----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:49:04]------------------------- Compiled with OpenMP support (max 32 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 7.404053680024506 0.000000000000000 0.000000000000000 b 0.000000000000000 6.645840039999999 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): *1 Be 0.73938544896063 0.19206382215630 0.90277846115693 9.012 2 Be 0.73938544896063 0.30793617784370 0.40277846115693 9.012 3 Be 0.26061455103937 0.80793617784370 0.09722153884307 9.012 4 Be 0.26061455103937 0.69206382215630 0.59722153884307 9.012 *5 O 0.72025250010475 0.36994225068361 0.23023635478101 15.999 6 O 0.27974749989525 0.86994225068361 0.26976364521899 15.999 7 O 0.27974749989525 0.63005774931639 0.76976364521899 15.999 8 O 0.72025250010475 0.13005774931639 0.73023635478101 15.999 *9 O 0.71533181608447 0.83398944729425 0.28249118871001 15.999 10 O 0.28466818391553 0.33398944729425 0.21750881128999 15.999 11 O 0.28466818391553 0.16601055270575 0.71750881128999 15.999 12 O 0.71533181608447 0.66601055270575 0.78249118871001 15.999 *13 O 0.72054138743559 0.97849804395680 0.99030721620746 15.999 14 O 0.72054138743559 0.52150195604320 0.49030721620746 15.999 15 O 0.27945861256441 0.02150195604320 0.00969278379254 15.999 16 O 0.27945861256441 0.47849804395680 0.50969278379254 15.999 *17 O 0.06806121084272 0.80795910249229 0.56173317339560 15.999 18 O 0.93193878915728 0.30795910249229 0.93826682660440 15.999 19 O 0.93193878915728 0.19204089750771 0.43826682660440 15.999 20 O 0.06806121084272 0.69204089750771 0.06173317339560 15.999 *21 O 0.55840504571933 0.18032846983002 0.43466043476071 15.999 22 O 0.44159495428068 0.68032846983002 0.06533956523929 15.999 23 O 0.44159495428068 0.81967153016998 0.56533956523929 15.999 24 O 0.55840504571933 0.31967153016998 0.93466043476071 15.999 *25 Ba 0.97922567802672 0.41783754105488 0.67320838090679 137.327 26 Ba 0.02077432197328 0.91783754105488 0.82679161909321 137.327 27 Ba 0.02077432197328 0.58216245894512 0.32679161909321 137.327 28 Ba 0.97922567802672 0.08216245894512 0.17320838090679 137.327 *29 Nd 0.47828044022447 0.58345008539990 0.32418201022947 144.242 30 Nd 0.52171955977553 0.08345008539990 0.17581798977053 144.242 31 Nd 0.52171955977553 0.41654991460010 0.67581798977053 144.242 32 Nd 0.47828044022447 0.91654991460010 0.82418201022947 144.242 *33 Nd 0.74367186601425 0.90639874970880 0.52250411025255 144.242 34 Nd 0.25632813398575 0.40639874970880 0.97749588974745 144.242 35 Nd 0.25632813398575 0.09360125029120 0.47749588974745 144.242 36 Nd 0.74367186601425 0.59360125029120 0.02250411025255 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.404053680024506 0.000000000000000 0.000000000000000 b 0.000000000000000 6.645840039999999 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): *1 Be 0.73938544896063 0.19206382215630 0.90277846115693 9.012 > 1 2 Be 0.73938544896063 0.30793617784370 0.40277846115693 9.012 > 2 3 Be 0.26061455103937 0.80793617784370 0.09722153884307 9.012 > 3 4 Be 0.26061455103937 0.69206382215630 0.59722153884307 9.012 > 4 *5 O 0.72025250010475 0.36994225068361 0.23023635478101 15.999 > 5 6 O 0.27974749989525 0.86994225068361 0.26976364521899 15.999 > 6 7 O 0.27974749989525 0.63005774931639 0.76976364521899 15.999 > 7 8 O 0.72025250010475 0.13005774931639 0.73023635478101 15.999 > 8 *9 O 0.71533181608447 0.83398944729425 0.28249118871001 15.999 > 9 10 O 0.28466818391553 0.33398944729425 0.21750881128999 15.999 > 10 11 O 0.28466818391553 0.16601055270575 0.71750881128999 15.999 > 11 12 O 0.71533181608447 0.66601055270575 0.78249118871001 15.999 > 12 *13 O 0.72054138743559 0.97849804395680 0.99030721620746 15.999 > 13 14 O 0.72054138743559 0.52150195604320 0.49030721620746 15.999 > 14 15 O 0.27945861256441 0.02150195604320 0.00969278379254 15.999 > 15 16 O 0.27945861256441 0.47849804395680 0.50969278379254 15.999 > 16 *17 O 0.06806121084272 0.80795910249229 0.56173317339560 15.999 > 17 18 O 0.93193878915728 0.30795910249229 0.93826682660440 15.999 > 18 19 O 0.93193878915728 0.19204089750771 0.43826682660440 15.999 > 19 20 O 0.06806121084272 0.69204089750771 0.06173317339560 15.999 > 20 *21 O 0.55840504571933 0.18032846983002 0.43466043476071 15.999 > 21 22 O 0.44159495428068 0.68032846983002 0.06533956523929 15.999 > 22 23 O 0.44159495428068 0.81967153016998 0.56533956523929 15.999 > 23 24 O 0.55840504571933 0.31967153016998 0.93466043476071 15.999 > 24 *25 Ba 0.97922567802672 0.41783754105488 0.67320838090679 137.327 > 25 26 Ba 0.02077432197328 0.91783754105488 0.82679161909321 137.327 > 26 27 Ba 0.02077432197328 0.58216245894512 0.32679161909321 137.327 > 27 28 Ba 0.97922567802672 0.08216245894512 0.17320838090679 137.327 > 28 *29 Nd 0.47828044022447 0.58345008539990 0.32418201022947 144.242 > 29 30 Nd 0.52171955977553 0.08345008539990 0.17581798977053 144.242 > 30 31 Nd 0.52171955977553 0.41654991460010 0.67581798977053 144.242 > 31 32 Nd 0.47828044022447 0.91654991460010 0.82418201022947 144.242 > 32 *33 Nd 0.74367186601425 0.90639874970880 0.52250411025255 144.242 > 33 34 Nd 0.25632813398575 0.40639874970880 0.97749588974745 144.242 > 34 35 Nd 0.25632813398575 0.09360125029120 0.47749588974745 144.242 > 35 36 Nd 0.74367186601425 0.59360125029120 0.02250411025255 144.242 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.808107360049013 0.000000000000000 0.000000000000000 b 0.000000000000000 13.291680079999997 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): *1 Be 0.36969272448032 0.09603191107815 0.90277846115693 9.012 > 1 2 Be 0.86969272448032 0.09603191107815 0.90277846115693 9.012 > 1 3 Be 0.36969272448032 0.59603191107815 0.90277846115693 9.012 > 1 4 Be 0.86969272448032 0.59603191107815 0.90277846115693 9.012 > 1 5 Be 0.36969272448032 0.15396808892185 0.40277846115693 9.012 > 2 6 Be 0.86969272448032 0.15396808892185 0.40277846115693 9.012 > 2 7 Be 0.36969272448032 0.65396808892185 0.40277846115693 9.012 > 2 8 Be 0.86969272448032 0.65396808892185 0.40277846115693 9.012 > 2 9 Be 0.13030727551968 0.40396808892185 0.09722153884307 9.012 > 3 10 Be 0.63030727551968 0.40396808892185 0.09722153884307 9.012 > 3 11 Be 0.13030727551968 0.90396808892185 0.09722153884307 9.012 > 3 12 Be 0.63030727551968 0.90396808892185 0.09722153884307 9.012 > 3 13 Be 0.13030727551968 0.34603191107815 0.59722153884307 9.012 > 4 14 Be 0.63030727551968 0.34603191107815 0.59722153884307 9.012 > 4 15 Be 0.13030727551968 0.84603191107815 0.59722153884307 9.012 > 4 16 Be 0.63030727551968 0.84603191107815 0.59722153884307 9.012 > 4 *17 O 0.36012625005237 0.18497112534181 0.23023635478101 15.999 > 5 18 O 0.86012625005237 0.18497112534181 0.23023635478101 15.999 > 5 19 O 0.36012625005237 0.68497112534181 0.23023635478101 15.999 > 5 20 O 0.86012625005237 0.68497112534181 0.23023635478101 15.999 > 5 21 O 0.13987374994763 0.43497112534181 0.26976364521899 15.999 > 6 22 O 0.63987374994763 0.43497112534181 0.26976364521899 15.999 > 6 23 O 0.13987374994763 0.93497112534181 0.26976364521899 15.999 > 6 24 O 0.63987374994763 0.93497112534181 0.26976364521899 15.999 > 6 25 O 0.13987374994763 0.31502887465819 0.76976364521899 15.999 > 7 26 O 0.63987374994763 0.31502887465819 0.76976364521899 15.999 > 7 27 O 0.13987374994763 0.81502887465819 0.76976364521899 15.999 > 7 28 O 0.63987374994763 0.81502887465819 0.76976364521899 15.999 > 7 29 O 0.36012625005237 0.06502887465819 0.73023635478101 15.999 > 8 30 O 0.86012625005237 0.06502887465819 0.73023635478101 15.999 > 8 31 O 0.36012625005237 0.56502887465819 0.73023635478101 15.999 > 8 32 O 0.86012625005237 0.56502887465819 0.73023635478101 15.999 > 8 *33 O 0.35766590804223 0.41699472364712 0.28249118871001 15.999 > 9 34 O 0.85766590804223 0.41699472364712 0.28249118871001 15.999 > 9 35 O 0.35766590804223 0.91699472364712 0.28249118871001 15.999 > 9 36 O 0.85766590804223 0.91699472364712 0.28249118871001 15.999 > 9 37 O 0.14233409195777 0.16699472364712 0.21750881128999 15.999 > 10 38 O 0.64233409195777 0.16699472364712 0.21750881128999 15.999 > 10 39 O 0.14233409195777 0.66699472364712 0.21750881128999 15.999 > 10 40 O 0.64233409195777 0.66699472364712 0.21750881128999 15.999 > 10 41 O 0.14233409195777 0.08300527635288 0.71750881128999 15.999 > 11 42 O 0.64233409195777 0.08300527635288 0.71750881128999 15.999 > 11 43 O 0.14233409195777 0.58300527635288 0.71750881128999 15.999 > 11 44 O 0.64233409195777 0.58300527635288 0.71750881128999 15.999 > 11 45 O 0.35766590804223 0.33300527635288 0.78249118871001 15.999 > 12 46 O 0.85766590804223 0.33300527635288 0.78249118871001 15.999 > 12 47 O 0.35766590804223 0.83300527635288 0.78249118871001 15.999 > 12 48 O 0.85766590804223 0.83300527635288 0.78249118871001 15.999 > 12 *49 O 0.36027069371779 0.48924902197840 0.99030721620746 15.999 > 13 50 O 0.86027069371779 0.48924902197840 0.99030721620746 15.999 > 13 51 O 0.36027069371779 0.98924902197840 0.99030721620746 15.999 > 13 52 O 0.86027069371779 0.98924902197840 0.99030721620746 15.999 > 13 53 O 0.36027069371779 0.26075097802160 0.49030721620746 15.999 > 14 54 O 0.86027069371779 0.26075097802160 0.49030721620746 15.999 > 14 55 O 0.36027069371779 0.76075097802160 0.49030721620746 15.999 > 14 56 O 0.86027069371779 0.76075097802160 0.49030721620746 15.999 > 14 57 O 0.13972930628221 0.01075097802160 0.00969278379254 15.999 > 15 58 O 0.63972930628221 0.01075097802160 0.00969278379254 15.999 > 15 59 O 0.13972930628221 0.51075097802160 0.00969278379254 15.999 > 15 60 O 0.63972930628221 0.51075097802160 0.00969278379254 15.999 > 15 61 O 0.13972930628221 0.23924902197840 0.50969278379254 15.999 > 16 62 O 0.63972930628221 0.23924902197840 0.50969278379254 15.999 > 16 63 O 0.13972930628221 0.73924902197840 0.50969278379254 15.999 > 16 64 O 0.63972930628221 0.73924902197840 0.50969278379254 15.999 > 16 *65 O 0.03403060542136 0.40397955124614 0.56173317339560 15.999 > 17 66 O 0.53403060542136 0.40397955124614 0.56173317339560 15.999 > 17 67 O 0.03403060542136 0.90397955124615 0.56173317339560 15.999 > 17 68 O 0.53403060542136 0.90397955124615 0.56173317339560 15.999 > 17 69 O 0.46596939457864 0.15397955124615 0.93826682660440 15.999 > 18 70 O 0.96596939457864 0.15397955124615 0.93826682660440 15.999 > 18 71 O 0.46596939457864 0.65397955124615 0.93826682660440 15.999 > 18 72 O 0.96596939457864 0.65397955124615 0.93826682660440 15.999 > 18 73 O 0.46596939457864 0.09602044875386 0.43826682660440 15.999 > 19 74 O 0.96596939457864 0.09602044875386 0.43826682660440 15.999 > 19 75 O 0.46596939457864 0.59602044875385 0.43826682660440 15.999 > 19 76 O 0.96596939457864 0.59602044875385 0.43826682660440 15.999 > 19 77 O 0.03403060542136 0.34602044875386 0.06173317339560 15.999 > 20 78 O 0.53403060542136 0.34602044875386 0.06173317339560 15.999 > 20 79 O 0.03403060542136 0.84602044875385 0.06173317339560 15.999 > 20 80 O 0.53403060542136 0.84602044875385 0.06173317339560 15.999 > 20 *81 O 0.27920252285966 0.09016423491501 0.43466043476071 15.999 > 21 82 O 0.77920252285966 0.09016423491501 0.43466043476071 15.999 > 21 83 O 0.27920252285966 0.59016423491501 0.43466043476071 15.999 > 21 84 O 0.77920252285966 0.59016423491501 0.43466043476071 15.999 > 21 85 O 0.22079747714034 0.34016423491501 0.06533956523929 15.999 > 22 86 O 0.72079747714034 0.34016423491501 0.06533956523929 15.999 > 22 87 O 0.22079747714034 0.84016423491501 0.06533956523929 15.999 > 22 88 O 0.72079747714034 0.84016423491501 0.06533956523929 15.999 > 22 89 O 0.22079747714034 0.40983576508499 0.56533956523929 15.999 > 23 90 O 0.72079747714034 0.40983576508499 0.56533956523929 15.999 > 23 91 O 0.22079747714034 0.90983576508499 0.56533956523929 15.999 > 23 92 O 0.72079747714034 0.90983576508499 0.56533956523929 15.999 > 23 93 O 0.27920252285966 0.15983576508499 0.93466043476071 15.999 > 24 94 O 0.77920252285966 0.15983576508499 0.93466043476071 15.999 > 24 95 O 0.27920252285966 0.65983576508499 0.93466043476071 15.999 > 24 96 O 0.77920252285966 0.65983576508499 0.93466043476071 15.999 > 24 *97 Ba 0.48961283901336 0.20891877052744 0.67320838090679 137.327 > 25 98 Ba 0.98961283901336 0.20891877052744 0.67320838090679 137.327 > 25 99 Ba 0.48961283901336 0.70891877052744 0.67320838090679 137.327 > 25 100 Ba 0.98961283901336 0.70891877052744 0.67320838090679 137.327 > 25 101 Ba 0.01038716098664 0.45891877052744 0.82679161909321 137.327 > 26 102 Ba 0.51038716098664 0.45891877052744 0.82679161909321 137.327 > 26 103 Ba 0.01038716098664 0.95891877052744 0.82679161909321 137.327 > 26 104 Ba 0.51038716098664 0.95891877052744 0.82679161909321 137.327 > 26 105 Ba 0.01038716098664 0.29108122947256 0.32679161909321 137.327 > 27 106 Ba 0.51038716098664 0.29108122947256 0.32679161909321 137.327 > 27 107 Ba 0.01038716098664 0.79108122947256 0.32679161909321 137.327 > 27 108 Ba 0.51038716098664 0.79108122947256 0.32679161909321 137.327 > 27 109 Ba 0.48961283901336 0.04108122947256 0.17320838090679 137.327 > 28 110 Ba 0.98961283901336 0.04108122947256 0.17320838090679 137.327 > 28 111 Ba 0.48961283901336 0.54108122947256 0.17320838090679 137.327 > 28 112 Ba 0.98961283901336 0.54108122947256 0.17320838090679 137.327 > 28 *113 Nd 0.23914022011224 0.29172504269995 0.32418201022947 144.242 > 29 114 Nd 0.73914022011224 0.29172504269995 0.32418201022947 144.242 > 29 115 Nd 0.23914022011224 0.79172504269995 0.32418201022947 144.242 > 29 116 Nd 0.73914022011224 0.79172504269995 0.32418201022947 144.242 > 29 117 Nd 0.26085977988776 0.04172504269995 0.17581798977053 144.242 > 30 118 Nd 0.76085977988776 0.04172504269995 0.17581798977053 144.242 > 30 119 Nd 0.26085977988776 0.54172504269995 0.17581798977053 144.242 > 30 120 Nd 0.76085977988776 0.54172504269995 0.17581798977053 144.242 > 30 121 Nd 0.26085977988776 0.20827495730005 0.67581798977053 144.242 > 31 122 Nd 0.76085977988776 0.20827495730005 0.67581798977053 144.242 > 31 123 Nd 0.26085977988776 0.70827495730005 0.67581798977053 144.242 > 31 124 Nd 0.76085977988776 0.70827495730005 0.67581798977053 144.242 > 31 125 Nd 0.23914022011224 0.45827495730005 0.82418201022947 144.242 > 32 126 Nd 0.73914022011224 0.45827495730005 0.82418201022947 144.242 > 32 127 Nd 0.23914022011224 0.95827495730005 0.82418201022947 144.242 > 32 128 Nd 0.73914022011224 0.95827495730005 0.82418201022947 144.242 > 32 *129 Nd 0.37183593300712 0.45319937485440 0.52250411025255 144.242 > 33 130 Nd 0.87183593300712 0.45319937485440 0.52250411025255 144.242 > 33 131 Nd 0.37183593300712 0.95319937485440 0.52250411025255 144.242 > 33 132 Nd 0.87183593300712 0.95319937485440 0.52250411025255 144.242 > 33 133 Nd 0.12816406699288 0.20319937485440 0.97749588974745 144.242 > 34 134 Nd 0.62816406699288 0.20319937485440 0.97749588974745 144.242 > 34 135 Nd 0.12816406699288 0.70319937485440 0.97749588974745 144.242 > 34 136 Nd 0.62816406699288 0.70319937485440 0.97749588974745 144.242 > 34 137 Nd 0.12816406699288 0.04680062514560 0.47749588974745 144.242 > 35 138 Nd 0.62816406699288 0.04680062514560 0.47749588974745 144.242 > 35 139 Nd 0.12816406699288 0.54680062514560 0.47749588974745 144.242 > 35 140 Nd 0.62816406699288 0.54680062514560 0.47749588974745 144.242 > 35 141 Nd 0.37183593300712 0.29680062514560 0.02250411025255 144.242 > 36 142 Nd 0.87183593300712 0.29680062514560 0.02250411025255 144.242 > 36 143 Nd 0.37183593300712 0.79680062514560 0.02250411025255 144.242 > 36 144 Nd 0.87183593300712 0.79680062514560 0.02250411025255 144.242 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7889544 0.0000000 0.0089311 0.0000000 4.6371858 0.0000000 0.0089309 0.0000000 4.7449003 -------------------------- Born effective charges -------------------------- 1 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 2 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 3 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 4 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 5 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 6 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 7 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 8 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 9 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 10 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 11 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 12 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 13 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 14 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 15 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 16 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 17 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 18 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 19 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 20 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 21 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 22 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 23 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 24 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 25 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 26 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 27 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 28 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 29 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 30 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 31 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 32 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 33 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 34 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 35 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 36 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.264 Solver_block: 200 / 1120 - Time: 2.144 Solver_block: 300 / 1120 - Time: 2.146 Solver_block: 400 / 1120 - Time: 2.149 Solver_block: 500 / 1120 - Time: 2.146 Solver_block: 600 / 1120 - Time: 2.147 Solver_block: 700 / 1120 - Time: 2.148 Solver_block: 800 / 1120 - Time: 2.148 Solver_block: 900 / 1120 - Time: 2.145 Solver_block: 1000 / 1120 - Time: 2.148 Solver_block: 1100 / 1120 - Time: 2.147 Solver_block: 1120 / 1120 - Time: 0.577 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.959 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 03:50:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:50:37]------------------------- Compiled with OpenMP support (max 32 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 7.404053680024506 0.000000000000000 0.000000000000000 b 0.000000000000000 6.645840039999999 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): 1 Be 0.73938544896063 0.19206382215630 0.90277846115693 9.012 2 Be 0.73938544896063 0.30793617784370 0.40277846115693 9.012 3 Be 0.26061455103937 0.80793617784370 0.09722153884307 9.012 4 Be 0.26061455103937 0.69206382215630 0.59722153884307 9.012 5 O 0.72025250010475 0.36994225068361 0.23023635478101 15.999 6 O 0.27974749989525 0.86994225068361 0.26976364521899 15.999 7 O 0.27974749989525 0.63005774931639 0.76976364521899 15.999 8 O 0.72025250010475 0.13005774931639 0.73023635478101 15.999 9 O 0.71533181608447 0.83398944729425 0.28249118871001 15.999 10 O 0.28466818391553 0.33398944729425 0.21750881128999 15.999 11 O 0.28466818391553 0.16601055270575 0.71750881128999 15.999 12 O 0.71533181608447 0.66601055270575 0.78249118871001 15.999 13 O 0.72054138743559 0.97849804395680 0.99030721620746 15.999 14 O 0.72054138743559 0.52150195604320 0.49030721620746 15.999 15 O 0.27945861256441 0.02150195604320 0.00969278379254 15.999 16 O 0.27945861256441 0.47849804395680 0.50969278379254 15.999 17 O 0.06806121084272 0.80795910249229 0.56173317339560 15.999 18 O 0.93193878915728 0.30795910249229 0.93826682660440 15.999 19 O 0.93193878915728 0.19204089750771 0.43826682660440 15.999 20 O 0.06806121084272 0.69204089750771 0.06173317339560 15.999 21 O 0.55840504571933 0.18032846983002 0.43466043476071 15.999 22 O 0.44159495428068 0.68032846983002 0.06533956523929 15.999 23 O 0.44159495428068 0.81967153016998 0.56533956523929 15.999 24 O 0.55840504571933 0.31967153016998 0.93466043476071 15.999 25 Ba 0.97922567802672 0.41783754105488 0.67320838090679 137.327 26 Ba 0.02077432197328 0.91783754105488 0.82679161909321 137.327 27 Ba 0.02077432197328 0.58216245894512 0.32679161909321 137.327 28 Ba 0.97922567802672 0.08216245894512 0.17320838090679 137.327 29 Nd 0.47828044022447 0.58345008539990 0.32418201022947 144.242 30 Nd 0.52171955977553 0.08345008539990 0.17581798977053 144.242 31 Nd 0.52171955977553 0.41654991460010 0.67581798977053 144.242 32 Nd 0.47828044022447 0.91654991460010 0.82418201022947 144.242 33 Nd 0.74367186601425 0.90639874970880 0.52250411025255 144.242 34 Nd 0.25632813398575 0.40639874970880 0.97749588974745 144.242 35 Nd 0.25632813398575 0.09360125029120 0.47749588974745 144.242 36 Nd 0.74367186601425 0.59360125029120 0.02250411025255 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.808107360049013 0.000000000000000 0.000000000000000 b 0.000000000000000 13.291680079999997 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): 1 Be 0.36969272448032 0.09603191107815 0.90277846115693 9.012 > 1 2 Be 0.86969272448032 0.09603191107815 0.90277846115693 9.012 > 1 3 Be 0.36969272448032 0.59603191107815 0.90277846115693 9.012 > 1 4 Be 0.86969272448032 0.59603191107815 0.90277846115693 9.012 > 1 5 Be 0.36969272448032 0.15396808892185 0.40277846115693 9.012 > 5 6 Be 0.86969272448032 0.15396808892185 0.40277846115693 9.012 > 5 7 Be 0.36969272448032 0.65396808892185 0.40277846115693 9.012 > 5 8 Be 0.86969272448032 0.65396808892185 0.40277846115693 9.012 > 5 9 Be 0.13030727551968 0.40396808892185 0.09722153884307 9.012 > 9 10 Be 0.63030727551968 0.40396808892185 0.09722153884307 9.012 > 9 11 Be 0.13030727551968 0.90396808892185 0.09722153884307 9.012 > 9 12 Be 0.63030727551968 0.90396808892185 0.09722153884307 9.012 > 9 13 Be 0.13030727551968 0.34603191107815 0.59722153884307 9.012 > 13 14 Be 0.63030727551968 0.34603191107815 0.59722153884307 9.012 > 13 15 Be 0.13030727551968 0.84603191107815 0.59722153884307 9.012 > 13 16 Be 0.63030727551968 0.84603191107815 0.59722153884307 9.012 > 13 17 O 0.36012625005237 0.18497112534181 0.23023635478101 15.999 > 17 18 O 0.86012625005237 0.18497112534181 0.23023635478101 15.999 > 17 19 O 0.36012625005237 0.68497112534181 0.23023635478101 15.999 > 17 20 O 0.86012625005237 0.68497112534181 0.23023635478101 15.999 > 17 21 O 0.13987374994763 0.43497112534181 0.26976364521899 15.999 > 21 22 O 0.63987374994763 0.43497112534181 0.26976364521899 15.999 > 21 23 O 0.13987374994763 0.93497112534181 0.26976364521899 15.999 > 21 24 O 0.63987374994763 0.93497112534181 0.26976364521899 15.999 > 21 25 O 0.13987374994763 0.31502887465819 0.76976364521899 15.999 > 25 26 O 0.63987374994763 0.31502887465819 0.76976364521899 15.999 > 25 27 O 0.13987374994763 0.81502887465819 0.76976364521899 15.999 > 25 28 O 0.63987374994763 0.81502887465819 0.76976364521899 15.999 > 25 29 O 0.36012625005237 0.06502887465819 0.73023635478101 15.999 > 29 30 O 0.86012625005237 0.06502887465819 0.73023635478101 15.999 > 29 31 O 0.36012625005237 0.56502887465819 0.73023635478101 15.999 > 29 32 O 0.86012625005237 0.56502887465819 0.73023635478101 15.999 > 29 33 O 0.35766590804223 0.41699472364712 0.28249118871001 15.999 > 33 34 O 0.85766590804223 0.41699472364712 0.28249118871001 15.999 > 33 35 O 0.35766590804223 0.91699472364712 0.28249118871001 15.999 > 33 36 O 0.85766590804223 0.91699472364712 0.28249118871001 15.999 > 33 37 O 0.14233409195777 0.16699472364712 0.21750881128999 15.999 > 37 38 O 0.64233409195777 0.16699472364712 0.21750881128999 15.999 > 37 39 O 0.14233409195777 0.66699472364712 0.21750881128999 15.999 > 37 40 O 0.64233409195777 0.66699472364712 0.21750881128999 15.999 > 37 41 O 0.14233409195777 0.08300527635288 0.71750881128999 15.999 > 41 42 O 0.64233409195777 0.08300527635288 0.71750881128999 15.999 > 41 43 O 0.14233409195777 0.58300527635288 0.71750881128999 15.999 > 41 44 O 0.64233409195777 0.58300527635288 0.71750881128999 15.999 > 41 45 O 0.35766590804223 0.33300527635288 0.78249118871001 15.999 > 45 46 O 0.85766590804223 0.33300527635288 0.78249118871001 15.999 > 45 47 O 0.35766590804223 0.83300527635288 0.78249118871001 15.999 > 45 48 O 0.85766590804223 0.83300527635288 0.78249118871001 15.999 > 45 49 O 0.36027069371779 0.48924902197840 0.99030721620746 15.999 > 49 50 O 0.86027069371779 0.48924902197840 0.99030721620746 15.999 > 49 51 O 0.36027069371779 0.98924902197840 0.99030721620746 15.999 > 49 52 O 0.86027069371779 0.98924902197840 0.99030721620746 15.999 > 49 53 O 0.36027069371779 0.26075097802160 0.49030721620746 15.999 > 53 54 O 0.86027069371779 0.26075097802160 0.49030721620746 15.999 > 53 55 O 0.36027069371779 0.76075097802160 0.49030721620746 15.999 > 53 56 O 0.86027069371779 0.76075097802160 0.49030721620746 15.999 > 53 57 O 0.13972930628221 0.01075097802160 0.00969278379254 15.999 > 57 58 O 0.63972930628221 0.01075097802160 0.00969278379254 15.999 > 57 59 O 0.13972930628221 0.51075097802160 0.00969278379254 15.999 > 57 60 O 0.63972930628221 0.51075097802160 0.00969278379254 15.999 > 57 61 O 0.13972930628221 0.23924902197840 0.50969278379254 15.999 > 61 62 O 0.63972930628221 0.23924902197840 0.50969278379254 15.999 > 61 63 O 0.13972930628221 0.73924902197840 0.50969278379254 15.999 > 61 64 O 0.63972930628221 0.73924902197840 0.50969278379254 15.999 > 61 65 O 0.03403060542136 0.40397955124614 0.56173317339560 15.999 > 65 66 O 0.53403060542136 0.40397955124614 0.56173317339560 15.999 > 65 67 O 0.03403060542136 0.90397955124615 0.56173317339560 15.999 > 65 68 O 0.53403060542136 0.90397955124615 0.56173317339560 15.999 > 65 69 O 0.46596939457864 0.15397955124615 0.93826682660440 15.999 > 69 70 O 0.96596939457864 0.15397955124615 0.93826682660440 15.999 > 69 71 O 0.46596939457864 0.65397955124615 0.93826682660440 15.999 > 69 72 O 0.96596939457864 0.65397955124615 0.93826682660440 15.999 > 69 73 O 0.46596939457864 0.09602044875386 0.43826682660440 15.999 > 73 74 O 0.96596939457864 0.09602044875386 0.43826682660440 15.999 > 73 75 O 0.46596939457864 0.59602044875385 0.43826682660440 15.999 > 73 76 O 0.96596939457864 0.59602044875385 0.43826682660440 15.999 > 73 77 O 0.03403060542136 0.34602044875386 0.06173317339560 15.999 > 77 78 O 0.53403060542136 0.34602044875386 0.06173317339560 15.999 > 77 79 O 0.03403060542136 0.84602044875385 0.06173317339560 15.999 > 77 80 O 0.53403060542136 0.84602044875385 0.06173317339560 15.999 > 77 81 O 0.27920252285966 0.09016423491501 0.43466043476071 15.999 > 81 82 O 0.77920252285966 0.09016423491501 0.43466043476071 15.999 > 81 83 O 0.27920252285966 0.59016423491501 0.43466043476071 15.999 > 81 84 O 0.77920252285966 0.59016423491501 0.43466043476071 15.999 > 81 85 O 0.22079747714034 0.34016423491501 0.06533956523929 15.999 > 85 86 O 0.72079747714034 0.34016423491501 0.06533956523929 15.999 > 85 87 O 0.22079747714034 0.84016423491501 0.06533956523929 15.999 > 85 88 O 0.72079747714034 0.84016423491501 0.06533956523929 15.999 > 85 89 O 0.22079747714034 0.40983576508499 0.56533956523929 15.999 > 89 90 O 0.72079747714034 0.40983576508499 0.56533956523929 15.999 > 89 91 O 0.22079747714034 0.90983576508499 0.56533956523929 15.999 > 89 92 O 0.72079747714034 0.90983576508499 0.56533956523929 15.999 > 89 93 O 0.27920252285966 0.15983576508499 0.93466043476071 15.999 > 93 94 O 0.77920252285966 0.15983576508499 0.93466043476071 15.999 > 93 95 O 0.27920252285966 0.65983576508499 0.93466043476071 15.999 > 93 96 O 0.77920252285966 0.65983576508499 0.93466043476071 15.999 > 93 97 Ba 0.48961283901336 0.20891877052744 0.67320838090679 137.327 > 97 98 Ba 0.98961283901336 0.20891877052744 0.67320838090679 137.327 > 97 99 Ba 0.48961283901336 0.70891877052744 0.67320838090679 137.327 > 97 100 Ba 0.98961283901336 0.70891877052744 0.67320838090679 137.327 > 97 101 Ba 0.01038716098664 0.45891877052744 0.82679161909321 137.327 > 101 102 Ba 0.51038716098664 0.45891877052744 0.82679161909321 137.327 > 101 103 Ba 0.01038716098664 0.95891877052744 0.82679161909321 137.327 > 101 104 Ba 0.51038716098664 0.95891877052744 0.82679161909321 137.327 > 101 105 Ba 0.01038716098664 0.29108122947256 0.32679161909321 137.327 > 105 106 Ba 0.51038716098664 0.29108122947256 0.32679161909321 137.327 > 105 107 Ba 0.01038716098664 0.79108122947256 0.32679161909321 137.327 > 105 108 Ba 0.51038716098664 0.79108122947256 0.32679161909321 137.327 > 105 109 Ba 0.48961283901336 0.04108122947256 0.17320838090679 137.327 > 109 110 Ba 0.98961283901336 0.04108122947256 0.17320838090679 137.327 > 109 111 Ba 0.48961283901336 0.54108122947256 0.17320838090679 137.327 > 109 112 Ba 0.98961283901336 0.54108122947256 0.17320838090679 137.327 > 109 113 Nd 0.23914022011224 0.29172504269995 0.32418201022947 144.242 > 113 114 Nd 0.73914022011224 0.29172504269995 0.32418201022947 144.242 > 113 115 Nd 0.23914022011224 0.79172504269995 0.32418201022947 144.242 > 113 116 Nd 0.73914022011224 0.79172504269995 0.32418201022947 144.242 > 113 117 Nd 0.26085977988776 0.04172504269995 0.17581798977053 144.242 > 117 118 Nd 0.76085977988776 0.04172504269995 0.17581798977053 144.242 > 117 119 Nd 0.26085977988776 0.54172504269995 0.17581798977053 144.242 > 117 120 Nd 0.76085977988776 0.54172504269995 0.17581798977053 144.242 > 117 121 Nd 0.26085977988776 0.20827495730005 0.67581798977053 144.242 > 121 122 Nd 0.76085977988776 0.20827495730005 0.67581798977053 144.242 > 121 123 Nd 0.26085977988776 0.70827495730005 0.67581798977053 144.242 > 121 124 Nd 0.76085977988776 0.70827495730005 0.67581798977053 144.242 > 121 125 Nd 0.23914022011224 0.45827495730005 0.82418201022947 144.242 > 125 126 Nd 0.73914022011224 0.45827495730005 0.82418201022947 144.242 > 125 127 Nd 0.23914022011224 0.95827495730005 0.82418201022947 144.242 > 125 128 Nd 0.73914022011224 0.95827495730005 0.82418201022947 144.242 > 125 129 Nd 0.37183593300712 0.45319937485440 0.52250411025255 144.242 > 129 130 Nd 0.87183593300712 0.45319937485440 0.52250411025255 144.242 > 129 131 Nd 0.37183593300712 0.95319937485440 0.52250411025255 144.242 > 129 132 Nd 0.87183593300712 0.95319937485440 0.52250411025255 144.242 > 129 133 Nd 0.12816406699288 0.20319937485440 0.97749588974745 144.242 > 133 134 Nd 0.62816406699288 0.20319937485440 0.97749588974745 144.242 > 133 135 Nd 0.12816406699288 0.70319937485440 0.97749588974745 144.242 > 133 136 Nd 0.62816406699288 0.70319937485440 0.97749588974745 144.242 > 133 137 Nd 0.12816406699288 0.04680062514560 0.47749588974745 144.242 > 137 138 Nd 0.62816406699288 0.04680062514560 0.47749588974745 144.242 > 137 139 Nd 0.12816406699288 0.54680062514560 0.47749588974745 144.242 > 137 140 Nd 0.62816406699288 0.54680062514560 0.47749588974745 144.242 > 137 141 Nd 0.37183593300712 0.29680062514560 0.02250411025255 144.242 > 141 142 Nd 0.87183593300712 0.29680062514560 0.02250411025255 144.242 > 141 143 Nd 0.37183593300712 0.79680062514560 0.02250411025255 144.242 > 141 144 Nd 0.87183593300712 0.79680062514560 0.02250411025255 144.242 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7889544 0.0000000 0.0089311 0.0000000 4.6371858 0.0000000 0.0089309 0.0000000 4.7449003 -------------------------- Born effective charges -------------------------- 1 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 2 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 3 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 4 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 5 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 6 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 7 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 8 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 9 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 10 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 11 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 12 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 13 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 14 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 15 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 16 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 17 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 18 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 19 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 20 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 21 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 22 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 23 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 24 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 25 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 26 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 27 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 28 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 29 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 30 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 31 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 32 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 33 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 34 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 35 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 36 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 ---------------------------------------------------------------------------- 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] Computing fc3[ 129, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 03:51:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:51:46]------------------------- Compiled with OpenMP support (max 32 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 7.404053680024506 0.000000000000000 0.000000000000000 b 0.000000000000000 6.645840039999999 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): 1 Be 0.73938544896063 0.19206382215630 0.90277846115693 9.012 2 Be 0.73938544896063 0.30793617784370 0.40277846115693 9.012 3 Be 0.26061455103937 0.80793617784370 0.09722153884307 9.012 4 Be 0.26061455103937 0.69206382215630 0.59722153884307 9.012 5 O 0.72025250010475 0.36994225068361 0.23023635478101 15.999 6 O 0.27974749989525 0.86994225068361 0.26976364521899 15.999 7 O 0.27974749989525 0.63005774931639 0.76976364521899 15.999 8 O 0.72025250010475 0.13005774931639 0.73023635478101 15.999 9 O 0.71533181608447 0.83398944729425 0.28249118871001 15.999 10 O 0.28466818391553 0.33398944729425 0.21750881128999 15.999 11 O 0.28466818391553 0.16601055270575 0.71750881128999 15.999 12 O 0.71533181608447 0.66601055270575 0.78249118871001 15.999 13 O 0.72054138743559 0.97849804395680 0.99030721620746 15.999 14 O 0.72054138743559 0.52150195604320 0.49030721620746 15.999 15 O 0.27945861256441 0.02150195604320 0.00969278379254 15.999 16 O 0.27945861256441 0.47849804395680 0.50969278379254 15.999 17 O 0.06806121084272 0.80795910249229 0.56173317339560 15.999 18 O 0.93193878915728 0.30795910249229 0.93826682660440 15.999 19 O 0.93193878915728 0.19204089750771 0.43826682660440 15.999 20 O 0.06806121084272 0.69204089750771 0.06173317339560 15.999 21 O 0.55840504571933 0.18032846983002 0.43466043476071 15.999 22 O 0.44159495428068 0.68032846983002 0.06533956523929 15.999 23 O 0.44159495428068 0.81967153016998 0.56533956523929 15.999 24 O 0.55840504571933 0.31967153016998 0.93466043476071 15.999 25 Ba 0.97922567802672 0.41783754105488 0.67320838090679 137.327 26 Ba 0.02077432197328 0.91783754105488 0.82679161909321 137.327 27 Ba 0.02077432197328 0.58216245894512 0.32679161909321 137.327 28 Ba 0.97922567802672 0.08216245894512 0.17320838090679 137.327 29 Nd 0.47828044022447 0.58345008539990 0.32418201022947 144.242 30 Nd 0.52171955977553 0.08345008539990 0.17581798977053 144.242 31 Nd 0.52171955977553 0.41654991460010 0.67581798977053 144.242 32 Nd 0.47828044022447 0.91654991460010 0.82418201022947 144.242 33 Nd 0.74367186601425 0.90639874970880 0.52250411025255 144.242 34 Nd 0.25632813398575 0.40639874970880 0.97749588974745 144.242 35 Nd 0.25632813398575 0.09360125029120 0.47749588974745 144.242 36 Nd 0.74367186601425 0.59360125029120 0.02250411025255 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.808107360049013 0.000000000000000 0.000000000000000 b 0.000000000000000 13.291680079999997 0.000000000000000 c -0.127143416016333 0.000000000000000 9.691737552902888 Atomic positions (fractional): 1 Be 0.36969272448032 0.09603191107815 0.90277846115693 9.012 > 1 2 Be 0.86969272448032 0.09603191107815 0.90277846115693 9.012 > 1 3 Be 0.36969272448032 0.59603191107815 0.90277846115693 9.012 > 1 4 Be 0.86969272448032 0.59603191107815 0.90277846115693 9.012 > 1 5 Be 0.36969272448032 0.15396808892185 0.40277846115693 9.012 > 5 6 Be 0.86969272448032 0.15396808892185 0.40277846115693 9.012 > 5 7 Be 0.36969272448032 0.65396808892185 0.40277846115693 9.012 > 5 8 Be 0.86969272448032 0.65396808892185 0.40277846115693 9.012 > 5 9 Be 0.13030727551968 0.40396808892185 0.09722153884307 9.012 > 9 10 Be 0.63030727551968 0.40396808892185 0.09722153884307 9.012 > 9 11 Be 0.13030727551968 0.90396808892185 0.09722153884307 9.012 > 9 12 Be 0.63030727551968 0.90396808892185 0.09722153884307 9.012 > 9 13 Be 0.13030727551968 0.34603191107815 0.59722153884307 9.012 > 13 14 Be 0.63030727551968 0.34603191107815 0.59722153884307 9.012 > 13 15 Be 0.13030727551968 0.84603191107815 0.59722153884307 9.012 > 13 16 Be 0.63030727551968 0.84603191107815 0.59722153884307 9.012 > 13 17 O 0.36012625005237 0.18497112534181 0.23023635478101 15.999 > 17 18 O 0.86012625005237 0.18497112534181 0.23023635478101 15.999 > 17 19 O 0.36012625005237 0.68497112534181 0.23023635478101 15.999 > 17 20 O 0.86012625005237 0.68497112534181 0.23023635478101 15.999 > 17 21 O 0.13987374994763 0.43497112534181 0.26976364521899 15.999 > 21 22 O 0.63987374994763 0.43497112534181 0.26976364521899 15.999 > 21 23 O 0.13987374994763 0.93497112534181 0.26976364521899 15.999 > 21 24 O 0.63987374994763 0.93497112534181 0.26976364521899 15.999 > 21 25 O 0.13987374994763 0.31502887465819 0.76976364521899 15.999 > 25 26 O 0.63987374994763 0.31502887465819 0.76976364521899 15.999 > 25 27 O 0.13987374994763 0.81502887465819 0.76976364521899 15.999 > 25 28 O 0.63987374994763 0.81502887465819 0.76976364521899 15.999 > 25 29 O 0.36012625005237 0.06502887465819 0.73023635478101 15.999 > 29 30 O 0.86012625005237 0.06502887465819 0.73023635478101 15.999 > 29 31 O 0.36012625005237 0.56502887465819 0.73023635478101 15.999 > 29 32 O 0.86012625005237 0.56502887465819 0.73023635478101 15.999 > 29 33 O 0.35766590804223 0.41699472364712 0.28249118871001 15.999 > 33 34 O 0.85766590804223 0.41699472364712 0.28249118871001 15.999 > 33 35 O 0.35766590804223 0.91699472364712 0.28249118871001 15.999 > 33 36 O 0.85766590804223 0.91699472364712 0.28249118871001 15.999 > 33 37 O 0.14233409195777 0.16699472364712 0.21750881128999 15.999 > 37 38 O 0.64233409195777 0.16699472364712 0.21750881128999 15.999 > 37 39 O 0.14233409195777 0.66699472364712 0.21750881128999 15.999 > 37 40 O 0.64233409195777 0.66699472364712 0.21750881128999 15.999 > 37 41 O 0.14233409195777 0.08300527635288 0.71750881128999 15.999 > 41 42 O 0.64233409195777 0.08300527635288 0.71750881128999 15.999 > 41 43 O 0.14233409195777 0.58300527635288 0.71750881128999 15.999 > 41 44 O 0.64233409195777 0.58300527635288 0.71750881128999 15.999 > 41 45 O 0.35766590804223 0.33300527635288 0.78249118871001 15.999 > 45 46 O 0.85766590804223 0.33300527635288 0.78249118871001 15.999 > 45 47 O 0.35766590804223 0.83300527635288 0.78249118871001 15.999 > 45 48 O 0.85766590804223 0.83300527635288 0.78249118871001 15.999 > 45 49 O 0.36027069371779 0.48924902197840 0.99030721620746 15.999 > 49 50 O 0.86027069371779 0.48924902197840 0.99030721620746 15.999 > 49 51 O 0.36027069371779 0.98924902197840 0.99030721620746 15.999 > 49 52 O 0.86027069371779 0.98924902197840 0.99030721620746 15.999 > 49 53 O 0.36027069371779 0.26075097802160 0.49030721620746 15.999 > 53 54 O 0.86027069371779 0.26075097802160 0.49030721620746 15.999 > 53 55 O 0.36027069371779 0.76075097802160 0.49030721620746 15.999 > 53 56 O 0.86027069371779 0.76075097802160 0.49030721620746 15.999 > 53 57 O 0.13972930628221 0.01075097802160 0.00969278379254 15.999 > 57 58 O 0.63972930628221 0.01075097802160 0.00969278379254 15.999 > 57 59 O 0.13972930628221 0.51075097802160 0.00969278379254 15.999 > 57 60 O 0.63972930628221 0.51075097802160 0.00969278379254 15.999 > 57 61 O 0.13972930628221 0.23924902197840 0.50969278379254 15.999 > 61 62 O 0.63972930628221 0.23924902197840 0.50969278379254 15.999 > 61 63 O 0.13972930628221 0.73924902197840 0.50969278379254 15.999 > 61 64 O 0.63972930628221 0.73924902197840 0.50969278379254 15.999 > 61 65 O 0.03403060542136 0.40397955124614 0.56173317339560 15.999 > 65 66 O 0.53403060542136 0.40397955124614 0.56173317339560 15.999 > 65 67 O 0.03403060542136 0.90397955124615 0.56173317339560 15.999 > 65 68 O 0.53403060542136 0.90397955124615 0.56173317339560 15.999 > 65 69 O 0.46596939457864 0.15397955124615 0.93826682660440 15.999 > 69 70 O 0.96596939457864 0.15397955124615 0.93826682660440 15.999 > 69 71 O 0.46596939457864 0.65397955124615 0.93826682660440 15.999 > 69 72 O 0.96596939457864 0.65397955124615 0.93826682660440 15.999 > 69 73 O 0.46596939457864 0.09602044875386 0.43826682660440 15.999 > 73 74 O 0.96596939457864 0.09602044875386 0.43826682660440 15.999 > 73 75 O 0.46596939457864 0.59602044875385 0.43826682660440 15.999 > 73 76 O 0.96596939457864 0.59602044875385 0.43826682660440 15.999 > 73 77 O 0.03403060542136 0.34602044875386 0.06173317339560 15.999 > 77 78 O 0.53403060542136 0.34602044875386 0.06173317339560 15.999 > 77 79 O 0.03403060542136 0.84602044875385 0.06173317339560 15.999 > 77 80 O 0.53403060542136 0.84602044875385 0.06173317339560 15.999 > 77 81 O 0.27920252285966 0.09016423491501 0.43466043476071 15.999 > 81 82 O 0.77920252285966 0.09016423491501 0.43466043476071 15.999 > 81 83 O 0.27920252285966 0.59016423491501 0.43466043476071 15.999 > 81 84 O 0.77920252285966 0.59016423491501 0.43466043476071 15.999 > 81 85 O 0.22079747714034 0.34016423491501 0.06533956523929 15.999 > 85 86 O 0.72079747714034 0.34016423491501 0.06533956523929 15.999 > 85 87 O 0.22079747714034 0.84016423491501 0.06533956523929 15.999 > 85 88 O 0.72079747714034 0.84016423491501 0.06533956523929 15.999 > 85 89 O 0.22079747714034 0.40983576508499 0.56533956523929 15.999 > 89 90 O 0.72079747714034 0.40983576508499 0.56533956523929 15.999 > 89 91 O 0.22079747714034 0.90983576508499 0.56533956523929 15.999 > 89 92 O 0.72079747714034 0.90983576508499 0.56533956523929 15.999 > 89 93 O 0.27920252285966 0.15983576508499 0.93466043476071 15.999 > 93 94 O 0.77920252285966 0.15983576508499 0.93466043476071 15.999 > 93 95 O 0.27920252285966 0.65983576508499 0.93466043476071 15.999 > 93 96 O 0.77920252285966 0.65983576508499 0.93466043476071 15.999 > 93 97 Ba 0.48961283901336 0.20891877052744 0.67320838090679 137.327 > 97 98 Ba 0.98961283901336 0.20891877052744 0.67320838090679 137.327 > 97 99 Ba 0.48961283901336 0.70891877052744 0.67320838090679 137.327 > 97 100 Ba 0.98961283901336 0.70891877052744 0.67320838090679 137.327 > 97 101 Ba 0.01038716098664 0.45891877052744 0.82679161909321 137.327 > 101 102 Ba 0.51038716098664 0.45891877052744 0.82679161909321 137.327 > 101 103 Ba 0.01038716098664 0.95891877052744 0.82679161909321 137.327 > 101 104 Ba 0.51038716098664 0.95891877052744 0.82679161909321 137.327 > 101 105 Ba 0.01038716098664 0.29108122947256 0.32679161909321 137.327 > 105 106 Ba 0.51038716098664 0.29108122947256 0.32679161909321 137.327 > 105 107 Ba 0.01038716098664 0.79108122947256 0.32679161909321 137.327 > 105 108 Ba 0.51038716098664 0.79108122947256 0.32679161909321 137.327 > 105 109 Ba 0.48961283901336 0.04108122947256 0.17320838090679 137.327 > 109 110 Ba 0.98961283901336 0.04108122947256 0.17320838090679 137.327 > 109 111 Ba 0.48961283901336 0.54108122947256 0.17320838090679 137.327 > 109 112 Ba 0.98961283901336 0.54108122947256 0.17320838090679 137.327 > 109 113 Nd 0.23914022011224 0.29172504269995 0.32418201022947 144.242 > 113 114 Nd 0.73914022011224 0.29172504269995 0.32418201022947 144.242 > 113 115 Nd 0.23914022011224 0.79172504269995 0.32418201022947 144.242 > 113 116 Nd 0.73914022011224 0.79172504269995 0.32418201022947 144.242 > 113 117 Nd 0.26085977988776 0.04172504269995 0.17581798977053 144.242 > 117 118 Nd 0.76085977988776 0.04172504269995 0.17581798977053 144.242 > 117 119 Nd 0.26085977988776 0.54172504269995 0.17581798977053 144.242 > 117 120 Nd 0.76085977988776 0.54172504269995 0.17581798977053 144.242 > 117 121 Nd 0.26085977988776 0.20827495730005 0.67581798977053 144.242 > 121 122 Nd 0.76085977988776 0.20827495730005 0.67581798977053 144.242 > 121 123 Nd 0.26085977988776 0.70827495730005 0.67581798977053 144.242 > 121 124 Nd 0.76085977988776 0.70827495730005 0.67581798977053 144.242 > 121 125 Nd 0.23914022011224 0.45827495730005 0.82418201022947 144.242 > 125 126 Nd 0.73914022011224 0.45827495730005 0.82418201022947 144.242 > 125 127 Nd 0.23914022011224 0.95827495730005 0.82418201022947 144.242 > 125 128 Nd 0.73914022011224 0.95827495730005 0.82418201022947 144.242 > 125 129 Nd 0.37183593300712 0.45319937485440 0.52250411025255 144.242 > 129 130 Nd 0.87183593300712 0.45319937485440 0.52250411025255 144.242 > 129 131 Nd 0.37183593300712 0.95319937485440 0.52250411025255 144.242 > 129 132 Nd 0.87183593300712 0.95319937485440 0.52250411025255 144.242 > 129 133 Nd 0.12816406699288 0.20319937485440 0.97749588974745 144.242 > 133 134 Nd 0.62816406699288 0.20319937485440 0.97749588974745 144.242 > 133 135 Nd 0.12816406699288 0.70319937485440 0.97749588974745 144.242 > 133 136 Nd 0.62816406699288 0.70319937485440 0.97749588974745 144.242 > 133 137 Nd 0.12816406699288 0.04680062514560 0.47749588974745 144.242 > 137 138 Nd 0.62816406699288 0.04680062514560 0.47749588974745 144.242 > 137 139 Nd 0.12816406699288 0.54680062514560 0.47749588974745 144.242 > 137 140 Nd 0.62816406699288 0.54680062514560 0.47749588974745 144.242 > 137 141 Nd 0.37183593300712 0.29680062514560 0.02250411025255 144.242 > 141 142 Nd 0.87183593300712 0.29680062514560 0.02250411025255 144.242 > 141 143 Nd 0.37183593300712 0.79680062514560 0.02250411025255 144.242 > 141 144 Nd 0.87183593300712 0.79680062514560 0.02250411025255 144.242 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7889544 0.0000000 0.0089311 0.0000000 4.6371858 0.0000000 0.0089309 0.0000000 4.7449003 -------------------------- Born effective charges -------------------------- 1 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 2 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 3 Be 1.8800997 0.0789974 0.0660685 0.0164182 1.7734145 0.0139601 0.0369342 0.0132504 1.6978607 4 Be 1.8800997 -0.0789974 0.0660685 -0.0164182 1.7734145 -0.0139601 0.0369342 -0.0132504 1.6978607 5 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 6 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 7 O -2.3868592 -0.0021721 -0.0097796 -0.0449465 -2.5416201 0.0699740 0.0662359 0.0656567 -2.5620470 8 O -2.3868592 0.0021721 -0.0097796 0.0449465 -2.5416201 -0.0699740 0.0662359 -0.0656567 -2.5620470 9 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 10 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 11 O -2.5508906 -0.0260281 -0.0797398 -0.0644711 -2.5680333 0.0848939 -0.1323250 0.1446731 -2.6933458 12 O -2.5508906 0.0260281 -0.0797398 0.0644711 -2.5680333 -0.0848939 -0.1323250 -0.1446731 -2.6933458 13 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 14 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 15 O -2.4267356 -0.0657650 -0.0406296 -0.0165687 -2.3814459 0.0279800 -0.0266756 -0.0509412 -2.5244772 16 O -2.4267356 0.0657650 -0.0406296 0.0165687 -2.3814459 -0.0279800 -0.0266756 0.0509412 -2.5244772 17 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 18 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 19 O -2.8267474 -0.0019220 -0.0424968 0.0549064 -2.2846871 0.0329756 -0.0983862 0.0491533 -2.1892319 20 O -2.8267474 0.0019220 -0.0424968 -0.0549064 -2.2846871 -0.0329756 -0.0983862 -0.0491533 -2.1892319 21 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 22 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 23 O -2.6264770 -0.0492369 0.0766240 -0.1001447 -2.3068623 0.0792492 0.1174539 0.1106353 -2.2229500 24 O -2.6264770 0.0492369 0.0766240 0.1001447 -2.3068623 -0.0792492 0.1174539 -0.1106353 -2.2229500 25 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 26 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 27 Ba 3.0783453 0.0352910 -0.0475238 0.0401910 2.4469485 -0.0641317 -0.0504553 -0.0586783 2.7167355 28 Ba 3.0783453 -0.0352910 -0.0475238 -0.0401910 2.4469485 0.0641317 -0.0504553 0.0586783 2.7167355 29 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 30 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 31 Nd 3.7434376 0.0505432 0.1023713 0.0848241 3.9538562 -0.1029518 0.1529106 -0.0160312 3.8156392 32 Nd 3.7434376 -0.0505432 0.1023713 -0.0848241 3.9538562 0.1029518 0.1529106 0.0160312 3.8156392 33 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 34 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 35 Nd 4.1158272 0.0780913 -0.0248941 0.0422883 3.9084295 0.1230810 -0.0656924 0.0454782 3.9618164 36 Nd 4.1158272 -0.0780913 -0.0248941 -0.0422883 3.9084295 -0.1230810 -0.0656924 -0.0454782 3.9618164 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (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 8 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: 0.53, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 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 2.510 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.876 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 14.956 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.394 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 17.319 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.390 ( 0.000 0.000 0.000) 0.000 18.904 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 19.983 ( 0.000 0.000 0.000) 0.000 20.009 ( 0.000 0.000 0.000) 0.000 21.823 ( 0.000 0.000 0.000) 0.000 21.873 ( 0.000 0.000 0.000) 0.000 22.163 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 23.367 ( 0.000 0.000 0.000) 0.000 23.369 ( 0.000 0.000 0.000) 0.000 23.852 ( 0.000 0.000 0.000) 0.000 23.960 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 32.064 0.000 4.741) 32.413 0.661 ( 33.518 0.000 0.655) 33.524 1.160 ( 58.708 0.000 -1.314) 58.723 2.473 ( -3.410 0.000 -10.419) 10.963 2.501 ( -1.831 0.000 3.803) 4.221 2.587 ( 0.025 0.000 3.519) 3.519 2.662 ( -8.732 0.000 1.822) 8.920 2.808 ( 8.722 0.000 9.708) 13.050 2.838 ( -3.871 0.000 -0.509) 3.904 2.967 ( 2.417 0.000 -0.333) 2.440 3.086 ( 2.364 0.000 -1.400) 2.747 3.156 ( -10.473 0.000 -1.996) 10.662 3.260 ( 2.122 0.000 4.436) 4.917 3.334 ( 5.925 0.000 -7.679) 9.699 3.416 ( 3.638 0.000 -0.708) 3.707 3.546 ( -2.828 0.000 -0.644) 2.900 3.624 ( -4.615 0.000 -3.018) 5.514 3.677 ( -6.483 0.000 -2.577) 6.977 3.879 ( 1.885 0.000 0.841) 2.064 3.890 ( -1.138 0.000 -5.896) 6.005 3.966 ( 9.632 0.000 2.754) 10.018 4.021 ( 5.163 0.000 -6.657) 8.425 4.108 ( 2.419 0.000 -0.175) 2.425 4.203 ( -1.941 0.000 2.646) 3.281 4.328 ( 6.592 0.000 6.727) 9.418 4.349 ( 0.332 0.000 4.445) 4.458 4.514 ( 3.803 0.000 2.154) 4.370 4.560 ( 3.232 0.000 -4.235) 5.327 4.818 ( -2.816 0.000 2.677) 3.885 4.940 ( -2.633 0.000 -0.471) 2.675 4.986 ( -2.872 0.000 -1.413) 3.201 5.037 ( -3.879 0.000 3.642) 5.320 5.100 ( 3.685 0.000 -11.143) 11.737 5.526 ( -1.591 0.000 -4.354) 4.636 5.631 ( -12.075 0.000 -4.505) 12.888 5.863 ( -1.622 0.000 2.516) 2.994 6.246 ( -0.252 0.000 9.223) 9.226 6.441 ( 0.132 0.000 -1.113) 1.120 6.475 ( -0.305 0.000 0.022) 0.306 6.616 ( -2.876 0.000 1.017) 3.051 7.219 ( 1.136 0.000 -0.035) 1.137 7.484 ( -0.587 0.000 0.880) 1.058 7.725 ( 0.097 0.000 2.763) 2.764 7.874 ( -0.950 0.000 -4.197) 4.303 8.087 ( -5.470 0.000 1.012) 5.563 8.150 ( -8.391 0.000 -2.502) 8.756 8.239 ( 2.569 0.000 -0.871) 2.713 8.404 ( -4.429 0.000 -4.296) 6.170 8.560 ( 6.169 0.000 5.105) 8.007 8.672 ( -1.383 0.000 6.921) 7.058 8.678 ( -2.234 0.000 -3.280) 3.968 8.696 ( 5.908 0.000 1.757) 6.164 8.811 ( 1.055 0.000 0.404) 1.130 8.855 ( 1.808 0.000 2.698) 3.248 9.010 ( 8.158 0.000 -2.807) 8.627 9.015 ( 0.625 0.000 -2.963) 3.028 9.264 ( -4.526 0.000 -3.526) 5.737 9.528 ( -2.781 0.000 -5.174) 5.874 9.570 ( -2.275 0.000 -2.560) 3.424 9.692 ( 8.058 0.000 2.665) 8.487 9.713 ( 0.263 0.000 -0.045) 0.267 9.794 ( 2.677 0.000 1.623) 3.130 10.015 ( 4.401 0.000 -1.053) 4.526 10.018 ( 2.481 0.000 -0.653) 2.566 10.179 ( -0.212 0.000 0.780) 0.808 10.363 ( 0.225 0.000 -1.925) 1.938 10.462 ( 0.780 0.000 8.323) 8.359 10.759 ( -1.167 0.000 -3.589) 3.774 11.181 ( 7.426 0.000 -7.512) 10.563 11.271 ( -2.540 0.000 -7.936) 8.332 11.459 ( 3.312 0.000 6.989) 7.734 11.489 ( 5.650 0.000 0.064) 5.651 11.506 ( -0.782 0.000 0.378) 0.869 11.851 ( 1.231 0.000 -2.790) 3.050 12.184 ( -4.831 0.000 2.491) 5.436 12.586 ( -1.189 0.000 -0.212) 1.208 12.617 ( 0.210 0.000 -3.160) 3.167 12.873 ( 3.152 0.000 0.269) 3.164 13.257 ( -5.110 0.000 6.289) 8.103 13.383 ( -6.644 0.000 11.229) 13.047 13.623 ( 1.700 0.000 -4.282) 4.607 13.873 ( -1.620 0.000 4.801) 5.067 13.964 ( 12.337 0.000 0.339) 12.341 14.101 ( -8.770 0.000 2.948) 9.252 14.121 ( 14.072 0.000 6.176) 15.367 14.632 ( 11.758 0.000 -6.900) 13.633 14.653 ( -11.640 0.000 6.124) 13.152 14.754 ( -8.193 0.000 5.187) 9.697 14.937 ( 2.479 0.000 -2.526) 3.539 15.445 ( 3.163 0.000 -2.495) 4.029 15.489 ( 7.829 0.000 -0.474) 7.843 15.815 ( -4.555 0.000 -4.775) 6.599 17.301 ( -2.740 0.000 -1.115) 2.958 17.349 ( -0.364 0.000 3.414) 3.433 18.102 ( -1.134 0.000 0.889) 1.441 18.339 ( -4.955 0.000 -1.044) 5.064 18.904 ( -1.089 0.000 9.563) 9.624 19.262 ( -2.305 0.000 -0.241) 2.317 19.844 ( -11.201 0.000 7.278) 13.358 19.975 ( -4.980 0.000 -8.063) 9.477 21.854 ( 2.725 0.000 -0.962) 2.890 22.052 ( -6.464 0.000 3.704) 7.450 22.235 ( 1.555 0.000 -2.392) 2.853 22.294 ( -2.930 0.000 0.675) 3.006 23.470 ( 9.698 0.000 2.323) 9.972 23.902 ( 4.848 0.000 -1.019) 4.954 24.044 ( 8.239 0.000 0.631) 8.263 25.039 ( -1.829 0.000 -8.033) 8.239 ======================= Grid point 2 (3/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 30.221 0.000 5.026) 30.636 1.279 ( 30.065 0.000 0.619) 30.071 2.231 ( 50.722 0.000 -0.767) 50.728 2.403 ( -3.766 0.000 -8.992) 9.749 2.413 ( -7.451 0.000 2.707) 7.927 2.514 ( -6.089 0.000 1.563) 6.287 2.589 ( -0.070 0.000 3.028) 3.029 2.738 ( -6.350 0.000 -0.120) 6.351 2.878 ( -14.095 0.000 2.774) 14.366 3.019 ( 3.154 0.000 0.778) 3.249 3.020 ( 9.697 0.000 2.377) 9.984 3.129 ( 1.868 0.000 0.842) 2.049 3.319 ( 3.652 0.000 -2.825) 4.618 3.435 ( 3.340 0.000 -0.969) 3.478 3.456 ( -3.193 0.000 -1.006) 3.347 3.517 ( 2.567 0.000 -0.007) 2.567 3.589 ( 1.387 0.000 -0.854) 1.628 3.594 ( -0.969 0.000 -4.344) 4.451 3.850 ( -2.516 0.000 -11.223) 11.502 3.929 ( 2.816 0.000 -0.084) 2.817 4.062 ( -2.988 0.000 -4.579) 5.468 4.106 ( 2.310 0.000 5.416) 5.888 4.151 ( 4.187 0.000 -2.619) 4.938 4.164 ( -0.872 0.000 3.700) 3.801 4.367 ( 1.564 0.000 3.230) 3.589 4.489 ( 9.136 0.000 8.138) 12.235 4.569 ( -2.680 0.000 0.250) 2.691 4.616 ( 5.150 0.000 3.830) 6.418 4.786 ( -2.374 0.000 1.436) 2.775 4.869 ( -4.523 0.000 1.155) 4.668 4.947 ( 0.775 0.000 -4.090) 4.163 4.974 ( -1.889 0.000 0.185) 1.898 5.153 ( 1.061 0.000 -2.797) 2.991 5.320 ( -17.732 0.000 -4.413) 18.273 5.486 ( -1.936 0.000 -4.769) 5.147 5.822 ( -2.482 0.000 3.007) 3.899 6.244 ( -0.079 0.000 3.584) 3.585 6.448 ( 0.684 0.000 -2.690) 2.775 6.467 ( -0.472 0.000 0.060) 0.476 6.557 ( -2.891 0.000 2.587) 3.879 7.245 ( 1.323 0.000 0.309) 1.359 7.481 ( 0.471 0.000 1.316) 1.398 7.725 ( -0.380 0.000 5.130) 5.144 7.807 ( -6.481 0.000 -4.531) 7.907 8.017 ( -1.148 0.000 -0.681) 1.334 8.040 ( -1.337 0.000 -1.146) 1.760 8.244 ( -10.036 0.000 -2.225) 10.280 8.307 ( 4.296 0.000 -2.084) 4.775 8.593 ( -1.867 0.000 -3.433) 3.908 8.612 ( -4.788 0.000 9.567) 10.698 8.744 ( -2.345 0.000 2.575) 3.483 8.767 ( 6.324 0.000 -2.451) 6.782 8.799 ( 0.226 0.000 5.525) 5.529 8.904 ( 3.616 0.000 1.622) 3.963 9.039 ( 2.076 0.000 -3.057) 3.695 9.164 ( 6.803 0.000 -4.576) 8.199 9.219 ( -0.277 0.000 -2.117) 2.135 9.477 ( -1.884 0.000 -2.569) 3.186 9.495 ( -5.107 0.000 -1.490) 5.320 9.741 ( 1.993 0.000 -0.170) 2.000 9.842 ( 1.810 0.000 0.808) 1.982 9.853 ( 7.901 0.000 3.358) 8.585 10.089 ( 4.204 0.000 2.267) 4.776 10.116 ( 5.570 0.000 -1.505) 5.770 10.191 ( 2.227 0.000 -1.757) 2.837 10.359 ( -0.691 0.000 -3.234) 3.307 10.494 ( 1.870 0.000 9.323) 9.508 10.734 ( -1.269 0.000 -4.443) 4.621 11.210 ( -3.304 0.000 -3.075) 4.514 11.332 ( 6.925 0.000 -7.774) 10.411 11.423 ( -2.684 0.000 2.772) 3.858 11.486 ( -1.094 0.000 0.178) 1.108 11.762 ( 17.783 0.000 4.196) 18.272 11.920 ( 6.173 0.000 -8.423) 10.442 12.105 ( -1.907 0.000 10.165) 10.342 12.576 ( -0.495 0.000 -0.829) 0.966 12.622 ( -0.293 0.000 -8.484) 8.489 12.870 ( -4.410 0.000 3.348) 5.537 13.084 ( -12.555 0.000 5.345) 13.645 13.297 ( -1.267 0.000 1.289) 1.807 13.627 ( -0.775 0.000 -3.810) 3.888 13.790 ( -4.594 0.000 4.069) 6.137 14.052 ( 0.682 0.000 1.354) 1.516 14.258 ( 14.754 0.000 -0.859) 14.779 14.412 ( -11.392 0.000 5.586) 12.688 14.482 ( 22.647 0.000 3.002) 22.845 14.553 ( -7.368 0.000 3.566) 8.186 14.779 ( 0.848 0.000 -0.249) 0.884 15.093 ( 11.902 0.000 -6.678) 13.647 15.443 ( -4.129 0.000 -5.129) 6.584 15.623 ( 5.368 0.000 1.311) 5.526 15.687 ( -8.689 0.000 1.441) 8.807 17.224 ( -4.231 0.000 -0.216) 4.236 17.357 ( 0.737 0.000 0.534) 0.910 18.075 ( -1.394 0.000 1.921) 2.374 18.223 ( -6.257 0.000 -2.247) 6.648 18.890 ( -0.260 0.000 4.221) 4.229 19.201 ( -3.708 0.000 -0.478) 3.738 19.622 ( -10.529 0.000 4.210) 11.340 19.842 ( -7.455 0.000 -4.893) 8.917 21.913 ( 3.329 0.000 -1.958) 3.862 21.940 ( -4.860 0.000 2.239) 5.351 22.213 ( -5.275 0.000 1.779) 5.566 22.235 ( -1.014 0.000 -1.969) 2.214 23.687 ( 11.231 0.000 2.448) 11.495 24.015 ( 6.103 0.000 -1.200) 6.220 24.247 ( 11.738 0.000 0.899) 11.772 24.979 ( -4.158 0.000 -3.625) 5.516 ======================= Grid point 3 (4/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 25.488 0.000 5.081) 25.989 1.800 ( 22.974 0.000 0.433) 22.978 2.207 ( -14.136 0.000 0.387) 14.141 2.231 ( -15.158 0.000 -5.867) 16.254 2.438 ( -1.898 0.000 0.458) 1.952 2.588 ( 0.126 0.000 1.799) 1.804 2.623 ( -4.010 0.000 0.400) 4.030 2.639 ( -6.857 0.000 -1.002) 6.930 3.045 ( 27.520 0.000 -1.418) 27.556 3.075 ( 1.925 0.000 1.253) 2.297 3.153 ( 0.567 0.000 0.123) 0.580 3.225 ( 8.796 0.000 3.449) 9.448 3.365 ( -4.295 0.000 -1.254) 4.474 3.386 ( 2.940 0.000 -3.865) 4.856 3.442 ( -1.519 0.000 2.231) 2.699 3.560 ( 1.387 0.000 0.220) 1.404 3.635 ( 3.138 0.000 -2.295) 3.888 3.657 ( 4.090 0.000 0.562) 4.128 3.812 ( 0.896 0.000 -8.144) 8.193 3.964 ( -1.927 0.000 1.255) 2.300 3.979 ( -0.976 0.000 -2.712) 2.883 4.027 ( -9.586 0.000 5.840) 11.225 4.185 ( 2.179 0.000 -1.568) 2.684 4.230 ( 2.801 0.000 -1.027) 2.984 4.343 ( -5.869 0.000 8.236) 10.113 4.510 ( -2.172 0.000 -5.745) 6.142 4.635 ( 4.399 0.000 3.098) 5.381 4.682 ( 1.687 0.000 2.357) 2.899 4.747 ( 2.567 0.000 2.770) 3.776 4.790 ( -2.859 0.000 1.086) 3.058 4.905 ( -9.950 0.000 -2.740) 10.320 4.962 ( 0.017 0.000 -1.500) 1.500 5.089 ( 1.444 0.000 0.106) 1.448 5.174 ( -1.582 0.000 -2.618) 3.059 5.463 ( -0.419 0.000 -2.001) 2.045 5.781 ( -1.390 0.000 1.321) 1.918 6.244 ( -0.003 0.000 1.021) 1.021 6.460 ( -0.237 0.000 0.046) 0.241 6.466 ( 1.147 0.000 -3.335) 3.527 6.512 ( -1.723 0.000 3.332) 3.751 7.264 ( 0.531 0.000 0.224) 0.577 7.508 ( 2.024 0.000 0.953) 2.237 7.673 ( -5.485 0.000 -1.653) 5.728 7.721 ( 0.041 0.000 3.097) 3.097 8.024 ( 0.795 0.000 -3.658) 3.743 8.060 ( 1.664 0.000 -1.329) 2.130 8.076 ( -5.671 0.000 1.819) 5.956 8.389 ( 3.498 0.000 -3.637) 5.046 8.519 ( -3.858 0.000 7.480) 8.416 8.600 ( 2.999 0.000 -3.347) 4.494 8.668 ( -3.490 0.000 0.412) 3.514 8.695 ( -5.734 0.000 1.607) 5.955 8.923 ( 4.269 0.000 1.335) 4.473 8.961 ( 1.589 0.000 0.638) 1.712 9.078 ( 1.427 0.000 -1.178) 1.851 9.222 ( 0.127 0.000 -0.306) 0.332 9.265 ( 3.865 0.000 -3.654) 5.319 9.395 ( -4.481 0.000 1.170) 4.631 9.459 ( -0.211 0.000 -0.917) 0.941 9.767 ( 0.602 0.000 -0.842) 1.036 9.861 ( 0.300 0.000 0.611) 0.680 9.976 ( 3.926 0.000 1.960) 4.389 10.141 ( 1.110 0.000 2.360) 2.608 10.203 ( 2.633 0.000 -0.753) 2.738 10.270 ( 4.149 0.000 -2.685) 4.942 10.339 ( -0.869 0.000 -2.114) 2.285 10.514 ( -0.138 0.000 4.441) 4.443 10.710 ( -0.878 0.000 -1.606) 1.830 11.158 ( -1.563 0.000 -0.797) 1.755 11.382 ( -1.229 0.000 0.895) 1.520 11.415 ( 1.982 0.000 -2.402) 3.114 11.471 ( -0.333 0.000 -0.295) 0.445 12.005 ( 1.479 0.000 -6.183) 6.357 12.136 ( 19.859 0.000 3.069) 20.094 12.180 ( 7.409 0.000 9.737) 12.235 12.473 ( -12.592 0.000 -1.779) 12.717 12.604 ( -0.309 0.000 -16.621) 16.624 12.721 ( -8.799 0.000 11.716) 14.652 12.901 ( -4.140 0.000 1.554) 4.422 13.292 ( 0.051 0.000 0.297) 0.301 13.607 ( -0.846 0.000 -1.225) 1.489 13.756 ( 0.338 0.000 0.536) 0.634 14.032 ( -2.263 0.000 0.725) 2.376 14.238 ( -4.999 0.000 0.541) 5.029 14.491 ( 7.501 0.000 1.112) 7.583 14.506 ( 1.302 0.000 3.480) 3.716 14.749 ( -2.430 0.000 -1.721) 2.977 14.944 ( 22.837 0.000 2.501) 22.973 15.283 ( 6.006 0.000 -3.317) 6.861 15.291 ( -11.631 0.000 -4.635) 12.520 15.493 ( -9.169 0.000 1.795) 9.343 15.687 ( 1.388 0.000 1.439) 2.000 17.163 ( -1.698 0.000 -0.014) 1.698 17.369 ( 0.389 0.000 0.009) 0.389 18.060 ( -0.054 0.000 2.202) 2.202 18.123 ( -3.401 0.000 -2.407) 4.167 18.897 ( 0.573 0.000 1.486) 1.593 19.137 ( -2.273 0.000 -0.371) 2.303 19.479 ( -3.880 0.000 1.462) 4.147 19.726 ( -3.566 0.000 -1.683) 3.943 21.875 ( -1.750 0.000 0.770) 1.912 21.984 ( 3.923 0.000 -2.138) 4.468 22.106 ( -5.171 0.000 2.093) 5.579 22.214 ( -0.788 0.000 -0.726) 1.072 23.852 ( 4.797 0.000 1.026) 4.905 24.105 ( 2.652 0.000 -0.549) 2.708 24.447 ( 7.141 0.000 0.642) 7.170 24.890 ( -3.882 0.000 -1.416) 4.132 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 26.160 0.000) 26.160 0.647 ( 0.000 33.800 0.000) 33.800 0.985 ( 0.000 51.475 0.000) 51.475 2.518 ( 0.000 0.982 0.000) 0.982 2.564 ( 0.000 -0.502 0.000) 0.502 2.590 ( 0.000 4.866 0.000) 4.866 2.662 ( 0.000 -2.426 0.000) 2.426 2.796 ( 0.000 -1.468 0.000) 1.468 2.906 ( 0.000 4.160 0.000) 4.160 2.950 ( 0.000 0.955 0.000) 0.955 3.062 ( 0.000 -0.611 0.000) 0.611 3.172 ( 0.000 -2.773 0.000) 2.773 3.260 ( 0.000 1.175 0.000) 1.175 3.372 ( 0.000 -0.613 0.000) 0.613 3.373 ( 0.000 5.967 0.000) 5.967 3.530 ( 0.000 -6.810 0.000) 6.810 3.635 ( 0.000 -6.218 0.000) 6.218 3.709 ( 0.000 -5.147 0.000) 5.147 3.757 ( 0.000 -2.995 0.000) 2.995 3.829 ( 0.000 -6.664 0.000) 6.664 3.868 ( 0.000 -1.074 0.000) 1.074 3.970 ( 0.000 -0.403 0.000) 0.403 4.087 ( 0.000 -0.100 0.000) 0.100 4.132 ( 0.000 -4.287 0.000) 4.287 4.273 ( 0.000 -4.719 0.000) 4.719 4.351 ( 0.000 4.236 0.000) 4.236 4.527 ( 0.000 2.584 0.000) 2.584 4.558 ( 0.000 4.931 0.000) 4.931 4.868 ( 0.000 1.826 0.000) 1.826 4.908 ( 0.000 -5.912 0.000) 5.912 5.010 ( 0.000 -1.283 0.000) 1.283 5.084 ( 0.000 6.318 0.000) 6.318 5.268 ( 0.000 7.270 0.000) 7.270 5.517 ( 0.000 -2.645 0.000) 2.645 5.623 ( 0.000 -0.578 0.000) 0.578 5.885 ( 0.000 0.284 0.000) 0.284 6.213 ( 0.000 -2.033 0.000) 2.033 6.358 ( 0.000 -10.802 0.000) 10.802 6.615 ( 0.000 -3.120 0.000) 3.120 6.955 ( 0.000 1.088 0.000) 1.088 7.502 ( 0.000 0.055 0.000) 0.055 7.593 ( 0.000 4.519 0.000) 4.519 7.810 ( 0.000 7.332 0.000) 7.332 7.825 ( 0.000 -6.754 0.000) 6.754 7.977 ( 0.000 -3.875 0.000) 3.875 8.280 ( 0.000 2.403 0.000) 2.403 8.376 ( 0.000 -3.060 0.000) 3.060 8.472 ( 0.000 0.012 0.000) 0.012 8.486 ( 0.000 -6.082 0.000) 6.082 8.545 ( 0.000 -0.959 0.000) 0.959 8.683 ( 0.000 -1.532 0.000) 1.532 8.761 ( 0.000 -0.851 0.000) 0.851 8.796 ( 0.000 1.783 0.000) 1.783 8.859 ( 0.000 0.814 0.000) 0.814 8.951 ( 0.000 4.201 0.000) 4.201 9.071 ( 0.000 4.885 0.000) 4.885 9.318 ( 0.000 -0.613 0.000) 0.613 9.447 ( 0.000 -9.929 0.000) 9.929 9.601 ( 0.000 -5.328 0.000) 5.328 9.627 ( 0.000 -3.845 0.000) 3.845 9.646 ( 0.000 9.161 0.000) 9.161 9.863 ( 0.000 4.127 0.000) 4.127 9.876 ( 0.000 7.984 0.000) 7.984 10.030 ( 0.000 -7.107 0.000) 7.107 10.191 ( 0.000 -2.111 0.000) 2.111 10.218 ( 0.000 -4.086 0.000) 4.086 10.441 ( 0.000 5.578 0.000) 5.578 10.858 ( 0.000 1.549 0.000) 1.549 10.941 ( 0.000 12.871 0.000) 12.871 11.310 ( 0.000 -5.348 0.000) 5.348 11.388 ( 0.000 4.850 0.000) 4.850 11.463 ( 0.000 -2.919 0.000) 2.919 11.658 ( 0.000 14.248 0.000) 14.248 11.839 ( 0.000 0.400 0.000) 0.400 12.235 ( 0.000 0.095 0.000) 0.095 12.569 ( 0.000 -2.862 0.000) 2.862 12.607 ( 0.000 -1.605 0.000) 1.605 12.827 ( 0.000 0.446 0.000) 0.446 13.256 ( 0.000 -5.113 0.000) 5.113 13.447 ( 0.000 3.359 0.000) 3.359 13.529 ( 0.000 -3.197 0.000) 3.197 13.777 ( 0.000 -4.109 0.000) 4.109 13.817 ( 0.000 5.579 0.000) 5.579 14.092 ( 0.000 9.979 0.000) 9.979 14.278 ( 0.000 -7.157 0.000) 7.157 14.357 ( 0.000 1.428 0.000) 1.428 14.540 ( 0.000 -12.718 0.000) 12.718 14.885 ( 0.000 -1.775 0.000) 1.775 15.056 ( 0.000 8.436 0.000) 8.436 15.345 ( 0.000 -4.935 0.000) 4.935 15.526 ( 0.000 1.468 0.000) 1.468 15.773 ( 0.000 -7.443 0.000) 7.443 17.321 ( 0.000 0.214 0.000) 0.214 17.346 ( 0.000 -1.327 0.000) 1.327 18.147 ( 0.000 2.982 0.000) 2.982 18.380 ( 0.000 -3.076 0.000) 3.076 18.945 ( 0.000 4.331 0.000) 4.331 19.302 ( 0.000 1.545 0.000) 1.545 19.909 ( 0.000 -7.221 0.000) 7.221 19.961 ( 0.000 -5.365 0.000) 5.365 21.880 ( 0.000 0.985 0.000) 0.985 22.156 ( 0.000 -0.717 0.000) 0.717 22.391 ( 0.000 6.591 0.000) 6.591 22.631 ( 0.000 1.790 0.000) 1.790 23.366 ( 0.000 -0.344 0.000) 0.344 23.886 ( 0.000 -6.734 0.000) 6.734 23.898 ( 0.000 4.693 0.000) 4.693 24.240 ( 0.000 3.217 0.000) 3.217 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 21.192 17.883 8.819) 29.098 0.810 ( 25.424 16.083 -7.891) 31.101 1.574 ( 43.843 34.293 1.038) 55.671 2.464 ( -4.040 0.843 -5.631) 6.981 2.531 ( -2.090 -2.639 2.392) 4.129 2.584 ( -1.347 4.929 -0.700) 5.158 2.699 ( -5.296 2.461 1.640) 6.066 2.750 ( 2.774 -2.087 6.952) 7.771 2.901 ( 1.415 2.745 2.570) 4.018 2.988 ( 2.036 1.630 0.473) 2.651 3.052 ( -1.539 -2.466 -2.867) 4.082 3.182 ( -1.573 0.992 -2.195) 2.877 3.270 ( -1.613 1.530 4.671) 5.173 3.338 ( 1.904 -0.150 -6.458) 6.734 3.408 ( 3.324 -0.974 -0.788) 3.552 3.494 ( -2.428 -4.964 0.172) 5.529 3.579 ( -2.486 -3.341 -2.982) 5.122 3.669 ( -3.532 -1.210 -1.415) 3.992 3.781 ( 1.441 -6.848 -0.682) 7.032 3.838 ( 1.017 -4.844 -0.842) 5.021 3.978 ( 7.328 -1.545 -0.951) 7.550 4.008 ( 3.377 -1.979 -7.061) 8.073 4.094 ( 0.600 -4.134 -2.338) 4.787 4.158 ( 2.787 -0.296 7.699) 8.193 4.282 ( 0.395 -4.351 4.257) 6.100 4.405 ( 5.057 4.814 7.771) 10.447 4.564 ( 3.662 1.992 -0.588) 4.210 4.582 ( 2.540 3.780 -5.407) 7.069 4.785 ( -5.844 -0.538 -0.630) 5.902 4.876 ( -3.043 -4.839 3.353) 6.627 4.991 ( -1.903 0.115 0.380) 1.944 5.108 ( 1.403 4.232 -1.778) 4.799 5.201 ( -4.978 8.042 -1.903) 9.648 5.516 ( -0.372 -1.240 -5.240) 5.397 5.572 ( -7.252 -1.786 -0.792) 7.511 5.870 ( -1.469 0.253 2.844) 3.212 6.216 ( 0.228 -2.314 1.294) 2.661 6.339 ( -1.622 -10.046 1.120) 10.237 6.592 ( -2.362 -1.726 -0.824) 3.039 6.785 ( -11.120 12.360 -0.278) 16.628 7.365 ( -6.362 10.929 -2.333) 12.860 7.525 ( -0.207 4.950 3.591) 6.119 7.774 ( -0.952 5.025 -0.702) 5.162 7.789 ( -4.013 -7.566 0.694) 8.592 7.989 ( -0.603 -1.509 2.076) 2.637 8.283 ( 0.076 3.121 1.805) 3.606 8.338 ( -5.745 -4.390 -0.946) 7.292 8.400 ( -7.997 9.807 -5.849) 13.941 8.516 ( 1.349 -4.687 0.594) 4.913 8.567 ( 7.703 -2.665 4.728) 9.423 8.653 ( 0.824 -2.825 2.330) 3.754 8.692 ( -2.670 0.178 -0.419) 2.708 8.765 ( -2.253 -2.106 -3.862) 4.943 8.943 ( 5.090 3.850 4.513) 7.816 9.011 ( 5.946 1.288 -0.507) 6.105 9.065 ( 1.127 2.260 -5.310) 5.880 9.287 ( -2.141 2.845 -3.251) 4.821 9.497 ( -4.212 -5.647 1.396) 7.182 9.529 ( 3.941 -9.105 1.523) 10.037 9.616 ( -2.002 3.660 -3.734) 5.599 9.715 ( 3.619 -2.110 -1.059) 4.321 9.847 ( 0.410 0.822 0.564) 1.078 9.889 ( 1.340 6.166 0.555) 6.334 10.128 ( 2.039 -18.988 1.165) 19.133 10.198 ( 0.138 -3.083 1.833) 3.590 10.280 ( 4.533 8.028 0.725) 9.248 10.435 ( 0.024 5.656 2.459) 6.168 10.815 ( -1.146 4.354 -5.035) 6.755 11.151 ( 10.857 1.023 -6.317) 12.602 11.284 ( 1.198 -4.706 -7.429) 8.875 11.430 ( -1.028 -3.020 5.408) 6.279 11.498 ( 6.300 7.887 3.020) 10.536 11.693 ( 3.694 13.785 1.449) 14.345 11.850 ( 0.604 0.532 -2.480) 2.607 12.185 ( -4.647 0.419 2.024) 5.086 12.518 ( -2.428 -3.690 0.383) 4.434 12.658 ( 3.227 1.268 -3.658) 5.040 12.857 ( 1.536 -1.535 0.777) 2.306 13.178 ( -7.302 -7.272 9.055) 13.719 13.385 ( -4.417 1.980 6.566) 8.157 13.572 ( 1.164 -4.673 -8.311) 9.606 13.803 ( 4.807 -6.367 2.163) 8.266 13.971 ( 7.252 -3.069 3.928) 8.800 14.040 ( 0.684 4.469 3.030) 5.442 14.198 ( 3.054 7.913 2.179) 8.758 14.476 ( -6.803 -13.039 1.579) 14.792 14.609 ( 13.028 -2.566 -3.741) 13.796 14.914 ( -4.065 7.508 1.311) 8.638 15.037 ( -0.415 5.575 -2.061) 5.958 15.391 ( 2.907 -4.945 -1.640) 5.966 15.509 ( 3.821 1.132 -0.433) 4.008 15.731 ( -4.418 -8.019 -0.650) 9.178 17.293 ( -3.105 -0.610 -1.469) 3.489 17.342 ( 0.094 -0.521 2.163) 2.226 18.139 ( -1.008 3.129 1.133) 3.477 18.325 ( -4.799 -1.824 -1.022) 5.235 18.938 ( -0.949 3.750 5.288) 6.552 19.271 ( -2.760 1.001 -0.811) 3.046 19.790 ( -9.895 -5.359 5.572) 12.557 19.928 ( -4.277 -4.853 -6.180) 8.946 21.783 ( -4.279 -0.590 0.329) 4.332 22.138 ( -2.061 -3.766 -1.423) 4.522 22.293 ( -5.810 11.006 1.110) 12.495 22.506 ( -7.393 14.826 1.135) 16.606 23.416 ( 10.155 -4.141 1.548) 11.075 23.856 ( 3.349 -4.824 -0.037) 5.873 24.083 ( 9.444 3.704 0.342) 10.150 24.706 ( 19.605 -18.790 -5.054) 27.622 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 27.936 5.331 9.735) 30.060 1.347 ( 28.504 7.933 -5.811) 30.153 2.374 ( 0.595 3.801 -1.349) 4.077 2.432 ( 28.970 11.721 -1.663) 31.296 2.479 ( -2.392 1.074 -0.019) 2.622 2.512 ( -2.108 5.486 -1.661) 6.107 2.614 ( -3.054 2.441 3.003) 4.930 2.730 ( -2.519 0.233 0.150) 2.534 2.872 ( -11.266 -0.761 3.491) 11.819 3.006 ( 4.317 -0.351 -1.919) 4.737 3.080 ( 6.813 4.664 4.129) 9.231 3.150 ( 0.073 1.417 -0.149) 1.427 3.283 ( 1.430 -3.224 -2.432) 4.284 3.386 ( 1.432 -3.555 0.617) 3.882 3.459 ( 1.756 -1.360 -2.012) 2.997 3.496 ( 2.408 -2.343 -0.337) 3.377 3.559 ( 0.974 -3.062 -0.448) 3.244 3.626 ( -0.395 3.403 -1.977) 3.955 3.810 ( 0.778 -4.533 -8.664) 9.809 3.844 ( -0.107 -6.491 -1.107) 6.586 4.000 ( -1.708 -2.499 -1.678) 3.461 4.093 ( -0.379 -5.599 2.047) 5.973 4.131 ( 6.045 -2.013 -3.059) 7.067 4.225 ( 0.403 5.516 1.835) 5.827 4.313 ( 4.477 -4.060 5.260) 8.012 4.513 ( 3.737 1.286 7.332) 8.330 4.579 ( -1.633 1.918 3.493) 4.307 4.662 ( 3.947 2.027 -0.366) 4.452 4.706 ( -1.579 -3.351 -1.590) 4.031 4.845 ( 0.936 -3.851 1.244) 4.154 4.950 ( -1.903 1.029 -0.109) 2.166 5.056 ( -6.882 6.198 -1.959) 9.466 5.155 ( 0.058 -0.001 -3.068) 3.068 5.340 ( -14.662 2.705 -1.489) 14.983 5.505 ( -0.377 1.502 -5.013) 5.247 5.836 ( -1.949 0.906 3.069) 3.746 6.221 ( 0.234 -2.255 1.728) 2.850 6.316 ( -0.512 -9.482 0.725) 9.523 6.534 ( -2.889 1.054 -1.789) 3.558 6.661 ( -3.002 9.346 0.697) 9.841 7.319 ( -0.359 7.051 -0.900) 7.117 7.531 ( 0.732 5.311 2.500) 5.915 7.697 ( -3.980 -5.058 3.395) 7.277 7.770 ( -0.182 2.500 -0.953) 2.682 8.004 ( 2.357 0.284 -1.118) 2.624 8.182 ( -7.561 2.611 1.442) 8.128 8.224 ( -9.752 2.301 -5.789) 11.572 8.322 ( 1.958 1.924 -0.417) 2.776 8.491 ( -1.746 -3.933 1.704) 4.629 8.613 ( -4.328 -7.230 0.146) 8.428 8.667 ( -1.484 -3.089 1.395) 3.700 8.730 ( 0.846 -1.353 3.105) 3.491 8.789 ( 10.007 1.472 0.801) 10.146 9.027 ( 2.736 2.637 1.735) 4.178 9.060 ( 1.770 4.423 1.623) 5.033 9.184 ( 7.306 0.456 -4.465) 8.574 9.251 ( -1.249 4.564 -5.036) 6.911 9.391 ( -4.873 -5.292 -0.511) 7.212 9.549 ( -4.489 3.004 -1.444) 5.591 9.648 ( 5.809 -12.272 1.991) 13.723 9.761 ( 2.488 -4.108 0.589) 4.839 9.861 ( 0.057 -9.286 -1.997) 9.498 9.920 ( 1.308 3.481 0.971) 3.843 10.170 ( 2.904 -11.117 -0.588) 11.505 10.205 ( 0.565 -3.876 3.161) 5.033 10.343 ( 2.044 3.338 3.849) 5.490 10.456 ( 2.372 8.596 -0.761) 8.950 10.800 ( -0.574 4.331 -3.892) 5.851 11.198 ( -1.571 -2.502 -6.398) 7.047 11.399 ( -1.326 -1.080 2.973) 3.430 11.462 ( 12.023 5.709 -4.960) 14.204 11.614 ( 4.506 9.894 -0.148) 10.873 11.781 ( 3.613 6.658 -1.849) 7.797 11.904 ( 7.214 -0.433 2.769) 7.739 12.118 ( -0.287 1.376 7.104) 7.241 12.488 ( -1.907 -4.745 -3.106) 5.983 12.693 ( -0.208 3.625 -7.530) 8.360 12.829 ( -4.827 -4.126 4.151) 7.587 12.997 ( -10.100 -7.175 5.812) 13.684 13.340 ( -0.458 3.814 2.958) 4.849 13.563 ( -0.952 -4.596 -5.547) 7.266 13.856 ( -1.047 4.728 1.888) 5.197 14.016 ( 7.712 -9.558 5.131) 13.309 14.252 ( 5.503 2.624 0.383) 6.108 14.269 ( -7.748 -5.945 1.297) 9.852 14.385 ( 12.579 -4.179 1.744) 13.369 14.758 ( 0.262 3.268 -3.336) 4.677 14.816 ( 0.394 8.971 5.017) 10.286 15.114 ( 7.917 2.048 -4.888) 9.527 15.387 ( -3.589 -5.514 -2.590) 7.071 15.612 ( -5.471 -6.513 -2.721) 8.930 15.625 ( 3.387 -1.402 3.933) 5.376 17.219 ( -3.909 -0.358 -0.248) 3.933 17.350 ( 0.477 -0.768 0.367) 0.975 18.110 ( -1.884 2.866 1.747) 3.849 18.222 ( -5.077 0.089 -1.974) 5.448 18.922 ( -0.494 3.283 3.737) 4.998 19.204 ( -3.948 0.235 -0.949) 4.068 19.593 ( -9.323 -2.832 3.514) 10.358 19.813 ( -6.516 -3.043 -4.008) 8.233 21.756 ( 0.785 -5.329 0.123) 5.387 22.062 ( -5.709 -3.768 -0.805) 6.887 22.204 ( -3.134 10.227 1.123) 10.756 22.384 ( -5.320 9.065 -0.424) 10.519 23.652 ( 12.013 -3.241 2.123) 12.623 23.955 ( 5.941 -5.814 -0.496) 8.327 24.291 ( 11.294 4.032 0.446) 12.000 24.880 ( 1.990 -8.442 -3.049) 9.194 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 24.534 2.399 7.847) 25.870 1.863 ( 23.959 5.368 -3.017) 24.738 2.200 ( -15.039 1.170 -3.135) 15.407 2.291 ( -15.809 4.685 -1.377) 16.546 2.439 ( -0.775 0.134 -0.711) 1.060 2.534 ( -3.704 -3.662 0.857) 5.279 2.624 ( -0.834 1.453 -2.405) 2.931 2.677 ( -5.484 2.282 3.278) 6.784 3.079 ( 3.444 -0.925 1.311) 3.799 3.106 ( 9.735 2.654 -3.176) 10.579 3.163 ( 4.114 -1.170 4.143) 5.955 3.257 ( 11.559 6.573 0.488) 13.306 3.290 ( -0.281 -2.742 -2.086) 3.456 3.407 ( 0.878 -0.603 0.325) 1.114 3.495 ( 1.361 2.647 -1.260) 3.232 3.527 ( 1.386 -2.766 -0.262) 3.105 3.607 ( 1.683 -5.355 1.187) 5.737 3.652 ( 3.535 2.863 0.280) 4.557 3.814 ( 0.579 -4.447 -7.710) 8.919 3.843 ( 1.545 -4.459 -0.830) 4.792 3.957 ( -1.624 -0.359 0.614) 1.773 4.069 ( -4.989 0.481 1.937) 5.373 4.162 ( -3.633 -0.231 1.686) 4.012 4.233 ( 3.731 -1.074 -1.166) 4.054 4.361 ( -1.648 -1.259 3.419) 3.999 4.480 ( -1.381 -0.578 -1.214) 1.928 4.647 ( 2.878 0.340 3.485) 4.533 4.667 ( 0.343 -2.483 0.959) 2.684 4.708 ( -0.721 2.030 0.820) 2.305 4.847 ( -6.580 -0.552 -1.151) 6.703 4.902 ( 3.987 3.421 2.811) 5.958 4.984 ( -1.173 -0.138 -4.877) 5.018 5.112 ( -5.738 3.646 0.091) 6.799 5.151 ( -1.064 -1.862 -1.400) 2.561 5.506 ( 0.297 3.440 -1.926) 3.954 5.804 ( -1.085 1.705 1.279) 2.391 6.225 ( 0.107 -1.931 0.796) 2.091 6.316 ( 0.232 -9.501 0.220) 9.506 6.496 ( -1.005 1.669 -0.873) 2.134 6.627 ( -0.824 7.215 0.436) 7.274 7.318 ( 0.066 5.525 -0.320) 5.535 7.547 ( 0.387 3.693 1.421) 3.976 7.677 ( 2.142 0.996 1.033) 2.578 7.746 ( -2.661 3.116 0.370) 4.115 8.044 ( -3.460 0.479 -3.358) 4.845 8.057 ( -1.533 -0.889 1.398) 2.257 8.079 ( -2.146 1.650 -0.662) 2.787 8.373 ( 2.931 -1.188 -3.334) 4.595 8.462 ( -1.965 -3.494 4.297) 5.876 8.542 ( -2.264 -6.316 -0.405) 6.722 8.611 ( -2.087 -4.381 -1.132) 4.983 8.765 ( 1.610 3.683 3.653) 5.432 8.942 ( 4.569 1.626 0.677) 4.897 9.054 ( -1.448 7.397 -0.719) 7.571 9.063 ( 0.524 0.898 0.653) 1.228 9.239 ( 0.388 2.030 -1.737) 2.700 9.302 ( 3.171 1.234 -5.614) 6.565 9.330 ( -0.240 -4.397 2.750) 5.192 9.457 ( -4.255 0.258 0.351) 4.277 9.726 ( 1.850 -6.758 0.604) 7.033 9.821 ( 2.946 -10.434 0.931) 10.882 9.858 ( -0.008 -17.987 -1.412) 18.043 9.921 ( -0.989 -1.021 0.170) 1.432 10.206 ( 0.408 -3.336 2.370) 4.113 10.235 ( 2.012 -4.538 -2.028) 5.362 10.363 ( 0.126 -1.045 2.782) 2.974 10.512 ( 2.431 9.926 -0.908) 10.260 10.785 ( -0.775 4.175 -1.040) 4.371 11.164 ( -1.225 0.725 -2.351) 2.748 11.381 ( -0.536 1.104 0.970) 1.564 11.614 ( 3.016 15.761 -1.856) 16.154 11.675 ( 1.800 13.262 0.165) 13.384 11.848 ( 3.699 -10.256 -6.182) 12.533 12.080 ( 7.794 -4.616 7.517) 11.771 12.204 ( 6.852 -0.526 7.769) 10.373 12.410 ( -4.676 -2.539 -6.891) 8.706 12.595 ( -8.349 -2.456 -6.398) 10.801 12.743 ( -3.106 2.883 3.748) 5.657 12.867 ( -2.288 -3.335 2.629) 4.823 13.344 ( 0.295 5.428 1.246) 5.577 13.547 ( -0.601 -4.272 -2.540) 5.007 13.862 ( 1.598 8.906 -0.570) 9.066 14.080 ( -3.349 -12.694 4.998) 14.047 14.153 ( -1.834 6.503 -1.454) 6.911 14.302 ( 3.232 -8.740 0.473) 9.330 14.613 ( 7.405 0.549 3.856) 8.367 14.730 ( -3.063 -0.720 -4.540) 5.523 14.990 ( 15.826 3.933 2.651) 16.522 15.184 ( -2.405 -7.484 -1.855) 8.076 15.303 ( -6.818 -0.316 -2.424) 7.243 15.471 ( -3.675 -2.558 0.686) 4.530 15.685 ( 1.154 -0.780 0.447) 1.463 17.163 ( -1.544 0.078 0.015) 1.546 17.357 ( 0.221 -1.283 -0.012) 1.302 18.077 ( -1.142 1.462 1.139) 2.177 18.151 ( -1.969 2.796 -1.333) 3.671 18.925 ( 0.432 2.836 1.501) 3.238 19.136 ( -2.358 -0.084 -0.589) 2.432 19.467 ( -3.449 -1.247 1.266) 3.880 19.712 ( -3.134 -1.636 -1.412) 3.807 21.793 ( 2.409 -5.005 0.166) 5.557 21.950 ( -4.651 -5.274 -0.453) 7.046 22.171 ( -0.614 7.809 0.492) 7.848 22.304 ( -2.511 6.577 -0.245) 7.044 23.825 ( 4.961 -2.579 0.906) 5.664 24.047 ( 2.763 -5.743 -0.290) 6.379 24.477 ( 6.414 2.845 0.378) 7.027 24.863 ( -1.984 -2.597 -1.200) 3.482 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 25.921 0.000) 25.921 1.261 ( 0.000 31.191 0.000) 31.191 1.915 ( 0.000 46.598 0.000) 46.598 2.452 ( 0.000 -6.911 0.000) 6.911 2.645 ( 0.000 6.603 0.000) 6.603 2.650 ( 0.000 1.558 0.000) 1.558 2.697 ( 0.000 4.816 0.000) 4.816 2.748 ( 0.000 -1.993 0.000) 1.993 2.959 ( 0.000 -0.105 0.000) 0.105 2.980 ( 0.000 2.925 0.000) 2.925 3.013 ( 0.000 -3.449 0.000) 3.449 3.173 ( 0.000 2.018 0.000) 2.018 3.298 ( 0.000 1.341 0.000) 1.341 3.340 ( 0.000 -3.888 0.000) 3.888 3.370 ( 0.000 -5.323 0.000) 5.323 3.434 ( 0.000 -2.847 0.000) 2.847 3.554 ( 0.000 1.123 0.000) 1.123 3.646 ( 0.000 -3.098 0.000) 3.098 3.673 ( 0.000 -5.107 0.000) 5.107 3.712 ( 0.000 -3.964 0.000) 3.964 3.790 ( 0.000 -7.644 0.000) 7.644 3.912 ( 0.000 -5.018 0.000) 5.018 4.060 ( 0.000 -3.939 0.000) 3.939 4.067 ( 0.000 -1.592 0.000) 1.592 4.135 ( 0.000 -8.664 0.000) 8.664 4.437 ( 0.000 4.492 0.000) 4.492 4.572 ( 0.000 2.369 0.000) 2.369 4.697 ( 0.000 8.653 0.000) 8.653 4.739 ( 0.000 -12.698 0.000) 12.698 4.945 ( 0.000 6.178 0.000) 6.178 4.981 ( 0.000 -1.515 0.000) 1.515 5.219 ( 0.000 6.383 0.000) 6.383 5.422 ( 0.000 8.896 0.000) 8.896 5.444 ( 0.000 -4.904 0.000) 4.904 5.590 ( 0.000 -3.466 0.000) 3.466 5.881 ( 0.000 -0.670 0.000) 0.670 6.148 ( 0.000 -9.856 0.000) 9.856 6.156 ( 0.000 -3.922 0.000) 3.922 6.554 ( 0.000 -2.727 0.000) 2.727 6.916 ( 0.000 -5.825 0.000) 5.825 7.510 ( 0.000 1.400 0.000) 1.400 7.690 ( 0.000 -5.337 0.000) 5.337 7.750 ( 0.000 10.942 0.000) 10.942 7.935 ( 0.000 -1.554 0.000) 1.554 7.953 ( 0.000 6.877 0.000) 6.877 8.283 ( 0.000 -0.272 0.000) 0.272 8.319 ( 0.000 -3.246 0.000) 3.246 8.366 ( 0.000 -5.816 0.000) 5.816 8.500 ( 0.000 -3.323 0.000) 3.323 8.502 ( 0.000 -0.379 0.000) 0.379 8.674 ( 0.000 0.220 0.000) 0.220 8.703 ( 0.000 -0.422 0.000) 0.422 8.846 ( 0.000 -1.688 0.000) 1.688 8.852 ( 0.000 2.287 0.000) 2.287 9.048 ( 0.000 3.270 0.000) 3.270 9.156 ( 0.000 4.570 0.000) 4.570 9.308 ( 0.000 -1.474 0.000) 1.474 9.308 ( 0.000 -3.336 0.000) 3.336 9.470 ( 0.000 -6.526 0.000) 6.526 9.618 ( 0.000 3.428 0.000) 3.428 9.713 ( 0.000 -18.752 0.000) 18.752 9.851 ( 0.000 8.929 0.000) 8.929 9.959 ( 0.000 4.333 0.000) 4.333 9.978 ( 0.000 -1.833 0.000) 1.833 10.114 ( 0.000 1.573 0.000) 1.573 10.313 ( 0.000 8.497 0.000) 8.497 10.620 ( 0.000 9.768 0.000) 9.768 10.897 ( 0.000 2.897 0.000) 2.897 11.088 ( 0.000 -3.148 0.000) 3.148 11.237 ( 0.000 2.220 0.000) 2.220 11.406 ( 0.000 -1.134 0.000) 1.134 11.483 ( 0.000 4.903 0.000) 4.903 11.871 ( 0.000 3.146 0.000) 3.146 11.966 ( 0.000 16.008 0.000) 16.008 12.266 ( 0.000 4.234 0.000) 4.234 12.532 ( 0.000 -0.433 0.000) 0.433 12.579 ( 0.000 -1.231 0.000) 1.231 12.790 ( 0.000 -4.774 0.000) 4.774 13.143 ( 0.000 -6.667 0.000) 6.667 13.366 ( 0.000 -13.367 0.000) 13.367 13.519 ( 0.000 4.294 0.000) 4.294 13.747 ( 0.000 0.736 0.000) 0.736 13.963 ( 0.000 4.990 0.000) 4.990 14.153 ( 0.000 -2.293 0.000) 2.293 14.261 ( 0.000 7.092 0.000) 7.092 14.310 ( 0.000 -11.210 0.000) 11.210 14.432 ( 0.000 7.494 0.000) 7.494 14.824 ( 0.000 -4.014 0.000) 4.014 15.154 ( 0.000 0.644 0.000) 0.644 15.215 ( 0.000 -8.695 0.000) 8.695 15.549 ( 0.000 0.850 0.000) 0.850 15.617 ( 0.000 -7.370 0.000) 7.370 17.326 ( 0.000 -0.211 0.000) 0.211 17.326 ( 0.000 -0.077 0.000) 0.077 18.198 ( 0.000 1.926 0.000) 1.926 18.311 ( 0.000 -3.852 0.000) 3.852 19.058 ( 0.000 7.399 0.000) 7.399 19.330 ( 0.000 1.207 0.000) 1.207 19.746 ( 0.000 -9.086 0.000) 9.086 19.829 ( 0.000 -8.073 0.000) 8.073 21.915 ( 0.000 2.764 0.000) 2.764 22.135 ( 0.000 -1.568 0.000) 1.568 22.536 ( 0.000 7.996 0.000) 7.996 22.675 ( 0.000 2.692 0.000) 2.692 23.360 ( 0.000 -0.102 0.000) 0.102 23.738 ( 0.000 -8.631 0.000) 8.631 24.015 ( 0.000 7.267 0.000) 7.267 24.292 ( 0.000 1.926 0.000) 1.926 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 15.850 21.346 0.628) 26.595 1.255 ( 5.099 28.621 -1.192) 29.096 2.259 ( 28.244 35.515 0.876) 45.385 2.438 ( -0.936 -4.911 0.416) 5.017 2.523 ( -4.813 2.562 -2.047) 5.824 2.695 ( -0.775 5.811 -0.929) 5.936 2.738 ( -1.211 0.322 2.594) 2.881 2.760 ( 0.901 4.995 1.615) 5.326 2.917 ( 0.172 -1.135 4.843) 4.977 2.985 ( -2.887 -1.624 -0.854) 3.421 3.032 ( 3.480 -0.506 -1.314) 3.755 3.160 ( -1.329 -3.214 -3.406) 4.868 3.307 ( -1.046 2.006 2.471) 3.351 3.326 ( -1.172 -1.634 -1.954) 2.804 3.382 ( 0.587 -1.393 -0.515) 1.597 3.405 ( 0.107 -3.353 -1.059) 3.518 3.515 ( -2.900 -2.488 -2.810) 4.743 3.637 ( 2.885 -1.945 2.354) 4.201 3.683 ( -0.796 -3.599 -0.150) 3.689 3.747 ( 2.556 -3.620 -1.165) 4.582 3.861 ( 5.009 -8.876 -1.082) 10.250 3.937 ( 1.834 -5.384 -5.350) 7.809 4.044 ( 0.663 -1.273 -2.992) 3.319 4.128 ( 4.232 -6.043 8.590) 11.324 4.195 ( 5.682 -2.773 1.979) 6.625 4.490 ( 4.297 3.859 4.367) 7.240 4.584 ( 1.080 0.741 -0.397) 1.368 4.658 ( -2.529 -2.521 -5.257) 6.355 4.740 ( -0.658 0.949 3.242) 3.442 4.876 ( -5.578 4.193 1.501) 7.137 4.978 ( -0.765 -0.893 -1.598) 1.984 5.172 ( -3.405 1.275 0.611) 3.687 5.357 ( -5.886 8.326 -2.252) 10.442 5.483 ( 2.665 -1.812 -4.288) 5.364 5.561 ( -4.103 -0.220 0.689) 4.166 5.858 ( -1.749 -1.518 2.674) 3.538 6.141 ( -0.410 -8.888 -1.068) 8.961 6.159 ( 0.243 -3.961 2.199) 4.536 6.555 ( 0.017 -1.685 -1.082) 2.002 6.853 ( -5.417 -2.938 -1.226) 6.283 7.501 ( -1.350 4.555 -3.743) 6.048 7.664 ( -2.122 -1.398 6.037) 6.550 7.689 ( -2.981 8.327 1.684) 9.003 7.889 ( -2.095 5.363 -2.565) 6.303 7.989 ( 1.142 1.053 3.310) 3.656 8.209 ( -5.627 -4.266 -2.723) 7.568 8.359 ( 2.963 1.250 2.634) 4.157 8.369 ( -5.393 -6.326 -2.474) 8.673 8.496 ( 2.730 -1.363 2.067) 3.685 8.538 ( -3.718 -1.937 -0.186) 4.196 8.610 ( 7.752 -0.502 3.476) 8.511 8.703 ( -2.759 -2.920 -4.848) 6.296 8.804 ( -4.397 6.997 0.341) 8.271 8.974 ( 7.313 -0.370 -1.812) 7.543 9.043 ( 1.546 1.286 -2.208) 2.986 9.109 ( -2.873 3.664 -0.063) 4.656 9.304 ( -3.105 -4.443 0.918) 5.498 9.314 ( 2.266 -8.040 1.829) 8.551 9.441 ( -0.091 -0.777 0.886) 1.182 9.652 ( -1.779 -9.151 -2.970) 9.784 9.752 ( -6.057 8.445 -2.638) 10.722 9.810 ( 6.390 -5.026 -2.118) 8.401 9.868 ( -4.825 -2.774 3.537) 6.594 10.006 ( 2.314 3.907 -1.899) 4.923 10.096 ( 0.416 -2.565 7.462) 7.901 10.425 ( 3.219 6.235 5.543) 8.942 10.607 ( 0.629 9.251 -3.350) 9.859 10.889 ( -0.359 3.400 -5.352) 6.351 11.106 ( 0.161 -5.788 -8.549) 10.325 11.250 ( 5.074 -0.282 -1.230) 5.228 11.393 ( 0.030 1.758 0.850) 1.953 11.638 ( 11.137 5.783 5.469) 13.689 11.893 ( 1.625 4.121 -0.720) 4.487 11.977 ( 0.759 13.465 -0.742) 13.507 12.232 ( -3.350 5.990 1.980) 7.143 12.474 ( -1.718 -0.430 0.833) 1.957 12.666 ( 5.094 -0.179 -4.446) 6.764 12.804 ( -0.314 -4.313 1.734) 4.659 13.036 ( -9.417 -7.472 6.112) 13.486 13.319 ( -2.389 -11.843 -0.492) 12.091 13.542 ( 1.292 3.148 0.269) 3.414 13.724 ( 1.211 -0.782 -0.499) 1.525 13.946 ( -3.254 -3.120 1.100) 4.640 14.125 ( 3.015 4.734 3.483) 6.605 14.249 ( -4.481 -8.635 0.603) 9.747 14.380 ( 6.002 9.538 0.585) 11.284 14.577 ( 11.702 0.638 -2.791) 12.047 14.961 ( 7.474 -1.399 -0.134) 7.605 15.099 ( -0.765 -0.185 -2.152) 2.292 15.273 ( 1.411 -7.128 -1.185) 7.362 15.519 ( -0.534 -0.094 -0.162) 0.566 15.560 ( -5.298 -8.549 1.507) 10.170 17.286 ( -3.099 -0.009 -0.868) 3.218 17.334 ( -0.054 -0.426 0.925) 1.020 18.191 ( -1.006 1.874 0.598) 2.209 18.280 ( -2.689 -2.527 -0.070) 3.691 19.040 ( -1.704 6.814 2.011) 7.306 19.291 ( -3.598 0.917 -1.085) 3.868 19.666 ( -6.940 -7.067 2.583) 10.237 19.807 ( -2.724 -7.524 -2.790) 8.475 21.817 ( -7.338 3.347 0.460) 8.078 22.075 ( -4.597 -2.922 -0.961) 5.532 22.474 ( -3.219 8.797 -0.171) 9.369 22.714 ( -4.993 6.820 1.074) 8.520 23.362 ( 7.181 -1.043 0.763) 7.296 23.733 ( 2.240 -7.735 0.926) 8.105 24.170 ( 10.601 5.336 -0.173) 11.869 24.497 ( 15.758 -5.545 -2.397) 16.876 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 18.707 16.145 8.942) 26.279 1.560 ( 22.308 14.083 -6.961) 27.285 2.403 ( -0.980 -1.918 0.327) 2.178 2.451 ( -3.762 1.572 -1.720) 4.426 2.610 ( -6.534 5.588 -1.376) 8.707 2.660 ( -6.923 4.460 -3.734) 9.042 2.687 ( -2.255 3.738 3.224) 5.427 2.845 ( -6.223 -0.258 2.273) 6.630 2.884 ( 22.940 14.207 2.044) 27.060 2.980 ( 3.079 -2.853 0.119) 4.200 3.104 ( -4.151 -5.751 -2.975) 7.691 3.173 ( 9.228 2.365 2.647) 9.887 3.296 ( 1.921 5.007 -1.847) 5.672 3.307 ( 0.010 -2.561 3.485) 4.325 3.404 ( 1.591 -3.396 -1.508) 4.042 3.449 ( 2.595 -3.270 -0.236) 4.181 3.482 ( 0.858 -2.996 -1.923) 3.662 3.661 ( -0.862 -6.342 1.345) 6.540 3.723 ( 3.505 4.301 2.617) 6.135 3.786 ( 2.204 -1.703 -7.914) 8.390 3.941 ( 1.780 -4.445 -2.490) 5.397 3.966 ( 3.392 -5.774 -2.723) 7.229 4.100 ( 4.545 -1.338 -2.917) 5.564 4.203 ( 2.623 -6.246 8.521) 10.886 4.309 ( 3.846 1.532 2.356) 4.763 4.519 ( -2.533 -2.054 4.458) 5.523 4.596 ( 0.821 -1.219 2.415) 2.827 4.664 ( -1.561 1.698 3.305) 4.030 4.706 ( 3.437 1.997 -5.453) 6.748 4.824 ( 0.643 1.606 1.743) 2.455 4.949 ( -1.877 -0.433 -3.296) 3.818 5.118 ( -2.378 -2.141 0.215) 3.207 5.203 ( -9.618 6.717 -3.239) 12.170 5.410 ( -10.705 3.500 -0.653) 11.282 5.528 ( 2.040 1.120 -2.942) 3.751 5.831 ( -1.208 -1.848 3.028) 3.748 6.141 ( 0.455 -7.554 0.119) 7.568 6.168 ( 0.654 -3.178 1.832) 3.726 6.548 ( -0.726 0.689 -1.736) 2.003 6.758 ( -3.650 0.295 -1.028) 3.803 7.469 ( -1.162 7.850 -3.084) 8.514 7.627 ( -1.539 -0.042 6.028) 6.221 7.683 ( 1.794 8.942 2.777) 9.533 7.862 ( -0.935 6.118 -1.716) 6.423 8.015 ( 1.854 0.212 1.836) 2.618 8.106 ( -4.818 -4.157 -2.817) 6.959 8.237 ( -7.163 -3.742 -3.663) 8.873 8.361 ( -1.692 2.025 1.223) 2.909 8.440 ( -3.602 -5.118 -1.059) 6.347 8.584 ( -5.158 2.352 4.340) 7.140 8.605 ( -1.942 -2.849 0.167) 3.452 8.704 ( -0.981 1.370 -0.940) 1.930 8.812 ( 10.060 0.416 1.613) 10.197 9.027 ( -0.941 -1.928 -5.469) 5.875 9.112 ( 6.047 0.389 3.530) 7.013 9.162 ( 6.253 -3.654 -1.282) 7.355 9.247 ( -0.936 -5.611 1.644) 5.921 9.372 ( 1.827 -7.491 -0.347) 7.718 9.440 ( -1.024 -0.727 -1.609) 2.041 9.568 ( -5.207 -4.595 0.381) 6.955 9.627 ( -5.813 1.037 -0.914) 5.975 9.747 ( -4.898 -5.036 0.304) 7.032 9.922 ( 0.366 -2.383 -1.966) 3.111 10.093 ( 2.578 -2.466 2.638) 4.437 10.126 ( 6.128 3.074 2.930) 7.456 10.420 ( -0.938 1.545 5.513) 5.801 10.641 ( 1.624 9.072 -5.186) 10.575 10.880 ( -0.687 3.860 -3.402) 5.190 11.119 ( 2.052 -3.891 -6.095) 7.516 11.369 ( 3.222 -2.143 4.509) 5.942 11.454 ( 8.602 -2.681 -10.619) 13.926 11.784 ( 1.183 6.463 4.950) 8.226 11.913 ( 0.450 7.998 -0.883) 8.060 12.022 ( 5.916 4.400 2.068) 7.657 12.183 ( -1.373 8.549 7.531) 11.476 12.457 ( -1.810 2.705 -6.389) 7.170 12.712 ( -2.385 -2.688 -2.916) 4.628 12.737 ( -3.477 -4.963 5.590) 8.244 12.890 ( -4.329 -2.693 2.931) 5.881 13.342 ( 4.511 -6.800 -2.279) 8.473 13.546 ( -0.819 4.161 1.345) 4.449 13.809 ( 2.783 -8.794 2.832) 9.649 13.884 ( 0.579 -4.375 -1.553) 4.679 14.117 ( -3.052 -3.080 0.744) 4.399 14.318 ( 11.749 -0.774 0.041) 11.774 14.449 ( -0.723 9.586 2.292) 9.882 14.743 ( 3.964 -1.571 -1.469) 4.510 14.985 ( -1.464 6.135 -0.350) 6.317 15.153 ( 1.013 1.109 -1.515) 2.134 15.254 ( 0.945 -7.580 0.379) 7.648 15.449 ( -5.568 -9.143 0.675) 10.727 15.580 ( 4.821 -4.001 -1.046) 6.352 17.219 ( -3.392 0.456 -0.138) 3.425 17.329 ( -0.352 -1.380 0.126) 1.430 18.153 ( -2.635 1.475 0.475) 3.057 18.233 ( -1.805 0.916 -0.139) 2.029 19.008 ( -1.341 5.594 2.497) 6.271 19.209 ( -4.502 0.267 -1.612) 4.789 19.527 ( -6.625 -3.814 2.040) 7.912 19.731 ( -4.488 -5.565 -2.148) 7.465 21.719 ( -2.226 0.717 0.189) 2.347 21.972 ( -6.086 -4.583 -0.366) 7.627 22.397 ( -4.701 9.102 0.186) 10.246 22.543 ( -9.001 7.055 -0.228) 11.439 23.591 ( 12.573 -2.680 1.543) 12.947 23.822 ( 5.965 -7.649 0.150) 9.701 24.379 ( 10.496 5.037 0.064) 11.642 24.732 ( 7.659 -6.503 -1.956) 10.236 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 21.576 7.675 8.729) 24.508 1.989 ( 20.691 7.749 -4.664) 22.582 2.267 ( -15.912 5.581 -5.827) 17.841 2.374 ( -10.165 2.749 1.555) 10.644 2.447 ( -2.799 1.304 -0.074) 3.089 2.503 ( -5.576 0.525 -1.204) 5.728 2.658 ( 0.753 2.206 -0.184) 2.338 2.739 ( -4.380 4.635 2.021) 6.690 3.014 ( 1.224 -5.328 -1.211) 5.599 3.035 ( -1.733 -8.308 1.105) 8.559 3.196 ( 5.863 4.338 0.565) 7.315 3.285 ( 1.676 0.072 0.241) 1.695 3.330 ( 2.143 -8.625 2.019) 9.114 3.352 ( 1.220 0.521 -0.528) 1.428 3.442 ( 2.282 -4.747 -1.087) 5.378 3.473 ( -0.175 -4.873 -0.501) 4.901 3.592 ( 5.571 2.482 -1.580) 6.300 3.644 ( -1.417 -1.257 1.700) 2.545 3.815 ( 8.782 9.500 2.393) 13.157 3.842 ( 3.515 0.455 -5.558) 6.592 3.946 ( -0.477 -1.354 0.085) 1.438 4.047 ( 4.086 -2.033 -5.132) 6.868 4.171 ( -5.602 -2.359 5.087) 7.926 4.194 ( 2.946 -0.323 0.819) 3.075 4.308 ( -3.494 -2.017 1.337) 4.250 4.463 ( 0.055 -2.674 1.221) 2.940 4.631 ( 1.966 0.037 0.171) 1.974 4.682 ( 3.835 1.107 4.800) 6.243 4.769 ( -0.961 3.963 -3.822) 5.588 4.818 ( -3.994 -1.052 0.811) 4.210 4.941 ( 1.626 0.214 -1.483) 2.211 5.020 ( -1.997 4.389 -0.935) 4.911 5.112 ( -0.294 -1.772 -0.503) 1.865 5.200 ( -9.829 4.158 -0.874) 10.708 5.559 ( 1.064 1.983 -1.026) 2.473 5.812 ( -0.705 -1.582 1.170) 2.090 6.153 ( 0.553 -6.539 0.347) 6.571 6.180 ( 0.405 -2.529 0.762) 2.672 6.534 ( -0.426 2.303 -0.991) 2.543 6.712 ( -1.221 1.195 -0.292) 1.733 7.460 ( 0.039 9.030 -1.029) 9.088 7.614 ( -0.094 2.804 2.953) 4.074 7.745 ( 3.967 6.774 2.022) 8.107 7.844 ( -1.018 6.350 -1.581) 6.623 8.011 ( -3.012 -2.467 -2.557) 4.658 8.049 ( -1.739 -0.381 1.574) 2.377 8.113 ( -3.013 1.095 -0.983) 3.353 8.359 ( 2.109 -0.895 -3.169) 3.910 8.400 ( 0.735 -6.982 0.520) 7.040 8.444 ( -6.402 1.765 2.804) 7.209 8.512 ( -5.777 -4.757 -0.806) 7.527 8.793 ( 5.386 -1.742 3.110) 6.459 8.958 ( 4.129 -0.175 0.234) 4.140 9.027 ( 0.628 -2.380 -1.328) 2.797 9.193 ( 1.462 -4.240 1.626) 4.770 9.244 ( 2.190 -2.964 1.797) 4.100 9.308 ( -2.052 2.380 -5.308) 6.168 9.326 ( 3.969 4.503 -1.999) 6.326 9.435 ( -1.714 -11.847 -0.129) 11.971 9.479 ( -2.340 -6.028 1.700) 6.686 9.533 ( -3.613 -6.984 1.337) 7.976 9.679 ( -1.931 -5.595 0.345) 5.929 9.914 ( -0.236 -2.671 -1.215) 2.944 10.092 ( -0.614 -4.609 2.139) 5.118 10.248 ( 3.472 4.756 -0.393) 5.902 10.427 ( 1.024 1.765 2.333) 3.100 10.658 ( 0.456 6.164 -2.662) 6.729 10.861 ( -0.875 4.121 -0.635) 4.260 11.169 ( 2.205 0.008 -1.021) 2.430 11.416 ( 1.900 2.626 1.554) 3.595 11.601 ( 4.575 -9.824 -10.897) 15.368 11.755 ( -2.019 -3.348 3.487) 5.239 11.920 ( 0.468 12.062 -0.126) 12.072 12.130 ( -2.281 -5.954 7.317) 9.705 12.182 ( 8.154 8.633 7.702) 14.154 12.378 ( -7.668 1.359 -11.063) 13.529 12.628 ( 0.485 6.621 2.645) 7.146 12.774 ( 2.544 -3.373 -0.189) 4.229 12.812 ( -4.322 1.687 0.658) 4.686 13.441 ( 4.643 -1.131 -0.214) 4.783 13.515 ( -2.522 5.066 -0.297) 5.667 13.734 ( -3.931 -18.540 0.257) 18.954 14.011 ( 5.456 1.852 1.540) 5.964 14.149 ( 5.462 0.214 -2.367) 5.957 14.339 ( -7.282 5.281 1.979) 9.211 14.565 ( 10.926 -2.426 2.739) 11.523 14.724 ( -5.205 -0.593 -3.504) 6.303 14.970 ( -2.542 -8.827 -3.122) 9.702 15.117 ( 4.074 2.692 5.335) 7.233 15.284 ( -7.125 -2.010 -1.277) 7.512 15.409 ( 4.444 -3.007 -0.030) 5.366 15.639 ( 1.012 -4.265 -0.938) 4.483 17.171 ( -1.315 0.821 0.068) 1.552 17.323 ( -0.211 -2.249 -0.064) 2.260 18.112 ( -1.179 2.335 0.140) 2.619 18.208 ( -0.788 2.629 -0.091) 2.746 18.997 ( 0.058 4.652 1.389) 4.856 19.135 ( -2.457 0.070 -1.042) 2.670 19.436 ( -2.499 -1.794 0.820) 3.184 19.659 ( -2.248 -3.986 -0.822) 4.650 21.728 ( 2.552 -1.899 0.051) 3.182 21.851 ( -5.682 -4.660 -0.077) 7.349 22.325 ( -2.018 7.750 0.050) 8.009 22.418 ( -3.557 5.191 -0.134) 6.294 23.771 ( 5.123 -2.764 0.687) 5.861 23.917 ( 2.948 -7.207 -0.054) 7.787 24.542 ( 5.218 3.824 0.107) 6.471 24.806 ( 0.980 -3.255 -0.777) 3.487 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 24.803 0.000) 24.803 1.810 ( 0.000 26.930 0.000) 26.930 2.251 ( 0.000 -14.850 0.000) 14.850 2.566 ( 0.000 -9.585 0.000) 9.585 2.651 ( 0.000 20.997 0.000) 20.997 2.715 ( 0.000 4.768 0.000) 4.768 2.809 ( 0.000 4.156 0.000) 4.156 2.872 ( 0.000 18.541 0.000) 18.541 2.926 ( 0.000 -4.431 0.000) 4.431 2.983 ( 0.000 4.087 0.000) 4.087 3.039 ( 0.000 2.072 0.000) 2.072 3.187 ( 0.000 -5.427 0.000) 5.427 3.216 ( 0.000 1.814 0.000) 1.814 3.319 ( 0.000 -6.735 0.000) 6.735 3.321 ( 0.000 -2.121 0.000) 2.121 3.420 ( 0.000 7.987 0.000) 7.987 3.568 ( 0.000 -4.074 0.000) 4.074 3.583 ( 0.000 -1.941 0.000) 1.941 3.593 ( 0.000 -11.805 0.000) 11.805 3.648 ( 0.000 3.949 0.000) 3.949 3.722 ( 0.000 5.087 0.000) 5.087 3.816 ( 0.000 -4.503 0.000) 4.503 3.905 ( 0.000 -11.554 0.000) 11.554 4.037 ( 0.000 -1.406 0.000) 1.406 4.039 ( 0.000 -2.074 0.000) 2.074 4.406 ( 0.000 -21.129 0.000) 21.129 4.526 ( 0.000 3.601 0.000) 3.601 4.608 ( 0.000 0.952 0.000) 0.952 4.848 ( 0.000 6.583 0.000) 6.583 4.955 ( 0.000 -1.319 0.000) 1.319 5.081 ( 0.000 7.801 0.000) 7.801 5.291 ( 0.000 2.152 0.000) 2.152 5.343 ( 0.000 -5.725 0.000) 5.725 5.489 ( 0.000 -6.906 0.000) 6.906 5.603 ( 0.000 9.975 0.000) 9.975 5.858 ( 0.000 -2.247 0.000) 2.247 6.028 ( 0.000 -2.768 0.000) 2.768 6.076 ( 0.000 -4.115 0.000) 4.115 6.534 ( 0.000 1.037 0.000) 1.037 6.758 ( 0.000 -9.593 0.000) 9.593 7.555 ( 0.000 3.142 0.000) 3.142 7.640 ( 0.000 -0.952 0.000) 0.952 7.911 ( 0.000 -0.792 0.000) 0.792 7.922 ( 0.000 3.769 0.000) 3.769 8.074 ( 0.000 8.344 0.000) 8.344 8.253 ( 0.000 -2.824 0.000) 2.824 8.283 ( 0.000 -3.047 0.000) 3.047 8.290 ( 0.000 0.523 0.000) 0.523 8.453 ( 0.000 -1.892 0.000) 1.892 8.454 ( 0.000 -3.725 0.000) 3.725 8.678 ( 0.000 1.296 0.000) 1.296 8.729 ( 0.000 1.607 0.000) 1.607 8.844 ( 0.000 2.515 0.000) 2.515 8.899 ( 0.000 2.587 0.000) 2.587 9.023 ( 0.000 -3.619 0.000) 3.619 9.215 ( 0.000 -9.869 0.000) 9.869 9.245 ( 0.000 2.578 0.000) 2.578 9.334 ( 0.000 5.318 0.000) 5.318 9.357 ( 0.000 -7.617 0.000) 7.617 9.450 ( 0.000 -4.641 0.000) 4.641 9.738 ( 0.000 7.940 0.000) 7.940 9.881 ( 0.000 -3.911 0.000) 3.911 9.905 ( 0.000 -2.607 0.000) 2.607 9.992 ( 0.000 -1.028 0.000) 1.028 10.259 ( 0.000 9.999 0.000) 9.999 10.462 ( 0.000 5.276 0.000) 5.276 10.765 ( 0.000 5.533 0.000) 5.533 10.939 ( 0.000 -8.263 0.000) 8.263 10.973 ( 0.000 5.077 0.000) 5.077 11.206 ( 0.000 -5.860 0.000) 5.860 11.510 ( 0.000 8.045 0.000) 8.045 11.561 ( 0.000 3.092 0.000) 3.092 11.971 ( 0.000 8.409 0.000) 8.409 12.181 ( 0.000 6.411 0.000) 6.411 12.412 ( 0.000 9.221 0.000) 9.221 12.553 ( 0.000 -1.596 0.000) 1.596 12.558 ( 0.000 2.437 0.000) 2.437 12.659 ( 0.000 -8.382 0.000) 8.382 13.024 ( 0.000 -5.388 0.000) 5.388 13.096 ( 0.000 -12.680 0.000) 12.680 13.597 ( 0.000 3.904 0.000) 3.904 13.802 ( 0.000 5.021 0.000) 5.021 13.873 ( 0.000 -9.838 0.000) 9.838 14.077 ( 0.000 -9.090 0.000) 9.090 14.323 ( 0.000 9.918 0.000) 9.918 14.365 ( 0.000 4.558 0.000) 4.558 14.626 ( 0.000 11.881 0.000) 11.881 14.759 ( 0.000 -1.777 0.000) 1.777 15.025 ( 0.000 -11.200 0.000) 11.200 15.062 ( 0.000 -9.338 0.000) 9.338 15.542 ( 0.000 -0.949 0.000) 0.949 15.555 ( 0.000 -0.228 0.000) 0.228 17.324 ( 0.000 0.212 0.000) 0.212 17.331 ( 0.000 0.110 0.000) 0.110 18.215 ( 0.000 0.130 0.000) 0.130 18.248 ( 0.000 -2.590 0.000) 2.590 19.208 ( 0.000 7.922 0.000) 7.922 19.344 ( 0.000 0.243 0.000) 0.243 19.601 ( 0.000 -5.661 0.000) 5.661 19.675 ( 0.000 -7.891 0.000) 7.891 21.977 ( 0.000 3.585 0.000) 3.585 22.097 ( 0.000 -2.451 0.000) 2.451 22.668 ( 0.000 5.504 0.000) 5.504 22.722 ( 0.000 1.879 0.000) 1.879 23.373 ( 0.000 1.932 0.000) 1.932 23.576 ( 0.000 -8.199 0.000) 8.199 24.152 ( 0.000 6.783 0.000) 6.783 24.304 ( 0.000 -0.859 0.000) 0.859 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 10.163 21.941 -0.445) 24.184 1.787 ( -0.089 26.912 -0.057) 26.912 2.268 ( 1.647 -12.629 -0.476) 12.745 2.503 ( -4.120 -6.523 0.393) 7.725 2.729 ( 3.293 2.349 -2.391) 4.699 2.774 ( 2.876 6.468 1.507) 7.237 2.832 ( 4.261 5.587 3.384) 7.799 2.888 ( -3.477 0.049 4.248) 5.490 2.923 ( 0.270 12.934 0.196) 12.938 2.972 ( -5.862 0.427 -0.848) 5.939 3.016 ( 5.023 3.523 -3.982) 7.315 3.091 ( -3.279 -1.915 -3.247) 4.996 3.287 ( 2.956 -2.970 -1.610) 4.489 3.321 ( 1.434 -2.081 0.144) 2.531 3.354 ( 1.159 -2.015 -1.796) 2.937 3.396 ( -0.149 7.316 1.756) 7.526 3.550 ( -4.965 3.794 -1.393) 6.402 3.579 ( -0.427 -3.778 2.386) 4.489 3.632 ( 2.784 -7.859 -1.578) 8.485 3.660 ( 8.023 1.263 1.244) 8.216 3.793 ( 5.119 3.275 0.542) 6.101 3.828 ( 1.470 -5.804 -2.919) 6.661 3.956 ( 4.751 -10.325 5.471) 12.613 4.028 ( 1.279 -0.618 -1.227) 1.877 4.159 ( 8.828 -1.960 2.026) 9.267 4.418 ( 0.461 -16.240 0.385) 16.251 4.560 ( 3.060 2.877 3.368) 5.384 4.619 ( 1.305 0.584 -1.860) 2.346 4.841 ( -0.450 5.336 -0.541) 5.383 4.944 ( -1.979 0.457 -0.760) 2.169 4.992 ( -7.028 4.378 -2.950) 8.789 5.153 ( -7.588 -2.462 2.310) 8.305 5.418 ( -0.458 -1.521 -5.364) 5.595 5.474 ( -0.493 -1.998 -1.696) 2.667 5.603 ( -0.525 6.967 3.375) 7.759 5.819 ( -3.165 -2.645 2.301) 4.723 6.034 ( 0.731 -2.352 0.074) 2.464 6.085 ( 0.910 -3.749 0.945) 3.972 6.546 ( 1.158 1.165 -1.343) 2.122 6.738 ( -1.783 -7.763 -1.218) 8.057 7.575 ( 1.334 3.681 -1.754) 4.290 7.650 ( 0.893 0.667 1.957) 2.252 7.858 ( -3.242 5.355 3.952) 7.403 7.925 ( 0.868 -0.665 -0.892) 1.411 8.031 ( -3.291 3.597 0.803) 4.941 8.209 ( -3.569 4.261 -2.371) 6.043 8.262 ( -4.434 -5.435 -3.122) 7.677 8.359 ( 4.016 0.532 4.194) 5.831 8.436 ( 2.739 -3.612 -0.743) 4.594 8.510 ( -0.160 -2.898 1.499) 3.267 8.642 ( 0.497 2.672 -0.513) 2.766 8.666 ( -3.646 1.396 -1.650) 4.239 8.862 ( -0.928 -0.897 0.882) 1.564 8.947 ( 1.435 -2.239 -3.900) 4.721 9.033 ( 0.766 -2.183 -1.107) 2.564 9.159 ( -5.225 0.952 1.823) 5.615 9.174 ( -2.736 -9.051 3.398) 10.047 9.286 ( -2.429 3.604 1.631) 4.642 9.360 ( -1.131 -6.195 -7.055) 9.457 9.514 ( 4.772 -0.873 1.423) 5.055 9.800 ( -3.915 -2.053 5.035) 6.700 9.843 ( 4.617 5.007 -0.148) 6.812 9.923 ( -0.999 4.412 -0.989) 4.630 10.013 ( 1.183 -2.946 -1.070) 3.350 10.095 ( -6.277 4.300 3.307) 8.296 10.448 ( -6.030 -5.209 5.011) 9.413 10.788 ( 4.132 10.300 -6.601) 12.913 10.949 ( -0.422 2.837 -7.848) 8.356 11.039 ( 4.258 -0.869 -2.271) 4.903 11.180 ( 0.571 -5.528 2.622) 6.145 11.511 ( 0.054 8.262 -2.179) 8.544 11.704 ( 11.690 0.759 5.317) 12.865 11.989 ( 1.892 5.964 1.216) 6.373 12.122 ( -7.115 2.727 -3.070) 8.215 12.419 ( 0.387 11.116 2.552) 11.412 12.520 ( 3.094 5.316 -0.438) 6.167 12.646 ( 3.296 -2.752 -3.446) 5.506 12.720 ( 2.106 -3.032 4.143) 5.549 12.910 ( -8.959 -5.514 3.419) 11.061 13.043 ( -1.778 -15.043 -2.492) 15.351 13.592 ( -0.263 1.797 0.465) 1.874 13.772 ( -1.545 1.609 -3.120) 3.835 13.821 ( -3.715 -4.992 4.601) 7.739 14.061 ( -0.617 -7.086 4.273) 8.298 14.323 ( 0.203 10.212 -3.325) 10.742 14.497 ( 8.701 2.748 -2.366) 9.427 14.688 ( 5.347 10.309 0.705) 11.634 14.908 ( 11.679 -3.107 -0.329) 12.090 15.007 ( 2.897 -7.942 -0.429) 8.464 15.118 ( 1.323 -10.007 0.042) 10.095 15.467 ( -7.015 -1.174 0.547) 7.133 15.505 ( -3.799 -1.279 -0.383) 4.026 17.293 ( -2.632 0.733 -0.295) 2.748 17.324 ( -0.932 -0.626 0.313) 1.166 18.206 ( -1.160 0.180 -0.159) 1.184 18.240 ( -0.324 -1.657 1.012) 1.968 19.178 ( -2.845 7.179 0.423) 7.734 19.301 ( -3.994 0.095 -0.998) 4.118 19.554 ( -4.065 -4.051 0.844) 5.800 19.661 ( -1.672 -7.629 -0.596) 7.833 21.889 ( -7.431 4.032 0.310) 8.460 22.022 ( -6.168 -2.913 -0.495) 6.840 22.626 ( -2.591 7.202 -0.425) 7.666 22.776 ( -1.989 0.263 0.283) 2.026 23.378 ( 4.698 2.620 0.600) 5.412 23.584 ( 2.611 -7.622 0.994) 8.118 24.274 ( 9.979 5.391 -0.379) 11.349 24.428 ( 10.928 -2.954 -1.043) 11.368 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 13.563 17.076 5.887) 22.588 1.877 ( 10.616 20.052 -4.884) 23.208 2.311 ( 2.762 -7.791 -0.536) 8.283 2.452 ( -1.017 -4.028 -0.069) 4.154 2.681 ( -10.066 3.241 -2.571) 10.883 2.745 ( -9.898 2.407 -0.913) 10.228 2.761 ( -2.375 3.628 3.038) 5.295 2.836 ( -1.648 -0.901 -2.681) 3.274 2.924 ( 0.325 0.928 4.925) 5.022 2.970 ( -5.585 -6.021 -5.055) 9.643 3.018 ( 7.095 -4.720 3.509) 9.216 3.152 ( 3.080 -1.049 -2.342) 4.008 3.311 ( 0.362 1.790 -2.839) 3.376 3.337 ( -2.513 -3.071 2.363) 4.619 3.359 ( 1.939 -0.082 3.096) 3.654 3.490 ( -0.821 5.082 -4.160) 6.619 3.502 ( 6.088 3.655 -1.252) 7.211 3.614 ( 7.441 2.849 2.406) 8.323 3.680 ( 2.078 -5.369 -1.061) 5.854 3.840 ( 8.174 2.187 -1.483) 8.590 3.875 ( 4.141 -1.488 -1.801) 4.755 3.914 ( 7.236 2.641 1.289) 7.810 4.069 ( 5.438 -4.180 3.367) 7.641 4.089 ( 5.691 -2.505 2.577) 6.731 4.304 ( 3.832 -1.927 1.141) 4.439 4.401 ( -1.993 -8.654 1.661) 9.034 4.609 ( 1.324 1.739 3.456) 4.089 4.667 ( 3.122 -0.627 -0.605) 3.241 4.813 ( -4.198 7.280 -0.656) 8.430 4.856 ( -0.122 1.647 0.679) 1.786 4.940 ( -0.765 -1.058 -6.774) 6.898 5.046 ( -3.148 -4.844 0.698) 5.819 5.313 ( -8.381 4.216 -2.793) 9.789 5.415 ( -7.184 -2.394 -2.864) 8.095 5.588 ( -0.307 5.174 2.047) 5.572 5.771 ( -1.812 -4.063 3.026) 5.380 6.058 ( 1.675 -1.425 0.446) 2.244 6.110 ( 1.539 -2.908 1.491) 3.612 6.569 ( 0.978 1.771 -2.067) 2.893 6.705 ( -1.259 -4.638 -1.634) 5.076 7.589 ( 0.829 4.877 -0.828) 5.016 7.662 ( -0.010 2.941 3.703) 4.729 7.851 ( 1.981 6.298 3.194) 7.334 7.957 ( -1.037 3.888 -3.512) 5.341 7.971 ( 0.365 -3.046 1.227) 3.304 8.139 ( -4.201 1.743 2.183) 5.045 8.158 ( -3.977 1.196 -6.631) 7.824 8.371 ( -2.230 -1.457 4.682) 5.387 8.406 ( -4.683 1.701 -2.078) 5.399 8.537 ( -5.150 -2.898 0.261) 5.915 8.567 ( 2.151 0.170 -0.627) 2.247 8.765 ( 1.790 -3.543 0.352) 3.985 8.778 ( -0.558 -2.149 1.938) 2.947 8.908 ( -2.035 -11.301 -5.256) 12.628 9.048 ( -0.122 -3.393 0.080) 3.396 9.123 ( 1.122 1.700 1.973) 2.835 9.161 ( 1.959 -4.903 1.797) 5.577 9.273 ( -1.527 3.012 -3.768) 5.060 9.346 ( 2.367 -6.755 -0.092) 7.159 9.583 ( 0.357 -2.586 2.857) 3.870 9.699 ( -5.387 5.235 3.771) 8.405 9.750 ( -8.303 7.458 1.474) 11.257 9.887 ( -4.454 -1.656 -3.938) 6.172 10.037 ( -1.026 -5.068 4.751) 7.022 10.170 ( 10.615 1.608 -0.627) 10.755 10.371 ( -0.361 -5.898 1.302) 6.051 10.812 ( -1.296 9.034 -8.579) 12.526 10.934 ( -0.660 1.936 -2.739) 3.419 11.114 ( 4.240 2.609 -1.981) 5.358 11.273 ( 7.992 -6.482 0.920) 10.331 11.502 ( -1.031 7.522 -4.190) 8.672 11.904 ( 1.230 5.932 5.824) 8.404 11.944 ( -3.359 -9.149 -0.455) 9.756 12.043 ( 2.467 3.692 -0.648) 4.488 12.374 ( -7.342 9.386 6.753) 13.697 12.587 ( -3.825 3.920 -7.044) 8.923 12.637 ( 4.488 1.718 6.290) 7.916 12.685 ( -1.795 0.361 3.722) 4.148 12.863 ( 3.131 -1.874 -2.067) 4.194 13.116 ( 6.765 -15.733 -2.890) 17.368 13.592 ( -0.991 -0.599 5.164) 5.292 13.681 ( -4.099 -5.230 -6.104) 9.023 13.866 ( 6.444 5.186 1.968) 8.503 14.084 ( 3.431 -2.815 1.398) 4.653 14.355 ( 3.508 5.165 -1.203) 6.358 14.578 ( -0.532 1.513 -0.329) 1.637 14.746 ( -0.411 3.629 0.027) 3.652 15.013 ( -8.190 -4.825 -2.024) 9.719 15.103 ( 3.489 -2.008 4.495) 6.034 15.174 ( 11.409 -3.562 -0.131) 11.953 15.333 ( -5.008 -1.068 -0.748) 5.175 15.484 ( 2.305 -5.691 -1.958) 6.445 17.236 ( -2.935 1.307 -0.013) 3.213 17.299 ( -1.463 -1.773 -0.003) 2.298 18.178 ( -1.293 1.568 0.117) 2.036 18.239 ( -0.068 -0.610 0.978) 1.154 19.118 ( -2.816 5.526 0.896) 6.267 19.212 ( -4.682 -0.061 -1.675) 4.973 19.471 ( -4.002 -1.340 0.924) 4.320 19.613 ( -2.944 -6.674 -0.571) 7.317 21.760 ( -4.910 3.160 0.157) 5.841 21.894 ( -6.634 -3.805 -0.162) 7.649 22.542 ( -5.757 6.236 -0.186) 8.489 22.632 ( -9.562 2.193 -0.230) 9.813 23.565 ( 11.379 0.100 1.040) 11.427 23.688 ( 6.979 -6.210 0.449) 9.353 24.472 ( 9.651 4.729 -0.188) 10.749 24.633 ( 8.863 -4.377 -1.054) 9.941 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 14.514 12.189 9.370) 21.143 2.146 ( 13.439 8.958 -5.743) 17.142 2.350 ( -3.411 -0.738 -4.690) 5.846 2.413 ( -5.131 5.268 -1.842) 7.581 2.467 ( -6.100 -0.601 0.115) 6.131 2.545 ( -8.565 3.626 0.561) 9.318 2.695 ( -1.965 0.303 2.944) 3.553 2.841 ( -4.720 -10.924 -0.927) 11.936 2.857 ( 0.929 5.631 -2.532) 6.243 2.920 ( -0.945 -2.099 1.665) 2.841 3.125 ( 3.209 -9.111 1.459) 9.769 3.196 ( 1.547 -6.159 -0.332) 6.359 3.285 ( -1.449 -1.841 -0.215) 2.353 3.319 ( -0.254 -4.329 0.383) 4.354 3.403 ( 2.271 4.239 2.572) 5.453 3.471 ( -1.245 4.978 -3.219) 6.058 3.549 ( 0.925 -0.287 -0.402) 1.049 3.711 ( 1.136 -4.846 -0.549) 5.008 3.802 ( 7.219 1.409 0.406) 7.367 3.891 ( -0.070 -3.815 -1.720) 4.185 3.996 ( 4.255 -0.657 -4.055) 5.914 4.063 ( 6.632 11.444 3.417) 13.661 4.135 ( 0.196 -0.833 1.258) 1.521 4.197 ( 4.202 0.818 2.570) 4.993 4.288 ( -4.267 -1.414 0.254) 4.502 4.384 ( 1.668 -5.357 2.637) 6.199 4.637 ( 1.536 0.443 0.320) 1.630 4.682 ( 0.055 -1.477 1.089) 1.836 4.798 ( -0.303 2.304 -2.832) 3.664 4.874 ( 0.643 3.873 0.458) 3.952 4.955 ( 3.263 0.315 -2.056) 3.869 5.027 ( -0.780 -2.158 -0.285) 2.312 5.152 ( -4.193 4.734 -0.477) 6.342 5.245 ( -9.062 0.445 -1.374) 9.176 5.590 ( 0.253 1.879 0.514) 1.965 5.743 ( -1.017 -5.139 1.139) 5.361 6.088 ( 1.020 -0.800 0.350) 1.342 6.136 ( 0.834 -2.181 0.782) 2.462 6.580 ( 0.305 2.610 -1.158) 2.871 6.689 ( -0.411 -2.763 -0.727) 2.886 7.624 ( 2.033 7.006 -0.190) 7.297 7.666 ( 0.600 3.111 2.995) 4.360 7.879 ( 0.587 4.821 1.126) 4.986 7.905 ( -2.433 0.476 -0.100) 2.481 7.992 ( 0.140 0.617 -3.747) 3.800 8.077 ( -1.122 -3.934 -0.557) 4.128 8.108 ( -3.301 6.399 0.482) 7.216 8.297 ( -1.139 -2.586 -0.914) 2.970 8.372 ( 2.185 2.553 0.779) 3.450 8.463 ( -1.759 -0.364 0.859) 1.991 8.516 ( -9.131 3.768 -0.276) 9.882 8.700 ( 1.825 -7.039 0.526) 7.290 8.911 ( 4.059 -6.377 0.710) 7.593 8.920 ( 2.088 -9.388 -1.383) 9.717 9.050 ( 0.437 -5.037 0.539) 5.084 9.136 ( 0.166 -0.805 0.938) 1.247 9.226 ( -0.022 -5.382 -2.112) 5.782 9.271 ( 5.401 -4.639 -0.235) 7.124 9.383 ( -0.430 -3.870 -0.050) 3.895 9.495 ( -6.299 0.188 -0.908) 6.366 9.581 ( -5.492 8.732 3.691) 10.956 9.661 ( -1.709 2.818 2.058) 3.886 9.838 ( 0.171 -3.164 -2.633) 4.119 10.012 ( -1.272 -4.902 1.569) 5.302 10.330 ( 4.478 2.457 -0.704) 5.156 10.397 ( 1.681 -3.288 1.286) 3.911 10.780 ( -1.080 7.213 -4.356) 8.495 10.924 ( -0.363 1.755 -0.695) 1.922 11.204 ( 4.279 3.950 2.259) 6.246 11.422 ( 2.626 -7.747 -6.371) 10.369 11.496 ( 4.400 5.217 0.634) 6.854 11.730 ( -8.966 -1.224 -1.610) 9.192 12.007 ( 0.552 -4.509 8.197) 9.371 12.052 ( -1.849 0.088 -1.460) 2.357 12.259 ( -0.849 6.475 1.026) 6.611 12.475 ( -4.800 1.670 0.252) 5.089 12.710 ( 2.386 -0.484 0.318) 2.456 12.777 ( 7.195 7.717 3.826) 11.223 12.881 ( -2.490 3.933 -4.357) 6.376 13.202 ( 1.524 -20.197 -0.423) 20.259 13.562 ( -0.264 1.334 2.311) 2.682 13.652 ( -0.608 3.611 -2.972) 4.715 14.013 ( 6.509 3.316 0.492) 7.322 14.201 ( 8.523 0.585 -0.447) 8.555 14.372 ( -6.251 1.285 0.453) 6.398 14.571 ( 5.070 0.751 1.403) 5.313 14.708 ( -3.120 -1.713 -0.379) 3.579 14.779 ( -11.371 -8.940 -2.240) 14.637 15.167 ( 3.058 1.929 4.414) 5.705 15.233 ( -3.589 -2.538 -0.749) 4.459 15.387 ( 6.227 0.669 -0.698) 6.302 15.535 ( 1.511 -6.146 -1.775) 6.574 17.194 ( -1.154 1.627 0.065) 1.996 17.277 ( -0.672 -2.555 -0.076) 2.643 18.163 ( -0.286 2.951 0.121) 2.967 18.235 ( -0.261 0.123 0.373) 0.472 19.085 ( -0.573 4.103 0.904) 4.240 19.139 ( -2.358 0.253 -1.261) 2.686 19.415 ( -1.629 0.149 0.425) 1.690 19.565 ( -1.559 -5.812 -0.255) 6.023 21.717 ( 0.340 0.474 0.043) 0.585 21.780 ( -4.650 -2.879 -0.003) 5.469 22.446 ( -3.046 4.863 -0.077) 5.739 22.491 ( -4.068 2.374 -0.108) 4.711 23.732 ( 4.868 -1.091 0.467) 5.010 23.799 ( 3.402 -4.970 0.077) 6.023 24.614 ( 4.253 3.766 -0.042) 5.680 24.745 ( 2.681 -3.266 -0.427) 4.247 ======================= Grid point 28 (17/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 -21.560 0.000) 21.560 1.903 ( 0.000 21.560 0.000) 21.560 2.262 ( 0.000 -20.686 0.000) 20.686 2.262 ( 0.000 20.686 0.000) 20.686 2.788 ( 0.000 -0.831 0.000) 0.831 2.788 ( 0.000 0.831 0.000) 0.831 2.852 ( 0.000 -2.576 0.000) 2.576 2.852 ( 0.000 2.576 0.000) 2.576 3.057 ( 0.000 -0.898 0.000) 0.898 3.057 ( 0.000 0.899 0.000) 0.899 3.164 ( 0.000 -5.088 0.000) 5.088 3.164 ( 0.000 5.088 0.000) 5.088 3.281 ( 0.000 -0.477 0.000) 0.477 3.281 ( 0.000 0.477 0.000) 0.477 3.310 ( 0.000 -16.968 0.000) 16.968 3.310 ( 0.000 16.968 0.000) 16.968 3.522 ( 0.000 -1.715 0.000) 1.715 3.522 ( 0.000 1.715 0.000) 1.715 3.671 ( 0.000 -9.615 0.000) 9.615 3.671 ( 0.000 9.615 0.000) 9.615 3.739 ( 0.000 -2.167 0.000) 2.167 3.739 ( 0.000 2.167 0.000) 2.167 3.968 ( 0.000 -20.328 0.000) 20.328 3.968 ( 0.000 20.328 0.000) 20.328 4.023 ( 0.000 -0.879 0.000) 0.879 4.023 ( 0.000 0.879 0.000) 0.879 4.593 ( 0.000 -2.557 0.000) 2.557 4.593 ( 0.000 2.557 0.000) 2.557 4.927 ( 0.000 -2.119 0.000) 2.119 4.927 ( 0.000 2.119 0.000) 2.119 5.224 ( 0.000 -7.080 0.000) 7.080 5.224 ( 0.000 7.080 0.000) 7.080 5.359 ( 0.000 -5.804 0.000) 5.804 5.359 ( 0.000 5.804 0.000) 5.804 5.771 ( 0.000 -7.200 0.000) 7.200 5.771 ( 0.000 7.200 0.000) 7.200 6.021 ( 0.000 -1.459 0.000) 1.459 6.021 ( 0.000 1.459 0.000) 1.459 6.602 ( 0.000 -6.254 0.000) 6.254 6.602 ( 0.000 6.254 0.000) 6.254 7.613 ( 0.000 -2.444 0.000) 2.444 7.613 ( 0.000 2.444 0.000) 2.444 7.918 ( 0.000 -1.480 0.000) 1.480 7.918 ( 0.000 1.480 0.000) 1.480 8.218 ( 0.000 -2.743 0.000) 2.743 8.218 ( 0.000 2.743 0.000) 2.743 8.268 ( 0.000 -2.973 0.000) 2.973 8.268 ( 0.000 2.973 0.000) 2.973 8.413 ( 0.000 -1.021 0.000) 1.021 8.413 ( 0.000 1.021 0.000) 1.021 8.729 ( 0.000 -2.130 0.000) 2.130 8.729 ( 0.000 2.130 0.000) 2.130 8.936 ( 0.000 -1.030 0.000) 1.030 8.936 ( 0.000 1.030 0.000) 1.030 8.993 ( 0.000 -7.364 0.000) 7.364 8.993 ( 0.000 7.364 0.000) 7.364 9.274 ( 0.000 -1.778 0.000) 1.778 9.274 ( 0.000 1.778 0.000) 1.778 9.417 ( 0.000 -2.222 0.000) 2.222 9.417 ( 0.000 2.222 0.000) 2.222 9.831 ( 0.000 -3.239 0.000) 3.239 9.831 ( 0.000 3.239 0.000) 3.239 9.920 ( 0.000 -6.031 0.000) 6.031 9.920 ( 0.000 6.031 0.000) 6.031 10.437 ( 0.000 -7.392 0.000) 7.392 10.437 ( 0.000 7.392 0.000) 7.392 10.838 ( 0.000 -3.092 0.000) 3.092 10.838 ( 0.000 3.092 0.000) 3.092 11.083 ( 0.000 -6.502 0.000) 6.502 11.083 ( 0.000 6.502 0.000) 6.502 11.590 ( 0.000 -0.539 0.000) 0.539 11.590 ( 0.000 0.539 0.000) 0.539 12.169 ( 0.000 -9.006 0.000) 9.006 12.169 ( 0.000 9.006 0.000) 9.006 12.513 ( 0.000 -5.177 0.000) 5.177 12.513 ( 0.000 5.177 0.000) 5.177 12.576 ( 0.000 -2.000 0.000) 2.000 12.576 ( 0.000 2.001 0.000) 2.001 12.969 ( 0.000 -0.713 0.000) 0.713 12.969 ( 0.000 0.713 0.000) 0.713 13.696 ( 0.000 -7.540 0.000) 7.540 13.696 ( 0.000 7.540 0.000) 7.540 13.923 ( 0.000 -7.419 0.000) 7.419 13.923 ( 0.000 7.419 0.000) 7.419 14.424 ( 0.000 -0.333 0.000) 0.333 14.424 ( 0.000 0.333 0.000) 0.333 14.817 ( 0.000 -6.359 0.000) 6.359 14.817 ( 0.000 6.359 0.000) 6.359 14.859 ( 0.000 -9.568 0.000) 9.568 14.859 ( 0.000 9.568 0.000) 9.568 15.545 ( 0.000 -0.636 0.000) 0.636 15.545 ( 0.000 0.636 0.000) 0.636 17.329 ( 0.000 -0.251 0.000) 0.251 17.329 ( 0.000 0.251 0.000) 0.251 18.218 ( 0.000 -0.599 0.000) 0.599 18.218 ( 0.000 0.599 0.000) 0.599 19.324 ( 0.000 -3.401 0.000) 3.401 19.324 ( 0.000 3.401 0.000) 3.401 19.564 ( 0.000 -2.513 0.000) 2.513 19.564 ( 0.000 2.513 0.000) 2.513 22.043 ( 0.000 -3.268 0.000) 3.268 22.043 ( 0.000 3.268 0.000) 3.268 22.732 ( 0.000 -1.207 0.000) 1.207 22.732 ( 0.000 1.207 0.000) 1.207 23.443 ( 0.000 -5.570 0.000) 5.570 23.443 ( 0.000 5.570 0.000) 5.570 24.257 ( 0.000 -4.146 0.000) 4.146 24.257 ( 0.000 4.146 0.000) 4.146 ======================= Grid point 30 (18/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 5.664 -19.216 -0.825) 20.051 1.959 ( 5.664 19.216 -0.825) 20.051 2.240 ( -1.350 -20.034 0.591) 20.088 2.240 ( -1.350 20.034 0.591) 20.088 2.785 ( 0.574 -2.705 -0.747) 2.864 2.785 ( 0.574 2.705 -0.747) 2.864 2.869 ( -0.733 -1.790 5.090) 5.445 2.869 ( -0.733 1.790 5.090) 5.445 2.997 ( -5.637 -1.905 -2.407) 6.419 2.997 ( -5.637 1.905 -2.407) 6.419 3.089 ( -3.758 -6.274 -4.072) 8.371 3.089 ( -3.758 6.274 -4.072) 8.371 3.317 ( 2.226 -1.757 0.135) 2.839 3.317 ( 2.226 1.757 0.135) 2.839 3.397 ( 4.471 -11.758 -2.583) 12.841 3.397 ( 4.471 11.758 -2.583) 12.841 3.514 ( 1.280 -3.720 2.182) 4.499 3.514 ( 1.280 3.720 2.182) 4.499 3.705 ( -0.222 -7.443 -3.067) 8.053 3.705 ( -0.222 7.443 -3.067) 8.053 3.779 ( 8.493 -8.291 5.338) 13.014 3.779 ( 8.493 8.291 5.338) 13.014 3.949 ( 1.071 -11.294 3.417) 11.848 3.949 ( 1.071 11.294 3.417) 11.848 4.154 ( 8.747 -4.980 -2.458) 10.361 4.154 ( 8.747 4.980 -2.458) 10.361 4.608 ( 1.506 -1.864 2.366) 3.367 4.608 ( 1.506 1.864 2.366) 3.367 4.915 ( -1.046 -2.874 -4.649) 5.565 4.915 ( -1.046 2.874 -4.649) 5.565 5.090 ( -9.356 -4.596 1.728) 10.567 5.090 ( -9.356 4.596 1.728) 10.567 5.416 ( 1.561 -2.158 -2.257) 3.491 5.416 ( 1.561 2.158 -2.257) 3.491 5.741 ( -2.772 -6.135 2.310) 7.118 5.741 ( -2.772 6.135 2.310) 7.118 6.032 ( 1.163 -1.611 0.532) 2.057 6.032 ( 1.163 1.611 0.532) 2.057 6.607 ( 0.554 -5.366 -1.312) 5.551 6.607 ( 0.554 5.366 -1.312) 5.551 7.638 ( 2.012 -2.488 -0.162) 3.204 7.638 ( 2.012 2.488 -0.162) 3.204 7.900 ( -0.781 -1.620 1.732) 2.496 7.900 ( -0.781 1.620 1.732) 2.496 8.134 ( -4.832 -6.738 -0.296) 8.297 8.134 ( -4.832 6.738 -0.296) 8.297 8.340 ( 0.704 -6.887 -2.456) 7.345 8.340 ( 0.704 6.887 -2.456) 7.345 8.419 ( 3.428 -5.421 2.475) 6.875 8.419 ( 3.428 5.421 2.475) 6.875 8.699 ( -2.433 -1.732 -1.233) 3.231 8.699 ( -2.433 1.732 -1.233) 3.231 8.873 ( -7.561 -4.731 -0.057) 8.919 8.873 ( -7.561 4.731 -0.057) 8.919 9.026 ( 3.204 -3.511 -0.725) 4.808 9.026 ( 3.204 3.511 -0.725) 4.808 9.211 ( -3.149 -4.456 -0.084) 5.457 9.211 ( -3.149 4.456 -0.084) 5.457 9.452 ( 1.318 -6.394 -0.249) 6.533 9.452 ( 1.318 6.394 -0.249) 6.533 9.843 ( 0.982 -5.824 4.155) 7.221 9.843 ( 0.982 5.824 4.155) 7.221 9.954 ( 1.790 -4.369 -0.041) 4.721 9.954 ( 1.790 4.369 -0.041) 4.721 10.274 ( -10.137 -11.466 0.063) 15.305 10.274 ( -10.137 11.466 0.063) 15.305 10.941 ( 4.243 -4.752 -9.159) 11.156 10.941 ( 4.243 4.752 -9.159) 11.156 11.078 ( 1.686 -4.661 3.718) 6.196 11.078 ( 1.686 4.661 3.718) 6.196 11.652 ( 4.995 -5.918 2.118) 8.029 11.652 ( 4.995 5.918 2.118) 8.029 12.102 ( -5.107 -4.703 -1.437) 7.089 12.102 ( -5.107 4.703 -1.437) 7.089 12.570 ( 3.049 -4.752 1.151) 5.762 12.570 ( 3.049 4.752 1.151) 5.762 12.653 ( 7.328 -6.744 1.236) 10.035 12.653 ( 7.328 6.744 1.236) 10.035 12.858 ( -8.572 -1.967 -0.346) 8.801 12.858 ( -8.572 1.967 -0.346) 8.801 13.650 ( -3.685 -5.497 -0.862) 6.674 13.650 ( -3.685 5.497 -0.862) 6.674 13.924 ( 1.267 -7.420 3.284) 8.213 13.924 ( 1.267 7.420 3.284) 8.213 14.485 ( 2.594 -5.099 -3.390) 6.650 14.485 ( 2.594 5.099 -3.390) 6.650 14.879 ( 8.560 -5.679 0.981) 10.319 14.879 ( 8.560 5.679 0.981) 10.319 14.916 ( 3.317 -8.982 0.207) 9.577 14.916 ( 3.317 8.982 0.207) 9.577 15.477 ( -6.099 -1.460 -0.211) 6.275 15.477 ( -6.099 1.460 -0.211) 6.275 17.310 ( -1.905 -0.896 0.008) 2.106 17.310 ( -1.905 0.896 0.008) 2.106 18.215 ( -0.238 -0.959 0.486) 1.101 18.215 ( -0.238 0.959 0.486) 1.101 19.280 ( -4.032 -3.066 -0.633) 5.105 19.280 ( -4.032 3.066 -0.633) 5.105 19.545 ( -1.832 -3.559 0.342) 4.017 19.545 ( -1.832 3.559 0.342) 4.017 21.962 ( -6.972 -3.548 -0.036) 7.823 21.962 ( -6.972 3.548 -0.036) 7.823 22.736 ( -1.981 -4.254 -0.267) 4.701 22.736 ( -1.981 4.254 -0.267) 4.701 23.457 ( 3.587 -5.667 0.777) 6.752 23.457 ( 3.587 5.667 0.777) 6.752 24.364 ( 9.484 -4.050 -0.525) 10.326 24.364 ( 9.484 4.050 -0.525) 10.326 ======================= Grid point 32 (19/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 8.691 -13.815 0.588) 16.332 2.104 ( 8.691 13.815 0.588) 16.332 2.248 ( 2.940 -17.115 -0.500) 17.373 2.248 ( 2.940 17.115 -0.500) 17.373 2.748 ( -7.599 -3.261 -3.212) 8.871 2.748 ( -7.599 3.261 -3.212) 8.871 2.786 ( -6.028 -1.223 4.503) 7.623 2.786 ( -6.028 1.223 4.503) 7.623 2.932 ( 0.785 -3.290 -1.225) 3.597 2.932 ( 0.785 3.290 -1.225) 3.597 3.048 ( -0.899 -8.109 -2.462) 8.522 3.048 ( -0.899 8.109 -2.462) 8.522 3.307 ( -2.820 -0.197 1.259) 3.094 3.307 ( -2.820 0.197 1.259) 3.094 3.466 ( 4.071 -7.275 -0.203) 8.339 3.466 ( 4.071 7.275 -0.203) 8.339 3.562 ( 1.598 -2.715 -1.373) 3.436 3.562 ( 1.598 2.715 -1.373) 3.436 3.739 ( 3.735 -6.612 -1.967) 7.845 3.739 ( 3.735 6.612 -1.967) 7.845 3.978 ( 8.107 -1.061 0.265) 8.180 3.978 ( 8.107 1.061 0.265) 8.180 4.036 ( 9.631 -5.582 8.316) 13.894 4.036 ( 9.631 5.582 8.316) 13.894 4.276 ( 2.538 -1.678 -2.488) 3.930 4.276 ( 2.538 1.678 -2.488) 3.930 4.644 ( 1.472 -1.751 2.512) 3.398 4.644 ( 1.472 1.751 2.512) 3.398 4.899 ( -0.143 -2.803 -4.591) 5.381 4.899 ( -0.143 2.803 -4.591) 5.381 4.944 ( -4.245 -6.215 0.296) 7.533 4.944 ( -4.245 6.215 0.296) 7.533 5.368 ( -6.161 -2.324 -2.783) 7.149 5.368 ( -6.161 2.324 -2.783) 7.149 5.688 ( -2.533 -4.910 3.119) 6.344 5.688 ( -2.533 4.910 3.119) 6.344 6.065 ( 2.063 -1.661 0.953) 2.815 6.065 ( 2.063 1.661 0.953) 2.815 6.621 ( 0.794 -3.806 -2.021) 4.382 6.621 ( 0.794 3.806 -2.021) 4.382 7.665 ( 0.944 -2.864 1.662) 3.444 7.665 ( 0.944 2.864 1.662) 3.444 7.919 ( 2.081 -2.869 1.255) 3.759 7.919 ( 2.081 2.869 1.255) 3.759 8.050 ( -3.848 -5.989 -4.061) 8.196 8.050 ( -3.848 5.989 -4.061) 8.196 8.301 ( -1.913 -6.124 4.522) 7.849 8.301 ( -1.913 6.124 4.522) 7.849 8.490 ( -2.580 -6.759 -1.760) 7.446 8.490 ( -2.580 6.759 -1.760) 7.446 8.627 ( -2.896 -8.224 -0.988) 8.775 8.627 ( -2.896 8.224 -0.988) 8.775 8.748 ( -0.836 -2.470 -1.735) 3.132 8.748 ( -0.836 2.470 -1.735) 3.132 9.072 ( 1.357 -4.115 0.221) 4.339 9.072 ( 1.357 4.115 0.221) 4.339 9.195 ( -0.128 -6.134 0.569) 6.162 9.195 ( -0.128 6.134 0.569) 6.162 9.445 ( -1.078 -10.037 0.378) 10.102 9.445 ( -1.078 10.037 0.378) 10.102 9.826 ( -7.035 -5.966 3.585) 9.896 9.826 ( -7.035 5.966 3.585) 9.896 9.900 ( -2.361 -7.925 2.344) 8.595 9.900 ( -2.361 7.925 2.344) 8.595 10.244 ( 5.799 -6.329 -2.952) 9.078 10.244 ( 5.799 6.329 -2.952) 9.078 10.934 ( -2.067 -2.976 -7.743) 8.549 10.934 ( -2.067 2.976 -7.743) 8.549 11.174 ( 6.242 -3.820 1.836) 7.545 11.174 ( 6.242 3.820 1.836) 7.545 11.707 ( -0.839 -13.217 0.309) 13.248 11.707 ( -0.839 13.217 0.309) 13.248 12.025 ( -2.116 -4.862 0.892) 5.377 12.025 ( -2.116 4.862 0.892) 5.377 12.517 ( -7.574 -5.896 6.191) 11.422 12.517 ( -7.574 5.896 6.191) 11.422 12.783 ( 3.087 -3.086 -1.271) 4.546 12.783 ( 3.087 3.086 -1.271) 4.546 12.819 ( 6.290 -11.057 -1.882) 12.860 12.819 ( 6.290 11.057 -1.882) 12.860 13.604 ( -0.165 -2.675 -1.267) 2.964 13.604 ( -0.165 2.675 -1.267) 2.964 13.993 ( 5.901 -6.510 1.597) 8.930 13.993 ( 5.901 6.510 1.597) 8.930 14.493 ( -0.598 -8.047 -1.481) 8.204 14.493 ( -0.598 8.047 -1.481) 8.204 14.874 ( -7.048 -8.153 0.216) 10.779 14.874 ( -7.048 8.153 0.216) 10.779 15.110 ( 9.952 -2.020 2.375) 10.428 15.110 ( 9.952 2.020 2.375) 10.428 15.382 ( -1.348 -4.725 -2.106) 5.346 15.382 ( -1.348 4.725 -2.106) 5.346 17.265 ( -2.363 -1.765 -0.010) 2.949 17.265 ( -2.363 1.765 -0.010) 2.949 18.213 ( 0.016 -1.906 0.711) 2.034 18.213 ( 0.016 1.906 0.711) 2.034 19.194 ( -4.246 -2.311 -0.782) 4.897 19.194 ( -4.246 2.311 -0.782) 4.897 19.501 ( -2.558 -4.450 0.356) 5.146 19.501 ( -2.558 4.450 0.356) 5.146 21.825 ( -6.316 -3.619 0.028) 7.279 21.825 ( -6.316 3.619 0.028) 7.279 22.627 ( -7.781 -2.571 -0.269) 8.200 22.627 ( -7.781 2.571 -0.269) 8.200 23.597 ( 9.073 -3.351 0.690) 9.697 23.597 ( 9.073 3.351 0.690) 9.697 24.555 ( 9.086 -4.154 -0.505) 10.003 24.555 ( 9.086 4.154 -0.505) 10.003 ======================= Grid point 34 (20/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 6.030 -5.556 3.201) 8.802 2.258 ( 6.030 5.556 3.201) 8.802 2.357 ( 6.924 -8.938 -2.459) 11.570 2.357 ( 6.924 8.938 -2.459) 11.570 2.571 ( -7.800 -7.872 -4.899) 12.117 2.571 ( -7.800 7.872 -4.899) 12.117 2.654 ( -6.855 -2.457 4.090) 8.352 2.654 ( -6.855 2.457 4.090) 8.352 2.954 ( 0.441 -4.311 -0.404) 4.352 2.954 ( 0.441 4.311 -0.404) 4.352 3.053 ( 1.017 -6.796 -0.295) 6.878 3.053 ( 1.017 6.796 -0.295) 6.878 3.260 ( -1.459 -0.914 0.677) 1.850 3.260 ( -1.459 0.914 0.677) 1.850 3.534 ( 2.391 -5.088 0.945) 5.701 3.534 ( 2.391 5.088 0.945) 5.701 3.571 ( -0.197 -5.960 -1.957) 6.277 3.571 ( -0.197 5.960 -1.957) 6.277 3.813 ( 2.952 -2.318 -0.174) 3.758 3.813 ( 2.952 2.318 -0.174) 3.758 4.068 ( 2.131 -5.135 -1.062) 5.660 4.068 ( 2.131 5.135 -1.062) 5.660 4.229 ( 4.505 -1.443 4.095) 6.256 4.229 ( 4.505 1.443 4.095) 6.256 4.270 ( 0.700 -5.692 0.127) 5.737 4.270 ( 0.700 5.692 0.127) 5.737 4.651 ( -0.378 -1.230 0.187) 1.301 4.651 ( -0.378 1.230 0.187) 1.301 4.865 ( -1.316 -3.833 -1.261) 4.245 4.865 ( -1.316 3.833 -1.261) 4.245 4.987 ( 4.981 -2.840 -0.984) 5.818 4.987 ( 4.981 2.840 -0.984) 5.818 5.224 ( -6.872 -2.524 -1.088) 7.401 5.224 ( -6.872 2.524 -1.088) 7.401 5.647 ( -1.393 -4.362 1.253) 4.748 5.647 ( -1.393 4.362 1.253) 4.748 6.100 ( 1.138 -1.545 0.550) 1.996 6.100 ( 1.138 1.545 0.550) 1.996 6.633 ( 0.376 -2.975 -1.066) 3.182 6.633 ( 0.376 2.975 -1.066) 3.182 7.696 ( 1.994 -1.343 1.866) 3.043 7.696 ( 1.994 1.343 1.866) 3.043 7.923 ( -2.037 -1.375 -0.465) 2.501 7.923 ( -2.037 1.375 -0.465) 2.501 8.000 ( -0.557 -1.017 -1.657) 2.023 8.000 ( -0.557 1.017 -1.657) 2.023 8.246 ( -4.600 -5.029 0.050) 6.816 8.246 ( -4.600 5.029 0.050) 6.816 8.441 ( 3.689 -2.957 3.316) 5.775 8.441 ( 3.689 2.957 3.316) 5.775 8.577 ( -4.532 -4.901 -3.866) 7.714 8.577 ( -4.532 4.901 -3.866) 7.714 8.817 ( 4.256 -0.925 0.232) 4.362 8.817 ( 4.256 0.925 0.232) 4.362 9.082 ( -0.408 -6.120 0.695) 6.173 9.082 ( -0.408 6.120 0.695) 6.173 9.191 ( 0.921 -4.296 0.183) 4.397 9.191 ( 0.921 4.296 0.183) 4.397 9.410 ( -3.226 -6.309 -0.297) 7.092 9.410 ( -3.226 6.309 -0.297) 7.092 9.684 ( -3.805 -2.059 1.588) 4.608 9.684 ( -3.805 2.059 1.588) 4.608 9.892 ( -0.132 -7.179 0.700) 7.214 9.892 ( -0.132 7.179 0.700) 7.214 10.353 ( 3.581 -1.402 -0.861) 3.941 10.353 ( 3.581 1.402 -0.861) 3.941 10.901 ( -0.925 -4.404 -3.082) 5.455 10.901 ( -0.925 4.404 -3.082) 5.455 11.295 ( 5.387 -5.574 0.121) 7.753 11.295 ( 5.387 5.574 0.121) 7.753 11.632 ( -4.828 -8.098 -0.665) 9.451 11.632 ( -4.828 8.098 -0.665) 9.451 12.006 ( -0.506 -3.318 1.942) 3.878 12.006 ( -0.506 3.318 1.942) 3.878 12.410 ( -2.702 -7.182 2.043) 7.941 12.410 ( -2.702 7.182 2.043) 7.941 12.800 ( -0.313 -8.772 -0.386) 8.786 12.800 ( -0.313 8.772 -0.386) 8.786 12.935 ( 3.761 -4.305 -0.529) 5.741 12.935 ( 3.761 4.305 -0.529) 5.741 13.631 ( 1.636 -4.188 -0.763) 4.561 13.631 ( 1.636 4.188 -0.763) 4.561 14.135 ( 7.012 -6.668 0.056) 9.676 14.135 ( 7.012 6.668 0.056) 9.676 14.471 ( -1.969 -8.693 0.352) 8.920 14.471 ( -1.969 8.693 0.352) 8.920 14.700 ( -7.333 -2.235 -0.452) 7.679 14.700 ( -7.333 2.235 -0.452) 7.679 15.198 ( 0.736 -1.561 2.091) 2.711 15.198 ( 0.736 1.561 2.091) 2.711 15.433 ( 3.466 -4.203 -1.815) 5.743 15.433 ( 3.466 4.203 -1.815) 5.743 17.231 ( -0.978 -2.249 -0.011) 2.452 17.231 ( -0.978 2.249 -0.011) 2.452 18.214 ( 0.053 -2.154 0.358) 2.184 18.214 ( 0.053 2.154 0.358) 2.184 19.135 ( -1.616 -1.138 -0.363) 2.010 19.135 ( -1.616 1.138 -0.363) 2.010 19.460 ( -1.289 -4.598 0.148) 4.777 19.460 ( -1.289 4.598 0.148) 4.777 21.738 ( -2.403 -1.709 0.032) 2.949 21.738 ( -2.403 1.709 0.032) 2.949 22.503 ( -3.793 -1.175 -0.108) 3.973 22.503 ( -3.793 1.175 -0.108) 3.973 23.737 ( 4.171 -1.681 0.251) 4.504 23.737 ( 4.171 1.681 0.251) 4.504 24.682 ( 3.524 -3.444 -0.196) 4.931 24.682 ( 3.524 3.444 -0.196) 4.931 ======================= Grid point 63 (21/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.602 0.000 26.438) 26.445 0.677 ( -6.043 0.000 32.341) 32.900 1.049 ( 4.462 0.000 49.393) 49.594 2.178 ( -3.094 0.000 -22.748) 22.957 2.352 ( 4.764 0.000 -15.177) 15.907 2.576 ( 0.871 0.000 0.204) 0.895 2.772 ( -3.999 0.000 -4.668) 6.147 2.790 ( 5.212 0.000 -5.555) 7.617 2.936 ( -0.941 0.000 6.097) 6.170 2.947 ( 3.884 0.000 11.305) 11.953 3.065 ( 1.630 0.000 -1.880) 2.489 3.210 ( -5.086 0.000 5.251) 7.311 3.224 ( -1.454 0.000 -4.336) 4.573 3.356 ( -0.373 0.000 -1.614) 1.656 3.497 ( -2.816 0.000 11.073) 11.425 3.585 ( -0.469 0.000 -0.173) 0.500 3.630 ( -5.994 0.000 -5.601) 8.203 3.714 ( 2.291 0.000 -13.733) 13.922 3.752 ( -4.359 0.000 -2.422) 4.987 3.779 ( 7.707 0.000 -3.666) 8.535 3.859 ( -2.315 0.000 -5.423) 5.896 3.893 ( -6.490 0.000 -2.078) 6.815 4.082 ( 1.172 0.000 4.492) 4.642 4.196 ( 6.510 0.000 -2.180) 6.865 4.296 ( 1.846 0.000 -2.108) 2.802 4.318 ( 3.400 0.000 -10.543) 11.078 4.471 ( 0.879 0.000 11.296) 11.330 4.623 ( -3.385 0.000 5.992) 6.882 4.855 ( -1.423 0.000 -0.408) 1.481 4.951 ( -0.330 0.000 -1.093) 1.142 5.060 ( 4.561 0.000 -1.455) 4.788 5.068 ( 0.972 0.000 4.802) 4.900 5.321 ( -7.634 0.000 -2.484) 8.028 5.559 ( -4.482 0.000 -1.266) 4.657 5.669 ( -2.740 0.000 4.280) 5.082 5.833 ( 3.060 0.000 -2.341) 3.852 6.518 ( -1.147 0.000 6.342) 6.445 6.555 ( -0.466 0.000 6.541) 6.558 6.682 ( 0.814 0.000 2.849) 2.963 6.882 ( 5.075 0.000 -2.909) 5.850 7.295 ( -0.704 0.000 8.173) 8.203 7.556 ( -4.931 0.000 -1.578) 5.177 7.671 ( 3.064 0.000 -4.449) 5.402 7.867 ( 3.788 0.000 -1.950) 4.260 8.190 ( 1.401 0.000 1.845) 2.317 8.210 ( -1.068 0.000 0.047) 1.069 8.365 ( -0.201 0.000 -0.855) 0.879 8.370 ( -17.290 0.000 -0.971) 17.317 8.566 ( 13.807 0.000 -1.167) 13.856 8.572 ( 4.818 0.000 -2.348) 5.360 8.630 ( -3.173 0.000 0.497) 3.211 8.639 ( -4.089 0.000 -1.367) 4.312 8.712 ( -3.857 0.000 -3.094) 4.945 8.729 ( 9.348 0.000 -4.205) 10.251 8.946 ( -3.472 0.000 6.200) 7.107 9.051 ( -1.856 0.000 8.187) 8.394 9.352 ( -9.147 0.000 1.555) 9.278 9.601 ( -2.954 0.000 -1.455) 3.293 9.603 ( -2.636 0.000 -4.089) 4.865 9.621 ( 6.033 0.000 6.616) 8.953 9.715 ( 2.641 0.000 -0.914) 2.794 9.784 ( -1.904 0.000 2.869) 3.443 9.993 ( -0.781 0.000 -0.105) 0.788 10.017 ( -2.693 0.000 3.796) 4.654 10.227 ( 2.038 0.000 2.703) 3.385 10.335 ( -2.355 0.000 -2.527) 3.454 10.365 ( 9.458 0.000 -6.344) 11.389 10.641 ( -9.063 0.000 -14.885) 17.427 10.918 ( 7.574 0.000 0.624) 7.600 11.068 ( -7.609 0.000 -3.153) 8.236 11.552 ( -0.153 0.000 7.196) 7.197 11.577 ( -0.123 0.000 4.966) 4.968 11.681 ( 2.147 0.000 20.043) 20.158 11.781 ( -1.174 0.000 -0.032) 1.174 12.276 ( -0.387 0.000 -3.138) 3.162 12.372 ( 10.692 0.000 -12.158) 16.191 12.574 ( 6.754 0.000 -8.882) 11.158 12.647 ( -5.632 0.000 1.832) 5.923 12.773 ( 3.584 0.000 -1.420) 3.855 13.329 ( 3.360 0.000 -4.886) 5.929 13.592 ( -5.887 0.000 0.727) 5.931 13.790 ( 4.702 0.000 0.557) 4.735 13.876 ( 4.805 0.000 -1.200) 4.952 14.068 ( 0.472 0.000 8.914) 8.927 14.166 ( 10.035 0.000 -9.423) 13.765 14.388 ( -11.346 0.000 -1.455) 11.439 14.754 ( -0.254 0.000 -1.512) 1.533 14.824 ( -2.837 0.000 -2.653) 3.884 15.038 ( 5.437 0.000 7.717) 9.440 15.377 ( -1.678 0.000 -1.773) 2.442 15.448 ( -3.026 0.000 5.640) 6.400 15.985 ( 0.744 0.000 -6.682) 6.723 17.443 ( -1.730 0.000 10.961) 11.097 17.989 ( 0.183 0.000 4.433) 4.437 18.064 ( 0.904 0.000 -4.610) 4.697 18.366 ( -0.931 0.000 -2.701) 2.857 19.319 ( -1.219 0.000 3.226) 3.448 19.772 ( 2.962 0.000 -10.723) 11.125 20.201 ( -4.225 0.000 9.100) 10.033 20.585 ( 23.386 0.000 -2.837) 23.557 21.827 ( -0.858 0.000 0.337) 0.922 21.866 ( 1.480 0.000 -0.604) 1.598 22.182 ( -0.450 0.000 1.726) 1.783 22.310 ( 0.401 0.000 -1.191) 1.257 23.373 ( 3.165 0.000 0.523) 3.208 23.386 ( -18.070 0.000 0.220) 18.071 23.853 ( -1.250 0.000 0.147) 1.259 23.940 ( 1.140 0.000 -1.774) 2.108 ======================= Grid point 64 (22/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 21.785 0.000 16.827) 27.527 0.856 ( 25.300 0.000 16.443) 30.173 1.629 ( 41.333 0.000 35.612) 54.558 2.150 ( 0.768 0.000 -19.178) 19.193 2.433 ( 2.802 0.000 -13.870) 14.151 2.597 ( -9.807 0.000 -6.247) 11.628 2.599 ( 1.280 0.000 -0.186) 1.293 2.857 ( -3.231 0.000 2.108) 3.858 2.924 ( 1.127 0.000 3.289) 3.476 2.966 ( -5.556 0.000 -0.709) 5.601 3.086 ( 1.590 0.000 -1.049) 1.905 3.165 ( -0.485 0.000 4.818) 4.843 3.244 ( 7.479 0.000 -0.283) 7.484 3.386 ( 3.253 0.000 -1.236) 3.480 3.423 ( -3.717 0.000 6.663) 7.629 3.530 ( -2.372 0.000 -0.052) 2.372 3.571 ( -2.494 0.000 -1.798) 3.075 3.647 ( -4.899 0.000 -1.764) 5.206 3.747 ( -7.243 0.000 -7.077) 10.127 3.819 ( 2.416 0.000 -5.428) 5.942 3.854 ( 7.161 0.000 -6.453) 9.640 3.943 ( 7.737 0.000 -5.846) 9.697 4.126 ( 0.715 0.000 1.029) 1.253 4.213 ( 0.685 0.000 2.607) 2.696 4.427 ( 8.738 0.000 -7.927) 11.798 4.473 ( 9.338 0.000 0.761) 9.369 4.530 ( 4.571 0.000 9.860) 10.868 4.545 ( -3.118 0.000 3.897) 4.991 4.832 ( -0.427 0.000 -2.740) 2.773 4.922 ( -2.542 0.000 -1.034) 2.744 5.046 ( -5.343 0.000 4.951) 7.284 5.088 ( -2.105 0.000 1.346) 2.498 5.126 ( -5.002 0.000 7.015) 8.615 5.459 ( -5.159 0.000 -3.088) 6.013 5.567 ( -9.792 0.000 0.088) 9.792 5.855 ( -0.667 0.000 -1.983) 2.092 6.482 ( -2.474 0.000 4.234) 4.904 6.509 ( -5.982 0.000 6.755) 9.023 6.663 ( -10.960 0.000 12.789) 16.842 6.669 ( -1.725 0.000 3.519) 3.919 7.290 ( 0.268 0.000 6.248) 6.254 7.457 ( -0.961 0.000 -3.668) 3.792 7.747 ( 4.480 0.000 0.088) 4.481 7.872 ( -4.100 0.000 3.942) 5.687 8.083 ( -7.119 0.000 -4.568) 8.459 8.115 ( -6.810 0.000 1.100) 6.898 8.214 ( -0.347 0.000 -1.209) 1.258 8.353 ( -3.709 0.000 -0.188) 3.714 8.546 ( -6.050 0.000 -6.983) 9.239 8.650 ( 2.405 0.000 1.201) 2.688 8.693 ( 6.076 0.000 -1.199) 6.193 8.756 ( 9.526 0.000 -3.514) 10.154 8.771 ( 6.479 0.000 5.297) 8.369 8.897 ( 3.133 0.000 -6.088) 6.847 9.000 ( 6.635 0.000 2.041) 6.942 9.045 ( 0.911 0.000 4.638) 4.727 9.165 ( -7.812 0.000 2.840) 8.312 9.504 ( -4.603 0.000 0.634) 4.647 9.560 ( -1.567 0.000 0.250) 1.586 9.746 ( -1.652 0.000 -1.839) 2.472 9.777 ( 3.559 0.000 0.880) 3.666 9.777 ( 8.380 0.000 5.690) 10.129 10.022 ( 4.191 0.000 1.504) 4.453 10.053 ( 4.055 0.000 3.167) 5.146 10.243 ( -0.207 0.000 4.126) 4.131 10.298 ( -1.475 0.000 -4.107) 4.363 10.516 ( -1.881 0.000 -15.806) 15.917 10.570 ( 9.658 0.000 2.492) 9.974 10.990 ( 0.675 0.000 -9.100) 9.125 11.154 ( 7.301 0.000 -1.649) 7.485 11.531 ( -2.023 0.000 5.539) 5.897 11.573 ( -0.789 0.000 4.908) 4.971 11.746 ( -1.072 0.000 -1.200) 1.609 11.792 ( 8.377 0.000 20.093) 21.770 12.283 ( 1.000 0.000 -0.766) 1.259 12.452 ( 0.241 0.000 -12.023) 12.025 12.519 ( -6.358 0.000 -4.374) 7.718 12.868 ( 4.829 0.000 1.202) 4.976 12.926 ( 15.352 0.000 -28.173) 32.085 13.274 ( -4.111 0.000 -3.360) 5.309 13.663 ( 3.032 0.000 -2.454) 3.900 13.945 ( 6.459 0.000 0.078) 6.459 13.977 ( 5.009 0.000 3.927) 6.365 14.084 ( -11.899 0.000 -4.107) 12.588 14.128 ( 15.161 0.000 6.724) 16.586 14.482 ( 14.023 0.000 -6.444) 15.433 14.627 ( -10.841 0.000 -3.533) 11.402 14.762 ( -2.691 0.000 -6.258) 6.812 15.006 ( -6.893 0.000 10.850) 12.854 15.386 ( 0.436 0.000 -3.735) 3.760 15.514 ( 7.633 0.000 2.156) 7.931 15.904 ( -7.009 0.000 1.041) 7.086 17.405 ( -2.686 0.000 10.046) 10.399 17.809 ( -13.619 0.000 17.748) 22.371 18.070 ( -0.018 0.000 -3.788) 3.788 18.295 ( -6.024 0.000 -3.544) 6.989 19.246 ( -7.295 0.000 3.510) 8.095 19.666 ( -39.814 0.000 36.558) 54.052 19.765 ( -3.203 0.000 -9.595) 10.115 19.990 ( -15.447 0.000 4.214) 16.012 21.843 ( 1.776 0.000 -0.045) 1.776 22.105 ( -3.256 0.000 -0.480) 3.291 22.158 ( 1.908 0.000 -2.648) 3.264 22.298 ( -1.543 0.000 -0.255) 1.564 23.537 ( 12.175 0.000 4.266) 12.901 23.886 ( 4.565 0.000 -0.403) 4.583 24.003 ( 13.436 0.000 -9.716) 16.580 24.186 ( 38.064 0.000 -33.643) 50.801 ======================= Grid point 65 (23/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 28.911 0.000 5.021) 29.343 1.378 ( 26.864 0.000 8.903) 28.301 2.181 ( 2.042 0.000 -12.348) 12.516 2.399 ( -5.655 0.000 -14.799) 15.842 2.428 ( 30.791 0.000 13.245) 33.519 2.448 ( -5.933 0.000 -0.394) 5.946 2.616 ( -0.104 0.000 -1.432) 1.436 2.720 ( -8.373 0.000 1.098) 8.445 2.765 ( -4.649 0.000 0.132) 4.651 2.981 ( 3.298 0.000 0.894) 3.417 3.116 ( 0.658 0.000 -1.713) 1.835 3.245 ( 6.317 0.000 9.271) 11.219 3.388 ( 0.645 0.000 5.646) 5.683 3.407 ( 8.180 0.000 -1.278) 8.279 3.452 ( 1.698 0.000 1.476) 2.250 3.486 ( -2.629 0.000 -2.348) 3.525 3.540 ( 0.283 0.000 -2.908) 2.922 3.596 ( -0.368 0.000 1.660) 1.700 3.650 ( -1.014 0.000 -6.753) 6.829 3.842 ( 0.911 0.000 -6.498) 6.562 4.014 ( 5.092 0.000 0.582) 5.125 4.067 ( 4.825 0.000 -6.927) 8.442 4.136 ( 3.474 0.000 -0.137) 3.476 4.230 ( 0.067 0.000 2.589) 2.590 4.453 ( -2.815 0.000 4.555) 5.355 4.604 ( 7.363 0.000 -1.720) 7.562 4.640 ( 6.424 0.000 1.763) 6.661 4.666 ( 5.358 0.000 5.059) 7.369 4.811 ( -2.098 0.000 -2.008) 2.904 4.869 ( -2.196 0.000 -0.864) 2.360 4.918 ( -5.340 0.000 1.773) 5.627 4.986 ( -7.425 0.000 1.556) 7.586 5.123 ( 1.798 0.000 3.387) 3.835 5.291 ( -16.767 0.000 0.510) 16.775 5.380 ( -2.710 0.000 -4.472) 5.229 5.809 ( -3.837 0.000 -3.974) 5.524 6.377 ( -5.395 0.000 6.926) 8.779 6.440 ( -1.575 0.000 1.621) 2.260 6.580 ( -1.696 0.000 8.924) 9.084 6.634 ( -1.781 0.000 4.228) 4.588 7.304 ( 0.700 0.000 4.771) 4.822 7.471 ( 2.072 0.000 -3.216) 3.826 7.779 ( -6.081 0.000 3.249) 6.894 7.809 ( 0.461 0.000 3.190) 3.223 7.970 ( -3.058 0.000 -5.754) 6.516 7.996 ( -4.519 0.000 -1.237) 4.685 8.234 ( -6.697 0.000 1.521) 6.868 8.243 ( 2.560 0.000 -3.599) 4.416 8.445 ( -2.550 0.000 -9.101) 9.452 8.691 ( 0.086 0.000 -4.423) 4.424 8.736 ( -4.596 0.000 -1.693) 4.898 8.773 ( -3.147 0.000 2.793) 4.208 8.927 ( 7.127 0.000 4.811) 8.599 8.970 ( 3.261 0.000 4.320) 5.413 9.054 ( 1.500 0.000 2.788) 3.166 9.092 ( 3.933 0.000 -1.292) 4.139 9.159 ( 5.296 0.000 -0.115) 5.297 9.442 ( -1.717 0.000 0.547) 1.802 9.529 ( -1.926 0.000 3.186) 3.723 9.721 ( -0.778 0.000 -3.339) 3.429 9.841 ( 3.052 0.000 -0.194) 3.059 9.933 ( 6.825 0.000 4.361) 8.100 10.144 ( 5.049 0.000 3.136) 5.944 10.149 ( 7.798 0.000 3.221) 8.437 10.224 ( -1.603 0.000 4.414) 4.696 10.275 ( -0.564 0.000 -4.476) 4.511 10.535 ( 3.565 0.000 -13.033) 13.512 10.676 ( 0.893 0.000 8.626) 8.672 11.104 ( 10.047 0.000 -12.330) 15.906 11.208 ( -0.094 0.000 2.453) 2.455 11.467 ( -4.723 0.000 3.234) 5.725 11.546 ( -1.734 0.000 3.508) 3.914 11.779 ( 4.639 0.000 -0.590) 4.677 12.010 ( 13.483 0.000 16.153) 21.041 12.321 ( 3.236 0.000 2.392) 4.024 12.389 ( -7.397 0.000 -7.644) 10.638 12.457 ( 0.352 0.000 -10.093) 10.099 12.942 ( 2.477 0.000 3.523) 4.306 13.018 ( -3.242 0.000 -16.880) 17.188 13.212 ( -2.930 0.000 -3.808) 4.804 13.604 ( -4.165 0.000 2.411) 4.812 13.865 ( -8.238 0.000 0.817) 8.279 14.073 ( 2.141 0.000 2.541) 3.323 14.153 ( 13.356 0.000 -4.631) 14.136 14.398 ( -9.275 0.000 -6.802) 11.502 14.559 ( 23.581 0.000 4.891) 24.083 14.565 ( -4.499 0.000 -3.386) 5.631 14.859 ( -0.837 0.000 5.380) 5.445 14.912 ( 10.845 0.000 -6.725) 12.761 15.332 ( -6.103 0.000 -5.139) 7.978 15.646 ( 4.706 0.000 0.349) 4.719 15.749 ( -9.556 0.000 2.546) 9.889 17.340 ( -4.018 0.000 10.156) 10.922 17.621 ( -5.754 0.000 19.004) 19.856 18.068 ( 0.161 0.000 -2.625) 2.630 18.157 ( -7.445 0.000 -4.460) 8.678 19.064 ( -8.323 0.000 7.577) 11.255 19.313 ( -7.737 0.000 13.601) 15.648 19.639 ( -10.672 0.000 -3.375) 11.193 19.728 ( -8.119 0.000 -5.353) 9.724 21.881 ( 2.268 0.000 -1.098) 2.520 21.989 ( -5.972 0.000 2.431) 6.448 22.185 ( 0.432 0.000 -2.790) 2.823 22.244 ( -4.116 0.000 1.200) 4.287 23.775 ( 10.778 0.000 6.050) 12.360 24.009 ( 7.287 0.000 0.803) 7.332 24.214 ( 10.914 0.000 -4.370) 11.756 24.625 ( 10.711 0.000 -24.306) 26.561 ======================= Grid point 66 (24/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 20.647 0.000 4.544) 21.142 1.855 ( 26.056 0.000 2.398) 26.166 2.102 ( -14.297 0.000 -5.770) 15.417 2.220 ( -13.496 0.000 0.284) 13.499 2.370 ( -0.517 0.000 -8.865) 8.880 2.435 ( -2.673 0.000 -12.202) 12.492 2.566 ( -6.824 0.000 -4.116) 7.970 2.586 ( -2.156 0.000 -2.476) 3.283 3.025 ( 0.747 0.000 -0.657) 0.995 3.117 ( 0.146 0.000 -1.672) 1.678 3.181 ( 18.778 0.000 9.895) 21.226 3.314 ( -4.683 0.000 1.911) 5.057 3.432 ( 2.685 0.000 5.135) 5.795 3.440 ( 4.218 0.000 -3.400) 5.418 3.510 ( 4.749 0.000 8.296) 9.559 3.532 ( 3.459 0.000 3.014) 4.588 3.569 ( 1.924 0.000 -5.047) 5.402 3.624 ( 3.153 0.000 1.082) 3.334 3.720 ( 8.084 0.000 -1.663) 8.253 3.844 ( 0.413 0.000 -7.135) 7.147 4.044 ( 0.368 0.000 5.426) 5.439 4.086 ( -4.583 0.000 -4.317) 6.296 4.192 ( -4.846 0.000 5.618) 7.419 4.254 ( 5.243 0.000 2.565) 5.837 4.457 ( 4.796 0.000 0.547) 4.827 4.581 ( -11.792 0.000 11.551) 16.507 4.653 ( -2.532 0.000 -1.387) 2.887 4.718 ( 0.924 0.000 -3.781) 3.893 4.786 ( 1.755 0.000 1.830) 2.535 4.814 ( -5.941 0.000 4.799) 7.637 4.824 ( -7.486 0.000 -4.458) 8.713 4.925 ( 4.117 0.000 -2.169) 4.653 5.123 ( 2.082 0.000 -0.931) 2.281 5.149 ( 0.691 0.000 3.800) 3.862 5.356 ( 0.440 0.000 -6.845) 6.859 5.726 ( -3.758 0.000 -6.728) 7.706 6.310 ( -2.124 0.000 4.916) 5.355 6.432 ( 0.785 0.000 0.066) 0.788 6.559 ( -0.853 0.000 7.561) 7.609 6.601 ( -1.870 0.000 4.607) 4.972 7.312 ( 0.071 0.000 4.232) 4.232 7.533 ( 4.125 0.000 -0.044) 4.125 7.648 ( -6.054 0.000 0.643) 6.088 7.738 ( -6.519 0.000 -1.266) 6.641 7.965 ( 1.565 0.000 -1.592) 2.232 7.972 ( 2.478 0.000 -6.088) 6.573 8.148 ( -2.655 0.000 4.666) 5.369 8.293 ( 2.377 0.000 -5.302) 5.810 8.466 ( 4.190 0.000 -8.657) 9.618 8.621 ( -5.075 0.000 -3.044) 5.918 8.651 ( -2.566 0.000 -3.320) 4.196 8.659 ( -7.771 0.000 3.518) 8.530 8.997 ( 0.101 0.000 3.014) 3.016 9.011 ( 1.000 0.000 5.099) 5.196 9.129 ( 3.814 0.000 3.815) 5.395 9.188 ( 5.608 0.000 -3.008) 6.364 9.230 ( 1.761 0.000 2.601) 3.141 9.438 ( 0.900 0.000 0.357) 0.968 9.490 ( -1.911 0.000 5.595) 5.912 9.718 ( 0.534 0.000 -3.680) 3.719 9.890 ( 1.792 0.000 0.728) 1.934 10.001 ( -0.632 0.000 0.374) 0.735 10.164 ( -3.208 0.000 1.537) 3.558 10.236 ( 3.853 0.000 2.824) 4.777 10.294 ( 2.893 0.000 -1.333) 3.185 10.308 ( 6.247 0.000 4.509) 7.704 10.621 ( -6.494 0.000 5.940) 8.801 10.624 ( 5.210 0.000 -6.218) 8.112 11.197 ( -0.245 0.000 4.064) 4.071 11.291 ( 7.931 0.000 -6.694) 10.379 11.373 ( -4.269 0.000 -0.551) 4.304 11.525 ( -0.141 0.000 1.624) 1.630 11.899 ( 6.001 0.000 -0.747) 6.047 12.225 ( -7.211 0.000 -12.134) 14.115 12.289 ( 13.432 0.000 9.061) 16.202 12.408 ( -6.931 0.000 -5.505) 8.851 12.426 ( 6.320 0.000 6.177) 8.837 12.885 ( -6.400 0.000 -4.791) 7.995 12.951 ( -1.803 0.000 9.381) 9.552 13.170 ( -1.374 0.000 -8.835) 8.941 13.575 ( 0.635 0.000 -1.045) 1.223 13.781 ( -0.570 0.000 0.414) 0.704 14.044 ( -4.375 0.000 1.897) 4.768 14.178 ( -5.652 0.000 -2.244) 6.082 14.453 ( 8.767 0.000 -6.599) 10.973 14.477 ( -4.084 0.000 -5.871) 7.152 14.797 ( -1.368 0.000 5.654) 5.817 15.013 ( 21.731 0.000 3.156) 21.959 15.176 ( -8.924 0.000 -5.216) 10.336 15.198 ( 13.053 0.000 -4.303) 13.744 15.523 ( -12.749 0.000 1.146) 12.800 15.671 ( -1.975 0.000 -2.869) 3.483 17.284 ( -1.440 0.000 11.114) 11.207 17.564 ( -1.593 0.000 15.632) 15.713 18.033 ( -4.747 0.000 -5.146) 7.001 18.086 ( 1.975 0.000 -1.270) 2.348 18.963 ( -3.031 0.000 4.355) 5.306 19.217 ( -2.866 0.000 7.944) 8.445 19.449 ( -6.788 0.000 -4.318) 8.045 19.652 ( -0.379 0.000 -5.294) 5.307 21.899 ( -3.278 0.000 1.475) 3.594 21.939 ( 3.883 0.000 -2.076) 4.403 22.151 ( -5.121 0.000 2.064) 5.521 22.192 ( 0.771 0.000 -1.337) 1.543 23.913 ( 2.750 0.000 4.764) 5.501 24.128 ( 4.076 0.000 2.991) 5.056 24.384 ( 5.119 0.000 -6.530) 8.297 24.724 ( 2.506 0.000 -12.966) 13.206 ======================= Grid point 67 (25/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -25.070 0.000 -2.961) 25.244 1.834 ( -21.692 0.000 3.672) 22.000 2.195 ( 9.325 0.000 -1.781) 9.493 2.321 ( 19.713 0.000 1.569) 19.775 2.388 ( 1.186 0.000 -4.411) 4.568 2.468 ( 3.857 0.000 -8.487) 9.322 2.521 ( -4.245 0.000 -7.069) 8.246 2.525 ( 4.864 0.000 -8.295) 9.616 3.016 ( -1.046 0.000 0.077) 1.049 3.121 ( -0.109 0.000 -0.693) 0.701 3.137 ( -13.252 0.000 3.916) 13.818 3.326 ( -6.310 0.000 7.877) 10.092 3.457 ( -0.549 0.000 3.206) 3.252 3.465 ( -5.002 0.000 2.605) 5.640 3.494 ( -2.879 0.000 2.794) 4.012 3.542 ( -1.661 0.000 5.878) 6.109 3.581 ( -0.801 0.000 -5.720) 5.776 3.668 ( 0.856 0.000 0.164) 0.872 3.820 ( -1.931 0.000 -7.009) 7.270 3.922 ( 7.884 0.000 -5.026) 9.350 3.993 ( 3.735 0.000 1.937) 4.208 4.033 ( -2.279 0.000 6.453) 6.844 4.194 ( 5.297 0.000 1.345) 5.465 4.294 ( -1.069 0.000 4.199) 4.333 4.350 ( -7.755 0.000 5.018) 9.237 4.520 ( -10.544 0.000 -7.886) 13.166 4.623 ( -2.054 0.000 1.764) 2.707 4.694 ( -5.632 0.000 1.932) 5.954 4.747 ( 2.534 0.000 -1.544) 2.968 4.759 ( 9.252 0.000 8.122) 12.311 4.903 ( 10.620 0.000 -2.777) 10.977 4.988 ( 0.348 0.000 1.066) 1.121 5.090 ( -4.554 0.000 -0.429) 4.574 5.259 ( 7.835 0.000 4.820) 9.199 5.402 ( 4.919 0.000 -7.790) 9.213 5.686 ( -0.207 0.000 -7.619) 7.622 6.290 ( -0.095 0.000 5.315) 5.316 6.466 ( 2.523 0.000 -0.637) 2.602 6.551 ( -0.170 0.000 6.983) 6.985 6.568 ( -1.392 0.000 5.461) 5.636 7.310 ( -0.433 0.000 4.659) 4.679 7.514 ( -4.041 0.000 1.300) 4.245 7.630 ( -3.460 0.000 -4.896) 5.996 7.694 ( 9.038 0.000 0.290) 9.043 8.018 ( 1.330 0.000 -4.483) 4.676 8.026 ( 2.097 0.000 -1.747) 2.730 8.134 ( 3.341 0.000 4.835) 5.877 8.331 ( 2.421 0.000 -8.133) 8.486 8.474 ( -8.711 0.000 2.619) 9.096 8.522 ( 0.643 0.000 -9.075) 9.098 8.616 ( 2.177 0.000 -4.431) 4.937 8.673 ( 5.450 0.000 1.306) 5.604 8.971 ( -5.097 0.000 4.368) 6.713 8.972 ( -2.831 0.000 1.937) 3.430 9.178 ( 1.138 0.000 4.338) 4.485 9.246 ( 0.340 0.000 4.995) 5.007 9.264 ( 0.902 0.000 -2.621) 2.772 9.457 ( 0.878 0.000 -0.112) 0.885 9.490 ( 3.046 0.000 6.843) 7.490 9.730 ( 0.310 0.000 -4.062) 4.074 9.905 ( -0.433 0.000 3.618) 3.644 9.928 ( -5.973 0.000 -2.441) 6.452 10.102 ( -2.678 0.000 -0.010) 2.678 10.266 ( -1.144 0.000 4.346) 4.494 10.361 ( 3.092 0.000 0.055) 3.093 10.369 ( -0.787 0.000 4.266) 4.338 10.443 ( -11.051 0.000 -1.430) 11.143 10.708 ( 3.170 0.000 -0.853) 3.283 11.224 ( 2.738 0.000 5.042) 5.737 11.320 ( -0.739 0.000 -4.496) 4.556 11.373 ( 1.165 0.000 -2.289) 2.568 11.562 ( 3.727 0.000 2.972) 4.767 11.902 ( -5.787 0.000 -7.078) 9.142 12.156 ( -16.135 0.000 2.924) 16.397 12.184 ( 2.348 0.000 1.399) 2.733 12.479 ( 3.589 0.000 -3.643) 5.114 12.551 ( 6.283 0.000 -1.381) 6.433 12.866 ( 4.197 0.000 -1.037) 4.324 12.902 ( -2.671 0.000 10.788) 11.114 13.144 ( -0.894 0.000 -11.488) 11.523 13.609 ( 2.624 0.000 -1.107) 2.848 13.787 ( -0.982 0.000 3.582) 3.714 13.983 ( -0.250 0.000 -4.100) 4.108 14.132 ( 0.628 0.000 -3.990) 4.039 14.410 ( -1.488 0.000 -4.559) 4.795 14.473 ( -5.742 0.000 -2.807) 6.392 14.806 ( 1.376 0.000 2.972) 3.275 14.919 ( -20.002 0.000 -0.215) 20.003 15.320 ( -2.918 0.000 -0.128) 2.921 15.344 ( 10.648 0.000 -0.309) 10.652 15.440 ( 8.094 0.000 -2.105) 8.363 15.624 ( -0.369 0.000 -3.953) 3.971 17.305 ( 3.505 0.000 12.924) 13.391 17.546 ( -0.951 0.000 13.916) 13.949 17.980 ( -0.614 0.000 -5.581) 5.615 18.146 ( 4.230 0.000 -0.523) 4.262 18.932 ( -0.099 0.000 5.251) 5.252 19.210 ( 1.677 0.000 5.930) 6.163 19.396 ( 1.442 0.000 -6.273) 6.437 19.715 ( 7.017 0.000 -2.796) 7.554 21.868 ( 0.086 0.000 0.050) 0.100 22.010 ( 0.878 0.000 -0.370) 0.952 22.082 ( 0.562 0.000 0.436) 0.711 22.221 ( 2.204 0.000 0.012) 2.204 23.876 ( -6.627 0.000 3.439) 7.466 24.146 ( -2.324 0.000 3.441) 4.152 24.364 ( -6.447 0.000 -6.785) 9.360 24.771 ( 2.292 0.000 -11.691) 11.914 ======================= Grid point 68 (26/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -25.588 0.000 3.868) 25.879 1.352 ( -27.183 0.000 7.573) 28.218 2.266 ( 0.604 0.000 -13.227) 13.240 2.381 ( -23.102 0.000 2.352) 23.221 2.407 ( -6.577 0.000 -12.373) 14.012 2.475 ( 7.443 0.000 -0.752) 7.481 2.605 ( -5.614 0.000 13.631) 14.741 2.670 ( 7.582 0.000 -6.052) 9.701 2.740 ( -0.232 0.000 0.256) 0.345 3.002 ( -0.247 0.000 2.541) 2.553 3.100 ( -2.187 0.000 0.443) 2.231 3.144 ( -2.751 0.000 7.377) 7.874 3.431 ( -2.018 0.000 2.181) 2.971 3.469 ( -3.086 0.000 -3.027) 4.322 3.485 ( 3.243 0.000 -0.291) 3.256 3.489 ( -2.972 0.000 6.083) 6.771 3.579 ( 2.078 0.000 -3.020) 3.666 3.688 ( 1.496 0.000 0.825) 1.709 3.854 ( 3.590 0.000 -10.196) 10.810 3.958 ( -5.208 0.000 4.509) 6.889 3.959 ( -5.416 0.000 -4.069) 6.774 4.084 ( 6.457 0.000 -2.663) 6.984 4.208 ( -6.830 0.000 5.090) 8.518 4.208 ( -9.396 0.000 -4.416) 10.382 4.285 ( -8.981 0.000 -5.138) 10.347 4.336 ( 4.720 0.000 1.140) 4.856 4.595 ( 1.773 0.000 1.361) 2.235 4.603 ( -4.757 0.000 4.309) 6.418 4.820 ( 5.094 0.000 -3.384) 6.115 4.873 ( 0.999 0.000 6.391) 6.468 4.956 ( -1.948 0.000 -1.750) 2.619 5.004 ( -1.960 0.000 2.141) 2.903 5.161 ( 10.484 0.000 -0.099) 10.484 5.453 ( 12.724 0.000 5.607) 13.905 5.528 ( 7.118 0.000 -1.124) 7.206 5.697 ( 1.282 0.000 -8.469) 8.566 6.317 ( 3.430 0.000 8.897) 9.535 6.512 ( 1.526 0.000 1.701) 2.286 6.556 ( 0.463 0.000 7.014) 7.029 6.569 ( 2.023 0.000 4.845) 5.250 7.301 ( -0.408 0.000 5.523) 5.538 7.466 ( -0.750 0.000 0.221) 0.782 7.606 ( 0.574 0.000 -5.696) 5.724 7.898 ( 9.814 0.000 3.592) 10.451 8.023 ( 1.561 0.000 -2.231) 2.723 8.028 ( 0.567 0.000 0.185) 0.597 8.289 ( 10.001 0.000 1.282) 10.083 8.304 ( -6.173 0.000 -3.502) 7.097 8.422 ( 4.409 0.000 -6.511) 7.863 8.520 ( -0.844 0.000 -7.557) 7.604 8.664 ( 1.498 0.000 -4.506) 4.748 8.779 ( 3.387 0.000 2.380) 4.139 8.835 ( -7.743 0.000 4.564) 8.988 8.892 ( -5.074 0.000 0.565) 5.105 9.174 ( -1.712 0.000 3.906) 4.264 9.219 ( -4.586 0.000 -0.039) 4.586 9.269 ( 2.518 0.000 7.854) 8.247 9.482 ( 2.190 0.000 -1.497) 2.652 9.603 ( 6.780 0.000 7.359) 10.006 9.715 ( -1.540 0.000 -4.112) 4.391 9.793 ( -7.557 0.000 -2.257) 7.887 9.859 ( -4.417 0.000 4.192) 6.090 10.078 ( -0.252 0.000 0.804) 0.843 10.204 ( -4.709 0.000 5.533) 7.265 10.211 ( -9.117 0.000 -5.443) 10.619 10.329 ( -3.877 0.000 -1.840) 4.292 10.393 ( 0.142 0.000 -0.111) 0.181 10.737 ( -0.332 0.000 -1.903) 1.932 11.242 ( -1.662 0.000 -4.585) 4.877 11.363 ( -2.582 0.000 -1.377) 2.926 11.379 ( 6.412 0.000 3.175) 7.155 11.623 ( 0.721 0.000 10.129) 10.154 11.771 ( -4.650 0.000 -9.951) 10.983 11.860 ( -13.308 0.000 10.389) 16.883 12.236 ( 2.766 0.000 8.559) 8.995 12.470 ( -2.184 0.000 -11.044) 11.258 12.644 ( 2.423 0.000 -2.168) 3.251 12.863 ( -1.733 0.000 0.881) 1.944 12.913 ( -3.385 0.000 -13.957) 14.361 13.158 ( 3.162 0.000 -5.935) 6.724 13.671 ( 3.613 0.000 -0.823) 3.706 13.757 ( -0.599 0.000 1.206) 1.347 13.993 ( 0.177 0.000 -3.790) 3.794 14.094 ( -6.509 0.000 -3.979) 7.629 14.362 ( -11.981 0.000 0.199) 11.983 14.472 ( 7.743 0.000 -4.458) 8.934 14.524 ( -8.594 0.000 2.542) 8.962 14.826 ( 0.402 0.000 3.978) 3.998 15.133 ( -12.955 0.000 -3.028) 13.304 15.490 ( 3.350 0.000 -0.505) 3.388 15.630 ( -1.112 0.000 2.488) 2.725 15.643 ( 11.300 0.000 -4.244) 12.071 17.423 ( 7.081 0.000 15.186) 16.755 17.544 ( 2.055 0.000 14.675) 14.818 17.996 ( 1.969 0.000 -5.645) 5.979 18.241 ( 5.309 0.000 -0.963) 5.396 18.989 ( 7.007 0.000 12.803) 14.595 19.265 ( 3.296 0.000 5.080) 6.056 19.492 ( 8.038 0.000 -7.780) 11.187 19.905 ( 11.906 0.000 0.750) 11.929 21.900 ( 3.106 0.000 -1.583) 3.486 21.960 ( -3.726 0.000 2.553) 4.517 22.172 ( 5.921 0.000 -2.124) 6.290 22.264 ( 1.664 0.000 0.837) 1.862 23.679 ( -12.817 0.000 1.883) 12.954 24.054 ( -6.593 0.000 2.573) 7.077 24.185 ( -10.526 0.000 -4.755) 11.551 24.747 ( -6.428 0.000 -21.005) 21.967 ======================= Grid point 69 (27/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -14.559 0.000 22.121) 26.482 0.832 ( -25.251 0.000 15.536) 29.647 1.599 ( -44.185 0.000 31.142) 54.056 2.276 ( -6.183 0.000 -21.771) 22.632 2.285 ( 2.321 0.000 -17.060) 17.217 2.568 ( 0.002 0.000 1.740) 1.740 2.630 ( 8.352 0.000 -0.542) 8.370 2.780 ( 3.868 0.000 -6.065) 7.193 2.860 ( 4.916 0.000 8.233) 9.589 2.991 ( -2.417 0.000 5.191) 5.726 3.052 ( -1.269 0.000 -1.221) 1.761 3.184 ( 4.407 0.000 0.826) 4.484 3.342 ( -6.877 0.000 6.299) 9.326 3.395 ( -3.399 0.000 -3.000) 4.534 3.488 ( 1.932 0.000 5.842) 6.153 3.552 ( 3.179 0.000 0.028) 3.179 3.649 ( 5.011 0.000 -3.596) 6.168 3.723 ( 1.142 0.000 -1.911) 2.226 3.784 ( -8.117 0.000 -5.056) 9.563 3.848 ( -6.221 0.000 1.139) 6.324 3.933 ( -9.104 0.000 -13.955) 16.662 3.989 ( 4.693 0.000 -10.542) 11.539 4.064 ( -4.829 0.000 2.395) 5.390 4.149 ( -5.716 0.000 5.868) 8.192 4.249 ( 4.609 0.000 -9.201) 10.291 4.354 ( -2.794 0.000 1.898) 3.378 4.504 ( -4.516 0.000 7.880) 9.082 4.646 ( 1.342 0.000 3.231) 3.499 4.859 ( -0.016 0.000 1.908) 1.908 4.933 ( 4.545 0.000 -0.921) 4.637 4.952 ( 3.008 0.000 -4.400) 5.330 5.029 ( 2.487 0.000 4.278) 4.948 5.298 ( 5.579 0.000 1.916) 5.899 5.610 ( 0.070 0.000 1.468) 1.470 5.663 ( 5.936 0.000 2.088) 6.292 5.750 ( 4.741 0.000 -6.635) 8.155 6.484 ( 13.890 0.000 12.993) 19.020 6.525 ( 0.061 0.000 6.041) 6.041 6.578 ( 3.852 0.000 9.213) 9.986 6.634 ( 3.609 0.000 2.519) 4.402 7.300 ( -0.035 0.000 7.527) 7.527 7.491 ( 3.634 0.000 1.613) 3.976 7.629 ( 1.684 0.000 -5.837) 6.075 7.917 ( -4.072 0.000 -0.983) 4.189 8.089 ( 5.695 0.000 0.778) 5.748 8.202 ( 4.328 0.000 1.388) 4.545 8.246 ( 9.251 0.000 0.743) 9.281 8.439 ( -3.766 0.000 -4.929) 6.203 8.472 ( 4.929 0.000 -0.800) 4.993 8.495 ( 1.844 0.000 -6.993) 7.232 8.651 ( -1.445 0.000 -2.922) 3.260 8.708 ( -3.762 0.000 2.844) 4.716 8.796 ( -5.004 0.000 -2.630) 5.653 8.796 ( -2.978 0.000 -0.489) 3.018 9.099 ( -6.989 0.000 1.778) 7.212 9.118 ( -5.091 0.000 5.988) 7.860 9.358 ( 5.754 0.000 9.031) 10.709 9.550 ( 4.639 0.000 -3.280) 5.682 9.646 ( -6.969 0.000 -1.027) 7.044 9.665 ( -2.065 0.000 4.527) 4.976 9.692 ( -0.423 0.000 -4.322) 4.342 9.798 ( -0.254 0.000 5.131) 5.138 10.035 ( -3.309 0.000 0.089) 3.311 10.111 ( -4.837 0.000 5.420) 7.265 10.160 ( 2.941 0.000 -7.171) 7.751 10.280 ( -0.098 0.000 -2.969) 2.970 10.376 ( -1.623 0.000 -0.882) 1.847 10.698 ( -2.737 0.000 -4.831) 5.552 11.141 ( -10.737 0.000 -14.519) 18.058 11.244 ( -9.177 0.000 -0.912) 9.222 11.509 ( 5.394 0.000 6.077) 8.126 11.590 ( -1.771 0.000 6.530) 6.765 11.687 ( -4.360 0.000 16.915) 17.468 11.769 ( 1.996 0.000 -2.577) 3.260 12.282 ( 0.905 0.000 2.986) 3.121 12.413 ( -5.135 0.000 -15.887) 16.697 12.659 ( 0.864 0.000 4.664) 4.744 12.686 ( -16.387 0.000 -19.711) 25.633 12.812 ( -4.051 0.000 -6.221) 7.423 13.229 ( 4.307 0.000 -3.528) 5.568 13.716 ( 0.055 0.000 -1.579) 1.580 13.791 ( 3.843 0.000 -3.613) 5.275 13.940 ( -20.736 0.000 0.340) 20.739 14.018 ( 3.916 0.000 -3.178) 5.043 14.021 ( 0.518 0.000 7.435) 7.453 14.575 ( -2.665 0.000 -7.307) 7.778 14.641 ( 9.679 0.000 0.517) 9.693 14.849 ( 2.804 0.000 6.921) 7.467 14.934 ( -3.660 0.000 -1.351) 3.902 15.460 ( -4.933 0.000 -0.349) 4.945 15.558 ( -6.052 0.000 6.009) 8.529 15.861 ( 10.529 0.000 -6.068) 12.152 17.468 ( -0.956 0.000 11.823) 11.862 17.762 ( 17.469 0.000 17.211) 24.523 18.036 ( 2.001 0.000 -5.242) 5.611 18.335 ( 3.859 0.000 -1.894) 4.299 19.290 ( 10.966 0.000 10.759) 15.362 19.379 ( 29.287 0.000 28.266) 40.703 19.660 ( 8.356 0.000 -9.592) 12.721 20.131 ( 9.698 0.000 6.275) 11.551 21.882 ( -4.169 0.000 1.785) 4.535 21.968 ( 2.829 0.000 -4.097) 4.979 22.257 ( -3.292 0.000 0.398) 3.316 22.271 ( 3.850 0.000 -1.539) 4.146 23.442 ( -9.695 0.000 -0.210) 9.697 23.926 ( -5.904 0.000 1.357) 6.058 24.003 ( -7.179 0.000 -3.150) 7.839 24.372 ( -38.013 0.000 -37.885) 53.668 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.370 22.411 21.439) 31.017 0.929 ( -6.557 23.338 22.592) 33.137 1.323 ( 5.658 30.471 33.787) 45.848 2.223 ( -2.694 4.795 -20.345) 21.076 2.407 ( 5.036 5.579 -14.370) 16.217 2.573 ( -0.284 -0.279 0.885) 0.971 2.789 ( 0.114 0.187 -0.491) 0.538 2.807 ( -0.898 1.089 -4.496) 4.713 2.863 ( 4.775 -2.236 5.212) 7.414 3.010 ( -0.505 2.849 6.859) 7.444 3.051 ( 2.302 -1.482 -1.126) 2.960 3.205 ( -4.792 -0.445 4.007) 6.262 3.221 ( -1.389 -0.168 -3.993) 4.231 3.347 ( -0.504 -1.073 -1.933) 2.268 3.488 ( -5.896 -4.114 0.734) 7.227 3.525 ( 0.143 -4.274 2.701) 5.057 3.575 ( 1.774 -2.825 -0.943) 3.466 3.689 ( -1.916 -3.493 -5.053) 6.435 3.731 ( 0.335 -2.267 -1.609) 2.800 3.777 ( 4.249 -1.841 -7.417) 8.744 3.826 ( -4.276 -2.251 -10.134) 11.228 3.864 ( -5.202 -1.211 1.320) 5.502 4.065 ( 0.169 -1.796 1.952) 2.658 4.198 ( 7.860 -0.247 -0.728) 7.898 4.241 ( 1.480 -4.208 -1.755) 4.794 4.297 ( 2.010 -2.906 -6.193) 7.129 4.505 ( -0.778 2.659 5.229) 5.918 4.696 ( -2.071 7.005 8.708) 11.366 4.880 ( -2.103 3.020 1.106) 3.843 4.931 ( 3.079 -2.445 1.316) 4.146 5.051 ( 3.591 -0.503 -1.364) 3.874 5.150 ( -0.760 6.289 2.605) 6.850 5.242 ( -3.386 -4.181 -0.064) 5.381 5.542 ( -4.744 -1.883 -0.857) 5.176 5.665 ( -2.209 -0.754 4.483) 5.054 5.862 ( 3.042 1.961 -1.895) 4.086 6.242 ( 0.520 -10.794 5.421) 12.090 6.476 ( 1.279 -13.169 5.671) 14.395 6.637 ( -0.671 -2.282 3.294) 4.063 6.947 ( -0.146 1.558 -1.680) 2.296 7.432 ( -1.924 5.663 -0.167) 5.984 7.563 ( -0.338 3.276 -0.875) 3.407 7.688 ( 0.260 0.950 -5.397) 5.487 7.889 ( 1.265 0.737 -0.016) 1.464 8.099 ( 4.312 -3.224 6.814) 8.684 8.284 ( 3.422 4.491 -0.870) 5.713 8.362 ( -1.089 -1.025 0.208) 1.510 8.439 ( 2.228 -3.987 -0.112) 4.568 8.499 ( 5.516 -3.103 -0.018) 6.329 8.510 ( -5.597 0.511 -7.803) 9.616 8.633 ( -1.279 0.258 2.259) 2.608 8.678 ( -8.402 2.651 -4.806) 10.036 8.747 ( 2.620 1.765 -2.584) 4.081 8.860 ( 2.038 7.024 -6.968) 10.102 8.943 ( -3.695 -0.319 6.346) 7.350 9.114 ( -1.586 5.844 4.131) 7.330 9.345 ( -4.159 -1.369 2.019) 4.822 9.473 ( 0.287 -5.188 -6.999) 8.717 9.495 ( 3.068 -8.678 5.646) 10.798 9.670 ( -4.983 0.932 1.594) 5.314 9.761 ( 1.282 -2.554 4.827) 5.609 9.836 ( -1.265 4.263 -4.221) 6.131 9.866 ( 0.126 2.093 -0.784) 2.239 10.031 ( 4.491 -11.835 1.486) 12.745 10.234 ( 0.631 10.032 4.868) 11.168 10.275 ( 2.207 -0.693 1.835) 2.953 10.486 ( 4.357 6.453 3.586) 8.572 10.655 ( -9.435 1.829 -13.300) 16.409 10.975 ( -2.975 2.733 0.361) 4.056 11.137 ( -1.080 6.153 -11.175) 12.803 11.525 ( -0.979 -2.585 7.184) 7.697 11.642 ( -1.136 5.921 6.093) 8.572 11.688 ( 5.366 2.085 13.763) 14.918 11.812 ( -0.759 4.081 3.080) 5.169 12.255 ( -0.626 -1.405 -3.490) 3.814 12.438 ( 1.804 -1.056 -12.983) 13.150 12.618 ( -3.421 -1.370 -2.161) 4.272 12.759 ( 2.385 -1.927 -4.406) 5.368 12.793 ( 8.116 17.410 -16.443) 25.285 13.333 ( 3.163 1.157 -3.640) 4.959 13.578 ( -5.399 -3.388 1.122) 6.472 13.811 ( 1.694 0.815 2.808) 3.379 13.856 ( 4.326 1.413 1.366) 4.752 14.078 ( 4.326 1.358 -1.851) 4.897 14.197 ( 7.917 0.752 -4.057) 8.928 14.320 ( -12.048 -4.352 -3.557) 13.295 14.633 ( 0.337 -6.189 5.034) 7.985 14.967 ( -1.156 4.429 1.163) 4.723 15.036 ( 1.580 1.956 2.381) 3.463 15.322 ( -2.316 -5.029 -0.701) 5.581 15.484 ( -1.064 2.497 0.941) 2.873 15.864 ( 1.223 -10.767 -2.105) 11.039 17.433 ( -1.441 -0.821 10.355) 10.487 17.808 ( 0.135 -13.872 15.839) 21.056 18.114 ( 1.348 2.951 -3.058) 4.458 18.337 ( -0.760 -2.783 -3.150) 4.272 19.336 ( -1.248 1.528 3.177) 3.740 19.559 ( 7.030 -37.985 35.568) 52.511 19.750 ( 3.270 -3.593 -8.385) 9.691 20.084 ( -4.025 -11.323 5.453) 13.197 21.889 ( 1.564 2.219 1.043) 2.908 22.147 ( -4.307 0.375 -1.871) 4.711 22.370 ( -4.193 7.593 -2.540) 9.038 22.461 ( 12.212 15.738 -10.799) 22.659 23.374 ( -0.963 -0.002 0.876) 1.301 23.660 ( -1.488 10.876 -16.277) 19.633 23.899 ( -3.933 4.522 -0.138) 5.994 23.985 ( -1.047 8.095 -5.180) 9.667 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 12.392 15.860 16.258) 25.873 1.095 ( 18.028 17.296 17.488) 30.496 1.870 ( 37.589 23.476 25.821) 51.291 2.198 ( 0.714 5.221 -16.940) 17.741 2.472 ( -0.036 3.179 -12.637) 13.031 2.569 ( -0.530 -0.326 0.568) 0.843 2.665 ( -5.077 4.395 -5.460) 8.655 2.832 ( -4.058 -2.265 3.431) 5.777 2.918 ( 2.058 -0.646 1.242) 2.489 2.974 ( -5.753 0.135 -0.568) 5.782 3.094 ( 3.016 0.828 1.411) 3.431 3.150 ( -2.040 -0.702 -0.601) 2.240 3.244 ( 6.319 -0.879 0.342) 6.389 3.366 ( 1.074 -2.649 0.516) 2.905 3.388 ( -0.394 -1.597 0.814) 1.835 3.501 ( -2.483 -4.597 0.521) 5.251 3.551 ( -3.006 -1.914 -0.358) 3.582 3.680 ( -2.050 2.352 -0.672) 3.191 3.698 ( -4.229 -2.666 -4.886) 6.990 3.789 ( 0.354 -3.097 -3.727) 4.859 3.839 ( 8.258 -1.173 -6.425) 10.528 3.908 ( 5.427 -3.794 -5.166) 8.399 4.084 ( 0.082 -3.816 0.177) 3.821 4.252 ( 1.680 2.180 2.411) 3.659 4.360 ( 6.523 -6.770 -3.416) 10.003 4.412 ( 9.239 -2.275 -2.080) 9.739 4.517 ( 2.177 0.244 1.573) 2.697 4.661 ( -0.962 7.425 9.109) 11.791 4.808 ( -4.354 0.220 1.670) 4.669 4.950 ( -1.299 -0.605 1.663) 2.196 5.084 ( -0.919 -0.728 2.303) 2.584 5.100 ( -4.418 4.861 2.060) 6.884 5.164 ( -2.602 4.153 0.684) 4.949 5.437 ( -5.320 -1.975 -2.569) 6.229 5.568 ( -8.428 0.301 1.026) 8.496 5.879 ( -1.100 1.652 -1.635) 2.572 6.248 ( 0.105 -9.728 4.167) 10.583 6.475 ( -1.757 -12.420 6.077) 13.938 6.597 ( -3.183 -1.084 3.043) 4.535 6.826 ( -8.581 5.841 2.353) 10.643 7.362 ( -2.929 4.939 1.997) 6.080 7.525 ( -1.029 6.752 -2.672) 7.333 7.723 ( 2.874 -0.675 -0.662) 3.025 7.892 ( -1.416 1.204 3.731) 4.168 8.026 ( -7.492 -3.220 2.189) 8.444 8.239 ( -8.627 9.137 -5.155) 13.583 8.336 ( -2.941 1.855 0.534) 3.518 8.353 ( -3.624 3.438 0.453) 5.016 8.502 ( -3.659 -3.653 -4.012) 6.544 8.570 ( 3.925 -4.105 -3.075) 6.458 8.648 ( 3.540 -1.590 -0.796) 3.961 8.710 ( 5.806 -1.418 1.193) 6.094 8.759 ( 3.404 -2.162 4.476) 6.024 8.928 ( 5.579 0.432 -3.960) 6.855 8.971 ( 4.030 -2.040 -1.491) 4.756 9.101 ( 0.655 3.316 4.282) 5.455 9.264 ( -4.390 7.654 2.275) 9.112 9.468 ( -2.141 0.123 -4.022) 4.558 9.552 ( -0.410 -5.649 0.072) 5.664 9.620 ( 3.642 -6.213 5.182) 8.872 9.766 ( -0.146 -3.141 2.747) 4.175 9.831 ( 0.594 -3.166 -2.519) 4.090 9.891 ( 2.366 5.010 1.408) 5.717 10.087 ( 1.013 -13.637 -1.406) 13.746 10.293 ( 3.386 9.348 4.292) 10.829 10.325 ( 2.748 6.897 4.216) 8.538 10.507 ( -4.233 -0.310 -9.905) 10.777 10.598 ( 5.097 1.822 1.042) 5.512 11.018 ( 6.018 1.975 -7.340) 9.695 11.173 ( 3.523 1.373 -5.599) 6.756 11.498 ( -2.057 -0.754 5.343) 5.775 11.654 ( 1.295 4.182 6.270) 7.647 11.794 ( -0.568 7.737 3.681) 8.587 11.838 ( 9.678 3.694 12.902) 16.546 12.252 ( 0.390 -1.891 -1.958) 2.750 12.454 ( -2.091 -1.390 -6.774) 7.224 12.512 ( -3.507 -0.184 -8.697) 9.379 12.812 ( 3.648 -3.789 -6.168) 8.106 13.035 ( 9.540 7.205 -16.298) 20.212 13.299 ( -4.218 2.640 -4.562) 6.750 13.557 ( -0.838 -8.306 2.401) 8.686 13.840 ( 3.333 -6.006 2.620) 7.352 14.010 ( 3.458 -2.834 -0.511) 4.499 14.072 ( 1.488 3.497 -0.029) 3.800 14.225 ( 5.649 5.681 0.897) 8.061 14.430 ( 9.449 -5.409 -5.344) 12.128 14.583 ( -1.197 -1.607 0.542) 2.076 14.869 ( -6.873 7.536 -5.320) 11.504 15.007 ( -3.971 -0.384 6.176) 7.353 15.345 ( 1.824 -4.202 -3.012) 5.483 15.515 ( 3.791 -0.164 0.410) 3.817 15.819 ( -4.587 -8.000 1.990) 9.434 17.400 ( -2.432 -0.430 9.829) 10.135 17.702 ( -8.681 -8.713 19.072) 22.695 18.116 ( -0.615 3.252 -3.147) 4.566 18.274 ( -5.363 -1.883 -3.706) 6.786 19.254 ( -8.389 0.238 5.555) 10.064 19.423 ( -11.240 -14.492 26.050) 31.859 19.743 ( -3.280 -2.709 -7.744) 8.836 19.907 ( -12.626 -7.971 1.829) 15.043 21.789 ( -4.705 0.104 0.206) 4.710 22.114 ( -1.071 -2.942 -0.799) 3.231 22.312 ( -2.973 9.376 0.897) 9.877 22.482 ( -7.463 16.243 -3.344) 18.185 23.451 ( 13.716 -6.024 1.497) 15.055 23.840 ( 4.549 -4.272 -1.925) 6.530 24.069 ( 8.675 4.058 -1.748) 9.736 24.226 ( 28.969 4.255 -25.903) 39.093 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 26.719 4.178 4.610) 27.433 1.515 ( 23.367 10.746 11.633) 28.228 2.229 ( 1.599 5.183 -10.388) 11.719 2.398 ( -3.949 -0.407 -10.650) 11.366 2.468 ( -5.115 3.798 -1.488) 6.543 2.554 ( 9.876 7.587 4.317) 13.181 2.638 ( -1.071 2.151 -1.642) 2.911 2.728 ( 1.735 3.197 1.237) 3.842 2.810 ( -0.752 4.172 2.778) 5.069 2.980 ( 4.688 -0.146 1.597) 4.954 3.118 ( 0.513 0.486 -3.317) 3.391 3.225 ( 6.335 -1.340 6.785) 9.379 3.322 ( -0.473 -5.770 2.863) 6.458 3.392 ( 3.532 -1.192 0.617) 3.778 3.445 ( 2.311 -0.696 1.346) 2.764 3.469 ( 1.246 -3.326 -1.353) 3.801 3.541 ( 2.531 -0.048 -0.841) 2.667 3.629 ( -1.345 -0.914 -6.392) 6.596 3.667 ( 0.689 4.604 0.789) 4.721 3.796 ( 0.026 -3.086 -2.030) 3.694 3.990 ( 4.096 -4.230 -1.532) 6.084 4.004 ( 3.658 -5.128 -4.185) 7.562 4.097 ( 5.062 -3.257 -1.724) 6.262 4.273 ( -0.838 4.457 1.878) 4.909 4.426 ( 0.939 -2.480 3.413) 4.322 4.577 ( 7.582 -3.227 -3.482) 8.946 4.622 ( 5.488 -4.297 0.180) 6.972 4.669 ( 1.219 2.240 2.766) 3.762 4.738 ( -2.350 -1.043 4.283) 4.995 4.890 ( -4.014 -0.212 2.849) 4.927 4.996 ( -3.932 1.891 2.927) 5.254 5.031 ( -6.378 6.562 -1.291) 9.241 5.143 ( 0.097 1.655 3.454) 3.831 5.315 ( -12.775 2.899 -0.660) 13.116 5.388 ( -2.837 0.854 -4.760) 5.607 5.830 ( -3.701 1.588 -3.674) 5.452 6.252 ( 0.189 -6.963 2.990) 7.580 6.422 ( -2.949 -7.622 4.481) 9.321 6.541 ( -2.245 -1.268 4.524) 5.208 6.715 ( -3.357 5.527 3.016) 7.136 7.340 ( -0.040 3.431 2.445) 4.213 7.532 ( 1.776 6.009 -2.830) 6.876 7.747 ( -1.613 -0.320 3.408) 3.784 7.835 ( -4.641 0.488 5.071) 6.891 7.936 ( 0.030 0.373 -4.228) 4.244 8.110 ( -6.354 5.434 -5.281) 9.889 8.220 ( -6.366 -2.190 2.176) 7.075 8.294 ( -2.796 4.175 -1.791) 5.335 8.429 ( -1.238 0.061 -7.229) 7.334 8.562 ( -3.640 -6.555 -4.431) 8.710 8.678 ( -1.437 -5.676 1.518) 6.049 8.798 ( 2.618 0.282 2.080) 3.355 8.874 ( 6.738 -3.232 5.713) 9.407 9.033 ( 4.121 -2.191 1.589) 4.930 9.079 ( 5.192 3.770 -5.180) 8.247 9.147 ( 1.601 0.770 -2.843) 3.353 9.192 ( 0.464 9.774 6.682) 11.849 9.401 ( -3.048 -3.056 0.714) 4.375 9.543 ( -1.063 1.388 0.657) 1.868 9.687 ( 1.364 -4.471 0.230) 4.680 9.790 ( 3.088 -10.598 1.386) 11.125 9.853 ( 1.773 -10.911 3.271) 11.528 9.950 ( 2.695 2.709 1.702) 4.183 10.094 ( 0.754 -9.238 -3.530) 9.918 10.323 ( -0.244 2.024 5.997) 6.334 10.401 ( 4.875 10.924 1.144) 12.017 10.471 ( -0.025 -3.709 -4.454) 5.796 10.666 ( 2.180 0.649 -1.131) 2.540 11.126 ( 3.108 -2.252 -2.950) 4.841 11.294 ( 10.495 9.429 -8.033) 16.235 11.450 ( -2.898 0.619 3.729) 4.763 11.685 ( 1.963 2.686 5.802) 6.688 11.795 ( 0.743 10.918 3.945) 11.633 12.064 ( 12.563 4.238 12.437) 18.178 12.279 ( 2.638 -2.708 0.434) 3.805 12.326 ( -8.777 -5.668 -7.213) 12.696 12.506 ( 0.339 3.711 -9.961) 10.635 12.868 ( 1.798 -4.449 -3.094) 5.710 13.060 ( -6.135 -0.897 -1.865) 6.475 13.244 ( -1.183 4.992 -8.815) 10.199 13.506 ( -1.816 -7.244 2.632) 7.919 13.894 ( -4.968 1.639 0.787) 5.290 14.012 ( 10.223 -6.611 -2.428) 12.413 14.208 ( 3.038 -0.402 -5.932) 6.677 14.310 ( -5.307 -2.107 2.800) 6.360 14.479 ( 10.279 -2.806 6.423) 12.441 14.667 ( -1.176 4.965 -4.898) 7.073 14.853 ( 5.814 -0.791 -1.447) 6.044 14.985 ( 7.614 5.833 -4.481) 10.586 15.299 ( -6.330 -3.383 -4.616) 8.534 15.579 ( -0.163 -6.253 0.561) 6.280 15.728 ( -3.825 -2.626 2.400) 5.223 17.341 ( -3.661 0.095 10.381) 11.008 17.575 ( -4.244 -4.135 17.298) 18.284 18.101 ( -0.932 2.181 -2.733) 3.618 18.155 ( -5.845 0.527 -4.511) 7.402 19.080 ( -7.329 1.667 7.386) 10.538 19.286 ( -5.195 -2.297 10.994) 12.374 19.607 ( -10.445 -3.379 -2.568) 11.274 19.708 ( -5.960 -1.960 -5.819) 8.557 21.759 ( 0.799 -5.002 0.109) 5.067 22.051 ( -5.628 -3.455 -0.235) 6.607 22.234 ( -3.647 10.175 1.644) 10.933 22.364 ( -4.607 8.722 -1.465) 9.972 23.724 ( 12.181 -4.591 4.602) 13.807 23.953 ( 6.770 -5.458 0.193) 8.698 24.261 ( 10.384 4.231 -3.172) 11.653 24.604 ( 11.214 -1.760 -19.145) 22.257 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 24.733 0.668 0.718) 24.753 1.954 ( 20.714 6.941 6.227) 22.716 2.094 ( -17.608 0.205 -4.782) 18.247 2.283 ( -11.492 5.726 -1.251) 12.901 2.368 ( 1.278 0.885 -6.330) 6.518 2.470 ( -2.186 2.015 -7.840) 8.385 2.575 ( -6.018 1.362 -1.170) 6.281 2.625 ( -3.828 4.182 -6.154) 8.368 3.000 ( 2.597 -1.587 -1.330) 3.322 3.107 ( 0.252 -1.206 -0.919) 1.537 3.235 ( 9.344 1.886 4.425) 10.510 3.265 ( -4.352 -4.435 1.148) 6.319 3.391 ( 9.958 -0.071 4.613) 10.975 3.436 ( 1.334 -1.958 -2.955) 3.787 3.486 ( 1.813 -2.128 5.208) 5.911 3.516 ( 2.255 -2.734 0.086) 3.545 3.584 ( 1.064 2.651 -0.312) 2.873 3.706 ( 6.342 -0.171 -0.902) 6.408 3.711 ( 5.904 1.675 -2.016) 6.460 3.805 ( 2.738 0.739 2.160) 3.565 3.989 ( -1.869 -4.547 0.225) 4.922 4.070 ( 3.469 -4.775 -2.284) 6.328 4.178 ( -9.725 1.856 3.316) 10.441 4.246 ( 6.737 -1.530 2.453) 7.331 4.460 ( 4.239 0.872 2.095) 4.808 4.547 ( -10.074 -4.103 6.436) 12.639 4.670 ( -3.151 0.926 0.843) 3.391 4.705 ( -1.703 -0.828 1.816) 2.624 4.720 ( 5.568 -3.603 -2.909) 7.242 4.840 ( -9.501 1.666 3.760) 10.353 4.869 ( -1.023 5.198 -3.256) 6.218 4.987 ( 2.395 3.686 1.159) 4.546 5.129 ( -0.758 -0.340 -1.161) 1.428 5.151 ( -1.135 1.266 4.806) 5.098 5.395 ( 2.066 3.722 -7.509) 8.632 5.752 ( -3.498 2.072 -6.440) 7.616 6.251 ( -0.553 -4.480 2.771) 5.297 6.388 ( -0.662 -6.329 2.981) 7.027 6.513 ( -0.798 -1.394 4.600) 4.872 6.675 ( -1.080 4.793 2.804) 5.657 7.347 ( 0.577 3.636 3.052) 4.782 7.585 ( 2.650 5.317 -0.240) 5.946 7.678 ( -2.947 2.609 1.613) 4.254 7.740 ( -6.264 0.899 -1.489) 6.501 7.969 ( 2.478 0.301 -4.930) 5.526 8.008 ( -1.761 3.055 -2.134) 4.121 8.127 ( -3.119 -2.020 3.799) 5.314 8.290 ( 2.021 -0.335 -4.515) 4.958 8.445 ( 2.349 -2.110 -6.859) 7.551 8.508 ( -1.275 -6.345 -2.831) 7.064 8.589 ( -6.008 -4.391 1.452) 7.582 8.783 ( -4.150 4.447 -1.682) 6.311 8.988 ( 3.100 -2.208 3.035) 4.868 9.043 ( -0.964 5.983 -0.415) 6.074 9.117 ( 2.067 -1.613 4.097) 4.864 9.219 ( 4.014 3.890 -0.594) 5.621 9.271 ( 4.090 3.614 2.465) 5.989 9.375 ( 0.671 -5.171 1.643) 5.467 9.504 ( -2.693 1.295 3.807) 4.839 9.690 ( -0.188 -3.520 -3.746) 5.144 9.851 ( 1.949 -13.991 2.473) 14.341 9.888 ( 0.846 -15.061 3.573) 15.502 9.968 ( -0.004 -1.260 3.329) 3.559 10.136 ( 3.052 -2.942 -4.994) 6.551 10.288 ( -3.572 -2.133 5.403) 6.819 10.458 ( -1.458 -1.977 3.787) 4.514 10.508 ( 4.824 4.581 -0.993) 6.726 10.691 ( 0.805 2.164 -5.485) 5.952 11.178 ( 3.705 0.179 3.105) 4.838 11.385 ( -2.958 3.807 0.944) 4.913 11.511 ( 8.965 14.500 -6.540) 18.259 11.720 ( 0.816 10.792 1.834) 10.977 11.847 ( 5.188 0.556 6.157) 8.071 12.089 ( -11.107 -8.090 -9.303) 16.594 12.324 ( 3.984 -3.766 2.354) 5.966 12.349 ( 7.279 0.210 4.093) 8.354 12.492 ( -0.236 4.081 -1.612) 4.394 12.864 ( -2.765 -1.983 -2.526) 4.238 12.905 ( -6.356 -4.326 6.467) 10.046 13.222 ( -1.375 5.284 -9.931) 11.333 13.519 ( 2.642 -4.192 0.491) 4.980 13.848 ( 0.193 4.448 -0.841) 4.531 14.068 ( -2.154 -2.501 -2.206) 3.970 14.168 ( -7.116 2.156 2.117) 7.731 14.329 ( 5.777 -7.729 -1.152) 9.718 14.525 ( -2.051 2.793 -8.491) 9.171 14.732 ( 4.028 -5.982 3.470) 8.003 15.014 ( 12.049 -2.778 -1.150) 12.419 15.157 ( -5.571 -1.159 -2.825) 6.353 15.229 ( 10.870 3.461 -2.791) 11.744 15.446 ( -10.484 -6.358 -0.069) 12.262 15.690 ( -1.873 0.174 -1.817) 2.615 17.289 ( -1.373 0.595 11.450) 11.547 17.531 ( -1.298 -3.038 14.308) 14.685 18.045 ( -3.342 0.983 -4.341) 5.566 18.114 ( 0.847 2.742 -2.460) 3.780 18.986 ( -3.030 2.399 4.048) 5.597 19.213 ( -2.259 -0.447 7.720) 8.056 19.437 ( -5.948 -1.269 -4.146) 7.361 19.644 ( -0.458 -0.987 -4.946) 5.064 21.801 ( 2.881 -5.252 0.499) 6.011 21.933 ( -4.992 -4.014 -0.957) 6.476 22.195 ( -1.020 6.806 1.640) 7.075 22.293 ( -2.166 6.764 -0.840) 7.152 23.879 ( 3.288 -3.183 4.192) 6.206 24.063 ( 3.657 -6.095 1.811) 7.335 24.422 ( 5.023 3.548 -5.028) 7.943 24.719 ( 2.988 -0.528 -11.275) 11.676 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -24.256 0.830 -2.455) 24.394 1.949 ( -20.622 9.418 4.789) 23.171 2.201 ( 11.084 1.362 -2.203) 11.383 2.323 ( 15.411 0.616 -0.354) 15.428 2.408 ( 2.501 1.436 -4.826) 5.621 2.494 ( 3.539 2.200 -3.493) 5.438 2.532 ( -1.365 2.661 -6.988) 7.601 2.581 ( 4.289 4.924 -5.939) 8.827 3.008 ( -1.167 -0.562 -1.629) 2.081 3.110 ( 0.097 -1.297 -1.212) 1.778 3.145 ( -8.875 0.133 3.069) 9.391 3.323 ( 2.284 -4.299 2.347) 5.404 3.404 ( -11.148 -0.048 8.572) 14.063 3.454 ( -5.035 -1.203 2.598) 5.792 3.470 ( -0.744 -2.154 -2.513) 3.392 3.523 ( -0.157 -3.503 -3.336) 4.840 3.582 ( -0.812 -0.731 1.248) 1.659 3.718 ( -5.413 4.771 5.587) 9.126 3.808 ( 3.471 -8.296 -2.460) 9.323 3.845 ( -0.342 1.751 -5.993) 6.253 3.977 ( 0.860 0.159 -0.088) 0.879 4.085 ( 6.005 3.122 3.842) 7.782 4.137 ( 1.198 -5.628 4.164) 7.103 4.301 ( -2.364 -1.068 3.964) 4.738 4.373 ( -3.917 1.329 1.069) 4.272 4.521 ( -7.828 -4.100 1.061) 8.900 4.533 ( -4.487 0.488 -4.235) 6.190 4.688 ( -2.865 -2.669 2.138) 4.461 4.766 ( 3.362 1.361 5.245) 6.377 4.829 ( 1.841 4.960 -0.716) 5.339 4.860 ( 8.505 0.293 -1.306) 8.610 5.068 ( -0.762 0.022 1.488) 1.672 5.098 ( 2.866 5.973 -0.794) 6.672 5.229 ( 6.698 -2.865 5.796) 9.309 5.450 ( 4.186 4.017 -7.090) 9.161 5.712 ( -0.439 2.123 -7.355) 7.668 6.236 ( -0.899 -4.344 2.993) 5.352 6.383 ( -0.122 -8.309 3.595) 9.054 6.521 ( 1.597 0.396 3.175) 3.576 6.673 ( 0.840 5.938 3.481) 6.934 7.360 ( 0.664 4.943 3.668) 6.191 7.559 ( -3.150 3.623 1.908) 5.167 7.617 ( -4.542 0.348 -3.622) 5.820 7.735 ( 5.845 4.061 -1.061) 7.196 8.002 ( 0.052 -1.215 -4.095) 4.272 8.044 ( 3.962 1.184 -1.677) 4.462 8.130 ( 5.016 -0.493 3.096) 5.915 8.343 ( 3.054 1.273 -5.486) 6.407 8.422 ( -5.896 -4.013 -1.345) 7.258 8.511 ( 2.886 -3.781 -2.846) 5.543 8.555 ( 1.777 -3.991 -3.675) 5.709 8.706 ( -1.580 2.257 -1.128) 2.977 8.965 ( -4.422 -0.263 2.794) 5.237 9.039 ( -1.671 6.236 -0.099) 6.457 9.136 ( -0.096 -2.398 4.059) 4.715 9.273 ( 1.700 0.266 0.961) 1.971 9.305 ( -1.072 4.110 1.140) 4.398 9.422 ( 2.389 -0.930 3.007) 3.951 9.491 ( 3.625 -0.929 4.785) 6.074 9.678 ( -1.405 -6.903 -3.624) 7.922 9.811 ( -4.768 -10.052 0.523) 11.137 9.916 ( 1.662 -13.374 3.157) 13.842 9.973 ( -0.411 -0.516 4.127) 4.180 10.151 ( -4.079 -10.130 -4.862) 11.954 10.218 ( -1.262 -0.385 2.339) 2.686 10.403 ( -3.637 -2.380 3.527) 5.597 10.551 ( -0.952 8.656 1.771) 8.886 10.729 ( 3.662 0.711 -4.678) 5.984 11.276 ( 4.827 3.894 7.436) 9.683 11.330 ( -1.872 1.719 -2.854) 3.822 11.579 ( -2.568 17.900 -3.294) 18.381 11.741 ( 2.434 14.695 -0.980) 14.927 11.834 ( -8.062 -6.002 -3.706) 10.712 12.045 ( 7.265 -9.656 2.253) 12.292 12.150 ( -14.170 -2.252 4.856) 15.148 12.510 ( 0.018 2.205 2.559) 3.378 12.561 ( 8.203 0.241 -5.322) 9.781 12.808 ( 0.447 -4.946 -2.055) 5.374 12.857 ( -1.123 -3.520 6.648) 7.606 13.188 ( -1.299 4.582 -10.999) 11.986 13.580 ( 2.911 -2.627 0.590) 3.965 13.857 ( -0.786 3.941 -0.198) 4.023 14.014 ( -5.838 -2.782 0.058) 6.467 14.107 ( 5.112 5.793 -3.584) 8.516 14.341 ( -2.918 -8.634 1.533) 9.242 14.469 ( -4.135 0.620 -7.892) 8.931 14.796 ( 2.550 -1.546 1.753) 3.459 14.947 ( -16.322 2.523 -1.701) 16.603 15.213 ( 7.115 -10.392 -0.553) 12.607 15.337 ( -3.813 0.300 -2.384) 4.507 15.389 ( 8.427 -3.991 -0.364) 9.332 15.670 ( 1.105 2.192 -2.792) 3.718 17.306 ( 2.937 0.176 12.940) 13.270 17.517 ( -0.693 -2.613 12.937) 13.216 18.013 ( 0.091 2.830 -4.990) 5.738 18.152 ( 3.088 0.665 -1.615) 3.548 18.955 ( -0.106 2.417 4.844) 5.414 19.213 ( 1.932 0.310 6.071) 6.379 19.391 ( 1.421 -0.509 -5.766) 5.960 19.697 ( 5.961 -2.031 -2.922) 6.942 21.795 ( -2.922 -4.755 0.349) 5.592 21.947 ( 5.826 -5.463 -0.715) 8.019 22.179 ( -0.414 8.339 1.213) 8.437 22.302 ( 2.907 6.299 -0.477) 6.954 23.847 ( -6.628 -2.755 3.089) 7.814 24.072 ( -2.907 -6.667 1.868) 7.510 24.413 ( -5.558 4.124 -4.937) 8.502 24.759 ( 1.117 -1.218 -10.222) 10.354 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -22.383 5.818 5.384) 23.745 1.513 ( -23.608 13.020 9.210) 28.490 2.285 ( 1.092 2.297 -11.303) 11.586 2.415 ( -4.371 1.154 -11.784) 12.621 2.450 ( -4.864 4.137 -3.847) 7.455 2.525 ( -2.383 6.561 0.647) 7.010 2.605 ( 6.062 0.551 4.281) 7.442 2.748 ( -10.974 8.204 6.730) 15.265 2.779 ( 1.055 3.443 -0.848) 3.700 2.985 ( -0.729 -1.332 0.917) 1.774 3.106 ( -1.454 0.718 -1.017) 1.914 3.159 ( -3.634 1.208 6.993) 7.973 3.366 ( 1.513 -7.117 1.034) 7.349 3.391 ( -2.926 -4.556 2.058) 5.792 3.452 ( -0.202 -3.063 -3.480) 4.640 3.523 ( -4.012 -0.640 2.874) 4.976 3.558 ( 2.741 -1.540 -1.292) 3.399 3.686 ( 0.717 0.025 -1.198) 1.396 3.802 ( -3.488 -8.981 -1.292) 9.721 3.884 ( 3.118 1.976 -7.224) 8.112 4.018 ( -5.979 1.034 5.022) 7.877 4.036 ( 0.907 -4.019 -1.600) 4.420 4.194 ( -4.378 -1.530 -0.513) 4.666 4.237 ( -2.426 -4.899 -1.228) 5.603 4.256 ( -8.782 2.398 3.721) 9.835 4.339 ( -4.980 1.332 -7.002) 8.695 4.531 ( 2.564 -0.813 -0.121) 2.693 4.675 ( 2.334 -0.226 2.484) 3.416 4.777 ( -0.314 -2.268 1.242) 2.604 4.861 ( 0.753 1.914 3.649) 4.189 4.966 ( -1.110 1.122 -0.187) 1.589 5.099 ( 5.076 5.056 3.535) 7.989 5.180 ( 4.065 3.022 -1.913) 5.414 5.419 ( 12.536 -2.175 5.772) 13.972 5.555 ( 5.936 1.740 -0.472) 6.204 5.718 ( 1.070 1.654 -7.913) 8.155 6.223 ( -0.350 -6.070 3.787) 7.163 6.393 ( 1.267 -9.687 4.601) 10.799 6.569 ( 2.969 0.385 2.806) 4.103 6.714 ( 3.680 8.644 4.136) 10.265 7.378 ( 1.264 7.081 4.261) 8.360 7.507 ( -1.722 4.310 0.870) 4.722 7.592 ( 1.537 -1.961 -5.271) 5.830 7.836 ( 4.300 -0.967 3.567) 5.670 7.982 ( -2.063 -1.484 -2.410) 3.502 8.140 ( 7.418 2.681 -2.307) 8.218 8.303 ( -2.902 0.150 -3.360) 4.442 8.306 ( 9.554 1.011 0.648) 9.629 8.428 ( 4.525 3.322 -2.661) 6.212 8.536 ( -0.772 -4.013 -6.855) 7.981 8.591 ( 1.144 -1.031 -1.453) 2.118 8.724 ( 0.727 -4.481 1.381) 4.745 8.849 ( -5.549 1.079 5.292) 7.743 8.966 ( -5.189 4.940 -1.802) 7.388 9.112 ( -2.731 -2.280 2.044) 4.103 9.244 ( -3.887 1.031 0.970) 4.137 9.306 ( 1.980 -1.552 1.714) 3.044 9.470 ( 2.348 2.839 5.382) 6.523 9.607 ( -0.603 -6.793 1.519) 6.987 9.624 ( 2.471 -3.876 3.176) 5.587 9.729 ( -2.256 -5.820 -3.036) 6.942 9.920 ( -2.011 -9.001 3.158) 9.749 9.936 ( -3.461 6.030 2.107) 7.265 10.038 ( -4.926 -11.033 -7.829) 14.398 10.212 ( -0.182 -2.718 0.720) 2.817 10.343 ( -2.390 -1.497 2.578) 3.821 10.512 ( -2.434 9.534 2.362) 10.119 10.783 ( 1.105 4.459 -1.867) 4.959 11.265 ( -2.196 -0.275 -7.967) 8.269 11.362 ( -3.003 3.909 1.118) 5.055 11.494 ( -0.612 6.888 3.541) 7.769 11.687 ( -7.041 -0.374 3.335) 7.799 11.797 ( 2.511 10.372 0.163) 10.673 11.884 ( -11.825 2.023 5.882) 13.361 12.181 ( 5.807 -4.307 7.273) 10.255 12.460 ( -3.384 -0.433 -4.134) 5.360 12.660 ( 2.419 -0.043 -7.573) 7.950 12.809 ( -4.677 -3.902 -4.045) 7.312 12.869 ( 3.141 -4.553 -5.571) 7.851 13.191 ( 2.091 4.370 -7.385) 8.832 13.619 ( 1.302 -4.699 0.598) 4.912 13.813 ( -2.721 2.133 -0.567) 3.503 13.931 ( -2.372 -2.565 -1.680) 3.877 14.184 ( -2.511 7.024 -3.257) 8.139 14.277 ( -4.647 -6.196 1.056) 7.817 14.398 ( -2.203 -5.216 1.830) 5.951 14.677 ( -3.812 10.851 -6.077) 13.008 14.832 ( 1.113 -0.027 4.140) 4.287 15.140 ( -11.906 0.485 -4.677) 12.801 15.387 ( 7.141 -9.320 -1.242) 11.807 15.539 ( 4.985 -5.688 -0.413) 7.574 15.691 ( 0.725 0.617 0.329) 1.007 17.405 ( 5.916 -1.553 14.228) 15.487 17.519 ( 1.611 -2.345 14.256) 14.537 18.036 ( 2.016 3.483 -5.352) 6.696 18.226 ( 4.381 -1.477 -1.889) 4.994 19.003 ( 5.488 1.711 10.818) 12.250 19.271 ( 3.391 0.648 5.089) 6.149 19.481 ( 7.460 -1.162 -6.888) 10.220 19.856 ( 9.894 -4.935 -0.230) 11.059 21.755 ( -0.832 -5.242 0.039) 5.308 22.076 ( 6.360 -4.962 0.204) 8.069 22.196 ( 2.434 12.515 0.601) 12.764 22.380 ( 4.609 8.409 -0.809) 9.624 23.644 ( -13.507 -3.215 1.533) 13.969 23.970 ( -6.816 -7.079 0.707) 9.853 24.249 ( -10.158 5.002 -3.056) 11.727 24.707 ( -7.791 -3.502 -16.317) 18.417 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -5.746 17.750 20.680) 27.853 1.094 ( -18.425 18.898 15.757) 30.739 1.816 ( -39.700 22.086 22.131) 50.533 2.305 ( -4.767 3.195 -18.269) 19.149 2.329 ( 2.741 4.230 -16.457) 17.211 2.576 ( 0.686 1.311 1.670) 2.231 2.668 ( 6.492 3.354 -0.327) 7.314 2.763 ( 4.864 -1.930 1.693) 5.500 2.865 ( -0.118 1.685 -0.483) 1.757 2.999 ( 1.416 -0.925 3.557) 3.939 3.057 ( -2.563 1.061 1.000) 2.949 3.192 ( 3.895 0.897 -0.587) 4.039 3.315 ( -4.774 -2.669 3.672) 6.588 3.386 ( -1.998 -2.023 -2.184) 3.586 3.450 ( 1.637 -3.069 3.920) 5.241 3.489 ( 2.012 -5.703 -0.516) 6.069 3.637 ( 4.618 -0.924 -0.808) 4.778 3.693 ( -6.456 -6.108 -1.296) 8.982 3.716 ( 1.730 -2.504 -4.770) 5.658 3.842 ( -9.120 -1.549 1.053) 9.310 3.924 ( -3.967 -3.532 -9.569) 10.944 3.984 ( -6.995 1.441 -6.650) 9.759 4.053 ( 1.947 -1.053 -3.187) 3.880 4.150 ( -4.982 -0.363 4.471) 6.704 4.242 ( -0.423 -1.635 -0.071) 1.690 4.276 ( -0.134 -4.176 -4.067) 5.830 4.545 ( -2.262 2.561 2.796) 4.415 4.713 ( 0.560 6.138 6.090) 8.664 4.837 ( 5.893 -5.883 1.614) 8.482 4.870 ( 1.575 0.912 2.266) 2.906 4.982 ( 2.638 2.390 -2.693) 4.463 5.150 ( 0.922 8.531 2.239) 8.868 5.243 ( 2.245 -3.989 0.767) 4.641 5.596 ( 0.973 -1.317 1.066) 1.954 5.638 ( 4.567 -1.941 5.107) 7.121 5.775 ( 5.126 1.895 -5.309) 7.619 6.227 ( 0.628 -8.901 5.115) 10.286 6.434 ( 2.532 -11.493 5.181) 12.858 6.621 ( 1.999 -1.084 3.278) 3.989 6.834 ( 8.465 8.974 2.277) 12.544 7.418 ( 2.495 9.257 2.792) 9.986 7.509 ( 2.366 2.444 2.930) 4.489 7.644 ( 3.472 -0.242 -6.549) 7.416 7.916 ( -1.097 -0.070 1.330) 1.726 7.946 ( 4.645 -3.998 2.266) 6.534 8.243 ( 0.860 1.779 -1.037) 2.232 8.335 ( 8.184 0.351 -1.254) 8.287 8.456 ( -1.047 -3.764 -5.015) 6.357 8.483 ( 0.791 1.650 -5.180) 5.494 8.500 ( -1.805 2.954 2.092) 4.045 8.598 ( 5.794 3.080 -1.775) 6.797 8.683 ( -2.371 -3.886 2.305) 5.103 8.799 ( -3.483 0.467 -1.029) 3.662 8.893 ( -1.526 5.626 -0.131) 5.830 9.031 ( -5.049 -2.886 2.224) 6.226 9.172 ( -3.692 3.331 2.232) 5.451 9.366 ( 3.559 -2.434 2.418) 4.944 9.463 ( -3.477 -6.684 0.125) 7.535 9.526 ( -2.590 -6.420 2.088) 7.231 9.684 ( 2.104 1.288 3.761) 4.498 9.762 ( -0.168 2.014 -0.668) 2.128 9.860 ( -2.319 -4.883 0.581) 5.437 9.890 ( 0.446 8.124 3.309) 8.783 9.972 ( -1.399 -14.066 -9.456) 17.007 10.224 ( 1.320 -3.319 1.702) 3.957 10.298 ( -2.985 3.227 1.170) 4.549 10.466 ( -1.831 8.896 3.201) 9.630 10.768 ( -2.397 6.428 -3.903) 7.893 11.162 ( -11.128 -4.087 -7.984) 14.293 11.222 ( -5.884 5.609 -9.425) 12.446 11.555 ( -1.461 2.731 5.915) 6.677 11.592 ( 2.733 -2.008 15.744) 16.105 11.713 ( -6.125 5.856 5.131) 9.906 11.825 ( -0.037 5.965 1.085) 6.063 12.259 ( 1.476 -1.954 1.874) 3.083 12.421 ( -0.258 -0.848 -8.800) 8.844 12.656 ( -2.144 -0.494 -6.557) 6.916 12.705 ( -2.970 1.265 -8.049) 8.673 12.860 ( -4.131 3.491 -11.932) 13.100 13.250 ( 3.934 2.900 -3.716) 6.139 13.642 ( 0.559 -7.063 0.553) 7.106 13.782 ( 0.801 -1.344 -0.273) 1.588 13.949 ( -3.952 -0.186 1.472) 4.221 13.977 ( -6.442 2.618 -2.105) 7.266 14.153 ( -1.905 7.294 0.104) 7.539 14.472 ( 2.317 -9.561 -0.372) 9.845 14.646 ( -5.295 1.451 -1.644) 5.731 14.895 ( 6.494 2.894 4.874) 8.620 15.000 ( -0.738 4.888 -5.514) 7.405 15.410 ( -3.994 -5.094 0.306) 6.480 15.545 ( -3.779 -1.506 3.551) 5.400 15.770 ( 7.016 -8.216 -2.792) 11.159 17.451 ( -0.532 -1.404 10.918) 11.021 17.666 ( 11.187 -8.008 19.718) 24.043 18.076 ( 2.194 3.362 -4.730) 6.204 18.307 ( 3.533 -2.729 -2.566) 5.149 19.212 ( 16.881 -7.562 24.346) 30.575 19.328 ( 2.056 0.583 4.976) 5.415 19.638 ( 7.929 -2.271 -8.231) 11.652 20.039 ( 7.532 -9.152 3.677) 12.410 21.779 ( 4.022 -0.588 -0.015) 4.065 22.164 ( 2.652 -4.079 0.461) 4.887 22.270 ( 4.992 14.517 -0.536) 15.361 22.451 ( 1.234 13.213 -3.538) 13.734 23.395 ( -9.240 -3.577 -0.326) 9.913 23.844 ( -5.967 -6.936 -1.406) 9.257 24.057 ( -8.746 4.541 -1.871) 10.031 24.375 ( -27.434 0.391 -23.683) 36.244 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.170 20.150 22.215) 30.071 1.419 ( -1.420 27.028 14.291) 30.606 2.037 ( 2.951 39.937 12.599) 41.982 2.353 ( -1.189 8.275 -13.444) 15.831 2.514 ( 4.674 1.094 -4.998) 6.930 2.578 ( -2.734 4.094 -4.317) 6.547 2.759 ( 0.558 -2.528 2.508) 3.604 2.795 ( 2.234 -0.524 3.400) 4.101 2.896 ( 0.367 3.045 -4.287) 5.272 3.003 ( 0.352 -2.763 -0.561) 2.841 3.056 ( 2.026 1.395 4.919) 5.500 3.183 ( -4.442 -1.904 2.549) 5.464 3.218 ( -1.450 -1.642 -7.733) 8.037 3.315 ( 0.794 -1.606 -2.434) 3.022 3.363 ( -2.112 -4.425 -1.073) 5.019 3.456 ( -4.296 -4.083 1.493) 6.112 3.552 ( 8.926 -0.946 -0.902) 9.021 3.582 ( -7.603 -6.616 -4.842) 11.181 3.676 ( 0.892 -3.775 -3.061) 4.941 3.712 ( 1.918 -3.624 -0.267) 4.109 3.783 ( 0.648 -2.518 -1.463) 2.983 3.871 ( -6.531 0.321 -0.629) 6.569 4.005 ( 0.786 -5.041 -1.998) 5.480 4.115 ( 1.963 -5.094 -3.238) 6.347 4.182 ( 2.093 -3.234 3.500) 5.204 4.289 ( 3.838 1.999 -5.517) 7.012 4.544 ( -1.223 0.930 1.235) 1.971 4.781 ( -0.850 -7.099 5.873) 9.253 4.879 ( 1.683 4.933 8.156) 9.679 4.955 ( 0.125 2.622 0.576) 2.688 5.040 ( 1.083 1.119 2.797) 3.201 5.195 ( 1.595 0.775 -5.486) 5.766 5.307 ( -3.308 6.983 -1.693) 7.910 5.493 ( -4.575 -2.829 -0.410) 5.394 5.632 ( 0.059 -2.468 4.478) 5.113 5.885 ( 2.460 0.423 0.089) 2.498 6.114 ( 0.116 -4.426 0.397) 4.446 6.232 ( 0.856 -11.363 2.669) 11.704 6.572 ( -1.059 -3.465 2.791) 4.573 6.905 ( -1.017 -6.016 -1.801) 6.362 7.478 ( -2.137 1.845 -1.880) 3.392 7.614 ( 2.321 -0.774 -3.952) 4.648 7.774 ( 0.895 10.096 0.896) 10.175 7.897 ( 1.014 -0.022 -0.304) 1.059 8.087 ( 2.582 0.613 7.023) 7.508 8.258 ( -4.850 -4.856 -2.397) 7.270 8.342 ( 2.757 -1.684 4.231) 5.323 8.405 ( 2.002 -3.286 -0.668) 3.905 8.437 ( 1.296 1.468 -0.773) 2.105 8.551 ( 2.759 1.093 -0.935) 3.111 8.618 ( 2.608 -0.552 0.558) 2.724 8.702 ( -4.971 0.048 -4.141) 6.470 8.778 ( -3.620 1.634 -1.702) 4.321 8.884 ( -4.259 -1.544 -0.745) 4.591 9.003 ( 1.110 4.239 -0.630) 4.427 9.183 ( -1.218 2.031 0.833) 2.510 9.292 ( 2.057 -4.421 -1.003) 4.978 9.355 ( -3.423 -5.485 2.361) 6.883 9.441 ( 9.037 -0.463 -2.215) 9.316 9.585 ( -7.731 -5.085 -2.138) 9.497 9.704 ( -1.169 -6.916 1.189) 7.114 9.878 ( -0.183 8.876 2.304) 9.172 9.984 ( 1.990 5.681 0.336) 6.029 10.020 ( -3.281 2.873 3.600) 5.656 10.179 ( 8.836 -4.670 5.755) 11.533 10.372 ( 5.037 3.904 2.502) 6.847 10.645 ( 0.314 8.402 1.269) 8.504 10.716 ( -10.787 4.256 -8.639) 14.460 11.071 ( -0.996 6.137 -4.440) 7.640 11.187 ( -6.268 0.107 -6.941) 9.353 11.468 ( 0.535 -2.787 7.331) 7.861 11.651 ( 5.265 -1.020 14.672) 15.621 11.850 ( 0.681 8.904 -0.485) 8.943 11.957 ( -0.802 11.106 1.803) 11.280 12.253 ( 0.428 2.304 -4.062) 4.690 12.421 ( 1.374 0.748 -9.574) 9.701 12.571 ( -5.008 -3.392 -2.498) 6.544 12.682 ( 1.709 -6.165 -8.802) 10.881 13.009 ( 6.722 4.735 -9.669) 12.692 13.403 ( -0.450 4.305 -7.421) 8.591 13.448 ( -0.438 -7.664 8.285) 11.295 13.762 ( -0.609 -2.470 1.874) 3.160 13.988 ( 2.339 4.271 1.760) 5.178 14.099 ( 10.028 0.789 -5.127) 11.290 14.127 ( -4.092 -1.085 -5.442) 6.895 14.353 ( -7.464 3.565 -5.377) 9.866 14.548 ( 2.093 -0.884 12.690) 12.891 14.929 ( -0.583 -4.550 7.812) 9.059 15.104 ( 0.263 0.717 -4.426) 4.491 15.194 ( -2.588 -8.540 -0.855) 8.964 15.517 ( 0.011 0.917 -2.523) 2.684 15.663 ( 1.182 -8.879 0.673) 8.983 17.422 ( -0.998 -0.274 9.306) 9.363 17.591 ( 0.329 -8.316 18.343) 20.143 18.154 ( 0.780 1.014 -4.264) 4.452 18.276 ( 0.014 -3.419 -3.173) 4.664 19.244 ( 2.205 -3.224 15.622) 16.103 19.363 ( -1.227 1.142 3.054) 3.483 19.673 ( 2.578 -4.878 -5.378) 7.704 19.844 ( -2.868 -12.615 -0.284) 12.940 21.941 ( 1.285 3.144 2.483) 4.207 22.136 ( -2.555 -1.141 -0.215) 2.807 22.521 ( -3.318 8.170 -1.275) 8.910 22.631 ( 6.323 5.435 -3.909) 9.208 23.371 ( -1.172 -0.201 1.221) 1.704 23.660 ( 3.228 -5.446 -6.915) 9.375 24.010 ( -2.187 6.980 -0.378) 7.324 24.166 ( -1.854 7.363 -8.336) 11.276 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 3.548 23.279 13.015) 26.906 1.462 ( 10.106 22.015 16.218) 29.151 2.327 ( 4.603 10.772 -6.912) 13.601 2.408 ( 20.984 27.283 6.904) 35.105 2.477 ( -3.786 -2.833 -0.281) 4.736 2.626 ( 2.937 5.432 -6.129) 8.700 2.748 ( -2.465 3.486 -2.325) 4.862 2.786 ( -2.417 -1.670 2.692) 3.985 2.898 ( -1.365 -1.220 -3.250) 3.730 2.965 ( -4.373 -0.798 0.258) 4.453 3.092 ( 3.582 -0.970 6.468) 7.457 3.152 ( -2.724 -1.325 -9.601) 10.067 3.193 ( 3.681 -3.155 2.829) 5.614 3.338 ( 1.256 1.189 -0.694) 1.864 3.362 ( 2.332 -2.453 -2.860) 4.431 3.407 ( -1.868 -3.842 0.725) 4.333 3.464 ( -2.644 -5.258 -1.408) 6.051 3.656 ( 0.209 -2.135 -1.868) 2.845 3.685 ( -2.269 -4.792 -3.292) 6.241 3.766 ( 5.431 1.551 1.397) 5.819 3.794 ( 0.708 -4.451 -0.527) 4.538 3.834 ( 4.818 -1.691 -3.710) 6.312 4.018 ( -0.246 -1.999 -1.944) 2.799 4.203 ( 6.803 -8.247 -0.418) 10.699 4.252 ( 5.575 -2.636 -0.580) 6.194 4.418 ( 8.284 1.822 -1.696) 8.650 4.538 ( 0.718 1.789 -0.684) 2.046 4.720 ( -5.066 -5.028 5.340) 8.914 4.851 ( -4.527 4.990 4.955) 8.363 4.936 ( -1.165 0.325 3.971) 4.151 5.043 ( -1.351 -1.510 6.133) 6.460 5.204 ( -2.108 4.356 -2.346) 5.378 5.227 ( -3.521 0.552 -4.465) 5.713 5.428 ( -1.745 2.629 -1.339) 3.428 5.576 ( -6.226 0.423 1.305) 6.375 5.891 ( -1.491 -0.548 0.027) 1.589 6.122 ( 0.882 -4.504 0.566) 4.625 6.246 ( 0.433 -10.521 3.510) 11.099 6.550 ( -1.253 -2.744 1.926) 3.579 6.838 ( -4.971 -4.016 -0.907) 6.455 7.443 ( -1.402 4.403 -1.439) 4.840 7.644 ( 0.685 2.675 -2.700) 3.862 7.757 ( 0.422 6.043 -0.492) 6.077 7.916 ( -1.101 1.641 4.500) 4.915 8.022 ( -5.263 2.670 0.234) 5.906 8.189 ( -4.016 -9.594 1.130) 10.461 8.306 ( -8.006 -1.348 -2.775) 8.580 8.440 ( 1.749 1.904 3.724) 4.534 8.494 ( -3.227 -1.557 -2.718) 4.497 8.522 ( -1.758 -0.078 -3.855) 4.238 8.654 ( 6.931 -2.233 5.103) 8.892 8.692 ( 4.824 -3.189 3.305) 6.660 8.758 ( -2.920 7.668 -6.010) 10.171 8.904 ( 4.066 -2.386 -0.153) 4.717 8.962 ( -0.126 1.455 -3.402) 3.702 9.167 ( -0.290 4.455 0.018) 4.465 9.333 ( 1.068 -2.780 1.668) 3.413 9.369 ( 2.700 -9.118 3.561) 10.154 9.465 ( -3.736 -4.892 -0.938) 6.226 9.585 ( 4.894 0.208 -1.840) 5.232 9.681 ( -1.537 -3.517 -1.394) 4.084 9.799 ( -6.030 5.496 2.188) 8.447 9.966 ( -2.319 -0.976 3.215) 4.082 10.011 ( 2.250 4.628 1.916) 5.491 10.279 ( 1.728 -3.937 8.997) 9.972 10.507 ( -2.934 -0.489 -8.312) 8.828 10.521 ( 1.366 7.685 0.540) 7.824 10.671 ( 0.952 5.488 -4.656) 7.259 11.073 ( 1.506 4.131 -3.201) 5.439 11.162 ( 4.362 -1.483 -2.119) 5.071 11.483 ( 0.280 -1.212 6.948) 7.058 11.760 ( 3.916 6.487 4.953) 9.052 11.913 ( 6.885 4.926 7.396) 11.241 11.990 ( 3.416 9.801 1.516) 10.490 12.259 ( 0.429 3.655 -2.395) 4.391 12.408 ( -5.684 -2.218 -5.545) 8.245 12.511 ( 2.497 -0.027 -10.457) 10.751 12.740 ( 3.922 -3.593 -7.333) 9.059 13.090 ( -0.361 -1.818 -1.796) 2.581 13.326 ( -4.372 -6.347 -3.909) 8.642 13.457 ( -0.183 3.401 1.451) 3.702 13.743 ( 1.482 -3.555 1.668) 4.197 13.975 ( -4.377 -2.365 0.510) 5.001 14.118 ( 3.541 1.844 -4.540) 6.046 14.256 ( 0.222 -2.423 0.212) 2.442 14.393 ( 12.287 2.420 -1.515) 12.614 14.584 ( 4.145 3.070 4.454) 6.815 14.951 ( 0.908 -1.238 2.053) 2.563 15.000 ( -6.320 0.867 -4.444) 7.774 15.234 ( 2.777 -7.374 -2.600) 8.297 15.499 ( -2.090 -1.455 -1.765) 3.099 15.652 ( -1.225 -8.418 2.838) 8.968 17.395 ( -2.129 -0.021 9.467) 9.704 17.554 ( -3.689 -6.240 16.899) 18.388 18.154 ( -0.830 0.487 -4.242) 4.350 18.242 ( -2.932 -1.262 -3.385) 4.653 19.227 ( -4.375 -1.123 13.098) 13.855 19.311 ( -3.341 -0.251 3.896) 5.139 19.660 ( -4.367 -6.219 -3.428) 8.337 19.745 ( -5.775 -7.831 -3.022) 10.188 21.834 ( -8.348 3.726 1.032) 9.200 22.066 ( -3.927 -2.292 0.091) 4.548 22.471 ( -1.530 8.150 -0.005) 8.292 22.710 ( -5.851 7.266 -1.464) 9.443 23.376 ( 9.636 -1.597 0.379) 9.775 23.729 ( 3.426 -7.153 -1.393) 8.053 24.149 ( 10.819 4.901 -1.664) 11.994 24.308 ( 14.899 3.545 -11.982) 19.446 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 17.317 15.159 4.291) 23.411 1.755 ( 18.018 14.584 13.519) 26.835 2.370 ( 1.431 8.845 -5.776) 10.661 2.382 ( -4.843 -1.236 -4.015) 6.412 2.534 ( -9.234 2.314 -6.048) 11.278 2.607 ( -7.847 0.252 0.706) 7.882 2.708 ( -1.798 5.225 -2.672) 6.137 2.823 ( -3.916 3.082 -4.339) 6.608 2.885 ( 5.135 0.374 -0.383) 5.163 3.021 ( 12.757 5.527 8.702) 16.402 3.160 ( 4.842 5.854 -5.692) 9.493 3.164 ( 1.673 -6.579 1.638) 6.983 3.258 ( 2.273 -0.703 1.953) 3.078 3.340 ( 0.743 -7.192 2.615) 7.689 3.379 ( 2.361 -2.294 -1.843) 3.773 3.438 ( 2.731 0.659 3.485) 4.477 3.491 ( 4.069 -4.093 -0.479) 5.791 3.644 ( 0.844 0.212 -5.434) 5.503 3.667 ( 0.172 -1.393 0.097) 1.407 3.812 ( 2.083 -4.061 -1.033) 4.680 3.839 ( 2.840 -1.734 -4.094) 5.276 3.971 ( 3.622 1.102 4.844) 6.148 4.047 ( 6.919 -1.741 -3.421) 7.912 4.315 ( 3.331 -3.857 1.910) 5.442 4.376 ( 5.422 -1.361 2.608) 6.169 4.533 ( -0.258 -0.388 -3.333) 3.365 4.570 ( 2.387 -0.552 -1.521) 2.884 4.640 ( 0.805 -3.980 -0.082) 4.062 4.772 ( -3.061 2.112 5.296) 6.471 4.902 ( -1.697 1.690 3.360) 4.126 4.998 ( -2.709 -0.726 7.511) 8.018 5.131 ( -2.836 -0.911 0.939) 3.124 5.162 ( -5.572 4.230 -0.556) 7.018 5.389 ( -11.422 1.226 -0.843) 11.519 5.431 ( 1.213 6.680 -5.012) 8.439 5.842 ( -3.377 -0.767 -2.336) 4.177 6.150 ( 1.769 -4.034 1.318) 4.598 6.251 ( -0.033 -8.174 4.152) 9.169 6.525 ( -1.226 -0.671 1.052) 1.749 6.754 ( -3.125 -1.776 -0.239) 3.603 7.433 ( 0.500 6.646 -0.261) 6.670 7.662 ( 1.909 6.186 -2.567) 6.964 7.774 ( -0.992 3.091 3.440) 4.730 7.851 ( -3.226 1.915 0.958) 3.872 7.975 ( -0.800 3.296 -2.675) 4.320 8.104 ( -4.445 -6.775 2.131) 8.378 8.157 ( -5.618 -1.570 -3.948) 7.044 8.328 ( -5.924 0.946 -3.131) 6.766 8.423 ( -3.865 -3.745 -2.197) 5.813 8.562 ( -3.932 -4.442 -3.835) 7.064 8.611 ( -7.607 8.759 -1.074) 11.651 8.755 ( 5.528 -5.741 5.146) 9.486 8.832 ( 7.237 -0.408 1.067) 7.326 8.977 ( 5.367 -3.119 1.828) 6.472 9.100 ( 9.336 -1.143 -1.329) 9.499 9.167 ( 0.064 2.635 -3.636) 4.490 9.315 ( -1.863 -5.314 4.097) 6.964 9.393 ( -0.633 1.651 3.424) 3.854 9.458 ( 1.208 -9.384 1.534) 9.585 9.611 ( -2.438 -5.317 2.984) 6.567 9.648 ( -0.930 3.719 1.115) 3.992 9.705 ( -3.471 -0.197 0.425) 3.502 9.917 ( -2.207 -4.342 0.362) 4.884 10.098 ( 5.826 3.817 0.155) 6.967 10.268 ( -2.565 -4.194 7.556) 9.014 10.426 ( -1.262 -4.018 -7.900) 8.952 10.564 ( 0.354 6.054 -0.014) 6.064 10.705 ( 2.068 1.909 -8.492) 8.947 11.123 ( 3.824 3.513 0.558) 5.223 11.320 ( 10.493 -3.507 1.722) 11.197 11.484 ( -0.054 0.625 6.180) 6.212 11.804 ( 1.286 10.392 0.467) 10.481 12.021 ( -0.185 7.859 5.756) 9.743 12.103 ( 9.030 -3.086 5.095) 10.818 12.278 ( -2.159 5.831 -0.645) 6.251 12.284 ( -1.468 4.092 -4.666) 6.377 12.572 ( 2.516 3.008 -10.522) 11.229 12.797 ( 1.229 -3.090 -2.088) 3.927 12.986 ( -8.299 -5.557 4.146) 10.814 13.288 ( 0.901 -6.129 -4.257) 7.517 13.452 ( -0.408 5.264 -2.680) 5.921 13.856 ( 6.146 -8.902 -0.666) 10.838 13.903 ( 0.353 -1.100 2.424) 2.685 14.094 ( -4.245 -4.936 -4.012) 7.647 14.358 ( 10.138 0.967 4.040) 10.956 14.485 ( -1.863 3.919 2.690) 5.106 14.730 ( 1.061 1.311 -0.344) 1.721 14.855 ( -1.983 1.446 -8.337) 8.691 15.055 ( 9.694 0.495 -8.084) 12.632 15.222 ( -3.899 -4.126 -1.781) 5.950 15.446 ( -3.593 -6.786 1.475) 7.819 15.647 ( 0.437 -5.716 2.021) 6.079 17.346 ( -2.909 0.470 10.699) 11.097 17.494 ( -2.453 -4.014 14.235) 14.993 18.116 ( -2.721 0.273 -4.192) 5.006 18.190 ( -1.876 2.053 -3.959) 4.839 19.125 ( -5.261 2.997 6.249) 8.701 19.247 ( -3.338 -1.629 6.698) 7.659 19.525 ( -7.600 -4.614 -2.323) 9.189 19.656 ( -3.692 -3.604 -4.901) 7.116 21.726 ( -2.467 0.871 0.387) 2.644 21.971 ( -5.948 -4.168 0.215) 7.266 22.413 ( -4.569 8.220 1.333) 9.498 22.527 ( -8.910 7.544 -1.276) 11.745 23.639 ( 13.231 -3.743 2.787) 14.030 23.828 ( 6.316 -7.152 0.272) 9.546 24.350 ( 9.818 4.887 -2.513) 11.251 24.574 ( 10.679 -1.382 -11.224) 15.554 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 20.607 6.193 -0.604) 21.526 2.104 ( 10.166 8.074 4.418) 13.713 2.138 ( -11.556 5.377 -1.210) 12.803 2.378 ( -0.368 2.330 -3.304) 4.060 2.428 ( -8.341 4.766 -0.851) 9.645 2.496 ( 0.883 2.374 -0.983) 2.717 2.628 ( -4.076 4.342 -1.120) 6.060 2.728 ( -4.387 5.845 -4.105) 8.382 2.971 ( 4.140 -2.731 -1.852) 5.294 3.069 ( -2.329 -1.647 0.066) 2.853 3.158 ( -1.177 -6.088 -1.010) 6.283 3.237 ( 0.967 0.396 -3.224) 3.389 3.343 ( 0.087 -6.591 1.968) 6.879 3.394 ( 3.341 -5.895 2.673) 7.284 3.435 ( 4.062 -0.514 -2.887) 5.010 3.462 ( -1.030 -3.784 2.430) 4.613 3.569 ( 2.230 -7.673 -0.554) 8.010 3.683 ( 1.224 5.850 2.080) 6.329 3.745 ( 7.018 1.214 -2.861) 7.676 3.876 ( 3.773 -6.610 -9.633) 12.277 3.922 ( 8.095 3.376 3.283) 9.365 4.007 ( 1.337 3.802 5.776) 7.043 4.209 ( 5.491 -1.629 2.803) 6.377 4.246 ( -8.471 3.769 2.178) 9.525 4.412 ( -4.952 -6.799 3.365) 9.059 4.498 ( 3.465 0.036 2.965) 4.561 4.655 ( 0.173 -0.716 1.346) 1.535 4.667 ( 3.090 -1.665 -1.986) 4.033 4.733 ( -0.255 1.654 -0.131) 1.678 4.885 ( -4.542 2.766 2.597) 5.919 4.977 ( -2.903 4.842 2.495) 6.172 5.034 ( 2.176 2.303 4.045) 5.138 5.110 ( -0.084 -1.349 0.512) 1.445 5.189 ( -7.490 1.918 0.949) 7.789 5.477 ( 2.809 4.649 -6.433) 8.420 5.772 ( -3.219 -0.614 -5.185) 6.134 6.175 ( 0.265 -3.360 2.098) 3.971 6.245 ( -0.732 -6.692 4.036) 7.849 6.516 ( 0.477 0.951 0.499) 1.175 6.720 ( -0.455 -0.473 0.111) 0.666 7.455 ( 1.357 7.853 1.009) 8.033 7.697 ( -5.698 2.603 3.181) 7.026 7.728 ( 4.730 6.191 -3.853) 8.692 7.804 ( -3.177 5.063 -1.300) 6.117 7.949 ( -0.780 -3.313 -3.660) 4.998 8.053 ( -0.576 1.239 -2.177) 2.571 8.095 ( -1.644 -0.755 1.941) 2.653 8.283 ( 1.784 -0.261 -3.461) 3.903 8.383 ( -0.365 -4.701 -2.586) 5.378 8.421 ( -5.362 -2.610 -5.146) 7.877 8.504 ( -4.390 -2.687 1.264) 5.300 8.808 ( -2.318 -2.244 -1.276) 3.470 8.949 ( 3.801 -1.209 0.332) 4.002 9.067 ( 3.054 -2.566 4.472) 5.993 9.173 ( 1.699 4.110 -3.653) 5.755 9.271 ( 6.269 -2.375 0.411) 6.716 9.302 ( 2.264 -1.817 2.945) 4.135 9.365 ( -1.239 4.986 4.826) 7.049 9.456 ( -1.808 -10.807 1.508) 11.060 9.552 ( -3.125 -6.549 2.341) 7.625 9.609 ( -2.774 -3.394 6.536) 7.870 9.666 ( -1.202 -5.062 1.865) 5.527 9.914 ( 1.716 -4.464 0.521) 4.811 10.154 ( -2.034 -2.715 2.948) 4.494 10.231 ( 0.290 2.847 -0.103) 2.864 10.428 ( 0.321 -3.155 -3.085) 4.424 10.589 ( 2.970 2.916 -3.960) 5.745 10.718 ( -0.403 0.351 -10.276) 10.290 11.216 ( 5.419 3.886 5.560) 8.682 11.459 ( -0.057 4.120 2.826) 4.996 11.568 ( 11.980 -6.941 5.349) 14.843 11.790 ( -3.732 -0.371 0.628) 3.803 11.984 ( -2.069 8.076 3.866) 9.190 12.130 ( -4.402 8.400 -9.683) 13.554 12.290 ( -4.375 3.808 4.000) 7.045 12.319 ( 8.282 -2.089 6.880) 10.968 12.593 ( 0.702 6.658 -5.326) 8.554 12.784 ( -1.419 -5.361 4.308) 7.022 12.859 ( -4.307 -0.999 -1.973) 4.842 13.308 ( -0.503 -0.462 -13.234) 13.251 13.460 ( 2.326 0.321 3.066) 3.862 13.817 ( -2.594 -6.566 4.510) 8.378 14.065 ( 3.443 -2.122 1.525) 4.322 14.092 ( 7.772 -0.302 -2.703) 8.234 14.351 ( -9.024 4.378 -0.382) 10.037 14.561 ( 3.346 -0.068 -5.118) 6.115 14.627 ( -0.763 -2.492 -1.637) 3.078 14.884 ( 0.847 -9.756 -4.184) 10.649 15.140 ( 0.830 -0.807 -4.548) 4.693 15.304 ( 7.237 -0.268 -4.397) 8.473 15.324 ( -6.585 -2.353 4.036) 8.075 15.651 ( -0.208 -4.159 -1.199) 4.333 17.306 ( -1.182 1.107 11.976) 12.085 17.468 ( -0.838 -3.447 12.487) 12.982 18.071 ( -1.356 1.924 -4.240) 4.850 18.167 ( -0.526 2.325 -3.984) 4.642 19.047 ( -2.855 3.820 3.223) 5.756 19.202 ( -1.048 -0.681 6.940) 7.051 19.407 ( -4.072 -1.592 -3.543) 5.628 19.608 ( -0.703 -3.032 -4.053) 5.110 21.733 ( 2.720 -1.929 0.426) 3.361 21.848 ( -5.929 -4.207 -0.143) 7.271 22.337 ( -2.212 7.304 1.090) 7.709 22.411 ( -3.147 5.418 -0.617) 6.296 23.813 ( 4.046 -3.346 3.245) 6.172 23.932 ( 3.370 -7.101 1.233) 7.957 24.498 ( 4.555 4.146 -3.713) 7.192 24.703 ( 3.580 -1.197 -8.211) 9.037 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -19.403 8.114 -1.596) 21.092 2.120 ( -12.805 7.784 5.631) 16.008 2.279 ( 7.431 7.159 -1.944) 10.500 2.353 ( 9.086 2.596 -1.656) 9.594 2.421 ( 1.415 -0.179 -5.586) 5.766 2.538 ( 6.114 2.617 1.969) 6.936 2.631 ( 1.502 6.815 -1.392) 7.116 2.694 ( 3.560 6.811 -2.533) 8.092 3.002 ( -3.281 -1.229 -2.434) 4.266 3.056 ( 3.657 -4.122 0.898) 5.583 3.125 ( -2.930 -1.854 -0.945) 3.594 3.239 ( -0.432 -1.824 -2.396) 3.043 3.303 ( -3.739 -9.698 -0.110) 10.395 3.398 ( -3.311 -5.700 1.852) 6.847 3.418 ( 0.235 -2.666 -1.048) 2.874 3.507 ( 1.000 -3.958 1.359) 4.303 3.592 ( -1.996 -2.228 -2.775) 4.080 3.622 ( -6.044 1.724 1.294) 6.418 3.844 ( -2.389 -2.446 -0.716) 3.493 3.879 ( -3.205 4.680 -0.937) 5.749 3.971 ( 0.319 -2.070 -5.854) 6.218 4.045 ( -1.427 0.062 7.687) 7.818 4.142 ( 4.924 2.584 3.075) 6.354 4.245 ( -5.252 -4.573 1.903) 7.220 4.348 ( 1.718 -1.804 2.790) 3.740 4.457 ( -7.797 -3.177 2.229) 8.710 4.606 ( -4.821 4.470 -1.308) 6.703 4.641 ( -6.780 -0.562 1.191) 6.907 4.797 ( 5.011 1.805 2.512) 5.888 4.873 ( 7.219 2.306 1.200) 7.673 4.945 ( -2.048 5.188 -1.533) 5.784 5.070 ( -0.065 0.499 1.800) 1.869 5.170 ( 5.588 -2.401 7.386) 9.568 5.207 ( 9.220 4.375 -0.444) 10.215 5.518 ( 1.712 2.743 -4.941) 5.905 5.734 ( -0.564 -0.524 -6.225) 6.273 6.158 ( -1.723 -3.589 1.696) 4.327 6.225 ( -1.271 -7.008 3.673) 8.014 6.542 ( 1.869 1.582 0.563) 2.513 6.735 ( 1.947 0.269 0.910) 2.166 7.481 ( 1.610 7.589 1.444) 7.891 7.591 ( -4.314 1.296 -0.533) 4.536 7.708 ( -4.788 7.594 -0.505) 8.992 7.831 ( 4.017 5.057 -2.390) 6.887 7.971 ( 0.683 -2.242 -5.428) 5.912 8.072 ( 3.141 2.752 2.373) 4.803 8.105 ( 4.444 -2.376 -0.952) 5.129 8.330 ( -2.047 -3.789 -4.085) 5.936 8.359 ( 1.854 -7.335 -4.880) 9.003 8.413 ( 5.171 2.050 -1.192) 5.689 8.523 ( 4.959 -0.398 2.458) 5.549 8.711 ( -4.537 -2.535 -3.735) 6.401 8.948 ( -4.125 -0.698 0.962) 4.293 9.100 ( 0.807 -1.589 4.406) 4.753 9.156 ( -3.615 1.779 -2.291) 4.635 9.253 ( -4.556 0.079 1.790) 4.895 9.373 ( -4.194 -3.455 1.158) 5.556 9.448 ( 5.980 -4.296 1.216) 7.463 9.456 ( 8.537 4.001 3.480) 10.050 9.488 ( -3.242 -8.468 4.760) 10.241 9.548 ( -2.102 -8.894 2.379) 9.444 9.685 ( 2.986 -9.019 4.026) 10.318 9.946 ( 0.603 -2.636 0.526) 2.755 10.094 ( -2.705 -1.635 3.079) 4.413 10.227 ( -1.773 3.996 -2.339) 4.958 10.388 ( -4.252 -2.398 -0.626) 4.922 10.652 ( 1.170 3.540 -3.661) 5.226 10.736 ( 5.228 0.320 -10.009) 11.296 11.318 ( 4.171 0.690 11.616) 12.362 11.406 ( -5.346 6.009 0.848) 8.088 11.683 ( -4.514 -9.338 -2.028) 10.568 11.824 ( 9.216 -0.187 2.885) 9.659 11.928 ( -3.911 9.434 -3.349) 10.748 12.064 ( -1.807 8.672 -0.808) 8.895 12.116 ( -8.505 3.199 11.332) 14.526 12.513 ( 9.832 -4.739 -1.225) 10.983 12.574 ( -2.614 4.867 0.304) 5.532 12.715 ( -5.856 -4.174 -2.708) 7.685 12.839 ( 0.892 1.783 -2.493) 3.193 13.295 ( 0.825 4.585 -12.638) 13.469 13.497 ( -0.071 -6.089 4.135) 7.361 13.810 ( 1.251 -3.694 4.141) 5.688 14.031 ( -6.442 0.024 2.525) 6.919 14.190 ( -6.347 -3.456 1.268) 7.337 14.257 ( 8.330 7.057 -5.495) 12.223 14.461 ( -6.150 -0.827 -6.081) 8.688 14.746 ( 5.112 -3.306 -0.455) 6.105 14.947 ( 3.907 -7.468 -5.598) 10.118 15.049 ( -6.452 -1.664 -0.417) 6.677 15.272 ( 0.391 -6.805 -5.452) 8.729 15.372 ( -0.352 2.017 2.827) 3.491 15.665 ( 1.508 -2.727 -1.580) 3.494 17.314 ( 1.796 0.690 12.795) 12.938 17.462 ( -0.125 -2.985 11.927) 12.295 18.066 ( 0.931 2.677 -4.393) 5.228 18.169 ( 0.793 0.839 -4.012) 4.175 19.020 ( 0.164 4.289 3.870) 5.780 19.218 ( 2.391 0.114 6.086) 6.539 19.378 ( 1.304 -0.710 -4.544) 4.780 19.637 ( 3.769 -4.299 -3.009) 6.461 21.732 ( -2.856 -1.872 0.392) 3.438 21.851 ( 6.169 -4.417 -0.094) 7.588 22.335 ( 1.941 7.676 0.991) 7.980 22.415 ( 3.633 5.295 -0.459) 6.438 23.789 ( -6.466 -2.908 2.472) 7.508 23.934 ( -3.320 -7.310 1.294) 8.132 24.495 ( -4.606 4.380 -3.704) 7.357 24.729 ( -0.841 -1.907 -7.501) 7.785 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -12.427 17.083 6.087) 21.984 1.780 ( -18.674 15.008 11.794) 26.703 2.335 ( 1.803 2.054 -7.479) 7.962 2.450 ( -0.261 2.431 -4.121) 4.791 2.514 ( 3.797 3.349 -9.089) 10.404 2.628 ( 6.971 3.166 0.468) 7.670 2.704 ( 1.418 9.917 -0.281) 10.022 2.827 ( 6.819 0.759 0.799) 6.908 2.901 ( -11.819 1.786 2.281) 12.169 2.988 ( -8.175 3.382 4.044) 9.728 3.134 ( 3.382 1.938 -4.307) 5.809 3.196 ( -7.375 2.756 4.081) 8.868 3.240 ( -1.518 -6.108 -0.674) 6.330 3.282 ( -3.314 -2.588 1.758) 4.557 3.372 ( -1.419 -4.345 -4.056) 6.111 3.474 ( -0.630 -3.377 2.745) 4.397 3.526 ( 0.824 -3.094 -1.191) 3.416 3.611 ( -0.823 -6.856 -1.762) 7.126 3.714 ( -4.289 -0.626 -1.819) 4.700 3.918 ( 1.021 0.369 -3.509) 3.673 3.949 ( -3.972 -5.224 -2.119) 6.896 3.994 ( -4.087 -4.302 6.073) 8.491 4.108 ( -7.021 -4.343 2.792) 8.715 4.172 ( -3.959 -2.578 0.911) 4.812 4.284 ( -4.599 0.769 2.933) 5.508 4.394 ( -5.010 4.126 -8.631) 10.799 4.541 ( 0.939 -2.276 -0.088) 2.464 4.604 ( 5.153 -0.216 -1.636) 5.410 4.817 ( -2.058 3.105 4.899) 6.154 4.879 ( 0.236 0.404 4.552) 4.576 5.026 ( 1.786 4.586 2.081) 5.343 5.103 ( 3.867 -2.967 -1.283) 5.040 5.298 ( 5.167 7.178 4.325) 9.845 5.403 ( 10.379 0.531 0.217) 10.395 5.565 ( 3.193 -1.017 0.946) 3.482 5.735 ( 1.041 -0.229 -5.852) 5.948 6.126 ( -1.282 -4.237 0.747) 4.489 6.209 ( -0.285 -8.490 3.192) 9.075 6.574 ( 1.203 0.328 1.446) 1.910 6.791 ( 3.779 -0.547 0.958) 3.937 7.525 ( 2.340 6.950 0.901) 7.389 7.559 ( 1.610 0.618 -0.706) 1.864 7.620 ( -4.149 7.143 -1.024) 8.323 7.892 ( 2.763 4.947 0.586) 5.697 7.956 ( -1.462 -1.127 -3.051) 3.566 8.140 ( 4.979 -1.163 1.185) 5.248 8.263 ( 8.491 -2.722 -2.414) 9.238 8.299 ( 0.469 -1.486 -3.615) 3.937 8.409 ( 2.220 -6.789 -6.172) 9.439 8.558 ( 3.840 1.085 5.435) 6.743 8.583 ( 6.266 5.305 -2.501) 8.582 8.709 ( -0.210 1.642 -0.961) 1.914 8.822 ( -5.458 -3.708 3.867) 7.648 9.029 ( -6.905 1.822 -2.819) 7.677 9.130 ( -1.170 2.193 1.666) 2.992 9.175 ( -0.956 -5.775 -0.324) 5.863 9.268 ( -5.253 -4.002 2.823) 7.182 9.383 ( -5.227 -10.940 1.153) 12.179 9.525 ( 0.613 -6.735 3.952) 7.833 9.600 ( 6.910 2.881 -0.648) 7.515 9.617 ( 4.978 2.276 3.352) 6.419 9.771 ( 5.957 -9.007 3.939) 11.495 9.932 ( -1.571 -1.375 -2.777) 3.474 10.047 ( -3.468 0.585 1.521) 3.832 10.141 ( -5.704 3.660 1.098) 6.866 10.331 ( -0.572 -3.196 -1.533) 3.591 10.652 ( -0.167 6.591 -3.791) 7.605 10.873 ( 7.071 3.372 -2.154) 8.125 11.235 ( -9.933 -1.887 -3.801) 10.801 11.402 ( 1.637 1.553 9.617) 9.879 11.557 ( -7.634 -2.031 1.904) 8.126 11.749 ( -6.635 6.863 2.667) 9.912 11.929 ( -5.430 1.991 -2.927) 6.482 12.035 ( 0.494 12.369 0.141) 12.380 12.145 ( 7.640 1.675 10.641) 13.207 12.471 ( -5.977 1.590 -2.756) 6.771 12.606 ( -0.241 -3.453 -7.494) 8.255 12.750 ( 9.266 -5.565 -3.157) 11.260 12.799 ( -4.961 0.452 -5.461) 7.392 13.327 ( 1.623 9.431 -6.515) 11.576 13.472 ( -1.300 -11.291 3.390) 11.860 13.798 ( -3.282 -0.856 0.432) 3.419 13.935 ( -2.150 -1.699 0.614) 2.808 14.094 ( -3.302 -7.546 -1.300) 8.339 14.344 ( -4.190 1.276 2.626) 5.106 14.382 ( 1.218 8.745 -1.923) 9.036 14.783 ( -2.308 -0.843 1.143) 2.710 14.877 ( 1.076 5.663 -5.359) 7.870 15.106 ( -7.863 -5.973 -11.514) 15.168 15.216 ( 7.549 -7.303 1.139) 10.565 15.428 ( 3.448 -4.825 1.782) 6.193 15.660 ( -2.312 -3.685 1.274) 4.533 17.379 ( 4.065 -0.990 12.686) 13.358 17.470 ( 0.861 -2.642 13.058) 13.350 18.098 ( 2.135 2.669 -4.866) 5.946 18.194 ( 2.028 -1.656 -3.920) 4.714 19.060 ( 3.772 4.351 7.013) 9.074 19.283 ( 3.721 0.394 5.116) 6.339 19.451 ( 5.995 -1.802 -4.932) 7.970 19.735 ( 5.856 -7.414 -1.926) 9.642 21.720 ( 2.124 0.844 0.271) 2.301 21.982 ( 6.722 -4.546 0.461) 8.128 22.406 ( 4.521 9.346 1.053) 10.436 22.535 ( 8.378 7.263 -0.986) 11.132 23.584 ( -13.803 -2.520 1.063) 14.072 23.824 ( -7.088 -7.884 0.276) 10.605 24.348 ( -9.648 5.293 -2.579) 11.303 24.640 ( -8.774 -3.301 -9.371) 13.255 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.264 23.579 16.245) 28.634 1.470 ( -11.809 21.575 15.481) 29.062 2.335 ( -25.150 28.804 7.244) 38.919 2.381 ( 0.094 3.222 -8.161) 8.774 2.425 ( 1.084 6.509 -12.165) 13.839 2.617 ( 0.951 2.635 0.153) 2.806 2.736 ( 1.745 -0.175 1.849) 2.549 2.742 ( 1.076 3.958 0.179) 4.106 2.908 ( -0.289 2.138 -2.112) 3.019 2.955 ( 2.227 -2.481 1.399) 3.616 3.071 ( -2.972 -0.095 3.613) 4.679 3.217 ( 1.841 0.006 -3.047) 3.560 3.244 ( 0.230 -3.633 -0.629) 3.694 3.300 ( 1.585 -4.303 -2.802) 5.373 3.386 ( 2.868 -3.955 -1.386) 5.078 3.420 ( -1.916 -1.388 2.381) 3.357 3.558 ( -4.494 -7.055 0.591) 8.386 3.601 ( 5.091 -3.632 -3.769) 7.302 3.668 ( -0.412 -2.485 -3.867) 4.615 3.801 ( -10.814 -2.451 3.574) 11.650 3.840 ( -5.582 -4.104 -0.603) 6.955 3.965 ( -4.673 -6.198 -4.540) 8.992 4.002 ( 2.459 -4.098 -2.450) 5.371 4.126 ( -3.965 -2.058 2.673) 5.206 4.191 ( -2.977 0.128 2.427) 3.843 4.285 ( -3.225 2.462 -9.327) 10.171 4.574 ( -0.885 -0.389 1.401) 1.702 4.719 ( 6.001 -5.725 1.596) 8.446 4.846 ( 3.110 7.206 6.519) 10.203 4.890 ( 2.601 0.368 3.230) 4.163 5.035 ( -0.043 3.109 0.803) 3.212 5.162 ( 2.089 -2.572 -0.747) 3.396 5.343 ( -0.175 10.058 -1.941) 10.245 5.558 ( 2.687 -2.999 0.149) 4.029 5.587 ( 0.666 -3.708 5.489) 6.657 5.802 ( 5.392 0.709 -2.260) 5.889 6.113 ( -0.121 -4.358 0.307) 4.371 6.216 ( 0.717 -10.331 2.755) 10.716 6.585 ( -0.155 -2.062 2.542) 3.277 6.871 ( 3.864 -3.717 -0.592) 5.395 7.529 ( -2.645 2.858 -2.433) 4.591 7.574 ( 1.127 1.560 -1.288) 2.316 7.662 ( 7.653 6.510 1.250) 10.125 7.921 ( -2.002 -0.188 -2.275) 3.037 7.973 ( 5.973 4.520 3.678) 8.345 8.258 ( 6.533 -2.206 2.365) 7.289 8.318 ( 0.513 0.587 -1.238) 1.464 8.368 ( 0.348 -3.656 -1.777) 4.079 8.443 ( 2.502 -2.735 -6.120) 7.156 8.572 ( -6.671 -0.163 0.086) 6.673 8.581 ( 0.428 -0.660 5.193) 5.252 8.722 ( 2.959 2.531 -3.076) 4.963 8.814 ( 0.103 1.793 1.476) 2.325 8.941 ( -0.028 1.102 -0.085) 1.106 9.042 ( -6.988 1.465 -2.484) 7.560 9.202 ( -0.695 -0.431 4.195) 4.274 9.258 ( 5.931 -6.926 -2.986) 9.595 9.304 ( -1.312 -6.686 0.175) 6.815 9.473 ( -6.094 -2.635 2.901) 7.245 9.694 ( 3.206 -1.166 1.891) 3.901 9.715 ( -0.204 -6.572 -3.164) 7.297 9.833 ( 0.214 8.294 3.443) 8.982 9.917 ( 2.849 1.592 0.550) 3.310 10.012 ( 3.591 -4.236 0.884) 5.623 10.083 ( -1.540 2.361 4.219) 5.074 10.338 ( 0.605 -0.842 -2.150) 2.387 10.646 ( -0.424 9.061 -0.947) 9.120 10.914 ( -6.692 7.714 3.549) 10.811 11.083 ( -1.700 -3.989 -10.238) 11.119 11.335 ( -6.751 6.045 -8.686) 12.553 11.506 ( -2.269 -5.786 18.528) 19.543 11.607 ( -4.142 1.846 5.238) 6.929 11.860 ( -1.574 7.535 -1.556) 7.853 12.006 ( -3.100 12.687 2.365) 13.273 12.241 ( 1.475 1.302 -1.381) 2.403 12.404 ( 0.055 0.105 -2.928) 2.930 12.640 ( 2.006 -2.516 -9.322) 9.862 12.678 ( -5.207 -2.962 -6.596) 8.911 12.898 ( 5.558 0.312 -6.896) 8.863 13.355 ( 2.513 6.931 -0.353) 7.381 13.466 ( -0.143 -10.389 0.762) 10.418 13.753 ( -0.288 -1.429 1.803) 2.319 13.935 ( 2.008 -2.392 -2.051) 3.737 14.039 ( -1.648 -0.005 -3.049) 3.465 14.230 ( -6.682 3.257 -1.942) 7.683 14.422 ( 3.070 5.922 4.698) 8.159 14.636 ( -12.273 -1.257 2.302) 12.550 14.932 ( 1.690 0.070 -0.066) 1.692 15.037 ( 2.951 -1.822 -7.037) 7.846 15.282 ( -2.609 -8.242 -0.006) 8.645 15.500 ( 2.896 -2.889 0.266) 4.099 15.622 ( 0.552 -6.160 1.147) 6.290 17.428 ( 0.370 -0.946 9.623) 9.677 17.530 ( 4.523 -5.677 17.767) 19.193 18.132 ( 1.466 2.159 -4.994) 5.635 18.244 ( 2.843 -3.544 -3.340) 5.639 19.157 ( 5.496 1.577 11.764) 13.080 19.347 ( 2.429 0.846 4.097) 4.837 19.580 ( 6.613 -3.674 -5.233) 9.199 19.834 ( 3.581 -11.345 -0.660) 11.916 21.819 ( 7.748 3.757 0.658) 8.636 22.098 ( 5.048 -3.093 0.978) 6.001 22.476 ( 2.837 9.120 0.109) 9.552 22.674 ( 1.916 8.542 -2.498) 9.104 23.351 ( -5.804 -0.742 -0.260) 5.857 23.700 ( -5.026 -7.882 -1.909) 9.541 24.155 ( -9.499 5.619 -1.451) 11.132 24.384 ( -16.261 0.298 -10.455) 19.334 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -1.508 20.596 17.139) 26.837 1.910 ( -0.413 24.428 9.382) 26.171 2.338 ( -0.271 -11.319 7.374) 13.511 2.545 ( 0.895 9.842 -7.497) 12.404 2.605 ( -1.077 -6.919 2.324) 7.378 2.729 ( 2.656 20.423 -3.737) 20.931 2.754 ( 1.253 5.262 -4.756) 7.202 2.804 ( 3.541 0.496 1.749) 3.981 2.955 ( -1.636 4.202 -1.906) 4.896 2.966 ( -2.754 1.547 0.828) 3.266 3.070 ( 3.099 0.439 -1.046) 3.300 3.146 ( -2.932 -1.171 -1.882) 3.676 3.163 ( -4.095 -0.475 -1.792) 4.495 3.285 ( -1.059 -2.402 -1.562) 3.054 3.365 ( -2.451 -4.901 1.757) 5.755 3.397 ( 2.546 5.514 -4.842) 7.767 3.488 ( -2.244 -4.466 -4.650) 6.826 3.534 ( 6.075 0.577 -3.416) 6.993 3.568 ( -4.769 -5.857 -0.344) 7.561 3.674 ( 1.954 -0.529 -0.522) 2.091 3.749 ( 1.563 -0.580 1.773) 2.434 3.816 ( 1.937 -6.898 -1.383) 7.297 3.894 ( -1.553 -3.649 3.838) 5.519 4.080 ( 1.170 0.155 -0.254) 1.208 4.144 ( 0.003 -0.950 5.721) 5.800 4.333 ( 2.174 1.267 -7.625) 8.030 4.463 ( 0.671 -12.492 3.409) 12.966 4.578 ( -1.780 -7.347 -1.570) 7.720 4.961 ( 0.708 1.962 1.112) 2.364 5.007 ( -1.018 4.329 4.708) 6.476 5.132 ( -1.310 6.307 5.429) 8.424 5.209 ( 4.733 0.983 -6.197) 7.860 5.352 ( -8.211 -2.597 2.001) 8.841 5.445 ( 0.018 -4.122 -2.193) 4.669 5.638 ( 1.844 5.418 1.858) 6.017 5.872 ( 1.736 -2.423 0.731) 3.069 6.051 ( 0.112 -2.277 1.524) 2.742 6.077 ( 0.820 -4.980 0.045) 5.047 6.539 ( -1.243 0.458 1.081) 1.710 6.749 ( -0.930 -9.248 -1.316) 9.388 7.527 ( -1.171 3.103 -2.262) 4.015 7.600 ( 0.866 -0.446 -3.037) 3.189 7.894 ( 2.766 0.452 0.208) 2.811 7.960 ( 2.155 5.247 2.231) 6.096 8.083 ( -0.036 1.776 0.443) 1.831 8.204 ( -3.320 -1.105 -1.617) 3.854 8.270 ( 0.691 -4.019 0.712) 4.140 8.361 ( -4.258 -3.310 -2.019) 5.759 8.464 ( 4.190 1.429 6.721) 8.048 8.539 ( 3.538 -1.236 3.973) 5.461 8.643 ( -3.303 2.707 -2.340) 4.870 8.714 ( 0.650 1.536 -2.719) 3.189 8.812 ( -2.887 2.099 -1.780) 3.989 8.877 ( -0.726 0.842 -1.608) 1.955 9.022 ( 0.836 -1.679 1.644) 2.494 9.155 ( 2.808 -9.339 -3.802) 10.467 9.226 ( 1.370 0.732 -2.200) 2.693 9.302 ( -7.008 -0.005 -1.153) 7.102 9.411 ( 2.654 -2.518 2.915) 4.677 9.472 ( -0.903 -3.329 0.328) 3.464 9.765 ( -0.232 8.931 2.839) 9.375 9.961 ( 2.762 -1.412 7.567) 8.179 10.002 ( 1.707 -0.227 7.099) 7.305 10.037 ( -2.497 -1.402 3.834) 4.785 10.220 ( 1.838 6.694 -2.915) 7.529 10.412 ( 8.290 0.331 -5.278) 9.833 10.754 ( -7.364 3.570 -4.295) 9.242 10.794 ( -4.590 3.053 -2.070) 5.889 11.114 ( -1.856 0.005 2.417) 3.047 11.198 ( -5.343 -0.920 -5.276) 7.565 11.470 ( 2.268 3.838 3.505) 5.671 11.623 ( 6.169 -2.313 7.665) 10.108 12.015 ( 1.253 9.541 3.824) 10.355 12.138 ( -4.076 7.016 -4.317) 9.191 12.355 ( 1.267 6.131 -4.834) 7.910 12.472 ( 0.543 3.816 -7.360) 8.308 12.492 ( -5.786 -5.068 -6.293) 9.938 12.547 ( 5.052 -6.600 -6.832) 10.759 13.036 ( 3.453 0.183 0.408) 3.482 13.218 ( -2.077 -11.188 6.784) 13.248 13.571 ( 1.308 8.269 -0.705) 8.402 13.746 ( -0.370 0.519 -0.894) 1.098 13.908 ( 1.997 -6.225 -0.100) 6.539 14.036 ( 6.872 -6.973 -4.290) 10.689 14.290 ( -3.104 10.854 -1.498) 11.388 14.393 ( -8.146 2.321 -0.332) 8.476 14.644 ( 4.516 8.876 4.324) 10.857 14.846 ( -2.232 -3.204 7.082) 8.087 15.008 ( 1.783 -10.312 -1.663) 10.597 15.031 ( -1.445 -7.858 -1.080) 8.063 15.523 ( 0.160 0.001 -3.224) 3.228 15.560 ( 0.151 -2.588 -0.789) 2.710 17.424 ( -0.594 0.491 9.050) 9.083 17.485 ( 0.193 -3.525 13.596) 14.047 18.159 ( 0.209 0.014 -5.344) 5.348 18.216 ( 0.766 -2.927 -3.421) 4.567 19.275 ( 0.401 4.443 5.995) 7.473 19.375 ( -1.052 0.094 2.792) 2.986 19.578 ( 1.208 -4.479 -2.080) 5.084 19.647 ( -0.875 -8.146 -2.755) 8.644 22.003 ( 0.739 3.338 2.385) 4.169 22.107 ( -1.195 -1.974 0.706) 2.413 22.655 ( -2.778 5.620 -1.030) 6.353 22.706 ( 3.260 2.574 -1.522) 4.424 23.378 ( -0.475 1.230 0.510) 1.414 23.538 ( 2.160 -6.678 -3.336) 7.771 24.140 ( -0.972 6.264 -0.938) 6.408 24.246 ( -0.782 1.473 -4.608) 4.901 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.042 20.275 11.798) 23.803 1.907 ( 2.608 23.687 10.670) 26.110 2.329 ( -0.927 -9.960 5.446) 11.390 2.517 ( -1.956 4.395 -1.656) 5.088 2.641 ( 2.599 -3.182 -2.848) 4.999 2.759 ( -2.123 4.496 -3.498) 6.079 2.802 ( -0.542 3.546 -4.410) 5.685 2.889 ( -3.651 1.140 -7.061) 8.030 2.895 ( 1.986 6.923 1.384) 7.334 2.955 ( 3.156 2.428 2.545) 4.726 3.064 ( -1.195 -1.919 4.412) 4.957 3.111 ( 1.788 -0.276 3.772) 4.184 3.156 ( 4.818 0.755 -7.882) 9.269 3.277 ( -2.593 -3.314 -3.690) 5.596 3.332 ( 1.036 -3.131 -1.714) 3.717 3.429 ( -0.314 3.445 -3.832) 5.162 3.481 ( 2.745 8.646 2.546) 9.422 3.539 ( 0.756 -9.947 -5.280) 11.286 3.597 ( 1.411 -3.478 -0.976) 3.878 3.763 ( 3.003 -0.401 -3.073) 4.315 3.780 ( -1.805 2.340 5.475) 6.222 3.817 ( 7.918 0.752 3.081) 8.529 3.983 ( 8.426 -6.352 -1.508) 10.660 4.098 ( 1.106 2.005 2.428) 3.337 4.207 ( 5.636 -2.905 -0.133) 6.342 4.420 ( 5.993 -6.198 -0.619) 8.644 4.515 ( 2.524 -9.043 2.945) 9.840 4.560 ( 1.093 -1.490 -4.931) 5.266 4.932 ( -4.518 1.666 -1.403) 5.015 4.964 ( -2.540 4.544 7.352) 9.009 5.047 ( -4.655 0.367 5.740) 7.399 5.177 ( -8.628 -3.999 0.853) 9.548 5.281 ( 0.957 4.145 -5.409) 6.882 5.460 ( -0.333 -2.337 0.457) 2.404 5.632 ( -2.227 6.784 -0.172) 7.142 5.862 ( -2.317 -2.782 0.869) 3.724 6.060 ( 1.092 -2.064 1.682) 2.878 6.106 ( 2.015 -4.531 0.880) 5.036 6.525 ( -0.269 0.586 0.181) 0.669 6.714 ( -2.397 -7.874 -1.304) 8.333 7.536 ( 1.765 5.052 -1.539) 5.568 7.646 ( 3.765 -0.861 -2.405) 4.549 7.876 ( -2.537 3.795 -2.287) 5.106 7.953 ( -3.579 1.142 4.062) 5.533 8.052 ( -3.260 -2.281 0.522) 4.013 8.117 ( -2.777 5.359 -2.520) 6.541 8.243 ( -4.832 -4.135 -1.723) 6.589 8.396 ( 5.728 -3.251 -0.080) 6.587 8.494 ( -3.770 -0.621 1.693) 4.179 8.520 ( -6.117 -1.174 -0.582) 6.255 8.606 ( -0.450 0.442 1.160) 1.320 8.688 ( 4.103 1.931 2.145) 5.017 8.829 ( 2.612 -1.495 -2.934) 4.203 8.891 ( -2.204 1.160 0.488) 2.538 9.012 ( -0.755 3.069 -1.718) 3.597 9.157 ( -1.360 -10.333 1.031) 10.473 9.229 ( 0.336 -3.644 -0.459) 3.688 9.266 ( 2.434 -2.636 -1.552) 3.909 9.360 ( -3.163 0.926 3.302) 4.666 9.562 ( 6.028 -1.058 2.221) 6.511 9.809 ( 2.970 9.697 -0.834) 10.176 9.897 ( -8.543 4.053 4.129) 10.318 9.980 ( -2.839 2.950 5.789) 7.090 10.042 ( 2.371 -1.215 2.694) 3.789 10.203 ( -1.363 -3.730 5.947) 7.151 10.416 ( -9.733 -8.152 -8.562) 15.313 10.656 ( 1.132 6.502 -4.839) 8.183 10.759 ( -2.108 2.694 -7.138) 7.915 11.115 ( 3.951 1.190 5.043) 6.516 11.178 ( 1.967 0.867 -3.855) 4.414 11.514 ( 1.483 6.176 6.274) 8.928 11.809 ( 11.461 -2.373 6.105) 13.200 12.022 ( -1.847 5.724 1.211) 6.135 12.096 ( -0.685 1.804 -0.834) 2.102 12.387 ( 2.670 7.501 -4.701) 9.246 12.408 ( 0.524 2.244 -6.424) 6.825 12.524 ( 3.584 2.334 -8.353) 9.385 12.685 ( 7.425 -2.305 -6.572) 10.180 13.021 ( -5.222 -3.999 5.075) 8.308 13.129 ( -5.551 -10.951 6.812) 14.041 13.572 ( -0.697 5.229 -0.871) 5.347 13.722 ( -1.181 0.089 -0.494) 1.283 13.888 ( -2.480 -4.191 0.225) 4.875 14.074 ( -2.994 -6.793 -4.484) 8.672 14.308 ( 3.249 8.136 2.742) 9.179 14.448 ( 10.909 2.535 -2.035) 11.384 14.702 ( 2.181 8.288 0.975) 8.625 14.888 ( 5.234 -3.909 0.695) 6.569 14.967 ( -0.973 -4.563 -1.318) 4.848 15.080 ( 1.174 -8.763 -3.217) 9.408 15.473 ( -4.966 -0.700 -1.545) 5.248 15.536 ( -1.471 -3.987 1.041) 4.376 17.401 ( -1.963 0.723 9.468) 9.696 17.468 ( -2.034 -3.244 12.857) 13.415 18.154 ( -0.670 0.281 -4.990) 5.043 18.215 ( -0.417 -1.921 -3.602) 4.104 19.252 ( -2.744 2.944 6.256) 7.439 19.315 ( -4.738 0.133 2.147) 5.204 19.546 ( -3.823 -4.310 -1.602) 5.979 19.621 ( -1.789 -5.804 -3.149) 6.841 21.908 ( -8.327 3.866 1.341) 9.278 22.024 ( -5.966 -2.310 0.625) 6.428 22.616 ( -1.641 7.080 -0.374) 7.278 22.773 ( -2.476 0.001 -0.589) 2.545 23.387 ( 6.185 2.533 0.135) 6.685 23.589 ( 3.710 -7.351 -0.634) 8.259 24.246 ( 9.640 4.974 -1.991) 11.029 24.345 ( 9.866 0.388 -5.614) 11.358 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 9.259 17.661 3.428) 20.233 2.056 ( 11.555 17.031 12.352) 24.003 2.314 ( -0.384 -6.287 0.876) 6.360 2.498 ( -1.099 0.104 3.357) 3.534 2.561 ( -13.684 2.529 -6.205) 15.236 2.651 ( -2.235 5.970 -6.238) 8.919 2.789 ( -2.235 -4.281 -1.947) 5.206 2.832 ( -0.569 4.715 2.177) 5.224 2.855 ( -2.025 -1.738 -3.512) 4.411 3.045 ( -0.569 -4.654 2.429) 5.281 3.098 ( 5.675 -1.094 1.339) 5.932 3.156 ( 1.562 -7.951 3.239) 8.726 3.215 ( -1.580 -0.389 -4.764) 5.035 3.305 ( 6.465 4.868 -4.389) 9.207 3.363 ( 1.176 -0.665 -3.035) 3.322 3.419 ( -1.197 -0.086 0.525) 1.310 3.502 ( -1.211 1.508 1.623) 2.525 3.559 ( 2.706 -5.280 -5.218) 7.901 3.650 ( 4.721 -4.025 -3.909) 7.333 3.806 ( 2.812 -4.102 -2.004) 5.362 3.836 ( 6.207 12.042 2.574) 13.790 4.017 ( 10.579 0.605 2.717) 10.939 4.101 ( 3.436 8.242 1.535) 9.060 4.182 ( 7.666 -6.846 3.266) 10.785 4.345 ( 7.805 -2.842 2.777) 8.758 4.456 ( -3.780 -10.221 2.261) 11.129 4.565 ( 4.006 0.976 -3.726) 5.557 4.618 ( 3.188 0.216 -3.749) 4.926 4.822 ( -4.605 4.309 -0.023) 6.307 4.927 ( -1.107 1.044 4.958) 5.186 4.991 ( -4.048 -0.749 9.340) 10.207 5.060 ( -0.397 -4.710 1.730) 5.034 5.250 ( -4.055 3.876 -3.247) 6.481 5.370 ( -8.903 -2.425 -0.858) 9.267 5.585 ( -1.959 8.209 -1.940) 8.660 5.802 ( -3.706 -3.235 -0.661) 4.964 6.096 ( 2.307 -1.505 2.579) 3.774 6.147 ( 1.870 -3.384 1.818) 4.273 6.526 ( 0.359 1.092 -0.985) 1.514 6.674 ( -1.238 -5.594 -1.577) 5.943 7.577 ( 2.398 7.854 -0.024) 8.212 7.725 ( 3.377 1.339 0.188) 3.638 7.857 ( -1.433 3.460 -2.599) 4.559 7.876 ( -0.977 -0.072 -3.381) 3.520 7.960 ( -5.277 -2.969 -1.101) 6.154 8.077 ( -2.931 -3.162 -0.621) 4.356 8.146 ( -3.794 7.349 -1.700) 8.444 8.344 ( -6.384 1.531 -2.498) 7.024 8.390 ( -5.746 0.783 -0.792) 5.853 8.481 ( -2.756 -4.261 -6.246) 8.048 8.628 ( 3.616 -5.946 4.333) 8.198 8.711 ( -10.046 -0.645 -3.816) 10.766 8.814 ( 5.377 -1.907 2.704) 6.313 8.922 ( 5.815 -4.624 4.978) 8.943 9.073 ( 5.241 -1.785 0.975) 5.621 9.153 ( 0.873 -4.964 5.398) 7.385 9.234 ( 0.638 -1.166 -1.775) 2.218 9.289 ( -2.613 2.399 6.375) 7.295 9.350 ( 3.219 -4.862 -0.718) 5.875 9.665 ( -0.132 -3.977 3.422) 5.248 9.742 ( -2.658 10.581 4.273) 11.717 9.794 ( -5.019 8.306 0.697) 9.730 9.869 ( -8.570 0.792 2.645) 9.003 10.110 ( 0.826 -2.268 0.582) 2.482 10.190 ( 3.001 -4.883 3.092) 6.512 10.297 ( -0.265 -8.868 -6.546) 11.026 10.644 ( -1.831 3.095 -6.476) 7.408 10.718 ( -1.328 -0.111 -14.493) 14.554 11.222 ( 4.706 4.320 3.691) 7.378 11.268 ( 8.023 -1.458 5.068) 9.601 11.531 ( 0.512 6.541 6.942) 9.552 11.902 ( -8.090 -4.861 -0.931) 9.484 12.025 ( 9.042 1.851 2.554) 9.577 12.111 ( 0.701 1.594 4.930) 5.229 12.436 ( -0.643 9.766 -3.067) 10.256 12.463 ( 4.372 10.630 -1.682) 11.616 12.606 ( 4.596 0.936 -8.242) 9.483 12.760 ( -0.810 -0.427 -0.330) 0.973 12.883 ( -5.921 -4.789 2.830) 8.124 13.087 ( 1.422 -13.593 2.598) 13.912 13.568 ( -0.435 4.551 -2.565) 5.242 13.703 ( 0.002 -6.555 3.714) 7.534 13.894 ( 4.287 1.832 0.744) 4.721 14.047 ( 1.766 -2.174 -5.164) 5.875 14.378 ( 4.020 3.148 3.861) 6.402 14.554 ( -1.315 0.886 -1.063) 1.909 14.743 ( -0.615 1.752 -0.355) 1.890 14.877 ( -9.183 -0.359 -9.299) 13.073 15.023 ( 7.871 -1.917 -8.584) 11.804 15.129 ( 5.539 -6.280 -1.214) 8.461 15.378 ( -3.554 0.170 2.652) 4.438 15.530 ( 0.682 -6.243 1.822) 6.539 17.360 ( -2.279 1.040 10.770) 11.057 17.430 ( -1.886 -2.850 11.927) 12.406 18.133 ( -1.090 1.696 -4.669) 5.085 18.205 ( -0.580 -0.621 -4.336) 4.419 19.184 ( -4.115 2.800 4.191) 6.507 19.226 ( -3.703 -0.658 3.677) 5.260 19.462 ( -4.329 -1.408 -1.812) 4.899 19.574 ( -2.747 -4.949 -3.076) 6.442 21.768 ( -5.195 3.183 0.565) 6.119 21.899 ( -6.620 -3.561 0.520) 7.535 22.545 ( -5.451 5.744 0.500) 7.935 22.623 ( -9.490 2.478 -0.544) 9.823 23.597 ( 12.014 -0.549 1.804) 12.161 23.703 ( 7.256 -5.780 0.810) 9.312 24.436 ( 9.236 4.190 -2.821) 10.527 24.547 ( 9.422 -1.707 -6.288) 11.455 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 12.460 10.397 -1.344) 16.284 2.224 ( -9.599 5.893 -2.065) 11.452 2.314 ( 6.745 11.287 4.855) 14.017 2.371 ( 2.933 -2.790 -3.466) 5.329 2.440 ( -3.503 -2.064 2.766) 4.917 2.612 ( -5.484 6.905 3.905) 9.644 2.725 ( -0.200 4.599 -1.906) 4.983 2.813 ( -2.359 -2.334 -1.860) 3.804 2.861 ( 2.347 -2.427 4.404) 5.549 3.011 ( -2.168 -3.557 4.014) 5.785 3.151 ( -1.023 -4.598 -3.016) 5.593 3.173 ( -0.262 0.583 -4.078) 4.128 3.218 ( 2.493 -5.613 0.670) 6.178 3.348 ( -2.204 -2.961 2.468) 4.440 3.366 ( -0.691 -0.723 -2.866) 3.036 3.406 ( 0.754 0.191 -2.036) 2.180 3.497 ( 2.003 -0.504 -4.053) 4.549 3.642 ( 4.714 -7.712 -5.329) 10.493 3.750 ( 4.760 -3.985 -7.536) 9.764 3.817 ( -2.118 -1.409 -3.301) 4.168 3.973 ( 7.433 6.599 3.416) 10.511 4.141 ( 2.131 5.379 -0.190) 5.788 4.184 ( 1.914 -1.614 4.109) 4.812 4.275 ( 0.322 -2.325 4.194) 4.806 4.337 ( -6.569 2.160 3.140) 7.594 4.479 ( 3.187 -2.349 8.141) 9.052 4.653 ( 3.523 0.191 -1.922) 4.018 4.660 ( 3.940 0.695 -0.497) 4.032 4.767 ( -0.755 2.397 -0.304) 2.532 4.900 ( -0.567 -2.001 -0.795) 2.227 5.015 ( 4.860 1.318 8.210) 9.631 5.090 ( 0.397 0.409 6.790) 6.814 5.122 ( -4.933 4.051 -1.747) 6.618 5.200 ( -7.183 -0.657 -2.642) 7.681 5.562 ( -0.200 4.355 -3.448) 5.558 5.726 ( -3.654 -3.891 -3.120) 6.183 6.130 ( 0.561 -1.147 3.517) 3.741 6.165 ( -0.290 -2.381 1.996) 3.121 6.543 ( 1.621 2.078 -1.629) 3.099 6.672 ( 0.926 -3.860 -1.426) 4.218 7.623 ( 1.449 8.956 0.250) 9.076 7.726 ( -3.656 1.685 2.102) 4.541 7.837 ( 1.535 2.546 -5.839) 6.553 7.866 ( -2.703 -3.589 -3.040) 5.425 7.891 ( 0.044 3.445 -3.511) 4.919 8.032 ( -0.713 -4.286 -3.966) 5.883 8.112 ( -0.400 3.828 0.359) 3.866 8.271 ( -0.414 -2.081 -1.705) 2.722 8.349 ( 2.486 2.812 -1.731) 4.133 8.402 ( -5.233 1.670 -4.686) 7.220 8.490 ( -7.291 -0.798 -2.590) 7.778 8.697 ( -0.111 -8.559 -0.584) 8.579 8.926 ( 5.170 -2.093 2.600) 6.154 9.003 ( 1.424 -4.659 6.036) 7.757 9.149 ( 2.512 -6.543 6.476) 9.542 9.211 ( -2.258 -0.812 7.286) 7.671 9.257 ( 6.270 -3.940 -0.296) 7.411 9.258 ( 1.565 2.401 0.875) 2.996 9.390 ( 0.405 -5.823 0.455) 5.854 9.546 ( -6.748 -2.233 6.556) 9.670 9.635 ( -8.338 6.528 1.303) 10.670 9.697 ( -4.930 5.219 2.590) 7.632 9.859 ( 4.871 -0.027 4.476) 6.615 10.058 ( -3.745 -5.963 2.461) 7.459 10.286 ( 3.601 -0.192 -4.084) 5.448 10.335 ( 2.129 -4.138 -5.120) 6.918 10.634 ( 1.827 2.168 -8.964) 9.401 10.708 ( 0.915 -1.198 -16.836) 16.904 11.300 ( 3.280 4.144 6.426) 8.320 11.442 ( 8.235 -5.324 7.508) 12.351 11.556 ( 2.237 6.233 4.998) 8.297 11.741 ( -7.040 -2.864 1.785) 7.807 12.092 ( -2.657 2.386 3.276) 4.846 12.167 ( 4.711 -2.992 2.826) 6.255 12.347 ( -7.132 8.844 7.568) 13.651 12.464 ( -3.898 6.432 1.210) 7.617 12.672 ( 2.319 0.550 -5.013) 5.551 12.754 ( 1.031 3.902 -3.795) 5.540 12.843 ( 0.510 -0.533 -2.391) 2.502 13.113 ( 0.569 -16.394 -5.661) 17.353 13.560 ( 0.334 7.060 1.776) 7.288 13.739 ( 2.644 -1.982 7.072) 7.806 14.017 ( 5.571 1.400 0.049) 5.744 14.148 ( 8.485 0.842 -4.886) 9.827 14.379 ( -8.217 0.316 0.373) 8.232 14.550 ( 6.532 -0.022 -2.362) 6.946 14.639 ( -11.551 0.099 -7.869) 13.977 14.692 ( -3.338 -8.561 -3.388) 9.793 15.127 ( 2.922 -0.341 -5.727) 6.439 15.196 ( -2.732 -5.009 -2.059) 6.066 15.384 ( 4.400 3.310 1.530) 5.715 15.551 ( 1.374 -5.809 -0.434) 5.985 17.330 ( -0.918 1.492 12.091) 12.217 17.408 ( -0.618 -2.802 11.741) 12.086 18.117 ( -0.457 2.789 -4.768) 5.543 18.189 ( -0.858 -0.057 -4.884) 4.959 19.118 ( -2.259 3.416 2.449) 4.772 19.188 ( -0.349 -0.861 5.173) 5.256 19.393 ( -2.435 0.596 -2.367) 3.448 19.531 ( -1.102 -4.869 -2.888) 5.767 21.722 ( 0.311 0.483 0.426) 0.715 21.784 ( -4.794 -2.690 0.272) 5.503 22.451 ( -2.999 4.552 0.567) 5.481 22.488 ( -3.758 2.588 -0.230) 4.569 23.765 ( 4.291 -1.537 2.515) 5.206 23.818 ( 3.534 -4.652 1.541) 6.042 24.571 ( 4.056 3.567 -3.541) 6.459 24.674 ( 3.724 -1.912 -5.762) 7.123 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -11.936 13.152 -0.765) 17.778 2.243 ( -1.404 4.888 1.100) 5.204 2.379 ( 3.344 -1.539 -3.163) 4.853 2.405 ( 0.956 1.772 -0.048) 2.014 2.451 ( -1.891 7.448 -0.632) 7.710 2.596 ( 10.209 4.226 6.050) 12.597 2.727 ( -1.235 0.879 3.333) 3.661 2.813 ( 2.622 2.740 -2.443) 4.512 2.909 ( 0.785 -4.620 4.138) 6.251 2.994 ( 2.191 -1.430 5.014) 5.655 3.111 ( -5.063 -8.418 0.696) 9.847 3.145 ( 0.575 2.986 -8.566) 9.090 3.258 ( 0.650 1.879 -4.501) 4.920 3.296 ( -1.651 -4.731 3.011) 5.846 3.350 ( -0.605 -5.861 -0.289) 5.899 3.416 ( 0.520 1.335 -5.648) 5.827 3.549 ( 1.870 -0.902 -1.575) 2.606 3.681 ( -1.372 -7.111 -3.200) 7.918 3.745 ( -4.955 -0.999 -5.110) 7.188 3.819 ( 2.783 -5.248 -7.108) 9.263 4.027 ( -7.557 1.975 0.274) 7.815 4.099 ( -5.667 3.500 4.520) 8.050 4.162 ( -2.547 1.197 2.980) 4.099 4.217 ( -0.011 3.001 2.383) 3.832 4.327 ( -0.390 -1.404 2.858) 3.208 4.380 ( -4.913 -4.827 4.884) 8.443 4.640 ( -5.680 2.182 0.627) 6.117 4.689 ( -4.312 1.934 1.550) 4.973 4.827 ( 5.378 1.397 1.191) 5.683 4.931 ( 1.613 1.777 1.565) 2.865 4.995 ( -1.636 0.822 2.093) 2.781 5.083 ( -1.437 1.927 1.616) 2.896 5.168 ( 8.047 1.712 5.017) 9.636 5.250 ( 10.778 0.057 -0.778) 10.806 5.555 ( -0.798 1.853 -2.726) 3.391 5.688 ( 0.049 -3.934 -4.210) 5.762 6.112 ( -2.176 -1.134 2.561) 3.547 6.139 ( -2.136 -2.559 1.378) 3.607 6.579 ( 1.608 2.420 -0.942) 3.055 6.700 ( 1.698 -3.260 -0.412) 3.699 7.621 ( -0.350 6.116 -0.326) 6.134 7.628 ( -4.606 2.433 -0.550) 5.238 7.841 ( -1.773 4.687 -0.992) 5.108 7.880 ( 2.649 0.231 -2.479) 3.635 7.943 ( 4.049 0.864 -7.830) 8.858 8.043 ( 1.785 -4.036 -2.606) 5.125 8.147 ( 4.460 2.632 2.555) 5.775 8.248 ( -1.109 -3.327 -4.954) 6.070 8.284 ( -3.796 1.668 -5.926) 7.233 8.451 ( 6.612 -1.206 0.314) 6.729 8.535 ( 8.590 2.054 1.413) 8.945 8.648 ( -2.527 -2.400 -4.219) 5.472 8.927 ( -6.638 -2.449 3.514) 7.900 9.032 ( 2.842 -5.862 6.380) 9.118 9.130 ( -3.810 -3.877 7.298) 9.100 9.157 ( -3.461 -2.699 2.251) 4.933 9.267 ( -3.857 -4.320 -0.257) 5.797 9.374 ( 1.865 0.302 3.374) 3.867 9.404 ( 3.446 -9.540 6.676) 12.143 9.484 ( 1.515 -0.711 -1.636) 2.340 9.536 ( -1.272 5.224 1.210) 5.511 9.670 ( 3.275 5.194 3.599) 7.117 9.917 ( 0.585 -0.687 3.101) 3.230 10.013 ( -0.448 -6.931 2.822) 7.497 10.306 ( -0.964 -0.327 -5.471) 5.565 10.318 ( -4.021 0.735 -2.204) 4.644 10.715 ( 5.622 2.704 -10.162) 11.924 10.747 ( 4.060 0.869 -14.486) 15.069 11.339 ( -0.228 2.085 12.275) 12.453 11.502 ( -5.936 -3.714 4.329) 8.233 11.539 ( 0.146 2.547 2.355) 3.472 11.772 ( 7.803 -5.537 -0.442) 9.578 11.998 ( -5.942 3.533 6.449) 9.454 12.189 ( -1.405 -1.679 8.429) 8.708 12.254 ( -2.072 11.172 2.620) 11.661 12.445 ( 2.720 -1.429 -1.064) 3.251 12.672 ( -3.313 2.263 -2.609) 4.786 12.705 ( -2.824 5.897 -4.751) 8.082 12.872 ( -0.368 0.537 -6.906) 6.936 13.151 ( 3.977 -15.993 -2.826) 16.720 13.543 ( -2.530 8.676 2.999) 9.522 13.794 ( 2.256 -0.954 8.237) 8.594 13.992 ( -7.914 0.927 -1.465) 8.102 14.177 ( -9.958 -1.612 -2.795) 10.468 14.350 ( 9.908 3.367 -1.757) 10.611 14.469 ( -3.855 0.950 -7.130) 8.161 14.686 ( 4.169 -3.166 -2.756) 5.916 14.763 ( 11.952 -8.602 -3.070) 15.042 15.065 ( -7.257 0.985 -3.358) 8.057 15.150 ( -2.389 -5.195 -5.561) 7.977 15.420 ( -1.122 2.971 1.820) 3.661 15.584 ( 1.167 -5.252 -0.396) 5.394 17.333 ( 0.930 1.358 12.438) 12.547 17.409 ( 0.301 -2.632 11.771) 12.065 18.114 ( 0.343 2.405 -4.759) 5.344 18.175 ( -0.433 -0.356 -5.463) 5.492 19.107 ( 1.067 4.586 3.094) 5.634 19.212 ( 2.598 -0.896 5.043) 5.743 19.377 ( 1.009 1.143 -2.976) 3.344 19.539 ( 1.968 -5.836 -2.682) 6.718 21.721 ( -0.478 0.485 0.400) 0.790 21.784 ( 4.856 -2.768 0.273) 5.597 22.454 ( 3.195 4.677 0.609) 5.697 22.491 ( 4.118 2.567 -0.149) 4.855 23.749 ( -5.869 -1.112 2.031) 6.309 23.816 ( -3.918 -4.909 1.525) 6.464 24.572 ( -3.779 3.794 -3.514) 6.405 24.688 ( -2.161 -2.421 -5.345) 6.253 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -5.143 19.731 5.225) 21.049 2.074 ( -12.072 15.906 11.107) 22.849 2.320 ( -0.279 -4.726 -0.075) 4.735 2.484 ( 1.795 -0.126 0.613) 1.901 2.574 ( 6.008 2.870 -8.722) 10.973 2.696 ( 4.145 2.218 -1.642) 4.980 2.791 ( 2.786 -3.871 1.687) 5.059 2.823 ( -1.360 -1.242 -2.273) 2.926 2.910 ( 0.604 5.692 2.829) 6.385 3.001 ( -4.231 -3.721 1.574) 5.850 3.074 ( 3.745 -3.485 2.073) 5.520 3.194 ( 4.004 2.773 -3.576) 6.042 3.248 ( -0.414 4.289 -5.052) 6.640 3.288 ( 0.131 -1.627 0.825) 1.829 3.351 ( 0.450 -7.325 1.151) 7.429 3.430 ( 0.014 1.484 -6.100) 6.277 3.527 ( -5.062 -0.041 -0.111) 5.064 3.554 ( -10.777 7.399 -1.007) 13.111 3.656 ( -1.511 -5.732 -3.861) 7.075 3.836 ( -3.488 -4.889 -5.011) 7.822 3.875 ( -1.190 -3.079 -1.197) 3.511 3.945 ( -9.613 -0.327 4.067) 10.443 4.057 ( -14.193 -2.706 4.649) 15.178 4.100 ( -2.494 -4.851 1.108) 5.566 4.309 ( -0.579 2.152 3.554) 4.195 4.453 ( 0.045 -4.817 4.535) 6.616 4.489 ( -4.837 5.736 -5.758) 9.457 4.648 ( 0.547 0.773 -1.834) 2.064 4.831 ( -1.836 0.631 2.189) 2.926 4.947 ( 3.027 6.045 5.479) 8.702 5.006 ( -0.006 -5.568 -2.601) 6.146 5.110 ( 3.186 1.950 6.961) 7.900 5.363 ( 9.627 0.200 2.190) 9.875 5.445 ( 7.629 0.902 -1.756) 7.881 5.543 ( -0.458 1.649 0.126) 1.716 5.706 ( 2.161 -2.804 -2.912) 4.584 6.070 ( -1.760 -1.630 1.007) 2.601 6.097 ( -1.862 -3.556 0.687) 4.072 6.590 ( -0.465 1.668 0.239) 1.748 6.729 ( 1.308 -4.823 -0.089) 4.998 7.582 ( -0.600 3.188 -0.700) 3.319 7.643 ( 2.364 3.140 1.198) 4.109 7.771 ( -4.708 8.041 -3.784) 10.057 7.932 ( 0.622 -1.101 -1.302) 1.815 7.964 ( 1.353 2.179 -3.769) 4.559 8.091 ( 3.689 -3.881 -1.618) 5.593 8.244 ( 2.828 -3.338 -4.980) 6.629 8.265 ( 5.760 -0.883 2.042) 6.175 8.352 ( 7.621 5.014 -6.402) 11.145 8.550 ( 1.598 -1.435 1.664) 2.717 8.634 ( 3.460 -1.868 3.719) 5.412 8.726 ( 6.955 -1.274 -4.217) 8.233 8.766 ( -7.670 0.022 4.195) 8.742 9.048 ( -5.731 -1.240 0.367) 5.875 9.067 ( -1.255 -7.824 4.773) 9.250 9.091 ( 0.275 -3.393 3.165) 4.649 9.162 ( -3.305 -0.250 0.185) 3.319 9.312 ( -4.820 0.066 -0.007) 4.821 9.489 ( 1.818 -1.976 8.001) 8.440 9.558 ( 1.697 -7.599 1.263) 7.888 9.588 ( 8.355 2.744 -1.100) 8.862 9.780 ( 6.024 7.323 2.278) 9.752 9.923 ( 0.878 -0.480 -2.164) 2.384 10.027 ( 1.680 -6.485 5.494) 8.663 10.181 ( -7.975 1.479 0.323) 8.118 10.295 ( -0.317 0.847 -4.632) 4.720 10.771 ( 1.845 5.684 -8.014) 9.996 10.891 ( 8.815 -0.881 -10.780) 13.953 11.232 ( -10.685 2.351 7.299) 13.152 11.423 ( -1.362 -2.870 15.359) 15.685 11.524 ( -2.414 2.601 -2.761) 4.495 11.773 ( -7.570 -5.594 -5.459) 10.881 11.983 ( 2.174 5.746 4.079) 7.374 12.177 ( 0.697 0.203 8.644) 8.674 12.271 ( 3.403 10.960 -1.417) 11.563 12.486 ( -0.569 -1.972 -4.698) 5.127 12.585 ( -3.684 2.378 -6.906) 8.181 12.731 ( 6.335 5.432 3.449) 9.030 12.795 ( -6.767 -1.952 -8.199) 10.808 13.208 ( 0.255 -15.879 5.450) 16.790 13.512 ( 0.652 9.258 -0.883) 9.322 13.810 ( -0.968 -7.977 5.156) 9.548 13.821 ( -6.737 3.094 -2.237) 7.743 14.018 ( -5.810 -3.462 -4.426) 8.083 14.403 ( 0.438 5.440 3.413) 6.437 14.542 ( 4.053 6.368 -2.856) 8.070 14.751 ( 1.483 -1.573 0.034) 2.162 14.936 ( -0.441 -0.532 -7.066) 7.100 14.983 ( -2.282 -4.066 -8.187) 9.421 15.064 ( 0.904 -8.754 -3.198) 9.363 15.404 ( 0.719 1.785 3.130) 3.674 15.568 ( -2.410 -5.608 1.749) 6.349 17.372 ( 2.633 0.320 11.643) 11.941 17.424 ( 0.922 -2.184 11.822) 12.057 18.131 ( 1.544 1.085 -4.578) 4.952 18.169 ( 0.046 -1.063 -5.630) 5.730 19.157 ( 3.735 5.507 4.289) 7.917 19.281 ( 4.022 -0.801 4.598) 6.161 19.428 ( 4.023 -0.083 -3.121) 5.092 19.592 ( 3.133 -7.446 -2.577) 8.480 21.763 ( 4.964 3.317 0.464) 5.988 21.904 ( 7.073 -3.897 0.629) 8.100 22.551 ( 5.676 6.086 0.624) 8.345 22.630 ( 9.383 2.560 -0.393) 9.734 23.562 ( -12.415 0.287 0.846) 12.447 23.689 ( -8.129 -6.209 0.508) 10.242 24.442 ( -8.911 4.659 -2.719) 10.416 24.582 ( -8.587 -3.020 -5.312) 10.539 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -3.332 20.331 13.985) 24.901 1.906 ( -3.050 23.616 10.534) 26.038 2.336 ( 0.718 -8.544 4.290) 9.587 2.507 ( 2.016 0.457 -1.227) 2.404 2.649 ( 0.977 1.099 -6.536) 6.700 2.728 ( -3.678 3.565 -4.793) 7.015 2.756 ( -0.595 1.584 -2.964) 3.413 2.786 ( -1.260 2.493 -0.700) 2.880 2.950 ( 2.006 3.064 0.936) 3.780 2.999 ( 2.868 3.132 1.969) 4.681 3.093 ( -6.156 6.791 -0.545) 9.182 3.165 ( -2.926 1.775 3.858) 5.157 3.222 ( -2.203 0.741 -3.349) 4.076 3.313 ( 0.065 1.338 -1.900) 2.324 3.367 ( 0.589 -2.552 -0.091) 2.621 3.385 ( 5.047 4.314 -3.739) 7.620 3.447 ( -3.659 -3.680 -3.104) 6.047 3.506 ( 1.376 -5.568 -4.611) 7.359 3.634 ( -1.085 -2.027 -2.017) 3.058 3.743 ( -7.304 -5.339 3.897) 9.851 3.785 ( -5.394 -0.216 0.540) 5.425 3.824 ( -5.562 -5.940 -4.298) 9.203 3.902 ( 0.902 -5.471 3.573) 6.597 4.068 ( -0.662 -4.783 0.474) 4.851 4.220 ( -6.517 2.026 7.156) 9.888 4.350 ( -3.635 3.296 -10.557) 11.642 4.486 ( -1.713 -7.224 4.879) 8.884 4.622 ( -2.648 -5.788 0.310) 6.373 4.896 ( 5.692 2.685 -3.109) 7.020 4.998 ( 1.774 6.801 8.043) 10.681 5.051 ( 5.340 -0.902 -5.144) 7.469 5.162 ( 1.812 1.704 7.793) 8.180 5.452 ( -1.050 -3.135 -3.297) 4.669 5.497 ( -4.138 -4.720 0.743) 6.322 5.562 ( 5.453 7.673 1.934) 9.610 5.794 ( 5.769 -1.970 -0.280) 6.102 6.051 ( -0.320 -2.216 0.807) 2.380 6.075 ( -0.508 -4.584 0.293) 4.621 6.568 ( -1.599 0.769 1.093) 2.084 6.750 ( 0.724 -7.719 -0.779) 7.792 7.568 ( -1.668 2.571 -2.114) 3.723 7.622 ( -3.439 2.308 -0.897) 4.237 7.788 ( 6.354 5.018 -1.869) 8.309 7.920 ( 0.629 -0.579 0.091) 0.859 8.035 ( 4.136 2.592 0.157) 4.884 8.181 ( 4.578 -4.561 -1.719) 6.687 8.289 ( 0.234 -1.381 -1.780) 2.265 8.378 ( 4.946 -0.251 1.362) 5.137 8.446 ( 0.796 4.285 -0.605) 4.400 8.512 ( -4.047 -1.244 3.442) 5.457 8.645 ( 1.737 0.681 1.132) 2.182 8.710 ( -1.964 1.307 1.396) 2.742 8.808 ( 2.138 -3.242 -3.190) 5.026 8.977 ( -3.912 -1.200 -0.114) 4.094 9.008 ( -2.045 -2.412 -3.054) 4.396 9.110 ( 3.045 -4.965 -1.163) 5.939 9.202 ( 0.937 0.019 2.789) 2.942 9.268 ( 4.623 0.200 0.732) 4.685 9.453 ( -5.686 0.605 0.472) 5.738 9.544 ( -2.703 -8.383 1.965) 9.025 9.774 ( 5.777 4.497 4.699) 8.699 9.855 ( 3.307 0.647 2.443) 4.162 9.949 ( 1.848 0.152 1.447) 2.352 10.074 ( 1.726 8.258 1.064) 8.503 10.101 ( 2.721 -3.101 5.682) 7.021 10.313 ( 2.718 -1.157 -6.714) 7.335 10.792 ( 0.148 6.419 -4.961) 8.114 10.969 ( -7.539 -3.033 -7.544) 11.088 11.083 ( 2.437 5.802 4.696) 7.852 11.368 ( -7.394 -7.157 9.205) 13.807 11.464 ( -2.228 5.612 -2.086) 6.388 11.610 ( -5.641 -1.532 0.965) 5.924 11.998 ( 0.200 7.966 2.248) 8.280 12.204 ( -0.195 5.075 2.139) 5.511 12.329 ( 1.982 7.098 -3.988) 8.380 12.444 ( -1.250 4.372 -3.906) 5.995 12.536 ( -1.732 -6.142 -10.355) 12.164 12.644 ( -7.867 -1.938 -7.111) 10.780 12.905 ( 9.317 1.607 2.256) 9.720 13.205 ( 1.109 -13.329 9.796) 16.579 13.543 ( 1.485 8.955 -3.139) 9.605 13.738 ( -0.628 -0.080 -0.612) 0.880 13.839 ( 3.291 -6.175 0.474) 7.014 13.962 ( 0.341 -5.958 -4.405) 7.417 14.390 ( -4.220 11.189 1.699) 12.078 14.550 ( -0.024 4.919 4.279) 6.519 14.655 ( -11.965 4.338 -2.855) 13.043 14.879 ( 1.099 -5.701 -2.248) 6.226 14.958 ( -0.505 -4.538 -2.961) 5.442 15.104 ( -1.955 -10.163 -0.209) 10.352 15.470 ( 4.850 -0.046 -0.419) 4.868 15.539 ( 0.416 -3.249 0.263) 3.286 17.418 ( 1.154 -0.111 9.433) 9.504 17.455 ( 2.034 -2.545 13.461) 13.849 18.153 ( 0.530 0.319 -5.503) 5.538 18.187 ( 1.933 -2.367 -4.004) 5.037 19.234 ( 3.490 5.544 5.310) 8.433 19.353 ( 2.878 -0.273 3.730) 4.719 19.515 ( 4.607 -2.547 -2.731) 5.930 19.641 ( 1.629 -8.788 -2.531) 9.289 21.898 ( 7.971 4.315 1.044) 9.123 22.041 ( 6.496 -3.179 1.092) 7.314 22.630 ( 2.217 7.139 -0.057) 7.475 22.763 ( 0.732 1.321 -0.891) 1.754 23.368 ( -3.971 2.430 -0.309) 4.665 23.557 ( -4.333 -7.120 -1.326) 8.439 24.259 ( -9.123 5.124 -1.617) 10.588 24.378 ( -10.952 -1.046 -4.950) 12.064 ======================= Grid point 91 (49/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -1.448 -17.820 11.793) 21.418 2.037 ( -1.448 17.820 11.793) 21.418 2.335 ( 0.604 -18.362 6.756) 19.575 2.335 ( 0.604 18.362 6.756) 19.575 2.721 ( 0.521 -7.073 -5.650) 9.067 2.721 ( 0.521 7.073 -5.650) 9.067 2.834 ( 3.325 -2.370 -2.024) 4.558 2.834 ( 3.325 2.370 -2.024) 4.558 2.995 ( -0.775 -2.497 -4.690) 5.369 2.995 ( -0.775 2.497 -4.690) 5.369 3.159 ( -5.813 -1.042 -1.919) 6.210 3.159 ( -5.813 1.042 -1.919) 6.210 3.268 ( -0.584 -4.472 -1.475) 4.745 3.268 ( -0.584 4.472 -1.475) 4.745 3.301 ( -1.019 -12.346 0.156) 12.389 3.301 ( -1.019 12.346 0.156) 12.389 3.498 ( 1.438 -3.437 -2.458) 4.464 3.498 ( 1.438 3.437 -2.458) 4.464 3.632 ( 1.422 -6.064 -3.915) 7.357 3.632 ( 1.422 6.064 -3.915) 7.357 3.740 ( 2.461 -1.472 2.763) 3.982 3.740 ( 2.461 1.472 2.763) 3.982 3.975 ( 3.747 -12.689 1.755) 13.346 3.975 ( 3.747 12.689 1.755) 13.346 4.170 ( -3.599 -5.505 9.180) 11.293 4.170 ( -3.599 5.505 9.180) 11.293 4.461 ( 0.490 -5.993 -8.046) 10.045 4.461 ( 0.490 5.993 -8.046) 10.045 5.017 ( -0.554 -2.859 0.855) 3.035 5.017 ( -0.554 2.859 0.855) 3.035 5.222 ( -0.616 -2.718 4.085) 4.946 5.222 ( -0.616 2.718 4.085) 4.946 5.340 ( -1.191 -4.642 -1.419) 4.998 5.340 ( -1.191 4.642 -1.419) 4.998 5.777 ( 1.464 -7.308 -0.265) 7.458 5.777 ( 1.464 7.308 -0.265) 7.458 6.033 ( 0.546 -0.401 1.077) 1.272 6.033 ( 0.546 0.401 1.077) 1.272 6.599 ( -1.090 -5.951 -0.255) 6.055 6.599 ( -1.090 5.951 -0.255) 6.055 7.579 ( -0.445 -2.081 -2.817) 3.531 7.579 ( -0.445 2.081 -2.817) 3.531 7.931 ( 2.467 -3.371 1.983) 4.624 7.931 ( 2.467 3.371 1.983) 4.624 8.181 ( 2.370 -2.998 -2.016) 4.321 8.181 ( 2.370 2.998 -2.016) 4.321 8.263 ( -5.516 -5.187 -1.466) 7.712 8.263 ( -5.516 5.187 -1.466) 7.712 8.502 ( 2.167 -2.439 6.322) 7.114 8.502 ( 2.167 2.439 6.322) 7.114 8.715 ( -2.529 -2.684 -2.048) 4.219 8.715 ( -2.529 2.684 -2.048) 4.219 8.866 ( 3.211 -3.268 -3.421) 5.718 8.866 ( 3.211 3.268 -3.421) 5.718 9.012 ( -0.852 -3.453 1.874) 4.020 9.012 ( -0.852 3.453 1.874) 4.020 9.256 ( -2.929 -3.216 -2.474) 5.004 9.256 ( -2.929 3.216 -2.474) 5.004 9.430 ( 1.501 -2.617 1.342) 3.302 9.430 ( 1.501 2.617 1.342) 3.302 9.924 ( 1.755 -5.397 5.284) 7.754 9.924 ( 1.755 5.397 5.284) 7.754 9.983 ( 0.298 -0.530 7.951) 7.974 9.983 ( 0.298 0.530 7.951) 7.974 10.355 ( 2.396 -6.247 -6.866) 9.587 10.355 ( 2.396 6.247 -6.866) 9.587 10.805 ( -5.050 -1.668 -2.983) 6.098 10.805 ( -5.050 1.668 -2.983) 6.098 11.145 ( -2.651 -3.212 1.040) 4.292 11.145 ( -2.651 3.212 1.040) 4.292 11.560 ( 4.415 -4.397 2.003) 6.545 11.560 ( 4.415 4.397 2.003) 6.545 12.183 ( -2.160 -5.209 0.015) 5.639 12.183 ( -2.160 5.209 0.015) 5.639 12.391 ( -1.614 -2.890 -8.237) 8.877 12.391 ( -1.614 2.890 -8.237) 8.877 12.518 ( 2.792 -0.200 -4.785) 5.543 12.518 ( 2.792 0.200 -4.785) 5.543 13.068 ( 0.280 -4.274 5.937) 7.321 13.068 ( 0.280 4.274 5.937) 7.321 13.703 ( -0.555 -5.892 0.891) 5.985 13.703 ( -0.555 5.892 0.891) 5.985 13.898 ( 4.390 -5.922 -2.290) 7.719 13.898 ( 4.390 5.922 -2.290) 7.719 14.418 ( -4.786 -1.695 -0.772) 5.135 14.418 ( -4.786 1.695 -0.772) 5.135 14.817 ( 2.416 -8.405 -0.637) 8.768 14.817 ( 2.416 8.405 -0.637) 8.768 14.876 ( -1.013 -6.094 3.784) 7.244 14.876 ( -1.013 6.094 3.784) 7.244 15.531 ( 0.021 -0.957 -2.602) 2.772 15.531 ( 0.021 0.957 -2.602) 2.772 17.441 ( -0.169 -1.447 10.321) 10.424 17.441 ( -0.169 1.447 10.321) 10.424 18.171 ( 0.522 -1.566 -4.665) 4.948 18.171 ( 0.522 1.566 -4.665) 4.948 19.355 ( -0.771 -2.851 2.815) 4.081 19.355 ( -0.771 2.851 2.815) 4.081 19.545 ( 0.508 -1.953 -1.751) 2.672 19.545 ( 0.508 1.953 -1.751) 2.672 22.062 ( -0.095 -2.812 1.629) 3.252 22.062 ( -0.095 2.812 1.629) 3.252 22.721 ( -0.221 -1.250 -0.963) 1.594 22.721 ( -0.221 1.250 -0.963) 1.594 23.430 ( 0.873 -4.454 -1.116) 4.674 23.430 ( 0.873 4.454 -1.116) 4.674 24.230 ( -0.571 -3.021 -2.212) 3.788 24.230 ( -0.571 3.021 -2.212) 3.788 ======================= Grid point 93 (50/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 2.286 -15.837 8.518) 18.127 2.047 ( 2.286 15.837 8.518) 18.127 2.335 ( 0.003 -17.281 7.796) 18.958 2.335 ( 0.003 17.281 7.796) 18.958 2.731 ( 0.403 -6.450 -4.179) 7.696 2.731 ( 0.403 6.450 -4.179) 7.696 2.851 ( -3.899 -3.773 -5.077) 7.431 2.851 ( -3.899 3.773 -5.077) 7.431 2.969 ( -0.884 -2.698 -0.665) 2.916 2.969 ( -0.884 2.698 -0.665) 2.916 3.059 ( -3.016 -2.835 -0.354) 4.154 3.059 ( -3.016 2.835 -0.354) 4.154 3.270 ( 2.548 -2.401 -3.445) 4.912 3.270 ( 2.548 2.401 -3.445) 4.912 3.332 ( 1.862 -9.702 -3.627) 10.524 3.332 ( 1.862 9.702 -3.627) 10.524 3.519 ( 1.097 -4.337 -1.929) 4.872 3.519 ( 1.097 4.337 -1.929) 4.872 3.657 ( 0.507 -7.854 0.102) 7.871 3.657 ( 0.507 7.854 0.102) 7.871 3.863 ( 8.799 -4.280 2.492) 10.097 3.863 ( 8.799 4.280 2.492) 10.097 4.033 ( 4.759 -18.372 3.519) 19.301 4.033 ( 4.759 18.372 3.519) 19.301 4.192 ( 3.699 -6.623 3.924) 8.541 4.192 ( 3.699 6.623 3.924) 8.541 4.513 ( 4.619 -2.947 -6.501) 8.502 4.513 ( 4.619 2.947 -6.501) 8.502 4.981 ( -2.447 -3.069 3.584) 5.316 4.981 ( -2.447 3.069 3.584) 5.316 5.091 ( -8.922 -4.810 1.500) 10.246 5.091 ( -8.922 4.810 1.500) 10.246 5.375 ( 0.498 -5.446 -0.476) 5.490 5.375 ( 0.498 5.446 -0.476) 5.490 5.771 ( -1.765 -6.759 -0.127) 6.987 5.771 ( -1.765 6.759 -0.127) 6.987 6.054 ( 1.768 -1.323 1.411) 2.621 6.054 ( 1.768 1.323 1.411) 2.621 6.582 ( -0.693 -5.440 -0.860) 5.551 6.582 ( -0.693 5.440 -0.860) 5.551 7.614 ( 3.874 -2.919 -2.022) 5.255 7.614 ( 3.874 2.919 -2.022) 5.255 7.923 ( -2.942 -2.353 0.629) 3.819 7.923 ( -2.942 2.353 0.629) 3.819 8.097 ( -6.512 -5.009 -1.474) 8.347 8.097 ( -6.512 5.009 -1.474) 8.347 8.301 ( 5.261 -7.084 -3.054) 9.338 8.301 ( 5.261 7.084 -3.054) 9.338 8.489 ( -4.678 -0.869 2.938) 5.592 8.489 ( -4.678 0.869 2.938) 5.592 8.688 ( 0.705 -4.551 0.174) 4.608 8.688 ( 0.705 4.551 0.174) 4.608 8.836 ( -6.135 -4.772 -0.969) 7.832 8.836 ( -6.135 4.772 -0.969) 7.832 9.046 ( 3.246 -1.601 2.922) 4.652 9.046 ( 3.246 1.601 2.922) 4.652 9.200 ( -0.604 -2.542 -1.873) 3.215 9.200 ( -0.604 2.542 -1.873) 3.215 9.479 ( 2.452 -7.272 1.993) 7.929 9.479 ( 2.452 7.272 1.993) 7.929 9.964 ( 0.147 -5.434 2.766) 6.099 9.964 ( 0.147 5.434 2.766) 6.099 9.986 ( 1.887 -3.832 7.400) 8.545 9.986 ( 1.887 3.832 7.400) 8.545 10.239 ( -11.130 -8.552 -3.601) 14.490 10.239 ( -11.130 8.552 -3.601) 14.490 10.754 ( -2.136 -3.192 -8.417) 9.252 10.754 ( -2.136 3.192 -8.417) 9.252 11.153 ( 3.768 -2.457 1.841) 4.860 11.153 ( 3.768 2.457 1.841) 4.860 11.684 ( 6.005 -9.655 4.417) 12.198 11.684 ( 6.005 9.655 4.417) 12.198 12.095 ( -3.791 -1.843 -0.885) 4.307 12.095 ( -3.791 1.843 -0.885) 4.307 12.446 ( 5.854 -0.783 -8.008) 9.950 12.446 ( 5.854 0.783 -8.008) 9.950 12.620 ( 6.820 -5.636 -4.659) 9.999 12.620 ( 6.820 5.636 -4.659) 9.999 12.992 ( -7.439 -2.373 8.503) 11.544 12.992 ( -7.439 2.373 8.503) 11.544 13.658 ( -3.398 -5.052 1.619) 6.300 13.658 ( -3.398 5.052 1.619) 6.300 13.934 ( 0.281 -7.013 -2.849) 7.575 13.934 ( 0.281 7.013 -2.849) 7.575 14.445 ( 4.395 -4.158 -0.176) 6.052 14.445 ( 4.395 4.158 -0.176) 6.052 14.834 ( 3.703 -2.929 -2.250) 5.230 14.834 ( 3.703 2.929 -2.250) 5.230 14.927 ( 2.128 -4.854 0.323) 5.309 14.927 ( 2.128 4.854 0.323) 5.309 15.484 ( -3.958 -1.756 -0.783) 4.400 15.484 ( -3.958 1.756 -0.783) 4.400 17.423 ( -1.840 -1.665 10.369) 10.662 17.423 ( -1.840 1.665 10.369) 10.662 18.175 ( 0.075 -1.917 -4.506) 4.898 18.175 ( 0.075 1.917 -4.506) 4.898 19.302 ( -4.298 -1.765 2.560) 5.305 19.302 ( -4.298 1.765 2.560) 5.305 19.532 ( -1.722 -2.809 -1.526) 3.631 19.532 ( -1.722 2.809 -1.526) 3.631 21.974 ( -7.354 -3.044 1.098) 8.035 21.974 ( -7.354 3.044 1.098) 8.035 22.728 ( -1.722 -4.468 -0.464) 4.811 22.728 ( -1.722 4.468 -0.464) 4.811 23.465 ( 4.664 -5.581 -0.124) 7.275 23.465 ( 4.664 5.581 -0.124) 7.275 24.322 ( 8.777 -2.816 -2.983) 9.688 24.322 ( 8.777 2.816 -2.983) 9.688 ======================= Grid point 95 (51/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 5.027 -13.054 2.625) 14.232 2.122 ( 5.027 13.054 2.625) 14.232 2.368 ( 3.195 -13.113 8.745) 16.082 2.368 ( 3.195 13.113 8.745) 16.082 2.641 ( -9.530 -6.524 -4.553) 12.414 2.641 ( -9.530 6.524 -4.553) 12.414 2.787 ( -0.896 -4.985 -2.894) 5.833 2.787 ( -0.896 4.985 -2.894) 5.833 2.970 ( 0.681 -6.639 2.543) 7.142 2.970 ( 0.681 6.639 2.543) 7.142 3.039 ( 0.253 -4.190 0.282) 4.207 3.039 ( 0.253 4.190 0.282) 4.207 3.299 ( -0.098 -3.889 -2.645) 4.704 3.299 ( -0.098 3.889 -2.645) 4.704 3.394 ( 4.377 -6.368 -5.439) 9.450 3.394 ( 4.377 6.368 -5.439) 9.450 3.499 ( -2.777 -4.722 -2.692) 6.104 3.499 ( -2.777 4.722 -2.692) 6.104 3.691 ( 3.181 -7.033 -1.811) 7.928 3.691 ( 3.181 7.033 -1.811) 7.928 4.011 ( 6.185 -3.776 2.466) 7.655 4.011 ( 6.185 3.776 2.466) 7.655 4.207 ( 7.808 -12.006 2.226) 14.494 4.207 ( 7.808 12.006 2.226) 14.494 4.264 ( 6.490 -6.803 4.844) 10.576 4.264 ( 6.490 6.803 4.844) 10.576 4.594 ( 3.111 -1.919 -5.047) 6.232 4.594 ( 3.111 1.919 -5.047) 6.232 4.921 ( -6.578 -4.305 -0.505) 7.878 4.921 ( -6.578 4.305 -0.505) 7.878 4.981 ( 1.606 -2.381 8.007) 8.506 4.981 ( 1.606 2.381 8.007) 8.506 5.315 ( -6.270 -3.209 -1.612) 7.226 5.315 ( -6.270 3.209 -1.612) 7.226 5.719 ( -3.554 -5.795 -0.585) 6.823 5.719 ( -3.554 5.795 -0.585) 6.823 6.100 ( 2.537 -1.672 2.191) 3.746 6.100 ( 2.537 1.672 2.191) 3.746 6.576 ( 0.311 -4.258 -1.875) 4.663 6.576 ( 0.311 4.258 -1.875) 4.663 7.699 ( 3.761 -4.528 1.213) 6.010 7.699 ( 3.761 4.528 1.213) 6.010 7.876 ( -0.818 -0.628 -6.002) 6.090 7.876 ( -0.818 0.628 -6.002) 6.090 7.980 ( -5.316 -4.534 -0.220) 6.990 7.980 ( -5.316 4.534 -0.220) 6.990 8.331 ( -5.761 -8.689 -4.961) 11.546 8.331 ( -5.761 8.689 -4.961) 11.546 8.403 ( -0.235 -2.324 -1.830) 2.967 8.403 ( -0.235 2.324 -1.830) 2.967 8.627 ( -6.801 -6.147 -0.074) 9.168 8.627 ( -6.801 6.147 -0.074) 9.168 8.807 ( 4.624 -3.237 6.631) 8.708 8.807 ( 4.624 3.237 6.631) 8.708 9.097 ( 2.612 -3.207 2.581) 4.875 9.097 ( 2.612 3.207 2.581) 4.875 9.237 ( 2.527 -3.519 1.555) 4.603 9.237 ( 2.527 3.519 1.555) 4.603 9.490 ( -2.018 -11.967 3.161) 12.541 9.490 ( -2.018 11.967 3.161) 12.541 9.880 ( -7.693 -2.156 4.243) 9.046 9.880 ( -7.693 2.156 4.243) 9.046 9.998 ( -4.885 -9.847 4.757) 11.978 9.998 ( -4.885 9.847 4.757) 11.978 10.151 ( 6.262 -3.823 -5.504) 9.172 10.151 ( 6.262 3.823 -5.504) 9.172 10.696 ( -2.688 -2.248 -13.344) 13.796 10.696 ( -2.688 2.248 -13.344) 13.796 11.256 ( 5.954 -0.356 4.721) 7.607 11.256 ( 5.954 0.356 4.721) 7.607 11.721 ( -1.791 -11.629 3.513) 12.280 11.721 ( -1.791 11.629 3.513) 12.280 12.092 ( 2.349 -3.227 2.981) 4.982 12.092 ( 2.349 3.227 2.981) 4.982 12.546 ( 2.053 -2.025 -4.769) 5.573 12.546 ( 2.053 2.025 -4.769) 5.573 12.738 ( 4.956 -7.953 -5.747) 10.993 12.738 ( 4.956 7.953 -5.747) 10.993 12.846 ( -5.697 -5.676 7.923) 11.289 12.846 ( -5.697 5.676 7.923) 11.289 13.623 ( 0.720 -2.497 2.886) 3.884 13.623 ( 0.720 2.497 2.886) 3.884 13.973 ( 4.559 -5.223 -3.554) 7.790 13.973 ( 4.559 5.223 -3.554) 7.790 14.484 ( -0.147 -6.665 1.011) 6.742 14.484 ( -0.147 6.665 1.011) 6.742 14.821 ( -8.217 -5.079 -5.544) 11.138 14.821 ( -8.217 5.079 -5.544) 11.138 15.031 ( 9.063 -3.048 -4.743) 10.674 15.031 ( 9.063 3.048 -4.743) 10.674 15.427 ( -1.009 -4.424 2.256) 5.068 15.427 ( -1.009 4.424 2.256) 5.068 17.386 ( -1.945 -1.816 10.939) 11.258 17.386 ( -1.945 1.816 10.939) 11.258 18.174 ( -0.128 -2.302 -4.657) 5.197 18.174 ( -0.128 2.302 -4.657) 5.197 19.216 ( -4.047 -0.752 2.740) 4.945 19.216 ( -4.047 0.752 2.740) 4.945 19.486 ( -2.731 -3.674 -1.666) 4.872 19.486 ( -2.731 3.674 -1.666) 4.872 21.833 ( -6.477 -3.499 0.618) 7.387 21.833 ( -6.477 3.499 0.618) 7.387 22.623 ( -7.557 -2.298 -0.045) 7.899 22.623 ( -7.557 2.298 -0.045) 7.899 23.620 ( 9.522 -2.917 1.270) 10.039 23.620 ( 9.522 2.917 1.270) 10.039 24.504 ( 8.896 -2.919 -3.873) 10.133 24.504 ( 8.896 2.919 -3.873) 10.133 ======================= Grid point 97 (52/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.018 -7.653 -1.638) 9.872 2.235 ( 6.018 7.653 -1.638) 9.872 2.361 ( -6.436 -4.438 -2.017) 8.074 2.361 ( -6.436 4.438 -2.017) 8.074 2.562 ( 4.810 -13.377 6.349) 15.569 2.562 ( 4.810 13.377 6.349) 15.569 2.739 ( -4.551 -3.045 2.183) 5.895 2.739 ( -4.551 3.045 2.183) 5.895 2.968 ( -0.611 -7.324 2.314) 7.705 2.968 ( -0.611 7.324 2.314) 7.705 3.075 ( 2.541 -6.989 0.581) 7.460 3.075 ( 2.541 6.989 0.581) 7.460 3.266 ( -2.774 -4.076 0.256) 4.937 3.266 ( -2.774 4.076 0.256) 4.937 3.441 ( -0.278 -3.610 -7.319) 8.165 3.441 ( -0.278 3.610 -7.319) 8.165 3.495 ( 3.275 -2.431 -5.025) 6.472 3.495 ( 3.275 2.431 -5.025) 6.472 3.740 ( 1.423 -3.566 -5.133) 6.410 3.740 ( 1.423 3.566 -5.133) 6.410 4.108 ( 3.217 -5.761 3.479) 7.460 4.108 ( 3.217 5.761 3.479) 7.460 4.220 ( -1.119 -3.250 -1.698) 3.833 4.220 ( -1.119 3.250 -1.698) 3.833 4.414 ( 0.629 -4.344 9.665) 10.615 4.414 ( 0.629 4.344 9.665) 10.615 4.663 ( 4.962 -0.474 -0.525) 5.012 4.663 ( 4.962 0.474 -0.525) 5.012 4.831 ( -0.965 -4.226 -1.362) 4.544 4.831 ( -0.965 4.226 -1.362) 4.544 5.062 ( 4.622 -2.994 7.094) 8.981 5.062 ( 4.622 2.994 7.094) 8.981 5.179 ( -5.840 -1.729 -2.336) 6.523 5.179 ( -5.840 1.729 -2.336) 6.523 5.644 ( -3.506 -4.439 -2.004) 6.001 5.644 ( -3.506 4.439 -2.004) 6.001 6.133 ( 0.331 -1.161 2.714) 2.970 6.133 ( 0.331 1.161 2.714) 2.970 6.597 ( 1.883 -3.661 -2.212) 4.674 6.597 ( 1.883 3.661 -2.212) 4.674 7.737 ( -0.922 -2.301 1.944) 3.150 7.737 ( -0.922 2.301 1.944) 3.150 7.838 ( -1.370 -1.396 -6.369) 6.662 7.838 ( -1.370 1.396 -6.369) 6.662 7.947 ( 1.106 -3.494 -3.280) 4.918 7.947 ( 1.106 3.494 -3.280) 4.918 8.209 ( -3.834 -4.920 -2.996) 6.920 8.209 ( -3.834 4.920 -2.996) 6.920 8.419 ( 0.041 -4.042 -3.454) 5.317 8.419 ( 0.041 4.042 -3.454) 5.317 8.528 ( -1.715 -8.277 -1.459) 8.578 8.528 ( -1.715 8.277 -1.459) 8.578 8.913 ( 4.204 -2.398 7.645) 9.049 8.913 ( 4.204 2.398 7.645) 9.049 9.159 ( 2.793 -4.809 3.538) 6.591 9.159 ( 2.793 4.809 3.538) 6.591 9.249 ( -1.152 -4.645 5.267) 7.117 9.249 ( -1.152 4.645 5.267) 7.117 9.418 ( -3.740 -8.994 2.068) 9.958 9.418 ( -3.740 8.994 2.068) 9.958 9.735 ( -5.950 -2.986 4.137) 7.838 9.735 ( -5.950 2.986 4.137) 7.838 9.935 ( -1.853 -6.725 2.799) 7.517 9.935 ( -1.853 6.725 2.799) 7.517 10.284 ( 5.319 -2.240 -5.084) 7.691 10.284 ( 5.319 2.240 -5.084) 7.691 10.675 ( 1.584 -2.139 -16.267) 16.484 10.675 ( 1.584 2.139 -16.267) 16.484 11.366 ( 4.641 -3.249 6.295) 8.469 11.366 ( 4.641 3.249 6.295) 8.469 11.672 ( -2.481 -5.107 4.362) 7.160 11.672 ( -2.481 5.107 4.362) 7.160 12.120 ( -0.358 -1.394 5.624) 5.805 12.120 ( -0.358 1.394 5.624) 5.805 12.486 ( -5.556 -3.226 4.303) 7.732 12.486 ( -5.556 3.226 4.303) 7.732 12.764 ( -1.170 -7.511 -3.379) 8.319 12.764 ( -1.170 7.511 -3.379) 8.319 12.856 ( 4.093 -4.423 -4.950) 7.798 12.856 ( 4.093 4.423 -4.950) 7.798 13.678 ( 3.459 -5.004 5.081) 7.926 13.678 ( 3.459 5.004 5.081) 7.926 14.098 ( 6.891 -5.206 -3.520) 9.326 14.098 ( 6.891 5.206 -3.520) 9.326 14.452 ( -3.808 -7.511 -1.450) 8.545 14.452 ( -3.808 7.511 -1.450) 8.545 14.636 ( -6.405 -1.979 -5.639) 8.760 14.636 ( -6.405 1.979 -5.639) 8.760 15.136 ( 0.898 -1.539 -4.151) 4.518 15.136 ( 0.898 1.539 -4.151) 4.518 15.453 ( 2.871 -4.364 0.685) 5.268 15.453 ( 2.871 4.364 0.685) 5.268 17.363 ( -0.681 -2.030 11.835) 12.028 17.363 ( -0.681 2.030 11.835) 12.028 18.166 ( -0.535 -2.181 -5.096) 5.569 18.166 ( -0.535 2.181 -5.096) 5.569 19.166 ( -1.039 -1.654 3.080) 3.647 19.166 ( -1.039 1.654 3.080) 3.647 19.440 ( -1.588 -4.208 -1.948) 4.901 19.440 ( -1.588 4.208 -1.948) 4.901 21.743 ( -2.507 -1.661 0.415) 3.035 21.743 ( -2.507 1.661 0.415) 3.035 22.504 ( -3.592 -0.961 0.144) 3.721 22.504 ( -3.592 0.961 0.144) 3.721 23.762 ( 3.992 -1.313 1.997) 4.652 23.762 ( 3.992 1.313 1.997) 4.652 24.630 ( 3.780 -2.717 -4.238) 6.295 24.630 ( 3.780 2.717 -4.238) 6.295 ======================= Grid point 99 (53/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -5.947 -10.397 -0.789) 12.004 2.194 ( -5.947 10.397 -0.789) 12.004 2.387 ( 5.166 -2.918 -2.373) 6.390 2.387 ( 5.166 2.918 -2.373) 6.390 2.616 ( -4.233 -9.520 3.926) 11.134 2.616 ( -4.233 9.520 3.926) 11.134 2.714 ( 6.235 -7.694 5.562) 11.358 2.714 ( 6.235 7.694 5.562) 11.358 2.957 ( -0.833 -6.505 0.254) 6.563 2.957 ( -0.833 6.505 0.254) 6.563 3.110 ( 1.326 -8.219 3.004) 8.850 3.110 ( 1.326 8.219 3.004) 8.850 3.231 ( -0.085 -2.304 -1.233) 2.615 3.231 ( -0.085 2.304 -1.233) 2.615 3.432 ( -0.603 -6.842 -7.705) 10.322 3.432 ( -0.603 6.843 -7.705) 10.322 3.531 ( -0.156 -2.183 -4.538) 5.038 3.531 ( -0.156 2.183 -4.538) 5.038 3.747 ( -0.027 -1.539 -5.371) 5.587 3.747 ( -0.027 1.539 -5.371) 5.587 4.076 ( -5.333 -3.261 -0.135) 6.253 4.076 ( -5.333 3.261 -0.135) 6.253 4.260 ( -9.064 -5.494 1.667) 10.729 4.260 ( -9.064 5.494 1.667) 10.729 4.293 ( 2.461 -3.857 6.358) 7.833 4.293 ( 2.461 3.857 6.358) 7.833 4.687 ( -3.735 -1.930 2.499) 4.891 4.687 ( -3.735 1.930 2.499) 4.891 4.874 ( 3.237 -4.020 -0.086) 5.162 4.874 ( 3.237 4.020 -0.086) 5.162 5.073 ( -2.873 -3.888 5.565) 7.372 5.073 ( -2.873 3.888 5.565) 7.372 5.217 ( 9.185 -3.019 -1.063) 9.727 5.217 ( 9.185 3.019 -1.063) 9.727 5.609 ( 0.031 -3.894 -2.422) 4.586 5.609 ( 0.031 3.894 -2.422) 4.586 6.110 ( -2.387 -0.752 1.789) 3.077 6.110 ( -2.387 0.752 1.789) 3.077 6.634 ( 1.466 -3.398 -1.153) 3.876 6.634 ( 1.466 3.398 -1.153) 3.876 7.667 ( -3.306 -0.956 -0.737) 3.520 7.667 ( -3.306 0.956 -0.737) 3.520 7.881 ( 2.806 -0.786 -3.444) 4.512 7.881 ( 2.806 0.786 -3.444) 4.512 7.978 ( 2.773 -2.128 -3.820) 5.177 7.978 ( 2.773 2.128 -3.820) 5.177 8.187 ( -0.269 -2.922 -4.415) 5.301 8.187 ( -0.269 2.922 -4.415) 5.301 8.378 ( 0.567 -5.258 -1.329) 5.453 8.378 ( 0.567 5.258 -1.329) 5.453 8.595 ( 5.108 -3.802 -2.479) 6.833 8.595 ( 5.108 3.802 -2.479) 6.833 8.923 ( -3.171 -3.689 9.016) 10.245 8.923 ( -3.171 3.689 9.016) 10.245 9.143 ( -3.830 -1.534 3.358) 5.320 9.143 ( -3.830 1.534 3.358) 5.320 9.237 ( 0.105 -4.112 4.897) 6.395 9.237 ( 0.105 4.112 4.897) 6.395 9.425 ( 3.059 -3.952 1.742) 5.293 9.425 ( 3.059 3.952 1.742) 5.293 9.678 ( 1.000 -6.264 1.740) 6.577 9.678 ( 1.000 6.264 1.740) 6.577 9.910 ( -1.093 -1.720 2.335) 3.100 9.910 ( -1.093 1.720 2.335) 3.100 10.320 ( -1.139 -1.826 -3.413) 4.035 10.320 ( -1.139 1.826 -3.413) 4.035 10.750 ( 5.738 -1.008 -15.461) 16.522 10.750 ( 5.738 1.008 -15.461) 16.522 11.400 ( -1.997 -4.379 8.845) 10.069 11.400 ( -1.997 4.379 8.845) 10.069 11.651 ( 0.130 -6.507 1.546) 6.690 11.651 ( 0.130 6.507 1.546) 6.690 12.096 ( -1.151 -6.132 7.319) 9.617 12.096 ( -1.151 6.132 7.319) 9.617 12.414 ( -1.487 -4.347 2.578) 5.268 12.414 ( -1.487 4.347 2.578) 5.268 12.746 ( -1.019 -5.341 -6.718) 8.642 12.746 ( -1.019 5.341 -6.718) 8.642 12.904 ( 1.103 -7.229 -1.268) 7.422 12.904 ( 1.103 7.229 -1.268) 7.422 13.704 ( -1.390 -7.545 5.848) 9.646 13.704 ( -1.390 7.545 5.848) 9.646 14.095 ( -8.184 -6.765 -3.764) 11.266 14.095 ( -8.184 6.765 -3.764) 11.266 14.426 ( 4.154 -4.891 -3.345) 7.237 14.426 ( 4.154 4.891 -3.345) 7.237 14.666 ( 7.898 -2.358 -3.570) 8.983 14.666 ( 7.898 2.358 -3.570) 8.983 15.087 ( -5.007 -1.869 -4.800) 7.183 15.087 ( -5.007 1.869 -4.800) 7.183 15.489 ( 0.083 -4.480 0.781) 4.548 15.489 ( 0.083 4.480 0.781) 4.548 17.365 ( 0.538 -2.038 12.044) 12.227 17.365 ( 0.538 2.038 12.044) 12.227 18.154 ( -0.461 -1.753 -5.462) 5.755 18.154 ( -0.461 1.753 -5.462) 5.755 19.178 ( 2.165 -2.799 3.491) 4.971 19.178 ( 2.165 2.799 3.491) 4.971 19.434 ( 1.039 -4.792 -2.245) 5.393 19.434 ( 1.039 4.792 -2.245) 5.393 21.742 ( 2.417 -1.698 0.394) 2.980 21.742 ( 2.417 1.698 0.394) 2.980 22.507 ( 3.923 -0.968 0.215) 4.047 22.507 ( 3.923 0.968 0.215) 4.047 23.754 ( -4.892 -1.697 1.778) 5.475 23.754 ( -4.892 1.697 1.778) 5.475 24.637 ( -3.008 -3.056 -4.056) 5.902 24.637 ( -3.008 3.056 -4.056) 5.902 ======================= Grid point 101 (54/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -2.000 -14.446 3.561) 15.012 2.119 ( -2.000 14.446 3.561) 15.012 2.372 ( -5.158 -12.294 8.306) 15.708 2.372 ( -5.158 12.294 8.306) 15.708 2.634 ( 5.028 -4.236 -6.722) 9.403 2.634 ( 5.028 4.236 -6.722) 9.403 2.796 ( 0.960 -2.033 0.426) 2.288 2.796 ( 0.960 2.033 0.426) 2.288 2.945 ( 0.765 -1.324 0.206) 1.543 2.945 ( 0.765 1.324 0.206) 1.543 3.152 ( 2.788 -7.590 3.022) 8.633 3.152 ( 2.788 7.591 3.022) 8.633 3.265 ( 3.327 -0.571 -0.948) 3.506 3.265 ( 3.327 0.571 -0.948) 3.506 3.398 ( -2.904 -9.094 -5.427) 10.981 3.398 ( -2.904 9.094 -5.427) 10.981 3.507 ( -1.177 -5.949 -5.994) 8.527 3.507 ( -1.177 5.949 -5.994) 8.527 3.745 ( -0.532 -5.910 -1.502) 6.121 3.745 ( -0.532 5.910 -1.502) 6.121 3.917 ( -12.321 -5.528 -0.799) 13.528 3.917 ( -12.321 5.528 -0.799) 13.528 4.020 ( -9.012 -1.512 2.027) 9.360 4.020 ( -9.012 1.512 2.027) 9.360 4.369 ( -0.526 -4.029 6.405) 7.585 4.369 ( -0.526 4.029 6.405) 7.585 4.596 ( -4.443 -5.182 -1.607) 7.013 4.596 ( -4.443 5.182 -1.607) 7.013 4.894 ( 0.843 -5.373 -2.347) 5.923 4.894 ( 0.843 5.373 -2.347) 5.923 5.071 ( 2.711 -5.633 8.124) 10.251 5.071 ( 2.711 5.633 8.124) 10.251 5.394 ( 6.789 -3.469 -0.823) 7.668 5.394 ( 6.789 3.469 -0.823) 7.668 5.631 ( 2.451 -5.076 -1.376) 5.802 5.631 ( 2.451 5.076 -1.376) 5.802 6.061 ( -2.278 -0.618 0.633) 2.444 6.061 ( -2.278 0.618 0.633) 2.444 6.643 ( -0.503 -3.904 -0.221) 3.943 6.643 ( -0.503 3.904 -0.221) 3.943 7.644 ( 0.167 -2.538 -0.108) 2.546 7.644 ( 0.167 2.538 -0.108) 2.546 7.887 ( -2.525 -4.069 -1.971) 5.179 7.887 ( -2.525 4.069 -1.971) 5.179 8.018 ( 2.565 -3.692 -5.116) 6.811 8.018 ( 2.565 3.692 -5.116) 6.811 8.227 ( 5.506 -1.596 -3.291) 6.610 8.227 ( 5.506 1.596 -3.291) 6.610 8.490 ( 7.840 -5.136 -0.474) 9.384 8.490 ( 7.840 5.136 -0.474) 9.384 8.631 ( -1.422 -5.270 -1.074) 5.563 8.631 ( -1.422 5.270 -1.074) 5.563 8.866 ( -1.803 -9.043 8.556) 12.579 8.866 ( -1.803 9.043 8.556) 12.579 9.080 ( -1.950 -0.514 0.764) 2.157 9.080 ( -1.950 0.514 0.764) 2.157 9.224 ( -1.616 -7.341 1.893) 7.752 9.224 ( -1.616 7.341 1.893) 7.752 9.469 ( 1.525 -2.934 1.704) 3.720 9.469 ( 1.525 2.934 1.704) 3.720 9.773 ( 6.400 -12.000 1.140) 13.647 9.773 ( 6.400 12.000 1.140) 13.647 9.905 ( 1.669 -2.325 2.203) 3.612 9.905 ( 1.669 2.325 2.203) 3.612 10.264 ( -3.687 -4.429 -1.090) 5.865 10.264 ( -3.687 4.429 -1.090) 5.865 10.854 ( 4.692 -3.061 -12.157) 13.385 10.854 ( 4.692 3.061 -12.157) 13.385 11.320 ( -5.434 -6.176 10.671) 13.473 11.320 ( -5.434 6.176 10.671) 13.473 11.633 ( -2.786 -7.518 -3.121) 8.604 11.633 ( -2.786 7.518 -3.121) 8.604 12.108 ( 2.000 -6.428 6.039) 9.043 12.108 ( 2.000 6.428 6.039) 9.043 12.422 ( 1.582 -4.746 -2.411) 5.553 12.422 ( 1.582 4.746 -2.411) 5.553 12.695 ( -4.395 -7.328 -8.231) 11.864 12.695 ( -4.395 7.328 -8.231) 11.864 12.922 ( 1.354 -13.192 6.368) 14.711 12.922 ( 1.354 13.192 6.368) 14.711 13.663 ( -1.317 -7.376 3.949) 8.469 13.663 ( -1.317 7.376 3.949) 8.469 13.922 ( -7.450 -6.243 -4.720) 10.805 13.922 ( -7.450 6.243 -4.720) 10.805 14.528 ( 5.103 -6.482 1.658) 8.415 14.528 ( 5.103 6.482 1.658) 8.415 14.821 ( 3.343 -8.478 -5.381) 10.583 14.821 ( 3.343 8.478 -5.381) 10.583 14.974 ( -4.238 -1.724 -5.416) 7.090 14.974 ( -4.238 1.724 -5.416) 7.090 15.468 ( -1.124 -4.654 2.295) 5.309 15.468 ( -1.124 4.654 2.295) 5.309 17.389 ( 1.616 -1.429 11.315) 11.519 17.389 ( 1.616 1.429 11.315) 11.519 18.150 ( 0.202 -1.005 -5.382) 5.479 18.150 ( 0.202 1.005 -5.382) 5.479 19.244 ( 4.257 -3.304 3.691) 6.531 19.244 ( 4.257 3.304 3.691) 6.531 19.471 ( 2.523 -4.847 -2.383) 5.961 19.471 ( 2.523 4.847 -2.383) 5.961 21.832 ( 6.551 -3.785 0.598) 7.589 21.832 ( 6.551 3.785 0.598) 7.589 22.632 ( 7.740 -2.291 0.137) 8.073 22.632 ( 7.740 2.291 0.137) 8.073 23.597 ( -10.125 -3.434 0.714) 10.715 23.597 ( -10.125 3.434 0.714) 10.715 24.521 ( -8.468 -3.659 -3.445) 9.847 24.521 ( -8.468 3.659 -3.445) 9.847 ======================= Grid point 103 (55/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -2.757 -16.764 10.240) 19.837 2.083 ( -2.757 16.764 10.240) 19.837 2.314 ( 0.004 -18.052 7.217) 19.441 2.314 ( 0.004 18.052 7.217) 19.441 2.705 ( 1.781 -3.381 -7.913) 8.788 2.705 ( 1.781 3.381 -7.913) 8.788 2.793 ( 0.651 -1.800 -1.803) 2.630 2.793 ( 0.651 1.800 -1.803) 2.630 2.983 ( 1.961 -1.523 -2.179) 3.304 2.983 ( 1.961 1.523 -2.179) 3.304 3.205 ( 2.512 -5.709 2.522) 6.728 3.205 ( 2.512 5.709 2.522) 6.728 3.282 ( -3.925 -3.283 -1.391) 5.303 3.282 ( -3.925 3.283 -1.391) 5.303 3.367 ( 0.232 -3.722 -4.503) 5.847 3.367 ( 0.232 3.722 -4.503) 5.847 3.481 ( -1.543 -3.796 -2.306) 4.702 3.481 ( -1.543 3.796 -2.306) 4.702 3.655 ( -5.832 -7.591 -3.412) 10.163 3.655 ( -5.832 7.591 -3.412) 10.163 3.765 ( -3.049 -2.744 2.491) 4.799 3.765 ( -3.049 2.744 2.491) 4.799 3.923 ( -0.669 -8.613 0.359) 8.647 3.923 ( -0.669 8.613 0.359) 8.647 4.285 ( -6.651 -5.657 7.942) 11.803 4.285 ( -6.651 5.657 7.942) 11.803 4.502 ( -4.404 -6.114 -4.305) 8.678 4.502 ( -4.404 6.114 -4.305) 8.678 4.973 ( 5.272 -4.498 -5.340) 8.749 4.973 ( 5.272 4.498 -5.340) 8.749 5.141 ( 4.398 -4.863 9.862) 11.843 5.141 ( 4.398 4.863 9.862) 11.843 5.421 ( -3.266 -1.890 -1.592) 4.095 5.421 ( -3.266 1.890 -1.592) 4.095 5.712 ( 4.895 -6.674 -0.415) 8.287 5.712 ( 4.895 6.674 -0.415) 8.287 6.033 ( -0.652 -0.340 0.558) 0.923 6.033 ( -0.652 0.340 0.558) 0.923 6.623 ( -1.287 -5.111 -0.020) 5.270 6.623 ( -1.287 5.111 -0.020) 5.270 7.621 ( -2.842 -2.255 -1.749) 4.027 7.621 ( -2.842 2.255 -1.749) 4.027 7.869 ( 2.236 -4.175 -0.523) 4.765 7.869 ( 2.236 4.175 -0.523) 4.765 8.100 ( 5.044 -4.019 -1.804) 6.697 8.100 ( 5.044 4.019 -1.804) 6.697 8.326 ( 2.470 -4.098 -3.800) 6.110 8.326 ( 2.470 4.098 -3.800) 6.110 8.500 ( -3.885 -1.985 8.000) 9.112 8.500 ( -3.885 1.985 8.000) 9.112 8.692 ( 5.858 -6.193 -3.666) 9.279 8.692 ( 5.858 6.193 -3.666) 9.279 8.834 ( -1.432 -8.055 -0.359) 8.189 8.834 ( -1.432 8.055 -0.359) 8.189 9.051 ( -2.217 -2.628 0.357) 3.457 9.051 ( -2.217 2.628 0.357) 3.457 9.236 ( 3.381 -3.360 2.108) 5.212 9.236 ( 3.381 3.360 2.108) 5.212 9.458 ( -2.815 -0.568 -0.588) 2.932 9.458 ( -2.815 0.568 -0.588) 2.932 9.866 ( 3.897 -5.498 6.370) 9.273 9.866 ( 3.897 5.498 6.370) 9.273 9.973 ( 2.219 -6.595 2.372) 7.351 9.973 ( 2.219 6.595 2.372) 7.351 10.245 ( 3.962 -6.747 -2.676) 8.269 10.245 ( 3.962 6.747 -2.676) 8.269 10.893 ( -1.334 -4.567 -8.275) 9.545 10.893 ( -1.334 4.567 -8.275) 9.545 11.220 ( -4.848 -8.007 7.888) 12.241 11.220 ( -4.848 8.007 7.888) 12.241 11.557 ( -3.558 -3.950 -2.356) 5.815 11.557 ( -3.558 3.950 -2.356) 5.815 12.158 ( 2.772 -7.855 2.783) 8.783 12.158 ( 2.772 7.855 2.783) 8.783 12.438 ( -0.272 -4.031 -6.785) 7.897 12.438 ( -0.272 4.031 -6.785) 7.897 12.572 ( -7.362 -6.073 -6.951) 11.807 12.572 ( -7.362 6.073 -6.951) 11.807 12.992 ( 5.536 -8.223 8.504) 13.060 12.992 ( 5.536 8.223 8.504) 13.060 13.680 ( 2.221 -5.845 1.566) 6.446 13.680 ( 2.221 5.845 1.566) 6.446 13.840 ( -0.350 -5.940 -3.809) 7.065 13.840 ( -0.350 5.940 -3.809) 7.065 14.564 ( -4.897 -4.778 3.365) 7.625 14.564 ( -4.897 4.778 3.365) 7.625 14.758 ( -0.957 -5.710 -6.919) 9.022 14.758 ( -0.957 5.710 -6.919) 9.022 14.946 ( -2.921 -4.835 1.991) 5.990 14.946 ( -2.921 4.835 1.991) 5.990 15.490 ( 3.108 -1.983 -0.750) 3.762 15.490 ( 3.108 1.983 -0.750) 3.762 17.425 ( 1.466 -0.884 10.600) 10.737 17.425 ( 1.466 0.884 10.600) 10.737 18.159 ( 0.782 -0.655 -5.008) 5.110 18.159 ( 0.782 0.655 -5.008) 5.110 19.326 ( 3.447 -3.220 3.438) 5.837 19.326 ( 3.447 3.220 3.438) 5.837 19.518 ( 2.152 -3.608 -2.237) 4.759 19.518 ( 2.152 3.608 -2.237) 4.759 21.975 ( 7.387 -3.814 1.121) 8.389 21.975 ( 7.387 3.814 1.121) 8.389 22.736 ( 1.447 -3.846 -0.277) 4.118 22.736 ( 1.447 3.846 -0.277) 4.118 23.440 ( -4.082 -5.174 -0.691) 6.627 23.440 ( -4.082 5.174 -0.691) 6.627 24.339 ( -9.102 -3.220 -2.596) 9.998 24.339 ( -9.102 3.220 -2.596) 9.998 ======================= Grid point 126 (56/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 1.002 0.000 26.627) 26.646 1.314 ( -6.395 0.000 27.270) 28.010 1.669 ( -0.697 0.000 -22.123) 22.134 1.923 ( 5.995 0.000 -24.981) 25.690 2.009 ( 5.007 0.000 39.818) 40.131 2.593 ( -0.410 0.000 1.896) 1.940 2.595 ( -8.179 0.000 -12.379) 14.836 2.694 ( 5.319 0.000 -8.436) 9.973 3.024 ( 2.431 0.000 2.155) 3.249 3.094 ( -7.406 0.000 -1.681) 7.595 3.133 ( 4.008 0.000 2.028) 4.492 3.149 ( 0.013 0.000 9.413) 9.413 3.293 ( -2.933 0.000 -0.499) 2.976 3.327 ( 3.143 0.000 -1.587) 3.521 3.337 ( -3.387 0.000 -11.212) 11.713 3.426 ( 0.856 0.000 -11.814) 11.845 3.623 ( -1.954 0.000 2.721) 3.350 3.684 ( -0.594 0.000 -1.556) 1.665 3.720 ( 5.540 0.000 3.026) 6.313 3.735 ( 1.488 0.000 -0.018) 1.488 3.815 ( -6.791 0.000 1.478) 6.950 3.858 ( -4.885 0.000 -1.326) 5.062 4.070 ( -3.226 0.000 -4.230) 5.320 4.101 ( 11.775 0.000 -5.662) 13.066 4.229 ( 3.856 0.000 3.140) 4.973 4.282 ( -3.558 0.000 -1.111) 3.727 4.674 ( 0.629 0.000 6.454) 6.484 4.714 ( -1.354 0.000 2.190) 2.575 4.855 ( -2.332 0.000 1.042) 2.554 4.908 ( 1.045 0.000 -3.255) 3.419 5.079 ( 5.697 0.000 4.433) 7.218 5.207 ( -5.246 0.000 -1.397) 5.429 5.229 ( 2.942 0.000 3.910) 4.893 5.431 ( -3.756 0.000 -9.663) 10.367 5.770 ( -3.302 0.000 4.281) 5.407 5.819 ( 3.233 0.000 -0.490) 3.270 6.660 ( -2.261 0.000 6.856) 7.219 6.689 ( -0.790 0.000 4.975) 5.037 6.733 ( 0.990 0.000 1.175) 1.536 6.795 ( 3.374 0.000 -5.355) 6.329 7.509 ( -5.117 0.000 9.439) 10.737 7.531 ( -5.326 0.000 -0.218) 5.331 7.590 ( 9.036 0.000 -0.497) 9.049 7.765 ( 2.388 0.000 -8.533) 8.861 8.206 ( 0.640 0.000 0.059) 0.642 8.211 ( -1.855 0.000 -0.288) 1.877 8.361 ( -12.466 0.000 1.044) 12.510 8.392 ( 8.712 0.000 1.833) 8.903 8.459 ( -0.207 0.000 -3.458) 3.465 8.516 ( 2.732 0.000 -4.581) 5.334 8.596 ( 10.583 0.000 -0.510) 10.595 8.624 ( -9.447 0.000 -2.432) 9.755 8.715 ( -4.113 0.000 2.255) 4.691 8.726 ( 6.441 0.000 1.347) 6.580 9.119 ( 0.478 0.000 10.659) 10.670 9.203 ( -3.471 0.000 5.098) 6.167 9.393 ( -6.069 0.000 1.720) 6.308 9.518 ( -1.097 0.000 -9.014) 9.080 9.520 ( 0.063 0.000 -2.353) 2.353 9.561 ( 1.839 0.000 -7.636) 7.854 9.794 ( 5.816 0.000 8.486) 10.287 9.884 ( -3.746 0.000 1.686) 4.108 10.020 ( 1.332 0.000 4.334) 4.534 10.085 ( -1.764 0.000 1.473) 2.298 10.256 ( 8.103 0.000 1.918) 8.327 10.258 ( -3.398 0.000 -3.866) 5.147 10.275 ( 8.227 0.000 -3.431) 8.914 10.372 ( -12.503 0.000 -9.471) 15.686 10.957 ( 8.837 0.000 2.163) 9.098 11.000 ( -9.023 0.000 -2.560) 9.380 11.734 ( -0.419 0.000 11.043) 11.051 11.751 ( 0.744 0.000 11.296) 11.321 11.921 ( -2.583 0.000 11.629) 11.913 12.030 ( 1.782 0.000 1.402) 2.267 12.081 ( -0.801 0.000 -12.561) 12.587 12.135 ( 5.868 0.000 -3.319) 6.742 12.295 ( 1.869 0.000 -10.166) 10.336 12.491 ( -5.356 0.000 -13.438) 14.466 12.946 ( 1.916 0.000 12.721) 12.865 13.188 ( 1.081 0.000 -9.687) 9.747 13.654 ( -8.024 0.000 5.509) 9.733 13.789 ( 8.724 0.000 -6.579) 10.927 13.862 ( 4.106 0.000 6.000) 7.270 14.004 ( 0.668 0.000 -7.016) 7.048 14.237 ( 1.770 0.000 6.800) 7.026 14.337 ( -4.554 0.000 -3.205) 5.569 14.728 ( -0.340 0.000 -0.419) 0.540 14.755 ( -2.565 0.000 -3.007) 3.953 15.200 ( 6.884 0.000 6.980) 9.803 15.316 ( -4.333 0.000 -4.232) 6.057 15.607 ( -5.619 0.000 9.282) 10.851 15.809 ( 4.430 0.000 -9.752) 10.711 17.705 ( -2.139 0.000 12.770) 12.948 17.928 ( 1.665 0.000 -8.591) 8.750 18.114 ( 1.496 0.000 7.323) 7.474 18.267 ( -1.538 0.000 -6.752) 6.925 19.415 ( -2.172 0.000 6.010) 6.391 19.567 ( 2.728 0.000 -8.799) 9.212 20.370 ( -6.276 0.000 7.293) 9.622 20.501 ( 10.661 0.000 -5.279) 11.897 21.837 ( -1.463 0.000 0.608) 1.584 21.851 ( 1.652 0.000 -0.752) 1.815 22.227 ( -0.667 0.000 2.441) 2.530 22.275 ( 0.645 0.000 -2.131) 2.226 23.384 ( 6.297 0.000 0.472) 6.315 23.389 ( -9.783 0.000 0.018) 9.783 23.864 ( -2.079 0.000 1.059) 2.333 23.897 ( 2.002 0.000 -2.095) 2.898 ======================= Grid point 127 (57/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 4.933 0.000 25.389) 25.864 1.271 ( 15.572 0.000 22.657) 27.492 1.718 ( 6.627 0.000 -21.064) 22.082 1.969 ( -0.900 0.000 -27.505) 27.520 2.363 ( 22.956 0.000 30.206) 37.939 2.492 ( -2.030 0.000 -5.737) 6.085 2.597 ( 0.302 0.000 0.477) 0.564 2.836 ( 7.096 0.000 -5.422) 8.930 2.925 ( -7.707 0.000 1.839) 7.923 3.076 ( -0.734 0.000 0.781) 1.072 3.113 ( -2.171 0.000 11.951) 12.146 3.202 ( 3.379 0.000 -1.281) 3.613 3.244 ( 1.926 0.000 -0.980) 2.162 3.367 ( 4.889 0.000 -10.791) 11.847 3.401 ( 3.425 0.000 -1.967) 3.950 3.448 ( 2.377 0.000 -6.801) 7.205 3.585 ( -2.100 0.000 4.287) 4.774 3.607 ( -6.441 0.000 1.260) 6.563 3.639 ( -7.094 0.000 -1.534) 7.258 3.706 ( 0.096 0.000 -4.604) 4.605 3.871 ( 3.398 0.000 -0.587) 3.448 3.884 ( 8.634 0.000 6.772) 10.973 4.041 ( -0.240 0.000 -7.373) 7.377 4.231 ( 0.850 0.000 -1.892) 2.074 4.365 ( 8.551 0.000 1.639) 8.707 4.391 ( 13.830 0.000 -6.253) 15.177 4.657 ( -4.333 0.000 4.971) 6.594 4.685 ( 0.326 0.000 4.330) 4.342 4.797 ( -2.752 0.000 -0.260) 2.765 4.895 ( -2.020 0.000 -1.502) 2.518 5.070 ( -7.657 0.000 -4.442) 8.852 5.124 ( -1.978 0.000 2.696) 3.344 5.267 ( 0.655 0.000 9.327) 9.350 5.356 ( -3.006 0.000 -6.632) 7.282 5.631 ( -11.053 0.000 4.419) 11.903 5.814 ( -3.670 0.000 -2.270) 4.315 6.578 ( -5.620 0.000 4.294) 7.073 6.628 ( -5.987 0.000 3.909) 7.150 6.728 ( -1.082 0.000 1.401) 1.770 6.771 ( -3.505 0.000 -0.671) 3.569 7.407 ( -3.956 0.000 0.022) 3.956 7.432 ( -2.524 0.000 6.119) 6.619 7.767 ( 8.516 0.000 2.711) 8.937 7.830 ( 1.354 0.000 -10.513) 10.599 8.058 ( -10.806 0.000 3.135) 11.252 8.142 ( -6.431 0.000 2.133) 6.775 8.208 ( -2.204 0.000 1.704) 2.786 8.366 ( -5.457 0.000 -0.430) 5.474 8.411 ( -9.150 0.000 -4.769) 10.318 8.599 ( 4.470 0.000 -7.577) 8.797 8.610 ( 1.135 0.000 -2.417) 2.671 8.744 ( 11.322 0.000 0.711) 11.345 8.767 ( 3.750 0.000 -1.278) 3.961 8.872 ( 9.207 0.000 0.912) 9.252 9.145 ( -2.101 0.000 3.908) 4.437 9.177 ( 4.074 0.000 12.759) 13.394 9.267 ( -6.416 0.000 5.566) 8.494 9.519 ( 0.326 0.000 2.086) 2.111 9.528 ( 0.957 0.000 -5.696) 5.776 9.596 ( 1.949 0.000 -5.374) 5.716 9.829 ( -1.695 0.000 -1.058) 1.998 9.904 ( 5.040 0.000 4.736) 6.916 10.102 ( 6.971 0.000 6.019) 9.210 10.126 ( 5.043 0.000 3.661) 6.232 10.170 ( -2.883 0.000 -10.473) 10.863 10.245 ( -2.128 0.000 -6.561) 6.897 10.280 ( 0.514 0.000 -0.492) 0.711 10.595 ( 17.441 0.000 0.551) 17.450 10.877 ( -3.569 0.000 -0.901) 3.680 11.159 ( 9.286 0.000 1.143) 9.356 11.693 ( -4.704 0.000 5.247) 7.047 11.709 ( -4.517 0.000 10.339) 11.283 11.859 ( -0.306 0.000 10.744) 10.749 12.062 ( 2.226 0.000 -8.337) 8.629 12.145 ( 4.267 0.000 -6.997) 8.196 12.285 ( 4.553 0.000 10.248) 11.214 12.393 ( -3.604 0.000 -9.339) 10.010 12.423 ( 12.936 0.000 -19.410) 23.325 12.977 ( 1.737 0.000 8.233) 8.415 13.131 ( -4.766 0.000 -10.139) 11.203 13.661 ( 5.967 0.000 1.876) 6.255 13.917 ( -2.505 0.000 -7.940) 8.326 13.969 ( 4.282 0.000 1.731) 4.619 14.041 ( 7.028 0.000 -1.529) 7.193 14.278 ( 3.851 0.000 6.535) 7.585 14.364 ( 10.252 0.000 -5.687) 11.724 14.630 ( -6.255 0.000 4.260) 7.568 14.640 ( -8.598 0.000 -3.759) 9.384 15.252 ( -4.043 0.000 11.401) 12.096 15.270 ( -1.773 0.000 -7.531) 7.736 15.568 ( 2.851 0.000 3.523) 4.532 15.839 ( -1.118 0.000 -5.660) 5.770 17.659 ( -3.011 0.000 12.832) 13.180 17.952 ( 1.102 0.000 -7.807) 7.885 18.070 ( -5.279 0.000 10.005) 11.313 18.178 ( -7.146 0.000 -7.712) 10.514 19.332 ( -6.491 0.000 5.359) 8.417 19.573 ( -1.668 0.000 -8.609) 8.769 20.021 ( -24.462 0.000 -1.937) 24.538 20.133 ( -31.911 0.000 10.684) 33.652 21.854 ( 1.223 0.000 1.199) 1.713 22.011 ( 7.194 0.000 -4.965) 8.740 22.185 ( -4.495 0.000 2.375) 5.084 22.286 ( 0.341 0.000 -0.858) 0.923 23.615 ( 25.367 0.000 -12.492) 28.276 23.650 ( 17.624 0.000 6.920) 18.934 23.893 ( 5.224 0.000 1.302) 5.384 24.010 ( 9.571 0.000 -2.808) 9.975 ======================= Grid point 128 (58/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 18.526 0.000 14.546) 23.554 1.633 ( 19.697 0.000 15.032) 24.778 1.896 ( 11.223 0.000 -14.567) 18.389 1.948 ( 1.233 0.000 -24.715) 24.746 2.442 ( -4.576 0.000 -0.576) 4.612 2.471 ( -13.243 0.000 -2.732) 13.522 2.583 ( -1.286 0.000 -0.988) 1.622 2.759 ( -12.815 0.000 0.926) 12.848 3.071 ( 2.217 0.000 4.556) 5.067 3.095 ( 21.316 0.000 20.812) 29.791 3.145 ( 1.408 0.000 7.335) 7.469 3.257 ( 2.084 0.000 -3.418) 4.003 3.363 ( 8.762 0.000 -3.619) 9.480 3.394 ( -3.245 0.000 -6.666) 7.414 3.457 ( 2.014 0.000 -0.520) 2.080 3.517 ( 1.563 0.000 -1.251) 2.002 3.546 ( -0.802 0.000 -0.189) 0.824 3.558 ( 2.930 0.000 -3.923) 4.896 3.616 ( 8.349 0.000 11.064) 13.861 3.747 ( 3.574 0.000 -3.634) 5.097 3.959 ( 5.216 0.000 -2.933) 5.984 4.060 ( 2.720 0.000 -4.133) 4.947 4.083 ( 12.124 0.000 2.681) 12.416 4.232 ( -0.291 0.000 -2.228) 2.247 4.499 ( 4.109 0.000 -3.979) 5.720 4.549 ( -4.421 0.000 3.126) 5.415 4.637 ( 7.021 0.000 -6.315) 9.443 4.683 ( -1.160 0.000 0.224) 1.182 4.793 ( 3.798 0.000 2.536) 4.566 4.851 ( -1.523 0.000 -0.254) 1.544 4.931 ( -6.438 0.000 -2.402) 6.872 5.032 ( -5.875 0.000 2.316) 6.315 5.272 ( -0.159 0.000 9.874) 9.875 5.307 ( -2.830 0.000 -3.222) 4.288 5.352 ( -17.179 0.000 5.011) 17.895 5.687 ( -8.613 0.000 -7.024) 11.114 6.483 ( -3.669 0.000 1.663) 4.029 6.497 ( -6.255 0.000 4.088) 7.472 6.704 ( -1.395 0.000 1.778) 2.260 6.715 ( -2.288 0.000 2.629) 3.485 7.399 ( 2.669 0.000 -1.950) 3.306 7.410 ( -0.171 0.000 4.634) 4.637 7.789 ( -5.378 0.000 -10.463) 11.764 7.877 ( -0.403 0.000 3.751) 3.772 7.912 ( -3.851 0.000 6.704) 7.732 7.980 ( -7.909 0.000 -0.245) 7.913 8.190 ( 0.081 0.000 -0.462) 0.469 8.261 ( -3.796 0.000 -5.438) 6.631 8.295 ( -1.270 0.000 1.539) 1.995 8.586 ( -4.591 0.000 -8.889) 10.005 8.609 ( -1.150 0.000 -2.886) 3.107 8.826 ( 0.213 0.000 1.236) 1.254 8.960 ( 9.639 0.000 -0.997) 9.691 9.030 ( 6.750 0.000 -0.569) 6.773 9.122 ( -4.161 0.000 3.074) 5.174 9.126 ( -0.216 0.000 3.474) 3.481 9.301 ( 4.849 0.000 12.984) 13.859 9.516 ( -0.910 0.000 6.905) 6.964 9.535 ( -0.069 0.000 -5.050) 5.050 9.630 ( 1.366 0.000 -2.464) 2.817 9.826 ( 1.428 0.000 -2.369) 2.766 10.005 ( 4.324 0.000 1.340) 4.527 10.155 ( 0.705 0.000 -5.642) 5.686 10.238 ( 5.371 0.000 2.206) 5.807 10.243 ( 4.551 0.000 5.627) 7.237 10.284 ( 8.120 0.000 -7.816) 11.270 10.289 ( 2.197 0.000 1.306) 2.556 10.831 ( -2.211 0.000 -0.835) 2.364 10.915 ( 15.080 0.000 2.065) 15.221 11.268 ( 2.238 0.000 2.678) 3.490 11.587 ( -8.319 0.000 7.660) 11.308 11.588 ( -5.651 0.000 -0.499) 5.672 11.913 ( 4.732 0.000 11.535) 12.468 12.132 ( 4.933 0.000 -12.763) 13.683 12.149 ( -3.918 0.000 -5.446) 6.709 12.339 ( 1.718 0.000 2.191) 2.784 12.418 ( 6.489 0.000 0.733) 6.531 12.650 ( 8.840 0.000 -9.475) 12.959 13.028 ( 3.138 0.000 4.503) 5.489 13.066 ( -1.633 0.000 -9.877) 10.011 13.717 ( -3.148 0.000 6.837) 7.527 13.799 ( -6.380 0.000 -5.740) 8.582 14.052 ( 8.114 0.000 -6.849) 10.618 14.163 ( 4.278 0.000 4.011) 5.864 14.289 ( -4.707 0.000 -0.297) 4.716 14.450 ( -9.912 0.000 -6.402) 11.800 14.692 ( 20.339 0.000 -8.678) 22.113 14.717 ( 15.990 0.000 9.372) 18.534 15.112 ( -8.288 0.000 12.852) 15.292 15.198 ( -5.509 0.000 -7.841) 9.583 15.634 ( 1.418 0.000 -1.349) 1.957 15.756 ( -7.722 0.000 -1.495) 7.866 17.599 ( -3.184 0.000 13.287) 13.663 17.961 ( -5.340 0.000 13.160) 14.202 17.974 ( 1.594 0.000 -6.663) 6.851 18.017 ( -8.467 0.000 -9.321) 12.593 19.184 ( -7.865 0.000 5.784) 9.762 19.505 ( -6.513 0.000 -8.152) 10.434 19.602 ( -14.698 0.000 -8.164) 16.813 19.645 ( -17.698 0.000 14.535) 22.902 21.868 ( 0.759 0.000 -0.120) 0.769 22.031 ( -4.653 0.000 1.134) 4.789 22.131 ( 0.564 0.000 -1.954) 2.034 22.263 ( -2.876 0.000 0.664) 2.952 23.928 ( 9.301 0.000 7.981) 12.256 24.023 ( 14.590 0.000 -14.032) 20.243 24.070 ( 11.815 0.000 6.358) 13.417 24.249 ( 13.621 0.000 -9.478) 16.594 ======================= Grid point 129 (59/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 19.276 0.000 4.200) 19.728 1.964 ( 11.797 0.000 -0.487) 11.807 2.040 ( -5.085 0.000 -0.887) 5.161 2.042 ( 8.602 0.000 -8.056) 11.785 2.225 ( -0.711 0.000 -6.472) 6.511 2.296 ( -9.580 0.000 2.354) 9.865 2.495 ( -12.499 0.000 -3.070) 12.871 2.510 ( -6.059 0.000 -4.451) 7.518 3.094 ( 0.263 0.000 5.975) 5.981 3.164 ( 0.585 0.000 6.506) 6.532 3.258 ( -1.794 0.000 -7.409) 7.624 3.303 ( 0.918 0.000 -3.885) 3.992 3.414 ( 4.188 0.000 8.570) 9.539 3.479 ( -2.103 0.000 -0.084) 2.105 3.485 ( 2.168 0.000 -1.333) 2.545 3.531 ( 7.616 0.000 -6.084) 9.747 3.596 ( -0.676 0.000 2.129) 2.233 3.622 ( 4.406 0.000 -2.577) 5.104 3.815 ( 3.067 0.000 2.340) 3.858 3.893 ( 14.824 0.000 15.576) 21.503 3.997 ( -0.939 0.000 -2.977) 3.122 4.143 ( 4.950 0.000 2.530) 5.560 4.257 ( -1.258 0.000 0.267) 1.286 4.308 ( 6.851 0.000 1.659) 7.049 4.496 ( -2.632 0.000 -12.208) 12.488 4.508 ( 6.234 0.000 3.653) 7.225 4.633 ( -8.064 0.000 -6.297) 10.232 4.654 ( -0.722 0.000 -0.558) 0.913 4.821 ( -5.075 0.000 2.754) 5.774 4.865 ( 1.493 0.000 -3.117) 3.456 4.901 ( 1.715 0.000 10.103) 10.248 4.936 ( -2.440 0.000 5.212) 5.755 5.072 ( -4.472 0.000 -2.177) 4.974 5.223 ( -5.881 0.000 -6.180) 8.531 5.286 ( 1.174 0.000 8.315) 8.398 5.532 ( -5.452 0.000 -10.660) 11.973 6.414 ( -2.372 0.000 4.175) 4.802 6.444 ( -0.514 0.000 0.143) 0.533 6.679 ( -1.061 0.000 2.335) 2.565 6.682 ( -1.236 0.000 3.008) 3.252 7.424 ( 1.403 0.000 6.044) 6.205 7.497 ( 7.298 0.000 -1.974) 7.560 7.651 ( -7.372 0.000 -4.276) 8.522 7.701 ( -10.949 0.000 -1.526) 11.054 7.897 ( 1.354 0.000 1.660) 2.142 7.947 ( 0.510 0.000 -0.498) 0.713 8.202 ( 0.640 0.000 -2.559) 2.638 8.212 ( -1.594 0.000 -1.387) 2.113 8.351 ( 4.278 0.000 1.839) 4.657 8.501 ( -2.512 0.000 -6.724) 7.178 8.592 ( 1.442 0.000 -2.481) 2.870 8.710 ( -10.025 0.000 0.673) 10.047 9.082 ( -0.487 0.000 4.921) 4.945 9.102 ( 3.009 0.000 1.765) 3.489 9.130 ( 2.110 0.000 -1.125) 2.392 9.147 ( 3.187 0.000 -1.858) 3.690 9.371 ( 2.375 0.000 9.210) 9.512 9.512 ( 0.520 0.000 6.473) 6.494 9.526 ( -0.525 0.000 -3.664) 3.701 9.643 ( 0.130 0.000 -3.154) 3.157 9.877 ( 3.647 0.000 -1.026) 3.788 9.989 ( -4.520 0.000 -1.401) 4.732 10.225 ( 5.012 0.000 -2.680) 5.684 10.229 ( -2.980 0.000 4.015) 5.000 10.342 ( 4.317 0.000 3.384) 5.485 10.383 ( 3.572 0.000 1.975) 4.082 10.505 ( 13.338 0.000 -3.838) 13.879 10.725 ( -9.500 0.000 2.361) 9.789 11.191 ( 12.932 0.000 -1.700) 13.043 11.284 ( 0.370 0.000 3.407) 3.427 11.409 ( -9.470 0.000 4.431) 10.455 11.483 ( -4.271 0.000 -5.298) 6.805 12.013 ( 1.958 0.000 9.985) 10.175 12.073 ( -0.010 0.000 0.776) 0.776 12.196 ( 0.945 0.000 -12.680) 12.716 12.350 ( -1.197 0.000 -7.967) 8.056 12.562 ( 6.722 0.000 6.672) 9.471 12.761 ( 3.421 0.000 -3.339) 4.780 13.036 ( -1.555 0.000 -3.314) 3.661 13.074 ( 0.484 0.000 2.051) 2.108 13.630 ( -3.349 0.000 6.584) 7.387 13.725 ( -0.321 0.000 -5.369) 5.378 14.146 ( -1.185 0.000 -4.580) 4.731 14.151 ( -7.112 0.000 7.506) 10.340 14.303 ( 7.528 0.000 -3.540) 8.319 14.328 ( -0.877 0.000 -7.273) 7.326 14.904 ( -2.691 0.000 3.212) 4.190 14.991 ( 2.306 0.000 -5.439) 5.907 15.149 ( 15.593 0.000 0.955) 15.622 15.160 ( 9.769 0.000 4.102) 10.595 15.540 ( -13.626 0.000 0.672) 13.643 15.584 ( -6.075 0.000 -5.060) 7.906 17.564 ( -0.222 0.000 14.255) 14.256 17.877 ( -5.137 0.000 -10.123) 11.351 17.883 ( -3.350 0.000 13.332) 13.747 18.016 ( 2.973 0.000 -5.939) 6.642 19.078 ( -2.630 0.000 6.891) 7.376 19.307 ( -7.941 0.000 -9.103) 12.080 19.420 ( -7.035 0.000 10.417) 12.570 19.517 ( 1.053 0.000 -7.458) 7.532 21.901 ( 2.892 0.000 -1.521) 3.268 21.934 ( -4.375 0.000 1.952) 4.791 22.159 ( 2.164 0.000 -1.904) 2.882 22.189 ( -4.339 0.000 1.550) 4.608 24.039 ( 2.073 0.000 7.155) 7.450 24.200 ( 4.649 0.000 -10.418) 11.408 24.245 ( 4.799 0.000 8.769) 9.997 24.448 ( 6.493 0.000 -12.021) 13.663 ======================= Grid point 130 (60/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -17.352 0.000 8.487) 19.316 1.942 ( -16.975 0.000 5.980) 17.998 2.073 ( -4.764 0.000 -8.909) 10.103 2.195 ( -0.051 0.000 -10.360) 10.360 2.254 ( 6.769 0.000 -7.084) 9.798 2.365 ( 5.755 0.000 -3.921) 6.963 2.437 ( 7.493 0.000 1.308) 7.606 2.449 ( 9.876 0.000 0.788) 9.908 3.099 ( 0.364 0.000 6.859) 6.869 3.177 ( 0.660 0.000 5.791) 5.829 3.197 ( -4.362 0.000 -0.913) 4.457 3.333 ( 2.365 0.000 -7.392) 7.761 3.422 ( -1.770 0.000 -0.125) 1.774 3.450 ( -2.569 0.000 0.749) 2.675 3.519 ( -2.190 0.000 1.569) 2.695 3.549 ( 0.887 0.000 -3.739) 3.843 3.621 ( 0.043 0.000 -4.990) 4.991 3.674 ( 0.893 0.000 -4.018) 4.116 3.782 ( -18.165 0.000 8.296) 19.970 3.893 ( 5.386 0.000 3.398) 6.368 4.077 ( -4.494 0.000 6.506) 7.907 4.150 ( -6.651 0.000 0.611) 6.679 4.251 ( 8.214 0.000 4.563) 9.396 4.280 ( -7.399 0.000 -7.736) 10.705 4.388 ( -10.595 0.000 -0.752) 10.621 4.452 ( -2.629 0.000 6.191) 6.726 4.634 ( -0.680 0.000 -4.945) 4.992 4.654 ( -1.746 0.000 1.117) 2.073 4.810 ( -1.522 0.000 3.740) 4.038 4.833 ( 8.189 0.000 -1.455) 8.317 4.974 ( 8.181 0.000 5.826) 10.044 5.006 ( -3.398 0.000 0.481) 3.432 5.089 ( 1.771 0.000 3.218) 3.673 5.181 ( 10.216 0.000 -12.045) 15.794 5.357 ( 6.799 0.000 5.619) 8.821 5.488 ( 0.095 0.000 -10.668) 10.668 6.405 ( 1.251 0.000 4.269) 4.449 6.461 ( 2.369 0.000 -0.603) 2.445 6.670 ( 0.126 0.000 3.614) 3.616 6.671 ( 0.056 0.000 3.475) 3.475 7.438 ( -1.597 0.000 6.176) 6.379 7.521 ( -4.736 0.000 -2.095) 5.178 7.558 ( -2.182 0.000 -0.348) 2.210 7.690 ( 11.805 0.000 -0.287) 11.809 7.945 ( 2.920 0.000 -1.234) 3.171 7.976 ( 2.099 0.000 -3.460) 4.047 8.196 ( 0.509 0.000 -0.140) 0.528 8.202 ( -0.228 0.000 -3.164) 3.172 8.403 ( 2.025 0.000 0.414) 2.067 8.467 ( -6.005 0.000 -5.766) 8.325 8.550 ( -1.035 0.000 0.994) 1.434 8.700 ( 8.125 0.000 1.164) 8.208 9.037 ( -4.319 0.000 3.985) 5.876 9.072 ( -4.004 0.000 4.879) 6.311 9.180 ( 0.758 0.000 -1.993) 2.132 9.185 ( 0.853 0.000 -4.743) 4.819 9.409 ( 1.302 0.000 6.705) 6.831 9.525 ( 0.407 0.000 7.197) 7.209 9.532 ( 1.816 0.000 -4.603) 4.948 9.639 ( -0.035 0.000 -4.422) 4.422 9.884 ( -5.858 0.000 -1.588) 6.069 9.955 ( 3.940 0.000 1.634) 4.265 10.154 ( -4.839 0.000 3.921) 6.228 10.300 ( 2.242 0.000 -2.070) 3.052 10.373 ( -6.909 0.000 -0.766) 6.952 10.380 ( -0.545 0.000 1.905) 1.981 10.478 ( -12.915 0.000 1.073) 12.960 10.713 ( 6.370 0.000 1.602) 6.568 11.222 ( -7.367 0.000 -3.716) 8.251 11.338 ( 1.192 0.000 -1.889) 2.233 11.353 ( 5.249 0.000 6.487) 8.344 11.515 ( 8.566 0.000 -4.960) 9.899 11.952 ( -4.747 0.000 9.480) 10.602 12.159 ( -4.206 0.000 -4.361) 6.059 12.174 ( 5.859 0.000 3.281) 6.715 12.277 ( -5.103 0.000 -13.115) 14.073 12.656 ( 3.057 0.000 7.519) 8.117 12.745 ( -5.827 0.000 -11.275) 12.692 13.020 ( -6.258 0.000 1.086) 6.351 13.045 ( 2.883 0.000 3.015) 4.172 13.620 ( 1.864 0.000 3.306) 3.795 13.791 ( 6.613 0.000 -6.856) 9.526 13.980 ( -9.182 0.000 7.492) 11.851 14.158 ( 2.509 0.000 5.037) 5.628 14.330 ( 0.316 0.000 -3.327) 3.342 14.355 ( -2.003 0.000 -7.751) 8.006 14.879 ( 1.064 0.000 4.524) 4.647 14.922 ( -11.168 0.000 0.301) 11.172 15.244 ( -1.021 0.000 -6.722) 6.799 15.266 ( -9.227 0.000 -4.853) 10.425 15.481 ( 9.144 0.000 4.455) 10.172 15.561 ( 8.428 0.000 -1.733) 8.605 17.613 ( 5.110 0.000 15.044) 15.888 17.821 ( -0.542 0.000 -10.098) 10.113 17.831 ( -2.448 0.000 12.043) 12.289 18.083 ( 4.025 0.000 -6.084) 7.295 19.100 ( 5.035 0.000 10.092) 11.278 19.239 ( 1.012 0.000 -8.293) 8.355 19.356 ( -0.192 0.000 7.835) 7.838 19.609 ( 8.847 0.000 -7.416) 11.544 21.877 ( -1.505 0.000 0.827) 1.717 21.977 ( 4.584 0.000 -2.099) 5.042 22.116 ( -2.793 0.000 2.160) 3.530 22.213 ( 3.362 0.000 -0.813) 3.459 23.997 ( -6.884 0.000 8.307) 10.789 24.201 ( -4.035 0.000 -8.317) 9.244 24.252 ( -3.913 0.000 7.063) 8.075 24.487 ( -2.411 0.000 -14.010) 14.216 ======================= Grid point 131 (61/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -11.000 0.000 20.400) 23.177 1.572 ( -20.084 0.000 12.705) 23.765 1.912 ( -7.342 0.000 -18.764) 20.149 2.008 ( -12.762 0.000 -19.292) 23.131 2.433 ( -0.060 0.000 0.361) 0.366 2.464 ( 11.795 0.000 -1.069) 11.843 2.573 ( 5.201 0.000 -1.533) 5.422 2.745 ( 14.451 0.000 2.031) 14.593 3.001 ( -19.773 0.000 14.523) 24.534 3.109 ( -0.107 0.000 6.254) 6.255 3.184 ( -0.642 0.000 7.413) 7.440 3.299 ( -8.865 0.000 6.080) 10.749 3.366 ( -3.898 0.000 -3.927) 5.533 3.394 ( 1.673 0.000 -10.775) 10.904 3.455 ( -2.273 0.000 -0.112) 2.276 3.505 ( -0.537 0.000 1.160) 1.278 3.546 ( -4.469 0.000 -3.632) 5.759 3.610 ( 1.384 0.000 -6.528) 6.673 3.716 ( 1.342 0.000 -1.749) 2.205 3.884 ( -18.269 0.000 -15.878) 24.205 3.955 ( -1.272 0.000 -3.082) 3.334 3.958 ( -6.183 0.000 2.786) 6.782 4.144 ( -0.921 0.000 6.033) 6.102 4.188 ( -8.043 0.000 -4.487) 9.210 4.409 ( -4.717 0.000 9.520) 10.625 4.424 ( 3.421 0.000 4.464) 5.625 4.646 ( 2.150 0.000 3.176) 3.835 4.673 ( 4.019 0.000 -2.354) 4.658 4.793 ( -2.379 0.000 3.457) 4.197 4.881 ( -0.866 0.000 -2.749) 2.882 4.905 ( -1.177 0.000 -2.520) 2.781 5.060 ( 2.819 0.000 0.359) 2.841 5.219 ( 6.403 0.000 5.259) 8.286 5.458 ( 14.338 0.000 -4.953) 15.169 5.495 ( 0.592 0.000 -10.690) 10.706 5.553 ( 12.147 0.000 5.382) 13.286 6.468 ( 5.520 0.000 3.972) 6.801 6.534 ( 5.058 0.000 0.198) 5.062 6.683 ( 0.965 0.000 4.024) 4.138 6.684 ( 1.043 0.000 4.754) 4.867 7.399 ( -0.600 0.000 0.464) 0.759 7.469 ( -0.367 0.000 -0.910) 0.981 7.578 ( 1.865 0.000 6.572) 6.832 7.938 ( 7.208 0.000 -0.581) 7.231 7.984 ( 6.151 0.000 -0.948) 6.224 8.011 ( 2.165 0.000 -2.286) 3.148 8.204 ( 0.338 0.000 -2.369) 2.393 8.250 ( 4.322 0.000 -5.095) 6.681 8.351 ( -1.740 0.000 -2.514) 3.057 8.451 ( 2.590 0.000 2.893) 3.883 8.593 ( 2.082 0.000 -1.612) 2.633 8.822 ( 2.415 0.000 1.415) 2.800 8.923 ( -7.340 0.000 2.082) 7.629 8.953 ( -7.895 0.000 5.837) 9.818 9.181 ( -0.716 0.000 -1.272) 1.460 9.182 ( 0.684 0.000 -2.731) 2.816 9.427 ( 0.680 0.000 3.550) 3.614 9.538 ( 0.935 0.000 7.831) 7.886 9.555 ( -0.622 0.000 -9.511) 9.531 9.696 ( 6.888 0.000 -5.534) 8.836 9.773 ( -5.288 0.000 0.876) 5.360 9.953 ( -9.857 0.000 4.488) 10.831 10.048 ( -4.346 0.000 0.756) 4.411 10.153 ( -5.997 0.000 3.075) 6.740 10.286 ( -4.001 0.000 1.795) 4.386 10.332 ( -5.675 0.000 -2.023) 6.025 10.351 ( -1.557 0.000 -4.000) 4.293 10.735 ( -3.144 0.000 2.753) 4.179 11.086 ( -7.313 0.000 -8.748) 11.402 11.320 ( -3.067 0.000 -2.619) 4.033 11.502 ( 8.677 0.000 6.625) 10.917 11.677 ( 6.500 0.000 0.110) 6.501 11.865 ( -3.546 0.000 11.495) 12.029 12.058 ( -4.995 0.000 5.611) 7.512 12.193 ( -2.923 0.000 -12.708) 13.040 12.252 ( 1.408 0.000 -0.071) 1.410 12.557 ( -12.226 0.000 -15.583) 19.807 12.699 ( 0.263 0.000 -0.670) 0.720 12.868 ( -6.663 0.000 5.143) 8.417 13.101 ( 2.120 0.000 -2.202) 3.057 13.686 ( 4.347 0.000 3.815) 5.784 13.805 ( -6.818 0.000 0.560) 6.841 13.938 ( 5.179 0.000 0.846) 5.248 14.149 ( -4.071 0.000 5.067) 6.499 14.362 ( 3.701 0.000 -5.629) 6.737 14.373 ( 1.966 0.000 0.896) 2.161 14.567 ( -16.632 0.000 3.180) 16.934 14.883 ( -4.531 0.000 -3.166) 5.528 15.063 ( -4.980 0.000 1.753) 5.280 15.367 ( 8.732 0.000 -10.878) 13.949 15.604 ( 3.195 0.000 0.932) 3.328 15.701 ( 3.838 0.000 3.551) 5.228 17.744 ( 3.989 0.000 14.832) 15.359 17.817 ( 4.311 0.000 10.660) 11.499 17.840 ( 2.362 0.000 -9.617) 9.903 18.165 ( 4.586 0.000 -6.666) 8.091 19.297 ( 14.124 0.000 13.582) 19.595 19.325 ( 7.268 0.000 -7.811) 10.670 19.405 ( 6.488 0.000 8.837) 10.963 19.856 ( 16.704 0.000 -5.941) 17.729 21.875 ( 1.117 0.000 -0.786) 1.366 22.014 ( -2.175 0.000 2.380) 3.224 22.131 ( 4.972 0.000 -1.628) 5.232 22.271 ( 2.035 0.000 -0.089) 2.037 23.779 ( -15.427 0.000 8.235) 17.487 24.070 ( -8.297 0.000 -6.080) 10.286 24.124 ( -8.638 0.000 4.286) 9.643 24.320 ( -15.303 0.000 -17.606) 23.328 ======================= Grid point 132 (62/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -14.495 0.000 21.140) 25.632 1.344 ( -0.586 0.000 30.052) 30.057 1.775 ( -9.688 0.000 -23.126) 25.073 1.841 ( 1.174 0.000 -24.516) 24.544 2.237 ( -21.066 0.000 23.088) 31.254 2.618 ( 3.377 0.000 -1.625) 3.747 2.641 ( -6.975 0.000 7.630) 10.338 2.668 ( 4.177 0.000 -4.156) 5.892 3.011 ( 9.263 0.000 6.274) 11.188 3.058 ( -5.397 0.000 -0.763) 5.451 3.157 ( -1.370 0.000 9.302) 9.402 3.201 ( -3.926 0.000 0.368) 3.943 3.305 ( -1.258 0.000 -3.791) 3.994 3.380 ( -6.978 0.000 -14.670) 16.245 3.412 ( 0.837 0.000 -13.655) 13.681 3.440 ( -5.364 0.000 -2.608) 5.965 3.596 ( 6.549 0.000 1.811) 6.795 3.611 ( 2.081 0.000 0.666) 2.185 3.698 ( -0.469 0.000 -5.840) 5.859 3.703 ( -2.253 0.000 -3.766) 4.389 3.903 ( -2.746 0.000 -1.782) 3.273 3.922 ( 3.002 0.000 3.137) 4.342 4.025 ( -7.818 0.000 -5.344) 9.470 4.147 ( -1.478 0.000 3.149) 3.479 4.268 ( -8.170 0.000 5.550) 9.877 4.390 ( -5.718 0.000 0.405) 5.733 4.674 ( -1.397 0.000 4.991) 5.183 4.702 ( 2.404 0.000 1.870) 3.045 4.845 ( 5.644 0.000 -4.839) 7.435 4.874 ( 0.053 0.000 0.488) 0.491 4.957 ( 5.262 0.000 3.842) 6.515 5.139 ( 4.922 0.000 4.285) 6.526 5.271 ( -0.508 0.000 -1.282) 1.379 5.485 ( -1.378 0.000 -10.615) 10.704 5.694 ( 9.555 0.000 -1.337) 9.648 5.744 ( 6.064 0.000 4.432) 7.511 6.621 ( 9.090 0.000 1.506) 9.214 6.638 ( 4.555 0.000 3.287) 5.617 6.705 ( 1.002 0.000 4.180) 4.299 6.707 ( 1.685 0.000 3.233) 3.646 7.443 ( 5.253 0.000 -0.115) 5.255 7.506 ( 3.913 0.000 -1.046) 4.050 7.587 ( -1.884 0.000 8.178) 8.392 7.854 ( -7.723 0.000 -4.554) 8.966 8.096 ( 7.109 0.000 -0.440) 7.123 8.199 ( 3.063 0.000 -2.111) 3.720 8.287 ( 13.947 0.000 3.805) 14.457 8.307 ( 1.348 0.000 -6.823) 6.955 8.401 ( 4.321 0.000 -2.049) 4.782 8.481 ( -0.075 0.000 2.968) 2.969 8.603 ( -0.123 0.000 -1.328) 1.333 8.758 ( -9.702 0.000 -1.011) 9.755 8.774 ( -4.988 0.000 -0.776) 5.048 8.815 ( -6.951 0.000 4.983) 8.553 9.148 ( -2.570 0.000 3.160) 4.073 9.223 ( 1.896 0.000 3.636) 4.100 9.446 ( 0.915 0.000 -0.719) 1.164 9.537 ( -0.034 0.000 -11.213) 11.213 9.541 ( -1.964 0.000 2.690) 3.331 9.645 ( -11.361 0.000 -9.801) 15.005 9.715 ( 0.688 0.000 7.609) 7.640 9.923 ( 9.813 0.000 2.916) 10.237 9.967 ( -4.338 0.000 4.800) 6.470 10.116 ( -0.636 0.000 2.890) 2.959 10.178 ( -6.357 0.000 0.539) 6.380 10.260 ( -0.997 0.000 -3.206) 3.357 10.312 ( -2.403 0.000 -4.393) 5.007 10.622 ( -9.416 0.000 -2.564) 9.758 10.927 ( -6.477 0.000 -5.535) 8.520 11.194 ( -9.558 0.000 -2.523) 9.886 11.661 ( 7.184 0.000 7.382) 10.301 11.734 ( 0.180 0.000 9.351) 9.352 11.876 ( 3.813 0.000 6.877) 7.863 12.005 ( -0.404 0.000 8.358) 8.368 12.140 ( -3.009 0.000 -7.572) 8.148 12.200 ( -6.721 0.000 -3.461) 7.560 12.338 ( -7.367 0.000 -13.328) 15.229 12.604 ( -6.516 0.000 -13.673) 15.146 12.878 ( 4.296 0.000 13.470) 14.139 13.138 ( 2.562 0.000 -6.275) 6.778 13.716 ( -1.229 0.000 -3.351) 3.569 13.758 ( 2.078 0.000 6.114) 6.458 13.982 ( -16.372 0.000 3.139) 16.670 13.992 ( 0.866 0.000 -0.349) 0.934 14.210 ( -2.092 0.000 9.146) 9.382 14.417 ( -0.764 0.000 -7.479) 7.518 14.625 ( 9.136 0.000 -1.222) 9.217 14.770 ( -2.064 0.000 -7.823) 8.091 15.086 ( 4.010 0.000 9.879) 10.662 15.421 ( -3.854 0.000 -4.336) 5.801 15.690 ( 6.955 0.000 -8.424) 10.924 15.703 ( -3.353 0.000 7.257) 7.994 17.738 ( -1.673 0.000 12.737) 12.847 17.889 ( 2.581 0.000 -9.106) 9.465 17.999 ( 9.489 0.000 9.196) 13.214 18.246 ( 3.401 0.000 -6.725) 7.536 19.416 ( 1.714 0.000 6.559) 6.779 19.472 ( 7.073 0.000 -8.179) 10.813 19.870 ( 37.051 0.000 14.161) 39.666 20.214 ( 17.901 0.000 1.132) 17.937 21.895 ( -0.294 0.000 -2.805) 2.820 21.930 ( -6.076 0.000 2.987) 6.770 22.233 ( 4.328 0.000 -2.134) 4.826 22.268 ( -2.508 0.000 0.754) 2.618 23.470 ( -13.685 0.000 3.274) 14.071 23.852 ( -26.110 0.000 -13.717) 29.494 23.944 ( -8.814 0.000 -4.049) 9.699 23.960 ( -7.466 0.000 2.043) 7.740 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.311 19.766 20.506) 28.483 1.452 ( -6.322 13.728 25.003) 29.216 1.778 ( -0.915 10.832 -20.194) 22.934 1.995 ( 6.291 7.836 -19.907) 22.299 2.125 ( 5.754 11.901 32.784) 35.349 2.587 ( -3.276 0.851 -2.762) 4.368 2.666 ( -4.868 5.582 -4.850) 8.853 2.740 ( 4.678 4.152 -6.819) 9.253 3.002 ( 3.415 -2.510 3.484) 5.486 3.074 ( -3.157 -2.161 4.775) 6.119 3.096 ( -1.001 -2.525 -3.232) 4.222 3.160 ( -0.972 0.203 6.381) 6.458 3.277 ( -0.889 -1.996 -3.517) 4.141 3.304 ( 0.775 -1.974 -0.607) 2.206 3.336 ( -3.205 -0.575 -9.143) 9.705 3.403 ( 0.742 -2.172 -12.335) 12.547 3.568 ( -0.951 -4.741 1.689) 5.122 3.634 ( -0.727 -5.977 -5.095) 7.887 3.639 ( 5.006 -4.401 2.387) 7.080 3.680 ( -3.339 -4.145 -1.968) 5.675 3.842 ( 1.027 1.728 6.226) 6.542 3.898 ( -6.804 1.477 1.114) 7.051 4.041 ( -2.316 -3.254 -3.819) 5.527 4.071 ( 9.657 -3.335 -5.734) 11.716 4.241 ( 2.386 1.133 1.618) 3.098 4.269 ( -1.449 -0.689 -0.053) 1.605 4.671 ( -1.203 0.286 8.842) 8.928 4.818 ( 1.220 8.203 -1.553) 8.437 4.891 ( -1.869 3.882 1.189) 4.469 4.929 ( -0.045 2.285 -2.452) 3.352 5.029 ( 5.220 -4.983 5.071) 8.821 5.175 ( -3.169 -3.659 -6.468) 8.079 5.259 ( 1.444 3.158 7.706) 8.453 5.436 ( -3.451 0.241 -8.242) 8.939 5.777 ( -3.209 0.408 4.927) 5.894 5.838 ( 3.139 1.822 -1.207) 3.825 6.389 ( -0.567 -15.692 7.260) 17.299 6.500 ( 1.230 -15.420 -2.802) 15.721 6.760 ( -0.592 -1.422 6.992) 7.160 6.881 ( 0.331 0.961 -4.507) 4.620 7.486 ( -3.490 -1.721 2.513) 4.632 7.544 ( 1.965 -0.620 -3.092) 3.715 7.665 ( -1.091 8.189 6.768) 10.679 7.831 ( 3.682 4.709 -6.228) 8.633 8.194 ( -0.255 -0.035 3.070) 3.081 8.245 ( 1.698 1.493 -2.110) 3.093 8.368 ( 0.016 1.404 -1.468) 2.031 8.381 ( -0.655 -2.552 -3.112) 4.077 8.466 ( -2.536 2.352 1.076) 3.623 8.498 ( 5.225 -2.515 0.858) 5.862 8.595 ( -3.027 1.358 -0.687) 3.388 8.653 ( 0.762 0.885 -3.219) 3.425 8.744 ( -0.874 2.444 1.841) 3.182 8.765 ( 0.359 3.712 -1.233) 3.928 9.111 ( -3.052 -1.721 9.721) 10.333 9.208 ( 0.896 0.464 5.805) 5.893 9.304 ( -0.725 -5.132 -7.561) 9.167 9.366 ( -1.497 -6.783 -4.957) 8.533 9.562 ( 1.170 -2.755 0.863) 3.115 9.637 ( -2.722 0.070 -4.510) 5.268 9.773 ( 0.264 -0.507 3.326) 3.375 9.832 ( 1.634 -2.994 -1.122) 3.591 9.930 ( 0.489 0.930 8.159) 8.227 10.082 ( -0.926 -2.332 -1.235) 2.796 10.225 ( 7.586 2.953 -1.291) 8.242 10.313 ( -0.026 2.723 -3.048) 4.087 10.467 ( -11.236 12.122 0.898) 16.553 10.538 ( 4.376 10.833 -1.717) 11.809 10.953 ( -4.333 -2.057 -1.081) 4.917 10.972 ( 3.162 2.034 -3.736) 5.300 11.720 ( -1.902 -2.308 10.741) 11.150 11.761 ( 1.603 2.307 8.431) 8.887 11.987 ( -2.003 5.650 12.950) 14.270 12.042 ( 4.927 1.868 4.816) 7.139 12.081 ( -2.942 0.553 -8.140) 8.672 12.164 ( 3.192 -1.334 -2.881) 4.502 12.341 ( 3.457 6.108 -17.696) 19.037 12.464 ( -5.767 -2.836 -15.283) 16.580 12.950 ( 2.881 0.925 12.972) 13.320 13.199 ( 0.366 1.003 -10.050) 10.106 13.660 ( -6.377 0.121 6.399) 9.035 13.793 ( 7.170 0.050 -5.394) 8.973 13.914 ( 2.528 5.634 5.324) 8.153 14.018 ( 2.765 1.066 -3.842) 4.852 14.176 ( 1.465 -4.951 1.223) 5.306 14.233 ( -6.206 -7.921 -4.041) 10.844 14.746 ( -0.197 3.189 6.061) 6.851 14.876 ( -1.785 7.613 -6.209) 9.985 15.169 ( 6.270 -3.240 6.618) 9.675 15.279 ( -4.196 -3.829 -3.882) 6.881 15.573 ( -4.999 -3.332 7.234) 9.404 15.742 ( 4.184 -6.490 -8.158) 11.234 17.689 ( -1.668 -1.378 12.887) 13.068 17.904 ( 1.020 -2.419 -6.065) 6.609 18.113 ( 1.404 -0.654 5.341) 5.561 18.244 ( -1.160 -2.448 -5.970) 6.556 19.428 ( -2.187 1.164 5.636) 6.156 19.567 ( 2.703 -0.174 -7.800) 8.257 20.042 ( 6.896 -32.688 11.773) 35.421 20.147 ( -5.322 -19.685 -0.025) 20.392 21.932 ( 2.619 5.789 3.411) 7.212 22.039 ( -4.171 8.366 -6.828) 11.576 22.321 ( 0.074 10.089 0.326) 10.095 22.356 ( 3.376 8.720 -2.445) 9.665 23.403 ( -0.921 1.428 1.954) 2.590 23.465 ( -0.955 5.566 -4.692) 7.342 23.901 ( -2.508 4.080 0.549) 4.821 23.926 ( 1.487 3.755 -1.835) 4.436 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 2.340 11.739 24.607) 27.364 1.467 ( 11.560 15.140 19.025) 26.922 1.820 ( 5.957 10.262 -18.620) 22.080 2.043 ( -1.433 7.555 -25.605) 26.735 2.453 ( 17.056 8.372 20.885) 28.234 2.545 ( 2.133 5.053 -0.869) 5.553 2.614 ( -1.122 2.418 0.733) 2.765 2.865 ( 4.921 2.210 -3.156) 6.249 2.931 ( -5.513 0.844 3.015) 6.340 3.048 ( -3.439 -2.840 1.500) 4.706 3.089 ( 1.798 -2.479 9.050) 9.555 3.169 ( 1.721 -2.413 0.031) 2.964 3.251 ( 2.771 0.424 -2.752) 3.928 3.342 ( 4.194 -2.351 -5.441) 7.261 3.376 ( 2.169 -3.134 -3.008) 4.856 3.430 ( 2.758 -2.107 -7.364) 8.141 3.526 ( -2.004 -5.149 1.826) 5.819 3.560 ( -1.886 -1.747 -4.475) 5.161 3.661 ( -3.285 0.914 1.472) 3.714 3.707 ( 0.644 -1.385 -3.051) 3.412 3.812 ( 3.615 -2.780 0.557) 4.595 3.928 ( 5.207 0.810 6.067) 8.037 4.007 ( -1.112 -3.353 -5.836) 6.822 4.264 ( 3.688 1.581 -1.837) 4.413 4.292 ( 6.940 -5.167 -1.351) 8.757 4.344 ( 8.952 -2.696 -3.823) 10.100 4.642 ( -1.815 -0.239 8.034) 8.240 4.804 ( -5.819 3.257 3.053) 7.334 4.835 ( 0.534 8.455 -1.559) 8.615 4.916 ( -1.465 1.679 -2.069) 3.041 5.044 ( -3.793 -2.913 -2.382) 5.343 5.112 ( -2.681 -0.919 -1.035) 3.017 5.280 ( 0.200 1.143 7.906) 7.991 5.372 ( -2.697 1.529 -3.782) 4.891 5.642 ( -10.451 1.039 5.004) 11.633 5.831 ( -3.789 1.493 -2.919) 5.011 6.364 ( -1.753 -13.439 5.695) 14.701 6.498 ( -1.581 -13.383 -2.494) 13.705 6.721 ( -2.983 -0.978 6.376) 7.107 6.833 ( -4.476 0.763 -1.954) 4.943 7.400 ( -3.255 0.861 1.427) 3.656 7.526 ( -2.614 6.430 2.335) 7.323 7.705 ( 3.942 -2.538 -0.815) 4.759 7.901 ( 2.271 4.061 -3.387) 5.755 8.062 ( -7.576 -2.226 -0.592) 7.918 8.170 ( -9.838 6.573 1.910) 11.985 8.309 ( -1.709 6.039 -2.642) 6.810 8.386 ( -4.435 -5.509 -2.789) 7.603 8.399 ( -5.333 2.525 0.452) 5.918 8.509 ( -3.046 0.632 -2.234) 3.830 8.611 ( 4.929 -3.204 -2.511) 6.393 8.743 ( 8.903 -0.321 1.596) 9.050 8.814 ( 5.621 3.936 -2.629) 7.348 8.886 ( 8.532 0.629 3.109) 9.103 9.064 ( -1.271 -5.357 6.405) 8.446 9.168 ( -2.639 -6.478 4.548) 8.343 9.302 ( -0.235 7.586 0.017) 7.590 9.409 ( 3.535 -5.426 -2.187) 6.835 9.535 ( -1.991 -2.966 -0.604) 3.623 9.646 ( 1.104 2.817 -1.776) 3.508 9.782 ( 2.562 -10.150 3.200) 10.946 9.895 ( 3.409 3.155 -1.665) 4.934 9.937 ( 0.961 -5.032 7.179) 8.819 10.061 ( -1.481 -4.843 -1.244) 5.215 10.209 ( -4.301 2.586 -12.517) 13.486 10.340 ( 4.166 5.703 -0.870) 7.116 10.433 ( 2.702 11.612 5.823) 13.269 10.718 ( 10.024 2.181 5.841) 11.805 10.868 ( 0.129 5.514 -5.259) 7.621 11.100 ( 6.510 -3.192 -1.475) 7.399 11.671 ( -3.269 -1.159 10.576) 11.130 11.800 ( 1.551 6.222 6.232) 8.941 11.921 ( -2.323 5.411 7.927) 9.874 12.076 ( 2.527 2.641 -5.800) 6.856 12.155 ( 4.614 0.701 -1.191) 4.816 12.269 ( 5.917 -1.438 5.708) 8.346 12.344 ( -5.197 -4.227 -11.084) 12.951 12.471 ( 9.354 3.338 -18.884) 21.336 13.004 ( 2.823 3.204 6.667) 7.917 13.142 ( -4.910 0.669 -10.495) 11.606 13.639 ( 3.283 -1.821 4.471) 5.838 13.863 ( -2.413 -4.904 -2.528) 6.022 13.974 ( 0.146 0.508 -1.328) 1.429 14.043 ( 3.054 -1.238 -2.424) 4.091 14.265 ( 8.037 0.239 3.433) 8.743 14.314 ( 15.226 -3.071 -4.853) 16.273 14.666 ( -5.992 2.912 7.167) 9.785 14.740 ( -10.592 7.875 -5.903) 14.459 15.215 ( -3.915 -3.804 9.641) 11.079 15.241 ( -0.986 -3.143 -6.113) 6.944 15.537 ( 2.164 -3.221 2.267) 4.494 15.778 ( -0.351 -6.018 -4.599) 7.582 17.651 ( -2.614 -0.697 12.735) 13.020 17.912 ( -0.201 -3.616 -1.955) 4.116 18.076 ( -4.369 -0.304 3.777) 5.783 18.166 ( -6.184 -1.042 -6.488) 9.024 19.344 ( -6.546 1.094 5.090) 8.364 19.573 ( -1.686 -0.190 -7.599) 7.786 19.876 ( -17.626 -15.508 3.880) 23.795 19.896 ( -18.398 -17.166 6.052) 25.881 21.789 ( -4.783 0.624 -0.210) 4.828 22.110 ( 0.470 -0.794 0.568) 1.084 22.337 ( 0.246 8.585 1.572) 8.731 22.389 ( -3.787 16.193 -4.881) 17.331 23.451 ( 16.906 -7.082 -1.880) 18.426 23.763 ( 13.246 -0.574 -2.576) 13.506 23.962 ( 11.791 9.100 -1.249) 14.946 24.041 ( 9.359 3.254 -1.429) 10.011 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 16.079 4.662 16.142) 23.256 1.762 ( 16.785 11.013 12.584) 23.693 1.972 ( 7.351 7.641 -16.561) 19.664 2.018 ( 3.367 7.314 -19.462) 21.062 2.421 ( -11.248 -0.066 -1.212) 11.314 2.562 ( -6.951 7.009 -1.850) 10.043 2.594 ( -2.011 0.972 -1.087) 2.484 2.754 ( -12.160 -0.419 0.868) 12.198 3.035 ( 3.990 -2.305 8.012) 9.243 3.106 ( 6.129 -1.232 6.196) 8.802 3.190 ( 12.514 4.719 13.888) 19.280 3.208 ( 1.741 -4.438 -4.540) 6.583 3.314 ( -1.362 -4.845 -2.393) 5.572 3.407 ( 6.879 0.876 -4.062) 8.037 3.415 ( 2.966 -2.394 -0.432) 3.836 3.509 ( 4.884 -1.554 -2.537) 5.719 3.553 ( -2.268 0.412 -0.949) 2.493 3.583 ( 6.946 -2.632 8.087) 10.981 3.613 ( 2.803 4.801 -1.623) 5.791 3.767 ( 5.986 1.402 -1.741) 6.390 3.885 ( 4.037 -6.681 -4.188) 8.859 4.005 ( 1.993 -5.843 -3.911) 7.308 4.098 ( 10.825 1.022 5.688) 12.271 4.269 ( -1.430 3.775 -2.242) 4.617 4.403 ( 4.822 -4.737 -3.545) 7.633 4.546 ( 6.902 -4.043 -3.946) 8.919 4.600 ( -1.278 -1.756 1.613) 2.706 4.710 ( -3.814 -0.704 0.978) 4.000 4.837 ( -0.685 4.156 4.076) 5.862 4.896 ( 0.738 3.664 -4.057) 5.516 4.951 ( -4.989 2.605 -3.232) 6.491 5.042 ( -3.889 1.979 2.016) 4.807 5.263 ( -2.236 -1.386 3.766) 4.594 5.336 ( -1.963 2.827 3.296) 4.766 5.387 ( -14.706 3.293 5.561) 16.064 5.707 ( -8.163 1.769 -7.429) 11.178 6.338 ( -0.836 -9.528 4.196) 10.444 6.446 ( -3.115 -7.640 -1.163) 8.332 6.673 ( -1.908 -2.410 5.305) 6.132 6.748 ( -3.651 1.071 0.021) 3.805 7.386 ( 1.552 1.140 1.398) 2.380 7.498 ( 0.003 6.326 0.856) 6.383 7.736 ( -1.303 -2.723 -5.671) 6.424 7.892 ( -6.222 0.173 0.671) 6.261 7.950 ( -3.144 0.137 2.585) 4.073 8.019 ( -3.905 6.898 -0.435) 7.938 8.241 ( -3.987 -0.590 -2.451) 4.717 8.263 ( -4.983 0.264 -1.539) 5.222 8.321 ( -2.331 4.049 1.373) 4.870 8.458 ( -2.653 -4.395 -4.852) 7.064 8.672 ( -0.034 -1.249 -2.350) 2.661 8.819 ( -1.470 0.828 -0.161) 1.695 8.949 ( 6.028 -0.319 -1.002) 6.119 9.009 ( 3.414 -3.690 1.280) 5.187 9.088 ( 5.444 -0.789 0.776) 5.555 9.160 ( 1.367 -1.207 3.602) 4.038 9.317 ( 1.947 5.114 6.818) 8.742 9.442 ( -0.132 -4.181 2.076) 4.670 9.526 ( 0.746 -2.220 -1.342) 2.699 9.641 ( -1.130 0.175 -1.719) 2.065 9.863 ( 4.492 -9.880 2.962) 11.250 9.928 ( 1.389 1.873 0.565) 2.399 10.001 ( 3.025 -6.908 3.549) 8.334 10.034 ( -0.551 -8.279 -1.958) 8.525 10.217 ( 5.855 -1.339 -10.336) 11.954 10.415 ( 3.065 4.774 0.377) 5.686 10.480 ( 1.723 9.161 3.896) 10.103 10.742 ( -3.556 -8.163 4.153) 9.824 11.050 ( 12.840 10.095 -2.402) 16.509 11.214 ( 6.374 0.643 -0.092) 6.407 11.593 ( -5.259 2.215 9.221) 10.844 11.793 ( -3.123 13.819 -0.028) 14.168 11.932 ( 2.775 1.229 9.560) 10.031 12.122 ( -3.818 -0.143 -2.617) 4.631 12.163 ( 2.171 0.766 -11.932) 12.153 12.315 ( 3.699 -1.199 3.140) 4.998 12.409 ( 7.142 -0.632 1.530) 7.331 12.637 ( 7.142 -1.286 -10.518) 12.779 13.039 ( -0.957 0.387 -8.551) 8.613 13.074 ( -0.374 1.321 0.165) 1.383 13.656 ( -2.831 -3.920 9.441) 10.607 13.818 ( -2.067 0.003 -6.656) 6.969 14.002 ( 6.776 -4.309 -3.352) 8.701 14.102 ( 1.680 -4.961 -0.077) 5.238 14.355 ( -1.589 5.005 2.114) 5.660 14.511 ( -11.924 5.724 -6.252) 14.629 14.672 ( 15.544 -2.569 1.612) 15.837 14.706 ( 15.289 -0.502 -0.878) 15.322 15.095 ( -6.517 -2.310 8.094) 10.645 15.181 ( -4.070 -1.315 -5.260) 6.780 15.581 ( -0.213 -5.123 -0.590) 5.162 15.726 ( -4.904 -3.245 -1.746) 6.134 17.600 ( -2.646 0.152 12.941) 13.210 17.884 ( -3.134 -4.951 9.291) 10.985 17.993 ( -3.758 -0.526 -7.863) 8.730 18.044 ( -4.481 2.337 -4.125) 6.524 19.198 ( -7.610 1.339 5.566) 9.522 19.492 ( -8.899 -1.888 -7.446) 11.756 19.565 ( -10.695 -4.031 -2.156) 11.631 19.585 ( -10.986 -4.481 7.605) 14.093 21.760 ( 0.850 -4.719 -0.047) 4.795 22.054 ( -5.928 -3.739 0.509) 7.027 22.258 ( -4.325 13.371 -0.003) 14.053 22.337 ( -2.624 6.225 -0.467) 6.772 23.809 ( 15.400 -8.351 1.295) 17.566 23.942 ( 8.267 -5.375 -1.363) 9.955 24.202 ( 10.043 7.088 0.453) 12.301 24.292 ( 13.882 4.285 -8.450) 16.807 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 18.206 0.506 5.793) 19.112 2.006 ( 1.542 2.940 -4.625) 5.693 2.086 ( -5.481 3.727 -3.900) 7.690 2.106 ( 11.200 7.234 -0.116) 13.333 2.262 ( 6.225 5.216 -5.191) 9.639 2.380 ( -11.620 6.199 1.051) 13.212 2.484 ( -8.757 1.475 -4.398) 9.910 2.555 ( -7.227 3.381 -3.026) 8.533 3.067 ( 0.336 -2.679 6.110) 6.680 3.144 ( 0.560 -1.970 5.717) 6.072 3.213 ( -0.974 -4.604 -6.354) 7.907 3.275 ( 0.456 -3.328 -4.657) 5.742 3.400 ( 4.701 -0.570 5.556) 7.301 3.461 ( 1.429 -2.624 0.134) 2.991 3.469 ( -1.714 -0.952 0.282) 1.981 3.558 ( 3.128 0.605 -7.473) 8.124 3.602 ( 2.550 -0.571 1.020) 2.805 3.634 ( 1.961 1.758 0.195) 2.641 3.758 ( 5.790 -2.054 6.643) 9.048 3.920 ( -1.018 -6.348 -2.743) 6.989 3.981 ( 13.604 3.438 10.325) 17.421 4.081 ( 5.976 -5.295 -0.512) 8.000 4.211 ( -6.057 -1.438 -0.077) 6.225 4.313 ( 7.329 0.520 2.770) 7.852 4.503 ( -3.940 -1.119 -6.533) 7.711 4.519 ( 9.334 0.640 0.348) 9.362 4.597 ( -4.485 -1.770 -2.367) 5.371 4.714 ( 3.044 2.765 -1.989) 4.568 4.791 ( -3.654 -2.300 2.292) 4.888 4.837 ( -6.489 0.796 2.253) 6.915 4.979 ( -2.533 4.195 4.381) 6.573 4.985 ( 4.623 5.431 2.732) 7.637 5.100 ( -7.025 2.707 -0.763) 7.567 5.205 ( -3.941 -0.779 -3.159) 5.110 5.337 ( -0.041 3.828 6.091) 7.194 5.562 ( -5.050 2.693 -10.782) 12.207 6.332 ( -0.201 -6.317 4.134) 7.553 6.400 ( -1.204 -5.031 -1.223) 5.315 6.645 ( -1.359 -3.019 5.810) 6.687 6.703 ( -0.746 1.031 -0.617) 1.414 7.437 ( 2.686 1.793 5.066) 6.008 7.541 ( 4.904 4.313 -1.890) 6.799 7.666 ( -4.778 1.610 -5.993) 7.832 7.705 ( -10.025 0.549 -0.878) 10.079 7.928 ( 0.115 2.599 2.971) 3.949 7.983 ( -0.440 2.905 -1.336) 3.227 8.189 ( -2.490 -2.135 1.087) 3.456 8.217 ( 0.458 1.227 -2.549) 2.866 8.329 ( 2.727 -2.379 -0.572) 3.664 8.425 ( -0.444 -5.050 -4.476) 6.763 8.624 ( -3.299 -1.339 1.037) 3.708 8.717 ( -6.254 2.128 -3.877) 7.660 9.031 ( 2.446 -2.626 1.024) 3.732 9.064 ( 1.483 -1.255 1.628) 2.535 9.182 ( 1.008 2.484 2.312) 3.540 9.214 ( 5.118 3.768 -1.329) 6.493 9.359 ( 1.706 0.634 6.123) 6.388 9.426 ( -0.600 -4.609 2.109) 5.104 9.546 ( 0.849 -0.879 0.105) 1.227 9.615 ( -1.231 -3.657 -2.572) 4.637 9.922 ( 1.577 -2.904 2.509) 4.149 9.953 ( -1.217 -3.995 2.233) 4.735 10.016 ( 1.564 -7.256 0.351) 7.431 10.055 ( 1.462 -9.896 -1.894) 10.181 10.401 ( 8.094 -4.092 -2.561) 9.424 10.434 ( 1.576 -0.310 4.005) 4.315 10.502 ( 0.486 1.699 0.011) 1.767 10.641 ( -6.394 -4.998 -0.770) 8.152 11.266 ( 9.778 5.209 4.705) 12.037 11.384 ( 10.709 11.811 -3.872) 16.406 11.472 ( -7.339 5.631 6.518) 11.316 11.662 ( -9.601 13.724 -8.401) 18.738 11.991 ( -0.385 -6.614 5.044) 8.326 12.045 ( 1.129 3.314 8.566) 9.254 12.210 ( 0.977 1.273 -8.677) 8.824 12.376 ( 1.283 2.224 -5.929) 6.460 12.546 ( 6.190 -1.050 4.130) 7.515 12.726 ( 2.222 -3.196 -4.105) 5.657 13.008 ( -2.203 -2.813 -3.176) 4.780 13.053 ( -1.807 -1.801 -0.970) 2.729 13.621 ( -0.067 0.071 8.725) 8.725 13.782 ( -0.112 4.108 -5.751) 7.069 14.085 ( -0.314 -3.328 1.235) 3.564 14.167 ( 0.812 -2.444 -1.569) 3.016 14.295 ( -1.667 1.335 0.962) 2.342 14.354 ( -1.617 2.250 -7.649) 8.136 14.820 ( 0.737 -7.641 4.085) 8.696 14.945 ( -1.456 -5.082 -4.783) 7.129 15.094 ( 12.740 -2.587 -0.726) 13.020 15.230 ( 9.419 3.093 1.677) 10.055 15.471 ( -9.746 -4.491 1.847) 10.889 15.610 ( -6.533 0.228 -4.725) 8.066 17.573 ( -0.109 0.912 14.087) 14.117 17.809 ( -3.836 -4.018 6.307) 8.404 17.924 ( -2.603 1.434 -3.115) 4.305 18.025 ( 1.412 0.844 -6.355) 6.564 19.095 ( -2.652 1.727 6.523) 7.251 19.302 ( -6.852 -0.433 -8.512) 10.936 19.408 ( -5.552 -1.264 9.945) 11.460 19.517 ( 0.626 -0.246 -7.097) 7.129 21.809 ( 4.097 -5.197 0.147) 6.619 21.920 ( -6.698 -3.557 -0.183) 7.587 22.226 ( 0.241 7.118 0.871) 7.176 22.274 ( -2.920 6.386 -0.577) 7.046 23.986 ( 3.268 -4.863 5.551) 8.071 24.079 ( 4.530 -7.571 -2.628) 9.206 24.349 ( 4.275 5.820 1.394) 7.355 24.479 ( 5.690 2.700 -10.166) 11.959 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -15.915 2.656 9.935) 18.949 2.056 ( -14.536 8.990 4.871) 17.772 2.087 ( -4.750 3.069 -8.872) 10.521 2.210 ( 1.765 1.658 -9.278) 9.589 2.269 ( 6.696 1.466 -4.886) 8.418 2.431 ( 7.891 6.549 -3.243) 10.756 2.446 ( 2.331 2.477 -1.050) 3.559 2.506 ( 10.046 4.939 0.355) 11.200 3.068 ( -0.267 -3.029 6.167) 6.876 3.152 ( 0.280 -2.257 5.041) 5.531 3.184 ( -2.177 -1.988 -2.298) 3.738 3.304 ( 2.629 -3.610 -6.911) 8.228 3.410 ( -2.797 -1.812 -0.757) 3.417 3.417 ( -2.612 -2.397 3.051) 4.677 3.487 ( -1.816 -2.511 1.146) 3.304 3.552 ( -0.310 -0.547 -2.365) 2.447 3.621 ( -3.337 -0.549 -2.668) 4.307 3.669 ( 1.559 -0.362 -2.155) 2.684 3.809 ( -4.724 -4.050 2.118) 6.573 3.842 ( -6.142 1.975 3.068) 7.144 4.013 ( -2.812 -4.761 4.204) 6.946 4.178 ( -5.191 0.546 -0.692) 5.265 4.211 ( 2.979 -3.268 1.693) 4.735 4.271 ( -0.353 -1.004 -2.254) 2.493 4.406 ( -5.120 1.721 2.950) 6.155 4.485 ( -8.379 3.320 1.625) 9.158 4.601 ( -5.591 -1.236 2.967) 6.450 4.684 ( -3.385 -0.163 -2.244) 4.064 4.794 ( 6.362 0.672 -0.423) 6.411 4.835 ( 2.680 -0.016 2.897) 3.947 4.953 ( 6.851 -0.271 4.079) 7.978 5.055 ( -3.960 3.129 -1.428) 5.246 5.119 ( 4.970 3.188 3.254) 6.742 5.240 ( 11.484 4.739 -10.339) 16.163 5.368 ( 4.569 1.313 6.728) 8.238 5.522 ( 0.213 2.979 -10.160) 10.590 6.327 ( -0.148 -6.342 4.604) 7.838 6.402 ( 1.076 -5.908 -1.305) 6.145 6.632 ( 0.289 -2.231 5.564) 6.002 6.715 ( 1.689 1.708 -0.265) 2.417 7.458 ( -1.541 2.507 4.495) 5.372 7.561 ( -3.615 1.101 0.181) 3.784 7.570 ( -2.080 3.806 -2.437) 4.975 7.707 ( 9.529 2.180 -1.147) 9.842 7.946 ( 1.298 -0.166 0.303) 1.343 8.009 ( 2.737 2.960 -2.666) 4.834 8.158 ( 0.289 -1.899 0.769) 2.069 8.260 ( 3.517 3.463 -4.134) 6.439 8.354 ( -1.661 -4.028 -0.218) 4.362 8.412 ( -0.704 -5.675 -5.177) 7.714 8.590 ( 0.652 3.228 3.809) 5.035 8.686 ( 3.596 -2.034 -0.786) 4.205 9.029 ( -2.790 1.137 1.774) 3.497 9.059 ( -2.120 -2.648 1.844) 3.861 9.170 ( -2.436 2.269 1.045) 3.489 9.251 ( -1.104 1.217 -3.076) 3.487 9.382 ( -0.008 0.797 4.458) 4.529 9.462 ( 4.328 -4.012 -0.898) 5.969 9.555 ( 1.163 -1.120 1.870) 2.471 9.601 ( -0.520 -4.430 -3.350) 5.578 9.868 ( -4.764 -2.180 4.519) 6.919 9.971 ( 1.551 -4.803 2.403) 5.590 10.028 ( -1.816 -3.236 -0.487) 3.743 10.060 ( -1.266 -13.273 -2.565) 13.578 10.313 ( -8.494 -4.780 4.796) 10.863 10.471 ( -3.912 -0.190 2.892) 4.869 10.539 ( -0.621 3.944 -3.118) 5.066 10.648 ( 9.070 -5.968 -2.474) 11.135 11.293 ( -9.788 7.796 0.347) 12.518 11.423 ( -5.278 8.136 -1.976) 9.898 11.485 ( 6.674 9.852 3.276) 12.343 11.616 ( 8.348 8.323 -5.852) 13.161 11.940 ( -3.162 -1.317 8.291) 8.970 12.105 ( 0.701 -1.820 2.614) 3.261 12.211 ( 0.582 2.917 1.085) 3.166 12.342 ( -3.784 5.459 -12.355) 14.027 12.619 ( 0.057 -3.588 5.053) 6.197 12.710 ( -2.572 -3.202 -7.917) 8.920 12.927 ( -5.962 -7.418 2.341) 9.801 13.060 ( 2.603 0.820 -0.394) 2.757 13.642 ( 1.571 1.979 5.620) 6.163 13.820 ( 3.273 1.536 -7.125) 7.990 14.002 ( -9.129 1.836 3.339) 9.892 14.157 ( 5.809 1.063 6.132) 8.513 14.292 ( -4.409 -4.775 -5.997) 8.843 14.356 ( 1.937 1.143 -2.601) 3.438 14.836 ( 2.093 -4.367 2.492) 5.447 14.907 ( -5.636 -2.157 -1.880) 6.321 15.140 ( -7.929 -7.073 -4.622) 11.587 15.273 ( -2.758 -1.501 -2.071) 3.761 15.461 ( 5.734 -1.712 3.858) 7.120 15.586 ( 6.829 1.295 -3.631) 7.842 17.612 ( 3.658 -0.145 14.525) 14.979 17.766 ( -0.470 -2.619 5.079) 5.734 17.891 ( -0.840 3.129 -2.471) 4.074 18.069 ( 3.071 -1.371 -6.720) 7.514 19.110 ( 4.268 1.114 9.321) 10.312 19.246 ( 1.147 0.682 -7.669) 7.784 19.361 ( 0.208 0.276 7.671) 7.679 19.591 ( 7.311 -1.961 -7.248) 10.480 21.805 ( -3.961 -4.806 0.463) 6.245 21.928 ( 6.994 -4.399 -0.878) 8.308 22.212 ( -1.011 8.068 1.690) 8.305 22.285 ( 3.323 5.960 -1.086) 6.909 23.950 ( -7.087 -4.301 6.617) 10.607 24.086 ( -3.544 -7.482 -1.996) 8.516 24.346 ( -4.396 5.510 0.962) 7.115 24.513 ( -2.172 2.207 -11.735) 12.136 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -8.962 6.864 20.787) 23.654 1.726 ( -17.441 13.380 11.396) 24.760 1.945 ( -5.969 4.097 -19.300) 20.613 2.077 ( -10.828 6.703 -16.156) 20.571 2.432 ( 7.180 0.399 -1.209) 7.292 2.532 ( 4.555 6.464 0.634) 7.933 2.592 ( 5.914 1.912 -1.491) 6.392 2.755 ( 13.054 1.239 0.440) 13.120 3.026 ( -12.478 1.043 9.516) 15.727 3.089 ( -3.580 -0.979 7.098) 8.010 3.155 ( -0.685 -2.751 5.123) 5.855 3.310 ( -8.997 0.142 2.855) 9.440 3.320 ( -5.222 -3.609 -0.385) 6.359 3.374 ( 1.451 -2.132 -7.049) 7.506 3.407 ( 1.128 -4.656 -0.302) 4.800 3.461 ( -5.141 -2.894 0.690) 5.939 3.586 ( -0.563 0.523 0.284) 0.819 3.614 ( -3.404 0.973 -3.867) 5.243 3.729 ( -0.272 2.135 -6.949) 7.275 3.807 ( -2.082 -8.725 1.396) 9.078 3.912 ( -14.862 2.151 -13.864) 20.438 3.994 ( -4.740 -1.175 -3.094) 5.781 4.172 ( -3.479 1.974 4.812) 6.257 4.218 ( -4.750 0.053 -2.454) 5.347 4.329 ( -2.352 -2.751 4.216) 5.556 4.402 ( -6.194 -2.525 6.926) 9.629 4.611 ( 6.708 -2.659 6.582) 9.767 4.678 ( 4.262 -2.486 -2.012) 5.329 4.843 ( -1.290 4.289 4.611) 6.429 4.889 ( 1.209 1.899 -0.569) 2.322 4.918 ( -2.318 2.651 -3.473) 4.946 5.110 ( 3.508 2.715 -3.880) 5.893 5.215 ( 4.341 0.605 5.489) 7.024 5.491 ( 10.042 1.799 -4.614) 11.197 5.511 ( 5.665 2.040 -5.551) 8.190 5.567 ( 9.401 1.838 2.255) 9.841 6.338 ( 1.221 -9.606 5.206) 10.994 6.431 ( 1.846 -9.227 -0.468) 9.422 6.665 ( 2.919 -1.085 4.841) 5.756 6.762 ( 3.109 2.923 -0.171) 4.271 7.421 ( -0.642 2.689 -1.625) 3.207 7.526 ( 0.172 3.953 -0.862) 4.050 7.583 ( 1.740 1.477 6.790) 7.163 7.891 ( 8.061 -2.383 1.577) 8.553 7.945 ( -2.143 -0.991 -0.591) 2.434 8.092 ( 6.979 4.386 -3.230) 8.854 8.203 ( 3.392 0.260 -2.415) 4.173 8.304 ( 0.541 -3.495 -2.051) 4.089 8.363 ( 5.495 8.253 -2.140) 10.143 8.424 ( 1.864 -4.464 -2.950) 5.666 8.614 ( -0.293 3.894 2.631) 4.709 8.777 ( 3.531 -4.763 3.241) 6.757 8.939 ( -6.971 1.869 -0.840) 7.266 8.976 ( -4.768 1.127 5.684) 7.504 9.107 ( -3.264 -4.412 -1.650) 5.731 9.221 ( -1.157 0.893 -2.544) 2.934 9.354 ( -2.125 -3.401 3.110) 5.075 9.543 ( 2.334 -2.348 -6.501) 7.296 9.573 ( -2.544 -6.156 -1.815) 6.903 9.615 ( 4.254 0.342 0.303) 4.279 9.816 ( 1.192 0.587 6.771) 6.900 9.896 ( -9.266 -4.719 0.738) 10.425 9.973 ( -4.884 -7.845 1.798) 9.415 10.017 ( -1.538 -1.776 2.023) 3.100 10.192 ( -2.458 -4.640 -3.596) 6.364 10.392 ( -4.226 2.900 1.838) 5.445 10.527 ( -0.910 5.604 -0.266) 5.684 10.777 ( 3.657 2.856 0.088) 4.641 11.097 ( -10.133 2.787 -6.472) 12.342 11.266 ( -8.219 0.604 -5.117) 9.700 11.647 ( 6.442 9.259 7.441) 13.513 11.740 ( 3.763 5.177 1.857) 6.664 11.895 ( -0.792 2.521 6.520) 7.035 12.051 ( -4.347 -0.510 8.070) 9.181 12.208 ( -2.805 2.823 -5.859) 7.083 12.297 ( 0.033 3.776 -5.012) 6.276 12.494 ( -10.228 -5.091 -12.144) 16.674 12.706 ( -1.827 0.072 -6.348) 6.606 12.810 ( -2.671 -5.511 7.775) 9.897 13.118 ( 2.622 2.468 -1.764) 4.010 13.679 ( 1.751 -0.753 5.432) 5.756 13.828 ( -4.949 1.682 -4.661) 7.003 13.889 ( 1.149 -4.188 3.323) 5.468 14.150 ( -6.515 -2.442 -1.742) 7.173 14.347 ( 7.314 2.280 5.711) 9.556 14.414 ( 3.422 1.313 -0.600) 3.714 14.599 ( -16.124 4.208 -0.131) 16.664 14.879 ( -1.807 -1.263 -5.314) 5.753 15.029 ( -3.965 -3.399 1.672) 5.484 15.310 ( 7.965 -5.100 -7.284) 11.937 15.559 ( 2.575 -4.431 1.338) 5.297 15.690 ( 2.431 -1.555 0.993) 3.052 17.691 ( 2.611 -3.498 10.804) 11.652 17.807 ( 4.606 -1.116 11.584) 12.516 17.897 ( 2.358 3.898 -6.448) 7.895 18.138 ( 4.221 -2.689 -6.644) 8.318 19.278 ( 12.854 -1.882 13.289) 18.584 19.330 ( 6.982 0.409 -6.980) 9.881 19.403 ( 3.832 0.092 7.280) 8.227 19.790 ( 13.121 -6.457 -6.523) 16.012 21.758 ( -0.874 -4.873 0.146) 4.953 22.068 ( 6.403 -4.455 -0.734) 7.835 22.228 ( 2.964 13.723 2.127) 14.199 22.354 ( 3.200 6.916 -1.511) 7.769 23.721 ( -16.243 -5.008 5.840) 17.972 23.966 ( -7.970 -7.183 -1.615) 10.850 24.206 ( -9.289 5.196 0.084) 10.644 24.369 ( -12.871 3.985 -13.741) 19.244 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -6.431 16.070 20.956) 27.180 1.473 ( -3.492 12.909 24.339) 27.771 1.864 ( -6.227 9.098 -21.519) 24.179 1.914 ( 0.169 7.476 -21.969) 23.207 2.321 ( -18.410 8.660 18.990) 27.831 2.643 ( 0.503 1.912 3.218) 3.777 2.659 ( 0.550 2.992 -1.875) 3.574 2.723 ( -0.061 4.781 2.526) 5.407 2.970 ( 2.989 -2.902 5.542) 6.933 3.066 ( -1.157 -1.094 3.206) 3.579 3.136 ( -0.513 -0.714 4.724) 4.805 3.207 ( -3.260 -0.258 0.148) 3.274 3.259 ( -0.489 -4.401 -3.707) 5.775 3.352 ( -4.316 -3.432 -7.339) 9.180 3.403 ( -0.737 -1.270 -12.912) 12.995 3.448 ( -3.977 -0.012 -6.695) 7.787 3.507 ( 1.154 -5.059 1.263) 5.340 3.627 ( -1.240 -1.337 -8.529) 8.721 3.652 ( 0.861 -0.965 0.578) 1.416 3.692 ( -3.260 -3.426 -0.672) 4.777 3.875 ( -2.492 -1.828 -3.625) 4.763 3.920 ( 3.604 0.042 0.914) 3.718 4.039 ( -6.940 -0.530 -1.633) 7.150 4.155 ( -7.288 -1.576 3.560) 8.263 4.251 ( -2.843 -0.018 2.508) 3.791 4.315 ( -2.896 -4.411 1.597) 5.513 4.684 ( 0.262 0.993 8.652) 8.712 4.792 ( 0.467 5.552 -2.427) 6.078 4.834 ( 7.759 -2.942 -2.156) 8.573 4.916 ( 2.432 3.731 3.712) 5.798 4.934 ( 1.502 2.253 1.479) 3.085 5.171 ( 2.949 -0.592 -3.235) 4.417 5.254 ( -0.158 0.863 3.829) 3.928 5.493 ( -1.923 0.510 -9.357) 9.566 5.717 ( 9.192 2.254 -1.881) 9.649 5.748 ( 6.135 0.123 5.088) 7.971 6.373 ( 1.799 -14.132 6.741) 15.761 6.467 ( 1.879 -13.084 -1.330) 13.285 6.731 ( 3.091 -1.070 5.702) 6.574 6.832 ( 3.880 3.043 -2.374) 5.473 7.448 ( 3.229 1.085 -2.224) 4.068 7.554 ( 0.799 0.432 -0.828) 1.229 7.622 ( 3.055 5.553 7.289) 9.659 7.864 ( -5.092 1.844 -2.079) 5.801 8.037 ( 8.479 -3.012 2.601) 9.366 8.241 ( 4.405 4.136 -1.146) 6.150 8.286 ( 6.615 1.190 -2.259) 7.091 8.360 ( 3.347 -3.770 -2.077) 5.452 8.409 ( 1.320 2.878 -0.974) 3.313 8.519 ( 5.283 4.648 -2.264) 7.392 8.555 ( -3.242 -2.288 1.972) 4.431 8.750 ( -8.252 -0.511 0.878) 8.315 8.806 ( -3.122 2.239 0.623) 3.893 8.879 ( -7.294 5.501 0.774) 9.169 9.102 ( 2.911 -9.133 2.967) 10.034 9.199 ( -1.440 3.963 1.225) 4.391 9.326 ( -0.746 -8.067 -1.817) 8.303 9.466 ( -6.779 -9.071 -4.385) 12.144 9.558 ( -0.710 -1.874 -4.245) 4.694 9.686 ( 0.613 5.613 -3.694) 6.748 9.746 ( -1.875 1.029 5.434) 5.840 9.866 ( -4.608 -6.111 -0.264) 7.659 9.922 ( 3.577 -6.031 5.101) 8.671 10.002 ( 3.528 4.790 6.806) 9.040 10.175 ( -0.670 -3.545 -7.411) 8.242 10.318 ( -2.535 4.423 1.348) 5.273 10.507 ( -0.695 9.043 -0.326) 9.075 10.747 ( -10.274 13.229 1.379) 16.807 10.924 ( -3.547 -0.501 -10.045) 10.664 11.111 ( -7.996 -4.846 -2.771) 9.752 11.708 ( 1.263 2.850 8.268) 8.836 11.771 ( -0.762 3.704 7.183) 8.118 11.935 ( 4.452 4.153 3.904) 7.232 11.999 ( -0.928 1.249 14.357) 14.441 12.154 ( -1.658 -1.419 -7.116) 7.444 12.215 ( -8.327 1.557 -3.708) 9.247 12.352 ( -3.139 3.528 -15.373) 16.082 12.581 ( -6.811 -2.588 -14.661) 16.371 12.872 ( 4.781 -0.344 13.231) 14.073 13.162 ( 2.473 2.791 -6.103) 7.152 13.691 ( 0.464 -2.560 1.431) 2.969 13.776 ( -0.804 1.431 2.029) 2.610 13.948 ( 3.979 -4.216 0.897) 5.866 14.001 ( -10.397 1.899 1.849) 10.730 14.210 ( -7.514 -0.290 4.106) 8.568 14.393 ( -7.028 -1.992 -6.546) 9.809 14.646 ( 9.424 4.518 2.686) 10.791 14.840 ( 2.328 3.934 -8.817) 9.932 15.061 ( 4.072 -2.405 9.279) 10.414 15.378 ( -2.999 -4.484 -4.104) 6.779 15.616 ( 4.239 -5.921 -2.204) 7.608 15.683 ( -1.897 -3.271 1.163) 3.956 17.708 ( -0.499 -2.490 12.014) 12.280 17.876 ( 2.054 -1.622 -3.410) 4.299 18.013 ( 7.807 0.965 4.812) 9.221 18.217 ( 3.532 -2.932 -6.152) 7.676 19.428 ( 1.951 1.014 6.147) 6.528 19.473 ( 6.861 0.022 -7.192) 9.940 19.677 ( 23.273 -15.614 16.108) 32.325 20.056 ( 12.431 -14.738 -2.730) 19.473 21.782 ( 4.307 0.158 0.339) 4.324 22.140 ( 0.687 -0.092 -2.056) 2.170 22.300 ( 2.482 13.068 3.274) 13.698 22.383 ( -1.126 11.309 -2.771) 11.698 23.407 ( -11.988 -4.403 1.540) 12.863 23.790 ( -12.408 -5.693 -3.427) 14.075 24.016 ( -10.911 5.954 -3.501) 12.914 24.048 ( -14.219 7.567 -5.707) 17.088 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.337 19.698 17.317) 26.230 1.783 ( -5.351 20.286 19.639) 28.738 2.037 ( -0.869 15.593 -15.446) 21.965 2.203 ( 6.585 13.328 -18.501) 23.734 2.427 ( 6.121 18.111 19.068) 27.001 2.608 ( -4.999 0.614 1.021) 5.139 2.792 ( -0.861 6.955 -1.917) 7.265 2.805 ( 0.210 2.038 0.366) 2.081 2.934 ( 5.054 -4.089 5.882) 8.767 3.028 ( 0.216 -2.258 5.211) 5.683 3.039 ( -4.113 -3.884 -5.909) 8.180 3.152 ( -1.868 -0.754 3.324) 3.887 3.225 ( 1.431 -2.781 -3.606) 4.773 3.264 ( 1.178 -2.024 1.184) 2.624 3.307 ( -5.419 -2.695 -6.588) 8.946 3.353 ( -0.285 -3.134 -12.538) 12.927 3.480 ( -0.494 -3.727 0.939) 3.875 3.540 ( 2.852 -2.804 -3.571) 5.362 3.594 ( 0.703 0.480 -4.211) 4.296 3.611 ( -1.390 -3.118 -2.351) 4.145 3.823 ( -3.495 -4.176 5.191) 7.524 3.901 ( 0.352 -2.333 0.225) 2.370 3.943 ( 1.070 -5.457 -1.150) 5.678 4.008 ( 1.751 -1.897 -4.628) 5.299 4.249 ( -0.459 0.336 3.480) 3.526 4.289 ( 2.724 1.847 0.120) 3.293 4.657 ( -2.111 -2.662 9.236) 9.841 4.861 ( 3.992 -10.326 -3.756) 11.691 4.921 ( 0.921 0.814 -2.614) 2.888 4.963 ( -1.487 -1.607 -2.554) 3.364 5.041 ( 0.595 10.026 6.329) 11.872 5.133 ( -0.828 2.327 -1.721) 3.011 5.336 ( -0.270 4.851 3.124) 5.776 5.430 ( -2.520 -1.046 -4.947) 5.650 5.766 ( -2.230 -2.113 7.143) 7.776 5.869 ( 2.487 0.774 -2.379) 3.528 6.158 ( -0.300 -8.144 3.334) 8.806 6.228 ( 0.921 -12.234 -2.678) 12.558 6.683 ( -0.733 -5.467 7.128) 9.013 6.825 ( -0.293 -6.095 -5.840) 8.447 7.472 ( -1.917 0.555 1.458) 2.472 7.532 ( 2.093 -0.215 -3.914) 4.444 7.831 ( -3.088 8.613 4.272) 10.098 7.893 ( 4.318 2.050 -1.065) 4.897 8.189 ( 3.899 -1.470 3.105) 5.197 8.231 ( -4.055 -1.978 -0.543) 4.544 8.326 ( -2.327 -3.291 -2.716) 4.860 8.364 ( 2.625 -3.538 -2.724) 5.180 8.503 ( 1.340 4.315 2.602) 5.214 8.531 ( 4.537 3.993 -1.463) 6.218 8.607 ( -3.910 0.137 1.062) 4.054 8.655 ( 2.610 -0.653 -0.066) 2.691 8.786 ( -5.262 1.360 1.340) 5.598 8.822 ( -1.067 1.879 -2.891) 3.609 9.078 ( 1.424 -0.750 5.453) 5.685 9.160 ( -3.444 -2.553 -2.447) 4.936 9.261 ( 0.671 -4.885 -1.005) 5.032 9.307 ( 3.340 1.407 -4.761) 5.983 9.471 ( 0.933 -4.442 3.365) 5.650 9.541 ( -3.580 -6.628 -2.850) 8.054 9.782 ( -1.146 2.171 5.754) 6.256 9.885 ( -0.545 6.415 -3.138) 7.162 10.018 ( 3.067 6.884 5.035) 9.063 10.101 ( -3.679 2.458 1.386) 4.637 10.254 ( 9.144 0.450 0.619) 9.176 10.330 ( 0.560 -0.630 -3.819) 3.911 10.637 ( 0.683 1.992 -1.029) 2.344 10.650 ( -9.319 3.733 -0.572) 10.055 10.993 ( -1.434 6.614 -0.067) 6.768 11.057 ( 1.362 4.977 -4.928) 7.135 11.674 ( -1.440 -1.865 11.313) 11.555 11.833 ( 1.024 5.144 -0.771) 5.301 12.011 ( 3.534 -6.948 14.389) 16.365 12.076 ( -0.611 4.967 5.065) 7.120 12.153 ( 2.221 7.724 4.883) 9.404 12.184 ( -1.546 4.500 -10.730) 11.738 12.368 ( -3.045 -4.839 -15.000) 16.052 12.444 ( -0.031 1.282 -15.764) 15.816 12.999 ( 4.916 3.959 8.645) 10.704 13.218 ( -2.247 0.641 -10.627) 10.881 13.656 ( -1.476 -0.176 9.646) 9.759 13.781 ( 1.455 -1.104 -1.681) 2.482 13.982 ( 6.140 -2.622 -1.205) 6.784 14.017 ( -3.058 -7.773 -3.651) 9.116 14.095 ( 4.477 8.845 4.041) 10.706 14.219 ( -7.099 4.948 -6.981) 11.118 14.790 ( -0.873 0.923 10.417) 10.494 14.975 ( 1.743 1.935 -7.342) 7.790 15.086 ( 3.248 -5.098 6.253) 8.697 15.180 ( -3.719 -6.254 -2.021) 7.552 15.497 ( -3.592 -4.159 2.221) 5.927 15.599 ( 3.348 -7.630 -5.756) 10.128 17.666 ( -0.958 -0.831 12.820) 12.883 17.845 ( 0.170 -3.732 0.993) 3.866 18.072 ( 0.740 -3.482 0.741) 3.636 18.182 ( -0.004 -3.944 -5.911) 7.106 19.447 ( -2.103 0.590 4.801) 5.275 19.553 ( 2.462 -2.235 -3.675) 4.956 19.577 ( 3.423 -14.464 12.019) 19.115 19.783 ( -3.323 -16.610 -6.187) 18.034 22.015 ( 2.605 3.220 4.512) 6.124 22.104 ( -3.757 0.984 -3.272) 5.078 22.504 ( -4.749 8.860 0.260) 10.056 22.545 ( 6.991 8.695 -3.601) 11.724 23.415 ( -2.220 -0.344 3.148) 3.867 23.510 ( 2.822 -1.021 -6.297) 6.976 24.008 ( -2.292 6.760 0.509) 7.156 24.044 ( 0.454 7.523 -3.388) 8.263 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -3.534 18.937 20.303) 27.988 1.790 ( 8.161 18.581 14.917) 25.187 2.072 ( 4.880 15.596 -13.596) 21.257 2.229 ( -3.590 11.317 -20.514) 23.702 2.567 ( 0.786 1.437 -0.057) 1.639 2.649 ( 3.535 6.165 5.287) 8.857 2.730 ( -0.289 7.418 3.138) 8.059 2.874 ( 0.880 -1.484 2.232) 2.821 2.971 ( 2.469 2.359 -0.237) 3.423 2.980 ( -3.306 -3.091 7.778) 8.999 3.044 ( 5.530 -1.317 4.706) 7.380 3.125 ( -0.919 -2.446 0.700) 2.704 3.254 ( 2.769 -1.187 -2.506) 3.919 3.280 ( -0.996 -5.895 -5.539) 8.150 3.312 ( 5.865 0.006 -1.305) 6.009 3.376 ( 3.739 -3.566 -0.838) 5.235 3.442 ( 0.962 -1.266 -0.721) 1.746 3.575 ( 0.118 1.172 -7.053) 7.151 3.638 ( 3.104 -3.148 -0.853) 4.503 3.658 ( 2.354 -1.941 -3.960) 4.998 3.781 ( 1.211 -0.986 1.938) 2.489 3.883 ( -1.100 -3.991 0.586) 4.181 3.961 ( 2.083 -1.265 0.176) 2.444 4.148 ( 10.472 -8.034 -3.170) 13.575 4.280 ( 3.690 0.189 2.869) 4.678 4.375 ( 4.883 3.448 -4.838) 7.690 4.622 ( -1.642 -2.203 7.624) 8.103 4.789 ( -8.754 -5.078 0.895) 10.160 4.933 ( -2.546 -1.995 -0.902) 3.358 4.964 ( 4.067 -2.832 -7.527) 9.012 5.025 ( -2.854 8.467 3.157) 9.477 5.122 ( -0.221 3.704 0.262) 3.720 5.295 ( -3.821 -0.273 3.093) 4.924 5.420 ( 0.542 3.993 0.897) 4.128 5.658 ( -8.731 0.168 6.290) 10.762 5.852 ( -3.909 0.199 -3.838) 5.482 6.157 ( 0.547 -7.683 2.355) 8.054 6.256 ( 1.650 -11.108 -2.213) 11.446 6.656 ( -1.975 -4.727 7.338) 8.949 6.787 ( -3.155 -5.097 -4.180) 7.308 7.445 ( -0.778 3.848 1.482) 4.196 7.588 ( 2.928 0.175 -3.079) 4.252 7.733 ( -3.781 4.659 -0.205) 6.004 7.977 ( 2.482 4.284 0.314) 4.961 8.039 ( -9.271 0.030 0.334) 9.277 8.201 ( -4.986 -6.118 0.683) 7.922 8.267 ( -5.940 -2.842 -0.732) 6.625 8.396 ( -0.987 2.425 -4.836) 5.500 8.438 ( -9.857 1.912 -2.416) 10.327 8.523 ( 3.977 -3.717 1.731) 5.712 8.626 ( -1.218 5.670 -3.155) 6.602 8.736 ( 8.019 -0.398 2.794) 8.501 8.850 ( 8.284 -1.429 6.689) 10.743 8.900 ( 6.489 2.487 0.607) 6.976 8.964 ( -6.254 -3.930 0.854) 7.436 9.112 ( -2.531 1.353 -1.494) 3.236 9.318 ( 4.505 -3.916 -3.125) 6.738 9.384 ( 0.542 -1.972 -5.236) 5.622 9.450 ( 1.865 -6.721 4.326) 8.208 9.603 ( 5.310 -2.961 2.051) 6.416 9.738 ( -3.531 5.275 4.912) 8.026 9.850 ( -2.133 0.590 1.678) 2.778 10.003 ( -4.059 4.203 -0.054) 5.843 10.044 ( -2.001 1.910 0.928) 2.918 10.260 ( -3.067 1.925 -9.404) 10.077 10.392 ( 3.335 -0.164 -1.148) 3.531 10.587 ( -0.191 2.892 2.481) 3.815 10.638 ( -1.707 -5.537 4.154) 7.129 11.031 ( 5.703 7.979 0.939) 9.853 11.135 ( 7.718 5.332 -2.859) 9.807 11.671 ( -0.213 1.289 11.081) 11.158 11.884 ( 3.136 3.371 5.278) 7.004 12.004 ( -0.771 2.795 -2.466) 3.807 12.134 ( 1.785 -4.813 6.725) 8.460 12.194 ( 3.740 9.212 1.242) 10.020 12.249 ( 5.753 1.417 -4.536) 7.463 12.299 ( -1.282 0.323 -7.575) 7.689 12.502 ( 5.329 0.097 -14.337) 15.295 13.090 ( 3.934 4.654 2.768) 6.693 13.140 ( -5.638 -0.975 -9.774) 11.326 13.620 ( -0.773 0.375 8.152) 8.198 13.770 ( -2.004 -4.201 0.805) 4.724 13.963 ( 0.324 -5.215 -7.550) 9.182 13.981 ( -5.505 -1.736 -0.970) 5.853 14.298 ( 13.675 2.285 0.398) 13.870 14.323 ( 14.522 4.865 -0.418) 15.321 14.705 ( -6.612 1.189 6.798) 9.558 14.875 ( -10.156 5.562 -5.971) 13.028 15.119 ( -3.314 -6.147 8.819) 11.249 15.151 ( 1.036 -6.438 -5.266) 8.382 15.462 ( 0.186 -4.088 -0.433) 4.115 15.641 ( 1.100 -7.732 -2.856) 8.316 17.640 ( -1.929 -0.283 12.483) 12.634 17.832 ( -1.558 -4.562 5.618) 7.402 18.044 ( -3.023 -2.563 -3.178) 5.081 18.142 ( -3.496 -1.847 -6.133) 7.297 19.364 ( -6.403 0.809 4.493) 7.864 19.550 ( -3.117 -6.711 5.367) 9.141 19.564 ( -3.958 -8.117 2.127) 9.278 19.649 ( -8.598 -10.355 -6.906) 15.128 21.849 ( -9.834 4.428 0.170) 10.787 22.080 ( -3.413 -1.869 1.191) 4.069 22.476 ( 0.345 7.603 0.445) 7.624 22.661 ( -3.406 9.696 -2.706) 10.627 23.371 ( 10.147 -1.573 -0.816) 10.301 23.685 ( 7.510 -6.032 -2.082) 9.855 24.114 ( 10.988 5.626 -1.171) 12.400 24.151 ( 10.004 7.770 -2.180) 12.853 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 8.947 13.002 14.663) 21.543 1.996 ( 11.210 13.237 8.880) 19.487 2.152 ( -0.383 10.329 -16.704) 19.643 2.214 ( 8.098 13.060 -9.116) 17.867 2.439 ( -12.718 1.570 -1.726) 12.930 2.605 ( -6.019 0.067 -0.209) 6.023 2.687 ( -2.940 3.947 1.984) 5.306 2.778 ( -7.187 4.909 -0.974) 8.758 2.982 ( 1.695 -3.200 6.440) 7.388 3.062 ( 2.219 -3.614 0.893) 4.333 3.116 ( 0.054 -4.706 -3.941) 6.138 3.214 ( -0.545 -4.379 0.608) 4.454 3.252 ( 8.439 0.347 2.651) 8.852 3.359 ( 4.408 -4.014 -1.950) 6.272 3.389 ( 3.648 -3.522 -2.631) 5.712 3.488 ( 6.241 -2.360 2.622) 7.168 3.541 ( -1.156 -2.558 -2.445) 3.722 3.557 ( 5.627 1.668 7.361) 9.414 3.695 ( 0.102 -7.359 -4.545) 8.650 3.737 ( 7.117 7.974 5.797) 12.159 3.835 ( 5.826 0.402 -0.005) 5.840 3.879 ( 4.427 -4.192 -8.045) 10.094 4.111 ( 10.873 0.404 4.057) 11.612 4.309 ( 4.666 -2.307 -2.004) 5.577 4.376 ( 6.582 0.665 -0.190) 6.618 4.476 ( 3.279 0.103 -5.272) 6.210 4.555 ( -3.868 -3.178 0.190) 5.009 4.654 ( -3.410 -3.835 1.437) 5.330 4.877 ( -3.222 -2.286 3.719) 5.425 4.960 ( -2.972 5.287 2.863) 6.707 5.034 ( 2.274 4.545 -6.135) 7.967 5.113 ( -0.740 4.667 -0.424) 4.745 5.206 ( -4.147 -4.655 2.606) 6.757 5.403 ( -6.322 3.625 4.603) 8.620 5.458 ( -8.224 4.227 6.189) 11.127 5.737 ( -7.093 1.020 -7.310) 10.236 6.186 ( 2.256 -5.880 1.774) 6.543 6.282 ( 0.886 -8.290 -1.249) 8.430 6.618 ( -2.002 -3.195 6.725) 7.710 6.723 ( -2.884 -3.644 -2.815) 5.433 7.452 ( 1.788 5.940 1.842) 6.471 7.614 ( 0.337 5.150 -1.376) 5.342 7.716 ( 0.820 0.651 -5.239) 5.342 7.882 ( -7.494 -0.240 0.311) 7.504 7.987 ( -1.123 2.261 0.319) 2.544 8.106 ( -6.433 1.223 0.565) 6.573 8.136 ( -3.196 -7.103 0.556) 7.809 8.263 ( -6.245 0.002 -2.352) 6.673 8.352 ( -3.001 0.537 -3.420) 4.581 8.487 ( -7.449 -0.404 -1.523) 7.613 8.613 ( -2.741 -0.005 0.961) 2.904 8.847 ( 0.102 -0.858 2.222) 2.383 8.871 ( 4.121 -5.301 2.459) 7.150 9.015 ( 5.657 3.979 -5.509) 8.842 9.085 ( 8.000 -0.171 3.639) 8.790 9.101 ( 3.670 -1.857 1.209) 4.287 9.368 ( -0.218 -3.640 0.325) 3.661 9.401 ( 4.011 -2.262 -2.569) 5.273 9.501 ( 1.339 -4.381 1.616) 4.858 9.610 ( -6.091 2.015 1.936) 6.702 9.728 ( 3.777 0.327 4.447) 5.843 9.828 ( -0.605 -2.418 6.680) 7.130 9.899 ( -3.307 -4.485 -2.170) 5.979 10.094 ( 5.587 3.978 -1.008) 6.933 10.210 ( -1.857 1.024 -9.138) 9.380 10.422 ( -1.022 -5.561 3.935) 6.889 10.521 ( -4.380 -3.168 -0.846) 5.471 10.619 ( -1.164 -4.334 -0.319) 4.499 11.182 ( 9.342 6.819 4.867) 12.548 11.344 ( 12.571 7.052 -2.331) 14.601 11.650 ( -2.338 3.704 10.746) 11.604 11.905 ( -1.667 -2.169 6.714) 7.250 12.009 ( -0.663 6.123 -7.665) 9.833 12.106 ( -1.994 0.299 -0.099) 2.019 12.254 ( 3.198 8.420 -2.341) 9.306 12.329 ( 4.053 2.586 -0.005) 4.808 12.413 ( 8.259 1.645 3.396) 9.081 12.611 ( 5.591 -1.002 -10.999) 12.380 13.015 ( -5.846 -2.693 -9.539) 11.507 13.119 ( -2.143 2.284 -0.097) 3.133 13.609 ( -0.331 -0.726 11.744) 11.771 13.794 ( 3.503 -2.043 -4.735) 6.234 13.932 ( 2.284 -2.496 -3.630) 4.962 13.995 ( 2.970 -6.108 -0.288) 6.798 14.441 ( 0.318 3.651 2.907) 4.678 14.582 ( -2.182 -1.468 3.230) 4.165 14.646 ( -6.950 2.110 -5.561) 9.148 14.710 ( 13.801 1.862 -3.152) 14.279 15.013 ( -6.655 -5.794 1.318) 8.922 15.156 ( 1.574 -2.006 -2.474) 3.553 15.469 ( -0.991 -5.775 0.549) 5.885 15.639 ( -1.553 -5.734 -1.543) 6.138 17.607 ( -1.560 0.546 12.410) 12.520 17.789 ( -2.948 -4.873 11.599) 12.922 17.981 ( -2.767 -0.369 -8.051) 8.522 18.074 ( -2.800 0.557 -6.776) 7.353 19.229 ( -6.685 1.804 4.875) 8.468 19.423 ( -8.488 -5.294 -4.256) 10.871 19.461 ( -5.427 -4.339 8.035) 10.623 19.538 ( -3.278 -1.932 -6.087) 7.178 21.731 ( -2.519 1.094 0.054) 2.747 21.979 ( -6.491 -3.843 0.516) 7.561 22.448 ( -3.733 6.802 1.656) 7.934 22.494 ( -8.783 9.157 -1.591) 12.787 23.678 ( 15.938 -5.120 0.053) 16.740 23.827 ( 7.474 -6.440 -0.239) 9.869 24.308 ( 9.153 4.634 -0.831) 10.293 24.383 ( 10.946 4.331 -4.861) 12.736 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 13.235 5.541 6.478) 15.743 2.088 ( -4.356 5.922 -2.876) 7.894 2.170 ( -5.002 5.240 -3.762) 8.163 2.260 ( 6.224 7.122 -1.520) 9.579 2.417 ( 6.222 9.604 -2.994) 11.829 2.455 ( -1.696 5.318 1.030) 5.676 2.612 ( -9.701 9.020 -1.549) 13.337 2.635 ( -4.058 5.710 -2.436) 7.417 3.005 ( 0.343 -3.264 4.331) 5.434 3.091 ( 1.512 -4.774 2.680) 5.680 3.105 ( -0.851 -5.429 -3.359) 6.440 3.196 ( -0.132 -4.074 -2.387) 4.724 3.385 ( 5.019 -1.823 -1.907) 5.670 3.401 ( -1.653 -3.376 2.417) 4.469 3.426 ( 1.034 -4.140 1.150) 4.419 3.511 ( -2.920 -4.323 -1.673) 5.479 3.561 ( 1.371 -5.104 2.286) 5.758 3.631 ( 3.055 -1.497 -3.707) 5.032 3.716 ( 5.899 -10.030 -3.867) 12.262 3.798 ( -4.212 0.338 3.602) 5.552 3.980 ( 11.505 0.015 2.909) 11.867 4.077 ( 9.293 2.812 1.894) 9.892 4.227 ( -7.028 1.753 -0.729) 7.280 4.328 ( -2.251 -0.249 -0.292) 2.283 4.441 ( 3.516 -2.154 4.711) 6.261 4.542 ( 10.456 2.161 -0.842) 10.711 4.587 ( 3.807 0.343 -2.992) 4.854 4.705 ( 5.452 -2.624 0.765) 6.098 4.777 ( -7.246 0.200 2.853) 7.790 4.880 ( -6.047 2.525 -1.179) 6.658 5.053 ( -3.055 2.479 1.849) 4.347 5.090 ( 2.343 4.769 1.644) 5.562 5.160 ( -10.268 3.691 5.672) 12.297 5.203 ( 2.258 0.844 -3.739) 4.449 5.410 ( -1.125 3.927 4.532) 6.101 5.609 ( -4.862 1.715 -9.920) 11.180 6.229 ( 1.376 -3.919 2.626) 4.914 6.286 ( -0.331 -5.927 -0.644) 5.971 6.591 ( -0.872 -2.552 6.132) 6.699 6.689 ( -0.279 -2.604 -3.332) 4.238 7.508 ( 3.041 5.885 3.830) 7.652 7.637 ( 2.684 5.062 -3.282) 6.603 7.711 ( -1.746 2.937 -7.122) 7.899 7.727 ( -7.499 1.767 0.595) 7.727 7.953 ( -2.503 -1.048 3.081) 4.106 8.006 ( -1.745 -1.426 -2.765) 3.566 8.139 ( 1.994 -2.213 1.897) 3.532 8.240 ( 3.151 -0.681 -0.399) 3.248 8.275 ( -4.980 -1.435 -4.574) 6.913 8.358 ( -4.487 -1.390 -1.859) 5.051 8.551 ( -0.706 -4.700 3.413) 5.851 8.745 ( -7.695 -0.754 -4.859) 9.132 8.990 ( 4.895 -1.496 3.121) 5.995 9.098 ( 1.371 3.697 -2.401) 4.616 9.173 ( 4.336 -1.003 4.207) 6.124 9.243 ( 6.709 -0.730 -2.711) 7.272 9.371 ( 0.490 -2.467 2.981) 3.901 9.446 ( -2.774 5.866 2.608) 6.993 9.490 ( -2.272 -8.213 -0.099) 8.522 9.508 ( 0.155 -2.767 -1.775) 3.291 9.766 ( -1.604 -4.623 8.240) 9.583 9.829 ( 1.487 -3.676 5.547) 6.819 9.901 ( 1.655 -5.195 1.099) 5.562 10.116 ( -1.709 5.982 -7.667) 9.874 10.284 ( 4.599 -6.158 0.063) 7.686 10.354 ( -0.422 -7.455 2.595) 7.905 10.484 ( -1.189 -3.126 -3.287) 4.689 10.572 ( -3.108 -4.762 -5.027) 7.590 11.382 ( 10.752 6.265 9.030) 15.375 11.575 ( 6.583 5.821 0.865) 8.830 11.590 ( 0.181 6.103 3.220) 6.902 11.784 ( -10.174 -3.748 -5.531) 12.172 11.990 ( -0.632 10.437 4.824) 11.515 12.098 ( 0.087 1.974 -0.625) 2.073 12.314 ( 2.498 10.145 0.619) 10.466 12.391 ( 2.425 -0.828 0.104) 2.565 12.546 ( 4.559 0.747 0.575) 4.656 12.676 ( 0.635 -1.241 -7.518) 7.646 12.932 ( -4.725 -5.113 3.038) 7.596 13.026 ( -3.315 -1.191 -10.140) 10.734 13.639 ( 2.600 1.860 11.631) 12.062 13.837 ( 1.244 1.766 -4.154) 4.682 14.031 ( 5.837 -2.634 -1.981) 6.703 14.091 ( 5.143 -3.747 1.952) 6.656 14.348 ( -9.271 2.804 0.417) 9.695 14.402 ( -5.546 2.813 -8.325) 10.391 14.663 ( 3.322 -8.176 3.178) 9.380 14.809 ( -5.787 -8.792 -2.565) 10.833 15.053 ( 11.332 -1.576 -1.944) 11.605 15.236 ( 1.318 -2.848 -2.723) 4.155 15.414 ( -1.331 -1.111 4.127) 4.477 15.578 ( -4.098 -3.348 -4.227) 6.773 17.596 ( 0.122 1.390 13.859) 13.929 17.738 ( -2.222 -3.424 10.081) 10.876 17.944 ( -0.853 1.070 -6.237) 6.386 18.039 ( -0.690 0.377 -8.178) 8.216 19.138 ( -2.490 2.705 5.512) 6.626 19.293 ( -4.304 -0.556 -6.468) 7.789 19.377 ( -3.040 -1.787 8.312) 9.029 19.500 ( -0.214 -1.751 -6.208) 6.453 21.741 ( 3.245 -1.952 0.230) 3.794 21.846 ( -6.687 -3.656 -0.031) 7.621 22.365 ( -2.476 6.788 1.393) 7.359 22.393 ( -2.748 5.835 -1.000) 6.526 23.889 ( 4.905 -4.820 3.223) 7.595 23.944 ( 3.817 -6.486 -0.730) 7.561 24.444 ( 4.064 4.299 0.145) 5.917 24.527 ( 4.283 2.118 -7.090) 8.550 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -11.288 8.802 10.765) 17.910 2.127 ( -3.516 3.812 -6.430) 8.261 2.253 ( 6.131 2.823 -4.436) 8.077 2.275 ( 0.648 6.634 -3.896) 7.721 2.333 ( -6.361 9.128 2.569) 11.418 2.522 ( -1.548 6.005 -3.145) 6.953 2.603 ( 7.448 9.717 -0.948) 12.280 2.630 ( 8.146 8.556 -2.357) 12.047 3.002 ( -0.638 -3.343 3.723) 5.044 3.089 ( -0.581 -5.076 -0.480) 5.132 3.124 ( 1.244 -3.591 0.856) 3.896 3.206 ( 1.136 -5.796 -3.511) 6.871 3.337 ( -3.787 -5.662 2.814) 7.370 3.367 ( -4.649 -2.731 2.257) 5.846 3.446 ( -2.123 -3.368 -1.309) 4.191 3.517 ( 1.267 -2.185 1.589) 2.984 3.550 ( 2.737 -8.420 -2.716) 9.261 3.658 ( -8.545 -0.445 2.011) 8.790 3.712 ( 3.266 -2.589 -6.532) 7.748 3.848 ( 4.547 -9.734 -2.168) 10.960 3.970 ( -14.450 5.868 2.403) 15.780 4.171 ( -4.001 -1.507 -1.518) 4.536 4.198 ( 0.780 2.335 0.920) 2.628 4.235 ( 6.424 -2.829 4.080) 8.119 4.427 ( -2.620 0.955 5.719) 6.362 4.520 ( -15.723 -0.393 0.253) 15.729 4.628 ( -7.748 4.202 2.076) 9.056 4.661 ( -4.959 -1.442 -0.476) 5.186 4.809 ( 9.326 -0.111 -0.679) 9.352 4.869 ( 6.683 4.016 0.100) 7.798 4.989 ( -0.945 3.943 5.479) 6.816 5.093 ( 0.605 -0.326 1.287) 1.459 5.170 ( 4.076 2.320 -2.850) 5.488 5.322 ( 10.687 3.364 -1.680) 11.329 5.416 ( 2.510 3.750 3.348) 5.619 5.571 ( 0.736 1.589 -8.804) 8.976 6.219 ( -2.068 -4.515 3.434) 6.038 6.277 ( -0.881 -6.191 0.401) 6.266 6.593 ( 1.101 -1.843 4.428) 4.921 6.710 ( 2.220 -2.154 -3.749) 4.861 7.533 ( -1.050 5.089 2.554) 5.790 7.592 ( -3.565 2.675 2.361) 5.044 7.662 ( -0.939 5.520 -4.776) 7.359 7.769 ( 6.610 3.684 -3.206) 8.218 7.923 ( 0.166 -2.510 2.179) 3.328 8.041 ( 4.747 -1.387 -3.603) 6.119 8.137 ( -1.711 0.977 2.312) 3.038 8.260 ( 3.221 -6.524 -3.236) 7.963 8.261 ( -3.100 -4.147 -2.244) 5.643 8.362 ( 6.907 3.132 -2.252) 7.911 8.619 ( 2.754 -1.600 3.228) 4.535 8.638 ( 1.849 -1.995 -1.135) 2.948 9.006 ( -3.911 -0.647 3.079) 5.020 9.092 ( -1.294 2.500 -2.899) 4.041 9.177 ( -3.529 -0.712 2.998) 4.685 9.253 ( -6.127 -0.431 -2.654) 6.691 9.389 ( 1.899 -1.939 1.327) 3.021 9.454 ( -3.013 -5.251 0.482) 6.074 9.483 ( 5.766 2.519 -0.737) 6.335 9.520 ( 1.944 -3.164 -0.506) 3.748 9.708 ( -2.886 -9.369 10.053) 14.042 9.853 ( 0.615 -3.073 8.903) 9.439 9.913 ( -0.703 -3.668 -2.686) 4.600 10.106 ( 0.424 5.490 -6.717) 8.686 10.220 ( -5.772 -4.448 4.205) 8.413 10.421 ( -3.250 -5.796 3.700) 7.606 10.520 ( 8.768 -6.775 -9.869) 14.839 10.551 ( 2.398 -1.965 -4.327) 5.323 11.465 ( -8.715 8.823 4.896) 13.333 11.531 ( -6.244 2.360 0.475) 6.692 11.616 ( 4.354 2.741 3.236) 6.078 11.764 ( 7.404 4.806 -6.747) 11.110 11.963 ( -2.441 6.330 7.477) 10.096 12.093 ( -0.730 1.576 -0.211) 1.750 12.336 ( -0.285 8.448 5.664) 10.175 12.430 ( 0.795 3.287 -8.013) 8.697 12.546 ( -4.673 -3.609 -1.158) 6.017 12.668 ( 0.258 0.495 -1.096) 1.230 12.781 ( -7.403 -7.366 2.280) 10.689 13.087 ( 6.518 1.367 -6.562) 9.350 13.670 ( -0.378 0.607 10.334) 10.358 13.829 ( -1.998 0.728 -4.031) 4.557 14.031 ( -9.215 0.558 -3.016) 9.712 14.151 ( 1.803 -4.632 -1.957) 5.342 14.253 ( 2.561 3.508 4.357) 6.152 14.372 ( 2.567 0.500 -2.048) 3.322 14.724 ( 2.956 -7.135 -1.984) 7.974 14.818 ( 6.264 -6.858 -4.410) 10.281 15.050 ( -13.158 -2.180 -0.456) 13.346 15.204 ( -0.064 -5.395 -0.384) 5.409 15.436 ( 0.322 -0.753 2.535) 2.664 15.580 ( 4.866 -2.029 -4.797) 7.128 17.612 ( 1.048 0.315 13.706) 13.749 17.726 ( 0.949 -1.857 9.859) 10.077 17.940 ( 0.386 2.052 -5.872) 6.232 18.040 ( 1.020 -1.522 -8.196) 8.398 19.142 ( 2.815 2.321 7.308) 8.168 19.263 ( 1.408 1.017 -6.210) 6.448 19.359 ( 1.001 -0.511 7.135) 7.223 19.537 ( 4.204 -3.682 -6.574) 8.629 21.740 ( -3.317 -1.909 0.315) 3.840 21.848 ( 6.823 -3.789 -0.157) 7.806 22.362 ( 2.044 7.157 1.370) 7.568 22.399 ( 3.319 5.618 -1.121) 6.621 23.864 ( -7.132 -4.269 4.216) 9.320 23.950 ( -3.479 -6.674 -0.378) 7.536 24.440 ( -4.368 4.353 -0.269) 6.172 24.551 ( -1.913 1.554 -8.065) 8.433 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -3.198 14.742 18.779) 24.087 1.996 ( -10.872 13.342 6.249) 18.310 2.082 ( -5.251 11.123 -12.565) 17.584 2.238 ( -6.818 9.755 -11.127) 16.293 2.447 ( 8.658 1.040 -1.559) 8.859 2.622 ( 7.230 1.999 -1.111) 7.583 2.699 ( 2.733 8.986 0.121) 9.394 2.800 ( 7.606 3.828 -2.561) 8.892 2.985 ( -1.139 -3.560 5.333) 6.513 3.075 ( -2.128 -4.330 -0.408) 4.842 3.110 ( -2.654 -0.363 1.897) 3.283 3.196 ( -3.327 -7.227 -0.300) 7.962 3.278 ( -1.643 -6.579 2.552) 7.245 3.331 ( 0.350 -3.074 0.548) 3.142 3.360 ( -3.223 -1.383 -6.654) 7.521 3.423 ( -12.218 3.010 7.874) 14.844 3.568 ( -1.989 -3.968 2.991) 5.352 3.591 ( 0.789 -2.681 -2.012) 3.444 3.679 ( -7.758 -3.128 1.145) 8.443 3.776 ( 1.828 -0.016 -7.440) 7.662 3.880 ( -2.266 -5.694 -3.241) 6.933 4.003 ( -11.251 3.079 -12.369) 17.002 4.120 ( -10.324 -2.731 2.000) 10.865 4.256 ( -2.549 1.845 5.071) 5.968 4.308 ( -10.797 -1.503 5.361) 12.148 4.390 ( -1.454 -0.414 1.962) 2.477 4.544 ( 5.421 -0.584 1.039) 5.550 4.636 ( 3.588 -2.143 3.309) 5.331 4.907 ( -3.761 1.454 0.490) 4.062 4.923 ( 3.144 2.132 3.139) 4.928 5.024 ( 3.475 6.875 -2.114) 7.988 5.092 ( 0.682 -3.007 0.859) 3.201 5.269 ( 4.452 3.356 -3.805) 6.750 5.507 ( 3.400 1.034 1.216) 3.756 5.548 ( 11.498 0.650 -0.148) 11.517 5.619 ( 5.716 2.913 -2.758) 6.983 6.178 ( -1.813 -6.785 3.117) 7.684 6.252 ( -1.409 -8.554 0.858) 8.712 6.632 ( 2.472 -2.229 3.969) 5.180 6.758 ( 2.611 -2.962 -4.379) 5.896 7.503 ( -0.660 5.605 -3.085) 6.432 7.569 ( -1.088 2.735 3.480) 4.558 7.651 ( 0.955 3.567 1.283) 3.909 7.884 ( 4.751 0.840 -0.497) 4.850 7.942 ( 1.216 0.568 2.242) 2.613 8.156 ( 4.156 -3.328 -0.984) 5.414 8.168 ( 7.377 1.521 -4.518) 8.783 8.247 ( 3.356 -3.467 -0.687) 4.874 8.323 ( 2.353 -3.298 -1.203) 4.226 8.510 ( 7.350 5.554 -3.191) 9.750 8.642 ( 1.882 -3.683 -0.969) 4.248 8.755 ( 3.016 5.559 7.573) 9.866 8.906 ( -3.123 -7.277 1.630) 8.085 8.981 ( -8.370 1.946 -1.504) 8.724 9.106 ( -5.722 2.358 -1.859) 6.462 9.163 ( -1.351 -4.029 -1.279) 4.437 9.329 ( -5.416 -3.071 2.995) 6.909 9.389 ( -4.334 -7.307 -1.159) 8.574 9.526 ( 0.772 -1.211 -1.002) 1.751 9.635 ( 6.131 -2.319 1.558) 6.738 9.727 ( 3.753 -0.347 4.419) 5.808 9.847 ( -1.634 -0.285 2.501) 3.001 9.896 ( 0.631 -3.657 -0.206) 3.716 10.072 ( -6.474 1.964 0.656) 6.797 10.133 ( 0.786 2.133 -1.020) 2.492 10.376 ( -2.151 -4.564 4.355) 6.665 10.576 ( 2.352 0.861 -2.707) 3.688 10.724 ( 9.736 -6.864 -9.629) 15.317 11.238 ( -13.410 8.916 1.765) 16.200 11.341 ( -10.550 5.408 -5.824) 13.208 11.763 ( 6.073 1.461 10.962) 12.617 11.846 ( 1.359 5.407 -4.421) 7.115 11.905 ( -3.799 -1.672 9.864) 10.702 12.074 ( -0.635 5.982 0.284) 6.022 12.306 ( -5.138 4.692 6.835) 9.753 12.370 ( -3.865 4.297 -10.383) 11.883 12.424 ( -5.671 -1.520 -9.228) 10.937 12.662 ( -6.069 -5.141 -5.157) 9.480 12.749 ( 7.226 1.490 7.874) 10.791 13.198 ( 4.151 4.935 -4.804) 8.041 13.642 ( -2.106 -3.275 9.623) 10.381 13.799 ( 0.238 -3.268 -2.696) 4.243 13.870 ( -6.063 0.992 -3.181) 6.918 14.049 ( -5.983 -6.872 -2.991) 9.590 14.424 ( 1.085 3.739 4.370) 5.853 14.447 ( 6.956 3.645 6.935) 10.477 14.702 ( -7.022 5.061 -5.058) 10.025 14.811 ( -0.189 -5.483 -9.028) 10.564 14.956 ( 0.005 -3.547 2.999) 4.645 15.197 ( 4.548 -7.198 -3.023) 9.035 15.466 ( 1.205 -4.356 1.078) 4.647 15.635 ( 0.133 -4.212 -1.669) 4.533 17.642 ( 1.576 -1.532 10.794) 11.015 17.773 ( 3.112 -2.466 12.878) 13.476 17.957 ( 1.878 2.265 -7.604) 8.153 18.078 ( 3.143 -3.302 -6.744) 8.140 19.248 ( 7.751 -0.567 9.910) 12.594 19.338 ( 6.098 0.448 -5.554) 8.260 19.405 ( 2.944 -0.230 6.267) 6.928 19.646 ( 6.700 -8.014 -6.826) 12.478 21.727 ( 2.303 1.075 0.358) 2.567 21.987 ( 7.006 -4.078 -0.096) 8.107 22.438 ( 4.270 8.309 1.861) 9.526 22.504 ( 7.835 8.188 -1.848) 11.482 23.633 ( -16.037 -3.657 3.283) 16.773 23.828 ( -8.124 -7.194 -0.052) 10.852 24.302 ( -9.068 4.937 -1.032) 10.376 24.436 ( -9.856 2.715 -8.341) 13.194 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 5.281 18.520 22.320) 29.480 1.786 ( -8.766 19.363 14.440) 25.696 2.087 ( 3.960 12.720 -18.610) 22.887 2.105 ( -4.986 13.012 -15.031) 20.496 2.513 ( -6.599 8.941 5.605) 12.446 2.687 ( -0.747 2.959 3.146) 4.383 2.744 ( 2.511 5.188 -1.135) 5.874 2.805 ( -1.463 1.624 5.306) 5.739 2.945 ( -4.791 1.901 5.299) 7.392 3.016 ( 0.208 -2.750 5.309) 5.982 3.116 ( -3.744 -4.827 0.566) 6.135 3.152 ( 5.605 -1.802 -3.767) 6.989 3.217 ( -3.749 0.474 2.668) 4.626 3.260 ( -2.722 -5.652 -3.834) 7.352 3.344 ( 1.128 -4.777 -6.437) 8.094 3.404 ( 3.296 -2.257 -5.260) 6.605 3.441 ( -6.338 -3.630 -1.653) 7.489 3.590 ( -3.972 -4.838 1.954) 6.558 3.638 ( 1.279 -2.483 -0.523) 2.842 3.674 ( -9.487 6.119 -13.120) 17.308 3.841 ( -2.438 -1.465 0.276) 2.858 3.886 ( 0.594 -6.126 -4.117) 7.405 3.985 ( -1.214 -2.467 -0.586) 2.811 4.078 ( -11.279 -4.787 2.300) 12.467 4.260 ( 0.066 0.884 5.615) 5.685 4.311 ( -4.157 1.751 1.034) 4.628 4.677 ( 2.090 -2.921 8.747) 9.455 4.741 ( 7.201 -4.094 -0.869) 8.329 4.860 ( 1.887 1.410 -2.757) 3.626 4.976 ( 1.223 -2.005 -0.699) 2.450 5.031 ( -0.208 4.836 4.274) 6.457 5.132 ( 1.491 3.779 -2.521) 4.781 5.323 ( 1.383 3.979 -0.272) 4.221 5.495 ( -2.969 0.067 -5.281) 6.059 5.729 ( 5.981 -2.328 6.418) 9.076 5.765 ( 7.578 1.964 -1.866) 8.048 6.159 ( -0.219 -8.318 3.188) 8.910 6.230 ( -0.795 -10.786 -0.921) 10.854 6.674 ( 1.468 -4.150 5.638) 7.153 6.804 ( 2.172 -4.918 -5.697) 7.833 7.497 ( -0.339 4.200 -2.975) 5.158 7.534 ( -2.060 -0.821 1.116) 2.482 7.726 ( 6.687 3.884 1.978) 7.982 7.924 ( -1.541 3.977 3.193) 5.327 8.020 ( 8.241 0.673 1.379) 8.383 8.252 ( 4.337 -4.497 -2.679) 6.798 8.299 ( 5.154 -1.748 -4.201) 6.875 8.348 ( 0.395 0.582 -0.905) 1.146 8.372 ( 7.905 0.955 4.400) 9.098 8.556 ( -4.574 0.644 -1.616) 4.893 8.624 ( 0.889 4.491 -1.947) 4.975 8.729 ( -7.555 -1.728 4.422) 8.922 8.846 ( -0.827 1.363 1.784) 2.393 8.966 ( -8.050 1.886 -3.494) 8.976 8.971 ( 4.437 -2.973 0.517) 5.366 9.172 ( 2.501 -6.525 -4.428) 8.273 9.261 ( -2.136 0.031 1.923) 2.874 9.311 ( -2.450 -4.713 1.083) 5.421 9.503 ( -3.414 -2.917 -0.314) 4.502 9.654 ( -4.783 -6.228 -3.076) 8.434 9.782 ( 1.200 2.765 3.875) 4.909 9.857 ( 2.834 5.112 -1.289) 5.985 9.938 ( 2.915 4.581 3.615) 6.523 10.057 ( 7.612 -1.217 1.560) 7.865 10.149 ( -0.392 3.094 2.310) 3.881 10.332 ( -1.761 -2.048 1.513) 3.096 10.616 ( 1.502 3.035 -1.130) 3.570 10.841 ( -2.033 -6.415 -11.793) 13.578 11.018 ( -5.590 11.911 3.697) 13.667 11.135 ( -9.220 5.749 -6.025) 12.424 11.750 ( -5.996 -0.070 10.744) 12.304 11.840 ( -1.057 5.270 -2.170) 5.796 11.919 ( 4.603 -6.219 16.327) 18.067 12.083 ( 1.248 7.252 -4.698) 8.730 12.168 ( -5.886 5.628 8.500) 11.772 12.274 ( -5.723 3.972 -8.773) 11.202 12.392 ( 0.266 -1.928 -12.817) 12.964 12.526 ( -6.850 -2.205 -11.716) 13.750 12.892 ( 6.351 3.057 9.402) 11.751 13.238 ( 0.474 4.264 -7.648) 8.770 13.626 ( 1.218 -3.567 8.241) 9.063 13.794 ( -2.013 -0.077 1.666) 2.614 13.858 ( 4.955 -4.691 -3.037) 7.468 13.998 ( 1.220 -4.114 -1.467) 4.535 14.228 ( -13.495 5.388 2.327) 14.716 14.431 ( -10.352 5.224 -4.945) 12.606 14.727 ( 5.549 2.118 7.197) 9.331 14.868 ( 7.322 -0.517 -8.417) 11.168 15.008 ( 4.155 -2.925 6.613) 8.340 15.258 ( -1.522 -8.028 -3.233) 8.787 15.501 ( 3.612 -5.397 -2.012) 6.799 15.594 ( -3.524 -5.505 -0.289) 6.543 17.667 ( 0.549 -1.492 11.626) 11.734 17.826 ( 1.757 -3.570 5.490) 6.780 18.017 ( 4.063 -0.637 -2.122) 4.628 18.146 ( 3.456 -4.296 -5.942) 8.106 19.424 ( 8.180 -5.416 10.284) 14.213 19.454 ( 3.608 -2.187 6.072) 7.394 19.469 ( 5.741 -1.023 -3.494) 6.798 19.764 ( 4.733 -14.176 -6.487) 16.292 21.839 ( 9.237 4.405 1.005) 10.283 22.103 ( 4.541 -2.417 -0.657) 5.186 22.480 ( 0.406 8.196 0.171) 8.208 22.634 ( 0.743 10.604 -0.607) 10.647 23.354 ( -7.166 -0.929 0.587) 7.250 23.670 ( -8.315 -6.821 -0.645) 10.774 24.123 ( -8.430 5.686 -1.371) 10.261 24.193 ( -13.353 6.459 -6.287) 16.111 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -2.156 16.620 16.736) 23.684 2.167 ( -2.189 19.320 14.317) 24.146 2.325 ( 0.470 13.736 -10.917) 17.552 2.447 ( 7.152 9.988 -9.705) 15.656 2.574 ( -7.364 -3.347 4.055) 9.048 2.658 ( 5.709 3.323 -2.480) 7.056 2.765 ( -0.643 -5.057 4.946) 7.102 2.854 ( 4.003 -3.516 -0.226) 5.333 2.913 ( -0.773 0.882 -2.014) 2.331 2.945 ( -2.728 -4.212 -3.875) 6.341 3.061 ( -0.595 5.421 6.950) 8.834 3.144 ( -3.855 0.150 1.081) 4.006 3.185 ( 1.522 -1.037 1.149) 2.171 3.246 ( -2.309 -2.610 -7.134) 7.940 3.252 ( -2.384 -0.121 -1.565) 2.855 3.316 ( 2.336 2.189 -5.604) 6.454 3.464 ( -0.136 -0.653 2.253) 2.350 3.495 ( 4.397 -1.596 -0.721) 4.733 3.568 ( -0.932 -0.725 -0.364) 1.236 3.617 ( -1.164 -2.178 -4.074) 4.764 3.762 ( 1.827 -2.967 -1.533) 3.807 3.787 ( -0.379 1.086 -2.532) 2.781 3.945 ( 0.529 2.474 0.724) 2.631 3.987 ( -1.068 -1.053 -0.727) 1.667 4.266 ( -0.668 1.538 4.718) 5.008 4.311 ( 3.340 0.481 0.294) 3.387 4.536 ( -1.082 -10.200 4.194) 11.082 4.592 ( -1.457 -16.252 0.672) 16.331 4.914 ( 1.086 -0.082 -2.435) 2.668 4.946 ( 1.573 0.142 -6.507) 6.696 5.220 ( 2.389 6.338 2.766) 7.317 5.224 ( -3.977 7.080 3.040) 8.671 5.393 ( -4.562 -2.102 0.944) 5.111 5.423 ( 2.422 2.466 -0.496) 3.492 5.710 ( -0.450 -2.147 6.159) 6.538 5.841 ( 1.592 -4.131 -4.568) 6.361 6.072 ( 0.883 -2.078 0.518) 2.317 6.077 ( -0.140 -3.417 -0.022) 3.420 6.596 ( -0.890 -2.920 4.297) 5.271 6.691 ( -0.331 -7.034 -4.201) 8.200 7.498 ( -0.571 1.795 0.145) 1.890 7.534 ( 0.381 0.149 -2.956) 2.984 7.931 ( 3.024 2.863 2.950) 5.103 7.984 ( -1.012 7.642 -1.159) 7.795 8.118 ( 2.365 -5.159 4.565) 7.283 8.216 ( -3.154 -0.661 1.895) 3.739 8.245 ( -2.754 -4.804 -4.738) 7.288 8.279 ( 1.715 -4.453 -3.266) 5.782 8.555 ( 1.255 0.704 0.609) 1.562 8.599 ( 0.325 -0.585 -2.963) 3.038 8.625 ( 1.787 4.033 4.292) 6.154 8.661 ( -0.870 2.352 0.155) 2.513 8.804 ( -5.447 1.141 0.743) 5.614 8.839 ( 2.586 0.373 -2.282) 3.469 9.081 ( 1.302 0.258 2.145) 2.523 9.150 ( 3.020 -0.549 -3.524) 4.674 9.161 ( 1.418 -3.994 5.412) 6.874 9.286 ( -7.558 -3.766 -2.668) 8.855 9.441 ( -1.243 0.134 -1.377) 1.860 9.445 ( 3.059 -2.068 -0.054) 3.693 9.875 ( 0.210 7.252 7.362) 10.336 10.023 ( -1.784 7.176 -5.264) 9.077 10.115 ( 0.072 -0.047 3.993) 3.994 10.142 ( 0.316 3.341 4.854) 5.901 10.255 ( 6.205 0.138 5.619) 8.373 10.298 ( 2.011 -2.561 -2.441) 4.070 10.639 ( -3.030 0.104 -5.982) 6.706 10.678 ( -4.977 -0.315 -8.668) 10.001 11.098 ( -2.195 2.734 -0.677) 3.571 11.114 ( 0.655 1.363 -0.775) 1.699 11.674 ( 1.643 2.173 12.902) 13.186 11.869 ( 5.118 -7.292 12.178) 15.089 11.941 ( -1.699 6.052 -7.795) 10.013 12.152 ( -6.203 -0.598 -3.022) 6.926 12.254 ( 0.956 0.513 -3.415) 3.583 12.275 ( 0.968 4.385 -4.359) 6.259 12.347 ( 0.262 6.688 -3.163) 7.403 12.446 ( 0.846 0.094 -6.415) 6.472 13.071 ( 3.666 3.468 4.361) 6.669 13.203 ( -3.057 -2.564 -6.537) 7.658 13.676 ( 1.227 2.776 8.566) 9.088 13.761 ( -1.102 -0.846 0.935) 1.675 13.874 ( 2.071 -5.364 -1.950) 6.071 13.919 ( 2.520 -4.730 -6.125) 8.139 14.287 ( 0.497 9.611 1.220) 9.701 14.337 ( -5.350 6.262 -3.410) 8.915 14.787 ( 0.425 -0.613 7.539) 7.576 14.920 ( 3.107 -6.786 -4.973) 8.968 15.011 ( 0.013 -2.370 6.757) 7.161 15.072 ( -2.396 -4.789 2.078) 5.744 15.435 ( -1.796 -2.039 -2.845) 3.934 15.483 ( 1.847 -4.487 -5.603) 7.412 17.665 ( -0.552 0.831 12.657) 12.696 17.768 ( -0.209 -4.147 9.330) 10.212 18.016 ( 0.345 -1.584 -5.869) 6.089 18.098 ( 0.722 -4.677 -7.816) 9.137 19.422 ( 0.992 -2.472 7.397) 7.862 19.446 ( -1.779 -0.581 3.833) 4.265 19.521 ( 1.681 -2.290 -3.332) 4.379 19.560 ( -1.066 -7.029 -5.550) 9.019 22.064 ( 1.519 2.089 3.076) 4.016 22.109 ( -1.883 -0.270 -0.939) 2.122 22.641 ( -3.632 5.454 0.095) 6.554 22.665 ( 4.049 4.190 -2.017) 6.166 23.401 ( -1.555 -0.635 1.914) 2.546 23.460 ( 2.536 -3.409 -3.703) 5.636 24.128 ( -1.000 5.236 0.165) 5.333 24.159 ( -0.063 4.046 -3.062) 5.074 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -3.237 16.577 15.454) 22.893 2.151 ( 2.950 18.836 11.052) 22.038 2.358 ( 1.780 10.470 -7.989) 13.290 2.417 ( -5.324 8.171 -6.975) 11.990 2.566 ( 2.318 1.041 -3.077) 3.991 2.726 ( -1.861 -4.258 2.291) 5.181 2.741 ( -3.638 2.035 -1.916) 4.588 2.857 ( -0.254 -3.000 3.133) 4.345 2.922 ( -0.225 -4.067 3.122) 5.132 2.944 ( 3.520 -2.650 -6.046) 7.481 3.078 ( -1.774 -0.454 1.221) 2.202 3.124 ( 5.722 4.787 4.176) 8.550 3.166 ( -2.395 -4.440 -4.107) 6.505 3.202 ( -1.366 -2.666 -1.729) 3.458 3.280 ( 5.073 -4.616 1.031) 6.936 3.365 ( 2.228 4.154 -1.982) 5.113 3.470 ( -1.819 -7.430 -0.899) 7.702 3.553 ( 3.380 2.136 -0.330) 4.012 3.569 ( 3.590 1.104 1.160) 3.930 3.720 ( 7.217 2.203 -1.352) 7.665 3.785 ( 5.146 5.369 -6.917) 10.156 3.865 ( -2.455 2.795 0.717) 3.788 3.935 ( 5.414 -1.413 0.967) 5.678 4.028 ( 7.726 -3.129 -2.246) 8.632 4.281 ( 1.912 -1.517 3.414) 4.197 4.398 ( 4.366 -1.706 -4.309) 6.367 4.554 ( 2.504 -4.309 5.056) 7.099 4.609 ( 1.082 -12.700 4.667) 13.574 4.871 ( -4.198 -0.312 -3.229) 5.306 4.954 ( 1.059 -1.277 -8.368) 8.531 5.123 ( -4.521 3.781 4.964) 7.706 5.261 ( -7.260 -1.491 3.114) 8.039 5.269 ( 0.274 7.865 2.726) 8.328 5.491 ( 1.789 1.166 1.678) 2.716 5.654 ( -5.210 1.026 3.969) 6.629 5.824 ( -3.095 -3.478 -4.869) 6.737 6.074 ( 1.082 -1.770 -0.376) 2.109 6.111 ( 2.475 -4.096 -0.447) 4.806 6.580 ( -0.808 -2.551 4.932) 5.611 6.671 ( -1.657 -6.311 -2.896) 7.138 7.527 ( 3.168 4.042 0.886) 5.211 7.585 ( 4.627 -0.166 -2.836) 5.429 7.820 ( -7.107 4.768 -2.387) 8.885 8.026 ( -8.028 -1.987 1.029) 8.334 8.078 ( 2.979 3.166 -0.220) 4.353 8.095 ( -6.157 -0.536 2.443) 6.646 8.194 ( -5.245 -5.219 -1.215) 7.498 8.336 ( 1.852 -6.432 -5.654) 8.762 8.487 ( -8.432 2.262 -0.285) 8.735 8.522 ( -4.587 2.630 2.028) 5.664 8.653 ( 0.064 -1.022 0.456) 1.121 8.721 ( 4.489 -0.852 1.511) 4.812 8.842 ( 10.098 -0.187 1.607) 10.227 8.916 ( -3.303 -0.875 1.931) 3.925 8.979 ( -0.413 4.672 -0.746) 4.749 9.145 ( -1.186 -0.373 -5.346) 5.489 9.229 ( 3.450 -4.659 1.885) 6.096 9.299 ( 2.699 -8.019 6.289) 10.543 9.372 ( -0.484 3.924 -1.938) 4.403 9.574 ( 5.962 -2.316 -1.091) 6.488 9.872 ( -0.498 8.106 6.017) 10.107 9.934 ( -4.748 7.064 -0.830) 8.552 10.074 ( -2.497 0.990 -1.878) 3.278 10.102 ( -8.346 5.805 3.358) 10.706 10.244 ( -1.010 -4.105 -3.101) 5.243 10.333 ( -1.199 -5.365 4.016) 6.808 10.564 ( -3.830 -2.257 -2.786) 5.246 10.585 ( -5.276 -1.422 -6.079) 8.173 11.153 ( 6.270 4.014 1.484) 7.591 11.199 ( 8.464 1.289 2.170) 8.833 11.725 ( 1.308 4.813 11.815) 12.824 11.947 ( 1.239 2.805 -5.388) 6.199 12.002 ( 5.440 -6.750 10.193) 13.381 12.033 ( -1.229 -0.655 -7.846) 7.969 12.303 ( 3.679 2.460 -3.101) 5.404 12.329 ( 3.416 1.732 -2.374) 4.506 12.384 ( 4.375 10.019 -0.545) 10.947 12.510 ( 5.126 1.579 -9.345) 10.775 13.107 ( -4.138 -1.166 1.226) 4.470 13.142 ( -0.020 -0.296 -2.018) 2.040 13.652 ( -2.867 2.287 7.463) 8.315 13.731 ( -0.852 0.464 0.363) 1.036 13.844 ( -1.125 -5.903 -4.609) 7.574 13.928 ( -2.827 -4.413 -6.694) 8.502 14.381 ( 8.537 5.938 2.500) 10.695 14.430 ( 11.162 5.465 1.442) 12.511 14.726 ( -5.630 1.624 1.985) 6.186 14.929 ( -7.013 -0.978 -5.338) 8.867 14.985 ( 0.314 -6.965 5.618) 8.954 15.024 ( -1.604 -5.645 0.365) 5.880 15.410 ( -0.696 -0.906 -2.517) 2.764 15.511 ( 1.306 -5.768 -2.506) 6.423 17.646 ( -1.567 0.990 12.339) 12.478 17.748 ( -2.027 -4.241 10.823) 11.799 18.009 ( -0.808 -0.575 -7.369) 7.435 18.090 ( -1.108 -3.483 -8.186) 8.965 19.372 ( -5.525 0.070 3.740) 6.672 19.405 ( -2.850 -4.106 6.548) 8.237 19.491 ( -3.620 -2.958 -3.289) 5.715 19.538 ( -1.498 -3.224 -4.596) 5.810 21.931 ( -9.806 4.007 0.491) 10.604 22.043 ( -5.927 -2.112 1.040) 6.377 22.615 ( -0.481 6.831 0.267) 6.853 22.756 ( -1.492 0.992 -0.884) 1.998 23.381 ( 6.618 2.355 -0.636) 7.054 23.563 ( 6.188 -6.490 -1.503) 9.092 24.213 ( 8.364 4.596 -0.719) 9.571 24.257 ( 8.806 3.160 -2.024) 9.573 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.624 14.453 10.484) 18.047 2.242 ( 2.273 12.029 0.413) 12.249 2.298 ( 0.041 3.043 -0.769) 3.139 2.463 ( -8.304 5.202 -2.998) 10.247 2.488 ( 4.603 10.894 -5.364) 12.986 2.612 ( -6.103 1.588 2.395) 6.746 2.729 ( 1.096 2.061 2.000) 3.074 2.840 ( -3.092 -2.279 0.894) 3.944 2.927 ( 1.754 -4.566 5.353) 7.251 3.017 ( 2.538 0.295 -4.861) 5.492 3.046 ( -1.770 0.009 0.084) 1.772 3.136 ( -0.419 -4.221 -3.815) 5.705 3.221 ( 4.269 -7.328 -3.215) 9.070 3.254 ( 4.941 -2.146 -0.369) 5.399 3.326 ( -0.039 -2.565 0.450) 2.604 3.423 ( 2.183 -2.846 1.433) 3.863 3.452 ( 3.063 -5.545 -2.451) 6.793 3.552 ( -3.929 -3.982 -1.126) 5.707 3.622 ( -1.275 1.488 4.528) 4.934 3.759 ( -0.593 -4.309 -2.843) 5.196 3.933 ( 9.955 5.651 -7.926) 13.923 3.951 ( 9.056 11.781 6.424) 16.189 4.116 ( 11.698 -0.996 -0.305) 11.744 4.224 ( 10.067 -3.525 0.201) 10.668 4.348 ( 5.493 -3.131 -2.244) 6.709 4.494 ( 6.169 -1.318 0.082) 6.309 4.538 ( -3.731 1.247 -0.534) 3.970 4.596 ( -1.665 -2.504 3.176) 4.373 4.822 ( -0.560 -0.850 0.825) 1.310 5.022 ( 0.329 -3.419 0.605) 3.488 5.073 ( 3.028 1.265 0.266) 3.293 5.121 ( -5.897 -0.461 2.215) 6.316 5.226 ( -4.164 6.123 1.583) 7.572 5.423 ( -9.502 -1.897 5.818) 11.302 5.561 ( -3.624 6.225 0.899) 7.259 5.733 ( -5.830 -1.735 -5.877) 8.458 6.123 ( 3.736 -1.099 -0.323) 3.907 6.168 ( 3.125 -3.623 -0.295) 4.793 6.566 ( -0.929 -1.925 4.730) 5.191 6.634 ( -1.690 -4.957 -2.106) 5.645 7.593 ( 2.834 8.247 1.522) 8.852 7.680 ( 3.727 2.242 -2.372) 4.954 7.740 ( -0.232 1.092 -5.189) 5.308 7.877 ( -5.678 -1.675 0.122) 5.921 7.970 ( -6.322 -2.493 1.243) 6.909 8.052 ( -7.674 -3.440 -2.397) 8.744 8.114 ( -0.063 2.302 0.833) 2.449 8.261 ( -6.815 -1.532 -6.433) 9.496 8.364 ( -4.842 0.898 -2.135) 5.367 8.428 ( -3.705 -1.633 3.461) 5.327 8.643 ( -9.894 0.087 -2.158) 10.127 8.710 ( 1.373 -7.216 3.469) 8.124 8.886 ( 4.358 1.600 3.160) 5.616 9.034 ( 7.569 -1.407 3.368) 8.403 9.086 ( 6.944 0.077 0.138) 6.946 9.153 ( 2.869 3.938 -3.491) 5.994 9.286 ( -0.800 -5.270 3.421) 6.334 9.310 ( 4.124 -4.497 -2.093) 6.450 9.404 ( 1.168 0.462 5.357) 5.503 9.642 ( -0.243 -2.968 -3.806) 4.833 9.846 ( -2.503 8.597 1.073) 9.018 9.891 ( -5.106 6.197 1.622) 8.192 9.902 ( -2.559 7.358 5.674) 9.638 10.092 ( 3.841 -2.223 -2.354) 5.024 10.231 ( -2.354 -4.704 3.356) 6.239 10.255 ( -5.315 -6.118 0.413) 8.115 10.452 ( -5.054 -4.340 -7.684) 10.170 10.510 ( -3.839 -6.924 -4.265) 8.993 11.304 ( 8.810 5.072 4.821) 11.251 11.400 ( 10.865 -0.301 3.801) 11.515 11.719 ( -1.561 4.167 9.635) 10.612 11.867 ( -5.764 -1.902 -3.554) 7.034 12.081 ( 5.202 2.614 -0.346) 5.832 12.135 ( 3.273 1.260 2.345) 4.219 12.369 ( 2.550 3.707 -1.827) 4.857 12.411 ( 5.383 3.236 -7.774) 9.994 12.495 ( 6.092 7.522 2.668) 10.040 12.610 ( 5.054 0.860 -9.653) 10.930 12.964 ( -8.683 -1.600 0.719) 8.858 13.110 ( -5.279 -3.928 0.374) 6.591 13.634 ( 1.778 3.150 7.797) 8.595 13.759 ( 3.947 -1.649 1.988) 4.716 13.877 ( 4.870 -3.679 -7.060) 9.332 13.914 ( 3.149 -1.909 -1.776) 4.088 14.487 ( 1.918 1.895 5.215) 5.871 14.560 ( -6.081 0.064 1.879) 6.365 14.666 ( -2.940 0.498 -7.831) 8.379 14.754 ( -4.509 -0.039 -1.035) 4.627 14.924 ( -1.562 -1.829 -1.124) 2.655 15.077 ( 5.279 -6.225 -3.449) 8.861 15.406 ( -0.086 -0.526 0.823) 0.981 15.526 ( -0.114 -5.750 -0.856) 5.815 17.622 ( -0.865 1.179 12.364) 12.451 17.708 ( -2.044 -3.644 12.506) 13.186 17.987 ( -1.022 1.136 -8.468) 8.604 18.062 ( -1.392 -1.641 -8.919) 9.175 19.262 ( -5.280 1.575 3.924) 6.764 19.334 ( -3.961 -3.493 2.857) 6.005 19.416 ( -3.753 -0.563 -0.153) 3.798 19.493 ( -2.679 -2.905 -4.554) 6.030 21.777 ( -5.438 3.359 0.192) 6.395 21.911 ( -7.069 -3.499 0.502) 7.903 22.560 ( -4.960 4.983 0.723) 7.068 22.613 ( -9.450 3.318 -0.322) 10.021 23.621 ( 13.894 -1.023 0.026) 13.931 23.713 ( 8.632 -5.307 0.051) 10.133 24.385 ( 8.525 3.524 -1.497) 9.346 24.437 ( 8.521 1.344 -2.761) 9.057 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 7.239 8.527 4.749) 12.152 2.213 ( -5.354 6.656 -0.868) 8.587 2.266 ( -3.183 3.561 -4.003) 6.232 2.320 ( -3.547 0.584 -1.642) 3.952 2.584 ( 5.277 9.189 5.091) 11.756 2.642 ( 7.548 10.139 -1.571) 12.737 2.711 ( -4.913 3.341 2.957) 6.637 2.766 ( -3.016 3.588 -1.553) 4.937 2.973 ( 2.182 -4.760 2.650) 5.869 3.007 ( -0.733 4.407 -0.532) 4.499 3.029 ( -1.050 -2.152 -2.049) 3.151 3.137 ( -0.401 -3.535 -3.203) 4.787 3.278 ( -0.189 -9.569 3.486) 10.186 3.316 ( 2.382 -6.424 -2.679) 7.357 3.358 ( 3.363 -1.073 -3.522) 4.987 3.419 ( -4.412 -3.648 0.452) 5.742 3.464 ( -2.255 -4.000 4.232) 6.244 3.537 ( 3.819 -7.957 -3.669) 9.558 3.611 ( 3.493 -0.860 -2.923) 4.635 3.740 ( -3.046 -5.192 -3.990) 7.221 4.075 ( 5.017 6.997 5.366) 10.145 4.110 ( 7.777 1.627 -2.071) 8.211 4.227 ( -1.805 -3.346 -0.019) 3.802 4.269 ( -6.008 -2.488 -2.069) 6.824 4.500 ( 4.339 5.099 7.386) 9.969 4.599 ( 10.195 3.246 1.462) 10.798 4.602 ( 7.025 0.948 -5.166) 8.771 4.651 ( 6.372 -1.790 3.476) 7.476 4.781 ( -3.765 0.249 0.762) 3.850 4.897 ( -8.267 -1.773 1.736) 8.632 5.057 ( -0.579 0.020 -1.673) 1.771 5.131 ( -5.737 -0.587 -2.328) 6.219 5.235 ( 0.628 2.746 6.080) 6.701 5.242 ( 1.203 3.114 6.300) 7.130 5.487 ( -3.105 4.277 -0.861) 5.355 5.614 ( -5.472 -1.240 -7.369) 9.261 6.191 ( 2.160 -0.460 1.333) 2.579 6.208 ( 0.530 -2.088 1.262) 2.497 6.553 ( -0.168 -1.269 3.222) 3.467 6.620 ( 0.561 -4.104 -3.308) 5.301 7.642 ( 1.951 7.419 1.324) 7.785 7.704 ( 0.779 1.917 -3.653) 4.199 7.752 ( -0.790 0.431 -3.650) 3.760 7.767 ( -5.573 2.352 -0.967) 6.126 7.902 ( -1.622 -2.612 2.159) 3.756 7.947 ( -1.427 -4.032 -3.501) 5.528 8.116 ( 0.886 -0.252 0.284) 0.964 8.184 ( -1.583 -3.059 -4.933) 6.016 8.308 ( 1.168 3.240 -2.533) 4.275 8.378 ( -6.254 3.666 2.035) 7.529 8.469 ( -0.521 -4.205 1.240) 4.415 8.664 ( -6.595 -7.512 -2.642) 10.339 8.997 ( 6.547 2.287 3.838) 7.926 9.115 ( 0.046 -1.123 3.430) 3.609 9.202 ( 3.770 -2.369 -0.025) 4.453 9.226 ( 2.969 3.000 -3.207) 5.301 9.294 ( 2.131 -4.496 3.927) 6.339 9.374 ( 1.449 -3.961 0.421) 4.238 9.417 ( 0.988 -1.099 6.239) 6.411 9.554 ( -5.960 1.386 -3.223) 6.916 9.769 ( -5.057 3.883 6.909) 9.401 9.854 ( 0.924 2.220 5.909) 6.379 9.903 ( -0.993 8.567 3.729) 9.396 10.140 ( -2.320 -9.685 6.169) 11.714 10.192 ( 2.785 -2.412 -10.601) 11.223 10.220 ( 2.158 -1.203 -1.671) 2.983 10.387 ( -2.338 -6.772 -6.678) 9.794 10.445 ( -1.244 -8.096 -9.766) 12.746 11.474 ( 8.059 3.392 8.051) 11.886 11.580 ( 5.992 -3.681 4.233) 8.208 11.685 ( -1.760 5.043 6.312) 8.269 11.760 ( -4.705 0.813 -1.429) 4.983 12.145 ( -1.645 3.496 2.853) 4.803 12.167 ( 3.526 4.737 -2.322) 6.345 12.387 ( -0.656 2.615 1.363) 3.021 12.496 ( 3.229 3.530 -9.367) 10.518 12.586 ( 1.241 6.897 3.861) 8.001 12.674 ( 1.382 0.356 -6.577) 6.730 12.833 ( -4.790 -4.621 6.175) 9.079 12.977 ( -4.321 -4.981 -7.569) 10.038 13.702 ( 3.431 5.273 10.542) 12.277 13.866 ( 5.299 0.889 3.238) 6.274 13.984 ( 5.231 -1.652 -5.607) 7.844 14.042 ( 7.806 -2.141 -1.289) 8.196 14.382 ( -10.285 1.134 -0.404) 10.355 14.450 ( -9.008 2.024 -7.857) 12.123 14.534 ( 2.762 -5.349 0.338) 6.030 14.643 ( -7.178 -8.034 -0.512) 10.786 15.044 ( 7.747 0.746 -1.886) 8.008 15.154 ( -0.253 -4.784 -2.577) 5.440 15.414 ( 1.868 0.632 1.642) 2.566 15.502 ( -1.752 -4.170 -2.607) 5.220 17.622 ( 0.267 1.389 13.800) 13.872 17.684 ( -0.663 -2.296 12.277) 12.507 17.971 ( -0.390 1.753 -8.251) 8.444 18.034 ( -1.248 -0.930 -9.644) 9.769 19.191 ( -1.862 2.826 4.321) 5.489 19.277 ( -1.590 -1.392 -0.475) 2.166 19.356 ( -2.119 0.182 2.373) 3.186 19.451 ( -1.103 -3.250 -4.721) 5.836 21.730 ( 0.457 0.491 0.227) 0.709 21.789 ( -5.122 -2.451 0.166) 5.681 22.467 ( -3.254 3.878 0.877) 5.137 22.481 ( -3.476 3.203 -0.468) 4.750 23.818 ( 5.299 -2.437 1.848) 6.119 23.845 ( 3.891 -3.882 0.568) 5.526 24.510 ( 3.752 2.735 -1.200) 4.795 24.553 ( 3.389 0.533 -4.512) 5.669 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -5.842 11.437 8.627) 15.471 2.208 ( -1.853 4.053 -4.268) 6.171 2.298 ( 6.664 1.806 -2.997) 7.527 2.334 ( 6.580 1.512 -3.293) 7.512 2.549 ( -10.371 10.064 5.047) 15.307 2.660 ( -1.072 7.920 -0.656) 8.019 2.751 ( 4.435 5.195 -0.445) 6.845 2.788 ( 5.286 4.986 -0.867) 7.318 2.971 ( -0.791 -2.046 -2.981) 3.702 3.004 ( -0.977 0.046 0.145) 0.989 3.055 ( 3.309 -0.546 2.782) 4.358 3.117 ( -1.427 -4.980 -3.006) 5.990 3.224 ( -4.804 -5.876 3.885) 8.526 3.310 ( -3.071 -4.385 -0.678) 5.396 3.337 ( -2.511 -4.785 -1.260) 5.549 3.403 ( 2.896 -4.795 2.147) 5.999 3.497 ( 3.226 -1.848 -1.706) 4.090 3.592 ( 0.920 -9.465 -5.023) 10.755 3.641 ( -4.425 -2.387 -4.043) 6.452 3.704 ( 3.734 -4.204 -2.323) 6.084 4.056 ( -10.452 2.225 2.405) 10.953 4.163 ( -2.581 -1.013 -0.372) 2.798 4.180 ( -2.668 0.701 1.423) 3.104 4.254 ( 6.961 2.065 0.390) 7.272 4.445 ( -3.791 0.810 7.975) 8.867 4.508 ( -12.825 -1.291 4.938) 13.803 4.648 ( -10.513 1.963 0.250) 10.698 4.710 ( -5.072 2.693 -1.668) 5.980 4.811 ( 7.931 0.724 -2.657) 8.396 4.927 ( 9.677 0.074 -0.376) 9.685 5.052 ( 1.923 -0.127 -0.503) 1.992 5.087 ( -1.420 3.600 3.296) 5.083 5.205 ( 1.670 1.937 0.102) 2.560 5.350 ( 6.014 -0.857 4.626) 7.636 5.490 ( 2.798 3.634 -0.904) 4.674 5.574 ( 2.303 -1.018 -6.278) 6.764 6.168 ( -3.468 -0.914 2.573) 4.414 6.196 ( -2.389 -2.374 2.756) 4.352 6.568 ( 1.549 -0.471 0.718) 1.771 6.650 ( 2.051 -3.790 -4.420) 6.173 7.623 ( -2.387 3.699 0.870) 4.487 7.655 ( -2.300 3.265 3.371) 5.227 7.765 ( 1.813 4.453 -7.122) 8.593 7.816 ( 5.248 0.915 -3.275) 6.253 7.867 ( 0.034 -1.858 2.455) 3.079 7.977 ( 3.192 -4.142 -3.490) 6.287 8.136 ( -0.156 -3.214 -1.495) 3.548 8.154 ( -0.187 -2.635 -3.091) 4.067 8.256 ( -1.582 4.374 2.246) 5.165 8.430 ( 9.700 3.404 -2.227) 10.518 8.533 ( -3.307 -6.136 -4.191) 8.133 8.601 ( 8.416 -2.896 2.759) 9.319 9.024 ( -6.531 2.231 3.241) 7.624 9.119 ( 3.289 0.338 2.136) 3.937 9.177 ( -5.898 -0.052 0.644) 5.933 9.215 ( -3.617 -2.156 -0.881) 4.302 9.317 ( -3.048 -5.297 4.468) 7.571 9.367 ( -1.876 -3.307 -2.043) 4.317 9.469 ( 3.926 -0.655 4.054) 5.681 9.503 ( 0.546 0.150 -1.275) 1.395 9.694 ( -0.038 3.845 10.156) 10.860 9.847 ( -0.164 1.602 14.374) 14.464 9.897 ( -0.938 2.057 -4.386) 4.934 10.131 ( -0.007 -3.949 3.150) 5.051 10.205 ( 0.121 3.082 -4.868) 5.763 10.268 ( -1.017 -7.656 0.787) 7.763 10.392 ( 6.028 -5.707 -15.551) 17.628 10.492 ( 5.469 -5.074 -10.765) 13.097 11.543 ( -6.648 0.332 2.984) 7.294 11.582 ( -4.188 1.139 2.708) 5.116 11.636 ( 2.033 2.941 8.146) 8.896 11.777 ( 3.720 -1.939 -0.310) 4.206 12.093 ( -3.407 6.107 3.180) 7.682 12.214 ( 1.680 7.015 -1.727) 7.417 12.360 ( -2.110 -1.125 3.385) 4.145 12.496 ( -4.253 -1.864 -4.749) 6.642 12.565 ( 0.452 7.595 -2.089) 7.890 12.671 ( -8.104 -3.703 4.287) 9.888 12.737 ( 3.241 5.726 -0.047) 6.580 13.053 ( 8.628 -5.927 -7.325) 12.776 13.711 ( -3.056 5.248 11.625) 13.116 13.879 ( -4.810 4.416 -3.633) 7.472 13.989 ( -5.565 -5.436 1.895) 8.007 14.066 ( -7.270 -3.730 -6.590) 10.497 14.335 ( 8.961 3.975 2.174) 10.041 14.378 ( 3.128 0.374 -1.207) 3.374 14.595 ( 2.978 -5.400 -4.945) 7.905 14.683 ( 10.713 -7.180 -3.760) 13.433 15.034 ( -9.909 0.061 -0.466) 9.920 15.104 ( -2.379 -4.324 1.137) 5.065 15.432 ( -0.485 0.457 -0.032) 0.667 15.521 ( 3.075 -3.721 -4.064) 6.310 17.626 ( -0.169 1.220 13.534) 13.590 17.691 ( 0.945 -1.876 12.569) 12.744 17.971 ( 0.591 1.355 -7.911) 8.048 18.015 ( -0.313 -1.166 -9.335) 9.413 19.196 ( 2.101 3.198 4.936) 6.246 19.278 ( 1.796 0.163 -2.814) 3.342 19.348 ( 1.186 -0.082 4.104) 4.272 19.458 ( 1.890 -4.495 -5.026) 7.003 21.729 ( -0.561 0.492 0.295) 0.802 21.789 ( 5.160 -2.500 0.162) 5.736 22.468 ( 3.309 4.021 0.720) 5.257 22.483 ( 3.772 3.125 -0.619) 4.937 23.804 ( -6.465 -1.949 2.649) 7.253 23.846 ( -4.143 -4.210 0.810) 5.962 24.509 ( -3.711 3.007 -1.506) 5.008 24.566 ( -2.097 0.031 -5.120) 5.533 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.988 15.591 13.791) 20.839 2.192 ( 0.958 7.747 -5.335) 9.455 2.339 ( -8.907 13.549 6.147) 17.340 2.405 ( 0.261 6.818 -6.683) 9.551 2.461 ( 6.876 -0.047 -1.193) 6.979 2.668 ( 3.477 3.811 -2.480) 5.724 2.783 ( -1.449 -0.999 -0.182) 1.769 2.866 ( 0.854 -0.883 2.063) 2.401 2.960 ( -0.508 -2.818 -3.511) 4.531 2.993 ( 0.054 1.797 0.898) 2.010 3.057 ( -3.062 -6.799 1.680) 7.644 3.108 ( 2.303 2.399 -1.946) 3.853 3.177 ( 0.845 -4.537 -3.901) 6.043 3.257 ( -3.063 -2.318 -1.543) 4.139 3.328 ( 2.151 -0.240 -0.784) 2.302 3.431 ( -2.263 -5.285 1.906) 6.057 3.500 ( -1.032 -4.260 -2.980) 5.300 3.550 ( -1.988 -6.271 -3.648) 7.523 3.637 ( -4.036 2.777 7.944) 9.333 3.729 ( -0.371 -0.793 -4.758) 4.838 3.841 ( -5.284 1.682 -0.449) 5.564 4.026 ( -10.048 -0.374 1.601) 10.182 4.103 ( -11.124 -1.861 0.265) 11.281 4.184 ( -7.357 -8.110 4.661) 11.901 4.337 ( -10.609 6.040 -3.119) 12.600 4.424 ( 1.918 5.049 3.719) 6.558 4.571 ( -0.846 -2.153 2.657) 3.523 4.610 ( 3.992 0.905 -0.745) 4.160 4.891 ( -1.972 -3.604 -4.855) 6.360 4.916 ( -6.531 -1.496 5.147) 8.449 5.079 ( 2.492 2.828 4.003) 5.498 5.158 ( 7.272 5.489 -1.262) 9.198 5.295 ( 5.044 0.441 -5.980) 7.836 5.512 ( 8.647 -4.746 1.822) 10.031 5.554 ( 2.476 3.815 2.885) 5.386 5.650 ( 5.281 0.120 -1.957) 5.633 6.097 ( -3.312 -1.806 1.675) 4.128 6.135 ( -3.111 -3.780 2.353) 5.432 6.597 ( 1.118 -0.953 0.848) 1.696 6.680 ( 1.040 -4.565 -4.641) 6.593 7.595 ( -1.320 4.215 1.524) 4.673 7.666 ( 3.003 4.557 1.110) 5.570 7.698 ( -6.223 3.735 -2.950) 7.834 7.883 ( 3.228 -1.452 -1.445) 3.823 7.955 ( 5.518 0.390 2.170) 5.943 8.054 ( 5.223 -5.472 -2.108) 7.853 8.161 ( 4.077 -2.658 -2.282) 5.375 8.202 ( 4.744 -1.688 -3.487) 6.124 8.330 ( 7.007 4.305 1.641) 8.386 8.528 ( 2.783 -2.702 -4.938) 6.279 8.621 ( 8.319 0.777 -0.275) 8.359 8.738 ( 2.499 -8.276 1.460) 8.767 8.889 ( -4.611 6.740 4.986) 9.568 9.011 ( -9.286 1.940 -0.390) 9.494 9.110 ( -4.622 -2.442 -1.311) 5.390 9.142 ( -7.018 0.452 0.378) 7.043 9.228 ( 0.421 -3.839 4.836) 6.188 9.315 ( -3.271 -2.592 0.194) 4.178 9.509 ( -0.437 -1.715 -3.421) 3.852 9.547 ( 2.784 -4.187 3.776) 6.288 9.793 ( 7.643 2.757 6.547) 10.435 9.864 ( 1.448 3.148 8.096) 8.806 9.891 ( 1.983 3.565 0.498) 4.109 10.094 ( -3.376 2.061 -1.915) 4.394 10.207 ( 0.613 1.777 -2.492) 3.121 10.248 ( -0.216 -7.067 7.275) 10.145 10.546 ( 7.555 -3.299 -15.195) 17.287 10.613 ( 7.266 -4.419 -10.711) 13.677 11.353 ( -11.194 4.103 1.855) 12.066 11.434 ( -9.452 2.902 -2.609) 10.226 11.713 ( 3.552 -3.304 10.833) 11.870 11.800 ( -1.896 -4.546 4.351) 6.572 12.031 ( -2.850 9.097 0.398) 9.541 12.240 ( 1.113 7.133 -0.934) 7.279 12.311 ( -2.875 -1.044 2.766) 4.124 12.398 ( -5.231 -0.422 -6.433) 8.302 12.488 ( -6.733 5.020 -1.189) 8.482 12.584 ( -3.081 -2.406 -4.572) 6.015 12.846 ( 7.325 8.044 6.742) 12.799 13.207 ( 5.926 -6.010 -5.210) 9.919 13.633 ( -3.743 4.465 10.779) 12.253 13.765 ( -4.130 -0.173 -3.686) 5.538 13.851 ( -6.237 -3.477 -2.058) 7.432 13.928 ( -5.097 -5.708 -2.735) 8.127 14.499 ( 5.196 4.343 4.393) 8.072 14.532 ( 6.618 5.244 3.061) 8.981 14.671 ( 4.428 -5.413 -7.109) 9.972 14.789 ( -5.307 0.069 -5.599) 7.715 14.912 ( 1.745 -0.830 1.058) 2.204 15.037 ( 0.580 -8.582 -0.256) 8.605 15.424 ( -0.446 -0.024 -0.557) 0.714 15.543 ( -1.046 -5.197 -2.450) 5.840 17.635 ( 0.854 0.742 11.675) 11.730 17.719 ( 1.516 -3.061 13.274) 13.706 17.984 ( 0.887 0.807 -8.618) 8.701 18.025 ( 1.670 -2.170 -7.332) 7.827 19.267 ( 4.783 2.358 5.591) 7.726 19.344 ( 4.901 -0.084 -3.302) 5.910 19.393 ( 2.897 -0.523 4.470) 5.352 19.509 ( 3.081 -6.283 -5.319) 8.790 21.774 ( 5.288 3.439 0.450) 6.324 21.914 ( 7.366 -3.714 0.231) 8.253 22.564 ( 5.168 5.235 0.412) 7.368 22.617 ( 9.311 3.342 -0.703) 9.918 23.595 ( -14.052 -0.291 2.021) 14.199 23.705 ( -9.255 -5.673 0.805) 10.885 24.387 ( -8.205 3.979 -1.831) 9.301 24.464 ( -8.143 0.257 -4.746) 9.429 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 2.394 15.914 16.578) 23.104 2.162 ( -2.708 19.401 12.700) 23.346 2.293 ( 4.357 9.023 -10.125) 14.244 2.374 ( -1.244 12.985 -8.950) 15.820 2.584 ( 4.391 -0.887 -1.855) 4.848 2.699 ( -5.548 -5.839 3.729) 8.876 2.750 ( 3.662 -0.215 -0.728) 3.740 2.813 ( -3.532 -2.695 4.587) 6.386 2.944 ( -1.267 -2.464 -3.448) 4.424 2.992 ( -1.927 -3.656 -2.728) 4.952 3.058 ( 2.463 2.916 2.445) 4.533 3.161 ( 1.671 -0.615 -3.393) 3.832 3.216 ( 0.648 1.093 -3.885) 4.088 3.228 ( 3.510 -1.336 -5.960) 7.045 3.308 ( -9.593 5.510 3.332) 11.554 3.355 ( -5.310 -5.227 -3.538) 8.248 3.422 ( 1.341 4.878 3.475) 6.137 3.502 ( -2.144 -4.430 2.766) 5.646 3.564 ( 0.133 -4.722 -2.679) 5.431 3.752 ( -2.163 -4.871 -0.919) 5.409 3.777 ( -10.697 1.923 -4.051) 11.599 3.836 ( -1.585 1.484 3.141) 3.818 3.948 ( 0.071 -1.854 -0.194) 1.866 4.024 ( -8.552 -1.692 -2.062) 8.958 4.258 ( 0.610 -0.520 2.603) 2.724 4.350 ( -5.624 2.889 2.856) 6.938 4.581 ( -1.695 -5.591 3.099) 6.613 4.658 ( -3.568 -8.311 1.800) 9.222 4.843 ( 3.994 -1.573 -1.094) 4.430 4.894 ( 2.324 -1.538 -5.348) 6.030 5.145 ( 3.733 6.022 3.376) 7.849 5.271 ( 2.820 7.823 2.589) 8.710 5.344 ( 1.339 -1.734 -5.475) 5.897 5.515 ( -4.370 0.721 -0.510) 4.459 5.666 ( 4.849 -2.628 7.558) 9.356 5.767 ( 5.862 -2.213 -3.201) 7.036 6.060 ( -0.427 -2.320 0.591) 2.431 6.093 ( -1.307 -3.884 1.070) 4.236 6.607 ( -0.151 -2.297 2.773) 3.604 6.691 ( 0.366 -6.082 -4.731) 7.715 7.543 ( -3.361 1.681 0.068) 3.758 7.577 ( -4.772 2.798 -2.743) 6.174 7.784 ( 8.082 3.896 1.057) 9.034 7.975 ( 5.094 -0.673 4.500) 6.830 8.042 ( 3.445 2.314 1.187) 4.317 8.161 ( 5.144 -4.049 -1.377) 6.690 8.248 ( 3.590 -3.461 -2.756) 5.697 8.277 ( 1.915 -3.370 -4.027) 5.589 8.483 ( 7.818 5.642 0.458) 9.652 8.564 ( -0.647 1.654 -0.077) 1.777 8.656 ( -3.683 -2.418 -0.898) 4.496 8.718 ( -0.787 1.336 2.167) 2.665 8.822 ( -5.412 -2.825 2.351) 6.542 8.959 ( 4.006 0.157 -1.481) 4.274 8.978 ( -6.155 -0.073 -0.076) 6.155 9.079 ( 1.309 -1.970 -0.475) 2.413 9.231 ( -3.794 -1.072 0.956) 4.056 9.313 ( 5.565 1.405 2.294) 6.181 9.444 ( -6.583 -3.566 -3.283) 8.175 9.540 ( -3.532 -5.321 0.360) 6.396 9.874 ( -0.317 7.321 4.394) 8.545 9.961 ( 7.310 4.276 1.322) 8.571 9.994 ( 8.303 1.694 3.811) 9.291 10.097 ( 5.442 5.285 1.365) 7.708 10.197 ( -2.409 0.521 2.063) 3.214 10.262 ( 1.526 -4.787 5.253) 7.269 10.638 ( 2.575 0.123 -8.901) 9.267 10.728 ( 2.724 -5.099 -13.474) 14.662 11.167 ( -6.766 4.776 1.674) 8.450 11.236 ( -10.146 3.216 -4.565) 11.581 11.709 ( -4.838 -2.331 12.071) 13.212 11.791 ( 3.093 -5.650 12.620) 14.169 11.984 ( -2.087 8.312 -6.085) 10.511 12.245 ( -3.963 4.275 1.283) 5.969 12.260 ( 0.837 3.394 -2.682) 4.406 12.301 ( -4.362 -1.786 -8.424) 9.653 12.383 ( -3.817 5.806 -2.140) 7.270 12.494 ( -4.947 -1.421 -5.566) 7.581 12.982 ( 5.803 6.075 5.934) 10.286 13.248 ( -1.005 -4.507 -5.520) 7.197 13.620 ( 2.351 4.025 9.971) 11.007 13.757 ( 1.790 -2.965 1.364) 3.722 13.791 ( 1.004 -2.619 -4.367) 5.190 13.894 ( 1.156 -5.815 -1.984) 6.252 14.393 ( -9.771 10.263 -0.209) 14.172 14.530 ( -10.278 4.138 -6.529) 12.860 14.717 ( 4.632 -1.632 7.559) 9.015 14.832 ( 6.934 -3.999 -1.533) 8.150 14.967 ( 3.741 -0.800 3.272) 5.034 15.095 ( 1.008 -8.324 -1.775) 8.570 15.433 ( 1.827 -1.816 -3.010) 3.961 15.495 ( -3.087 -4.676 -2.162) 6.005 17.658 ( 0.880 0.557 11.870) 11.916 17.752 ( 1.401 -3.945 11.232) 11.987 18.001 ( 1.093 -0.526 -7.007) 7.111 18.067 ( 2.441 -3.838 -7.273) 8.578 19.364 ( 4.518 0.214 6.407) 7.842 19.441 ( 2.374 -1.451 3.893) 4.785 19.450 ( 4.659 -0.499 -2.828) 5.473 19.557 ( 1.656 -7.829 -5.521) 9.721 21.923 ( 9.370 4.315 1.098) 10.375 22.055 ( 6.518 -2.741 0.077) 7.072 22.624 ( 0.825 6.855 -0.473) 6.921 22.748 ( 0.311 1.953 -0.299) 2.000 23.368 ( -4.961 2.299 0.407) 5.483 23.543 ( -6.620 -6.405 0.183) 9.214 24.223 ( -7.761 4.579 -1.458) 9.129 24.276 ( -9.942 2.374 -3.745) 10.886 ======================= Grid point 154 (84/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -2.472 -11.309 13.131) 17.505 2.315 ( -2.472 11.309 13.131) 17.505 2.495 ( -0.397 -10.219 5.099) 11.427 2.495 ( -0.397 10.219 5.099) 11.427 2.588 ( 3.469 -7.630 -5.369) 9.954 2.588 ( 3.469 7.630 -5.369) 9.954 2.757 ( 1.624 -6.404 -4.979) 8.272 2.757 ( 1.624 6.404 -4.979) 8.272 2.906 ( -0.680 -0.442 -2.905) 3.017 2.906 ( -0.680 0.442 -2.905) 3.017 3.118 ( -3.813 -2.284 -0.791) 4.515 3.118 ( -3.813 2.284 -0.791) 4.515 3.199 ( -0.129 -2.121 -3.612) 4.190 3.199 ( -0.129 2.121 -3.612) 4.190 3.347 ( -2.820 -8.542 3.386) 9.612 3.347 ( -2.820 8.542 3.386) 9.612 3.426 ( 2.426 -6.889 -4.028) 8.340 3.426 ( 2.426 6.889 -4.028) 8.340 3.575 ( 2.077 -0.866 -1.397) 2.649 3.575 ( 2.077 0.866 -1.397) 2.649 3.816 ( 1.210 -4.595 3.426) 5.858 3.816 ( 1.210 4.595 3.426) 5.858 3.980 ( 1.848 -0.406 -1.647) 2.509 3.980 ( 1.848 0.406 -1.647) 2.509 4.315 ( -2.960 -3.338 3.684) 5.786 4.315 ( -2.960 3.338 3.684) 5.786 4.375 ( 0.268 -3.408 -0.118) 3.421 4.375 ( 0.268 3.408 -0.118) 3.421 4.935 ( 1.310 -1.349 -4.328) 4.719 4.935 ( 1.310 1.349 -4.328) 4.719 5.296 ( -2.699 -2.185 -0.676) 3.538 5.296 ( -2.699 2.185 -0.676) 3.538 5.397 ( 0.739 -3.920 6.494) 7.621 5.397 ( 0.739 3.920 6.494) 7.621 5.743 ( 0.820 -4.973 -2.395) 5.581 5.743 ( 0.820 4.973 -2.395) 5.581 6.056 ( 0.436 -0.273 0.783) 0.937 6.056 ( 0.436 0.273 0.783) 0.937 6.593 ( -0.653 -2.769 -0.232) 2.854 6.593 ( -0.653 2.769 -0.232) 2.854 7.527 ( -0.203 -1.037 -1.599) 1.916 7.527 ( -0.203 1.037 -1.599) 1.916 8.011 ( 3.178 -5.431 5.434) 8.314 8.011 ( 3.178 5.431 5.434) 8.314 8.124 ( -1.523 -6.911 -4.391) 8.329 8.124 ( -1.523 6.911 -4.391) 8.329 8.226 ( -1.855 -1.123 -1.138) 2.448 8.226 ( -1.855 1.123 -1.138) 2.448 8.570 ( 1.444 -1.342 -0.279) 1.990 8.570 ( 1.444 1.342 -0.279) 1.990 8.684 ( -2.451 -1.027 0.526) 2.709 8.684 ( -2.451 1.027 0.526) 2.709 8.833 ( 1.848 -1.374 -0.646) 2.392 8.833 ( 1.848 1.374 -0.646) 2.392 9.087 ( 3.082 -1.900 4.142) 5.501 9.087 ( 3.082 1.900 4.142) 5.501 9.197 ( -4.748 -4.312 -2.181) 6.775 9.197 ( -4.748 4.312 -2.181) 6.775 9.444 ( 1.197 -0.754 -0.272) 1.440 9.444 ( 1.197 0.754 -0.272) 1.440 10.020 ( -0.676 -6.992 4.786) 8.500 10.020 ( -0.676 6.992 4.786) 8.500 10.151 ( 2.048 -3.658 -1.022) 4.315 10.151 ( 2.048 3.658 -1.022) 4.315 10.260 ( 1.225 -0.867 5.244) 5.454 10.260 ( 1.225 0.867 5.244) 5.454 10.657 ( -3.052 -1.553 -10.275) 10.830 10.657 ( -3.052 1.553 -10.275) 10.830 11.119 ( -1.351 -0.499 -0.577) 1.551 11.119 ( -1.351 0.499 -0.577) 1.551 11.748 ( 4.610 -5.359 13.013) 14.809 11.748 ( 4.610 5.359 13.013) 14.809 12.059 ( -4.655 -6.444 -11.499) 13.980 12.059 ( -4.655 6.444 -11.499) 13.980 12.292 ( 0.074 -1.888 -1.621) 2.489 12.292 ( 0.074 1.888 -1.621) 2.489 12.449 ( 1.644 -2.037 -1.005) 2.804 12.449 ( 1.644 2.037 -1.005) 2.804 13.136 ( -0.024 -3.742 0.900) 3.849 13.136 ( -0.024 3.742 0.900) 3.849 13.739 ( 0.074 -2.496 2.346) 3.426 13.739 ( 0.074 2.496 2.346) 3.426 13.837 ( 1.870 -2.334 -3.110) 4.315 13.837 ( 1.870 2.334 -3.110) 4.315 14.401 ( -2.290 -1.091 -0.532) 2.591 14.401 ( -2.290 1.091 -0.532) 2.591 14.805 ( 1.533 -3.728 -0.305) 4.043 14.805 ( 1.533 3.728 -0.305) 4.043 15.005 ( -0.943 -1.916 6.443) 6.788 15.005 ( -0.943 1.916 6.443) 6.788 15.429 ( 0.164 -1.337 -5.560) 5.721 15.429 ( 0.164 1.337 -5.560) 5.721 17.700 ( -0.376 -2.881 12.370) 12.707 17.700 ( -0.376 2.881 12.370) 12.707 18.026 ( 0.584 -2.538 -8.682) 9.065 18.026 ( 0.584 2.538 -8.682) 9.065 19.424 ( -1.112 -1.532 3.474) 3.956 19.424 ( -1.112 1.532 3.474) 3.956 19.496 ( 0.952 -0.707 -2.844) 3.082 19.496 ( 0.952 0.707 -2.844) 3.082 22.095 ( -0.063 -1.199 1.138) 1.655 22.095 ( -0.063 1.199 1.138) 1.655 22.700 ( -0.136 -0.650 -0.745) 0.998 22.700 ( -0.136 0.650 -0.745) 0.998 23.408 ( 0.554 -1.661 -0.708) 1.889 23.408 ( 0.554 1.661 -0.708) 1.889 24.188 ( -0.363 -0.966 -1.284) 1.648 24.188 ( -0.363 0.966 -1.284) 1.648 ======================= Grid point 156 (85/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.235 -10.980 10.416) 15.476 2.259 ( -3.235 10.980 10.416) 15.476 2.480 ( -0.938 -12.401 2.966) 12.786 2.480 ( -0.938 12.401 2.966) 12.786 2.642 ( 2.246 -9.785 -4.193) 10.880 2.642 ( 2.246 9.785 -4.193) 10.880 2.783 ( 0.191 -5.527 -1.338) 5.690 2.783 ( 0.191 5.527 -1.338) 5.690 2.873 ( -1.578 -3.541 -4.296) 5.787 2.873 ( -1.578 3.541 -4.296) 5.787 3.087 ( -0.941 -2.004 1.488) 2.667 3.087 ( -0.941 2.004 1.488) 2.667 3.200 ( 2.410 -3.754 -2.212) 4.979 3.200 ( 2.410 3.754 -2.212) 4.979 3.293 ( -2.450 -9.211 0.838) 9.568 3.293 ( -2.450 9.211 0.838) 9.568 3.468 ( 1.992 -5.663 -2.632) 6.555 3.468 ( 1.992 5.663 -2.632) 6.555 3.675 ( 4.584 -4.352 0.280) 6.327 3.675 ( 4.584 4.352 0.280) 6.327 3.892 ( 5.364 -2.287 0.477) 5.851 3.892 ( 5.364 2.287 0.477) 5.851 4.009 ( 4.622 -4.298 -5.660) 8.477 4.009 ( 4.622 4.298 -5.660) 8.477 4.270 ( 1.081 -7.187 4.360) 8.475 4.270 ( 1.081 7.187 4.360) 8.475 4.494 ( 7.300 -1.360 3.201) 8.086 4.494 ( 7.300 1.360 3.201) 8.086 4.909 ( -2.558 -3.040 -5.650) 6.907 4.909 ( -2.558 3.040 -5.650) 6.907 5.196 ( -5.806 -3.922 4.069) 8.103 5.196 ( -5.806 3.922 4.069) 8.103 5.424 ( -0.574 -6.839 4.331) 8.115 5.424 ( -0.574 6.839 4.331) 8.115 5.730 ( -1.930 -5.659 -3.261) 6.810 5.730 ( -1.930 5.659 -3.261) 6.810 6.071 ( 1.616 -0.987 -0.081) 1.895 6.071 ( 1.616 0.987 -0.081) 1.895 6.580 ( -0.758 -2.697 0.771) 2.905 6.580 ( -0.758 2.697 0.771) 2.905 7.575 ( 5.083 -1.194 -1.120) 5.340 7.575 ( 5.083 1.194 -1.120) 5.340 7.928 ( -8.116 -6.462 -0.593) 10.391 7.928 ( -8.116 6.462 -0.593) 10.391 8.103 ( -4.538 -3.209 2.205) 5.979 8.103 ( -4.538 3.209 2.205) 5.979 8.207 ( 1.504 -6.937 -4.770) 8.552 8.207 ( 1.504 6.937 -4.770) 8.552 8.527 ( -6.905 -2.051 1.291) 7.318 8.527 ( -6.905 2.051 1.291) 7.318 8.687 ( 1.793 -3.484 -0.260) 3.927 8.687 ( 1.793 3.484 -0.260) 3.927 8.859 ( 1.590 -2.935 1.955) 3.868 8.859 ( 1.590 2.935 1.955) 3.868 9.098 ( -0.474 -6.575 -2.475) 7.042 9.098 ( -0.474 6.575 -2.475) 7.042 9.186 ( 3.046 -2.658 4.565) 6.098 9.186 ( 3.046 2.658 4.565) 6.098 9.490 ( 2.873 -6.399 -1.271) 7.128 9.490 ( 2.873 6.399 -1.271) 7.128 10.003 ( -0.291 -4.050 1.881) 4.475 10.003 ( -0.291 4.050 1.881) 4.475 10.123 ( -5.115 -6.818 -3.214) 9.110 10.123 ( -5.115 6.818 -3.214) 9.110 10.217 ( -4.173 -5.842 8.475) 11.107 10.217 ( -4.173 5.842 8.475) 11.107 10.557 ( -6.675 -1.218 -8.500) 10.876 10.557 ( -6.675 1.218 -8.500) 10.876 11.196 ( 7.942 -1.257 2.460) 8.409 11.196 ( 7.942 1.257 2.460) 8.409 11.849 ( 1.350 -7.766 7.554) 10.918 11.849 ( 1.350 7.766 7.554) 10.918 12.007 ( 3.106 -2.243 -5.154) 6.422 12.007 ( 3.106 2.243 -5.154) 6.422 12.333 ( 3.776 -0.933 -2.823) 4.807 12.333 ( 3.776 0.933 -2.823) 4.807 12.518 ( 4.918 -2.944 -4.099) 7.046 12.518 ( 4.918 2.944 -4.099) 7.046 13.110 ( -3.158 -1.744 2.781) 4.555 13.110 ( -3.158 1.744 2.781) 4.555 13.704 ( -2.550 -3.705 2.268) 5.037 13.704 ( -2.550 3.705 2.268) 5.037 13.834 ( -0.560 -4.612 -5.253) 7.013 13.834 ( -0.560 4.612 -5.253) 7.013 14.473 ( 7.072 -2.112 2.585) 7.820 14.473 ( 7.072 2.112 2.585) 7.820 14.800 ( -1.744 -7.019 -2.172) 7.552 14.800 ( -1.744 7.019 -2.172) 7.552 14.960 ( -3.510 -1.165 2.847) 4.667 14.960 ( -3.510 1.165 2.847) 4.667 15.430 ( 0.246 -2.805 -3.033) 4.139 15.430 ( 0.246 2.805 -3.033) 4.139 17.681 ( -1.715 -2.748 12.260) 12.681 17.681 ( -1.715 2.748 12.260) 12.681 18.029 ( -0.008 -2.534 -8.935) 9.287 18.029 ( -0.008 2.534 -8.935) 9.287 19.371 ( -4.110 -0.398 3.666) 5.522 19.371 ( -4.110 0.398 3.666) 5.522 19.487 ( -1.747 -1.947 -2.779) 3.817 19.487 ( -1.747 1.947 -2.779) 3.817 21.996 ( -8.096 -2.925 0.761) 8.642 21.996 ( -8.096 2.925 0.761) 8.642 22.721 ( -0.921 -4.140 -0.048) 4.241 22.721 ( -0.921 4.140 -0.048) 4.241 23.453 ( 5.926 -5.053 -0.937) 7.844 23.453 ( 5.926 5.053 -0.937) 7.844 24.272 ( 7.815 -1.396 -1.218) 8.031 24.272 ( 7.815 1.396 -1.218) 8.031 ======================= Grid point 158 (86/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.132 -9.294 5.040) 10.633 2.214 ( -1.132 9.294 5.040) 10.633 2.441 ( -4.379 -6.647 -2.008) 8.209 2.441 ( -4.379 6.647 -2.008) 8.209 2.674 ( 1.611 -3.855 3.388) 5.379 2.674 ( 1.611 3.855 3.388) 5.379 2.746 ( -1.381 -4.614 2.530) 5.441 2.746 ( -1.381 4.614 2.530) 5.441 2.921 ( 5.068 -5.673 -4.610) 8.895 2.921 ( 5.068 5.673 -4.610) 8.895 3.079 ( -0.321 -3.195 0.853) 3.323 3.079 ( -0.321 3.195 0.853) 3.323 3.206 ( -1.111 -7.281 -3.245) 8.049 3.206 ( -1.111 7.281 -3.245) 8.049 3.318 ( 4.342 -4.039 -1.219) 6.054 3.318 ( 4.342 4.039 -1.219) 6.054 3.472 ( -2.483 -4.032 -1.008) 4.841 3.472 ( -2.483 4.032 -1.008) 4.841 3.679 ( -1.953 -4.084 0.521) 4.557 3.679 ( -1.953 4.084 0.521) 4.557 4.035 ( 7.469 -5.557 -1.046) 9.368 4.035 ( 7.469 5.557 -1.046) 9.368 4.144 ( 7.501 -7.926 -4.982) 11.996 4.144 ( 7.501 7.926 -4.982) 11.996 4.396 ( 11.521 -8.513 5.699) 15.417 4.396 ( 11.521 8.513 5.699) 15.417 4.555 ( -0.619 -1.918 0.299) 2.037 4.555 ( -0.619 1.918 0.299) 2.037 4.894 ( -0.316 -7.025 -0.954) 7.096 4.894 ( -0.316 7.025 -0.954) 7.096 5.110 ( -1.447 -1.433 2.755) 3.426 5.110 ( -1.447 1.433 2.755) 3.426 5.345 ( -7.164 -5.864 4.261) 10.191 5.345 ( -7.164 5.864 4.261) 10.191 5.669 ( -4.386 -4.885 -3.517) 7.448 5.669 ( -4.386 4.885 -3.517) 7.448 6.128 ( 3.966 -1.188 -0.172) 4.144 6.128 ( 3.966 1.188 -0.172) 4.144 6.564 ( -0.900 -1.996 1.047) 2.427 6.564 ( -0.900 1.996 1.047) 2.427 7.698 ( 6.153 -1.321 -1.386) 6.444 7.698 ( 6.153 1.321 -1.386) 6.444 7.791 ( -4.666 -5.770 -1.186) 7.515 7.791 ( -4.666 5.770 -1.186) 7.515 7.982 ( -7.254 -3.015 0.079) 7.856 7.982 ( -7.254 3.015 0.079) 7.856 8.191 ( -3.268 -4.840 -5.674) 8.143 8.191 ( -3.268 4.840 -5.674) 8.143 8.404 ( -4.391 -2.400 0.923) 5.089 8.404 ( -4.391 2.400 0.923) 5.089 8.633 ( -6.180 -0.589 0.553) 6.232 8.633 ( -6.180 0.589 0.553) 6.232 8.945 ( 6.273 -5.206 5.785) 9.996 8.945 ( 6.273 5.206 5.785) 9.996 9.147 ( 4.490 -4.529 0.077) 6.378 9.147 ( 4.490 4.529 0.077) 6.378 9.244 ( 2.743 -2.176 0.395) 3.523 9.244 ( 2.743 2.176 0.395) 3.523 9.522 ( -0.167 -8.538 -0.562) 8.558 9.522 ( -0.167 8.538 -0.562) 8.559 9.982 ( -2.671 -2.565 -4.963) 6.192 9.982 ( -2.671 2.565 -4.963) 6.192 10.035 ( -3.586 -4.629 5.861) 8.285 10.035 ( -3.586 4.629 5.861) 8.285 10.151 ( -1.012 -7.416 8.026) 10.975 10.151 ( -1.012 7.416 8.026) 10.975 10.415 ( -6.970 -2.082 -11.419) 13.539 10.415 ( -6.970 2.082 -11.419) 13.539 11.370 ( 9.045 -2.427 5.116) 10.672 11.370 ( 9.045 2.427 5.116) 10.672 11.808 ( -3.017 -4.439 1.861) 5.680 11.808 ( -3.017 4.439 1.861) 5.680 12.125 ( 5.522 -1.947 1.797) 6.124 12.125 ( 5.522 1.947 1.797) 6.124 12.422 ( 4.726 -1.474 -5.453) 7.365 12.422 ( 4.726 1.474 -5.453) 7.365 12.608 ( 4.280 -2.711 -5.582) 7.538 12.608 ( 4.280 2.711 -5.582) 7.538 13.000 ( -8.206 -5.617 5.117) 11.183 13.000 ( -8.206 5.617 5.117) 11.183 13.705 ( 3.532 -3.910 4.568) 6.974 13.705 ( 3.532 3.910 4.568) 6.974 13.871 ( 5.007 -2.382 -5.406) 7.744 13.871 ( 5.007 2.382 -5.406) 7.744 14.538 ( -2.099 -2.962 3.613) 5.122 14.538 ( -2.099 2.962 3.613) 5.122 14.701 ( -9.490 -3.593 -4.631) 11.154 14.701 ( -9.490 3.593 -4.631) 11.154 14.963 ( 5.728 -4.860 -2.406) 7.888 14.963 ( 5.728 4.860 -2.406) 7.888 15.437 ( 0.275 -3.461 -0.114) 3.473 15.437 ( 0.275 3.461 -0.114) 3.473 17.653 ( -1.095 -2.207 12.591) 12.830 17.653 ( -1.095 2.207 12.591) 12.830 18.022 ( -0.471 -2.315 -9.265) 9.561 18.022 ( -0.471 2.315 -9.265) 9.561 19.289 ( -3.887 -1.572 3.736) 5.616 19.289 ( -3.887 1.572 3.736) 5.616 19.438 ( -2.873 -2.526 -2.716) 4.692 19.438 ( -2.873 2.526 -2.716) 4.692 21.845 ( -6.830 -3.596 0.360) 7.728 21.845 ( -6.830 3.596 0.360) 7.728 22.625 ( -7.356 -1.689 0.252) 7.552 22.625 ( -7.356 1.689 0.252) 7.552 23.637 ( 11.058 -2.611 0.105) 11.363 23.637 ( 11.058 2.611 0.105) 11.363 24.434 ( 7.931 -1.527 -1.898) 8.297 24.434 ( 7.931 1.527 -1.898) 8.297 ======================= Grid point 160 (87/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 2.957 -5.296 0.698) 6.105 2.232 ( 2.957 5.296 0.698) 6.105 2.319 ( -6.675 -2.641 -1.230) 7.283 2.319 ( -6.675 2.641 -1.230) 7.283 2.714 ( 0.915 -4.839 3.647) 6.128 2.714 ( 0.915 4.839 3.647) 6.128 2.756 ( 2.368 -2.066 3.002) 4.346 2.756 ( 2.368 2.066 3.002) 4.346 3.005 ( 2.465 -5.443 -2.829) 6.611 3.005 ( 2.465 5.443 -2.829) 6.611 3.065 ( -0.549 -4.487 3.456) 5.691 3.065 ( -0.549 4.487 3.456) 5.691 3.202 ( 0.503 -7.213 -6.666) 9.834 3.202 ( 0.503 7.213 -6.666) 9.834 3.371 ( -3.532 -2.743 -1.776) 4.812 3.371 ( -3.532 2.743 -1.776) 4.812 3.429 ( 3.610 -2.564 1.902) 4.819 3.429 ( 3.610 2.564 1.902) 4.819 3.643 ( -1.873 -4.130 -3.823) 5.931 3.643 ( -1.873 4.130 -3.823) 5.931 4.144 ( 4.505 -2.656 -0.923) 5.311 4.144 ( 4.505 2.656 -0.923) 5.311 4.211 ( -1.697 -4.414 1.429) 4.940 4.211 ( -1.697 4.414 1.429) 4.940 4.569 ( 3.954 -2.701 0.815) 4.857 4.569 ( 3.954 2.701 0.815) 4.857 4.654 ( 8.791 -1.202 2.882) 9.329 4.654 ( 8.791 1.202 2.882) 9.329 4.819 ( -2.900 -4.521 0.681) 5.415 4.819 ( -2.900 4.521 0.681) 5.415 5.091 ( -5.521 -2.825 -2.149) 6.563 5.091 ( -5.521 2.825 -2.149) 6.563 5.268 ( 2.549 -0.559 7.361) 7.810 5.268 ( 2.549 0.559 7.361) 7.810 5.565 ( -5.271 -3.710 -4.751) 8.007 5.565 ( -5.271 3.710 -4.751) 8.007 6.192 ( 1.592 -0.300 1.826) 2.441 6.192 ( 1.592 0.300 1.826) 2.441 6.557 ( 0.605 -2.013 -0.829) 2.259 6.557 ( 0.605 2.013 -0.829) 2.259 7.721 ( -0.282 -0.971 -4.018) 4.143 7.721 ( -0.282 0.971 -4.018) 4.143 7.772 ( -2.895 -2.621 1.235) 4.096 7.772 ( -2.895 2.621 1.235) 4.096 7.888 ( 0.071 -1.548 -1.527) 2.175 7.888 ( 0.071 1.548 -1.527) 2.175 8.135 ( -1.582 -2.095 -3.237) 4.167 8.135 ( -1.582 2.095 -3.237) 4.167 8.382 ( 1.829 -4.413 -0.422) 4.795 8.382 ( 1.829 4.413 -0.422) 4.795 8.502 ( -5.922 -8.426 -0.394) 10.307 8.502 ( -5.922 8.426 -0.394) 10.307 9.058 ( 4.158 -3.955 5.053) 7.647 9.058 ( 4.158 3.955 5.053) 7.647 9.206 ( 0.692 -3.471 1.040) 3.689 9.206 ( 0.691 3.471 1.040) 3.689 9.296 ( 2.348 -3.396 -0.267) 4.137 9.296 ( 2.348 3.396 -0.267) 4.137 9.496 ( -1.418 -6.143 2.656) 6.842 9.496 ( -1.418 6.143 2.656) 6.842 9.899 ( -7.722 -8.846 7.528) 13.948 9.899 ( -7.722 8.846 7.528) 13.948 9.980 ( 0.826 -7.684 4.337) 8.862 9.980 ( 0.826 7.684 4.337) 8.862 10.199 ( 3.998 -7.312 -1.524) 8.472 10.199 ( 3.998 7.312 -1.524) 8.472 10.316 ( -2.030 -4.116 -16.043) 16.686 10.316 ( -2.030 4.116 -16.043) 16.686 11.523 ( 5.992 -2.370 6.830) 9.390 11.523 ( 5.992 2.370 6.830) 9.390 11.754 ( -2.748 -1.966 2.092) 3.974 11.754 ( -2.748 1.966 2.092) 3.974 12.189 ( 1.427 -1.014 1.961) 2.629 12.189 ( 1.427 1.014 1.961) 2.629 12.470 ( 0.092 -4.150 -5.776) 7.113 12.470 ( 0.092 4.150 -5.776) 7.113 12.686 ( 2.470 -0.453 -2.783) 3.749 12.686 ( 2.470 0.453 -2.783) 3.749 12.843 ( -5.295 -7.335 2.866) 9.490 12.843 ( -5.295 7.335 2.866) 9.490 13.819 ( 6.028 -5.744 7.943) 11.507 13.819 ( 6.028 5.744 7.943) 11.507 13.998 ( 6.251 -2.380 -6.037) 9.010 13.998 ( 6.251 2.380 -6.037) 9.010 14.422 ( -8.681 -3.680 -2.151) 9.671 14.422 ( -8.681 3.680 -2.151) 9.671 14.527 ( -4.404 -4.225 -2.252) 6.506 14.527 ( -4.404 4.225 -2.252) 6.506 15.079 ( 3.459 -2.953 -1.880) 4.921 15.079 ( 3.459 2.953 -1.880) 4.921 15.439 ( 0.371 -2.308 -0.719) 2.445 15.439 ( 0.371 2.308 -0.719) 2.445 17.649 ( 0.127 -1.521 13.438) 13.524 17.649 ( 0.127 1.521 13.438) 13.524 18.006 ( -0.786 -1.865 -9.618) 9.829 18.006 ( -0.786 1.865 -9.618) 9.829 19.240 ( -1.024 -2.352 3.406) 4.264 19.240 ( -1.024 2.352 3.406) 4.264 19.389 ( -1.756 -2.946 -2.572) 4.287 19.389 ( -1.756 2.946 -2.572) 4.287 21.751 ( -2.587 -1.615 0.225) 3.058 21.751 ( -2.587 1.615 0.225) 3.058 22.508 ( -3.594 -0.382 0.203) 3.620 22.508 ( -3.594 0.382 0.203) 3.620 23.801 ( 4.677 -0.680 1.215) 4.880 23.801 ( 4.677 0.680 1.215) 4.880 24.547 ( 3.339 -1.142 -2.652) 4.415 24.547 ( 3.339 1.142 -2.652) 4.415 ======================= Grid point 162 (88/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.454 -4.777 2.153) 5.786 2.222 ( -2.454 4.777 2.153) 5.786 2.324 ( 5.840 -1.628 -2.246) 6.465 2.324 ( 5.840 1.628 -2.246) 6.465 2.694 ( -2.679 -5.879 2.545) 6.944 2.694 ( -2.679 5.879 2.545) 6.944 2.805 ( 1.483 -3.441 2.221) 4.356 2.805 ( 1.483 3.441 2.221) 4.356 3.003 ( -2.017 -4.022 2.689) 5.241 3.003 ( -2.017 4.022 2.689) 5.241 3.048 ( -1.481 -7.807 -3.617) 8.731 3.048 ( -1.481 7.807 -3.617) 8.731 3.223 ( 2.135 -8.382 -5.494) 10.247 3.223 ( 2.135 8.382 -5.494) 10.247 3.328 ( -0.089 -3.161 1.431) 3.471 3.328 ( -0.089 3.161 1.431) 3.471 3.464 ( -1.488 -2.225 -0.900) 2.824 3.464 ( -1.488 2.225 -0.900) 2.824 3.639 ( 2.515 -2.290 -3.949) 5.211 3.639 ( 2.515 2.290 -3.949) 5.211 4.102 ( -5.962 -3.266 2.264) 7.165 4.102 ( -5.962 3.266 2.264) 7.165 4.247 ( 0.215 -2.909 -1.426) 3.247 4.247 ( 0.215 2.909 -1.426) 3.247 4.471 ( -6.795 -2.080 7.928) 10.647 4.471 ( -6.795 2.080 7.928) 10.647 4.708 ( -7.462 -2.738 -0.709) 7.980 4.708 ( -7.462 2.738 -0.709) 7.980 4.861 ( 5.458 -4.580 -1.709) 7.327 4.861 ( 5.458 4.580 -1.709) 7.327 5.092 ( 5.592 -2.727 -2.304) 6.635 5.092 ( 5.592 2.727 -2.304) 6.635 5.285 ( -0.626 -5.415 5.787) 7.950 5.285 ( -0.626 5.415 5.787) 7.950 5.544 ( 3.545 -2.109 -3.203) 5.223 5.544 ( 3.545 2.109 -3.203) 5.223 6.171 ( -3.488 -0.753 3.277) 4.845 6.171 ( -3.488 0.753 3.277) 4.845 6.586 ( 1.901 -2.460 -2.929) 4.271 6.586 ( 1.901 2.460 -2.929) 4.271 7.671 ( -2.050 -1.522 1.153) 2.801 7.671 ( -2.050 1.522 1.153) 2.801 7.808 ( 4.831 -1.404 -2.896) 5.805 7.808 ( 4.831 1.404 -2.896) 5.805 7.901 ( 0.232 -3.806 -2.558) 4.592 7.901 ( 0.232 3.806 -2.558) 4.592 8.116 ( -0.359 -0.973 -1.694) 1.987 8.116 ( -0.359 0.973 -1.694) 1.987 8.376 ( -0.409 -7.299 0.396) 7.321 8.376 ( -0.409 7.299 0.396) 7.322 8.528 ( 6.635 -4.235 -2.857) 8.374 8.528 ( 6.635 4.235 -2.857) 8.374 9.081 ( -1.672 -3.536 3.898) 5.522 9.081 ( -1.672 3.536 3.898) 5.522 9.185 ( -2.485 -1.414 1.974) 3.475 9.185 ( -2.485 1.414 1.974) 3.475 9.296 ( -3.002 -2.986 0.033) 4.235 9.296 ( -3.002 2.986 0.033) 4.235 9.492 ( 0.642 -1.822 2.801) 3.403 9.492 ( 0.642 1.822 2.801) 3.403 9.799 ( -1.029 -7.103 9.673) 12.045 9.799 ( -1.029 7.103 9.673) 12.045 9.995 ( 0.297 -8.660 6.356) 10.746 9.995 ( 0.297 8.660 6.356) 10.746 10.239 ( -0.313 -2.450 -3.820) 4.549 10.239 ( -0.313 2.450 -3.820) 4.549 10.372 ( 7.774 -5.393 -18.949) 21.180 10.372 ( 7.774 5.393 -18.949) 21.180 11.560 ( -3.516 -1.431 4.115) 5.598 11.560 ( -3.516 1.431 4.115) 5.598 11.718 ( -0.326 -4.140 4.444) 6.082 11.718 ( -0.326 4.140 4.444) 6.082 12.197 ( -0.325 -4.862 2.327) 5.399 12.197 ( -0.325 4.862 2.327) 5.399 12.441 ( -2.490 -5.045 -2.828) 6.297 12.441 ( -2.490 5.045 -2.828) 6.297 12.632 ( -4.667 -1.461 0.432) 4.910 12.632 ( -4.667 1.461 0.432) 4.910 12.891 ( 6.836 -9.805 -1.010) 11.996 12.891 ( 6.836 9.805 -1.010) 11.996 13.850 ( -3.644 -8.187 7.658) 11.788 13.850 ( -3.644 8.187 7.658) 11.788 13.982 ( -8.135 -5.401 -6.981) 12.004 13.982 ( -8.135 5.401 -6.981) 12.004 14.382 ( 6.709 -0.811 0.061) 6.758 14.382 ( 6.709 0.811 0.061) 6.758 14.570 ( 7.598 -3.415 -4.731) 9.580 14.570 ( 7.598 3.415 -4.731) 9.580 15.050 ( -5.900 -1.699 0.583) 6.167 15.050 ( -5.900 1.699 0.583) 6.167 15.459 ( 1.123 -2.474 -2.362) 3.600 15.459 ( 1.123 2.474 -2.362) 3.600 17.656 ( 0.129 -1.812 13.504) 13.625 17.656 ( 0.129 1.812 13.504) 13.625 17.994 ( -0.131 -1.129 -9.179) 9.249 17.994 ( -0.131 1.129 -9.179) 9.249 19.253 ( 2.164 -2.571 2.755) 4.345 19.253 ( 2.164 2.571 2.755) 4.345 19.380 ( 0.959 -3.363 -2.250) 4.159 19.380 ( 0.959 3.363 -2.250) 4.159 21.750 ( 2.530 -1.638 0.277) 3.027 21.750 ( 2.530 1.638 0.277) 3.027 22.510 ( 3.803 -0.387 0.024) 3.823 22.510 ( 3.803 0.387 0.024) 3.823 23.795 ( -5.312 -1.102 1.684) 5.680 23.795 ( -5.312 1.102 1.684) 5.680 24.552 ( -2.787 -1.537 -3.030) 4.395 24.552 ( -2.787 1.537 -3.030) 4.395 ======================= Grid point 164 (89/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 3.062 -6.123 4.863) 8.397 2.230 ( 3.062 6.123 4.863) 8.397 2.433 ( 4.706 -1.474 -2.494) 5.526 2.433 ( 4.706 1.474 -2.494) 5.526 2.618 ( -4.940 -12.000 4.875) 13.863 2.618 ( -4.940 12.000 4.875) 13.863 2.799 ( -1.892 -4.312 0.510) 4.737 2.799 ( -1.892 4.312 0.510) 4.737 2.953 ( -2.088 -3.402 -1.850) 4.400 2.953 ( -2.088 3.402 -1.850) 4.400 3.051 ( 2.132 -4.885 -4.764) 7.149 3.051 ( 2.132 4.885 -4.764) 7.149 3.268 ( 2.075 -8.227 -5.314) 10.011 3.268 ( 2.075 8.227 -5.314) 10.011 3.321 ( -1.217 -6.179 -0.711) 6.338 3.321 ( -1.217 6.179 -0.711) 6.338 3.432 ( -0.834 -2.795 1.514) 3.286 3.432 ( -0.834 2.795 1.514) 3.286 3.705 ( 3.327 -2.612 -1.833) 4.610 3.705 ( 3.327 2.612 -1.833) 4.610 3.962 ( -9.724 -8.850 4.309) 13.836 3.962 ( -9.724 8.850 4.309) 13.836 4.069 ( -11.282 -1.640 2.642) 11.703 4.069 ( -11.282 1.640 2.642) 11.703 4.480 ( -6.650 -5.784 1.306) 8.910 4.480 ( -6.650 5.784 1.306) 8.910 4.548 ( 2.099 -6.266 -1.657) 6.812 4.548 ( 2.099 6.266 -1.657) 6.812 4.877 ( -4.912 -2.125 0.716) 5.400 4.877 ( -4.912 2.125 0.716) 5.400 5.154 ( 4.478 -4.125 -1.022) 6.174 5.154 ( 4.478 4.125 -1.022) 6.174 5.385 ( 6.977 -7.732 0.800) 10.445 5.385 ( 6.977 7.732 0.800) 10.445 5.623 ( 3.817 -2.896 0.341) 4.803 5.623 ( 3.817 2.896 0.341) 4.803 6.094 ( -3.605 -1.049 2.341) 4.425 6.094 ( -3.605 1.049 2.341) 4.425 6.610 ( 0.454 -2.400 -2.629) 3.589 6.610 ( 0.454 2.400 -2.629) 3.589 7.662 ( -1.295 -2.472 1.655) 3.245 7.662 ( -1.295 2.472 1.655) 3.245 7.819 ( -0.856 -5.614 -3.516) 6.680 7.819 ( -0.856 5.614 -3.516) 6.680 7.972 ( 6.853 -2.467 0.603) 7.309 7.972 ( 6.853 2.467 0.603) 7.309 8.156 ( 4.264 -1.866 -2.285) 5.185 8.156 ( 4.264 1.866 -2.285) 5.185 8.446 ( 6.870 -6.257 -2.995) 9.763 8.446 ( 6.870 6.257 -2.995) 9.763 8.633 ( 3.105 -2.073 0.704) 3.800 8.633 ( 3.105 2.073 0.704) 3.800 9.010 ( -6.156 -5.729 1.897) 8.620 9.010 ( -6.156 5.729 1.897) 8.620 9.095 ( -5.645 -4.332 2.350) 7.493 9.095 ( -5.645 4.332 2.350) 7.493 9.248 ( -0.067 -3.934 0.566) 3.975 9.248 ( -0.067 3.934 0.566) 3.975 9.495 ( -1.002 -1.592 1.246) 2.257 9.495 ( -1.002 1.592 1.246) 2.257 9.862 ( 5.953 -2.750 5.582) 8.611 9.862 ( 5.953 2.750 5.582) 8.611 10.017 ( 2.279 -8.108 7.925) 11.564 10.017 ( 2.279 8.108 7.925) 11.564 10.213 ( -1.649 -2.013 -2.509) 3.615 10.213 ( -1.649 2.013 -2.509) 3.615 10.535 ( 8.426 -2.854 -16.985) 19.173 10.535 ( 8.426 2.854 -16.985) 19.173 11.421 ( -9.408 -3.133 0.162) 9.918 11.421 ( -9.408 3.133 0.162) 9.918 11.721 ( -0.312 -3.410 8.508) 9.171 11.721 ( -0.312 3.410 8.508) 9.171 12.182 ( -1.472 -6.899 -0.129) 7.056 12.182 ( -1.472 6.899 -0.129) 7.056 12.383 ( -3.220 -2.288 -2.104) 4.476 12.383 ( -3.220 2.288 -2.104) 4.476 12.552 ( -4.004 -2.333 -1.990) 5.044 12.552 ( -4.004 2.334 -1.990) 5.044 13.027 ( 6.352 -10.786 2.581) 12.781 13.027 ( 6.352 10.786 2.581) 12.781 13.748 ( -4.936 -5.237 3.488) 7.998 13.748 ( -4.936 5.237 3.488) 7.998 13.823 ( -5.703 -4.669 -3.892) 8.335 13.823 ( -5.703 4.669 -3.892) 8.335 14.565 ( 9.741 -3.050 1.686) 10.346 14.565 ( 9.741 3.050 1.686) 10.346 14.696 ( 0.629 -8.095 -4.769) 9.417 14.696 ( 0.629 8.095 -4.769) 9.417 14.933 ( -2.073 -2.784 0.280) 3.483 14.933 ( -2.073 2.784 0.280) 3.483 15.458 ( -1.189 -3.404 -1.906) 4.078 15.458 ( -1.189 3.404 -1.906) 4.078 17.666 ( 0.729 -2.410 12.685) 12.932 17.666 ( 0.729 2.410 12.685) 12.932 17.997 ( 0.665 -0.871 -8.308) 8.380 17.997 ( 0.665 0.871 -8.308) 8.380 19.319 ( 4.318 -2.536 2.348) 5.531 19.319 ( 4.318 2.536 2.348) 5.531 19.416 ( 2.449 -3.293 -1.988) 4.560 19.416 ( 2.449 3.293 -1.988) 4.560 21.844 ( 6.876 -3.777 0.407) 7.855 21.844 ( 6.876 3.777 0.407) 7.855 22.631 ( 7.477 -1.675 -0.199) 7.665 22.631 ( 7.477 1.675 -0.199) 7.665 23.621 ( -11.431 -3.018 1.352) 11.900 23.621 ( -11.431 3.018 1.352) 11.900 24.446 ( -7.673 -2.134 -2.830) 8.452 24.446 ( -7.673 2.134 -2.830) 8.452 ======================= Grid point 166 (90/90) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 3.439 -7.866 8.951) 12.402 2.311 ( 3.439 7.866 8.951) 12.402 2.489 ( 0.980 -10.418 5.948) 12.036 2.489 ( 0.980 10.418 5.948) 12.036 2.545 ( -0.838 -8.147 -4.164) 9.188 2.545 ( -0.838 8.147 -4.164) 9.188 2.757 ( -1.704 -3.054 -0.808) 3.589 2.757 ( -1.704 3.054 -0.808) 3.589 2.922 ( -1.176 -1.798 -4.051) 4.585 2.922 ( -1.176 1.798 -4.051) 4.585 3.131 ( 5.567 -3.753 -4.963) 8.348 3.131 ( 5.567 3.753 -4.963) 8.348 3.226 ( -5.414 -6.714 -3.403) 9.273 3.226 ( -5.414 6.714 -3.403) 9.273 3.353 ( 3.318 -8.263 -3.240) 9.476 3.353 ( 3.318 8.263 -3.240) 9.476 3.412 ( -1.663 -5.135 1.491) 5.599 3.412 ( -1.663 5.135 1.491) 5.599 3.656 ( -8.772 -6.960 1.587) 11.310 3.656 ( -8.772 6.960 1.587) 11.310 3.842 ( -1.301 -3.843 4.824) 6.303 3.842 ( -1.301 3.843 4.824) 6.303 3.937 ( -1.432 -3.351 0.836) 3.738 3.937 ( -1.432 3.351 0.836) 3.738 4.344 ( -4.051 -6.889 -2.149) 8.276 4.344 ( -4.051 6.889 -2.149) 8.276 4.515 ( -8.425 -2.010 2.912) 9.138 4.515 ( -8.425 2.010 2.912) 9.138 4.863 ( 4.579 -2.099 -2.815) 5.770 4.863 ( 4.579 2.099 -2.815) 5.770 5.252 ( 4.804 -5.342 -0.919) 7.243 5.252 ( 4.804 5.342 -0.919) 7.243 5.438 ( -1.717 -7.514 3.584) 8.500 5.438 ( -1.717 7.514 3.584) 8.500 5.698 ( 3.693 -4.224 -0.764) 5.663 5.698 ( 3.693 4.224 -0.764) 5.663 6.053 ( -0.636 -0.959 1.304) 1.739 6.053 ( -0.636 0.959 1.304) 1.739 6.606 ( -0.571 -2.396 -1.381) 2.824 6.606 ( -0.571 2.396 -1.381) 2.824 7.580 ( -4.882 -1.681 -1.552) 5.392 7.580 ( -4.882 1.681 -1.552) 5.392 7.892 ( 6.619 -6.517 2.300) 9.569 7.892 ( 6.619 6.517 2.300) 9.569 8.101 ( 5.245 -3.164 1.937) 6.425 8.101 ( 5.245 3.164 1.937) 6.425 8.224 ( 1.942 -1.468 -5.473) 5.991 8.224 ( 1.942 1.468 -5.473) 5.991 8.568 ( 2.377 -4.087 -2.794) 5.492 8.568 ( 2.377 4.087 -2.794) 5.492 8.660 ( 2.380 -5.548 2.842) 6.672 8.660 ( 2.380 5.548 2.842) 6.672 8.867 ( -6.232 -5.713 1.688) 8.621 8.867 ( -6.232 5.713 1.688) 8.621 9.048 ( 0.280 -3.237 0.539) 3.294 9.048 ( 0.280 3.237 0.539) 3.294 9.260 ( -0.494 -4.549 -0.747) 4.636 9.260 ( -0.494 4.549 -0.747) 4.636 9.456 ( -2.215 -3.957 0.987) 4.641 9.456 ( -2.215 3.957 0.987) 4.641 9.982 ( 5.048 -3.164 3.941) 7.143 9.982 ( 5.048 3.164 3.941) 7.143 10.083 ( 3.935 -7.726 3.576) 9.379 10.083 ( 3.935 7.726 3.576) 9.379 10.206 ( 1.769 -2.506 3.094) 4.357 10.206 ( 1.769 2.506 3.094) 4.357 10.656 ( 3.755 -2.387 -13.834) 14.532 10.656 ( 3.755 2.387 -13.834) 14.532 11.235 ( -9.048 -2.540 -1.747) 9.559 11.235 ( -9.048 2.540 -1.747) 9.559 11.711 ( -0.372 -2.600 12.495) 12.768 11.711 ( -0.372 2.600 12.495) 12.768 12.135 ( -3.116 -7.683 -7.365) 11.090 12.135 ( -3.116 7.683 -7.365) 11.090 12.326 ( -2.581 -0.715 -3.044) 4.054 12.326 ( -2.581 0.715 -3.044) 4.054 12.471 ( -3.696 -2.403 -0.431) 4.429 12.471 ( -3.696 2.403 -0.431) 4.429 13.114 ( 2.508 -7.892 2.650) 8.695 13.114 ( 2.508 7.892 2.650) 8.695 13.711 ( 1.076 -2.961 1.614) 3.540 13.711 ( 1.076 2.961 1.614) 3.540 13.788 ( 1.585 -4.222 -1.158) 4.656 13.788 ( 1.585 4.222 -1.158) 4.656 14.545 ( -10.257 -3.843 -4.163) 11.718 14.545 ( -10.257 3.843 -4.163) 11.718 14.732 ( 5.975 -4.438 3.566) 8.253 14.732 ( 5.975 4.438 3.566) 8.253 14.986 ( 3.192 -3.035 1.117) 4.544 14.986 ( 3.192 3.035 1.117) 4.544 15.432 ( -0.783 -1.737 -3.284) 3.797 15.432 ( -0.783 1.737 -3.284) 3.797 17.688 ( 1.029 -2.626 12.371) 12.689 17.688 ( 1.029 2.626 12.371) 12.689 18.012 ( 0.964 -1.788 -8.281) 8.527 18.012 ( 0.964 1.788 -8.281) 8.527 19.401 ( 3.384 -2.705 2.996) 5.267 19.401 ( 3.384 2.705 2.996) 5.267 19.462 ( 2.222 -2.347 -2.566) 4.127 19.462 ( 2.222 2.347 -2.566) 4.127 21.997 ( 8.119 -3.494 0.702) 8.867 21.997 ( 8.119 3.494 0.702) 8.867 22.727 ( 0.742 -3.709 -0.502) 3.815 22.727 ( 0.742 3.709 -0.502) 3.815 23.436 ( -5.512 -4.796 0.406) 7.317 23.436 ( -5.512 4.796 0.406) 7.317 24.283 ( -8.065 -1.564 -2.130) 8.487 24.283 ( -8.065 1.564 -2.130) 8.487 =================== 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 3/30240 10.0 1415.647 1893.412 1432.552 0.000 20.640 0.000 3/30240 20.0 475.257 425.931 392.457 0.000 3.055 0.000 3/30240 30.0 182.842 159.395 150.179 0.000 2.647 0.000 3/30240 40.0 97.425 85.430 80.459 0.000 1.532 0.000 3/30240 50.0 62.204 54.835 51.446 0.000 0.933 0.000 3/30240 60.0 44.027 38.934 36.415 0.000 0.619 0.000 3/30240 70.0 33.228 29.449 27.483 0.000 0.445 0.000 3/30240 80.0 26.222 23.283 21.693 0.000 0.341 0.000 3/30240 90.0 21.400 19.033 17.709 0.000 0.274 0.000 3/30240 100.0 17.933 15.975 14.846 0.000 0.228 0.000 3/30240 110.0 15.352 13.697 12.714 0.000 0.195 0.000 3/30240 120.0 13.377 11.950 11.082 0.000 0.171 0.000 3/30240 130.0 11.827 10.578 9.802 0.000 0.151 0.000 3/30240 140.0 10.585 9.478 8.776 0.000 0.136 0.000 3/30240 150.0 9.572 8.579 7.939 0.000 0.123 0.000 3/30240 160.0 8.732 7.833 7.245 0.000 0.112 0.000 3/30240 170.0 8.027 7.205 6.662 0.000 0.103 0.000 3/30240 180.0 7.427 6.670 6.165 0.000 0.096 0.000 3/30240 190.0 6.911 6.210 5.739 0.000 0.089 0.000 3/30240 200.0 6.462 5.810 5.368 0.000 0.083 0.000 3/30240 210.0 6.069 5.458 5.043 0.000 0.078 0.000 3/30240 220.0 5.723 5.148 4.756 0.000 0.074 0.000 3/30240 230.0 5.414 4.872 4.501 0.000 0.070 0.000 3/30240 240.0 5.138 4.624 4.272 0.000 0.066 0.000 3/30240 250.0 4.890 4.401 4.067 0.000 0.063 0.000 3/30240 260.0 4.665 4.200 3.880 0.000 0.060 0.000 3/30240 270.0 4.461 4.016 3.711 0.000 0.057 0.000 3/30240 280.0 4.275 3.848 3.556 0.000 0.055 0.000 3/30240 290.0 4.104 3.694 3.414 0.000 0.053 0.000 3/30240 300.0 3.946 3.553 3.284 0.000 0.050 0.000 3/30240 310.0 3.801 3.422 3.163 0.000 0.049 0.000 3/30240 320.0 3.666 3.301 3.052 0.000 0.047 0.000 3/30240 330.0 3.541 3.188 2.948 0.000 0.045 0.000 3/30240 340.0 3.425 3.083 2.851 0.000 0.044 0.000 3/30240 350.0 3.316 2.985 2.760 0.000 0.042 0.000 3/30240 360.0 3.214 2.893 2.676 0.000 0.041 0.000 3/30240 370.0 3.119 2.807 2.596 0.000 0.040 0.000 3/30240 380.0 3.029 2.725 2.522 0.000 0.038 0.000 3/30240 390.0 2.944 2.649 2.451 0.000 0.037 0.000 3/30240 400.0 2.864 2.577 2.385 0.000 0.036 0.000 3/30240 410.0 2.789 2.509 2.322 0.000 0.035 0.000 3/30240 420.0 2.717 2.444 2.262 0.000 0.034 0.000 3/30240 430.0 2.649 2.383 2.206 0.000 0.034 0.000 3/30240 440.0 2.585 2.325 2.152 0.000 0.033 0.000 3/30240 450.0 2.523 2.269 2.101 0.000 0.032 0.000 3/30240 460.0 2.465 2.217 2.052 0.000 0.031 0.000 3/30240 470.0 2.409 2.167 2.006 0.000 0.030 0.000 3/30240 480.0 2.356 2.119 1.962 0.000 0.030 0.000 3/30240 490.0 2.305 2.073 1.920 0.000 0.029 0.000 3/30240 500.0 2.257 2.029 1.879 0.000 0.028 0.000 3/30240 510.0 2.210 1.987 1.840 0.000 0.028 0.000 3/30240 520.0 2.166 1.947 1.803 0.000 0.027 0.000 3/30240 530.0 2.123 1.908 1.767 0.000 0.027 0.000 3/30240 540.0 2.082 1.871 1.733 0.000 0.026 0.000 3/30240 550.0 2.042 1.835 1.700 0.000 0.026 0.000 3/30240 560.0 2.004 1.801 1.669 0.000 0.025 0.000 3/30240 570.0 1.968 1.768 1.638 0.000 0.025 0.000 3/30240 580.0 1.932 1.736 1.609 0.000 0.024 0.000 3/30240 590.0 1.898 1.706 1.580 0.000 0.024 0.000 3/30240 600.0 1.865 1.676 1.553 0.000 0.023 0.000 3/30240 610.0 1.834 1.647 1.527 0.000 0.023 0.000 3/30240 620.0 1.803 1.620 1.501 0.000 0.023 0.000 3/30240 630.0 1.774 1.593 1.477 0.000 0.022 0.000 3/30240 640.0 1.745 1.567 1.453 0.000 0.022 0.000 3/30240 650.0 1.717 1.543 1.430 0.000 0.021 0.000 3/30240 660.0 1.691 1.518 1.407 0.000 0.021 0.000 3/30240 670.0 1.665 1.495 1.386 0.000 0.021 0.000 3/30240 680.0 1.639 1.472 1.365 0.000 0.020 0.000 3/30240 690.0 1.615 1.450 1.344 0.000 0.020 0.000 3/30240 700.0 1.591 1.429 1.325 0.000 0.020 0.000 3/30240 710.0 1.568 1.408 1.306 0.000 0.020 0.000 3/30240 720.0 1.546 1.388 1.287 0.000 0.019 0.000 3/30240 730.0 1.524 1.369 1.269 0.000 0.019 0.000 3/30240 740.0 1.503 1.350 1.251 0.000 0.019 0.000 3/30240 750.0 1.483 1.331 1.234 0.000 0.019 0.000 3/30240 760.0 1.463 1.313 1.218 0.000 0.018 0.000 3/30240 770.0 1.443 1.296 1.202 0.000 0.018 0.000 3/30240 780.0 1.424 1.279 1.186 0.000 0.018 0.000 3/30240 790.0 1.406 1.262 1.170 0.000 0.018 0.000 3/30240 800.0 1.388 1.246 1.156 0.000 0.017 0.000 3/30240 810.0 1.371 1.230 1.141 0.000 0.017 0.000 3/30240 820.0 1.354 1.215 1.127 0.000 0.017 0.000 3/30240 830.0 1.337 1.200 1.113 0.000 0.017 0.000 3/30240 840.0 1.321 1.186 1.099 0.000 0.016 0.000 3/30240 850.0 1.305 1.171 1.086 0.000 0.016 0.000 3/30240 860.0 1.290 1.157 1.073 0.000 0.016 0.000 3/30240 870.0 1.275 1.144 1.061 0.000 0.016 0.000 3/30240 880.0 1.260 1.131 1.049 0.000 0.016 0.000 3/30240 890.0 1.245 1.118 1.037 0.000 0.015 0.000 3/30240 900.0 1.231 1.105 1.025 0.000 0.015 0.000 3/30240 910.0 1.218 1.093 1.014 0.000 0.015 0.000 3/30240 920.0 1.204 1.081 1.002 0.000 0.015 0.000 3/30240 930.0 1.191 1.069 0.991 0.000 0.015 0.000 3/30240 940.0 1.178 1.057 0.981 0.000 0.015 0.000 3/30240 950.0 1.166 1.046 0.970 0.000 0.014 0.000 3/30240 960.0 1.153 1.035 0.960 0.000 0.014 0.000 3/30240 970.0 1.141 1.024 0.950 0.000 0.014 0.000 3/30240 980.0 1.130 1.014 0.940 0.000 0.014 0.000 3/30240 990.0 1.118 1.003 0.931 0.000 0.014 0.000 3/30240 1000.0 1.107 0.993 0.921 0.000 0.014 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:10:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|