396 ( -0.127 4.786 4.912) 6.859 9.565 ( 4.005 3.943 -7.288) 9.203 9.927 ( -4.605 4.173 2.493) 6.696 10.044 ( 1.358 3.492 -1.015) 3.882 10.313 ( -4.877 -0.833 0.393) 4.963 10.346 ( -2.161 1.505 -0.982) 2.810 10.936 ( -6.088 -7.726 0.325) 9.842 10.956 ( -2.044 -5.012 4.005) 6.733 11.304 ( -1.752 -7.908 0.392) 8.109 11.368 ( 5.855 -8.047 2.201) 10.192 11.798 ( -0.653 4.357 -3.524) 5.642 11.848 ( 2.400 4.539 -3.691) 6.323 12.419 ( -3.562 -4.487 4.896) 7.536 12.499 ( -0.261 -5.941 0.015) 5.947 13.476 ( 0.831 -8.106 1.062) 8.217 13.551 ( 3.423 -7.399 -2.601) 8.557 14.210 ( -1.758 5.450 6.264) 8.487 14.399 ( 3.500 1.797 -6.310) 7.436 14.672 ( 1.233 -0.396 2.942) 3.214 14.733 ( 1.490 -1.155 -2.716) 3.306 16.661 ( -0.225 0.811 -0.317) 0.899 16.664 ( 0.109 0.689 -0.290) 0.755 19.085 ( 0.122 10.529 4.703) 11.533 19.206 ( 0.324 9.136 -7.357) 11.734 19.938 ( 1.164 0.417 4.558) 4.723 20.015 ( -1.287 -2.215 -5.466) 6.037 20.179 ( 0.416 1.846 3.355) 3.852 20.244 ( -0.513 0.020 -4.029) 4.061 20.811 ( -0.715 0.963 5.799) 5.922 20.906 ( 0.370 0.394 -0.821) 0.983 21.100 ( 0.461 4.259 0.406) 4.303 21.179 ( 4.754 3.462 -1.801) 6.150 22.245 ( -0.067 0.449 3.303) 3.334 22.323 ( -1.827 0.446 -5.842) 6.137 22.558 ( -0.058 -1.701 1.610) 2.342 22.586 ( -1.175 -2.799 -2.155) 3.723 22.719 ( -0.552 -0.419 2.346) 2.447 22.764 ( -1.044 -1.275 -2.738) 3.196 23.374 ( -1.647 3.278 11.477) 12.049 23.605 ( 2.410 1.627 -6.817) 7.412 24.201 ( -0.266 -1.753 7.198) 7.414 24.348 ( -0.601 -2.375 -5.682) 6.187 25.459 ( -0.559 9.079 4.874) 10.320 25.568 ( 1.774 4.823 -3.586) 6.267 25.822 ( -2.716 4.785 7.709) 9.471 26.070 ( 3.596 8.483 -9.462) 13.207 26.715 ( -4.363 -11.577 12.116) 17.317 27.013 ( -0.626 -13.976 -12.786) 18.953 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -2.328 17.113 14.524) 22.566 2.407 ( -12.990 16.145 3.734) 21.056 2.652 ( -4.082 17.470 1.079) 17.973 2.880 ( -2.983 6.954 -5.800) 9.534 3.333 ( 4.203 -2.561 -3.885) 6.270 3.422 ( 6.734 -2.683 -0.599) 7.274 3.489 ( 1.826 -3.319 0.196) 3.793 3.548 ( -1.654 3.078 1.295) 3.727 3.760 ( 5.979 -6.834 -5.349) 10.539 3.917 ( 2.332 2.272 2.493) 4.101 3.959 ( 0.039 -8.690 6.359) 10.768 4.299 ( 8.169 6.331 -2.651) 10.670 4.352 ( -6.324 -7.292 2.785) 10.046 4.451 ( -0.674 -5.945 -0.875) 6.047 4.500 ( -7.152 -0.975 -5.256) 8.929 4.532 ( 2.104 3.569 0.067) 4.144 4.652 ( -8.258 0.400 3.790) 9.095 4.759 ( -11.408 -10.600 -1.923) 15.691 4.853 ( 0.685 -6.026 7.414) 9.579 5.067 ( -9.529 8.660 -9.687) 16.113 5.127 ( -19.895 12.072 4.703) 23.742 5.310 ( -13.168 -5.137 2.535) 14.360 5.354 ( -6.484 -2.314 -1.332) 7.012 5.421 ( -12.530 -0.992 -4.352) 13.302 5.484 ( -0.981 -3.836 -6.775) 7.847 5.672 ( -11.799 0.730 -6.186) 13.343 5.821 ( 0.114 -1.528 0.708) 1.688 5.898 ( 2.897 -3.798 2.732) 5.503 6.009 ( -4.917 -4.470 -2.533) 7.112 6.150 ( -0.980 -2.375 0.802) 2.691 6.303 ( -9.654 1.641 0.776) 9.823 6.493 ( -2.746 -6.158 0.364) 6.752 6.662 ( -6.793 -2.682 -6.110) 9.522 6.913 ( 4.082 1.186 3.318) 5.392 7.059 ( 2.091 -2.423 5.211) 6.115 7.296 ( 11.996 -2.566 -1.071) 12.314 7.417 ( 2.582 2.520 -1.595) 3.945 7.529 ( 11.270 1.707 7.213) 13.489 7.656 ( 18.595 2.395 4.521) 19.286 7.790 ( 11.924 -0.617 -1.298) 12.011 7.905 ( 8.810 2.830 5.731) 10.884 7.976 ( 12.984 2.839 -3.180) 13.666 8.013 ( 14.334 2.647 1.770) 14.683 8.116 ( 7.144 5.455 -0.443) 9.000 8.246 ( 5.617 1.887 -6.394) 8.718 8.664 ( 6.887 -0.041 -3.528) 7.738 8.959 ( -3.105 10.041 -1.550) 10.624 9.272 ( 2.721 5.997 2.829) 7.168 9.394 ( -1.025 2.927 2.811) 4.185 9.685 ( 7.241 1.847 -5.091) 9.042 9.860 ( -1.755 5.355 -0.106) 5.637 9.990 ( -5.776 -0.598 0.119) 5.808 10.149 ( -10.678 -2.676 -0.160) 11.010 10.302 ( -1.559 5.152 0.606) 5.417 10.777 ( -7.861 -3.221 -4.187) 9.471 10.850 ( -9.098 -7.516 5.809) 13.153 11.305 ( 1.453 -5.850 1.566) 6.228 11.460 ( 2.633 -6.235 1.889) 7.027 11.778 ( -0.117 2.421 -5.169) 5.709 11.913 ( 2.510 2.448 -1.326) 3.748 12.327 ( -4.901 -3.002 4.459) 7.274 12.470 ( -2.763 -7.706 0.086) 8.187 13.536 ( 4.644 -8.234 -0.041) 9.454 13.631 ( 3.773 -7.488 -0.466) 8.398 14.217 ( 2.887 6.103 5.586) 8.763 14.479 ( 4.356 1.297 -5.125) 6.850 14.718 ( 3.233 0.004 1.771) 3.686 14.781 ( 3.048 -0.228 -1.980) 3.642 16.656 ( -0.136 0.923 -0.450) 1.035 16.666 ( -0.018 0.675 -0.136) 0.689 19.090 ( 0.303 10.670 5.025) 11.798 19.216 ( 0.754 9.054 -7.520) 11.794 19.950 ( -0.083 -0.121 4.274) 4.276 20.001 ( 0.007 -1.854 -5.082) 5.410 20.183 ( -0.082 1.844 3.545) 3.997 20.238 ( -0.046 -0.105 -3.671) 3.673 20.803 ( 0.138 0.891 5.475) 5.548 20.907 ( -0.331 0.250 0.633) 0.757 21.147 ( 4.043 4.539 -1.032) 6.165 21.299 ( 6.841 2.320 -3.956) 8.236 22.208 ( -3.554 -0.259 -1.239) 3.773 22.289 ( -1.725 1.860 -0.709) 2.634 22.535 ( -1.509 -1.847 -1.890) 3.043 22.564 ( -1.371 -2.609 1.816) 3.462 22.696 ( -1.542 -0.316 2.040) 2.576 22.738 ( -1.421 -0.723 -2.463) 2.934 23.353 ( -0.519 2.716 10.711) 11.063 23.637 ( 0.694 0.886 -7.284) 7.370 24.192 ( -0.605 -1.323 6.086) 6.257 24.323 ( -1.685 -1.493 -4.980) 5.466 25.456 ( 0.106 6.801 3.799) 7.791 25.604 ( 1.222 2.805 -4.499) 5.441 25.802 ( 1.386 6.401 7.714) 10.119 26.140 ( 3.095 6.270 -7.784) 10.463 26.594 ( -7.127 -8.783 9.961) 15.072 26.968 ( -4.003 -10.628 -8.522) 14.199 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -4.689 20.243 5.544) 21.506 2.374 ( 7.101 23.288 18.045) 30.305 2.483 ( -8.653 15.518 -1.523) 17.833 2.932 ( 4.179 12.871 -3.838) 14.066 3.428 ( 5.827 -0.873 -2.040) 6.235 3.503 ( 2.222 -5.480 0.314) 5.922 3.539 ( 0.160 2.386 -0.935) 2.568 3.571 ( 5.476 -4.950 -1.911) 7.625 3.760 ( -4.965 -3.561 3.367) 6.976 3.898 ( -6.605 -0.667 4.879) 8.239 3.956 ( -2.649 -3.756 0.193) 4.600 4.154 ( -7.282 -1.769 -2.077) 7.776 4.254 ( -6.662 -0.296 4.513) 8.052 4.310 ( -9.641 -5.644 -4.566) 12.069 4.468 ( -5.504 -1.638 1.744) 6.001 4.525 ( 4.712 -4.121 1.641) 6.472 4.600 ( -6.806 2.478 -8.903) 11.477 4.701 ( 3.127 0.066 2.525) 4.020 4.800 ( -6.655 10.510 2.752) 12.740 4.835 ( -0.516 0.431 2.308) 2.404 4.997 ( 0.309 -0.230 0.352) 0.522 5.126 ( -8.881 -0.750 -6.339) 10.937 5.151 ( -10.155 -1.300 -2.496) 10.538 5.222 ( -3.476 1.661 -6.572) 7.618 5.445 ( -2.797 -4.982 -2.236) 6.135 5.543 ( -2.251 -2.349 -1.699) 3.670 5.746 ( -2.623 -2.526 0.817) 3.732 5.933 ( -0.891 -6.130 -2.488) 6.675 5.994 ( -0.872 -2.269 0.303) 2.450 6.116 ( -6.063 -2.039 1.705) 6.620 6.144 ( -0.169 2.109 -1.607) 2.657 6.428 ( -5.550 -5.661 -4.557) 9.144 6.599 ( 2.354 -0.150 1.214) 2.653 6.887 ( -4.651 0.458 -1.031) 4.786 7.096 ( 1.209 -3.439 1.876) 4.100 7.274 ( -4.603 -1.219 -0.300) 4.771 7.651 ( 12.732 -2.058 3.954) 13.490 7.851 ( 16.179 -1.983 4.597) 16.935 7.997 ( 2.304 -1.571 -5.467) 6.137 8.007 ( 13.045 4.268 6.556) 15.210 8.057 ( 14.459 -0.151 2.627) 14.696 8.171 ( 3.791 4.131 -2.114) 5.992 8.225 ( 10.836 4.602 1.345) 11.850 8.318 ( 11.074 4.716 0.868) 12.068 8.431 ( 9.413 3.546 -2.393) 10.340 8.745 ( 0.942 1.495 1.499) 2.317 8.938 ( -0.074 6.192 -2.872) 6.826 9.238 ( -6.511 0.810 -0.023) 6.561 9.344 ( -1.215 -0.043 2.418) 2.706 9.743 ( -8.544 3.797 -3.842) 10.108 9.828 ( 4.451 -0.675 -1.716) 4.818 9.940 ( -8.231 -1.502 1.115) 8.441 9.991 ( 6.149 0.590 -2.299) 6.591 10.269 ( -3.592 4.480 2.214) 6.154 10.616 ( -6.826 -3.226 -1.420) 7.682 10.690 ( -5.918 -3.864 0.403) 7.080 11.332 ( 0.867 -2.976 5.491) 6.306 11.479 ( -0.228 -4.419 -2.094) 4.895 11.792 ( 1.051 1.075 0.394) 1.555 11.931 ( -0.369 -0.560 -3.080) 3.153 12.253 ( -2.177 -3.068 4.940) 6.209 12.400 ( -3.931 -7.658 -1.708) 8.776 13.630 ( 3.967 -8.870 -0.314) 9.722 13.679 ( 1.389 -7.350 -0.442) 7.493 14.318 ( 6.311 4.820 6.033) 9.973 14.552 ( 2.409 0.660 -5.246) 5.810 14.786 ( 3.159 0.674 1.640) 3.622 14.838 ( 2.437 0.606 -2.041) 3.236 16.656 ( 0.133 0.937 -0.481) 1.061 16.663 ( -0.207 0.761 -0.220) 0.819 19.096 ( 0.173 10.717 5.401) 12.003 19.230 ( 0.607 9.174 -7.909) 12.128 19.940 ( -0.946 -0.260 4.662) 4.764 20.011 ( 1.016 -2.281 -5.547) 6.084 20.177 ( -0.465 1.728 3.869) 4.263 20.241 ( 0.372 0.070 -3.545) 3.565 20.816 ( 0.780 0.533 6.645) 6.711 20.902 ( -0.102 0.386 0.618) 0.735 21.234 ( 4.266 3.912 0.373) 5.800 21.424 ( 4.934 0.560 -8.864) 10.160 22.134 ( -2.853 1.284 -0.933) 3.265 22.237 ( -3.754 2.977 0.131) 4.793 22.515 ( -0.655 -3.854 -0.774) 3.985 22.534 ( -1.054 -0.913 1.924) 2.377 22.669 ( -1.006 -0.006 1.365) 1.696 22.712 ( -1.056 -0.413 -2.647) 2.879 23.359 ( 0.908 2.332 10.838) 11.123 23.625 ( -1.805 0.467 -7.279) 7.514 24.182 ( -0.447 -0.621 4.946) 5.005 24.288 ( -1.516 -0.792 -4.134) 4.474 25.463 ( 0.638 3.971 3.368) 5.246 25.597 ( -1.501 0.684 -4.171) 4.485 25.892 ( 6.753 5.817 4.490) 9.980 26.159 ( -1.948 1.115 -5.704) 6.130 26.496 ( -1.076 -0.878 9.448) 9.549 26.856 ( -6.904 -6.072 -6.144) 11.058 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 1.688 15.032 3.136) 15.448 2.655 ( -2.094 16.071 -2.272) 16.365 2.928 ( 7.395 8.621 14.014) 18.038 3.146 ( -1.361 6.654 -4.365) 8.073 3.354 ( -2.803 -11.631 5.543) 13.185 3.455 ( 4.717 -4.763 0.105) 6.704 3.537 ( 0.636 -1.361 -3.650) 3.947 3.600 ( -0.372 -0.029 -3.357) 3.378 3.727 ( -5.448 -3.014 2.914) 6.874 3.753 ( 5.528 -2.342 0.242) 6.008 3.835 ( 0.753 1.527 3.233) 3.654 3.969 ( -2.815 -2.599 -7.458) 8.385 4.121 ( 2.676 -1.713 1.028) 3.340 4.216 ( 3.164 -3.527 4.668) 6.652 4.241 ( -3.638 -5.095 -4.604) 7.771 4.363 ( -4.218 -5.108 -4.568) 8.047 4.611 ( 5.014 -0.304 6.992) 8.609 4.691 ( -2.512 -3.702 -0.186) 4.477 4.852 ( -5.838 2.557 11.210) 12.895 4.918 ( 2.668 2.376 0.688) 3.638 4.972 ( -3.364 3.797 2.183) 5.522 5.172 ( -1.719 4.404 -7.062) 8.498 5.216 ( 0.133 15.983 -4.532) 16.614 5.222 ( -0.502 2.675 -6.446) 6.998 5.405 ( -5.935 1.591 3.631) 7.137 5.526 ( 8.508 0.001 -5.134) 9.937 5.742 ( 1.630 -1.164 2.353) 3.090 5.824 ( -0.236 -0.758 -5.739) 5.794 5.940 ( -4.089 -3.395 -0.545) 5.343 5.952 ( 5.232 -5.804 -2.680) 8.261 6.198 ( 0.056 3.854 1.855) 4.277 6.281 ( -3.009 3.915 -6.355) 8.048 6.659 ( 0.895 -2.500 8.169) 8.590 6.776 ( -2.307 -3.851 -1.465) 4.722 7.100 ( 2.997 -1.409 -1.573) 3.666 7.143 ( -2.754 -2.229 -3.754) 5.162 7.709 ( 0.789 -4.268 3.430) 5.532 7.806 ( -3.199 -8.070 -5.633) 10.348 8.108 ( 3.930 3.716 7.173) 8.984 8.220 ( -1.789 0.107 -0.153) 1.799 8.242 ( 1.356 1.255 1.254) 2.233 8.268 ( 4.929 0.773 1.277) 5.151 8.452 ( 0.217 1.910 3.047) 3.603 8.498 ( 0.121 0.717 0.358) 0.810 8.697 ( 4.320 5.273 0.597) 6.843 8.723 ( -3.096 3.982 -1.289) 5.206 8.970 ( -7.099 -1.898 -0.416) 7.360 8.996 ( 2.209 -3.030 -2.800) 4.680 9.508 ( 4.766 3.885 2.982) 6.834 9.586 ( -3.846 1.978 -4.983) 6.598 9.852 ( -2.827 2.270 5.607) 6.677 9.921 ( 1.870 -0.025 -1.167) 2.204 10.092 ( -4.797 -0.576 0.367) 4.845 10.156 ( 4.909 -3.472 -5.280) 8.002 10.581 ( 0.471 1.597 0.204) 1.677 10.596 ( -0.332 0.007 -1.270) 1.313 11.314 ( -0.628 -0.716 4.760) 4.855 11.378 ( -0.108 -4.487 -0.699) 4.543 11.835 ( -1.790 1.850 1.913) 3.207 11.898 ( 2.308 -0.932 -3.747) 4.499 12.145 ( 0.379 -4.953 4.749) 6.873 12.196 ( -0.226 -6.637 -0.317) 6.649 13.539 ( -0.437 -3.112 0.690) 3.218 13.583 ( 0.757 -4.923 -3.749) 6.234 14.475 ( 1.421 2.458 4.380) 5.220 14.549 ( -1.738 -0.825 -3.057) 3.612 14.845 ( -0.181 1.660 1.427) 2.196 14.881 ( 0.425 0.267 -2.030) 2.091 16.678 ( -0.062 0.860 -0.237) 0.894 16.679 ( 0.098 0.842 -0.359) 0.921 19.332 ( -0.125 11.955 3.953) 12.592 19.432 ( 0.255 9.269 -5.904) 10.993 19.864 ( -0.738 -4.853 2.160) 5.363 19.930 ( 0.599 -6.688 -3.801) 7.716 20.218 ( -0.201 2.636 2.549) 3.672 20.262 ( 0.415 0.496 -1.821) 1.933 20.844 ( 0.046 1.415 6.323) 6.480 20.897 ( -0.060 -0.757 1.999) 2.138 21.318 ( 0.411 0.345 -0.990) 1.126 21.399 ( -2.008 -3.413 -9.086) 9.911 22.214 ( 3.469 3.962 0.932) 5.348 22.230 ( -2.593 3.405 -0.639) 4.327 22.447 ( 0.023 -2.305 1.868) 2.967 22.486 ( 0.298 -3.477 -1.866) 3.957 22.657 ( 0.343 -0.331 0.092) 0.485 22.670 ( -0.236 -1.399 -1.141) 1.821 23.484 ( 1.076 5.713 9.878) 11.462 23.595 ( -1.563 0.491 -0.531) 1.722 24.187 ( -0.103 1.092 0.497) 1.204 24.249 ( -0.301 -1.425 -4.586) 4.812 25.516 ( 0.487 1.087 1.983) 2.313 25.558 ( -0.977 -0.957 -2.230) 2.616 26.040 ( 0.179 3.086 5.882) 6.645 26.138 ( 1.557 -0.163 -2.346) 2.820 26.572 ( 1.830 1.943 3.634) 4.509 26.685 ( -2.314 -2.503 -6.539) 7.374 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 2.393 14.706 -1.022) 14.934 2.706 ( 6.023 11.000 1.965) 12.694 2.909 ( -6.365 9.034 4.958) 12.112 3.153 ( -1.365 8.630 -6.793) 11.067 3.254 ( -4.544 -8.541 3.210) 10.193 3.513 ( -0.241 -0.416 2.730) 2.772 3.549 ( -1.462 3.715 -3.530) 5.329 3.590 ( 0.730 -4.412 -10.021) 10.974 3.698 ( 1.937 -3.081 -0.890) 3.746 3.864 ( 3.648 -4.047 2.909) 6.177 3.914 ( 8.137 -5.906 4.172) 10.886 3.996 ( 5.449 -4.255 -2.218) 7.261 4.187 ( -0.606 -2.633 -4.228) 5.018 4.229 ( 4.632 -1.172 -2.050) 5.199 4.300 ( 4.598 -1.222 6.524) 8.075 4.432 ( 10.825 -2.922 1.435) 11.304 4.623 ( -2.256 -2.331 -2.650) 4.189 4.649 ( -4.049 4.314 6.488) 8.781 4.808 ( 3.666 -3.837 3.289) 6.243 4.938 ( 4.390 2.054 4.706) 6.755 5.023 ( 5.356 1.059 5.927) 8.058 5.098 ( -5.318 9.117 1.379) 10.644 5.223 ( -0.324 -6.314 1.730) 6.554 5.262 ( 6.001 3.963 -1.566) 7.359 5.435 ( 8.289 11.137 -6.912) 15.508 5.677 ( -5.074 5.854 -6.389) 10.042 5.729 ( 7.286 -2.472 -0.588) 7.716 5.797 ( 2.666 1.787 -1.676) 3.621 5.962 ( 1.639 -4.868 -1.825) 5.451 6.090 ( 8.328 -6.338 -4.588) 11.427 6.247 ( 4.479 -0.663 5.118) 6.833 6.276 ( 1.483 8.312 -2.685) 8.860 6.573 ( -6.197 -3.056 1.698) 7.115 6.783 ( 1.782 -8.605 4.257) 9.765 7.115 ( 1.220 1.124 -2.814) 3.267 7.201 ( 4.700 -2.041 -0.348) 5.136 7.625 ( -11.247 -5.762 2.105) 12.811 7.669 ( -8.515 -5.033 0.309) 9.896 8.036 ( -6.848 2.133 -2.586) 7.625 8.071 ( -10.806 0.152 -1.472) 10.907 8.213 ( -7.562 4.556 1.713) 8.993 8.248 ( -8.968 5.075 -3.198) 10.790 8.353 ( -9.136 2.923 1.775) 9.755 8.421 ( -12.113 1.354 1.702) 12.306 8.458 ( -5.555 3.651 -2.966) 7.280 8.733 ( -8.429 -5.863 -2.702) 10.617 8.978 ( 6.636 6.207 4.251) 10.032 9.177 ( 10.161 -3.879 1.856) 11.033 9.473 ( 2.801 5.754 -3.757) 7.420 9.743 ( 9.739 -3.403 -0.617) 10.335 9.785 ( -3.794 4.005 5.529) 7.810 9.890 ( -4.909 -2.765 -1.863) 5.934 10.064 ( 5.556 6.383 -0.463) 8.475 10.352 ( 9.750 -2.412 -1.667) 10.181 10.555 ( 0.824 0.904 0.560) 1.345 10.655 ( 3.595 -2.304 -1.847) 4.652 11.255 ( -4.631 -1.499 3.725) 6.129 11.372 ( -0.940 -5.632 1.010) 5.799 11.812 ( -0.106 3.350 0.429) 3.379 11.969 ( 3.665 1.407 -2.543) 4.677 12.175 ( 2.041 -8.527 3.147) 9.316 12.222 ( 3.035 -5.189 0.605) 6.041 13.507 ( -2.595 -2.440 -0.697) 3.630 13.576 ( -1.750 -5.447 -2.832) 6.383 14.446 ( -4.371 1.707 2.097) 5.140 14.497 ( -2.536 -0.001 -0.381) 2.565 14.805 ( -3.560 2.141 0.814) 4.233 14.858 ( -2.638 0.037 -1.746) 3.164 16.676 ( -0.051 0.952 -0.296) 0.998 16.682 ( 0.120 0.682 -0.321) 0.764 19.328 ( -0.367 11.750 3.651) 12.310 19.429 ( -0.442 9.214 -5.836) 10.916 19.854 ( -0.193 -4.231 2.020) 4.692 19.940 ( 0.488 -6.982 -3.444) 7.800 20.217 ( 0.120 3.014 2.081) 3.665 20.271 ( 0.486 0.366 -1.955) 2.047 20.839 ( -0.505 1.542 5.959) 6.176 20.895 ( -0.106 -0.914 2.034) 2.232 21.297 ( -2.621 -0.372 -0.231) 2.657 21.322 ( -4.871 -1.075 -5.596) 7.496 22.185 ( -0.995 3.234 -0.952) 3.515 22.295 ( 3.034 0.544 -0.933) 3.220 22.444 ( 0.719 -1.012 0.467) 1.326 22.523 ( 2.264 -3.016 -0.898) 3.877 22.672 ( 0.738 -0.741 -0.439) 1.134 22.681 ( 1.788 -0.926 -0.872) 2.194 23.504 ( 0.704 4.955 9.970) 11.156 23.575 ( -0.374 1.708 0.187) 1.758 24.186 ( 0.008 0.941 0.996) 1.371 24.251 ( 0.569 -1.815 -4.581) 4.961 25.535 ( 1.277 0.617 2.251) 2.661 25.551 ( 0.256 -0.250 -1.789) 1.824 26.031 ( -0.547 4.645 4.980) 6.832 26.161 ( 0.125 0.077 -4.067) 4.070 26.602 ( 0.876 -0.100 3.422) 3.534 26.678 ( 1.827 -3.353 -5.766) 6.916 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.674 11.073 1.243) 12.504 2.771 ( -2.032 9.954 2.717) 10.516 2.876 ( 6.319 5.116 -0.742) 8.164 3.074 ( -4.564 6.123 -3.336) 8.334 3.182 ( -3.258 0.342 -3.834) 5.043 3.431 ( -7.455 3.034 -5.670) 9.845 3.499 ( -5.230 -5.097 -2.784) 7.816 3.588 ( 1.690 1.812 -6.364) 6.829 3.754 ( 2.805 1.933 -1.007) 3.552 3.925 ( 3.929 -0.366 5.171) 6.504 4.025 ( 0.626 -7.869 -1.935) 8.128 4.117 ( 1.720 -3.838 -3.388) 5.400 4.198 ( -4.945 -8.979 -0.117) 10.252 4.280 ( 9.874 -7.571 0.768) 12.466 4.427 ( 5.876 6.714 11.326) 14.418 4.538 ( 0.108 0.935 2.644) 2.807 4.643 ( 3.184 4.168 -2.834) 5.962 4.745 ( 10.192 -4.856 1.014) 11.335 4.846 ( 4.068 -4.685 -3.785) 7.268 4.983 ( 2.589 3.964 4.787) 6.732 5.123 ( 5.208 -2.576 4.280) 7.217 5.236 ( 9.560 -2.900 2.522) 10.304 5.257 ( 8.335 0.502 7.825) 11.444 5.464 ( 13.666 0.388 0.893) 13.700 5.574 ( -1.572 -0.300 -2.278) 2.784 5.599 ( 5.847 7.402 -6.013) 11.187 5.788 ( 1.351 -0.147 2.620) 2.952 5.910 ( -2.361 -1.391 1.446) 3.098 6.019 ( 10.456 5.011 -6.277) 13.185 6.171 ( -1.007 1.357 0.690) 1.825 6.329 ( 2.122 3.026 1.984) 4.195 6.382 ( 10.838 -4.547 -2.368) 11.990 6.518 ( 1.558 -4.746 -0.021) 4.996 6.834 ( 1.792 -11.936 4.326) 12.822 7.135 ( -0.664 3.287 -2.249) 4.038 7.228 ( -4.152 -1.327 -0.268) 4.367 7.387 ( -5.910 -0.071 3.629) 6.936 7.487 ( -9.586 -4.442 4.839) 11.620 7.816 ( -16.965 3.130 -3.330) 17.570 7.842 ( -17.025 3.043 -4.046) 17.762 7.948 ( -5.309 1.983 -4.141) 7.019 8.075 ( -14.249 4.837 1.878) 15.164 8.130 ( -9.716 -1.131 -2.732) 10.156 8.215 ( -9.965 1.885 3.161) 10.622 8.330 ( -5.313 7.967 -7.625) 12.241 8.555 ( -8.907 -3.892 -1.147) 9.787 9.077 ( 4.585 8.093 4.320) 10.256 9.325 ( 4.342 -3.592 1.193) 5.760 9.579 ( 2.922 6.244 -2.607) 7.371 9.689 ( -5.965 5.465 -1.948) 8.321 9.849 ( 4.239 -2.488 3.635) 6.114 9.935 ( 9.425 -4.482 -0.251) 10.440 10.226 ( 8.331 8.509 -0.598) 11.924 10.431 ( 0.107 4.876 -2.193) 5.348 10.668 ( 6.775 -1.097 5.223) 8.625 10.748 ( 7.485 -10.068 -3.842) 13.120 11.150 ( -5.754 -2.393 3.045) 6.936 11.333 ( -3.152 -7.981 0.679) 8.608 11.826 ( 1.427 5.916 0.800) 6.138 12.016 ( 0.806 4.974 -1.997) 5.420 12.218 ( 2.310 -10.620 2.751) 11.211 12.297 ( 3.689 -7.011 0.366) 7.931 13.446 ( -3.146 -2.311 -2.102) 4.433 13.510 ( -4.636 -4.902 -1.779) 6.978 14.359 ( -3.310 3.026 1.640) 4.775 14.448 ( -2.373 -0.157 0.168) 2.384 14.724 ( -4.117 1.919 0.733) 4.601 14.787 ( -4.052 -0.372 -1.647) 4.390 16.676 ( 0.040 0.972 -0.266) 1.008 16.683 ( 0.015 0.604 -0.314) 0.681 19.320 ( -0.454 11.527 3.237) 11.981 19.415 ( -0.830 9.028 -5.551) 10.631 19.859 ( 0.633 -3.645 1.645) 4.048 19.946 ( 0.096 -6.806 -3.115) 7.486 20.222 ( 0.244 3.180 1.607) 3.571 20.277 ( 0.059 0.530 -2.097) 2.164 20.833 ( -0.098 1.725 5.453) 5.720 20.896 ( 0.282 -1.141 1.920) 2.251 21.212 ( -4.544 1.200 -2.561) 5.353 21.244 ( -3.422 -0.517 -0.006) 3.461 22.190 ( 1.222 1.501 -0.018) 1.936 22.321 ( 0.147 -3.464 -2.682) 4.383 22.480 ( 2.257 0.722 0.239) 2.382 22.555 ( 0.929 -2.329 -0.932) 2.675 22.691 ( 1.132 -0.199 0.211) 1.169 22.723 ( 1.955 -0.938 -1.742) 2.781 23.514 ( 0.211 4.833 9.721) 10.858 23.578 ( 0.638 1.990 0.860) 2.260 24.187 ( 0.142 0.807 1.560) 1.763 24.268 ( 1.034 -2.560 -5.283) 5.961 25.559 ( 0.815 0.748 2.226) 2.485 25.564 ( 1.104 0.431 -1.691) 2.065 26.023 ( -0.527 5.413 5.957) 8.066 26.143 ( -1.280 1.814 -5.260) 5.710 26.619 ( 0.817 -1.065 3.895) 4.120 26.727 ( 2.600 -6.679 -6.726) 9.829 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -0.897 13.601 9.319) 16.512 2.862 ( 5.359 7.276 -2.333) 9.333 2.955 ( -2.109 1.655 -4.221) 5.001 3.035 ( 3.612 3.140 1.221) 4.939 3.150 ( 0.635 7.206 -9.779) 12.164 3.247 ( -9.289 -0.096 -7.909) 12.200 3.416 ( -2.305 -7.315 4.556) 8.921 3.598 ( -1.342 -1.898 -7.757) 8.098 3.825 ( 5.250 5.300 0.371) 7.469 3.955 ( -6.860 0.592 2.583) 7.354 4.020 ( 3.073 0.297 -4.685) 5.611 4.052 ( -7.047 -5.482 -0.564) 8.946 4.144 ( 3.970 1.087 9.531) 10.382 4.419 ( 1.074 -6.811 -2.773) 7.432 4.467 ( 0.453 2.030 2.788) 3.478 4.557 ( 1.452 -3.391 1.824) 4.115 4.727 ( 0.427 -1.228 3.339) 3.583 4.839 ( 7.738 -1.622 -3.403) 8.608 5.008 ( 7.381 1.304 -0.375) 7.505 5.141 ( 0.569 -4.932 3.076) 5.841 5.175 ( 6.245 -4.250 -2.374) 7.918 5.297 ( -1.392 -1.315 1.681) 2.548 5.501 ( 11.676 -1.077 3.850) 12.342 5.543 ( 2.695 1.345 -3.203) 4.397 5.657 ( 0.401 -2.211 -2.172) 3.125 5.776 ( 3.712 -6.514 -2.436) 7.883 5.816 ( 0.117 1.472 5.782) 5.967 5.863 ( 5.927 1.482 5.755) 8.393 6.068 ( 0.614 2.412 -1.004) 2.684 6.243 ( -4.693 -1.038 1.835) 5.145 6.394 ( 12.692 0.950 -3.367) 13.166 6.550 ( 1.298 -3.011 1.732) 3.708 6.610 ( 6.675 -1.884 -0.814) 6.983 6.756 ( -8.383 -6.880 1.462) 10.943 7.087 ( 0.619 4.868 -0.763) 4.966 7.233 ( -13.490 1.551 1.997) 13.725 7.283 ( 10.216 -0.434 -2.985) 10.652 7.382 ( 1.242 -0.256 7.032) 7.145 7.489 ( -13.467 2.428 3.025) 14.015 7.591 ( -7.084 1.054 1.343) 7.287 7.820 ( -8.458 3.471 -8.174) 12.263 7.860 ( -7.508 5.411 6.273) 11.180 7.956 ( -4.642 -1.769 -6.890) 8.494 7.989 ( -9.997 0.181 1.402) 10.097 8.343 ( 3.977 4.401 -6.472) 8.779 8.410 ( -3.941 0.500 -4.933) 6.333 9.186 ( 6.251 7.692 4.055) 10.709 9.343 ( -2.683 1.192 -0.499) 2.978 9.547 ( -3.784 5.587 2.950) 7.364 9.604 ( -1.439 3.505 -6.879) 7.853 9.998 ( 6.894 2.241 4.495) 8.530 10.087 ( 4.942 1.999 0.215) 5.335 10.333 ( 2.824 3.218 -2.569) 4.993 10.412 ( -2.571 3.014 -1.603) 4.274 10.778 ( 5.485 -2.384 3.175) 6.771 10.897 ( 2.974 -8.780 -2.297) 9.551 11.064 ( -0.161 -4.777 5.272) 7.116 11.246 ( -5.318 -9.060 -1.817) 10.662 11.869 ( 2.876 7.212 2.513) 8.160 12.000 ( -2.061 6.870 -3.160) 7.838 12.261 ( 1.750 -10.732 4.194) 11.655 12.341 ( 0.419 -9.142 -0.531) 9.167 13.398 ( -1.822 -2.658 -1.110) 3.409 13.423 ( -2.615 -3.628 -2.817) 5.285 14.327 ( -0.427 3.696 3.997) 5.461 14.412 ( -0.951 0.836 -2.514) 2.815 14.665 ( -1.453 0.707 1.552) 2.240 14.719 ( -2.357 -0.911 -2.079) 3.272 16.678 ( 0.112 0.894 -0.193) 0.921 16.682 ( -0.113 0.671 -0.318) 0.751 19.313 ( -0.184 11.440 3.036) 11.837 19.400 ( -0.527 8.884 -5.275) 10.346 19.877 ( 1.061 -3.655 1.343) 4.036 19.943 ( -0.421 -6.167 -3.213) 6.967 20.226 ( 0.181 2.990 1.645) 3.417 20.272 ( -0.489 0.835 -2.114) 2.325 20.838 ( 0.392 1.687 5.770) 6.025 20.902 ( 0.139 -0.960 1.147) 1.502 21.152 ( -1.166 1.515 -0.568) 1.994 21.187 ( -1.799 0.018 -1.413) 2.287 22.222 ( 1.678 0.164 1.486) 2.247 22.312 ( -0.964 -3.857 -3.955) 5.608 22.518 ( 1.494 0.017 0.417) 1.551 22.560 ( -0.399 -2.060 -1.217) 2.426 22.711 ( 0.656 0.218 0.834) 1.084 22.746 ( 0.310 -0.847 -2.090) 2.276 23.510 ( -0.787 5.429 10.276) 11.649 23.599 ( 1.350 1.279 0.193) 1.870 24.191 ( 0.158 0.763 1.764) 1.928 24.286 ( 0.789 -3.104 -6.218) 6.994 25.566 ( -0.050 1.618 1.686) 2.337 25.588 ( 1.203 0.433 -1.921) 2.308 25.997 ( -2.237 6.173 8.983) 11.127 26.135 ( 0.703 2.079 -6.877) 7.218 26.624 ( -0.682 -1.993 6.528) 6.859 26.771 ( 1.924 -7.999 -9.483) 12.554 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -2.295 16.724 10.623) 19.945 2.841 ( -4.260 8.311 -3.012) 9.813 2.954 ( -0.228 7.506 2.931) 8.061 3.030 ( -7.228 4.034 -6.761) 10.687 3.147 ( 6.332 -5.005 0.298) 8.077 3.246 ( 4.691 2.315 -12.863) 13.887 3.424 ( 2.035 -7.385 8.140) 11.178 3.551 ( -2.012 -6.118 -8.158) 10.393 3.809 ( -6.016 4.237 2.068) 7.643 3.918 ( -4.879 0.461 3.644) 6.107 3.938 ( 2.979 4.342 3.721) 6.448 4.068 ( 3.928 -4.035 -0.511) 5.654 4.288 ( 7.292 1.261 6.572) 9.898 4.357 ( -3.814 -3.259 -9.998) 11.186 4.499 ( 0.067 -2.355 4.267) 4.874 4.563 ( -1.120 -7.142 -1.549) 7.393 4.719 ( 0.029 -1.552 5.382) 5.601 4.869 ( -6.674 5.836 -6.916) 11.244 5.037 ( -13.759 2.144 2.469) 14.142 5.085 ( 1.354 -5.297 0.349) 5.479 5.196 ( 5.080 -5.408 -4.610) 8.735 5.364 ( 3.853 -5.667 2.843) 7.420 5.484 ( -4.409 5.092 -3.670) 7.671 5.596 ( -6.755 -4.810 -1.363) 8.404 5.654 ( -9.299 -3.623 -0.398) 9.988 5.724 ( -4.418 -8.533 0.867) 9.648 5.883 ( -0.031 3.977 1.403) 4.217 5.904 ( 9.503 4.396 -2.904) 10.866 6.049 ( -5.467 1.095 3.404) 6.532 6.226 ( -1.491 2.456 0.976) 3.035 6.397 ( -7.868 -3.108 -0.862) 8.503 6.522 ( -13.649 -6.142 1.064) 15.005 6.644 ( 8.128 0.370 -0.899) 8.186 6.740 ( 6.804 -2.807 2.298) 7.711 7.075 ( 0.971 2.749 0.537) 2.964 7.202 ( -12.088 -1.355 3.984) 12.800 7.265 ( 12.601 5.338 -2.243) 13.867 7.455 ( 4.052 -0.107 3.946) 5.657 7.558 ( 10.626 6.219 -3.568) 12.819 7.627 ( 15.246 -1.856 -1.685) 15.451 7.691 ( -5.540 2.893 3.410) 7.120 7.811 ( 0.411 -0.618 5.704) 5.752 7.874 ( 5.690 3.699 4.683) 8.245 7.979 ( 4.716 -3.361 -1.243) 5.922 8.339 ( 0.057 6.351 -7.705) 9.985 8.498 ( 7.309 -0.917 -9.383) 11.929 9.241 ( -6.188 6.253 -0.914) 8.845 9.302 ( 4.296 4.438 3.261) 6.984 9.500 ( -0.543 5.705 3.201) 6.564 9.622 ( 2.869 1.268 -4.435) 5.433 10.041 ( -3.082 6.238 1.550) 7.128 10.103 ( -3.273 2.274 -2.473) 4.690 10.306 ( -6.815 0.473 -0.069) 6.831 10.387 ( 2.196 1.147 1.032) 2.683 10.809 ( -5.776 -3.485 0.000) 6.746 10.861 ( -1.540 -3.410 0.963) 3.863 11.140 ( 0.929 -7.687 0.479) 7.758 11.193 ( 4.908 -9.152 0.933) 10.427 11.917 ( -0.070 7.135 1.086) 7.218 11.958 ( -0.306 6.411 -2.566) 6.913 12.275 ( -0.803 -8.858 5.309) 10.358 12.318 ( -2.267 -10.627 -0.552) 10.880 13.377 ( 0.824 -2.079 -0.232) 2.248 13.438 ( 3.061 -4.192 -3.149) 6.071 14.318 ( -0.405 5.023 4.126) 6.513 14.427 ( 2.344 0.317 -3.184) 3.966 14.669 ( 1.668 0.366 1.782) 2.468 14.712 ( 1.828 -1.080 -2.006) 2.921 16.679 ( -0.121 0.839 -0.266) 0.888 16.680 ( 0.066 0.754 -0.187) 0.779 19.315 ( 0.291 11.524 3.158) 11.953 19.396 ( 0.233 8.868 -5.178) 10.272 19.894 ( 0.453 -4.337 1.087) 4.494 19.931 ( -0.627 -5.490 -3.478) 6.529 20.229 ( 0.112 2.600 2.141) 3.370 20.262 ( -0.462 1.154 -1.822) 2.205 20.838 ( -0.531 1.744 5.582) 5.872 20.903 ( -0.016 -0.779 1.067) 1.321 21.154 ( 1.330 1.665 -0.915) 2.319 21.204 ( 3.469 -0.457 -2.535) 4.320 22.239 ( -0.568 -0.492 1.318) 1.517 22.292 ( -0.490 -2.747 -3.591) 4.548 22.535 ( -0.299 -1.075 0.235) 1.140 22.541 ( -0.999 -1.504 -0.844) 1.993 22.713 ( -0.537 0.181 1.067) 1.208 22.737 ( -1.016 -0.760 -1.662) 2.091 23.489 ( -1.348 6.372 9.875) 11.830 23.626 ( 1.168 -0.132 0.123) 1.182 24.193 ( 0.036 0.940 1.318) 1.619 24.293 ( -0.045 -3.068 -6.606) 7.284 25.558 ( -0.824 2.202 1.162) 2.622 25.608 ( 0.780 -0.241 -2.535) 2.663 25.955 ( -1.686 7.459 9.501) 12.196 26.156 ( 1.051 -0.457 -5.072) 5.200 26.594 ( -2.159 -0.065 5.988) 6.366 26.797 ( 0.719 -8.268 -8.962) 12.214 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.547 17.854 11.425) 21.204 2.718 ( -7.036 13.525 -1.010) 15.279 2.873 ( -6.568 3.041 -2.303) 7.595 3.022 ( 4.727 10.135 5.055) 12.273 3.249 ( 2.633 -10.025 -2.906) 10.764 3.350 ( 6.601 1.297 -6.460) 9.327 3.446 ( 0.487 -5.292 4.465) 6.942 3.547 ( 1.246 -2.360 -3.041) 4.046 3.738 ( -2.444 2.508 -0.366) 3.521 3.849 ( -1.120 -0.570 6.334) 6.457 3.962 ( -0.185 2.686 3.862) 4.708 4.152 ( 1.055 -10.346 -0.658) 10.420 4.270 ( -4.801 -5.809 -4.930) 9.005 4.308 ( -5.760 -10.112 -3.260) 12.086 4.463 ( -4.782 -1.081 4.761) 6.834 4.583 ( 5.291 1.172 -0.473) 5.440 4.683 ( -10.129 -4.387 0.681) 11.059 4.740 ( -2.458 5.578 -0.814) 6.149 4.762 ( -6.080 6.679 -1.066) 9.094 5.132 ( -1.212 -6.212 -3.828) 7.397 5.197 ( -7.985 -3.352 1.322) 8.760 5.271 ( -9.641 4.011 -7.955) 13.127 5.385 ( -1.564 1.522 1.273) 2.527 5.414 ( -7.202 1.984 1.207) 7.567 5.501 ( -6.811 2.145 3.434) 7.923 5.617 ( -6.167 -6.845 -6.410) 11.224 5.848 ( -3.485 6.623 0.241) 7.488 5.905 ( -11.109 2.167 2.832) 11.667 5.935 ( -1.681 -1.784 -2.725) 3.665 6.165 ( -3.209 2.031 0.538) 3.835 6.288 ( -4.026 -0.522 3.488) 5.352 6.407 ( 2.394 -2.130 -3.401) 4.672 6.617 ( -7.719 -0.930 -7.297) 10.663 6.857 ( 0.725 -7.240 1.920) 7.525 7.078 ( 1.451 3.823 3.674) 5.497 7.232 ( 9.695 -3.546 -1.073) 10.379 7.437 ( -0.161 0.538 0.734) 0.925 7.525 ( 7.708 -2.356 2.283) 8.377 7.757 ( 16.403 6.572 5.050) 18.378 7.782 ( 11.254 0.644 -1.129) 11.329 7.853 ( 8.027 -3.669 -1.150) 8.900 8.019 ( 14.433 -2.120 3.746) 15.062 8.108 ( 12.922 4.481 3.933) 14.232 8.148 ( 13.872 1.144 6.439) 15.337 8.375 ( 3.639 8.413 -9.270) 13.037 8.622 ( 5.087 -3.722 -6.044) 8.733 9.139 ( -3.533 7.823 -1.109) 8.655 9.325 ( -1.971 -0.772 1.292) 2.480 9.497 ( -2.400 7.035 3.185) 8.087 9.699 ( 4.831 -0.406 -1.346) 5.031 9.928 ( -6.247 0.446 -3.663) 7.256 9.969 ( -8.374 -2.775 -3.424) 9.463 10.183 ( -5.661 7.551 2.724) 9.823 10.401 ( -1.215 3.363 2.053) 4.123 10.691 ( -6.011 -5.214 0.840) 8.002 10.742 ( -8.200 -2.369 -1.798) 8.723 11.191 ( 4.316 -4.537 -0.700) 6.301 11.310 ( 4.906 -8.115 2.945) 9.930 11.872 ( -2.503 6.285 -3.656) 7.690 11.971 ( -0.508 3.438 1.683) 3.861 12.227 ( -3.467 -6.334 4.155) 8.331 12.272 ( -2.489 -10.475 1.000) 10.813 13.431 ( 4.073 -2.222 -0.749) 4.699 13.511 ( 3.612 -4.855 -1.884) 6.338 14.336 ( 2.521 5.590 3.080) 6.862 14.486 ( 3.329 -1.144 -2.551) 4.347 14.728 ( 4.039 1.150 0.907) 4.296 14.775 ( 3.953 -0.537 -1.017) 4.117 16.677 ( -0.058 0.948 -0.309) 0.999 16.681 ( -0.001 0.701 -0.145) 0.715 19.323 ( 0.466 11.746 3.514) 12.269 19.406 ( 0.795 8.971 -5.340) 10.470 19.892 ( -0.507 -4.913 0.719) 4.992 19.922 ( -0.211 -5.565 -3.188) 6.417 20.229 ( -0.192 2.337 2.451) 3.392 20.256 ( -0.084 1.232 -1.449) 1.904 20.830 ( -0.081 1.843 5.200) 5.518 20.900 ( -0.255 -0.938 1.644) 1.910 21.208 ( 3.807 2.073 -2.200) 4.862 21.296 ( 5.270 -1.947 -4.275) 7.060 22.204 ( -2.241 0.517 -1.248) 2.617 22.291 ( -0.050 -1.787 -0.081) 1.790 22.496 ( -2.502 -1.131 -1.223) 3.006 22.533 ( -0.767 -1.443 1.031) 1.932 22.691 ( -1.484 0.088 0.533) 1.579 22.711 ( -1.455 -0.989 -0.934) 1.992 23.468 ( -0.733 6.869 9.348) 11.623 23.638 ( 0.040 -1.166 -0.008) 1.167 24.192 ( -0.115 1.186 0.618) 1.342 24.283 ( -0.843 -2.471 -6.146) 6.678 25.537 ( -1.148 2.275 1.076) 2.766 25.611 ( -0.609 -1.321 -2.925) 3.267 25.949 ( 1.207 7.354 8.309) 11.161 26.162 ( -0.590 -2.986 -1.709) 3.491 26.556 ( -1.412 3.565 3.651) 5.295 26.791 ( -1.356 -7.438 -7.306) 10.514 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -3.195 17.229 1.197) 17.564 2.740 ( -2.687 9.397 -0.117) 9.774 2.756 ( 3.967 14.739 12.153) 19.511 3.125 ( 4.276 6.553 5.774) 9.725 3.306 ( 3.955 -10.776 -1.595) 11.589 3.420 ( 0.964 -7.513 2.940) 8.125 3.503 ( 3.362 1.513 -3.312) 4.955 3.595 ( 3.509 4.740 -3.489) 6.852 3.676 ( -2.170 -2.919 0.611) 3.688 3.836 ( -2.874 -3.789 4.993) 6.895 3.910 ( -5.391 -0.959 -0.091) 5.476 4.078 ( -7.268 -9.641 -5.611) 13.314 4.122 ( -3.013 -1.300 1.632) 3.665 4.264 ( -5.052 -7.033 -4.224) 9.635 4.307 ( -5.941 -2.368 2.576) 6.895 4.537 ( -1.203 -1.566 2.267) 3.006 4.564 ( -11.862 -2.425 -2.755) 12.417 4.712 ( 2.594 -8.383 6.700) 11.041 4.794 ( 5.291 8.061 -4.652) 10.706 4.962 ( -5.629 1.836 6.363) 8.691 5.079 ( -5.072 5.595 -2.944) 8.105 5.230 ( -4.159 6.626 -8.053) 11.227 5.273 ( -7.270 8.046 -4.789) 11.854 5.331 ( -4.658 6.092 1.691) 7.853 5.367 ( 0.411 -2.372 -4.201) 4.842 5.549 ( -1.904 1.360 1.521) 2.790 5.721 ( -4.880 1.531 0.440) 5.133 5.824 ( 0.121 -2.098 -4.130) 4.634 5.912 ( -0.717 -5.583 1.389) 5.798 6.040 ( -5.541 -5.002 0.441) 7.478 6.253 ( -3.287 8.342 0.308) 8.971 6.382 ( -6.314 2.725 -7.526) 10.195 6.573 ( 4.801 -3.165 1.623) 5.974 6.824 ( -1.836 -7.820 0.899) 8.083 7.085 ( -1.379 2.733 -1.420) 3.374 7.230 ( -4.666 -2.966 -1.460) 5.718 7.605 ( 9.943 -2.152 1.285) 10.254 7.735 ( 11.265 -8.127 -2.059) 14.043 7.969 ( 5.494 0.108 -0.146) 5.497 8.014 ( 12.515 -1.555 2.799) 12.918 8.119 ( 15.497 4.532 8.160) 18.091 8.231 ( 5.089 0.793 3.472) 6.211 8.333 ( 9.685 4.625 2.119) 10.940 8.390 ( 9.174 2.639 4.088) 10.384 8.509 ( 8.910 4.401 -5.506) 11.361 8.710 ( 4.709 -3.962 -0.938) 6.225 9.068 ( -5.849 5.851 -3.827) 9.116 9.216 ( -10.519 -2.124 -2.032) 10.922 9.407 ( -1.179 5.992 3.091) 6.845 9.733 ( -5.154 -5.618 0.198) 7.626 9.850 ( 2.470 2.208 -0.349) 3.331 9.904 ( -0.658 -1.004 -3.223) 3.440 10.071 ( -3.392 6.408 -1.547) 7.414 10.314 ( -9.085 -1.674 1.980) 9.448 10.565 ( -2.541 0.088 -0.713) 2.640 10.649 ( -2.978 -0.924 -0.902) 3.246 11.275 ( 3.695 -2.164 1.812) 4.650 11.372 ( 1.395 -5.800 1.190) 6.084 11.841 ( -0.332 3.582 -2.441) 4.348 11.928 ( -3.334 0.277 0.848) 3.451 12.166 ( -2.363 -4.671 4.751) 7.069 12.222 ( -2.203 -8.573 0.092) 8.852 13.510 ( 3.298 -3.141 -0.616) 4.595 13.562 ( 1.527 -4.611 -1.970) 5.242 14.411 ( 4.316 4.435 3.561) 7.140 14.544 ( 2.125 -1.614 -2.818) 3.881 14.808 ( 3.534 1.510 1.042) 3.982 14.847 ( 2.934 0.070 -1.261) 3.194 16.677 ( 0.063 0.946 -0.318) 1.000 16.680 ( -0.083 0.759 -0.203) 0.790 19.331 ( 0.212 11.951 3.878) 12.566 19.422 ( 0.770 9.146 -5.673) 10.790 19.880 ( -0.774 -5.104 1.569) 5.395 19.921 ( 0.229 -6.133 -3.639) 7.134 20.223 ( -0.363 2.377 2.626) 3.561 20.257 ( 0.159 0.900 -1.559) 1.807 20.837 ( 0.511 1.569 5.831) 6.060 20.897 ( -0.058 -0.781 1.863) 2.021 21.282 ( 3.142 1.493 -2.253) 4.145 21.386 ( 3.266 -3.489 -7.790) 9.139 22.175 ( -0.088 2.941 -0.068) 2.943 22.279 ( -1.478 0.620 0.593) 1.709 22.451 ( -1.450 -1.931 -0.154) 2.420 22.509 ( -1.570 -2.009 0.282) 2.565 22.664 ( -0.990 -0.093 0.144) 1.005 22.684 ( -1.159 -1.303 -0.956) 1.989 23.466 ( 0.428 6.582 9.318) 11.416 23.626 ( -1.262 -0.908 -0.367) 1.597 24.189 ( -0.172 1.233 0.288) 1.278 24.263 ( -0.949 -1.728 -5.242) 5.601 25.518 ( -0.668 1.826 1.451) 2.427 25.586 ( -1.620 -1.520 -2.622) 3.436 25.999 ( 3.214 4.891 6.037) 8.408 26.138 ( -1.330 -2.143 0.396) 2.553 26.547 ( 0.489 4.491 2.414) 5.122 26.744 ( -3.016 -5.195 -6.385) 8.766 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 1.063 -4.767 1.832) 5.216 2.821 ( 1.063 4.767 1.832) 5.216 3.068 ( -0.674 -12.520 7.129) 14.424 3.068 ( -0.674 12.520 7.129) 14.424 3.294 ( 3.328 -8.229 -5.618) 10.505 3.294 ( 3.328 8.229 -5.618) 10.505 3.592 ( -0.570 -3.688 2.198) 4.331 3.592 ( -0.570 3.688 2.198) 4.331 3.693 ( -0.936 -2.030 1.211) 2.542 3.693 ( -0.936 2.030 1.211) 2.542 3.919 ( 0.219 -4.331 1.593) 4.620 3.919 ( 0.219 4.331 1.593) 4.620 4.133 ( 3.188 -3.070 -5.321) 6.921 4.133 ( 3.188 3.070 -5.321) 6.921 4.248 ( -3.047 -4.966 0.038) 5.827 4.248 ( -3.047 4.966 0.038) 5.827 4.625 ( 2.042 -1.965 3.073) 4.180 4.625 ( 2.042 1.965 3.073) 4.180 4.919 ( -1.438 -2.902 5.299) 6.210 4.919 ( -1.438 2.902 5.299) 6.210 5.082 ( -4.285 -6.668 -3.724) 8.757 5.082 ( -4.285 6.668 -3.724) 8.757 5.349 ( -8.295 -6.792 1.605) 10.841 5.349 ( -8.295 6.792 1.605) 10.841 5.477 ( 9.751 -5.727 -7.286) 13.452 5.477 ( 9.751 5.727 -7.286) 13.452 5.819 ( 3.195 -6.281 -1.498) 7.204 5.819 ( 3.195 6.281 -1.498) 7.204 5.847 ( -1.504 -4.082 -1.247) 4.525 5.847 ( -1.504 4.082 -1.247) 4.525 6.330 ( -2.533 -4.774 -0.405) 5.419 6.330 ( -2.533 4.774 -0.405) 5.419 6.651 ( -0.497 -5.625 3.867) 6.844 6.651 ( -0.497 5.625 3.867) 6.844 7.105 ( -0.172 -1.443 -4.871) 5.083 7.105 ( -0.172 1.443 -4.871) 5.083 7.687 ( -0.801 -2.748 -1.191) 3.100 7.687 ( -0.801 2.748 -1.191) 3.100 8.178 ( 4.436 -3.158 5.790) 7.948 8.178 ( 4.436 3.158 5.790) 7.948 8.271 ( -0.110 -0.830 -1.465) 1.687 8.271 ( -0.110 0.830 -1.465) 1.687 8.488 ( 0.151 -1.529 2.480) 2.917 8.488 ( 0.151 1.529 2.480) 2.917 8.758 ( 2.132 -0.679 0.907) 2.414 8.758 ( 2.132 0.679 0.907) 2.414 8.956 ( -4.405 -0.743 -3.312) 5.561 8.956 ( -4.405 0.743 -3.312) 5.561 9.581 ( 1.197 -2.605 0.204) 2.874 9.581 ( 1.197 2.605 0.204) 2.874 9.901 ( -1.326 -2.246 3.660) 4.495 9.901 ( -1.326 2.246 3.660) 4.495 10.093 ( 0.438 -1.595 -5.061) 5.324 10.093 ( 0.438 1.595 -5.061) 5.324 10.604 ( 0.024 -0.181 -0.017) 0.184 10.604 ( 0.024 0.181 -0.017) 0.184 11.316 ( -0.252 -1.394 1.431) 2.014 11.316 ( -0.252 1.394 1.431) 2.014 11.872 ( 0.105 -1.818 -0.620) 1.923 11.872 ( 0.105 1.818 -0.620) 1.923 12.107 ( 0.299 -1.622 2.531) 3.021 12.107 ( 0.299 1.622 2.531) 3.021 13.521 ( 0.152 -1.206 -1.857) 2.219 13.521 ( 0.152 1.206 -1.857) 2.219 14.520 ( -0.330 -1.995 1.097) 2.301 14.520 ( -0.330 1.995 1.097) 2.301 14.874 ( 0.209 -0.988 -0.600) 1.175 14.874 ( 0.209 0.988 -0.600) 1.175 16.688 ( 0.006 -0.045 -0.232) 0.236 16.688 ( 0.006 0.045 -0.232) 0.236 19.517 ( -0.037 -3.814 0.267) 3.823 19.517 ( -0.037 3.814 0.267) 3.823 19.811 ( 0.027 -2.744 -2.226) 3.533 19.811 ( 0.027 2.744 -2.226) 3.533 20.257 ( 0.120 -1.136 0.674) 1.326 20.257 ( 0.120 1.136 0.674) 1.326 20.875 ( -0.041 -1.427 4.276) 4.508 20.875 ( -0.041 1.427 4.276) 4.508 21.339 ( -0.678 -2.104 -5.354) 5.793 21.339 ( -0.678 2.104 -5.354) 5.793 22.270 ( 0.680 -0.567 0.513) 1.023 22.270 ( 0.680 0.567 0.513) 1.023 22.426 ( -0.089 -1.289 -0.395) 1.351 22.426 ( -0.089 1.289 -0.395) 1.351 22.656 ( -0.000 -0.182 -0.409) 0.448 22.656 ( -0.000 0.182 -0.409) 0.448 23.574 ( -0.092 -2.877 5.582) 6.280 23.574 ( -0.092 2.877 5.582) 6.280 24.216 ( -0.252 -1.727 -3.212) 3.656 24.216 ( -0.252 1.727 -3.212) 3.656 25.536 ( -0.238 -1.077 -0.272) 1.136 25.536 ( -0.238 1.077 -0.272) 1.136 26.104 ( 1.032 -2.891 3.838) 4.915 26.104 ( 1.032 2.891 3.838) 4.915 26.627 ( -0.525 -3.160 -3.250) 4.563 26.627 ( -0.525 3.160 -3.250) 4.563 ======================= Grid point 191 (103/108) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 1.402 -2.682 -0.882) 3.153 2.847 ( 1.402 2.682 -0.882) 3.153 3.011 ( -3.576 -9.586 6.154) 11.940 3.011 ( -3.576 9.586 6.154) 11.940 3.366 ( 1.612 -11.806 -8.542) 14.661 3.366 ( 1.612 11.806 -8.542) 14.661 3.593 ( 0.956 -5.178 2.243) 5.723 3.593 ( 0.956 5.178 2.243) 5.723 3.722 ( 4.400 -6.831 0.058) 8.126 3.722 ( 4.400 6.831 0.058) 8.126 3.923 ( 0.406 -3.457 0.046) 3.481 3.923 ( 0.406 3.457 0.046) 3.481 4.178 ( -0.708 -2.259 -4.308) 4.915 4.178 ( -0.708 2.259 -4.308) 4.915 4.353 ( 13.745 -4.459 3.829) 14.949 4.353 ( 13.745 4.459 3.829) 14.949 4.645 ( -0.655 -4.635 -2.032) 5.103 4.645 ( -0.655 4.635 -2.032) 5.103 4.865 ( -2.551 -8.148 7.166) 11.147 4.865 ( -2.551 8.148 7.166) 11.147 5.092 ( 4.220 -5.235 5.118) 8.450 5.092 ( 4.220 5.235 5.118) 8.450 5.236 ( -1.305 -5.617 -1.861) 6.059 5.236 ( -1.305 5.617 -1.861) 6.059 5.636 ( 3.593 -6.442 -5.150) 8.996 5.636 ( 3.593 6.442 -5.150) 8.996 5.823 ( 0.618 -7.318 -1.814) 7.565 5.823 ( 0.618 7.318 -1.814) 7.565 5.937 ( 8.763 -8.630 -4.067) 12.954 5.937 ( 8.763 8.630 -4.067) 12.954 6.355 ( 4.486 -6.548 4.113) 8.940 6.355 ( 4.486 6.548 4.113) 8.940 6.567 ( -6.495 -8.787 2.895) 11.304 6.567 ( -6.495 8.787 2.895) 11.304 7.156 ( 4.086 -2.411 -2.479) 5.353 7.156 ( 4.086 2.411 -2.479) 5.353 7.590 ( -8.607 -2.066 0.656) 8.876 7.590 ( -8.607 2.066 0.656) 8.876 8.064 ( -9.306 -0.843 -3.808) 10.091 8.064 ( -9.306 0.843 -3.808) 10.091 8.288 ( -6.106 -1.967 -0.236) 6.419 8.288 ( -6.106 1.967 -0.236) 6.419 8.387 ( -8.984 -2.495 3.008) 9.797 8.387 ( -8.984 2.495 3.008) 9.797 8.598 ( -9.124 -7.636 -2.871) 12.239 8.598 ( -9.124 7.636 -2.871) 12.239 9.087 ( 8.928 -4.948 3.239) 10.709 9.087 ( 8.928 4.948 3.239) 10.709 9.617 ( 4.386 -7.796 -2.182) 9.207 9.617 ( 4.386 7.796 -2.182) 9.207 9.849 ( -3.720 -2.211 1.960) 4.751 9.849 ( -3.720 2.211 1.960) 4.751 10.218 ( 10.400 -8.533 -1.339) 13.519 10.218 ( 10.400 8.533 -1.339) 13.519 10.612 ( 0.704 -3.249 -0.366) 3.345 10.612 ( 0.704 3.249 -0.366) 3.345 11.272 ( -3.736 -3.469 1.470) 5.306 11.272 ( -3.736 3.469 1.470) 5.306 11.912 ( 3.273 -6.107 -0.353) 6.937 11.912 ( 3.273 6.107 -0.353) 6.937 12.129 ( 1.712 -3.242 1.892) 4.125 12.129 ( 1.712 3.242 1.892) 4.125 13.503 ( -2.055 -1.836 -2.150) 3.495 13.503 ( -2.055 1.836 -2.150) 3.495 14.479 ( -3.302 -1.501 1.573) 3.953 14.479 ( -3.302 1.501 1.573) 3.953 14.844 ( -3.061 -1.481 -0.873) 3.511 14.844 ( -3.061 1.481 -0.873) 3.511 16.688 ( 0.015 -0.131 -0.233) 0.268 16.688 ( 0.015 0.131 -0.233) 0.268 19.510 ( -0.658 -3.933 0.167) 3.992 19.510 ( -0.658 3.933 0.167) 3.992 19.816 ( 0.473 -3.310 -2.168) 3.985 19.816 ( 0.473 3.310 -2.168) 3.985 20.263 ( 0.415 -1.370 0.389) 1.483 20.263 ( 0.415 1.370 0.389) 1.483 20.871 ( -0.326 -1.448 4.241) 4.493 20.871 ( -0.326 1.448 4.241) 4.493 21.297 ( -3.129 -0.779 -3.560) 4.803 21.297 ( -3.129 0.779 -3.560) 4.803 22.258 ( -1.212 -3.568 -0.703) 3.833 22.258 ( -1.212 3.568 -0.703) 3.833 22.463 ( 2.828 -2.580 -0.424) 3.852 22.463 ( 2.828 2.580 -0.424) 3.852 22.670 ( 1.403 -0.411 -0.434) 1.525 22.670 ( 1.403 0.411 -0.434) 1.525 23.575 ( 0.209 -1.852 5.806) 6.098 23.575 ( 0.209 1.852 5.806) 6.098 24.214 ( 0.093 -1.791 -2.949) 3.452 24.214 ( 0.093 1.791 -2.949) 3.452 25.542 ( 0.855 -0.392 0.032) 0.941 25.542 ( 0.855 0.392 0.032) 0.941 26.119 ( 0.395 -3.829 2.468) 4.573 26.119 ( 0.395 3.829 2.468) 4.573 26.626 ( 0.384 -2.146 -2.661) 3.440 26.626 ( 0.384 2.146 -2.661) 3.440 ======================= Grid point 193 (104/108) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 1.466 -0.667 -1.340) 2.095 2.875 ( 1.466 0.667 -1.340) 2.095 2.976 ( 0.557 -8.133 6.519) 10.438 2.976 ( 0.557 8.133 6.519) 10.438 3.334 ( -3.866 -9.816 -7.519) 12.955 3.334 ( -3.866 9.816 -7.519) 12.955 3.570 ( -4.410 -5.922 -8.391) 11.177 3.570 ( -4.410 5.922 -8.391) 11.177 3.844 ( 7.069 -7.256 -0.098) 10.130 3.844 ( 7.069 7.256 -0.098) 10.130 3.949 ( 1.214 -3.383 0.971) 3.723 3.949 ( 1.214 3.383 0.971) 3.723 4.189 ( 2.519 -3.354 0.897) 4.290 4.189 ( 2.519 3.354 0.897) 4.290 4.540 ( -1.473 -4.837 5.261) 7.297 4.540 ( -1.473 4.837 5.261) 7.297 4.681 ( 8.667 -4.428 -0.908) 9.775 4.681 ( 8.667 4.428 -0.908) 9.775 4.889 ( 6.137 -9.471 2.591) 11.579 4.889 ( 6.137 9.471 2.591) 11.579 5.176 ( 3.579 -4.439 4.573) 7.309 5.176 ( 3.579 4.439 4.573) 7.309 5.344 ( 11.224 -8.873 0.765) 14.328 5.344 ( 11.224 8.873 0.765) 14.328 5.626 ( -2.265 -3.113 -6.287) 7.372 5.626 ( -2.265 3.113 -6.287) 7.372 5.845 ( 0.265 -4.594 5.032) 6.819 5.845 ( 0.265 4.594 5.032) 6.819 6.156 ( 11.745 -6.350 -4.440) 14.071 6.156 ( 11.745 6.350 -4.440) 14.071 6.376 ( -5.015 -3.622 -0.731) 6.229 6.376 ( -5.015 3.622 -0.731) 6.229 6.548 ( 7.037 -13.125 5.966) 16.043 6.548 ( 7.037 13.125 5.966) 16.043 7.195 ( -1.401 -2.317 -1.837) 3.272 7.195 ( -1.401 2.317 -1.837) 3.272 7.413 ( -6.696 -2.687 4.643) 8.579 7.413 ( -6.696 2.687 4.643) 8.579 7.861 ( -13.636 -1.341 -4.846) 14.533 7.861 ( -13.636 1.341 -4.846) 14.533 8.023 ( -13.026 -5.067 -5.021) 14.852 8.023 ( -13.026 5.067 -5.021) 14.852 8.201 ( -10.777 -3.325 4.731) 12.230 8.201 ( -10.777 3.325 4.731) 12.230 8.465 ( -5.370 -5.482 -5.157) 9.246 8.465 ( -5.370 5.482 -5.157) 9.246 9.221 ( 5.099 -6.381 3.532) 8.900 9.221 ( 5.099 6.381 3.532) 8.900 9.701 ( -1.678 -5.056 -2.732) 5.987 9.701 ( -1.678 5.056 -2.732) 5.987 9.847 ( 8.532 -3.580 1.785) 9.423 9.847 ( 8.532 3.580 1.785) 9.423 10.416 ( 6.816 -8.448 -1.195) 10.920 10.416 ( 6.816 8.448 -1.195) 10.920 10.639 ( 3.314 -3.007 0.987) 4.583 10.639 ( 3.314 3.007 0.987) 4.583 11.184 ( -5.060 -5.731 0.583) 7.668 11.184 ( -5.060 5.731 0.583) 7.668 11.979 ( 3.221 -8.831 1.040) 9.457 11.979 ( 3.221 8.831 1.040) 9.457 12.163 ( 1.261 -5.872 0.901) 6.073 12.163 ( 1.261 5.872 0.901) 6.073 13.443 ( -3.623 -1.753 -2.444) 4.709 13.443 ( -3.623 1.753 -2.444) 4.709 14.417 ( -2.472 -2.563 1.885) 4.029 14.417 ( -2.472 2.563 1.885) 4.029 14.765 ( -4.398 -1.822 -1.041) 4.873 14.765 ( -4.398 1.822 -1.041) 4.873 16.688 ( 0.019 -0.166 -0.227) 0.282 16.688 ( 0.019 0.166 -0.227) 0.282 19.494 ( -0.832 -3.546 -0.119) 3.644 19.494 ( -0.832 3.546 -0.119) 3.644 19.828 ( 0.678 -3.085 -2.044) 3.762 19.828 ( 0.678 3.085 -2.044) 3.762 20.270 ( 0.227 -1.437 0.145) 1.462 20.270 ( 0.227 1.437 0.145) 1.462 20.868 ( 0.069 -1.672 4.104) 4.433 20.868 ( 0.069 1.672 4.104) 4.433 21.228 ( -3.507 -0.818 -2.064) 4.151 21.228 ( -3.507 0.818 -2.064) 4.151 22.242 ( -0.211 -3.698 -0.885) 3.808 22.242 ( -0.211 3.698 -0.885) 3.808 22.508 ( 1.594 -2.071 -0.690) 2.703 22.508 ( 1.594 2.071 -0.690) 2.703 22.704 ( 1.765 -1.055 -0.672) 2.163 22.704 ( 1.765 1.055 -0.672) 2.163 23.583 ( 0.400 -1.720 6.073) 6.324 23.583 ( 0.400 1.720 6.073) 6.324 24.219 ( 0.373 -2.187 -3.148) 3.852 24.219 ( 0.373 2.187 -3.148) 3.852 25.564 ( 1.154 -0.162 -0.031) 1.165 25.564 ( 1.154 0.162 -0.031) 1.165 26.119 ( -0.412 -3.702 2.511) 4.492 26.119 ( -0.412 3.702 2.511) 4.492 26.639 ( 0.843 -2.774 -2.865) 4.076 26.639 ( 0.843 2.774 -2.865) 4.076 ======================= Grid point 195 (105/108) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 1.981 -4.234 1.771) 4.999 2.909 ( 1.981 4.234 1.771) 4.999 3.029 ( 4.014 -6.066 3.873) 8.241 3.029 ( 4.014 6.066 3.873) 8.241 3.230 ( -6.223 -4.226 -2.982) 8.092 3.230 ( -6.223 4.226 -2.982) 8.092 3.455 ( -5.449 -11.996 -13.507) 18.869 3.455 ( -5.450 11.996 -13.507) 18.869 3.921 ( -1.253 -3.015 2.007) 3.833 3.921 ( -1.253 3.015 2.007) 3.833 3.990 ( 4.540 -6.155 -0.184) 7.651 3.990 ( 4.540 6.155 -0.184) 7.651 4.247 ( 2.143 -7.864 1.380) 8.267 4.247 ( 2.143 7.864 1.380) 8.267 4.493 ( -1.401 -0.235 4.696) 4.907 4.493 ( -1.401 0.235 4.696) 4.907 4.775 ( 1.903 -5.198 -1.510) 5.737 4.775 ( 1.903 5.198 -1.510) 5.737 5.080 ( 8.522 -4.550 0.892) 9.701 5.080 ( 8.522 4.550 0.892) 9.701 5.232 ( 1.972 -7.932 3.608) 8.935 5.232 ( 1.972 7.932 3.608) 8.935 5.554 ( 5.196 -9.999 -2.062) 11.455 5.554 ( 5.196 9.999 -2.062) 11.455 5.592 ( -0.792 -3.071 -4.380) 5.408 5.592 ( -0.792 3.071 -4.380) 5.408 5.864 ( 4.940 -1.571 6.988) 8.701 5.864 ( 4.940 1.572 6.988) 8.701 6.176 ( -7.576 -5.741 1.146) 9.574 6.176 ( -7.576 5.741 1.146) 9.574 6.463 ( 12.033 -4.958 -4.809) 13.875 6.463 ( 12.033 4.958 -4.809) 13.875 6.639 ( -1.551 -4.330 3.636) 5.863 6.639 ( -1.551 4.330 3.636) 5.863 7.173 ( -0.119 -4.131 -0.241) 4.140 7.173 ( -0.119 4.131 -0.241) 4.140 7.337 ( -0.019 -3.366 2.927) 4.461 7.337 ( -0.019 3.366 2.927) 4.461 7.564 ( -10.866 -3.634 3.137) 11.879 7.564 ( -10.866 3.634 3.137) 11.879 7.883 ( -2.831 -3.045 -5.634) 7.002 7.883 ( -2.831 3.045 -5.634) 7.002 7.970 ( -11.753 -3.056 2.901) 12.486 7.970 ( -11.753 3.056 2.901) 12.486 8.403 ( -0.194 -1.590 -7.918) 8.079 8.403 ( -0.194 1.590 -7.918) 8.079 9.305 ( 3.223 -4.188 2.582) 5.881 9.305 ( 3.223 4.188 2.582) 5.881 9.626 ( -3.637 -1.729 -1.902) 4.453 9.626 ( -3.637 1.729 -1.902) 4.453 10.060 ( 9.755 -3.425 2.768) 10.702 10.060 ( 9.755 3.425 2.768) 10.702 10.421 ( -4.546 -3.443 -4.121) 7.035 10.421 ( -4.546 3.443 -4.121) 7.035 10.771 ( 7.705 -3.221 3.477) 9.047 10.771 ( 7.705 3.221 3.477) 9.047 11.079 ( -5.078 -6.228 -0.948) 8.091 11.079 ( -5.078 6.228 -0.948) 8.091 12.037 ( 2.563 -9.025 2.505) 9.711 12.037 ( 2.563 9.025 2.505) 9.711 12.165 ( -1.050 -7.579 0.109) 7.652 12.165 ( -1.050 7.579 0.109) 7.652 13.381 ( -2.040 -0.667 -2.536) 3.322 13.381 ( -2.040 0.667 -2.536) 3.322 14.392 ( -0.205 -2.490 1.881) 3.127 14.392 ( -0.205 2.490 1.881) 3.127 14.692 ( -2.392 -1.644 -1.085) 3.099 14.692 ( -2.392 1.644 -1.085) 3.099 16.689 ( 0.003 -0.102 -0.211) 0.235 16.689 ( 0.003 0.102 -0.211) 0.235 19.481 ( -0.386 -3.036 -0.324) 3.078 19.481 ( -0.386 3.036 -0.324) 3.078 19.839 ( 0.413 -2.264 -2.045) 3.078 19.839 ( 0.413 2.264 -2.045) 3.078 20.271 ( -0.142 -1.217 0.202) 1.242 20.271 ( -0.142 1.217 0.202) 1.242 20.874 ( 0.355 -1.751 4.073) 4.448 20.874 ( 0.355 1.751 4.073) 4.448 21.175 ( -1.442 -0.960 -1.837) 2.524 21.175 ( -1.442 0.960 -1.837) 2.524 22.245 ( 0.265 -2.356 -0.810) 2.506 22.245 ( 0.265 2.356 -0.810) 2.506 22.526 ( 0.320 -1.065 -0.624) 1.275 22.526 ( 0.320 1.065 -0.624) 1.275 22.728 ( 0.559 -1.099 -0.706) 1.421 22.728 ( 0.559 1.099 -0.706) 1.421 23.590 ( 0.188 -2.272 6.242) 6.645 23.590 ( 0.188 2.272 6.242) 6.645 24.227 ( 0.417 -2.629 -3.701) 4.559 24.227 ( 0.417 2.629 -3.701) 4.559 25.583 ( 0.675 -0.533 -0.451) 0.971 25.583 ( 0.675 0.533 -0.451) 0.971 26.106 ( -0.917 -4.179 3.922) 5.804 26.106 ( -0.917 4.179 3.922) 5.804 26.654 ( 0.677 -4.092 -3.656) 5.529 26.654 ( 0.677 4.092 -3.656) 5.529 ======================= Grid point 197 (106/108) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -0.171 -2.835 0.303) 2.857 2.935 ( -0.171 2.835 0.303) 2.857 3.053 ( -4.037 -1.684 -1.384) 4.588 3.053 ( -4.037 1.684 -1.384) 4.588 3.167 ( 2.573 -13.159 7.883) 15.554 3.167 ( 2.573 13.159 7.883) 15.554 3.399 ( 0.538 -9.379 -11.158) 14.586 3.399 ( 0.538 9.379 -11.158) 14.586 3.873 ( -3.000 -3.286 4.183) 6.106 3.873 ( -3.000 3.286 4.183) 6.106 4.052 ( 1.170 -3.092 -3.181) 4.588 4.052 ( 1.170 3.092 -3.181) 4.588 4.250 ( -1.828 -1.537 -0.074) 2.389 4.250 ( -1.828 1.537 -0.074) 2.389 4.484 ( -0.273 -3.000 5.436) 6.215 4.484 ( -0.273 3.000 5.436) 6.215 4.813 ( 2.217 -9.154 -4.035) 10.246 4.813 ( 2.217 9.154 -4.035) 10.246 5.100 ( -7.493 -0.938 -0.364) 7.560 5.100 ( -7.493 0.938 -0.364) 7.560 5.236 ( -0.569 -8.048 2.644) 8.490 5.236 ( -0.569 8.048 2.644) 8.490 5.531 ( -3.452 -3.739 1.352) 5.266 5.531 ( -3.452 3.739 1.352) 5.266 5.584 ( -2.487 -5.156 -4.525) 7.297 5.584 ( -2.487 5.156 -4.525) 7.297 5.939 ( -0.666 -1.420 -0.768) 1.746 5.939 ( -0.666 1.420 -0.768) 1.746 6.170 ( 7.577 -7.720 2.892) 11.197 6.170 ( 7.577 7.720 2.892) 11.197 6.412 ( -15.431 -4.583 -0.752) 16.115 6.412 ( -15.431 4.583 -0.752) 16.115 6.683 ( 6.291 -2.851 -0.237) 6.911 6.683 ( 6.291 2.851 -0.237) 6.911 7.134 ( -3.322 -3.470 2.664) 5.493 7.134 ( -3.322 3.470 2.664) 5.493 7.390 ( 5.603 -5.459 -1.911) 8.053 7.390 ( 5.603 5.459 -1.911) 8.053 7.616 ( 11.204 -0.394 2.808) 11.557 7.616 ( 11.204 0.394 2.808) 11.557 7.774 ( -4.094 -3.830 0.633) 5.642 7.774 ( -4.094 3.830 0.633) 5.642 7.923 ( 6.701 -1.932 4.855) 8.497 7.923 ( 6.701 1.932 4.855) 8.497 8.446 ( 3.866 -4.176 -9.845) 11.371 8.446 ( 3.866 4.176 -9.845) 11.371 9.323 ( -1.753 -1.859 1.057) 2.766 9.323 ( -1.753 1.859 1.057) 2.766 9.601 ( 1.446 -3.498 0.256) 3.794 9.601 ( 1.446 3.498 0.256) 3.794 10.121 ( -6.330 -1.240 -2.471) 6.907 10.121 ( -6.330 1.240 -2.471) 6.907 10.350 ( 0.431 -3.790 2.140) 4.373 10.350 ( 0.431 3.790 2.140) 4.373 10.818 ( -4.729 -2.326 -0.647) 5.310 10.818 ( -4.729 2.326 -0.647) 5.310 11.060 ( 4.607 -1.840 0.609) 4.998 11.060 ( 4.607 1.840 0.609) 4.998 12.061 ( -1.114 -3.603 0.513) 3.806 12.061 ( -1.114 3.603 0.513) 3.806 12.139 ( -0.736 -3.253 2.311) 4.058 12.139 ( -0.736 3.253 2.311) 4.058 13.378 ( 1.783 -1.784 -2.248) 3.379 13.378 ( 1.783 1.784 -2.248) 3.379 14.400 ( 0.898 -2.938 1.234) 3.311 14.400 ( 0.898 2.938 1.234) 3.311 14.688 ( 1.963 -1.292 -0.703) 2.453 14.688 ( 1.963 1.292 -0.703) 2.453 16.688 ( -0.016 -0.029 -0.195) 0.198 16.688 ( -0.016 0.029 -0.195) 0.198 19.481 ( 0.399 -2.724 -0.323) 2.772 19.481 ( 0.399 2.724 -0.323) 2.772 19.841 ( -0.279 -1.427 -2.191) 2.630 19.841 ( -0.279 1.427 -2.191) 2.630 20.267 ( -0.215 -0.874 0.608) 1.086 20.267 ( -0.215 0.874 0.608) 1.086 20.876 ( -0.250 -1.844 3.798) 4.229 20.876 ( -0.250 1.844 3.798) 4.229 21.182 ( 2.215 -1.349 -2.401) 3.534 21.182 ( 2.215 1.349 -2.401) 3.534 22.246 ( -0.236 -1.448 -0.898) 1.720 22.246 ( -0.236 1.448 -0.898) 1.720 22.523 ( -0.642 -0.216 -0.350) 0.762 22.523 ( -0.642 0.216 -0.350) 0.762 22.725 ( -0.840 -0.705 -0.358) 1.153 22.725 ( -0.840 0.705 -0.358) 1.153 23.590 ( -0.240 -3.489 6.162) 7.086 23.590 ( -0.240 3.489 6.162) 7.086 24.232 ( 0.166 -2.768 -4.159) 4.999 24.232 ( 0.166 2.768 -4.159) 4.999 25.588 ( -0.185 -1.321 -0.955) 1.640 25.588 ( -0.185 1.321 -0.955) 1.640 26.087 ( -0.911 -5.487 5.440) 7.780 26.087 ( -0.911 5.487 5.440) 7.780 26.662 ( 0.190 -5.536 -4.232) 6.971 26.662 ( 0.190 5.536 -4.232) 6.971 ======================= Grid point 199 (107/108) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -4.269 -2.625 -1.703) 5.293 2.878 ( -4.269 2.625 -1.703) 5.293 3.008 ( 0.062 -14.105 5.579) 15.168 3.008 ( 0.062 14.105 5.579) 15.168 3.224 ( 2.237 -10.429 2.420) 10.937 3.224 ( 2.237 10.429 2.420) 10.937 3.472 ( 5.830 -5.613 -1.746) 8.279 3.472 ( 5.830 5.613 -1.746) 8.279 3.812 ( -3.329 -4.486 1.912) 5.904 3.812 ( -3.329 4.486 1.912) 5.904 4.025 ( -3.634 -3.178 -4.652) 6.704 4.025 ( -3.634 3.178 -4.652) 6.704 4.190 ( -3.647 -1.038 -0.250) 3.800 4.190 ( -3.647 1.038 -0.250) 3.800 4.485 ( 0.413 -5.152 7.103) 8.785 4.485 ( 0.413 5.152 7.103) 8.785 4.767 ( -12.166 -5.155 -3.881) 13.771 4.767 ( -12.166 5.155 -3.881) 13.771 4.928 ( -2.056 -9.121 -1.167) 9.422 4.928 ( -2.056 9.121 -1.167) 9.422 5.236 ( -0.180 -5.055 -2.392) 5.595 5.236 ( -0.180 5.055 -2.392) 5.595 5.456 ( -5.721 -6.001 -6.763) 10.700 5.456 ( -5.721 6.001 -6.763) 10.700 5.494 ( -2.739 -4.676 4.102) 6.797 5.494 ( -2.739 4.676 4.102) 6.797 5.907 ( -4.404 -1.269 0.693) 4.635 5.907 ( -4.404 1.269 0.693) 4.635 6.064 ( -11.944 -9.292 1.577) 15.215 6.064 ( -11.944 9.292 1.577) 15.215 6.372 ( 6.971 -3.354 0.676) 7.765 6.372 ( 6.971 3.354 0.676) 7.765 6.679 ( -6.481 -8.080 -5.738) 11.841 6.679 ( -6.481 8.080 -5.738) 11.841 7.159 ( 5.201 -3.838 1.471) 6.629 7.159 ( 5.201 3.838 1.471) 6.629 7.467 ( 2.059 -2.594 1.093) 3.488 7.467 ( 2.059 2.594 1.093) 3.488 7.797 ( 10.531 -1.873 0.048) 10.696 7.797 ( 10.531 1.873 0.048) 10.696 7.910 ( 13.281 -7.283 3.311) 15.504 7.910 ( 13.281 7.283 3.311) 15.504 8.164 ( 14.893 -0.784 6.867) 16.418 8.164 ( 14.893 0.784 6.867) 16.418 8.523 ( 3.778 -6.233 -8.061) 10.867 8.523 ( 3.778 6.233 -8.061) 10.867 9.266 ( -3.374 -4.834 -0.416) 5.910 9.266 ( -3.374 4.834 -0.416) 5.910 9.636 ( -0.309 -5.985 2.279) 6.412 9.636 ( -0.309 5.985 2.279) 6.412 9.928 ( -8.396 -0.535 -4.968) 9.771 9.928 ( -8.396 0.535 -4.968) 9.771 10.355 ( -2.921 -7.546 3.968) 9.012 10.355 ( -2.921 7.546 3.968) 9.012 10.683 ( -6.299 -3.482 -2.544) 7.634 10.683 ( -6.299 3.482 -2.544) 7.634 11.178 ( 5.990 -3.796 1.093) 7.175 11.178 ( 5.990 3.796 1.093) 7.175 11.999 ( -4.280 -4.250 -1.074) 6.127 11.999 ( -4.280 4.250 -1.074) 6.127 12.133 ( -0.597 -1.528 3.858) 4.192 12.133 ( -0.597 1.528 3.858) 4.192 13.437 ( 3.599 -2.377 -1.821) 4.681 13.437 ( 3.599 2.377 -1.821) 4.681 14.433 ( 2.532 -3.953 0.541) 4.725 14.433 ( 2.532 3.953 0.541) 4.725 14.756 ( 4.365 -1.353 -0.260) 4.578 14.756 ( 4.365 1.353 -0.260) 4.578 16.688 ( -0.014 -0.101 -0.199) 0.224 16.688 ( -0.014 0.101 -0.199) 0.224 19.495 ( 0.872 -2.783 -0.154) 2.921 19.495 ( 0.872 2.783 -0.154) 2.921 19.830 ( -0.713 -1.268 -2.254) 2.683 19.830 ( -0.713 1.268 -2.254) 2.683 20.263 ( -0.229 -0.757 0.926) 1.218 20.263 ( -0.229 0.757 0.926) 1.218 20.871 ( -0.175 -1.951 3.603) 4.101 20.871 ( -0.175 1.951 3.603) 4.101 21.249 ( 4.056 -2.283 -3.703) 5.947 21.249 ( 4.056 2.283 -3.703) 5.947 22.238 ( -0.316 -2.738 -0.532) 2.807 22.238 ( -0.316 2.738 -0.532) 2.807 22.501 ( -1.609 -1.335 -0.045) 2.091 22.501 ( -1.609 1.335 -0.045) 2.091 22.699 ( -1.624 -0.517 -0.165) 1.712 22.699 ( -1.624 0.517 -0.165) 1.712 23.584 ( -0.424 -4.377 5.849) 7.317 23.584 ( -0.424 4.377 5.849) 7.317 24.231 ( -0.221 -2.486 -4.155) 4.847 24.231 ( -0.221 2.486 -4.155) 4.847 25.575 ( -1.054 -1.893 -1.116) 2.438 25.575 ( -1.054 1.893 -1.116) 2.438 26.076 ( -0.172 -5.321 6.017) 8.034 26.076 ( -0.172 5.321 6.017) 8.034 26.659 ( -0.487 -6.007 -4.289) 7.397 26.659 ( -0.487 6.007 -4.289) 7.397 ======================= Grid point 201 (108/108) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -1.345 -2.195 2.430) 3.540 2.819 ( -1.345 2.195 2.430) 3.540 3.035 ( 2.324 -14.434 5.277) 15.543 3.035 ( 2.324 14.434 5.277) 15.543 3.259 ( 1.379 -8.194 -0.444) 8.321 3.259 ( 1.379 8.194 -0.444) 8.321 3.573 ( 3.308 -4.936 2.877) 6.602 3.573 ( 3.308 4.936 2.877) 6.602 3.740 ( -3.614 -5.851 -1.232) 6.987 3.740 ( -3.614 5.851 -1.232) 6.987 3.942 ( -3.263 -4.336 -3.081) 6.240 3.942 ( -3.263 4.336 -3.081) 6.240 4.134 ( -1.755 -3.365 -0.340) 3.810 4.134 ( -1.755 3.365 -0.340) 3.810 4.400 ( -11.214 -8.336 1.729) 14.080 4.400 ( -11.214 8.336 1.729) 14.080 4.589 ( -0.012 -3.703 3.325) 4.977 4.589 ( -0.012 3.703 3.325) 4.977 4.930 ( 0.045 -4.727 -0.892) 4.810 4.930 ( 0.045 4.727 -0.892) 4.810 5.211 ( -5.425 -6.632 -4.885) 9.863 5.211 ( -5.425 6.632 -4.885) 9.863 5.338 ( 0.700 -1.019 -8.724) 8.811 5.338 ( 0.700 1.019 -8.724) 8.811 5.487 ( -2.632 -7.137 5.498) 9.386 5.487 ( -2.632 7.137 5.498) 9.386 5.795 ( -3.091 -5.303 1.348) 6.284 5.795 ( -3.091 5.303 1.348) 6.284 5.913 ( -4.870 -7.896 -1.470) 9.392 5.913 ( -4.870 7.896 -1.470) 9.392 6.425 ( -4.525 -6.838 -1.359) 8.312 6.425 ( -4.525 6.838 -1.359) 8.312 6.600 ( 2.675 -12.261 -0.903) 12.581 6.600 ( 2.675 12.261 -0.903) 12.581 7.161 ( -3.874 -3.941 -2.608) 6.110 7.161 ( -3.874 3.941 -2.608) 6.110 7.608 ( 8.682 -3.428 -1.062) 9.395 7.608 ( 8.682 3.428 -1.062) 9.395 7.985 ( 10.075 -1.256 2.312) 10.413 7.985 ( 10.075 1.256 2.312) 10.413 8.200 ( 11.585 -3.268 7.318) 14.087 8.200 ( 11.585 3.268 7.318) 14.087 8.399 ( 7.793 -1.799 2.957) 8.527 8.399 ( 7.793 1.799 2.957) 8.527 8.612 ( 6.500 -5.521 -3.975) 9.409 8.612 ( 6.500 5.521 -3.975) 9.409 9.160 ( -9.107 -3.584 -3.559) 10.414 9.160 ( -9.107 3.584 -3.559) 10.414 9.569 ( -2.332 -9.356 2.542) 9.971 9.569 ( -2.332 9.356 2.542) 9.971 9.888 ( 1.887 -1.251 -1.814) 2.901 9.888 ( 1.887 1.251 -1.814) 2.901 10.211 ( -9.709 -7.063 -0.614) 12.022 10.211 ( -9.709 7.063 -0.614) 12.022 10.614 ( -1.304 -2.959 -0.495) 3.271 10.614 ( -1.304 2.959 -0.495) 3.271 11.277 ( 3.818 -2.831 0.996) 4.856 11.277 ( 3.818 2.831 0.996) 4.856 11.914 ( -3.813 -2.709 -0.614) 4.717 11.914 ( -3.813 2.709 -0.614) 4.717 12.115 ( -0.949 -1.135 3.188) 3.515 12.115 ( -0.949 1.135 3.188) 3.515 13.498 ( 2.282 -1.584 -1.684) 3.248 13.498 ( 2.282 1.584 -1.684) 3.248 14.491 ( 2.821 -3.500 0.591) 4.533 14.491 ( 2.821 3.500 0.591) 4.533 14.837 ( 3.346 -1.073 -0.289) 3.526 14.837 ( 3.346 1.073 -0.289) 3.526 16.688 ( -0.001 -0.079 -0.218) 0.232 16.688 ( -0.001 0.079 -0.218) 0.232 19.511 ( 0.645 -3.252 0.097) 3.317 19.511 ( 0.645 3.252 0.097) 3.317 19.816 ( -0.499 -1.812 -2.227) 2.914 19.816 ( -0.499 1.812 -2.227) 2.914 20.258 ( -0.202 -0.893 0.899) 1.283 20.258 ( -0.202 0.893 0.899) 1.283 20.872 ( 0.184 -1.692 3.925) 4.279 20.872 ( 0.184 1.692 3.925) 4.279 21.319 ( 2.644 -2.679 -5.337) 6.531 21.319 ( 2.644 2.679 -5.337) 6.531 22.244 ( 1.073 -3.495 0.533) 3.694 22.244 ( 1.073 3.495 0.533) 3.694 22.460 ( -2.408 -2.295 -0.137) 3.329 22.460 ( -2.408 2.295 -0.137) 3.329 22.669 ( -1.244 -0.436 -0.321) 1.357 22.669 ( -1.244 0.436 -0.321) 1.357 23.577 ( -0.313 -4.114 5.576) 6.936 23.577 ( -0.313 4.114 5.576) 6.936 24.224 ( -0.412 -2.027 -3.731) 4.266 24.224 ( -0.412 2.027 -3.731) 4.266 25.551 ( -1.183 -1.738 -0.774) 2.240 25.551 ( -1.183 1.738 -0.774) 2.240 26.083 ( 0.791 -3.485 5.362) 6.444 26.083 ( 0.791 3.485 5.362) 6.444 26.644 ( -0.919 -5.004 -3.934) 6.431 26.644 ( -0.919 5.004 -3.934) 6.431 =================== 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 3/33600 10.0 919.358 1234.416 1201.495 0.000 -52.647 0.000 3/33600 20.0 434.314 389.053 382.632 0.000 30.787 0.000 3/33600 30.0 147.749 125.212 117.418 0.000 6.488 0.000 3/33600 40.0 71.468 60.317 55.246 0.000 1.984 0.000 3/33600 50.0 42.440 36.211 32.736 0.000 0.777 0.000 3/33600 60.0 28.772 24.799 22.229 0.000 0.366 0.000 3/33600 70.0 21.318 18.491 16.476 0.000 0.199 0.000 3/33600 80.0 16.794 14.609 12.964 0.000 0.121 0.000 3/33600 90.0 13.819 12.028 10.642 0.000 0.081 0.000 3/33600 100.0 11.738 10.209 9.013 0.000 0.059 0.000 3/33600 110.0 10.209 8.868 7.816 0.000 0.045 0.000 3/33600 120.0 9.042 7.842 6.903 0.000 0.036 0.000 3/33600 130.0 8.123 7.035 6.186 0.000 0.030 0.000 3/33600 140.0 7.380 6.384 5.608 0.000 0.026 0.000 3/33600 150.0 6.766 5.848 5.133 0.000 0.023 0.000 3/33600 160.0 6.251 5.399 4.735 0.000 0.021 0.000 3/33600 170.0 5.812 5.019 4.398 0.000 0.019 0.000 3/33600 180.0 5.433 4.691 4.108 0.000 0.018 0.000 3/33600 190.0 5.102 4.407 3.856 0.000 0.016 0.000 3/33600 200.0 4.811 4.157 3.635 0.000 0.016 0.000 3/33600 210.0 4.552 3.936 3.439 0.000 0.015 0.000 3/33600 220.0 4.321 3.739 3.265 0.000 0.014 0.000 3/33600 230.0 4.114 3.562 3.109 0.000 0.014 0.000 3/33600 240.0 3.926 3.402 2.968 0.000 0.013 0.000 3/33600 250.0 3.755 3.258 2.840 0.000 0.013 0.000 3/33600 260.0 3.599 3.125 2.723 0.000 0.012 0.000 3/33600 270.0 3.456 3.004 2.616 0.000 0.012 0.000 3/33600 280.0 3.324 2.893 2.518 0.000 0.012 0.000 3/33600 290.0 3.202 2.790 2.427 0.000 0.012 0.000 3/33600 300.0 3.089 2.694 2.343 0.000 0.011 0.000 3/33600 310.0 2.984 2.606 2.265 0.000 0.011 0.000 3/33600 320.0 2.886 2.523 2.193 0.000 0.011 0.000 3/33600 330.0 2.795 2.445 2.125 0.000 0.011 0.000 3/33600 340.0 2.709 2.373 2.061 0.000 0.010 0.000 3/33600 350.0 2.629 2.305 2.001 0.000 0.010 0.000 3/33600 360.0 2.553 2.241 1.945 0.000 0.010 0.000 3/33600 370.0 2.482 2.180 1.892 0.000 0.010 0.000 3/33600 380.0 2.415 2.123 1.842 0.000 0.010 0.000 3/33600 390.0 2.351 2.069 1.794 0.000 0.010 0.000 3/33600 400.0 2.291 2.017 1.749 0.000 0.010 0.000 3/33600 410.0 2.234 1.969 1.706 0.000 0.009 0.000 3/33600 420.0 2.179 1.922 1.666 0.000 0.009 0.000 3/33600 430.0 2.127 1.878 1.627 0.000 0.009 0.000 3/33600 440.0 2.078 1.836 1.590 0.000 0.009 0.000 3/33600 450.0 2.031 1.796 1.555 0.000 0.009 0.000 3/33600 460.0 1.986 1.757 1.521 0.000 0.009 0.000 3/33600 470.0 1.943 1.720 1.489 0.000 0.009 0.000 3/33600 480.0 1.902 1.685 1.459 0.000 0.008 0.000 3/33600 490.0 1.863 1.651 1.429 0.000 0.008 0.000 3/33600 500.0 1.825 1.619 1.401 0.000 0.008 0.000 3/33600 510.0 1.789 1.587 1.373 0.000 0.008 0.000 3/33600 520.0 1.754 1.557 1.347 0.000 0.008 0.000 3/33600 530.0 1.721 1.528 1.322 0.000 0.008 0.000 3/33600 540.0 1.688 1.501 1.298 0.000 0.008 0.000 3/33600 550.0 1.657 1.474 1.274 0.000 0.008 0.000 3/33600 560.0 1.628 1.448 1.252 0.000 0.008 0.000 3/33600 570.0 1.599 1.423 1.230 0.000 0.008 0.000 3/33600 580.0 1.571 1.399 1.209 0.000 0.007 0.000 3/33600 590.0 1.544 1.376 1.189 0.000 0.007 0.000 3/33600 600.0 1.518 1.353 1.169 0.000 0.007 0.000 3/33600 610.0 1.493 1.331 1.150 0.000 0.007 0.000 3/33600 620.0 1.469 1.310 1.132 0.000 0.007 0.000 3/33600 630.0 1.446 1.290 1.114 0.000 0.007 0.000 3/33600 640.0 1.423 1.270 1.097 0.000 0.007 0.000 3/33600 650.0 1.401 1.251 1.080 0.000 0.007 0.000 3/33600 660.0 1.380 1.232 1.064 0.000 0.007 0.000 3/33600 670.0 1.359 1.214 1.049 0.000 0.007 0.000 3/33600 680.0 1.339 1.196 1.033 0.000 0.007 0.000 3/33600 690.0 1.319 1.179 1.018 0.000 0.007 0.000 3/33600 700.0 1.300 1.163 1.004 0.000 0.006 0.000 3/33600 710.0 1.282 1.146 0.990 0.000 0.006 0.000 3/33600 720.0 1.264 1.131 0.977 0.000 0.006 0.000 3/33600 730.0 1.247 1.116 0.963 0.000 0.006 0.000 3/33600 740.0 1.230 1.101 0.950 0.000 0.006 0.000 3/33600 750.0 1.213 1.086 0.938 0.000 0.006 0.000 3/33600 760.0 1.197 1.072 0.926 0.000 0.006 0.000 3/33600 770.0 1.182 1.058 0.914 0.000 0.006 0.000 3/33600 780.0 1.167 1.045 0.902 0.000 0.006 0.000 3/33600 790.0 1.152 1.032 0.891 0.000 0.006 0.000 3/33600 800.0 1.137 1.019 0.880 0.000 0.006 0.000 3/33600 810.0 1.123 1.007 0.869 0.000 0.006 0.000 3/33600 820.0 1.110 0.995 0.859 0.000 0.006 0.000 3/33600 830.0 1.096 0.983 0.848 0.000 0.006 0.000 3/33600 840.0 1.083 0.971 0.838 0.000 0.006 0.000 3/33600 850.0 1.070 0.960 0.829 0.000 0.006 0.000 3/33600 860.0 1.058 0.949 0.819 0.000 0.005 0.000 3/33600 870.0 1.046 0.938 0.810 0.000 0.005 0.000 3/33600 880.0 1.034 0.928 0.801 0.000 0.005 0.000 3/33600 890.0 1.022 0.917 0.792 0.000 0.005 0.000 3/33600 900.0 1.011 0.907 0.783 0.000 0.005 0.000 3/33600 910.0 1.000 0.898 0.774 0.000 0.005 0.000 3/33600 920.0 0.989 0.888 0.766 0.000 0.005 0.000 3/33600 930.0 0.978 0.878 0.758 0.000 0.005 0.000 3/33600 940.0 0.968 0.869 0.750 0.000 0.005 0.000 3/33600 950.0 0.958 0.860 0.742 0.000 0.005 0.000 3/33600 960.0 0.948 0.851 0.734 0.000 0.005 0.000 3/33600 970.0 0.938 0.843 0.727 0.000 0.005 0.000 3/33600 980.0 0.928 0.834 0.720 0.000 0.005 0.000 3/33600 990.0 0.919 0.826 0.712 0.000 0.005 0.000 3/33600 1000.0 0.910 0.818 0.705 0.000 0.005 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m7105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|